USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=32 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 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 27 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Set 2.2: A 31 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Set 2.3: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 13 MET CE :methyl 142:sc= -6.75! (180deg=-9.78!) USER MOD Set 3.2: A 17 MET CE :methyl -120:sc= -9.79! (180deg=-24.2!) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.21 (180deg=-0.805) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0257 (180deg=-0.432) USER MOD Single : A 2 SER OG : rot 30:sc= 0.475 USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0387 (180deg=-0.263) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= -0.0181 (180deg=-0.21) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -12.7! C(o=-13!,f=-17!) USER MOD Single : A 19 GLN : amide:sc= 1.06 K(o=1.1,f=-0.38) USER MOD Single : A 24 CYS SG : rot 62:sc= -0.634 USER MOD Single : A 26 THR OG1 : rot 67:sc= 1.13 USER MOD Single : A 29 MET CE :methyl -140:sc= -2.32! (180deg=-4.93!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.18 X(o=-1.2,f=-0.71!) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.0655 (180deg=-0.349) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= -2.71! (180deg=-5.44!) USER MOD Single : A 49 LYS NZ :NH3+ 150:sc= 0.509 (180deg=0.168) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 130:sc= -2.56 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.08! C(o=-4.5!,f=-1.1!) USER MOD Single : A 64 SER OG : rot -101:sc= 1.88 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.0617 F(o=-1.3,f=-0.062) USER MOD Single : A 70 THR OG1 : rot 63:sc= 0.916 USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= -0.173 (180deg=-0.708) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.0225 F(o=-1.3,f=-0.022) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 80 GLN : amide:sc= -2.14! C(o=-2.1!,f=-1.8!) USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= -0.0721 (180deg=-0.519) USER MOD Single : A 88 SER OG : rot 53:sc= 0.459 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.951 20.554 6.124 1.00 0.00 N ATOM 2 CA MET A 1 4.765 19.459 6.713 1.00 0.00 C ATOM 3 C MET A 1 5.174 18.443 5.653 1.00 0.00 C ATOM 4 O MET A 1 4.420 17.521 5.339 1.00 0.00 O ATOM 5 CB MET A 1 3.942 18.777 7.810 1.00 0.00 C ATOM 6 CG MET A 1 3.532 19.713 8.934 1.00 0.00 C ATOM 7 SD MET A 1 2.559 18.885 10.207 1.00 0.00 S ATOM 8 CE MET A 1 3.712 17.626 10.751 1.00 0.00 C ATOM 0 H1 MET A 1 3.944 21.368 6.771 1.00 0.00 H new ATOM 0 H2 MET A 1 4.362 20.840 5.213 1.00 0.00 H new ATOM 0 H3 MET A 1 2.977 20.221 5.975 1.00 0.00 H new ATOM 0 HA MET A 1 5.679 19.879 7.133 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.046 18.344 7.364 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.521 17.953 8.228 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.425 20.143 9.387 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.954 20.540 8.521 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.434 17.284 11.748 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.686 16.785 10.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.719 18.042 10.779 1.00 0.00 H new ATOM 20 N SER A 2 6.371 18.617 5.105 1.00 0.00 N ATOM 21 CA SER A 2 6.881 17.713 4.080 1.00 0.00 C ATOM 22 C SER A 2 6.982 16.289 4.612 1.00 0.00 C ATOM 23 O SER A 2 7.698 16.025 5.578 1.00 0.00 O ATOM 24 CB SER A 2 8.251 18.186 3.590 1.00 0.00 C ATOM 25 OG SER A 2 9.188 18.221 4.653 1.00 0.00 O ATOM 0 H SER A 2 7.007 19.375 5.353 1.00 0.00 H new ATOM 0 HA SER A 2 6.182 17.720 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.610 17.520 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.160 19.178 3.148 1.00 0.00 H new ATOM 0 HG SER A 2 8.957 17.537 5.315 1.00 0.00 H new ATOM 31 N ASP A 3 6.259 15.371 3.977 1.00 0.00 N ATOM 32 CA ASP A 3 6.266 13.974 4.388 1.00 0.00 C ATOM 33 C ASP A 3 6.031 13.054 3.195 1.00 0.00 C ATOM 34 O ASP A 3 4.920 12.568 2.982 1.00 0.00 O ATOM 35 CB ASP A 3 5.198 13.728 5.454 1.00 0.00 C ATOM 36 CG ASP A 3 5.415 14.570 6.696 1.00 0.00 C ATOM 37 OD1 ASP A 3 6.484 14.431 7.330 1.00 0.00 O ATOM 38 OD2 ASP A 3 4.519 15.370 7.036 1.00 0.00 O ATOM 0 H ASP A 3 5.661 15.571 3.175 1.00 0.00 H new ATOM 0 HA ASP A 3 7.247 13.751 4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.215 13.948 5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.199 12.673 5.729 1.00 0.00 H new ATOM 43 N ARG A 4 7.085 12.817 2.420 1.00 0.00 N ATOM 44 CA ARG A 4 6.992 11.953 1.248 1.00 0.00 C ATOM 45 C ARG A 4 8.107 10.911 1.242 1.00 0.00 C ATOM 46 O ARG A 4 8.531 10.449 0.184 1.00 0.00 O ATOM 47 CB ARG A 4 7.048 12.784 -0.028 1.00 0.00 C ATOM 48 CG ARG A 4 8.284 13.655 -0.132 1.00 0.00 C ATOM 49 CD ARG A 4 8.227 14.518 -1.374 1.00 0.00 C ATOM 50 NE ARG A 4 8.312 13.724 -2.597 1.00 0.00 N ATOM 51 CZ ARG A 4 8.289 14.246 -3.821 1.00 0.00 C ATOM 52 NH1 ARG A 4 8.183 15.558 -3.990 1.00 0.00 N ATOM 53 NH2 ARG A 4 8.371 13.453 -4.882 1.00 0.00 N ATOM 0 H ARG A 4 8.012 13.210 2.582 1.00 0.00 H new ATOM 0 HA ARG A 4 6.037 11.430 1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.011 12.116 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.162 13.417 -0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.365 14.287 0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.175 13.028 -0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.298 15.089 -1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.044 15.239 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 4 8.394 12.711 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.119 16.173 -3.179 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.166 15.951 -4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.452 12.444 -4.759 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.353 13.853 -5.820 1.00 0.00 H new ATOM 67 N LYS A 5 8.575 10.545 2.432 1.00 0.00 N ATOM 68 CA LYS A 5 9.639 9.559 2.563 1.00 0.00 C ATOM 69 C LYS A 5 9.081 8.213 3.017 1.00 0.00 C ATOM 70 O LYS A 5 9.755 7.455 3.714 1.00 0.00 O ATOM 71 CB LYS A 5 10.697 10.048 3.551 1.00 0.00 C ATOM 72 CG LYS A 5 10.153 10.307 4.947 1.00 0.00 C ATOM 73 CD LYS A 5 11.244 10.791 5.889 1.00 0.00 C ATOM 74 CE LYS A 5 10.700 11.053 7.284 1.00 0.00 C ATOM 75 NZ LYS A 5 10.110 9.826 7.892 1.00 0.00 N ATOM 0 H LYS A 5 8.233 10.917 3.318 1.00 0.00 H new ATOM 0 HA LYS A 5 10.101 9.427 1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.494 9.307 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.143 10.966 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.358 11.051 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.710 9.393 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.038 10.046 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.689 11.704 5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.502 11.424 7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.942 11.835 7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.953 9.983 8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.203 9.611 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.762 9.026 7.762 1.00 0.00 H new ATOM 89 N ALA A 6 7.847 7.924 2.615 1.00 0.00 N ATOM 90 CA ALA A 6 7.197 6.670 2.979 1.00 0.00 C ATOM 91 C ALA A 6 6.999 6.571 4.488 1.00 0.00 C ATOM 92 O ALA A 6 7.910 6.860 5.263 1.00 0.00 O ATOM 93 CB ALA A 6 8.007 5.487 2.470 1.00 0.00 C ATOM 0 H ALA A 6 7.277 8.542 2.037 1.00 0.00 H new ATOM 0 HA ALA A 6 6.214 6.650 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.509 4.558 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.089 5.542 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.003 5.512 2.911 1.00 0.00 H new ATOM 99 N VAL A 7 5.804 6.157 4.897 1.00 0.00 N ATOM 100 CA VAL A 7 5.487 6.018 6.313 1.00 0.00 C ATOM 101 C VAL A 7 4.466 4.909 6.538 1.00 0.00 C ATOM 102 O VAL A 7 3.672 4.594 5.652 1.00 0.00 O ATOM 103 CB VAL A 7 4.936 7.335 6.894 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.688 7.203 8.389 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.886 8.486 6.603 1.00 0.00 C ATOM 0 H VAL A 7 5.040 5.912 4.268 1.00 0.00 H new ATOM 0 HA VAL A 7 6.415 5.763 6.825 1.00 0.00 H new ATOM 0 HB VAL A 7 3.982 7.549 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.299 8.144 8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.963 6.409 8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.624 6.961 8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.480 9.407 7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.857 8.280 7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.003 8.597 5.525 1.00 0.00 H new ATOM 115 N ILE A 8 4.490 4.320 7.730 1.00 0.00 N ATOM 116 CA ILE A 8 3.564 3.247 8.069 1.00 0.00 C ATOM 117 C ILE A 8 2.887 3.511 9.411 1.00 0.00 C ATOM 118 O ILE A 8 3.540 3.547 10.453 1.00 0.00 O ATOM 119 CB ILE A 8 4.273 1.877 8.111 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.865 1.547 6.739 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.309 0.783 8.554 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.559 0.205 6.687 1.00 0.00 C ATOM 0 H ILE A 8 5.140 4.568 8.476 1.00 0.00 H new ATOM 0 HA ILE A 8 2.807 3.222 7.285 1.00 0.00 H new ATOM 0 HB ILE A 8 5.083 1.930 8.838 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.068 1.564 5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.576 2.325 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.830 -0.174 8.576 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.930 1.013 9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.476 0.726 7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.954 0.038 5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.378 0.191 7.407 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.847 -0.583 6.932 1.00 0.00 H new ATOM 134 N LYS A 9 1.572 3.692 9.373 1.00 0.00 N ATOM 135 CA LYS A 9 0.796 3.949 10.580 1.00 0.00 C ATOM 136 C LYS A 9 0.499 2.647 11.318 1.00 0.00 C ATOM 137 O LYS A 9 0.381 2.627 12.543 1.00 0.00 O ATOM 138 CB LYS A 9 -0.512 4.660 10.228 1.00 0.00 C ATOM 139 CG LYS A 9 -1.360 5.011 11.441 1.00 0.00 C ATOM 140 CD LYS A 9 -0.632 5.969 12.370 1.00 0.00 C ATOM 141 CE LYS A 9 -0.299 7.279 11.674 1.00 0.00 C ATOM 142 NZ LYS A 9 -1.521 7.972 11.180 1.00 0.00 N ATOM 0 H LYS A 9 1.019 3.665 8.516 1.00 0.00 H new ATOM 0 HA LYS A 9 1.385 4.592 11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.283 5.573 9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.093 4.024 9.561 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.297 5.461 11.113 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.616 4.101 