USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 713 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 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 55 HIS : no HD1:sc= -2.96! C(o=-3!,f=-5.4!) USER MOD Set 2.1: A 49 LYS NZ :NH3+ -178:sc= 1.12 (180deg=1.09) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= -0.917 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0219 (180deg=-0.208) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0696 USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= -0.0344 (180deg=-0.309) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.23 K(o=-1.2,f=-4.7!) USER MOD Single : A 13 MET CE :methyl 139:sc= -8.08! (180deg=-10.9!) USER MOD Single : A 14 SER OG : rot -51:sc= 1.21 USER MOD Single : A 17 MET CE :methyl -122:sc= -6.76! (180deg=-13.2!) USER MOD Single : A 18 GLN : amide:sc= -5.54! C(o=-5.5!,f=-11!) USER MOD Single : A 19 GLN : amide:sc= -0.027 X(o=-0.027,f=-0.027) USER MOD Single : A 24 CYS SG : rot 177:sc= -1.94! USER MOD Single : A 26 THR OG1 : rot 67:sc= 0.999 USER MOD Single : A 27 GLN : amide:sc= -4.19! C(o=-4.2!,f=-7.7!) USER MOD Single : A 29 MET CE :methyl -176:sc= -1.71 (180deg=-1.82) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= -0.681 (180deg=-2.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.716 K(o=-0.72,f=-2.9) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0481 (180deg=-0.312) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0566 (180deg=-0.292) USER MOD Single : A 51 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.1) USER MOD Single : A 56 CYS SG : rot 23:sc= -1.01 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.1! C(o=-4.7!,f=-1.1!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 65 TYR OH : rot 15:sc= -1.51! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0502 USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -0.0335 (180deg=-0.278) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 92:sc= -5.67! USER MOD Single : A 77 TYR OH : rot 180:sc= -2.06 USER MOD Single : A 80 GLN : amide:sc= -8.72! C(o=-8.7!,f=-20!) USER MOD Single : A 87 LYS NZ :NH3+ 134:sc= -0.116 (180deg=-0.556) USER MOD Single : A 88 SER OG : rot 56:sc= 0.511 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.500 15.057 9.548 1.00 0.00 N ATOM 2 CA MET A 1 13.439 15.860 10.211 1.00 0.00 C ATOM 3 C MET A 1 12.264 16.109 9.269 1.00 0.00 C ATOM 4 O MET A 1 11.124 16.258 9.707 1.00 0.00 O ATOM 5 CB MET A 1 14.044 17.189 10.664 1.00 0.00 C ATOM 6 CG MET A 1 13.053 18.099 11.369 1.00 0.00 C ATOM 7 SD MET A 1 13.792 19.660 11.887 1.00 0.00 S ATOM 8 CE MET A 1 12.388 20.461 12.661 1.00 0.00 C ATOM 0 H1 MET A 1 15.176 14.717 10.262 1.00 0.00 H new ATOM 0 H2 MET A 1 14.069 14.243 9.065 1.00 0.00 H new ATOM 0 H3 MET A 1 14.999 15.648 8.853 1.00 0.00 H new ATOM 0 HA MET A 1 13.058 15.308 11.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.880 16.988 11.334 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.448 17.709 9.796 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.214 18.302 10.703 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.650 17.585 12.242 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.688 21.441 13.033 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.588 20.579 11.930 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.033 19.851 13.491 1.00 0.00 H new ATOM 20 N SER A 2 12.553 16.153 7.972 1.00 0.00 N ATOM 21 CA SER A 2 11.522 16.383 6.969 1.00 0.00 C ATOM 22 C SER A 2 11.743 15.495 5.749 1.00 0.00 C ATOM 23 O SER A 2 12.839 14.976 5.537 1.00 0.00 O ATOM 24 CB SER A 2 11.508 17.854 6.548 1.00 0.00 C ATOM 25 OG SER A 2 10.509 18.097 5.573 1.00 0.00 O ATOM 0 H SER A 2 13.492 16.032 7.592 1.00 0.00 H new ATOM 0 HA SER A 2 10.558 16.130 7.411 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.330 18.483 7.420 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.484 18.131 6.149 1.00 0.00 H new ATOM 0 HG SER A 2 10.520 19.044 5.322 1.00 0.00 H new ATOM 31 N ASP A 3 10.695 15.322 4.950 1.00 0.00 N ATOM 32 CA ASP A 3 10.775 14.496 3.751 1.00 0.00 C ATOM 33 C ASP A 3 11.141 13.058 4.110 1.00 0.00 C ATOM 34 O ASP A 3 12.285 12.636 3.933 1.00 0.00 O ATOM 35 CB ASP A 3 11.805 15.072 2.777 1.00 0.00 C ATOM 36 CG ASP A 3 11.916 14.260 1.499 1.00 0.00 C ATOM 37 OD1 ASP A 3 11.193 13.249 1.371 1.00 0.00 O ATOM 38 OD2 ASP A 3 12.727 14.636 0.626 1.00 0.00 O ATOM 0 H ASP A 3 9.780 15.743 5.111 1.00 0.00 H new ATOM 0 HA ASP A 3 9.796 14.495 3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.532 16.098 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.779 15.111 3.265 1.00 0.00 H new ATOM 43 N ARG A 4 10.166 12.313 4.617 1.00 0.00 N ATOM 44 CA ARG A 4 10.386 10.923 5.002 1.00 0.00 C ATOM 45 C ARG A 4 9.809 9.975 3.960 1.00 0.00 C ATOM 46 O ARG A 4 10.419 8.960 3.624 1.00 0.00 O ATOM 47 CB ARG A 4 9.749 10.647 6.365 1.00 0.00 C ATOM 48 CG ARG A 4 10.236 11.578 7.460 1.00 0.00 C ATOM 49 CD ARG A 4 9.586 11.255 8.797 1.00 0.00 C ATOM 50 NE ARG A 4 9.892 9.897 9.242 1.00 0.00 N ATOM 51 CZ ARG A 4 11.110 9.484 9.586 1.00 0.00 C ATOM 52 NH1 ARG A 4 12.133 10.331 9.585 1.00 0.00 N ATOM 53 NH2 ARG A 4 11.305 8.222 9.947 1.00 0.00 N ATOM 0 H ARG A 4 9.215 12.648 4.771 1.00 0.00 H new ATOM 0 HA ARG A 4 11.461 10.753 5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.666 10.738 6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.960 9.617 6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.319 11.498 7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.015 12.610 7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.928 11.968 9.548 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.506 11.374 8.713 1.00 0.00 H new ATOM 0 HE ARG A 4 9.126 9.225 9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.988 11.305 9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.063 10.007 9.850 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.522 7.569 9.961 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.238 7.905 10.211 1.00 0.00 H new ATOM 67 N LYS A 5 8.627 10.316 3.456 1.00 0.00 N ATOM 68 CA LYS A 5 7.946 9.503 2.448 1.00 0.00 C ATOM 69 C LYS A 5 8.009 8.017 2.795 1.00 0.00 C ATOM 70 O LYS A 5 8.354 7.184 1.954 1.00 0.00 O ATOM 71 CB LYS A 5 8.552 9.749 1.061 1.00 0.00 C ATOM 72 CG LYS A 5 10.034 9.422 0.968 1.00 0.00 C ATOM 73 CD LYS A 5 10.561 9.635 -0.440 1.00 0.00 C ATOM 74 CE LYS A 5 12.048 9.332 -0.530 1.00 0.00 C ATOM 75 NZ LYS A 5 12.849 10.206 0.370 1.00 0.00 N ATOM 0 H LYS A 5 8.116 11.155 3.730 1.00 0.00 H new ATOM 0 HA LYS A 5 6.898 9.802 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.011 9.150 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.403 10.794 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.591 10.048 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.199 8.387 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.016 8.996 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.379 10.665 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.222 8.288 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.384 9.465 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.855 10.140 0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.530 11.191 0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.722 9.898 1.355 1.00 0.00 H new ATOM 89 N ALA A 6 7.672 7.694 4.039 1.00 0.00 N ATOM 90 CA ALA A 6 7.688 6.312 4.506 1.00 0.00 C ATOM 91 C ALA A 6 7.211 6.223 5.952 1.00 0.00 C ATOM 92 O ALA A 6 7.965 6.512 6.880 1.00 0.00 O ATOM 93 CB ALA A 6 9.085 5.723 4.372 1.00 0.00 C ATOM 0 H ALA A 6 7.384 8.372 4.744 1.00 0.00 H new ATOM 0 HA ALA A 6 7.004 5.734 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.080 4.692 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.392 5.748 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.785 6.307 4.969 1.00 0.00 H new ATOM 99 N VAL A 7 5.956 5.827 6.137 1.00 0.00 N ATOM 100 CA VAL A 7 5.387 5.710 7.473 1.00 0.00 C ATOM 101 C VAL A 7 4.356 4.588 7.549 1.00 0.00 C ATOM 102 O VAL A 7 3.749 4.216 6.545 1.00 0.00 O ATOM 103 CB VAL A 7 4.724 7.031 7.916 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.214 6.927 9.345 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.699 8.190 7.772 1.00 0.00 C ATOM 0 H VAL A 7 5.316 5.583 5.381 1.00 0.00 H new ATOM 0 HA VAL A 7 6.214 5.477 8.144 1.00 0.00 H new ATOM 0 HB VAL A 7 3.869 7.220 7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.751 7.870 9.635 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.478 6.126 9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.047 6.711 10.014 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.215 9.114 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.575 8.008 8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.006 8.280 6.730 1.00 0.00 H new ATOM 115 N ILE A 8 4.161 4.060 8.753 1.00 0.00 N ATOM 116 CA ILE A 8 3.201 2.986 8.984 1.00 0.00 C ATOM 117 C ILE A 8 2.288 3.323 10.161 1.00 0.00 C ATOM 118 O ILE A 8 2.757 3.568 11.271 1.00 0.00 O ATOM 119 CB ILE A 8 3.913 1.642 9.264 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.578 1.099 7.996 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.933 0.613 9.817 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.491 -0.072 8.268 1.00 0.00 C ATOM 0 H ILE A 8 4.660 4.361 9.590 1.00 0.00 H new ATOM 0 HA ILE A 8 2.606 2.886 8.077 1.00 0.00 H new ATOM 0 HB ILE A 8 4.685 1.827 10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.806 0.795 7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.150 1.897 7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.457 -0.324 10.006 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.504 0.983 10.748 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.136 0.443 9.093 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.933 -0.414 7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.282 0.235 8.953 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.918 -0.884 8.716 1.00 0.00 H new ATOM 134 N LYS A 9 0.984 3.325 9.912 1.00 0.00 N ATOM 135 CA LYS A 9 0.009 3.623 10.955 1.00 0.00 C ATOM 136 C LYS A 9 -0.360 2.355 11.717 1.00 0.00 C ATOM 137 O LYS A 9 -0.650 2.397 12.913 1.00 0.00 O ATOM 138 CB LYS A 9 -1.243 4.257 10.351 1.00 0.00 C ATOM 139 CG LYS A 9 -0.973 5.574 9.639 1.00 0.00 C ATOM 140 CD LYS A 9 -2.251 6.183 9.089 1.00 0.00 C ATOM 141 CE LYS A 9 -2.922 5.263 8.082 1.00 0.00 C ATOM 142 NZ LYS A 9 -4.168 5.860 7.527 1.00 0.00 N ATOM 0 H LYS A 9 0.577 3.124 8.998 1.00 0.00 H new ATOM 0 HA LYS A 9 0.457 4.331 11.652 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.691 3.557 9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.974 4.424 11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.504 6.273 10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.267 5.410 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.939 6.389 9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.025 7.138 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.229 5.048 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.157 4.312 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.595 5.201 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.840 6.041 8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.941 6.755 7.048 1.00 0.00 H new ATOM 156 N ASN A 10 -0.339 1.227 11.015 1.00 0.00 N ATOM 157 CA ASN A 10 -0.660 -0.062 11.615 1.00 0.00 C ATOM 158 C ASN A 10 -0.531 -1.180 10.586 1.00 0.00 C ATOM 159 O ASN A 10 -1.322 -1.270 9.648 1.00 0.00 O ATOM 160 CB ASN A 10 -2.075 -0.047 12.196 1.00 0.00 C ATOM 161 CG ASN A 10 -2.449 -1.374 12.829 1.00 0.00 C ATOM 162 OD1 ASN A 10 -2.519 -2.398 12.151 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.683 -1.362 14.134 1.00 0.00 N ATOM 0 H ASN A 10 -0.101 1.180 10.024 1.00 0.00 H new ATOM 0 HA ASN A 10 0.049 -0.246 12.422 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.151 0.744 12.942 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.788 0.190 11.406 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.933 -2.226 14.615 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.613 -0.489 14.657 1.00 0.00 H new ATOM 170 N ALA A 11 0.473 -2.028 10.768 1.00 0.00 N ATOM 171 CA ALA A 11 0.708 -3.137 9.852 1.00 0.00 C ATOM 172 C ALA A 11 1.480 -4.261 10.534 1.00 0.00 C ATOM 173 O ALA A 11 2.343 -4.013 11.374 1.00 0.00 O ATOM 174 CB ALA A 11 1.459 -2.651 8.622 1.00 0.00 C ATOM 0 H ALA A 11 1.137 -1.969 11.540 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.260 -3.533 9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.629 -3.488 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.870 -1.887 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.417 -2.229 8.924 1.00 0.00 H new ATOM 180 N ASP A 12 1.163 -5.497 10.164 1.00 0.00 N ATOM 181 CA ASP A 12 1.830 -6.656 10.741 1.00 0.00 C ATOM 182 C ASP A 12 2.023 -7.748 9.685 1.00 0.00 C ATOM 183 O ASP A 12 2.247 -8.910 10.016 1.00 0.00 O ATOM 184 CB ASP A 12 1.014 -7.194 11.922 1.00 0.00 C ATOM 185 CG ASP A 12 1.794 -8.167 12.789 1.00 0.00 C ATOM 186 OD1 ASP A 12 2.157 -9.253 12.293 1.00 0.00 O ATOM 187 OD2 ASP A 12 2.040 -7.839 13.970 1.00 0.00 O ATOM 0 H ASP A 12 0.450 -5.721 9.469 1.00 0.00 H new ATOM 0 HA ASP A 12 2.813 -6.351 11.100 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.679 -6.358 12.536 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.120 -7.690 11.543 1.00 0.00 H new ATOM 192 N MET A 13 1.929 -7.369 8.411 1.00 0.00 N ATOM 193 CA MET A 13 2.089 -8.330 7.323 1.00 0.00 C ATOM 194 C MET A 13 3.534 -8.821 7.210 1.00 0.00 C ATOM 195 O MET A 13 4.212 -8.573 6.213 1.00 0.00 O ATOM 196 CB MET A 13 1.637 -7.715 6.000 1.00 0.00 C ATOM 197 CG MET A 13 1.726 -8.672 4.825 1.00 0.00 C ATOM 198 SD MET A 13 0.680 -10.122 5.029 1.00 0.00 S ATOM 199 CE MET A 13 -0.931 -9.354 5.111 1.00 0.00 C ATOM 0 H MET A 13 1.745 -6.412 8.110 1.00 0.00 H new ATOM 0 HA MET A 13 1.461 -9.192 7.550 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.608 -7.371 6.101 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.247 -6.836 5.790 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.440 -8.148 3.913 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.761 -8.990 4.699 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.646 -9.947 4.541 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.254 -9.296 6.150 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.877 -8.349 4.692 1.00 0.00 H new ATOM 209 N SER A 14 3.991 -9.537 8.233 1.00 0.00 N ATOM 210 CA SER A 14 5.343 -10.094 8.255 1.00 0.00 C ATOM 211 C SER A 14 6.432 -9.030 8.085 1.00 0.00 C ATOM 212 O SER A 14 7.594 -9.369 7.863 1.00 0.00 O ATOM 213 CB SER A 14 5.488 -11.151 7.161 1.00 0.00 C ATOM 214 OG SER A 14 6.789 -11.713 7.162 1.00 0.00 O ATOM 0 H SER A 14 3.440 -9.747 9.065 1.00 0.00 H new ATOM 0 HA SER A 14 5.482 -10.542 9.239 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.749 -11.938 7.311 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.283 -10.703 6.189 1.00 0.00 H new ATOM 0 HG SER A 14 7.456 -10.995 7.142 1.00 0.00 H new ATOM 220 N GLU A 15 6.069 -7.754 8.201 1.00 0.00 N ATOM 221 CA GLU A 15 7.035 -6.657 8.070 1.00 0.00 C ATOM 222 C GLU A 15 7.549 -6.500 6.638 1.00 0.00 C ATOM 223 O GLU A 15 7.564 -5.397 6.094 1.00 0.00 O ATOM 224 CB GLU A 15 8.213 -6.865 9.024 1.00 0.00 C ATOM 225 CG GLU A 15 7.803 -6.962 10.485 1.00 0.00 C ATOM 226 CD GLU A 15 8.986 -7.168 11.411 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.884 -6.299 11.429 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.015 -8.197 12.118 1.00 0.00 O ATOM 0 H GLU A 15 5.113 -7.451 8.386 1.00 0.00 H new ATOM 0 HA GLU A 15 6.509 -5.739 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.741 -7.776 8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.915 -6.040 8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.276 -6.052 10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.102 -7.788 10.608 1.00 0.00 H new ATOM 235 N ASP A 16 7.986 -7.599 6.039 1.00 0.00 N ATOM 236 CA ASP A 16 8.516 -7.574 4.676 1.00 0.00 C ATOM 237 C ASP A 16 7.619 -6.772 3.738 1.00 0.00 C ATOM 238 O ASP A 16 8.107 -6.085 2.841 1.00 0.00 O ATOM 239 CB ASP A 16 8.686 -9.000 4.148 1.00 0.00 C ATOM 240 CG ASP A 16 9.266 -9.036 2.746 1.00 0.00 C ATOM 241 OD1 ASP A 16 8.638 -8.467 1.830 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.348 -9.634 2.567 1.00 0.00 O ATOM 0 H ASP A 16 7.985 -8.522 6.473 1.00 0.00 H new ATOM 0 HA ASP A 16 9.489 -7.083 4.708 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.337 -9.558 4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.719 -9.503 4.150 1.00 0.00 H new ATOM 247 N MET A 17 6.309 -6.856 3.946 1.00 0.00 N ATOM 248 CA MET A 17 5.367 -6.126 3.107 1.00 0.00 C ATOM 249 C MET A 17 5.351 -4.652 3.472 1.00 0.00 C ATOM 250 O MET A 17 5.030 -3.811 2.644 1.00 0.00 O ATOM 251 CB MET A 17 3.965 -6.733 3.201 1.00 0.00 C ATOM 252 CG MET A 17 3.915 -8.194 2.776 1.00 0.00 C ATOM 253 SD MET A 17 4.651 -8.481 1.155 1.00 0.00 S ATOM 254 CE MET A 17 4.452 -10.255 1.009 1.00 0.00 C ATOM 0 H MET A 17 5.879 -7.417 4.681 1.00 0.00 H new ATOM 0 HA MET A 17 5.697 -6.212 2.072 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.607 -6.647 4.227 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.283 -6.156 2.576 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.435 -8.801 3.518 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.877 -8.527 2.762 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.427 -10.720 0.864 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.995 -10.646 1.918 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.812 -10.480 0.156 1.00 0.00 H new ATOM 264 N GLN A 18 5.729 -4.332 4.701 1.00 0.00 N ATOM 265 CA GLN A 18 5.790 -2.943 5.116 1.00 0.00 C ATOM 266 C GLN A 18 6.901 -2.251 4.338 1.00 0.00 C ATOM 267 O GLN A 18 6.741 -1.131 3.856 1.00 0.00 O ATOM 268 CB GLN A 18 6.039 -2.857 6.616 1.00 0.00 C ATOM 269 CG GLN A 18 4.852 -3.330 7.437 1.00 0.00 C ATOM 270 CD GLN A 18 5.184 -3.501 8.900 1.00 0.00 C ATOM 271 OE1 GLN A 18 5.624 -2.566 9.568 1.00 0.00 O ATOM 272 NE2 GLN A 18 4.970 -4.706 9.408 1.00 0.00 N ATOM 0 H GLN A 18 5.994 -5.007 5.418 1.00 0.00 H new ATOM 0 HA GLN A 18 4.843 -2.446 4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.913 -3.457 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.272 -1.826 6.883 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.037 -2.613 7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.494 -4.279 7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.604 -5.451 8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.171 -4.888 10.391 1.00 0.00 H new ATOM 281 N GLN A 19 8.023 -2.952 4.192 1.00 0.00 N ATOM 282 CA GLN A 19 9.161 -2.431 3.456 1.00 0.00 C ATOM 283 C GLN A 19 8.987 -2.646 1.954 1.00 0.00 C ATOM 284 O GLN A 19 9.412 -1.817 1.146 1.00 0.00 O ATOM 285 CB GLN A 19 10.443 -3.103 3.941 1.00 0.00 C ATOM 286 CG GLN A 19 11.682 -2.667 3.185 1.00 0.00 C ATOM 287 CD GLN A 19 11.948 -1.179 3.305 1.00 0.00 C ATOM 288 OE1 GLN A 19 12.140 -0.659 4.404 1.00 0.00 O ATOM 289 NE2 GLN A 19 11.956 -0.485 2.172 1.00 0.00 N ATOM 0 H GLN A 19 8.164 -3.886 4.577 1.00 0.00 H new ATOM 0 HA GLN A 19 9.227 -1.358 3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.579 -2.885 5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.334 -4.184 3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.544 -3.217 3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.571 -2.928 2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.792 -0.958 1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.126 0.521 2.191 1.00 0.00 H new ATOM 298 N ASP A 20 8.359 -3.760 1.581 1.00 0.00 N ATOM 299 CA ASP A 20 8.134 -4.072 0.174 1.00 0.00 C ATOM 300 C ASP A 20 7.017 -3.204 -0.394 1.00 0.00 C ATOM 301 O ASP A 20 7.077 -2.759 -1.537 1.00 0.00 O ATOM 302 CB ASP A 20 7.788 -5.553 0.001 1.00 0.00 C ATOM 303 CG ASP A 20 7.592 -5.936 -1.453 1.00 0.00 C ATOM 304 OD1 ASP A 20 6.699 -5.357 -2.104 1.00 0.00 O ATOM 305 OD2 ASP A 20 8.332 -6.816 -1.940 1.00 0.00 O ATOM 0 H ASP A 20 7.999 -4.458 2.232 1.00 0.00 H new ATOM 0 HA ASP A 20 9.053 -3.862 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.584 -6.162 0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.879 -5.778 0.559 1.00 0.00 H new ATOM 310 N ALA A 21 6.000 -2.964 0.418 1.00 0.00 N ATOM 311 CA ALA A 21 4.874 -2.137 0.000 1.00 0.00 C ATOM 312 C ALA A 21 5.289 -0.672 -0.102 1.00 0.00 C ATOM 313 O ALA A 21 4.968 0.005 -1.079 1.00 0.00 O ATOM 314 CB ALA A 21 3.704 -2.291 0.960 1.00 0.00 C ATOM 0 H ALA A 21 5.929 -3.328 1.368 1.00 0.00 H new ATOM 0 HA ALA A 21 4.555 -2.475 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.876 -1.665 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.385 -3.333 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.011 -1.986 1.960 1.00 0.00 H new ATOM 320 N VAL A 22 6.008 -0.186 0.909 1.00 0.00 N ATOM 321 CA VAL A 22 6.461 1.201 0.916 1.00 0.00 C ATOM 322 C VAL A 22 7.344 1.502 -0.295 1.00 0.00 C ATOM 323 O VAL A 22 7.069 2.432 -1.053 1.00 0.00 O ATOM 324 CB VAL A 22 7.227 1.548 2.212 1.00 0.00 C ATOM 325 CG1 VAL A 22 7.818 2.950 2.137 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.309 1.421 3.418 1.00 0.00 C ATOM 0 H VAL A 22 6.287 -0.728 1.727 1.00 0.00 H new ATOM 0 HA VAL A 22 5.566 1.821 0.867 1.00 0.00 H new ATOM 0 HB VAL A 22 8.049 0.841 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.352 3.170 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.509 3.009 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.017 3.676 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.862 1.668 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.468 2.105 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.938 0.398 3.487 1.00 0.00 H new ATOM 336 N ASP A 23 8.406 0.720 -0.475 1.00 0.00 N ATOM 337 CA ASP A 23 9.313 0.929 -1.599 1.00 0.00 C ATOM 338 C ASP A 23 8.624 0.620 -2.920 1.00 0.00 C ATOM 339 O ASP A 23 8.990 1.169 -3.959 1.00 0.00 O ATOM 340 CB ASP A 23 10.588 0.092 -1.442 1.00 0.00 C ATOM 341 CG ASP A 23 10.317 -1.397 -1.405 1.00 0.00 C ATOM 342 OD1 ASP A 23 9.140 -1.787 -1.511 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.286 -2.173 -1.270 1.00 0.00 O ATOM 0 H ASP A 23 8.657 -0.057 0.137 1.00 0.00 H new ATOM 0 HA ASP A 23 9.599 1.981 -1.604 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.265 0.312 -2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.098 0.386 -0.525 1.00 0.00 H new ATOM 348 N CYS A 24 7.606 -0.229 -2.881 1.00 0.00 N ATOM 349 CA CYS A 24 6.862 -0.554 -4.087 1.00 0.00 C ATOM 350 C CYS A 24 6.009 0.643 -4.472 1.00 0.00 C ATOM 351 O CYS A 24 5.855 0.963 -5.652 1.00 0.00 O ATOM 352 CB CYS A 24 5.992 -1.794 -3.879 1.00 0.00 C ATOM 353 SG CYS A 24 5.043 -2.278 -5.336 1.00 0.00 S ATOM 0 H CYS A 24 7.280 -0.700 -2.037 1.00 0.00 H new ATOM 0 HA CYS A 24 7.561 -0.780 -4.892 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.629 -2.626 -3.580 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.303 -1.608 -3.055 1.00 0.00 H new ATOM 0 HG CYS A 24 4.384 -3.370 -5.082 1.00 0.00 H new ATOM 359 N ALA A 25 5.490 1.325 -3.458 1.00 0.00 N ATOM 360 CA ALA A 25 4.689 2.515 -3.673 1.00 0.00 C ATOM 361 C ALA A 25 5.595 3.681 -4.053 1.00 0.00 C ATOM 362 O ALA A 25 5.173 4.609 -4.746 1.00 0.00 O ATOM 363 CB ALA A 25 3.878 2.847 -2.427 1.00 0.00 C ATOM 0 H ALA A 25 5.612 1.070 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 25 3.990 2.330 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.284 3.743 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.216 2.014 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.553 3.022 -1.589 1.00 0.00 H new ATOM 369 N THR A 26 6.854 3.615 -3.612 1.00 0.00 N ATOM 370 CA THR A 26 7.827 4.654 -3.923 1.00 0.00 C ATOM 371 C THR A 26 8.308 4.495 -5.358 1.00 0.00 C ATOM 372 O THR A 26 8.230 5.428 -6.156 1.00 0.00 O ATOM 373 CB THR A 26 9.012 4.582 -2.958 1.00 0.00 C ATOM 374 OG1 THR A 26 8.581 4.749 -1.620 1.00 0.00 O ATOM 375 CG2 THR A 26 10.071 5.629 -3.231 1.00 0.00 C ATOM 0 H THR A 26 7.218 2.853 -3.040 1.00 0.00 H new ATOM 0 HA THR A 26 7.351 5.628 -3.812 1.00 0.00 H new ATOM 0 HB THR A 26 9.449 3.596 -3.112 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.030 3.983 -1.356 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.882 5.522 -2.511 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.461 5.497 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.633 6.623 -3.138 1.00 0.00 H new ATOM 383 N GLN A 27 8.787 3.300 -5.687 1.00 0.00 N ATOM 384 CA GLN A 27 9.256 3.021 -7.037 1.00 0.00 C ATOM 385 C GLN A 27 8.110 3.137 -8.033 1.00 0.00 C ATOM 386 O GLN A 27 8.325 3.400 -9.215 1.00 0.00 O ATOM 387 CB GLN A 27 9.887 1.628 -7.113 1.00 0.00 C ATOM 388 CG GLN A 27 11.321 1.575 -6.606 1.00 0.00 C ATOM 389 CD GLN A 27 11.481 2.153 -5.213 1.00 0.00 C ATOM 390 OE1 GLN A 27 11.215 3.334 -4.983 1.00 0.00 O ATOM 391 NE2 GLN A 27 11.921 1.324 -4.274 1.00 0.00 N ATOM 0 H GLN A 27 8.860 2.514 -5.041 1.00 0.00 H new ATOM 0 HA GLN A 27 10.017 3.758 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.280 0.932 -6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.864 1.285 -8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.662 0.540 -6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.964 2.121 -7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.129 0.353 -4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.051 1.658 -3.319 1.00 0.00 H new ATOM 400 N ALA A 28 6.885 2.953 -7.543 1.00 0.00 N ATOM 401 CA ALA A 28 5.709 3.055 -8.394 1.00 0.00 C ATOM 402 C ALA A 28 5.412 4.513 -8.728 1.00 0.00 C ATOM 403 O ALA A 28 5.101 4.846 -9.872 1.00 0.00 O ATOM 404 CB ALA A 28 4.508 2.406 -7.720 1.00 0.00 C ATOM 0 H ALA A 28 6.685 2.734 -6.567 1.00 0.00 H new ATOM 0 HA ALA A 28 5.911 2.526 -9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.637 2.491 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.720 1.353 -7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.306 2.909 -6.774 1.00 0.00 H new ATOM 410 N MET A 29 5.514 5.379 -7.722 1.00 0.00 N ATOM 411 CA MET A 29 5.260 6.804 -7.913 1.00 0.00 C ATOM 412 C MET A 29 6.427 7.480 -8.628 1.00 0.00 C ATOM 413 O MET A 29 6.253 8.510 -9.277 1.00 0.00 O ATOM 414 CB MET A 29 5.003 7.487 -6.569 1.00 0.00 C ATOM 415 CG MET A 29 6.172 7.395 -5.603 1.00 0.00 C ATOM 416 SD MET A 29 5.850 8.231 -4.039 1.00 0.00 S ATOM 417 CE MET A 29 4.415 7.327 -3.463 1.00 0.00 C ATOM 0 H MET A 29 5.770 5.119 -6.769 1.00 0.00 H new ATOM 0 HA MET A 29 4.372 6.904 -8.537 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.770 8.537 -6.744 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.124 7.038 -6.106 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.397 6.346 -5.410 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.057 7.830 -6.067 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.051 7.773 -2.537 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.631 7.369 -4.219 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.688 6.288 -3.282 1.00 0.00 H new ATOM 427 N GLU A 30 7.613 6.893 -8.513 1.00 0.00 N ATOM 428 CA GLU A 30 8.798 7.440 -9.162 1.00 0.00 C ATOM 429 C GLU A 30 8.807 7.063 -10.637 1.00 0.00 C ATOM 430 O GLU A 30 8.959 7.918 -11.508 1.00 0.00 O ATOM 431 CB GLU A 30 10.072 6.938 -8.479 1.00 0.00 C ATOM 432 CG GLU A 30 10.261 7.479 -7.071 1.00 0.00 C ATOM 433 CD GLU A 30 11.498 6.922 -6.395 1.00 0.00 C ATOM 434 OE1 GLU A 30 11.581 5.686 -6.234 1.00 0.00 O ATOM 435 OE2 GLU A 30 12.385 7.721 -6.026 1.00 0.00 O ATOM 0 H GLU A 30 7.779 6.041 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 30 8.769 8.526 -9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.049 5.849 -8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.934 7.217 -9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.331 8.566 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.383 7.237 -6.472 1.00 0.00 H new ATOM 442 N LYS A 31 8.630 5.775 -10.909 1.00 0.00 N ATOM 443 CA LYS A 31 8.605 5.283 -12.280 1.00 0.00 C ATOM 444 C LYS A 31 7.313 5.704 -12.978 1.00 0.00 C ATOM 445 O LYS A 31 7.277 5.853 -14.200 1.00 0.00 O ATOM 446 CB LYS A 31 8.744 3.761 -12.305 1.00 0.00 C ATOM 447 CG LYS A 31 10.073 3.260 -11.765 1.00 0.00 C ATOM 448 CD LYS A 31 10.161 1.743 -11.817 1.00 0.00 C ATOM 449 CE LYS A 31 11.502 1.243 -11.306 1.00 0.00 C ATOM 450 NZ LYS A 31 11.745 1.639 -9.891 1.00 0.00 N ATOM 0 H LYS A 31 8.502 5.054 -10.199 1.00 0.00 H new ATOM 0 HA LYS A 31 9.448 5.720 -12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.936 3.322 -11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.623 3.411 -13.330 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.888 3.693 -12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.199 3.598 -10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.359 1.311 -11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.012 1.404 -12.842 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.539 0.157 -11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.300 1.639 -11.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.595 2.236 -9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.926 2.170 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.885 0.787 -9.311 1.00 0.00 H new ATOM 464 N TYR A 32 6.255 5.902 -12.194 1.00 0.00 N ATOM 465 CA TYR A 32 4.964 6.311 -12.740 1.00 0.00 C ATOM 466 C TYR A 32 4.351 7.429 -11.900 1.00 0.00 C ATOM 467 O TYR A 32 4.535 7.475 -10.685 1.00 0.00 O ATOM 468 CB TYR A 32 4.001 5.123 -12.801 1.00 0.00 C ATOM 469 CG TYR A 32 4.466 4.004 -13.706 1.00 0.00 C ATOM 470 CD1 TYR A 32 5.620 3.287 -13.422 1.00 0.00 C ATOM 471 CD2 TYR A 32 3.749 3.666 -14.847 1.00 0.00 C ATOM 472 CE1 TYR A 32 6.049 2.265 -14.248 1.00 0.00 C ATOM 473 CE2 TYR A 32 4.170 2.645 -15.679 1.00 0.00 C ATOM 474 CZ TYR A 32 5.320 1.948 -15.374 1.00 0.00 C ATOM 475 OH TYR A 32 5.742 0.931 -16.199 1.00 0.00 O ATOM 0 H TYR A 32 6.267 5.786 -11.181 1.00 0.00 H new ATOM 0 HA TYR A 32 5.132 6.682 -13.751 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.861 4.729 -11.794 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.028 5.474 -13.144 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.193 3.532 -12.540 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.848 4.210 -15.088 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.950 1.718 -14.012 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.601 2.395 -16.563 1.00 0.00 H new ATOM 0 HH TYR A 32 5.116 0.835 -16.947 1.00 0.00 H new ATOM 485 N ASN A 33 3.622 8.327 -12.555 1.00 0.00 N ATOM 486 CA ASN A 33 2.985 9.442 -11.863 1.00 0.00 C ATOM 487 C ASN A 33 1.540 9.617 -12.321 1.00 0.00 C ATOM 488 O ASN A 33 1.079 10.737 -12.543 1.00 0.00 O ATOM 489 CB ASN A 33 3.770 10.732 -12.103 1.00 0.00 C ATOM 490 CG ASN A 33 5.200 10.639 -11.608 1.00 0.00 C ATOM 491 OD1 ASN A 33 5.970 9.792 -12.058 1.00 0.00 O ATOM 492 ND2 ASN A 33 5.562 11.515 -10.675 1.00 0.00 N ATOM 0 H ASN A 33 3.458 8.305 -13.561 1.00 0.00 H new ATOM 0 HA ASN A 33 2.981 9.220 -10.796 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.771 10.960 -13.169 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.268 11.559 -11.601 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.512 11.501 -10.304 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.890 12.200 -10.331 1.00 0.00 H new ATOM 499 N ILE A 34 0.829 8.503 -12.463 1.00 0.00 N ATOM 500 CA ILE A 34 -0.563 8.534 -12.896 1.00 0.00 C ATOM 501 C ILE A 34 -1.521 8.358 -11.719 1.00 0.00 C ATOM 502 O ILE A 34 -2.721 8.597 -11.849 1.00 0.00 O ATOM 503 CB ILE A 34 -0.844 7.436 -13.939 1.00 0.00 C ATOM 504 CG1 ILE A 34 0.184 7.512 -15.068 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.258 7.575 -14.487 1.00 0.00 C ATOM 506 CD1 ILE A 34 -0.054 6.509 -16.178 1.00 0.00 C ATOM 0 H ILE A 34 1.194 7.568 -12.284 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.730 9.513 -13.346 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.760 6.461 -13.458 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.173 8.517 -15.490 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.179 7.352 -14.653 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.442 6.792 -15.223 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.975 7.482 -13.671 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.371 8.551 -14.960 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.715 6.623 -16.942 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.013 5.499 -15.770 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.035 6.682 -16.621 1.00 0.00 H new ATOM 518 N GLU A 35 -0.984 7.938 -10.574 1.00 0.00 N ATOM 519 CA GLU A 35 -1.782 7.722 -9.364 1.00 0.00 C ATOM 520 C GLU A 35 -2.569 6.416 -9.447 1.00 0.00 C ATOM 521 O GLU A 35 -2.467 5.564 -8.564 1.00 0.00 O ATOM 522 CB GLU A 35 -2.738 8.895 -9.119 1.00 0.00 C ATOM 523 CG GLU A 35 -2.041 10.243 -9.039 1.00 0.00 C ATOM 524 CD GLU A 35 -3.007 11.386 -8.792 1.00 0.00 C ATOM 525 OE1 GLU A 35 -3.912 11.588 -9.629 1.00 0.00 O ATOM 526 OE2 GLU A 35 -2.858 12.075 -7.763 1.00 0.00 O ATOM 0 H GLU A 35 0.009 7.739 -10.457 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.089 7.655 -8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.476 8.924 -9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.282 8.721 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.301 10.218 -8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.500 10.424 -9.968 1.00 0.00 H new ATOM 533 N LYS A 36 -3.351 6.262 -10.510 1.00 0.00 N ATOM 534 CA LYS A 36 -4.149 5.058 -10.704 1.00 0.00 