11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.250 6.168 13.245 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.286 5.503 12.728 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.234 7.932 12.365 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.372 7.085 10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.276 8.938 10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.914 7.449 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.228 8.014 11.942 1.00 0.00 H new ATOM 156 N ASN A 10 0.379 1.560 10.560 1.00 0.00 N ATOM 157 CA ASN A 10 0.097 0.252 11.139 1.00 0.00 C ATOM 158 C ASN A 10 0.511 -0.864 10.183 1.00 0.00 C ATOM 159 O ASN A 10 0.207 -0.818 8.992 1.00 0.00 O ATOM 160 CB ASN A 10 -1.391 0.131 11.474 1.00 0.00 C ATOM 161 CG ASN A 10 -1.738 -1.205 12.103 1.00 0.00 C ATOM 162 OD1 ASN A 10 -1.218 -1.558 13.162 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.620 -1.955 11.453 1.00 0.00 N ATOM 0 H ASN A 10 0.473 1.560 9.544 1.00 0.00 H new ATOM 0 HA ASN A 10 0.677 0.153 12.057 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.673 0.934 12.155 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.977 0.264 10.564 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.892 -2.864 11.828 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.026 -1.623 10.578 1.00 0.00 H new ATOM 170 N ALA A 11 1.207 -1.865 10.714 1.00 0.00 N ATOM 171 CA ALA A 11 1.662 -2.992 9.909 1.00 0.00 C ATOM 172 C ALA A 11 1.028 -4.295 10.380 1.00 0.00 C ATOM 173 O ALA A 11 1.068 -4.622 11.567 1.00 0.00 O ATOM 174 CB ALA A 11 3.178 -3.096 9.959 1.00 0.00 C ATOM 0 H ALA A 11 1.468 -1.918 11.699 1.00 0.00 H new ATOM 0 HA ALA A 11 1.352 -2.819 8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.505 -3.942 9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.619 -2.179 9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.499 -3.242 10.990 1.00 0.00 H new ATOM 180 N ASP A 12 0.441 -5.035 9.445 1.00 0.00 N ATOM 181 CA ASP A 12 -0.206 -6.299 9.774 1.00 0.00 C ATOM 182 C ASP A 12 0.393 -7.460 8.978 1.00 0.00 C ATOM 183 O ASP A 12 0.185 -8.624 9.319 1.00 0.00 O ATOM 184 CB ASP A 12 -1.712 -6.200 9.510 1.00 0.00 C ATOM 185 CG ASP A 12 -2.459 -7.469 9.876 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.211 -8.512 9.235 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.293 -7.419 10.804 1.00 0.00 O ATOM 0 H ASP A 12 0.400 -4.782 8.458 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.036 -6.498 10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.122 -5.366 10.080 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.877 -5.978 8.456 1.00 0.00 H new ATOM 192 N MET A 13 1.133 -7.151 7.912 1.00 0.00 N ATOM 193 CA MET A 13 1.736 -8.195 7.088 1.00 0.00 C ATOM 194 C MET A 13 3.122 -8.600 7.605 1.00 0.00 C ATOM 195 O MET A 13 4.090 -8.658 6.849 1.00 0.00 O ATOM 196 CB MET A 13 1.819 -7.742 5.631 1.00 0.00 C ATOM 197 CG MET A 13 2.331 -8.818 4.683 1.00 0.00 C ATOM 198 SD MET A 13 1.362 -10.332 4.756 1.00 0.00 S ATOM 199 CE MET A 13 -0.205 -9.741 4.130 1.00 0.00 C ATOM 0 H MET A 13 1.327 -6.198 7.603 1.00 0.00 H new ATOM 0 HA MET A 13 1.095 -9.074 7.149 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.830 -7.422 5.303 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.473 -6.873 5.567 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.318 -8.433 3.663 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.369 -9.045 4.925 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.657 -10.506 3.499 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.870 -9.520 4.965 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.045 -8.836 3.544 1.00 0.00 H new ATOM 209 N SER A 14 3.193 -8.894 8.900 1.00 0.00 N ATOM 210 CA SER A 14 4.429 -9.317 9.550 1.00 0.00 C ATOM 211 C SER A 14 5.451 -8.195 9.604 1.00 0.00 C ATOM 212 O SER A 14 5.813 -7.718 10.678 1.00 0.00 O ATOM 213 CB SER A 14 5.024 -10.530 8.831 1.00 0.00 C ATOM 214 OG SER A 14 4.120 -11.621 8.836 1.00 0.00 O ATOM 0 H SER A 14 2.392 -8.845 9.530 1.00 0.00 H new ATOM 0 HA SER A 14 4.179 -9.592 10.575 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.270 -10.263 7.803 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.955 -10.823 9.316 1.00 0.00 H new ATOM 0 HG SER A 14 4.523 -12.382 8.369 1.00 0.00 H new ATOM 220 N GLU A 15 5.907 -7.788 8.430 1.00 0.00 N ATOM 221 CA GLU A 15 6.905 -6.720 8.300 1.00 0.00 C ATOM 222 C GLU A 15 7.478 -6.689 6.880 1.00 0.00 C ATOM 223 O GLU A 15 7.788 -5.621 6.328 1.00 0.00 O ATOM 224 CB GLU A 15 8.048 -6.922 9.308 1.00 0.00 C ATOM 225 CG GLU A 15 8.972 -5.722 9.447 1.00 0.00 C ATOM 226 CD GLU A 15 9.759 -5.429 8.186 1.00 0.00 C ATOM 227 OE1 GLU A 15 10.513 -6.317 7.737 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.624 -4.309 7.649 1.00 0.00 O ATOM 0 H GLU A 15 5.602 -8.182 7.540 1.00 0.00 H new ATOM 0 HA GLU A 15 6.410 -5.771 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.621 -7.153 10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.637 -7.787 9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.381 -4.845 9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.666 -5.899 10.269 1.00 0.00 H new ATOM 235 N ASP A 16 7.634 -7.873 6.299 1.00 0.00 N ATOM 236 CA ASP A 16 8.185 -8.007 4.954 1.00 0.00 C ATOM 237 C ASP A 16 7.467 -7.107 3.956 1.00 0.00 C ATOM 238 O ASP A 16 8.104 -6.498 3.097 1.00 0.00 O ATOM 239 CB ASP A 16 8.122 -9.466 4.496 1.00 0.00 C ATOM 240 CG ASP A 16 6.711 -10.024 4.507 1.00 0.00 C ATOM 241 OD1 ASP A 16 5.863 -9.514 3.746 1.00 0.00 O ATOM 242 OD2 ASP A 16 6.455 -10.971 5.278 1.00 0.00 O ATOM 0 H ASP A 16 7.386 -8.758 6.740 1.00 0.00 H new ATOM 0 HA ASP A 16 9.227 -7.690 4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.531 -9.544 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.753 -10.073 5.144 1.00 0.00 H new ATOM 247 N MET A 17 6.147 -7.017 4.065 1.00 0.00 N ATOM 248 CA MET A 17 5.382 -6.178 3.155 1.00 0.00 C ATOM 249 C MET A 17 5.610 -4.709 3.467 1.00 0.00 C ATOM 250 O MET A 17 5.377 -3.846 2.622 1.00 0.00 O ATOM 251 CB MET A 17 3.894 -6.515 3.205 1.00 0.00 C ATOM 252 CG MET A 17 3.067 -5.752 2.183 1.00 0.00 C ATOM 253 SD MET A 17 1.394 -6.404 2.013 1.00 0.00 S ATOM 254 CE MET A 17 1.727 -8.030 1.339 1.00 0.00 C ATOM 0 H MET A 17 5.591 -7.508 4.765 1.00 0.00 H new ATOM 0 HA MET A 17 5.733 -6.377 2.142 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.766 -7.585 3.039 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.514 -6.299 4.203 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.016 -4.703 2.474 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.567 -5.790 1.215 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.245 -8.126 0.366 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.803 -8.164 1.226 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.336 -8.791 2.015 1.00 0.00 H new ATOM 264 N GLN A 18 6.102 -4.421 4.667 1.00 0.00 N ATOM 265 CA GLN A 18 6.394 -3.050 5.034 1.00 0.00 C ATOM 266 C GLN A 18 7.538 -2.571 4.162 1.00 0.00 C ATOM 267 O GLN A 18 7.473 -1.508 3.548 1.00 0.00 O ATOM 268 CB GLN A 18 6.782 -2.943 6.506 1.00 0.00 C ATOM 269 CG GLN A 18 5.862 -3.708 7.438 1.00 0.00 C ATOM 270 CD GLN A 18 4.400 -3.369 7.256 1.00 0.00 C ATOM 271 OE1 GLN A 18 4.011 -2.202 7.270 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.580 -4.403 7.103 1.00 0.00 N ATOM 0 H GLN A 18 6.303 -5.112 5.390 1.00 0.00 H new ATOM 0 HA GLN A 18 5.507 -2.435 4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.800 -3.312 6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.786 -1.892 6.796 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.002 -4.777 7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.149 -3.501 8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.952 -5.353 7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.578 -4.247 6.990 1.00 0.00 H new ATOM 281 N GLN A 19 8.581 -3.395 4.090 1.00 0.00 N ATOM 282 CA GLN A 19 9.739 -3.074 3.268 1.00 0.00 C ATOM 283 C GLN A 19 9.392 -3.157 1.784 1.00 0.00 C ATOM 284 O GLN A 19 9.851 -2.342 0.981 1.00 0.00 O ATOM 285 CB GLN A 19 10.904 -4.016 3.578 1.00 0.00 C ATOM 286 CG GLN A 19 11.404 -3.921 5.011 1.00 0.00 C ATOM 287 CD GLN A 19 12.628 -4.780 5.255 1.00 0.00 C ATOM 288 OE1 GLN A 19 13.671 -4.587 4.632 1.00 0.00 O ATOM 289 NE2 GLN A 19 12.509 -5.738 6.168 1.00 0.00 N ATOM 0 H GLN A 19 8.646 -4.283 4.588 1.00 0.00 H new ATOM 0 HA GLN A 19 10.039 -2.053 3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.593 -5.041 3.379 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.728 -3.795 2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.641 -2.882 5.242 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.609 -4.226 5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.626 -5.865 6.662 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.301 -6.347 6.375 1.00 0.00 H new ATOM 298 N ASP A 20 8.580 -4.146 1.426 1.00 0.00 N ATOM 299 CA ASP A 20 8.176 -4.338 0.037 1.00 0.00 C ATOM 300 C ASP A 20 7.192 -3.259 -0.406 1.00 0.00 C ATOM 301 O ASP A 20 7.487 -2.466 -1.298 1.00 0.00 O ATOM 302 CB ASP A 20 7.549 -5.721 -0.146 1.00 0.00 C ATOM 303 CG ASP A 20 8.503 -6.844 0.215 1.00 0.00 C ATOM 304 OD1 ASP A 20 9.651 -6.546 0.608 1.00 0.00 O ATOM 305 OD2 ASP A 20 8.102 -8.022 0.106 1.00 0.00 O ATOM 0 H ASP A 20 8.189 -4.827 2.077 1.00 0.00 H new ATOM 0 HA ASP A 20 9.068 -4.263 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.655 -5.796 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.231 -5.838 -1.182 1.00 0.00 H new ATOM 310 N ALA A 21 6.023 -3.242 0.224 1.00 0.00 N ATOM 311 CA ALA A 21 4.984 -2.268 -0.101 1.00 0.00 C ATOM 312 C ALA A 21 5.550 -0.855 -0.165 1.00 0.00 C ATOM 313 O ALA A 21 5.249 -0.097 -1.089 1.00 0.00 O ATOM 314 CB ALA A 21 3.858 -2.339 0.918 1.00 0.00 C ATOM 0 H ALA A 21 5.769 -3.894 0.966 1.00 0.00 H new ATOM 0 HA ALA A 21 4.588 -2.516 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.091 -1.608 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.423 -3.339 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.252 -2.121 1.911 1.00 0.00 H new ATOM 320 N VAL A 22 6.374 -0.504 0.816 1.00 0.00 N ATOM 321 CA VAL A 22 6.980 0.820 0.857 1.00 0.00 C ATOM 322 C VAL A 22 7.841 1.067 -0.379 1.00 0.00 C ATOM 323 O VAL A 22 7.663 2.064 -1.078 1.00 0.00 O ATOM 324 CB VAL A 22 7.828 1.013 2.134 1.00 0.00 C ATOM 325 CG1 VAL A 22 8.656 2.289 2.054 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.929 1.045 3.360 1.00 0.00 C ATOM 0 H VAL A 22 6.636 -1.115 1.590 1.00 0.00 H new ATOM 0 HA VAL A 22 6.167 1.546 0.870 1.00 0.00 H new ATOM 0 HB VAL A 22 8.513 0.170 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.243 2.400 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.326 2.235 