C ATOM 535 C LYS A 36 -3.256 3.880 -11.070 1.00 0.00 C ATOM 536 O LYS A 36 -3.263 2.851 -10.394 1.00 0.00 O ATOM 537 CB LYS A 36 -5.195 5.284 -11.798 1.00 0.00 C ATOM 538 CG LYS A 36 -6.159 6.419 -11.493 1.00 0.00 C ATOM 539 CD LYS A 36 -7.155 6.626 -12.623 1.00 0.00 C ATOM 540 CE LYS A 36 -7.997 5.382 -12.859 1.00 0.00 C ATOM 541 NZ LYS A 36 -8.984 5.580 -13.957 1.00 0.00 N ATOM 0 H LYS A 36 -3.449 6.957 -11.251 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.661 4.830 -9.769 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.685 5.494 -12.738 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.763 4.365 -11.942 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.696 6.203 -10.569 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.598 7.339 -11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.806 7.468 -12.386 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.621 6.884 -13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.345 4.543 -13.104 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.523 5.120 -11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.538 4.710 -14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.622 6.364 -13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.481 5.805 -14.839 1.00 0.00 H new ATOM 555 N ASP A 37 -2.477 4.042 -12.135 1.00 0.00 N ATOM 556 CA ASP A 37 -1.565 2.992 -12.574 1.00 0.00 C ATOM 557 C ASP A 37 -0.643 2.582 -11.431 1.00 0.00 C ATOM 558 O ASP A 37 -0.147 1.457 -11.389 1.00 0.00 O ATOM 559 CB ASP A 37 -0.739 3.468 -13.771 1.00 0.00 C ATOM 560 CG ASP A 37 -1.605 3.823 -14.964 1.00 0.00 C ATOM 561 OD1 ASP A 37 -2.459 4.724 -14.831 1.00 0.00 O ATOM 562 OD2 ASP A 37 -1.427 3.202 -16.033 1.00 0.00 O ATOM 0 H ASP A 37 -2.459 4.886 -12.707 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.154 2.127 -12.879 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.151 4.338 -13.480 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.034 2.687 -14.056 1.00 0.00 H new ATOM 567 N ILE A 38 -0.431 3.507 -10.497 1.00 0.00 N ATOM 568 CA ILE A 38 0.417 3.252 -9.343 1.00 0.00 C ATOM 569 C ILE A 38 -0.139 2.095 -8.521 1.00 0.00 C ATOM 570 O ILE A 38 0.586 1.164 -8.168 1.00 0.00 O ATOM 571 CB ILE A 38 0.523 4.501 -8.444 1.00 0.00 C ATOM 572 CG1 ILE A 38 1.024 5.697 -9.256 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.445 4.235 -7.262 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.399 5.489 -9.849 1.00 0.00 C ATOM 0 H ILE A 38 -0.838 4.442 -10.521 1.00 0.00 H new ATOM 0 HA ILE A 38 1.410 2.997 -9.714 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.469 4.734 -8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.317 5.902 -10.060 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.043 6.579 -8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.506 5.128 -6.640 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.050 3.408 -6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.439 3.978 -7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.691 6.376 -10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.118 5.314 -9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.381 4.627 -10.515 1.00 0.00 H new ATOM 586 N ALA A 39 -1.433 2.161 -8.221 1.00 0.00 N ATOM 587 CA ALA A 39 -2.087 1.116 -7.443 1.00 0.00 C ATOM 588 C ALA A 39 -2.101 -0.206 -8.200 1.00 0.00 C ATOM 589 O ALA A 39 -2.213 -1.274 -7.599 1.00 0.00 O ATOM 590 CB ALA A 39 -3.501 1.535 -7.077 1.00 0.00 C ATOM 0 H ALA A 39 -2.047 2.925 -8.504 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.516 0.971 -6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.976 0.744 -6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.468 2.450 -6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.075 1.712 -7.987 1.00 0.00 H new ATOM 596 N ALA A 40 -1.983 -0.129 -9.521 1.00 0.00 N ATOM 597 CA ALA A 40 -1.979 -1.323 -10.358 1.00 0.00 C ATOM 598 C ALA A 40 -0.602 -1.960 -10.381 1.00 0.00 C ATOM 599 O ALA A 40 -0.475 -3.179 -10.325 1.00 0.00 O ATOM 600 CB ALA A 40 -2.434 -0.985 -11.769 1.00 0.00 C ATOM 0 H ALA A 40 -1.889 0.747 -10.035 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.679 -2.041 -9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.425 -1.887 -12.380 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.445 -0.578 -11.738 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.759 -0.247 -12.202 1.00 0.00 H new ATOM 606 N TYR A 41 0.428 -1.130 -10.451 1.00 0.00 N ATOM 607 CA TYR A 41 1.797 -1.622 -10.467 1.00 0.00 C ATOM 608 C TYR A 41 2.156 -2.232 -9.118 1.00 0.00 C ATOM 609 O TYR A 41 2.983 -3.141 -9.034 1.00 0.00 O ATOM 610 CB TYR A 41 2.765 -0.488 -10.817 1.00 0.00 C ATOM 611 CG TYR A 41 4.211 -0.924 -10.930 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.919 -1.363 -9.817 1.00 0.00 C ATOM 613 CD2 TYR A 41 4.867 -0.899 -12.154 1.00 0.00 C ATOM 614 CE1 TYR A 41 6.238 -1.763 -9.921 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.186 -1.296 -12.266 1.00 0.00 C ATOM 616 CZ TYR A 41 6.866 -1.727 -11.147 1.00 0.00 C ATOM 617 OH TYR A 41 8.179 -2.124 -11.255 1.00 0.00 O ATOM 0 H TYR A 41 0.342 -0.115 -10.498 1.00 0.00 H new ATOM 0 HA TYR A 41 1.881 -2.396 -11.230 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.457 -0.040 -11.762 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.689 0.288 -10.056 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.430 -1.392 -8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.337 -0.564 -13.033 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.773 -2.102 -9.046 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.681 -1.269 -13.225 1.00 0.00 H new ATOM 0 HH TYR A 41 8.471 -2.039 -12.187 1.00 0.00 H new ATOM 627 N ILE A 42 1.516 -1.739 -8.063 1.00 0.00 N ATOM 628 CA ILE A 42 1.759 -2.245 -6.723 1.00 0.00 C ATOM 629 C ILE A 42 1.043 -3.572 -6.531 1.00 0.00 C ATOM 630 O ILE A 42 1.646 -4.560 -6.113 1.00 0.00 O ATOM 631 CB ILE A 42 1.308 -1.236 -5.647 1.00 0.00 C ATOM 632 CG1 ILE A 42 2.129 0.050 -5.762 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.446 -1.832 -4.252 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.592 1.186 -4.918 1.00 0.00 C ATOM 0 H ILE A 42 0.826 -0.990 -8.113 1.00 0.00 H new ATOM 0 HA ILE A 42 2.833 -2.394 -6.609 1.00 0.00 H new ATOM 0 HB ILE A 42 0.256 -1.002 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.157 -0.157 -5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.154 0.364 -6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.122 -1.102 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.827 -2.726 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.488 -2.096 -4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.222 2.066 -5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.574 1.420 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.593 0.891 -3.869 1.00 0.00 H new ATOM 646 N LYS A 43 -0.239 -3.600 -6.874 1.00 0.00 N ATOM 647 CA LYS A 43 -1.013 -4.823 -6.771 1.00 0.00 C ATOM 648 C LYS A 43 -0.455 -5.840 -7.755 1.00 0.00 C ATOM 649 O LYS A 43 -0.406 -7.036 -7.472 1.00 0.00 O ATOM 650 CB LYS A 43 -2.491 -4.561 -7.068 1.00 0.00 C ATOM 651 CG LYS A 43 -2.748 -4.082 -8.485 1.00 0.00 C ATOM 652 CD LYS A 43 -4.213 -3.742 -8.703 1.00 0.00 C ATOM 653 CE LYS A 43 -5.107 -4.949 -8.466 1.00 0.00 C ATOM 654 NZ LYS A 43 -6.546 -4.624 -8.676 1.00 0.00 N ATOM 0 H LYS A 43 -0.758 -2.794 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.940 -5.208 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.056 -5.477 -6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.868 -3.816 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.136 -3.204 -8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.444 -4.854 -9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.504 -2.935 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.355 -3.377 -9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.815 -5.755 -9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.962 -5.314 -7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.122 -5.473 -8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.832 -3.873 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.690 -4.300 -9.654 1.00 0.00 H new ATOM 668 N LYS A 44 -0.021 -5.343 -8.915 1.00 0.00 N ATOM 669 CA LYS A 44 0.550 -6.200 -9.944 1.00 0.00 C ATOM 670 C LYS A 44 1.712 -7.013 -9.383 1.00 0.00 C ATOM 671 O LYS A 44 1.717 -8.241 -9.460 1.00 0.00 O ATOM 672 CB LYS A 44 1.029 -5.363 -11.130 1.00 0.00 C ATOM 673 CG LYS A 44 1.457 -6.196 -12.321 1.00 0.00 C ATOM 674 CD LYS A 44 0.299 -7.034 -12.827 1.00 0.00 C ATOM 675 CE LYS A 44 0.685 -7.835 -14.061 1.00 0.00 C ATOM 676 NZ LYS A 44 1.111 -6.957 -15.186 1.00 0.00 N ATOM 0 H LYS A 44 -0.056 -4.354 -9.161 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.226 -6.886 -10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.229 -4.689 -11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.866 -4.741 -10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.817 -5.545 -13.117 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.287 -6.844 -12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.031 -7.713 -12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.545 -6.385 -13.063 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.494 -8.520 -13.810 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.162 -8.444 -14.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.120 -7.505 -16.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.446 -6.163 -15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.065 -6.589 -14.997 1.00 0.00 H new ATOM 690 N GLU A 45 2.697 -6.321 -8.814 1.00 0.00 N ATOM 691 CA GLU A 45 3.860 -6.988 -8.237 1.00 0.00 C ATOM 692 C GLU A 45 3.434 -8.010 -7.186 1.00 0.00 C ATOM 693 O GLU A 45 3.791 -9.185 -7.272 1.00 0.00 O ATOM 694 CB GLU A 45 4.812 -5.964 -7.613 1.00 0.00 C ATOM 695 CG GLU A 45 5.447 -5.020 -8.623 1.00 0.00 C ATOM 696 CD GLU A 45 6.351 -5.737 -9.610 1.00 0.00 C ATOM 697 OE1 GLU A 45 5.848 -6.597 -10.361 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.562 -5.436 -9.627 1.00 0.00 O ATOM 0 H GLU A 45 2.713 -5.304 -8.741 1.00 0.00 H new ATOM 0 HA GLU A 45 4.380 -7.511 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.266 -5.377 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.601 -6.494 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.662 -4.498 -9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.024 -4.262 -8.093 1.00 0.00 H new ATOM 705 N PHE A 46 2.666 -7.558 -6.200 1.00 0.00 N ATOM 706 CA PHE A 46 2.188 -8.440 -5.139 1.00 0.00 C ATOM 707 C PHE A 46 1.270 -9.527 -5.694 1.00 0.00 C ATOM 708 O PHE A 46 1.061 -10.557 -5.053 1.00 0.00 O ATOM 709 CB PHE A 46 1.452 -7.636 -4.062 1.00 0.00 C ATOM 710 CG PHE A 46 2.357 -6.857 -3.146 1.00 0.00 C ATOM 711 CD1 PHE A 46 3.230 -5.902 -3.646 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.330 -7.080 -1.778 1.00 0.00 C ATOM 713 CE1 PHE A 46 4.057 -5.187 -2.799 1.00 0.00 C ATOM 714 CE2 PHE A 46 3.155 -6.370 -0.927 1.00 0.00 C ATOM 715 CZ PHE A 46 4.020 -5.421 -1.438 1.00 0.00 C ATOM 0 H PHE A 46 2.361 -6.588 -6.113 1.00 0.00 H new ATOM 0 HA PHE A 46 3.058 -8.921 -4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.763 -6.945 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.849 -8.319 -3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.264 -5.715 -4.709 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.655 -7.819 -1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.732 -4.446 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.124 -6.556 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.665 -4.864 -0.775 1.00 0.00 H new ATOM 725 N ASP A 47 0.719 -9.295 -6.884 1.00 0.00 N ATOM 726 CA ASP A 47 -0.177 -10.261 -7.509 1.00 0.00 C ATOM 727 C ASP A 47 0.596 -11.458 -8.059 1.00 0.00 C ATOM 728 O ASP A 47 0.315 -12.603 -7.705 1.00 0.00 O ATOM 729 CB ASP A 47 -0.977 -9.596 -8.633 1.00 0.00 C ATOM 730 CG ASP A 47 -1.939 -10.554 -9.309 1.00 0.00 C ATOM 731 OD1 ASP A 47 -1.471 -11.573 -9.862 1.00 0.00 O ATOM 732 OD2 ASP A 47 -3.159 -10.287 -9.284 1.00 0.00 O ATOM 0 H ASP A 47 0.878 -8.449 -7.432 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.865 -10.621 -6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.535 -8.753 -8.227 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.288 -9.194 -9.376 1.00 0.00 H new ATOM 737 N LYS A 48 1.563 -11.187 -8.928 1.00 0.00 N ATOM 738 CA LYS A 48 2.369 -12.246 -9.530 1.00 0.00 C ATOM 739 C LYS A 48 3.572 -12.606 -8.660 1.00 0.00 C ATOM 740 O LYS A 48 4.438 -13.376 -9.078 1.00 0.00 O ATOM 741 CB LYS A 48 2.841 -11.827 -10.922 1.00 0.00 C ATOM 742 CG LYS A 48 1.707 -11.613 -11.911 1.00 0.00 C ATOM 743 CD LYS A 48 2.230 -11.200 -13.278 1.00 0.00 C ATOM 744 CE LYS A 48 1.100 -11.044 -14.283 1.00 0.00 C ATOM 745 NZ LYS A 48 0.358 -12.319 -14.493 1.00 0.00 N ATOM 0 H LYS A 48 1.809 -10.245 -9.232 1.00 0.00 H new ATOM 0 HA LYS A 48 1.738 -13.131 -9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.418 -10.906 -10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.514 -12.590 -11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.126 -12.531 -12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.032 -10.846 -11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.774 -10.259 -13.192 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.938 -11.946 -13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.409 -10.276 -13.935 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.506 -10.700 -15.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.224 -12.244 -15.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.035 -13.101 -14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.255 -12.503 -13.673 1.00 0.00 H new ATOM 759 N LYS A 49 3.629 -12.052 -7.452 1.00 0.00 N ATOM 760 CA LYS A 49 4.735 -12.330 -6.542 1.00 0.00 C ATOM 761 C LYS A 49 4.251 -13.085 -5.306 1.00 0.00 C ATOM 762 O LYS A 49 4.994 -13.867 -4.714 1.00 0.00 O ATOM 763 CB LYS A 49 5.420 -11.029 -6.120 1.00 0.00 C ATOM 764 CG LYS A 49 6.624 -11.241 -5.217 1.00 0.00 C ATOM 765 CD LYS A 49 7.271 -9.921 -4.829 1.00 0.00 C ATOM 766 CE LYS A 49 8.489 -10.136 -3.947 1.00 0.00 C ATOM 767 NZ LYS A 49 9.119 -8.847 -3.544 1.00 0.00 N ATOM 0 H LYS A 49 2.926 -11.412 -7.082 1.00 0.00 H new ATOM 0 HA LYS A 49 5.454 -12.956 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.736 -10.489 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.696 -10.398 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.316 -11.774 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.355 -11.870 -5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.563 -9.379 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.546 -9.299 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.198 -10.692 -3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.219 -10.746 -4.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.966 -9.039 -2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.389 -8.312 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.442 -8.290 -2.985 1.00 0.00 H new ATOM 781 N TYR A 50 3.000 -12.846 -4.920 1.00 0.00 N ATOM 782 CA TYR A 50 2.424 -13.504 -3.755 1.00 0.00 C ATOM 783 C TYR A 50 1.061 -14.117 -4.077 1.00 0.00 C ATOM 784 O TYR A 50 0.370 -14.614 -3.187 1.00 0.00 O ATOM 785 CB TYR A 50 2.283 -12.503 -2.606 1.00 0.00 C ATOM 786 CG TYR A 50 3.585 -11.834 -2.227 1.00 0.00 C ATOM 787 CD1 TYR A 50 4.663 -12.578 -1.765 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.738 -10.458 -2.336 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.856 -11.971 -1.420 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.926 -9.842 -1.995 1.00 0.00 C ATOM 791 CZ TYR A 50 5.982 -10.603 -1.537 1.00 0.00 C ATOM 792 OH TYR A 50 7.167 -9.992 -1.195 1.00 0.00 O ATOM 0 H TYR A 50 2.369 -12.203 -5.397 1.00 0.00 H new ATOM 0 HA TYR A 50 3.096 -14.309 -3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.559 -11.738 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.880 -13.018 -1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.567 -13.650 -1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.913 -9.859 -2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.684 -12.564 -1.061 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.028 -8.771 -2.086 1.00 0.00 H new ATOM 0 HH TYR A 50 7.090 -9.025 -1.337 1.00 0.00 H new ATOM 802 N ASN A 51 0.677 -14.085 -5.354 1.00 0.00 N ATOM 803 CA ASN A 51 -0.601 -14.640 -5.781 1.00 0.00 C ATOM 804 C ASN A 51 -1.766 -13.916 -5.108 1.00 0.00 C ATOM 805 O ASN A 51 -1.632 -13.414 -3.993 1.00 0.00 O ATOM 806 CB ASN A 51 -0.663 -16.136 -5.466 1.00 0.00 C ATOM 807 CG ASN A 51 0.429 -16.921 -6.166 1.00 0.00 C ATOM 808 OD1 ASN A 51 1.619 -16.677 -5.953 1.00 0.00 O ATOM 809 ND2 ASN A 51 0.032 -17.868 -7.007 1.00 0.00 N ATOM 0 H ASN A 51 1.234 -13.681 -6.107 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.686 -14.499 -6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.578 -16.281 -4.389 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.636 -16.527 -5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.722 -18.428 -7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.963 -18.036 -7.153 1.00 0.00 H new ATOM 816 N PRO A 52 -2.928 -13.854 -5.780 1.00 0.00 N ATOM 817 CA PRO A 52 -4.118 -13.186 -5.239 1.00 0.00 C ATOM 818 C PRO A 52 -4.535 -13.762 -3.885 1.00 0.00 C ATOM 819 O PRO A 52 -3.979 -14.767 -3.444 1.00 0.00 O ATOM 820 CB PRO A 52 -5.198 -13.458 -6.291 1.00 0.00 C ATOM 821 CG PRO A 52 -4.450 -13.755 -7.545 1.00 0.00 C ATOM 822 CD PRO A 52 -3.176 -14.424 -7.117 1.00 0.00 C ATOM 0 HA PRO A 52 -3.942 -12.125 -5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.830 -14.297 -6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.852 -12.595 -6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.030 -14.404 -8.201 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.243 -12.841 -8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.284 -15.508 -7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.358 -14.209 -7.804 1.00 0.00 H new ATOM 830 N THR A 53 -5.514 -13.135 -3.219 1.00 0.00 N ATOM 831 CA THR A 53 -6.189 -11.937 -3.728 1.00 0.00 C ATOM 832 C THR A 53 -6.048 -10.780 -2.745 1.00 0.00 C ATOM 833 O THR A 53 -6.376 -10.912 -1.565 1.00 0.00 O ATOM 834 CB THR A 53 -7.668 -12.230 -3.977 1.00 0.00 C ATOM 835 OG1 THR A 53 -8.331 -11.079 -4.469 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.405 -12.689 -2.738 1.00 0.00 C ATOM 0 H THR A 53 -5.860 -13.446 -2.311 1.00 0.00 H new ATOM 0 HA THR A 53 -5.718 -11.653 -4.669 1.00 0.00 H new ATOM 0 HB THR A 53 -7.683 -13.038 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.276 -11.287 -4.624 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.449 -12.879 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.949 -13.604 -2.361 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.349 -11.914 -1.973 1.00 0.00 H new ATOM 844 N TRP A 54 -5.556 -9.647 -3.236 1.00 0.00 N ATOM 845 CA TRP A 54 -5.370 -8.467 -2.398 1.00 0.00 C ATOM 846 C TRP A 54 -6.145 -7.280 -2.957 1.00 0.00 C ATOM 847 O TRP A 54 -6.688 -7.343 -4.061 1.00 0.00 O ATOM 848 CB TRP A 54 -3.885 -8.099 -2.315 1.00 0.00 C ATOM 849 CG TRP A 54 -2.977 -9.260 -2.041 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.867 -10.407 -2.774 1.00 0.00 C ATOM 851 CD2 TRP A 54 -2.033 -9.376 -0.970 1.00 0.00 C ATOM 852 NE1 TRP A 54 -1.917 -11.232 -2.221 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.392 -10.622 -1.112 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.669 -8.551 0.098 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.408 -11.060 -0.228 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.692 -8.986 0.974 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.072 -10.230 0.806 1.00 0.00 C ATOM 0 H TRP A 54 -5.279 -9.521 -4.209 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.744 -8.703 -1.402 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.585 -7.632 -3.253 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.750 -7.354 -1.531 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.443 -10.633 -3.659 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.647 -12.149 -2.578 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.143 -7.590 0.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.072 -12.019 -0.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.402 -8.356 1.802 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.688 -10.541 1.508 1.00 0.00 H new ATOM 868 N HIS A 55 -6.182 -6.194 -2.191 1.00 0.00 N ATOM 869 CA HIS A 55 -6.876 -4.983 -2.609 1.00 0.00 C ATOM 870 C HIS A 55 -6.199 -3.752 -2.014 1.00 0.00 C ATOM 871 O HIS A 55 -6.636 -3.224 -0.990 1.00 0.00 O ATOM 872 CB HIS A 55 -8.346 -5.024 -2.185 1.00 0.00 C ATOM 873 CG HIS A 55 -9.108 -6.186 -2.745 1.00 0.00 C ATOM 874 ND1 HIS A 55 -8.874 -7.494 -2.373 1.00 0.00 N ATOM 875 CD2 HIS A 55 -10.105 -6.231 -3.661 1.00 0.00 C ATOM 876 CE1 HIS A 55 -9.693 -8.291 -3.035 1.00 0.00 C ATOM 877 NE2 HIS A 55 -10.450 -7.550 -3.823 1.00 0.00 N ATOM 0 H HIS A 55 -5.738 -6.129 -1.275 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.830 -4.925 -3.696 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.399 -5.058 -1.097 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.830 -4.099 -2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.546 -5.386 -4.169 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.736 -9.367 -2.947 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.174 -7.901 -4.450 1.00 0.00 H new ATOM 886 N CYS A 56 -5.123 -3.307 -2.654 1.00 0.00 N ATOM 887 CA CYS A 56 -4.377 -2.146 -2.182 1.00 0.00 C ATOM 888 C CYS A 56 -5.142 -0.851 -2.437 1.00 0.00 C ATOM 889 O CYS A 56 -5.731 -0.666 -3.501 1.00 0.00 O ATOM 890 CB CYS A 56 -3.011 -2.077 -2.866 1.00 0.00 C ATOM 891 SG CYS A 56 -3.093 -1.829 -4.655 1.00 0.00 S ATOM 0 H CYS A 56 -4.748 -3.733 -3.501 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.240 -2.258 -1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.436 -1.264 -2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.468 -3.000 -2.662 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.231 -1.284 -4.966 1.00 0.00 H new ATOM 897 N ILE A 57 -5.117 0.047 -1.456 1.00 0.00 N ATOM 898 CA ILE A 57 -5.796 1.333 -1.581 1.00 0.00 C ATOM 899 C ILE A 57 -4.782 2.455 -1.722 1.00 0.00 C ATOM 900 O ILE A 57 -3.695 2.393 -1.150 1.00 0.00 O ATOM 901 CB ILE A 57 -6.691 1.632 -0.363 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.627 0.461 -0.084 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.495 2.905 -0.580 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.416 0.011 -1.296 1.00 0.00 C ATOM 0 H ILE A 57 -4.635 -0.092 -0.568 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.423 1.274 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.044 1.776 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.042 -0.379 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.322 0.743 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.119 3.095 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.815 3.744 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.128 2.790 -1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.060 -0.825 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.028 0.837 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.729 -0.303 -2.082 1.00 0.00 H new ATOM 916 N VAL A 58 -5.149 3.483 -2.475 1.00 0.00 N ATOM 917 CA VAL A 58 -4.275 4.630 -2.685 1.00 0.00 C ATOM 918 C VAL A 58 -5.015 5.932 -2.403 1.00 0.00 C ATOM 919 O VAL A 58 -5.384 6.662 -3.322 1.00 0.00 O ATOM 920 CB VAL A 58 -3.720 4.658 -4.123 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.767 5.830 -4.311 1.00 0.00 C ATOM 922 CG2 VAL A 58 -3.030 3.343 -4.453 1.00 0.00 C ATOM 0 H VAL A 58 -6.048 3.546 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.441 4.532 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.555 4.789 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.388 5.830 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.296 6.764 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.934 5.737 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.644 3.380 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.206 3.180 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.745 2.525 -4.365 1.00 0.00 H new ATOM 932 N GLY A 59 -5.236 6.214 -1.123 1.00 0.00 N ATOM 933 CA GLY A 59 -5.936 7.423 -0.738 1.00 0.00 C ATOM 934 C GLY A 59 -6.104 7.539 0.762 1.00 0.00 C ATOM 935 O GLY A 59 -5.176 7.933 1.470 1.00 0.00 O ATOM 0 H GLY A 59 -4.941 5.624 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.389 8.290 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.917 7.439 -1.213 1.00 0.00 H new ATOM 939 N ARG A 60 -7.291 7.198 1.251 1.00 0.00 N ATOM 940 CA ARG A 60 -7.580 7.266 2.671 1.00 0.00 C ATOM 941 C ARG A 60 -8.118 5.930 3.182 1.00 0.00 C ATOM 942 O ARG A 60 -7.400 5.164 3.825 1.00 0.00 O ATOM 943 CB ARG A 60 -8.592 8.382 2.934 1.00 0.00 C ATOM 944 CG ARG A 60 -9.101 8.415 4.361 1.00 0.00 C ATOM 945 CD ARG A 60 -7.979 8.691 5.349 1.00 0.00 C ATOM 946 NE ARG A 60 -7.325 9.974 5.093 1.00 0.00 N ATOM 947 CZ ARG A 60 -7.925 11.155 5.236 1.00 0.00 C ATOM 948 NH1 ARG A 60 -9.174 11.226 5.680 1.00 0.00 N ATOM 949 NH2 ARG A 60 -7.267 12.270 4.947 1.00 0.00 N ATOM 0 H ARG A 60 -8.069 6.871 0.679 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.656 7.483 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.131 9.342 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.438 8.261 2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.868 9.184 4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.573 7.462 4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.379 8.684 6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.241 7.891 5.292 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.352 9.964 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.681 10.373 5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.626 12.134 5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.303 12.222 4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.725 13.175 5.056 1.00 0.00 H new ATOM 963 N ASN A 61 -9.387 5.665 2.894 1.00 0.00 N ATOM 964 CA ASN A 61 -10.035 4.426 3.326 1.00 0.00 C ATOM 965 C ASN A 61 -11.227 4.089 2.433 1.00 0.00 C ATOM 966 O ASN A 61 -12.125 3.352 2.837 1.00 0.00 O ATOM 967 CB ASN A 61 -10.525 4.572 4.772 1.00 0.00 C ATOM 968 CG ASN A 61 -11.759 5.471 4.923 1.00 0.00 C ATOM 969 OD1 ASN A 61 -12.180 6.144 3.843 1.00 0.00 O flip ATOM 970 ND2 ASN A 61 -12.321 5.571 6.012 1.00 0.00 N flip ATOM 0 H ASN A 61 -9.991 6.291 2.362 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.302 3.622 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.757 3.583 5.168 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.716 4.977 5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.975 5.045 6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.133 6.180 6.113 1.00 0.00 H new ATOM 977 N PHE A 62 -11.256 4.672 1.243 1.00 0.00 N ATOM 978 CA PHE A 62 -12.370 4.470 0.331 1.00 0.00 C ATOM 979 C PHE A 62 -12.568 2.994 -0.017 1.00 0.00 C ATOM 980 O PHE A 62 -13.615 2.611 -0.540 1.00 0.00 O ATOM 981 CB PHE A 62 -12.165 5.288 -0.946 1.00 0.00 C ATOM 982 CG PHE A 62 -10.943 4.893 -1.730 1.00 0.00 C ATOM 983 CD1 PHE A 62 -10.888 3.673 -2.383 1.00 0.00 C ATOM 984 CD2 PHE A 62 -9.850 5.741 -1.803 1.00 0.00 C ATOM 985 CE1 PHE A 62 -9.764 3.305 -3.099 1.00 0.00 C ATOM 986 CE2 PHE A 62 -8.724 5.380 -2.518 1.00 0.00 C ATOM 987 CZ PHE A 62 -8.680 4.160 -3.167 1.00 0.00 C ATOM 0 H PHE A 62 -10.523 5.286 0.888 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.272 4.811 0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.044 5.179 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.091 6.343 -0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.732 3.002 -2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.878 6.694 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.733 2.351 -3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.879 6.050 -2.570 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.801 3.876 -3.726 1.00 0.00 H new ATOM 997 N GLY A 63 -11.564 2.169 0.267 1.00 0.00 N ATOM 998 CA GLY A 63 -11.664 0.754 -0.034 1.00 0.00 C ATOM 999 C GLY A 63 -11.192 -0.116 1.112 1.00 0.00 C ATOM 1000 O GLY A 63 -10.321 -0.969 0.938 1.00 0.00 O ATOM 0 H GLY A 63 -10.686 2.455 0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.699 0.508 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.073 0.532 -0.922 1.00 0.00 H new ATOM 1004 N SER A 64 -11.764 0.103 2.287 1.00 0.00 N ATOM 1005 CA SER A 64 -11.395 -0.664 3.472 1.00 0.00 C ATOM 1006 C SER A 64 -11.671 -2.163 3.284 1.00 0.00 C ATOM 1007 O SER A 64 -10.838 -2.882 2.735 1.00 0.00 O ATOM 1008 CB SER A 64 -12.134 -0.124 4.702 1.00 0.00 C ATOM 1009 OG SER A 64 -11.840 -0.897 5.852 1.00 0.00 O ATOM 0 H SER A 64 -12.486 0.805 2.447 1.00 0.00 H new ATOM 0 HA SER A 64 -10.322 -0.549 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.849 0.914 4.875 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.208 -0.134 4.518 1.00 0.00 H new ATOM 0 HG SER A 64 -12.322 -0.532 6.623 1.00 0.00 H new ATOM 1015 N TYR A 65 -12.829 -2.632 3.758 1.00 0.00 N ATOM 1016 CA TYR A 65 -13.196 -4.047 3.659 1.00 0.00 C ATOM 1017 C TYR A 65 -12.009 -4.955 3.968 1.00 0.00 C ATOM 1018 O TYR A 65 -11.837 -6.000 3.343 1.00 0.00 O ATOM 1019 CB TYR A 65 -13.768 -4.393 2.280 1.00 0.00 C ATOM 1020 CG TYR A 65 -12.899 -3.987 1.111 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -13.010 -2.720 0.550 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -11.973 -4.869 0.559 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -12.231 -2.345 -0.526 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -11.188 -4.496 -0.515 1.00 0.00 C ATOM 1025 CZ TYR A 65 -11.322 -3.234 -1.054 1.00 0.00 C ATOM 1026 OH TYR A 65 -10.546 -2.860 -2.125 1.00 0.00 O ATOM 0 H TYR A 65 -13.530 -2.050 4.216 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.972 -4.219 4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.937 -5.469 2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.741 -3.913 2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.718 -2.017 0.963 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.867 -5.859 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.334 -1.358 -0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.472 -5.190 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.586 -1.887 -2.234 1.00 0.00 H new ATOM 1036 N VAL A 66 -11.198 -4.549 4.937 1.00 0.00 N ATOM 1037 CA VAL A 66 -10.031 -5.328 5.329 1.00 0.00 C ATOM 1038 C VAL A 66 -10.435 -6.715 5.812 1.00 0.00 C ATOM 1039 O VAL A 66 -9.762 -7.705 5.524 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.230 -4.621 6.439 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -7.974 -5.411 6.786 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -8.880 -3.200 6.021 1.00 0.00 C ATOM 0 H VAL A 66 -11.327 -3.686 5.465 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.402 -5.424 4.444 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.852 -4.570 7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.424 -4.893 7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.254 -6.405 7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.344 -5.500 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.314 -2.716 6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.279 -3.226 5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.796 -2.640 5.834 1.00 0.00 H new ATOM 1052 N THR A 67 -11.541 -6.780 6.545 1.00 0.00 N ATOM 1053 CA THR A 67 -12.035 -8.048 7.067 1.00 0.00 C ATOM 1054 C THR A 67 -12.545 -8.934 5.940 1.00 0.00 C ATOM 1055 O THR A 67 -12.488 -10.160 6.031 1.00 0.00 O ATOM 1056 CB THR A 67 -13.147 -7.806 8.090 1.00 0.00 C ATOM 1057 OG1 THR A 67 -12.674 -7.017 9.168 1.00 0.00 O ATOM 1058 CG2 THR A 67 -13.717 -9.082 8.671 1.00 0.00 C ATOM 0 H THR A 67 -12.111 -5.971 6.791 1.00 0.00 H new ATOM 0 HA THR A 67 -11.207 -8.558 7.560 1.00 0.00 H new ATOM 0 HB THR A 67 -13.936 -7.293 7.541 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.400 -6.872 9.810 1.00 0.00 H new ATOM 0 HG21 THR A 67 -14.500 -8.837 9.388 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.136 -9.691 7.870 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.926 -9.638 9.173 1.00 0.00 H new ATOM 1066 N HIS A 68 -13.028 -8.311 4.868 1.00 0.00 N ATOM 1067 CA HIS A 68 -13.527 -9.057 3.718 1.00 0.00 C ATOM 1068 C HIS A 68 -12.508 -10.108 3.287 1.00 0.00 C ATOM 1069 O HIS A 68 -12.862 -11.134 2.707 1.00 0.00 O ATOM 1070 CB HIS A 68 -13.827 -8.109 2.555 1.00 0.00 C ATOM 1071 CG HIS A 68 -14.380 -8.801 1.347 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -15.557 -9.519 1.364 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -13.911 -8.879 0.079 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -15.787 -10.011 0.159 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -14.804 -9.637 -0.639 1.00 0.00 N ATOM 0 H HIS A 68 -13.084 -7.297 4.772 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.451 -9.559 4.006 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.538 -7.352 2.888 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -12.912 -7.586 2.277 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -13.004 -8.429 -0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.635 -10.616 -0.125 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.721 -9.873 -1.628 1.00 0.00 