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.993 3.147 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.538 1.181 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.223 1.871 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.381 0.106 3.434 1.00 0.00 H new ATOM 336 N ASP A 23 8.773 0.156 -0.652 1.00 0.00 N ATOM 337 CA ASP A 23 9.645 0.294 -1.813 1.00 0.00 C ATOM 338 C ASP A 23 8.840 0.237 -3.100 1.00 0.00 C ATOM 339 O ASP A 23 9.203 0.860 -4.095 1.00 0.00 O ATOM 340 CB ASP A 23 10.724 -0.792 -1.809 1.00 0.00 C ATOM 341 CG ASP A 23 11.672 -0.673 -2.987 1.00 0.00 C ATOM 342 OD1 ASP A 23 11.196 -0.749 -4.141 1.00 0.00 O ATOM 343 OD2 ASP A 23 12.887 -0.504 -2.757 1.00 0.00 O ATOM 0 H ASP A 23 8.942 -0.678 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 23 10.134 1.267 -1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.293 -0.731 -0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.248 -1.773 -1.827 1.00 0.00 H new ATOM 348 N CYS A 24 7.731 -0.491 -3.072 1.00 0.00 N ATOM 349 CA CYS A 24 6.871 -0.586 -4.240 1.00 0.00 C ATOM 350 C CYS A 24 6.151 0.738 -4.439 1.00 0.00 C ATOM 351 O CYS A 24 5.873 1.149 -5.565 1.00 0.00 O ATOM 352 CB CYS A 24 5.869 -1.728 -4.081 1.00 0.00 C ATOM 353 SG CYS A 24 6.640 -3.357 -3.926 1.00 0.00 S ATOM 0 H CYS A 24 7.410 -1.019 -2.261 1.00 0.00 H new ATOM 0 HA CYS A 24 7.480 -0.799 -5.119 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.256 -1.541 -3.200 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.199 -1.734 -4.941 1.00 0.00 H new ATOM 0 HG CYS A 24 7.381 -3.387 -2.858 1.00 0.00 H new ATOM 359 N ALA A 25 5.882 1.418 -3.327 1.00 0.00 N ATOM 360 CA ALA A 25 5.230 2.715 -3.362 1.00 0.00 C ATOM 361 C ALA A 25 6.260 3.812 -3.620 1.00 0.00 C ATOM 362 O ALA A 25 5.930 4.878 -4.138 1.00 0.00 O ATOM 363 CB ALA A 25 4.485 2.972 -2.059 1.00 0.00 C ATOM 0 H ALA A 25 6.108 1.087 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 25 4.504 2.722 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.002 3.948 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.730 2.200 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.189 2.952 -1.227 1.00 0.00 H new ATOM 369 N THR A 26 7.519 3.532 -3.273 1.00 0.00 N ATOM 370 CA THR A 26 8.597 4.486 -3.485 1.00 0.00 C ATOM 371 C THR A 26 9.056 4.424 -4.934 1.00 0.00 C ATOM 372 O THR A 26 9.280 5.452 -5.575 1.00 0.00 O ATOM 373 CB THR A 26 9.769 4.189 -2.547 1.00 0.00 C ATOM 374 OG1 THR A 26 9.357 4.256 -1.194 1.00 0.00 O ATOM 375 CG2 THR A 26 10.933 5.143 -2.719 1.00 0.00 C ATOM 0 H THR A 26 7.811 2.653 -2.845 1.00 0.00 H new ATOM 0 HA THR A 26 8.229 5.489 -3.267 1.00 0.00 H new ATOM 0 HB THR A 26 10.101 3.185 -2.811 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.736 3.522 -1.004 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.729 4.875 -2.024 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.307 5.080 -3.741 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.602 6.161 -2.516 1.00 0.00 H new ATOM 383 N GLN A 27 9.173 3.205 -5.449 1.00 0.00 N ATOM 384 CA GLN A 27 9.581 2.995 -6.832 1.00 0.00 C ATOM 385 C GLN A 27 8.427 3.318 -7.772 1.00 0.00 C ATOM 386 O GLN A 27 8.638 3.733 -8.911 1.00 0.00 O ATOM 387 CB GLN A 27 10.042 1.551 -7.040 1.00 0.00 C ATOM 388 CG GLN A 27 10.488 1.254 -8.462 1.00 0.00 C ATOM 389 CD GLN A 27 10.933 -0.183 -8.645 1.00 0.00 C ATOM 390 OE1 GLN A 27 11.871 -0.643 -7.993 1.00 0.00 O ATOM 391 NE2 GLN A 27 10.262 -0.902 -9.537 1.00 0.00 N ATOM 0 H GLN A 27 8.991 2.347 -4.928 1.00 0.00 H new ATOM 0 HA GLN A 27 10.415 3.661 -7.054 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.866 1.340 -6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.228 0.877 -6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.668 1.467 -9.148 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.308 1.921 -8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.491 -0.481 -10.055 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.517 -1.875 -9.704 1.00 0.00 H new ATOM 400 N ALA A 28 7.204 3.133 -7.281 1.00 0.00 N ATOM 401 CA ALA A 28 6.018 3.417 -8.076 1.00 0.00 C ATOM 402 C ALA A 28 5.848 4.920 -8.264 1.00 0.00 C ATOM 403 O ALA A 28 5.617 5.397 -9.374 1.00 0.00 O ATOM 404 CB ALA A 28 4.782 2.819 -7.422 1.00 0.00 C ATOM 0 H ALA A 28 7.011 2.789 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 28 6.144 2.959 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.905 3.041 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.901 1.739 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.653 3.248 -6.428 1.00 0.00 H new ATOM 410 N MET A 29 5.973 5.662 -7.168 1.00 0.00 N ATOM 411 CA MET A 29 5.846 7.113 -7.210 1.00 0.00 C ATOM 412 C MET A 29 7.086 7.747 -7.836 1.00 0.00 C ATOM 413 O MET A 29 7.029 8.859 -8.360 1.00 0.00 O ATOM 414 CB MET A 29 5.625 7.672 -5.803 1.00 0.00 C ATOM 415 CG MET A 29 4.336 7.196 -5.154 1.00 0.00 C ATOM 416 SD MET A 29 2.869 7.704 -6.070 1.00 0.00 S ATOM 417 CE MET A 29 1.575 6.998 -5.054 1.00 0.00 C ATOM 0 H MET A 29 6.162 5.282 -6.241 1.00 0.00 H new ATOM 0 HA MET A 29 4.982 7.359 -7.827 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.467 7.387 -5.172 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.617 8.761 -5.851 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.353 6.109 -5.076 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.279 7.587 -4.138 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.796 6.582 -5.693 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.993 6.208 -4.430 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.147 7.774 -4.419 1.00 0.00 H new ATOM 427 N GLU A 30 8.205 7.030 -7.782 1.00 0.00 N ATOM 428 CA GLU A 30 9.453 7.521 -8.351 1.00 0.00 C ATOM 429 C GLU A 30 9.442 7.368 -9.867 1.00 0.00 C ATOM 430 O GLU A 30 9.713 8.319 -10.601 1.00 0.00 O ATOM 431 CB GLU A 30 10.644 6.765 -7.756 1.00 0.00 C ATOM 432 CG GLU A 30 11.988 7.222 -8.298 1.00 0.00 C ATOM 433 CD GLU A 30 12.259 8.689 -8.027 1.00 0.00 C ATOM 434 OE1 GLU A 30 12.291 9.077 -6.840 1.00 0.00 O ATOM 435 OE2 GLU A 30 12.439 9.449 -9.001 1.00 0.00 O ATOM 0 H GLU A 30 8.272 6.108 -7.350 1.00 0.00 H new ATOM 0 HA GLU A 30 9.551 8.579 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.638 6.889 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.524 5.700 -7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.779 6.621 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.022 7.043 -9.373 1.00 0.00 H new ATOM 442 N LYS A 31 9.122 6.163 -10.331 1.00 0.00 N ATOM 443 CA LYS A 31 9.069 5.884 -11.761 1.00 0.00 C ATOM 444 C LYS A 31 7.746 6.351 -12.363 1.00 0.00 C ATOM 445 O LYS A 31 7.664 6.631 -13.559 1.00 0.00 O ATOM 446 CB LYS A 31 9.260 4.390 -12.021 1.00 0.00 C ATOM 447 CG LYS A 31 10.617 3.863 -11.584 1.00 0.00 C ATOM 448 CD LYS A 31 10.763 2.379 -11.886 1.00 0.00 C ATOM 449 CE LYS A 31 12.134 1.861 -11.490 1.00 0.00 C ATOM 450 NZ LYS A 31 12.282 0.406 -11.774 1.00 0.00 N ATOM 0 H LYS A 31 8.896 5.365 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 31 9.879 6.435 -12.239 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.480 3.837 -11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.130 4.196 -13.086 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.405 4.418 -12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.747 4.032 -10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.994 1.821 -11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.601 2.206 -12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.901 2.416 -12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.297 2.042 -10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.953 -0.013 -11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.358 -0.062 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.639 0.276 -12.742 1.00 0.00 H new ATOM 464 N TYR A 32 6.711 6.435 -11.530 1.00 0.00 N ATOM 465 CA TYR A 32 5.396 6.869 -11.991 1.00 0.00 C ATOM 466 C TYR A 32 4.783 7.871 -11.019 1.00 0.00 C ATOM 467 O TYR A 32 5.284 8.063 -9.913 1.00 0.00 O ATOM 468 CB TYR A 32 4.466 5.666 -12.157 1.00 0.00 C ATOM 469 CG TYR A 32 4.964 4.648 -13.157 1.00 0.00 C ATOM 470 CD1 TYR A 32 5.183 4.997 -14.484 1.00 0.00 C ATOM 471 CD2 TYR A 32 5.216 3.336 -12.774 1.00 0.00 C ATOM 472 CE1 TYR A 32 5.637 4.068 -15.401 1.00 0.00 C ATOM 473 CE2 TYR A 32 5.671 2.402 -13.686 1.00 0.00 C ATOM 474 CZ TYR A 32 5.880 2.772 -14.997 1.00 0.00 C ATOM 475 OH TYR A 32 6.333 1.846 -15.907 1.00 0.00 O ATOM 0 H TYR A 32 6.758 6.209 -10.536 1.00 0.00 H new ATOM 0 HA TYR A 32 5.521 7.357 -12.958 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.338 5.180 -11.190 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.483 6.018 -12.469 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.995 6.011 -14.804 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.054 3.041 -11.748 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.801 4.356 -16.429 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.862 1.386 -13.372 1.00 0.00 H new ATOM 0 HH TYR A 32 6.455 0.982 -15.461 1.00 0.00 H new ATOM 485 N ASN A 33 3.696 8.510 -11.440 1.00 0.00 N ATOM 486 CA ASN A 33 3.017 9.493 -10.604 1.00 0.00 C ATOM 487 C ASN A 33 1.573 9.696 -11.058 1.00 0.00 C ATOM 488 O ASN A 33 1.094 10.826 -11.158 1.00 0.00 O ATOM 489 CB ASN A 33 3.768 10.826 -10.637 1.00 0.00 C ATOM 490 CG ASN A 33 3.875 11.395 -12.038 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.866 11.667 -12.689 1.00 0.00 O ATOM 492 ND2 ASN A 33 5.102 11.581 -12.509 1.00 0.00 N ATOM 0 H ASN A 33 3.267 8.365 -12.354 1.00 0.00 H new ATOM 0 HA ASN A 33 3.005 9.115 -9.582 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.257 11.543 -9.995 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.768 10.686 -10.227 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.236 11.963 -13.445 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.910 11.342 -11.935 1.00 0.00 H new ATOM 499 N ILE A 34 0.883 8.593 -11.330 1.00 0.00 N ATOM 500 CA ILE A 34 -0.505 8.649 -11.773 1.00 0.00 C ATOM 501 C ILE A 34 -1.465 8.439 -10.602 1.00 0.00 C ATOM 502 O ILE A 34 -2.650 8.756 -10.696 1.00 0.00 O ATOM 503 CB ILE A 34 -0.787 7.598 -12.862 1.00 0.00 C ATOM 504 CG1 ILE A 34 0.261 7.705 -13.972 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.189 7.781 -13.429 1.00 0.00 C ATOM 506 CD1 ILE A 34 0.054 6.723 -15.103 1.00 0.00 C ATOM 0 H ILE A 34 1.263 7.650 -11.251 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.668 9.642 -12.192 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.727 6.604 -12.418 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.248 8.718 -14.375 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.250 7.546 -13.542 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.372 7.030 -14.197 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.922 7.669 -12.630 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.278 8.776 -13.866 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.835 6.859 -15.851 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.098 5.706 -14.714 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.920 6.895 -15.561 1.00 0.00 H new ATOM 518 N GLU A 35 -0.935 7.911 -9.497 1.00 0.00 N ATOM 519 CA GLU A 35 -1.719 7.660 -8.284 1.00 0.00 C ATOM 520 C GLU A 35 -2.546 6.380 -8.389 1.00 0.00 C ATOM 521 O GLU A 35 -2.471 5.516 -7.514 1.00 0.00 O ATOM 522 CB GLU A 35 -2.638 8.846 -7.967 1.00 0.00 C ATOM 523 CG GLU A 35 -1.903 10.171 -7.849 1.00 0.00 C ATOM 524 CD GLU A 35 -2.831 11.330 -7.536 1.00 0.00 C ATOM 525 OE1 GLU A 35 -4.052 11.098 -7.408 1.00 0.00 O ATOM 526 OE2 GLU A 35 -2.335 12.470 -7.416 1.00 0.00 O ATOM 0 H GLU A 35 0.047 7.646 -9.417 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.004 7.534 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.394 8.928 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.164 8.648 -7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.148 10.094 -7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.377 10.374 -8.782 1.00 0.00 H new ATOM 533 N LYS A 36 -3.339 6.259 -9.449 1.00 0.00 N ATOM 534 CA LYS A 36 -4.178 5.078 -9.633 1.00 0.00 C ATOM 535 C LYS A 36 -3.364 3.915 -10.185 1.00 0.00 C ATOM 536 O LYS A 36 -3.507 2.780 -9.733 1.00 0.00 O ATOM 537 CB LYS A 36 -5.364 5.398 -10.552 1.00 0.00 C ATOM 538 CG LYS A 36 -4.971 5.767 -11.975 1.00 0.00 C ATOM 539 CD LYS A 36 -4.909 4.546 -12.885 1.00 0.00 C ATOM 540 CE LYS A 36 -6.282 3.917 -13.074 1.00 0.00 C ATOM 541 NZ LYS A 36 -7.260 4.881 -13.651 1.00 0.00 N ATOM 0 H LYS A 36 -3.419 6.957 -10.188 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.569 4.782 -8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.028 4.534 -10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.932 6.221 -10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.690 6.482 -12.376 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.000 6.262 -11.966 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.504 4.835 -13.855 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.226 3.810 -12.461 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.197 3.050 -13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.651 3.556 -12.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.078 4.361 -14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.579 5.537 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.807 5.418 -14.417 1.00 0.00 H new ATOM 555 N ASP A 37 -2.498 4.202 -11.148 1.00 0.00 N ATOM 556 CA ASP A 37 -1.655 3.168 -11.733 1.00 0.00 C ATOM 557 C ASP A 37 -0.625 2.689 -10.715 1.00 0.00 C ATOM 558 O ASP A 37 -0.046 1.612 -10.857 1.00 0.00 O ATOM 559 CB ASP A 37 -0.961 3.689 -12.993 1.00 0.00 C ATOM 560 CG ASP A 37 -1.945 3.972 -14.110 1.00 0.00 C ATOM 561 OD1 ASP A 37 -2.621 3.024 -14.561 1.00 0.00 O ATOM 562 OD2 ASP A 37 -2.045 5.143 -14.533 1.00 0.00 O ATOM 0 H ASP A 37 -2.361 5.134 -11.538 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.285 2.324 -12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.413 4.600 -12.754 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.229 2.956 -13.332 1.00 0.00 H new ATOM 567 N ILE A 38 -0.415 3.496 -9.676 1.00 0.00 N ATOM 568 CA ILE A 38 0.527 3.159 -8.620 1.00 0.00 C ATOM 569 C ILE A 38 -0.031 2.040 -7.751 1.00 0.00 C ATOM 570 O ILE A 38 0.612 1.006 -7.559 1.00 0.00 O ATOM 571 CB ILE A 38 0.829 4.383 -7.731 1.00 0.00 C ATOM 572 CG1 ILE A 38 1.303 5.558 -8.588 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.871 4.036 -6.676 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.583 5.282 -9.344 1.00 0.00 C ATOM 0 H ILE A 38 -0.888 4.390 -9.547 1.00 0.00 H new ATOM 0 HA ILE A 38 1.451 2.831 -9.096 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.089 4.674 -7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.519 5.816 -9.300 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.450 6.427 -7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.070 4.912 -6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.497 3.227 -6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.792 3.719 -7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.857 6.160 -9.929 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.381 5.054 -8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.436 4.433 -10.011 1.00 0.00 H new ATOM 586 N ALA A 39 -1.239 2.248 -7.233 1.00 0.00 N ATOM 587 CA ALA A 39 -1.886 1.253 -6.388 1.00 0.00 C ATOM 588 C ALA A 39 -2.044 -0.071 -7.127 1.00 0.00 C ATOM 589 O ALA A 39 -2.086 -1.136 -6.512 1.00 0.00 O ATOM 590 CB ALA A 39 -3.241 1.762 -5.915 1.00 0.00 C ATOM 0 H ALA A 39 -1.787 3.095 -7.384 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.252 1.081 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.713 1.008 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.105 2.680 -5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.876 1.962 -6.778 1.00 0.00 H new ATOM 596 N ALA A 40 -2.124 0.005 -8.451 1.00 0.00 N ATOM 597 CA ALA A 40 -2.270 -1.188 -9.273 1.00 0.00 C ATOM 598 C ALA A 40 -0.940 -1.903 -9.428 1.00 0.00 C ATOM 599 O ALA A 40 -0.884 -3.127 -9.416 1.00 0.00 O ATOM 600 CB ALA A 40 -2.846 -0.829 -10.635 1.00 0.00 C ATOM 0 H ALA A 40 -2.090 0.879 -8.976 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.962 -1.865 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.948 -1.732 -11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.824 -0.366 -10.506 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.178 -0.131 -11.140 1.00 0.00 H new ATOM 606 N TYR A 41 0.130 -1.135 -9.560 1.00 0.00 N ATOM 607 CA TYR A 41 1.460 -1.711 -9.702 1.00 0.00 C ATOM 608 C TYR A 41 1.889 -2.380 -8.402 1.00 0.00 C ATOM 609 O TYR A 41 2.707 -3.301 -8.403 1.00 0.00 O ATOM 610 CB TYR A 41 2.466 -0.631 -10.112 1.00 0.00 C ATOM 611 CG TYR A 41 3.883 -1.136 -10.290 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.633 -1.566 -9.202 1.00 0.00 C ATOM 613 CD2 TYR A 41 4.467 -1.182 -11.550 1.00 0.00 C ATOM 614 CE1 TYR A 41 5.925 -2.027 -9.364 1.00 0.00 C ATOM 615 CE2 TYR A 41 5.759 -1.644 -11.720 1.00 0.00 C ATOM 616 CZ TYR A 41 6.483 -2.064 -10.624 1.00 0.00 C ATOM 617 OH TYR A 41 7.771 -2.523 -10.789 1.00 0.00 O ATOM 0 H TYR A 41 0.105 -0.115 -9.572 1.00 0.00 H new ATOM 0 HA TYR A 41 1.431 -2.469 -10.485 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.134 -0.177 -11.046 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.465 0.156 -9.357 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.199 -1.539 -8.214 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.903 -0.852 -12.410 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.495 -2.357 -8.508 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.199 -1.676 -12.706 1.00 0.00 H new ATOM 0 HH TYR A 41 8.013 -2.485 -11.738 1.00 0.00 H new ATOM 627 N ILE A 42 1.313 -1.927 -7.294 1.00 0.00 N ATOM 628 CA ILE A 42 1.619 -2.493 -5.992 1.00 0.00 C ATOM 629 C ILE A 42 0.885 -3.811 -5.820 1.00 0.00 C ATOM 630 O ILE A 42 1.491 -4.842 -5.527 1.00 0.00 O ATOM 631 CB ILE A 42 1.234 -1.529 -4.851 1.00 0.00 C ATOM 632 CG1 ILE A 42 2.010 -0.217 -4.983 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.496 -2.168 -3.494 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.589 0.836 -3.982 1.00 0.00 C ATOM 0 H ILE A 42 0.631 -1.169 -7.275 1.00 0.00 H new ATOM 0 HA ILE A 42 2.695 -2.660 -5.942 1.00 0.00 H new ATOM 0 HB ILE A 42 0.168 -1.314 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.074 -0.419 -4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.875 0.176 -5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.218 -1.471 -2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.904 -3.078 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.554 -2.413 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.180 1.739 -4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.533 1.067 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.750 0.462 -2.971 1.00 0.00 H new ATOM 646 N LYS A 43 -0.426 -3.780 -6.027 1.00 0.00 N ATOM 647 CA LYS A 43 -1.232 -4.982 -5.915 1.00 0.00 C ATOM 648 C LYS A 43 -0.845 -5.962 -7.013 1.00 0.00 C ATOM 649 O LYS A 43 -0.839 -7.175 -6.803 1.00 0.00 O ATOM 650 CB LYS A 43 -2.725 -4.651 -5.999 1.00 0.00 C ATOM 651 CG LYS A 43 -3.176 -4.183 -7.374 1.00 0.00 C ATOM 652 CD LYS A 43 -4.675 -3.929 -7.408 1.00 0.00 C ATOM 653 CE LYS A 43 -5.150 -3.558 -8.804 1.00 0.00 C ATOM 654 NZ LYS A 43 -6.622 -3.337 -8.849 1.00 0.00 N ATOM 0 H LYS A 43 -0.948 -2.939 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.044 -5.438 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.299 -5.535 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.957 -3.876 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.644 -3.270 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.915 -4.934 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.203 -4.820 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.924 -3.127 -6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.637 -2.655 -9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.880 -4.351 -9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.906 -3.086 -9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.113 -4.207 -8.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.877 -2.563 -8.202 1.00 0.00 H new ATOM 668 N LYS A 44 -0.517 -5.427 -8.192 1.00 0.00 N ATOM 669 CA LYS A 44 -0.125 -6.262 -9.314 1.00 0.00 C ATOM 670 C LYS A 44 1.135 -7.054 -8.985 1.00 0.00 C ATOM 671 O LYS A 44 1.204 -8.260 -9.225 1.00 0.00 O ATOM 672 CB LYS A 44 0.117 -5.408 -10.561 1.00 0.00 C ATOM 673 CG LYS A 44 0.139 -6.219 -11.838 1.00 0.00 C ATOM 674 CD LYS A 44 -1.237 -6.782 -12.126 1.00 0.00 C ATOM 675 CE LYS A 44 -2.183 -5.704 -12.633 1.00 0.00 C ATOM 676 NZ LYS A 44 -3.541 -6.247 -12.921 1.00 0.00 N ATOM 0 H LYS A 44 -0.517 -4.426 -8.387 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.939 -6.960 -9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.663 -4.650 -10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.065 -4.881 -10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.465 -5.593 -12.669 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.860 -7.031 -11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.158 -7.577 -12.867 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.645 -7.230 -11.220 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.260 -4.910 -11.891 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.772 -5.256 -13.