H new ATOM 1084 N GLU A 69 -11.238 -9.845 3.591 1.00 0.00 N ATOM 1085 CA GLU A 69 -10.161 -10.762 3.254 1.00 0.00 C ATOM 1086 C GLU A 69 -10.062 -11.873 4.296 1.00 0.00 C ATOM 1087 O GLU A 69 -10.506 -12.998 4.066 1.00 0.00 O ATOM 1088 CB GLU A 69 -8.832 -10.006 3.161 1.00 0.00 C ATOM 1089 CG GLU A 69 -8.761 -9.034 1.994 1.00 0.00 C ATOM 1090 CD GLU A 69 -9.766 -7.908 2.112 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -9.691 -7.148 3.100 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -10.629 -7.786 1.217 1.00 0.00 O ATOM 0 H GLU A 69 -10.933 -8.999 4.072 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.379 -11.212 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.671 -9.458 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.020 -10.727 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.757 -8.615 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.935 -9.575 1.064 1.00 0.00 H new ATOM 1099 N THR A 70 -9.482 -11.542 5.442 1.00 0.00 N ATOM 1100 CA THR A 70 -9.327 -12.502 6.529 1.00 0.00 C ATOM 1101 C THR A 70 -8.801 -11.825 7.797 1.00 0.00 C ATOM 1102 O THR A 70 -9.578 -11.408 8.655 1.00 0.00 O ATOM 1103 CB THR A 70 -8.409 -13.653 6.098 1.00 0.00 C ATOM 1104 OG1 THR A 70 -7.991 -14.412 7.218 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.172 -13.204 5.349 1.00 0.00 C ATOM 0 H THR A 70 -9.110 -10.614 5.644 1.00 0.00 H new ATOM 0 HA THR A 70 -10.309 -12.914 6.761 1.00 0.00 H new ATOM 0 HB THR A 70 -9.013 -14.254 5.419 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.408 -15.141 6.920 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.574 -14.075 5.079 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.467 -12.672 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.583 -12.542 5.984 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.484 -11.716 7.906 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.849 -11.092 9.053 1.00 0.00 C ATOM 1115 C LYS A 71 -5.380 -10.827 8.750 1.00 0.00 C ATOM 1116 O LYS A 71 -4.533 -10.835 9.643 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.981 -11.987 10.287 1.00 0.00 C ATOM 1118 CG LYS A 71 -7.529 -11.262 11.503 1.00 0.00 C ATOM 1119 CD LYS A 71 -8.925 -10.723 11.235 1.00 0.00 C ATOM 1120 CE LYS A 71 -9.480 -9.985 12.442 1.00 0.00 C ATOM 1121 NZ LYS A 71 -9.564 -10.863 13.642 1.00 0.00 N ATOM 0 H LYS A 71 -6.829 -12.057 7.202 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.346 -10.144 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.634 -12.827 10.049 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.003 -12.403 10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.556 -11.942 12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.864 -10.441 11.771 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.898 -10.051 10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.590 -11.546 10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.847 -9.126 12.665 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.471 -9.598 12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.156 -10.407 14.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.984 -11.776 13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.610 -11.020 14.025 1.00 0.00 H new ATOM 1135 N HIS A 72 -5.091 -10.597 7.472 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.731 -10.334 7.026 1.00 0.00 C ATOM 1137 C HIS A 72 -3.681 -9.074 6.171 1.00 0.00 C ATOM 1138 O HIS A 72 -3.676 -9.142 4.943 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.198 -11.528 6.231 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.144 -12.799 7.021 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -2.366 -12.951 8.148 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.777 -13.983 6.842 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -2.523 -14.172 8.629 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -3.374 -14.817 7.854 1.00 0.00 N ATOM 0 H HIS A 72 -5.786 -10.588 6.726 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.103 -10.182 7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.828 -11.681 5.355 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.198 -11.294 5.867 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.470 -14.225 6.050 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.038 -14.573 9.506 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.682 -15.780 7.986 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.649 -7.925 6.831 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.603 -6.643 6.135 1.00 0.00 C ATOM 1155 C PHE A 73 -2.267 -5.944 6.368 1.00 0.00 C ATOM 1156 O PHE A 73 -1.414 -6.442 7.102 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.746 -5.744 6.620 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.558 -5.239 8.028 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -3.586 -4.290 8.310 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -5.331 -5.728 9.067 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.390 -3.837 9.595 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -5.142 -5.274 10.359 1.00 0.00 C ATOM 1163 CZ PHE A 73 -4.170 -4.327 10.624 1.00 0.00 C ATOM 0 H PHE A 73 -3.654 -7.852 7.848 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.714 -6.831 5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.839 -4.892 5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.683 -6.298 6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.974 -3.901 7.510 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.089 -6.471 8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.628 -3.100 9.798 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.754 -5.659 11.161 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.021 -3.971 11.633 1.00 0.00 H new ATOM 1173 N ILE A 74 -2.107 -4.771 5.762 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.885 -3.988 5.935 1.00 0.00 C ATOM 1175 C ILE A 74 -1.092 -2.527 5.521 1.00 0.00 C ATOM 1176 O ILE A 74 -1.258 -2.224 4.340 1.00 0.00 O ATOM 1177 CB ILE A 74 0.296 -4.571 5.135 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.543 -3.710 5.344 1.00 0.00 C ATOM 1179 CG2 ILE A 74 -0.052 -4.678 3.656 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.742 -4.183 4.561 1.00 0.00 C ATOM 0 H ILE A 74 -2.802 -4.343 5.151 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.645 -4.034 6.997 1.00 0.00 H new ATOM 0 HB ILE A 74 0.504 -5.577 5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.316 -2.682 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.793 -3.700 6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.797 -5.092 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.916 -5.331 3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.286 -3.688 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.588 -3.525 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.995 -5.200 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.511 -4.167 3.496 1.00 0.00 H new ATOM 1192 N TYR A 75 -1.069 -1.622 6.497 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.242 -0.197 6.221 1.00 0.00 C ATOM 1194 C TYR A 75 0.103 0.520 6.215 1.00 0.00 C ATOM 1195 O TYR A 75 1.034 0.122 6.917 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.144 0.463 7.267 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.559 -0.075 7.336 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -3.987 -1.114 6.516 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.470 0.468 8.234 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.281 -1.593 6.591 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.762 -0.006 8.314 1.00 0.00 C ATOM 1202 CZ TYR A 75 -6.164 -1.036 7.493 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.452 -1.508 7.573 1.00 0.00 O ATOM 0 H TYR A 75 -0.933 -1.848 7.482 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.708 -0.114 5.239 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.681 0.347 8.247 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.189 1.532 7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.298 -1.553 5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.160 1.276 8.881 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.600 -2.399 5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.456 0.429 9.018 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.500 -2.213 8.252 1.00 0.00 H new ATOM 1213 N PHE A 76 0.194 1.595 5.438 1.00 0.00 N ATOM 1214 CA PHE A 76 1.419 2.382 5.367 1.00 0.00 C ATOM 1215 C PHE A 76 1.173 3.703 4.646 1.00 0.00 C ATOM 1216 O PHE A 76 0.824 3.725 3.465 1.00 0.00 O ATOM 1217 CB PHE A 76 2.542 1.595 4.683 1.00 0.00 C ATOM 1218 CG PHE A 76 2.250 1.212 3.262 1.00 0.00 C ATOM 1219 CD1 PHE A 76 1.180 0.386 2.955 1.00 0.00 C ATOM 1220 CD2 PHE A 76 3.053 1.672 2.231 1.00 0.00 C ATOM 1221 CE1 PHE A 76 0.918 0.028 1.647 1.00 0.00 C ATOM 1222 CE2 PHE A 76 2.795 1.317 0.921 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.726 0.494 0.629 1.00 0.00 C ATOM 0 H PHE A 76 -0.565 1.940 4.850 1.00 0.00 H new ATOM 0 HA PHE A 76 1.734 2.601 6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.454 2.191 4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.738 0.690 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.544 0.018 3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.891 2.316 2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.081 -0.616 1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.429 1.683 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.522 0.215 -0.394 1.00 0.00 H new ATOM 1233 N TYR A 77 1.346 4.802 5.374 1.00 0.00 N ATOM 1234 CA TYR A 77 1.133 6.134 4.821 1.00 0.00 C ATOM 1235 C TYR A 77 2.382 6.629 4.098 1.00 0.00 C ATOM 1236 O TYR A 77 3.505 6.398 4.549 1.00 0.00 O ATOM 1237 CB TYR A 77 0.746 7.104 5.941 1.00 0.00 C ATOM 1238 CG TYR A 77 0.217 8.435 5.451 1.00 0.00 C ATOM 1239 CD1 TYR A 77 1.023 9.311 4.733 1.00 0.00 C ATOM 1240 CD2 TYR A 77 -1.095 8.812 5.709 1.00 0.00 C ATOM 1241 CE1 TYR A 77 0.535 10.526 4.288 1.00 0.00 C ATOM 1242 CE2 TYR A 77 -1.590 10.024 5.266 1.00 0.00 C ATOM 1243 CZ TYR A 77 -0.772 10.876 4.558 1.00 0.00 C ATOM 1244 OH TYR A 77 -1.263 12.084 4.117 1.00 0.00 O ATOM 0 H TYR A 77 1.634 4.795 6.352 1.00 0.00 H new ATOM 0 HA TYR A 77 0.321 6.084 4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.011 6.634 6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.618 7.281 6.571 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.046 9.038 4.519 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.739 8.147 6.265 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.173 11.197 3.732 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.613 10.301 5.474 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.200 12.175 4.389 1.00 0.00 H new ATOM 1254 N LEU A 78 2.179 7.309 2.973 1.00 0.00 N ATOM 1255 CA LEU A 78 3.291 7.832 2.187 1.00 0.00 C ATOM 1256 C LEU A 78 2.984 9.233 1.666 1.00 0.00 C ATOM 1257 O LEU A 78 1.887 9.496 1.176 1.00 0.00 O ATOM 1258 CB LEU A 78 3.593 6.898 1.015 1.00 0.00 C ATOM 1259 CG LEU A 78 3.919 5.454 1.404 1.00 0.00 C ATOM 1260 CD1 LEU A 78 4.209 4.620 0.166 1.00 0.00 C ATOM 1261 CD2 LEU A 78 5.099 5.414 2.368 1.00 0.00 C ATOM 0 H LEU A 78 1.257 7.510 