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.155 -5.481 -13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.472 -6.987 -13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.945 -6.652 -12.052 1.00 0.00 H new ATOM 690 N GLU A 45 2.133 -6.367 -8.436 1.00 0.00 N ATOM 691 CA GLU A 45 3.395 -7.005 -8.078 1.00 0.00 C ATOM 692 C GLU A 45 3.178 -8.141 -7.081 1.00 0.00 C ATOM 693 O GLU A 45 3.629 -9.264 -7.304 1.00 0.00 O ATOM 694 CB GLU A 45 4.367 -5.975 -7.500 1.00 0.00 C ATOM 695 CG GLU A 45 5.716 -6.560 -7.116 1.00 0.00 C ATOM 696 CD GLU A 45 6.696 -5.506 -6.641 1.00 0.00 C ATOM 697 OE1 GLU A 45 6.334 -4.310 -6.650 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.829 -5.873 -6.265 1.00 0.00 O ATOM 0 H GLU A 45 2.092 -5.369 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 45 3.825 -7.429 -8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.519 -5.181 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.916 -5.516 -6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.576 -7.301 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.138 -7.083 -7.974 1.00 0.00 H new ATOM 705 N PHE A 46 2.485 -7.848 -5.984 1.00 0.00 N ATOM 706 CA PHE A 46 2.216 -8.860 -4.965 1.00 0.00 C ATOM 707 C PHE A 46 1.266 -9.928 -5.497 1.00 0.00 C ATOM 708 O PHE A 46 1.314 -11.081 -5.071 1.00 0.00 O ATOM 709 CB PHE A 46 1.627 -8.223 -3.702 1.00 0.00 C ATOM 710 CG PHE A 46 2.613 -7.420 -2.901 1.00 0.00 C ATOM 711 CD1 PHE A 46 3.193 -6.277 -3.426 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.955 -7.807 -1.615 1.00 0.00 C ATOM 713 CE1 PHE A 46 4.094 -5.536 -2.685 1.00 0.00 C ATOM 714 CE2 PHE A 46 3.857 -7.072 -0.869 1.00 0.00 C ATOM 715 CZ PHE A 46 4.427 -5.934 -1.405 1.00 0.00 C ATOM 0 H PHE A 46 2.102 -6.925 -5.778 1.00 0.00 H new ATOM 0 HA PHE A 46 3.165 -9.331 -4.709 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.796 -7.578 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.217 -9.010 -3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.938 -5.961 -4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.511 -8.695 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.538 -4.646 -3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.116 -7.387 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.131 -5.357 -0.825 1.00 0.00 H new ATOM 725 N ASP A 47 0.400 -9.536 -6.425 1.00 0.00 N ATOM 726 CA ASP A 47 -0.564 -10.461 -7.011 1.00 0.00 C ATOM 727 C ASP A 47 0.130 -11.471 -7.922 1.00 0.00 C ATOM 728 O ASP A 47 -0.361 -12.582 -8.120 1.00 0.00 O ATOM 729 CB ASP A 47 -1.626 -9.691 -7.799 1.00 0.00 C ATOM 730 CG ASP A 47 -2.671 -10.603 -8.410 1.00 0.00 C ATOM 731 OD1 ASP A 47 -2.298 -11.474 -9.225 1.00 0.00 O ATOM 732 OD2 ASP A 47 -3.865 -10.449 -8.073 1.00 0.00 O ATOM 0 H ASP A 47 0.346 -8.584 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.046 -11.005 -6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.115 -8.975 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.142 -9.117 -8.590 1.00 0.00 H new ATOM 737 N LYS A 48 1.274 -11.077 -8.474 1.00 0.00 N ATOM 738 CA LYS A 48 2.032 -11.948 -9.365 1.00 0.00 C ATOM 739 C LYS A 48 3.033 -12.798 -8.587 1.00 0.00 C ATOM 740 O LYS A 48 3.394 -13.894 -9.015 1.00 0.00 O ATOM 741 CB LYS A 48 2.763 -11.114 -10.419 1.00 0.00 C ATOM 742 CG LYS A 48 3.580 -11.948 -11.395 1.00 0.00 C ATOM 743 CD LYS A 48 4.193 -11.097 -12.502 1.00 0.00 C ATOM 744 CE LYS A 48 5.215 -10.104 -11.964 1.00 0.00 C ATOM 745 NZ LYS A 48 4.580 -8.987 -11.210 1.00 0.00 N ATOM 0 H LYS A 48 1.696 -10.161 -8.320 1.00 0.00 H new ATOM 0 HA LYS A 48 1.329 -12.618 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.033 -10.528 -10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.423 -10.407 -9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.373 -12.465 -10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.944 -12.714 -11.838 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.671 -11.747 -13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.403 -10.556 -13.023 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.916 -10.626 -11.313 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.793 -9.696 -12.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.984 -8.082 -11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.555 -8.988 -11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.757 -9.110 -10.193 1.00 0.00 H new ATOM 759 N LYS A 49 3.481 -12.287 -7.444 1.00 0.00 N ATOM 760 CA LYS A 49 4.445 -13.003 -6.615 1.00 0.00 C ATOM 761 C LYS A 49 3.744 -13.795 -5.515 1.00 0.00 C ATOM 762 O LYS A 49 4.003 -14.985 -5.333 1.00 0.00 O ATOM 763 CB LYS A 49 5.445 -12.023 -5.998 1.00 0.00 C ATOM 764 CG LYS A 49 6.258 -11.256 -7.027 1.00 0.00 C ATOM 765 CD LYS A 49 7.244 -10.310 -6.365 1.00 0.00 C ATOM 766 CE LYS A 49 8.065 -9.549 -7.394 1.00 0.00 C ATOM 767 NZ LYS A 49 9.042 -8.627 -6.754 1.00 0.00 N ATOM 0 H LYS A 49 3.193 -11.382 -7.072 1.00 0.00 H new ATOM 0 HA LYS A 49 4.981 -13.706 -7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.906 -11.313 -5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.124 -12.572 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.797 -11.958 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.587 -10.690 -7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.704 -9.604 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.910 -10.875 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.597 -10.257 -8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.398 -8.979 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.875 -8.523 -7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.599 -7.697 -6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.336 -9.016 -5.835 1.00 0.00 H new ATOM 781 N TYR A 50 2.859 -13.128 -4.781 1.00 0.00 N ATOM 782 CA TYR A 50 2.125 -13.775 -3.697 1.00 0.00 C ATOM 783 C TYR A 50 0.797 -14.347 -4.188 1.00 0.00 C ATOM 784 O TYR A 50 -0.033 -14.779 -3.387 1.00 0.00 O ATOM 785 CB TYR A 50 1.877 -12.784 -2.559 1.00 0.00 C ATOM 786 CG TYR A 50 3.143 -12.280 -1.902 1.00 0.00 C ATOM 787 CD1 TYR A 50 4.088 -11.564 -2.625 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.391 -12.521 -0.557 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.247 -11.104 -2.026 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.546 -12.063 0.049 1.00 0.00 C ATOM 791 CZ TYR A 50 5.469 -11.356 -0.690 1.00 0.00 C ATOM 792 OH TYR A 50 6.621 -10.900 -0.090 1.00 0.00 O ATOM 0 H TYR A 50 2.633 -12.143 -4.916 1.00 0.00 H new ATOM 0 HA TYR A 50 2.734 -14.600 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.316 -11.933 -2.946 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.252 -13.261 -1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.915 -11.363 -3.672 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.670 -13.075 0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.974 -10.551 -2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.724 -12.258 1.096 1.00 0.00 H new ATOM 0 HH TYR A 50 6.623 -11.161 0.855 1.00 0.00 H new ATOM 802 N ASN A 51 0.598 -14.351 -5.505 1.00 0.00 N ATOM 803 CA ASN A 51 -0.632 -14.874 -6.089 1.00 0.00 C ATOM 804 C ASN A 51 -1.846 -14.091 -5.594 1.00 0.00 C ATOM 805 O ASN A 51 -1.820 -13.507 -4.511 1.00 0.00 O ATOM 806 CB ASN A 51 -0.793 -16.356 -5.748 1.00 0.00 C ATOM 807 CG ASN A 51 0.358 -17.198 -6.264 1.00 0.00 C ATOM 808 OD1 ASN A 51 0.614 -17.246 -7.467 1.00 0.00 O ATOM 809 ND2 ASN A 51 1.057 -17.866 -5.356 1.00 0.00 N ATOM 0 H ASN A 51 1.272 -13.999 -6.185 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.567 -14.762 -7.171 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.867 -16.471 -4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.727 -16.724 -6.172 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.843 -18.449 -5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.809 -17.797 -4.369 1.00 0.00 H new ATOM 816 N PRO A 52 -2.934 -14.067 -6.384 1.00 0.00 N ATOM 817 CA PRO A 52 -4.159 -13.351 -6.018 1.00 0.00 C ATOM 818 C PRO A 52 -4.748 -13.857 -4.701 1.00 0.00 C ATOM 819 O PRO A 52 -4.280 -14.859 -4.160 1.00 0.00 O ATOM 820 CB PRO A 52 -5.117 -13.643 -7.179 1.00 0.00 C ATOM 821 CG PRO A 52 -4.240 -14.051 -8.313 1.00 0.00 C ATOM 822 CD PRO A 52 -3.054 -14.734 -7.693 1.00 0.00 C ATOM 0 HA PRO A 52 -3.976 -12.288 -5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.820 -14.434 -6.920 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.707 -12.763 -7.434 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.766 -14.722 -8.992 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.930 -13.185 -8.898 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.216 -15.807 -7.586 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.154 -14.606 -8.295 1.00 0.00 H new ATOM 830 N THR A 53 -5.776 -13.176 -4.177 1.00 0.00 N ATOM 831 CA THR A 53 -6.346 -11.982 -4.808 1.00 0.00 C ATOM 832 C THR A 53 -6.280 -10.788 -3.859 1.00 0.00 C ATOM 833 O THR A 53 -7.143 -10.619 -2.999 1.00 0.00 O ATOM 834 CB THR A 53 -7.798 -12.242 -5.214 1.00 0.00 C ATOM 835 OG1 THR A 53 -8.360 -11.096 -5.826 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.688 -12.623 -4.050 1.00 0.00 C ATOM 0 H THR A 53 -6.234 -13.439 -3.304 1.00 0.00 H new ATOM 0 HA THR A 53 -5.761 -11.753 -5.699 1.00 0.00 H new ATOM 0 HB THR A 53 -7.757 -13.081 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.288 -11.283 -6.080 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.703 -12.793 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.310 -13.534 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.693 -11.817 -3.316 1.00 0.00 H new ATOM 844 N TRP A 54 -5.252 -9.962 -4.026 1.00 0.00 N ATOM 845 CA TRP A 54 -5.074 -8.785 -3.186 1.00 0.00 C ATOM 846 C TRP A 54 -5.770 -7.575 -3.803 1.00 0.00 C ATOM 847 O TRP A 54 -6.252 -7.635 -4.934 1.00 0.00 O ATOM 848 CB TRP A 54 -3.585 -8.482 -2.996 1.00 0.00 C ATOM 849 CG TRP A 54 -2.800 -9.641 -2.458 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.654 -10.869 -3.036 1.00 0.00 C ATOM 851 CD2 TRP A 54 -2.050 -9.680 -1.236 1.00 0.00 C ATOM 852 NE1 TRP A 54 -1.861 -11.670 -2.251 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.478 -10.965 -1.141 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.806 -8.758 -0.211 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.679 -11.346 -0.065 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -1.013 -9.140 0.853 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.458 -10.424 0.918 1.00 0.00 C ATOM 0 H TRP A 54 -4.530 -10.087 -4.736 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.521 -8.992 -2.214 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.160 -8.179 -3.953 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.479 -7.636 -2.317 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.098 -11.167 -3.974 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.600 -12.633 -2.461 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.230 -7.766 -0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.250 -12.335 -0.