2.586 1.00 0.00 H new ATOM 0 HA LEU A 78 4.165 7.891 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.734 6.892 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.433 7.305 0.453 1.00 0.00 H new ATOM 0 HG LEU A 78 3.051 5.028 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.439 3.597 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.336 4.622 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.061 5.043 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.317 4.380 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.973 5.858 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.852 5.976 3.269 1.00 0.00 H new ATOM 1273 N GLY A 79 3.964 10.126 1.773 1.00 0.00 N ATOM 1274 CA GLY A 79 3.784 11.490 1.306 1.00 0.00 C ATOM 1275 C GLY A 79 2.551 12.151 1.888 1.00 0.00 C ATOM 1276 O GLY A 79 2.603 12.733 2.973 1.00 0.00 O ATOM 0 H GLY A 79 4.880 9.929 2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.664 12.078 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.712 11.491 0.218 1.00 0.00 H new ATOM 1280 N GLN A 80 1.437 12.065 1.166 1.00 0.00 N ATOM 1281 CA GLN A 80 0.186 12.661 1.616 1.00 0.00 C ATOM 1282 C GLN A 80 -1.009 11.755 1.317 1.00 0.00 C ATOM 1283 O GLN A 80 -2.150 12.215 1.270 1.00 0.00 O ATOM 1284 CB GLN A 80 -0.016 14.033 0.968 1.00 0.00 C ATOM 1285 CG GLN A 80 0.371 14.088 -0.504 1.00 0.00 C ATOM 1286 CD GLN A 80 -0.261 12.983 -1.324 1.00 0.00 C ATOM 1287 OE1 GLN A 80 0.058 11.807 -1.153 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -1.164 13.355 -2.226 1.00 0.00 N ATOM 0 H GLN A 80 1.377 11.588 0.267 1.00 0.00 H new ATOM 0 HA GLN A 80 0.250 12.784 2.697 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.063 14.320 1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.571 14.771 1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.075 15.053 -0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.456 14.023 -0.591 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.399 14.341 -2.335 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.622 12.654 -2.809 1.00 0.00 H new ATOM 1297 N VAL A 81 -0.741 10.466 1.124 1.00 0.00 N ATOM 1298 CA VAL A 81 -1.794 9.495 0.836 1.00 0.00 C ATOM 1299 C VAL A 81 -1.537 8.182 1.568 1.00 0.00 C ATOM 1300 O VAL A 81 -0.442 7.626 1.501 1.00 0.00 O ATOM 1301 CB VAL A 81 -1.907 9.214 -0.681 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.932 8.120 -0.954 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -2.266 10.485 -1.440 1.00 0.00 C ATOM 0 H VAL A 81 0.198 10.069 1.162 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.731 9.929 1.185 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.936 8.867 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.994 7.939 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.629 7.203 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.907 8.434 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.340 10.264 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.222 10.866 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.493 11.236 -1.278 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.557 7.691 2.264 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.443 6.441 3.004 1.00 0.00 C ATOM 1315 C ALA A 82 -2.816 5.255 2.124 1.00 0.00 C ATOM 1316 O ALA A 82 -3.877 5.244 1.498 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.322 6.476 4.246 1.00 0.00 C ATOM 0 H ALA A 82 -3.471 8.140 2.331 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.405 6.323 3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.225 5.535 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.010 7.298 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.362 6.620 3.952 1.00 0.00 H new ATOM 1323 N ILE A 83 -1.940 4.256 2.080 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.189 3.069 1.275 1.00 0.00 C ATOM 1325 C ILE A 83 -2.606 1.895 2.154 1.00 0.00 C ATOM 1326 O ILE A 83 -2.018 1.654 3.211 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.953 2.673 0.439 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.511 3.850 -0.430 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -1.262 1.458 -0.429 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.729 3.564 -1.250 1.00 0.00 C ATOM 0 H ILE A 83 -1.057 4.246 2.590 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.001 3.315 0.591 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.141 2.412 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.326 4.122 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.323 4.713 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.380 1.193 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.543 0.618 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.085 1.693 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.985 4.443 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.557 3.321 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.539 2.721 -1.915 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.631 1.174 1.710 1.00 0.00 N ATOM 1343 CA LEU A 84 -4.138 0.025 2.452 1.00 0.00 C ATOM 1344 C LEU A 84 -4.101 -1.245 1.613 1.00 0.00 C ATOM 1345 O LEU A 84 -4.906 -1.421 0.700 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.569 0.285 2.927 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.690 1.034 4.253 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -4.948 2.359 4.191 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -7.154 1.255 4.603 1.00 0.00 C ATOM 0 H LEU A 84 -4.127 1.365 0.839 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.489 -0.117 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.092 0.854 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.083 -0.672 3.021 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.235 0.427 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.047 2.876 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.893 2.176 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.371 2.976 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.225 1.790 5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.631 1.842 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.656 0.292 4.692 1.00 0.00 H new ATOM 1361 N LEU A 85 -3.173 -2.136 1.944 1.00 0.00 N ATOM 1362 CA LEU A 85 -3.036 -3.403 1.238 1.00 0.00 C ATOM 1363 C LEU A 85 -3.471 -4.548 2.141 1.00 0.00 C ATOM 1364 O LEU A 85 -2.917 -4.742 3.222 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.589 -3.607 0.780 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.302 -4.952 0.111 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -2.120 -5.105 -1.161 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.183 -5.089 -0.190 1.00 0.00 C ATOM 0 H LEU A 85 -2.502 -2.002 2.700 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.676 -3.385 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.329 -2.810 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.933 -3.502 1.644 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.591 -5.746 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.901 -6.069 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.182 -5.051 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.865 -4.305 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.371 -6.052 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.494 -4.287 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.750 -5.027 0.739 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.477 -5.296 1.709 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.982 -6.405 2.510 1.00 0.00 C ATOM 1382 C PHE A 86 -4.656 -7.745 1.858 1.00 0.00 C ATOM 1383 O PHE A 86 -4.292 -7.804 0.683 1.00 0.00 O ATOM 1384 CB PHE A 86 -6.494 -6.280 2.708 1.00 0.00 C ATOM 1385 CG PHE A 86 -7.004 -4.864 2.710 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -6.617 -3.965 3.691 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.876 -4.437 1.721 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -7.093 -2.669 3.685 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -8.352 -3.141 1.710 1.00 0.00 C ATOM 1390 CZ PHE A 86 -7.961 -2.256 2.694 1.00 0.00 C ATOM 0 H PHE A 86 -4.956 -5.159 0.819 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.491 -6.363 3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.999 -6.834 1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.765 -6.753 3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.936 -4.281 4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.187 -5.126 0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.786 -1.978 4.456 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.029 -2.820 0.932 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.333 -1.242 2.689 1.00 0.00 H new ATOM 1400 N LYS A 87 -4.789 -8.821 2.630 1.00 0.00 N ATOM 1401 CA LYS A 87 -4.506 -10.162 2.130 1.00 0.00 C ATOM 1402 C LYS A 87 -5.584 -11.144 2.582 1.00 0.00 C ATOM 1403 O LYS A 87 -5.761 -11.374 3.776 1.00 0.00 O ATOM 1404 CB LYS A 87 -3.135 -10.628 2.634 1.00 0.00 C ATOM 1405 CG LYS A 87 -2.579 -11.851 1.914 1.00 0.00 C ATOM 1406 CD LYS A 87 -3.434 -13.087 2.141 1.00 0.00 C ATOM 1407 CE LYS A 87 -2.767 -14.333 1.581 1.00 0.00 C ATOM 1408 NZ LYS A 87 -1.444 -14.588 2.218 1.00 0.00 N ATOM 0 H LYS A 87 -5.091 -8.789 3.604 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.499 -10.130 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.426 -9.807 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.210 -10.851 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.517 -11.645 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.564 -12.045 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.613 -13.217 3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.407 -12.950 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.417 -15.194 1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.637 -14.223 0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.370 -15.593 2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.685 -14.345 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.352 -14.004 3.074 1.00 0.00 H new ATOM 1422 N SER A 88 -6.294 -11.726 1.620 1.00 0.00 N ATOM 1423 CA SER A 88 -7.348 -12.691 1.923 1.00 0.00 C ATOM 1424 C SER A 88 -6.837 -14.122 1.771 1.00 0.00 C ATOM 1425 O SER A 88 -5.928 -14.387 0.984 1.00 0.00 O ATOM 1426 CB SER A 88 -8.549 -12.473 1.005 1.00 0.00 C ATOM 1427 OG SER A 88 -9.587 -13.392 1.293 1.00 0.00 O ATOM 0 H SER A 88 -6.159 -11.547 0.625 1.00 0.00 H new ATOM 0 HA SER A 88 -7.655 -12.539 2.958 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.919 -11.454 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.240 -12.583 -0.035 1.00 0.00 H new ATOM 0 HG SER A 88 -9.837 -13.317 2.238 1.00 0.00 H new ATOM 1433 N GLY A 89 -7.429 -15.040 2.526 1.00 0.00 N ATOM 1434 CA GLY A 89 -7.023 -16.431 2.460 1.00 0.00 C ATOM 1435 C GLY A 89 -7.255 -17.166 3.764 1.00 0.00 C ATOM 1436 O GLY A 89 -8.432 -17.346 4.143 1.00 0.00 O ATOM 1437 OXT GLY A 89 -6.261 -17.566 4.406 1.00 0.00 O ATOM 0 H GLY A 89 -8.184 -14.845 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.574 -16.930 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.966 -16.486 2.199 1.00 0.00 H new TER 1441 GLY A 89