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.817 -8.436 1.649 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.158 -10.691 1.764 1.00 0.00 H new ATOM 868 N HIS A 55 -5.818 -6.479 -3.054 1.00 0.00 N ATOM 869 CA HIS A 55 -6.451 -5.255 -3.531 1.00 0.00 C ATOM 870 C HIS A 55 -5.868 -4.038 -2.821 1.00 0.00 C ATOM 871 O HIS A 55 -6.160 -3.788 -1.652 1.00 0.00 O ATOM 872 CB HIS A 55 -7.962 -5.317 -3.314 1.00 0.00 C ATOM 873 CG HIS A 55 -8.690 -4.100 -3.796 1.00 0.00 C ATOM 874 ND1 HIS A 55 -8.661 -3.677 -5.108 1.00 0.00 N ATOM 875 CD2 HIS A 55 -9.470 -3.214 -3.133 1.00 0.00 C ATOM 876 CE1 HIS A 55 -9.392 -2.584 -5.232 1.00 0.00 C ATOM 877 NE2 HIS A 55 -9.893 -2.281 -4.048 1.00 0.00 N ATOM 0 H HIS A 55 -5.426 -6.413 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.254 -5.162 -4.599 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.358 -6.193 -3.827 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.162 -5.452 -2.251 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.714 -3.237 -2.081 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.553 -2.032 -6.146 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.496 -1.484 -3.846 1.00 0.00 H new ATOM 886 N CYS A 56 -5.035 -3.291 -3.534 1.00 0.00 N ATOM 887 CA CYS A 56 -4.399 -2.102 -2.977 1.00 0.00 C ATOM 888 C CYS A 56 -5.385 -0.940 -2.888 1.00 0.00 C ATOM 889 O CYS A 56 -6.266 -0.791 -3.736 1.00 0.00 O ATOM 890 CB CYS A 56 -3.196 -1.704 -3.832 1.00 0.00 C ATOM 891 SG CYS A 56 -2.302 -0.257 -3.223 1.00 0.00 S ATOM 0 H CYS A 56 -4.783 -3.488 -4.503 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.062 -2.338 -1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.507 -2.547 -3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.536 -1.506 -4.848 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.032 -0.526 -3.161 1.00 0.00 H new ATOM 897 N ILE A 57 -5.226 -0.116 -1.854 1.00 0.00 N ATOM 898 CA ILE A 57 -6.095 1.037 -1.650 1.00 0.00 C ATOM 899 C ILE A 57 -5.332 2.332 -1.854 1.00 0.00 C ATOM 900 O ILE A 57 -4.154 2.422 -1.526 1.00 0.00 O ATOM 901 CB ILE A 57 -6.697 1.060 -0.234 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.435 -0.241 0.061 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.624 2.250 -0.069 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.460 -0.613 -0.989 1.00 0.00 C ATOM 0 H ILE A 57 -4.502 -0.227 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.898 0.949 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.881 1.157 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.708 -1.049 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.933 -0.155 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.040 2.250 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.065 3.172 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.433 2.184 -0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.943 -1.549 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.210 0.175 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.966 -0.733 -1.953 1.00 0.00 H new ATOM 916 N VAL A 58 -6.012 3.336 -2.390 1.00 0.00 N ATOM 917 CA VAL A 58 -5.391 4.624 -2.628 1.00 0.00 C ATOM 918 C VAL A 58 -6.278 5.772 -2.144 1.00 0.00 C ATOM 919 O VAL A 58 -6.732 6.603 -2.930 1.00 0.00 O ATOM 920 CB VAL A 58 -5.065 4.790 -4.121 1.00 0.00 C ATOM 921 CG1 VAL A 58 -6.325 5.015 -4.948 1.00 0.00 C ATOM 922 CG2 VAL A 58 -4.055 5.908 -4.325 1.00 0.00 C ATOM 0 H VAL A 58 -6.992 3.280 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.463 4.659 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.616 3.861 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.056 5.128 -5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.992 4.161 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.830 5.918 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.836 6.011 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.467 6.844 -3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.137 5.672 -3.787 1.00 0.00 H new ATOM 932 N GLY A 59 -6.512 5.814 -0.837 1.00 0.00 N ATOM 933 CA GLY A 59 -7.336 6.863 -0.265 1.00 0.00 C ATOM 934 C GLY A 59 -7.051 7.085 1.207 1.00 0.00 C ATOM 935 O GLY A 59 -6.163 7.861 1.563 1.00 0.00 O ATOM 0 H GLY A 59 -6.146 5.141 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.166 7.792 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.387 6.606 -0.394 1.00 0.00 H new ATOM 939 N ARG A 60 -7.804 6.404 2.064 1.00 0.00 N ATOM 940 CA ARG A 60 -7.625 6.533 3.505 1.00 0.00 C ATOM 941 C ARG A 60 -7.409 5.169 4.156 1.00 0.00 C ATOM 942 O ARG A 60 -6.273 4.749 4.373 1.00 0.00 O ATOM 943 CB ARG A 60 -8.828 7.245 4.131 1.00 0.00 C ATOM 944 CG ARG A 60 -9.008 8.674 3.646 1.00 0.00 C ATOM 945 CD ARG A 60 -10.211 9.335 4.299 1.00 0.00 C ATOM 946 NE ARG A 60 -11.452 8.618 4.014 1.00 0.00 N ATOM 947 CZ ARG A 60 -12.644 8.992 4.471 1.00 0.00 C ATOM 948 NH1 ARG A 60 -12.764 10.074 5.232 1.00 0.00 N ATOM 949 NH2 ARG A 60 -13.723 8.282 4.166 1.00 0.00 N ATOM 0 H ARG A 60 -8.543 5.758 1.786 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.733 7.134 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.732 6.678 3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.714 7.250 5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.110 9.251 3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.132 8.679 2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.058 9.381 5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.297 10.362 3.945 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.401 7.783 3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.939 10.624 5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.681 10.355 5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.638 7.450 3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.637 8.568 4.516 1.00 0.00 H new ATOM 963 N ASN A 61 -8.503 4.482 4.468 1.00 0.00 N ATOM 964 CA ASN A 61 -8.423 3.168 5.098 1.00 0.00 C ATOM 965 C ASN A 61 -9.707 2.369 4.889 1.00 0.00 C ATOM 966 O ASN A 61 -9.959 1.396 5.599 1.00 0.00 O ATOM 967 CB ASN A 61 -8.171 3.323 6.603 1.00 0.00 C ATOM 968 CG ASN A 61 -9.389 3.823 7.390 1.00 0.00 C ATOM 969 OD1 ASN A 61 -10.467 4.209 6.699 1.00 0.00 O flip ATOM 970 ND2 ASN A 61 -9.351 3.872 8.619 1.00 0.00 N flip ATOM 0 H ASN A 61 -9.453 4.811 4.296 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.598 2.629 4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.858 2.361 7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.344 4.017 6.753 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.513 3.570 9.116 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.158 4.215 9.141 1.00 0.00 H new ATOM 977 N PHE A 62 -10.538 2.804 3.946 1.00 0.00 N ATOM 978 CA PHE A 62 -11.804 2.139 3.706 1.00 0.00 C ATOM 979 C PHE A 62 -11.609 0.647 3.456 1.00 0.00 C ATOM 980 O PHE A 62 -12.311 -0.186 4.030 1.00 0.00 O ATOM 981 CB PHE A 62 -12.556 2.807 2.548 1.00 0.00 C ATOM 982 CG PHE A 62 -11.697 3.119 1.352 1.00 0.00 C ATOM 983 CD1 PHE A 62 -11.317 2.122 0.467 1.00 0.00 C ATOM 984 CD2 PHE A 62 -11.264 4.415 1.121 1.00 0.00 C ATOM 985 CE1 PHE A 62 -10.519 2.414 -0.624 1.00 0.00 C ATOM 986 CE2 PHE A 62 -10.469 4.713 0.032 1.00 0.00 C ATOM 987 CZ PHE A 62 -10.094 3.713 -0.841 1.00 0.00 C ATOM 0 H PHE A 62 -10.356 3.607 3.344 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.413 2.239 4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.372 2.155 2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.007 3.732 2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.647 1.107 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.552 5.202 1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.228 1.629 -1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -10.141 5.728 -0.136 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.470 3.943 -1.692 1.00 0.00 H new ATOM 997 N GLY A 63 -10.640 0.315 2.613 1.00 0.00 N ATOM 998 CA GLY A 63 -10.350 -1.075 2.316 1.00 0.00 C ATOM 999 C GLY A 63 -11.304 -1.694 1.312 1.00 0.00 C ATOM 1000 O GLY A 63 -10.978 -2.698 0.683 1.00 0.00 O ATOM 0 H GLY A 63 -10.047 0.987 2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.333 -1.151 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.386 -1.650 3.241 1.00 0.00 H new ATOM 1004 N SER A 64 -12.486 -1.104 1.162 1.00 0.00 N ATOM 1005 CA SER A 64 -13.495 -1.610 0.231 1.00 0.00 C ATOM 1006 C SER A 64 -14.095 -2.926 0.730 1.00 0.00 C ATOM 1007 O SER A 64 -15.313 -3.060 0.840 1.00 0.00 O ATOM 1008 CB SER A 64 -12.895 -1.802 -1.166 1.00 0.00 C ATOM 1009 OG SER A 64 -13.891 -2.167 -2.106 1.00 0.00 O ATOM 0 H SER A 64 -12.772 -0.270 1.675 1.00 0.00 H new ATOM 0 HA SER A 64 -14.293 -0.869 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.410 -0.880 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.125 -2.572 -1.131 1.00 0.00 H new ATOM 0 HG SER A 64 -13.853 -3.133 -2.264 1.00 0.00 H new ATOM 1015 N TYR A 65 -13.231 -3.888 1.025 1.00 0.00 N ATOM 1016 CA TYR A 65 -13.667 -5.195 1.509 1.00 0.00 C ATOM 1017 C TYR A 65 -12.504 -5.976 2.119 1.00 0.00 C ATOM 1018 O TYR A 65 -12.043 -6.970 1.560 1.00 0.00 O ATOM 1019 CB TYR A 65 -14.317 -5.997 0.378 1.00 0.00 C ATOM 1020 CG TYR A 65 -13.685 -5.792 -0.985 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -12.364 -6.148 -1.232 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -14.417 -5.238 -2.027 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -11.793 -5.959 -2.476 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -13.855 -5.045 -3.275 1.00 0.00 C ATOM 1025 CZ TYR A 65 -12.543 -5.407 -3.493 1.00 0.00 C ATOM 1026 OH TYR A 65 -11.978 -5.217 -4.733 1.00 0.00 O ATOM 0 H TYR A 65 -12.220 -3.789 0.938 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.408 -5.032 2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.272 -7.057 0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.372 -5.728 0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.774 -6.580 -0.437 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.445 -4.953 -1.859 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -10.765 -6.242 -2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.440 -4.614 -4.074 1.00 0.00 H new ATOM 0 HH TYR A 65 -12.640 -4.820 -5.337 1.00 0.00 H new ATOM 1036 N VAL A 66 -12.032 -5.510 3.270 1.00 0.00 N ATOM 1037 CA VAL A 66 -10.913 -6.147 3.958 1.00 0.00 C ATOM 1038 C VAL A 66 -11.375 -7.208 4.962 1.00 0.00 C ATOM 1039 O VAL A 66 -11.233 -8.408 4.724 1.00 0.00 O ATOM 1040 CB VAL A 66 -10.055 -5.099 4.698 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -8.830 -5.744 5.326 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -9.645 -3.979 3.757 1.00 0.00 C ATOM 0 H VAL A 66 -12.408 -4.691 3.748 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.318 -6.638 3.188 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.661 -4.672 5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.242 -4.984 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.145 -6.505 6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.223 -6.206 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.041 -3.251 4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.063 -4.391 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.536 -3.490 3.364 1.00 0.00 H new ATOM 1052 N THR A 67 -11.896 -6.749 6.094 1.00 0.00 N ATOM 1053 CA THR A 67 -12.352 -7.634 7.169 1.00 0.00 C ATOM 1054 C THR A 67 -13.150 -8.831 6.661 1.00 0.00 C ATOM 1055 O THR A 67 -13.150 -9.889 7.292 1.00 0.00 O ATOM 1056 CB THR A 67 -13.194 -6.842 8.169 1.00 0.00 C ATOM 1057 OG1 THR A 67 -12.456 -5.754 8.697 1.00 0.00 O ATOM 1058 CG2 THR A 67 -13.683 -7.673 9.336 1.00 0.00 C ATOM 0 H THR A 67 -12.016 -5.756 6.296 1.00 0.00 H new ATOM 0 HA THR A 67 -11.459 -8.029 7.652 1.00 0.00 H new ATOM 0 HB THR A 67 -14.059 -6.496 7.603 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.013 -5.259 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 67 -14.274 -7.048 10.006 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.300 -8.492 8.966 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.828 -8.078 9.878 1.00 0.00 H new ATOM 1066 N HIS A 68 -13.838 -8.669 5.538 1.00 0.00 N ATOM 1067 CA HIS A 68 -14.646 -9.754 4.980 1.00 0.00 C ATOM 1068 C HIS A 68 -13.900 -11.088 4.993 1.00 0.00 C ATOM 1069 O HIS A 68 -14.525 -12.146 5.057 1.00 0.00 O ATOM 1070 CB HIS A 68 -15.098 -9.411 3.561 1.00 0.00 C ATOM 1071 CG HIS A 68 -16.190 -8.386 3.522 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -16.230 -7.153 2.968 1.00 0.00 N flip ATOM 1073 CD2 HIS A 68 -17.424 -8.581 4.109 1.00 0.00 C flip ATOM 1074 CE1 HIS A 68 -17.473 -6.630 3.227 1.00 0.00 C flip ATOM 1075 NE2 HIS A 68 -18.175 -7.512 3.916 1.00 0.00 N flip ATOM 0 H HIS A 68 -13.855 -7.805 4.997 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.525 -9.864 5.616 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.243 -9.044 2.993 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.443 -10.319 3.067 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.728 -9.469 4.643 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -17.821 -5.655 2.918 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -19.133 -7.388 4.243 1.00 0.00 H new ATOM 1084 N GLU A 69 -12.566 -11.035 4.951 1.00 0.00 N ATOM 1085 CA GLU A 69 -11.740 -12.249 4.977 1.00 0.00 C ATOM 1086 C GLU A 69 -10.293 -11.938 4.611 1.00 0.00 C ATOM 1087 O GLU A 69 -9.702 -12.593 3.753 1.00 0.00 O ATOM 1088 CB GLU A 69 -12.292 -13.318 4.025 1.00 0.00 C ATOM 1089 CG GLU A 69 -12.358 -12.869 2.576 1.00 0.00 C ATOM 1090 CD GLU A 69 -12.949 -13.927 1.665 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -14.113 -14.322 1.888 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -12.247 -14.362 0.726 1.00 0.00 O ATOM 0 H GLU A 69 -12.034 -10.166 4.899 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.771 -12.636 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.668 -14.209 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.291 -13.604 4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.956 -11.960 2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.355 -12.617 2.231 1.00 0.00 H new ATOM 1099 N THR A 70 -9.732 -10.934 5.268 1.00 0.00 N ATOM 1100 CA THR A 70 -8.358 -10.528 5.020 1.00 0.00 C ATOM 1101 C THR A 70 -7.421 -11.026 6.120 1.00 0.00 C ATOM 1102 O THR A 70 -6.811 -12.087 5.988 1.00 0.00 O ATOM 1103 CB THR A 70 -8.287 -9.005 4.902 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.961 -8.561 3.739 1.00 0.00 O ATOM 1105 CG2 THR A 70 -6.873 -8.464 4.852 1.00 0.00 C ATOM 0 H THR A 70 -10.211 -10.383 5.981 1.00 0.00 H new ATOM 0 HA THR A 70 -8.029 -10.978 4.083 1.00 0.00 H new ATOM 0 HB THR A 70 -8.765 -8.627 5.806 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.913 -8.784 3.807 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.902 -7.378 4.768 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.344 -8.744 5.763 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.354 -8.881 3.989 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.293 -10.242 7.192 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.415 -10.583 8.313 1.00 0.00 C ATOM 1115 C LYS A 71 -4.938 -10.418 7.935 1.00 0.00 C ATOM 1116 O LYS A 71 -4.078 -10.323 8.810 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.674 -12.012 8.806 1.00 0.00 C ATOM 1118 CG LYS A 71 -7.953 -12.178 9.620 1.00 0.00 C ATOM 1119 CD LYS A 71 -9.180 -11.653 8.885 1.00 0.00 C ATOM 1120 CE LYS A 71 -9.446 -10.190 9.210 1.00 0.00 C ATOM 1121 NZ LYS A 71 -9.766 -9.990 10.650 1.00 0.00 N ATOM 0 H LYS A 71 -7.791 -9.359 7.308 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.643 -9.890 9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.718 -12.678 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.828 -12.332 9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.097 -13.233 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.848 -11.652 10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.037 -11.767 7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.050 -12.250 9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.572 -9.595 8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.274 -9.828 8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.376 -9.154 10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.260 -10.829 11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.886 -9.847 11.185 1.00 0.00 H new ATOM 1135 N HIS A 72 -4.650 -10.377 6.634 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.284 -10.218 6.148 1.00 0.00 C ATOM 1137 C HIS A 72 -3.179 -8.981 5.259 1.00 0.00 C ATOM 1138 O HIS A 72 -3.150 -9.088 4.032 1.00 0.00 O ATOM 1139 CB HIS A 72 -2.855 -11.461 5.362 1.00 0.00 C ATOM 1140 CG HIS A 72 -2.818 -12.722 6.174 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -3.011 -12.937 7.497 1.00 0.00 N flip ATOM 1142 CD2 HIS A 72 -2.546 -13.958 5.624 1.00 0.00 C flip ATOM 1143 CE1 HIS A 72 -2.854 -14.282 7.718 1.00 0.00 C flip ATOM 1144 NE2 HIS A 72 -2.574 -14.876 6.573 1.00 0.00 N flip ATOM 0 H HIS A 72 -5.350 -10.452 5.896 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.623 -10.094 7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.539 -11.601 4.525 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.866 -11.286 4.939 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.342 -14.145 4.580 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.945 -14.775 8.675 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.408 -15.874 6.443 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.137 -7.811 5.884 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.053 -6.549 5.148 1.00 0.00 C ATOM 1155 C PHE A 73 -1.863 -5.711 5.611 1.00 0.00 C ATOM 1156 O PHE A 73 -1.044 -6.160 6.412 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.345 -5.751 5.347 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.579 -5.346 6.778 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -3.759 -4.411 7.391 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -5.603 -5.916 7.517 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.954 -4.050 8.707 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -5.806 -5.557 8.836 1.00 0.00 C ATOM 1163 CZ PHE A 73 -4.980 -4.623 9.433 1.00 0.00 C ATOM 0 H PHE A 73 -3.160 -7.706 6.898 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.916 -6.783 4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.312 -4.857 4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.190 -6.348 5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.955 -3.959 6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.250 -6.649 7.057 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.306 -3.320 9.170 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.610 -6.006 9.400 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.136 -4.342 10.464 1.00 0.00 H new ATOM 1173 N ILE A 74 -1.795 -4.475 5.113 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.730 -3.551 5.490 1.00 0.00 C ATOM 1175 C ILE A 74 -1.145 -2.099 5.250 1.00 0.00 C ATOM 1176 O ILE A 74 -1.608 -1.745 4.165 1.00 0.00 O ATOM 1177 CB ILE A 74 0.575 -3.827 4.720 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.663 -2.857 5.178 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.346 -3.708 3.221 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.980 -3.033 4.460 1.00 0.00 C ATOM 0 H ILE A 74 -2.467 -4.093 4.447 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.551 -3.711 6.553 1.00 0.00 H new ATOM 0 HB ILE A 74 0.901 -4.845 4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.312 -1.836 5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.824 -2.985 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.279 -3.906 2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.408 -4.431 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.002 -2.701 2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.701 -2.309 4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.355 -4.042 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.836 -2.875 3.391 1.00 0.00 H new ATOM 1192 N TYR A 75 -0.965 -1.263 6.271 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.304 0.157 6.176 1.00 0.00 C ATOM 1194 C TYR A 75 -0.038 1.004 6.081 1.00 0.00 C ATOM 1195 O TYR A 75 0.879 0.844 6.886 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.109 0.616 7.400 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.492 0.011 7.529 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -3.941 -0.974 6.660 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.353 0.438 8.533 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.205 -1.517 6.787 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.618 -0.101 8.666 1.00 0.00 C ATOM 1202 CZ TYR A 75 -6.039 -1.077 7.791 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.299 -1.615 7.920 1.00 0.00 O ATOM 0 H TYR A 75 -0.586 -1.544 7.175 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.907 0.288 5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.540 0.377 8.299 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.207 1.701 7.364 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.291 -1.322 5.871 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.028 1.204 9.221 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.538 -2.283 6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.274 0.242 9.453 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.758 -1.196 8.678 1.00 0.00 H new ATOM 1213 N PHE A 76 0.009 1.915 5.114 1.00 0.00 N ATOM 1214 CA PHE A 76 1.171 2.782 4.963 1.00 0.00 C ATOM 1215 C PHE A 76 0.795 4.108 4.313 1.00 0.00 C ATOM 1216 O PHE A 76 0.242 4.146 3.215 1.00 0.00 O ATOM 1217 CB PHE A 76 2.277 2.089 4.163 1.00 0.00 C ATOM 1218 CG PHE A 76 1.874 1.682 2.776 1.00 0.00 C ATOM 1219 CD1 PHE A 76 0.886 0.732 2.574 1.00 0.00 C ATOM 1220 CD2 PHE A 76 2.496 2.244 1.672 1.00 0.00 C ATOM 1221 CE1 PHE A 76 0.526 0.350 1.297 1.00 0.00 C ATOM 1222 CE2 PHE A 76 2.138 1.868 0.393 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.153 0.918 0.205 1.00 0.00 C ATOM 0 H PHE A 76 -0.733 2.071 4.432 1.00 0.00 H new ATOM 0 HA PHE A 76 1.551 2.992 5.963 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.135 2.758 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.603 1.204 4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.392 0.286 3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.269 2.984 1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.245 -0.392 1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.627 2.316 -0.459 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.873 0.620 -0.795 1.00 0.00 H new ATOM 1233 N TYR A 77 1.105 5.197 5.012 1.00 0.00 N ATOM 1234 CA TYR A 77 0.809 6.540 4.526 1.00 0.00 C ATOM 1235 C TYR A 77 2.002 7.116 3.773 1.00 0.00 C ATOM 1236 O TYR A 77 3.150 6.923 4.172 1.00 0.00 O ATOM 1237 CB TYR A 77 0.440 7.447 5.701 1.00 0.00 C ATOM 1238 CG TYR A 77 0.121 8.870 5.304 1.00 0.00 C ATOM 1239 CD1 TYR A 77 -0.914 9.152 4.423 1.00 0.00 C ATOM 1240 CD2 TYR A 77 0.852 9.933 5.821 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -1.211 10.454 4.065 1.00 0.00 C ATOM 1242 CE2 TYR A 77 0.561 11.235 5.468 1.00 0.00 C ATOM 1243 CZ TYR A 77 -0.470 11.492 4.591 1.00 0.00 C ATOM 1244 OH TYR A 77 -0.764 12.789 4.238 1.00 0.00 O ATOM 0 H TYR A 77 1.564 5.174 5.923 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.035 6.483 3.838 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.421 7.023 6.217 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.265 7.456 6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.497 8.341 4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.660 9.737 6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.019 10.657 3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.140 12.050 5.878 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.150 13.400 4.696 1.00 0.00 H new ATOM 1254 N LEU A 78 1.724 7.822 2.684 1.00 0.00 N ATOM 1255 CA LEU A 78 2.779 8.423 1.877 1.00 0.00 C ATOM 1256 C LEU A 78 2.260 9.640 1.119 1.00 0.00 C ATOM 1257 O LEU A 78 1.154 9.625 0.578 1.00 0.00 O ATOM 1258 CB LEU A 78 3.354 7.398 0.894 1.00 0.00 C ATOM 1259 CG LEU A 78 2.357 6.819 -0.113 1.00 0.00 C ATOM 1260 CD1 LEU A 78 3.068 5.902 -1.096 1.00 0.00 C ATOM 1261 CD2 LEU A 78 1.244 6.068 0.603 1.00 0.00 C ATOM 0 H LEU A 78 0.779 7.992 2.340 1.00 0.00 H new ATOM 0 HA LEU A 78 3.572 8.749 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.169 7.867 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.786 6.576 1.465 1.00 0.00 H new ATOM 0 HG LEU A 78 1.911 7.645 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.345 5.498 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.829 6.466 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.540 5.083 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.546 5.665 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.672 5.251 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.715 6.750 1.269 1.00 0.00 H new ATOM 1273 N GLY A 79 3.069 10.695 1.086 1.00 0.00 N ATOM 1274 CA GLY A 79 2.681 11.908 0.394 1.00 0.00 C ATOM 1275 C GLY A 79 1.511 12.607 1.058 1.00 0.00 C ATOM 1276 O GLY A 79 1.682 13.298 2.063 1.00 0.00 O ATOM 0 H GLY A 79 3.988 10.730 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.532 12.588 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.419 11.667 -0.636 1.00 0.00 H new ATOM 1280 N GLN A 80 0.320 12.424 0.499 1.00 0.00 N ATOM 1281 CA GLN A 80 -0.883 13.041 1.044 1.00 0.00 C ATOM 1282 C GLN A 80 -2.071 12.086 0.966 1.00 0.00 C ATOM 1283 O GLN A 80 -3.224 12.516 0.955 1.00 0.00 O ATOM 1284 CB GLN A 80 -1.207 14.339 0.299 1.00 0.00 C ATOM 1285 CG GLN A 80 -1.486 14.146 -1.185 1.00 0.00 C ATOM 1286 CD GLN A 80 -0.277 13.642 -1.950 1.00 0.00 C ATOM 1287 OE1 GLN A 80 0.767 14.294 -1.982 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -0.412 12.476 -2.569 1.00 0.00 N ATOM 0 H GLN A 80 0.162 11.853 -0.331 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.694 13.273 2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.075 14.806 0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.373 15.031 0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -2.307 13.440 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.813 15.093 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.296 11.970 -2.516 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.368 12.086 -3.098 1.00 0.00 H new ATOM 1297 N VAL A 81 -1.784 10.788 0.911 1.00 0.00 N ATOM 1298 CA VAL A 81 -2.831 9.778 0.832 1.00 0.00 C ATOM 1299 C VAL A 81 -2.383 8.470 1.477 1.00 0.00 C ATOM 1300 O VAL A 81 -1.196 8.142 1.479 1.00 0.00 O ATOM 1301 CB VAL A 81 -3.232 9.508 -0.631 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -4.347 8.476 -0.707 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -3.645 10.800 -1.318 1.00 0.00 C ATOM 0 H VAL A 81 -0.836 10.413 0.920 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.693 10.167 1.374 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.364 9.104 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.612 8.303 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.009 7.542 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.220 8.843 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.925 10.590 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.495 11.236 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.811 11.502 -1.304 1.00 0.00 H new ATOM 1313 N ALA A 82 -3.340 7.725 2.020 1.00 0.00 N ATOM 1314 CA ALA A 82 -3.043 6.451 2.664 1.00 0.00 C ATOM 1315 C ALA A 82 -3.299 5.287 1.716 1.00 0.00 C ATOM 1316 O ALA A 82 -4.362 5.199 1.098 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.869 6.288 3.933 1.00 0.00 C ATOM 0 H ALA A 82 -4.327 7.981 2.027 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.986 6.448 2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.634 5.331 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.636 7.097 4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.930 6.319 3.683 1.00 0.00 H new ATOM 1323 N ILE A 83 -2.323 4.393 1.608 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.448 3.230 0.741 1.00 0.00 C ATOM 1325 C ILE A 83 -2.567 1.960 1.578 1.00 0.00 C ATOM 1326 O ILE A 83 -1.875 1.806 2.587 1.00 0.00 O ATOM 1327 CB ILE A 83 -1.255 3.123 -0.234 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -1.187 4.370 -1.116 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -1.359 1.874 -1.096 1.00 0.00 C ATOM 1330 CD1 ILE A 83 -0.030 4.360 -2.091 1.00 0.00 C ATOM 0 H ILE A 83 -1.437 4.452 2.110 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.353 3.349 0.146 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.340 3.050 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.120 4.462 -1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.107 5.251 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.505 1.826 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.366 0.991 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.280 1.909 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.045 5.275 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.909 4.299 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.119 3.498 -2.753 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.466 1.067 1.174 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.688 -0.171 1.915 1.00 0.00 C ATOM 1344 C LEU A 84 -3.639 -1.389 0.998 1.00 0.00 C ATOM 1345 O LEU A 84 -4.450 -1.525 0.083 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.047 -0.106 2.627 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.345 -1.241 3.612 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -6.705 -1.031 4.264 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.303 -2.594 2.922 1.00 0.00 C ATOM 0 H LEU A 84 -4.049 1.176 0.344 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.890 -0.276 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.108 0.840 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.831 -0.094 1.870 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.573 -1.227 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.904 -1.845 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.708 -0.083 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.478 -1.015 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.518 -3.379 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.048 -2.620 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.312 -2.755 2.497 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.705 -2.289 1.274 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.572 -3.516 0.497 1.00 0.00 C ATOM 1363 C LEU A 85 -3.008 -4.701 1.350 1.00 0.00 C ATOM 1364 O LEU A 85 -2.446 -4.942 2.418 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.129 -3.703 0.025 1.00 0.00 C ATOM 1366 CG LEU A 85 -0.879 -4.962 -0.807 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -1.741 -4.955 -2.060 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.595 -5.075 -1.173 1.00 0.00 C ATOM 0 H LEU A 85 -2.027 -2.193 2.030 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.209 -3.450 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.840 -2.833 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.477 -3.727 0.898 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.153 -5.830 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.549 -5.858 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.793 -4.922 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.499 -4.080 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.755 -5.976 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.894 -4.202 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.193 -5.128 -0.263 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.030 -5.423 0.900 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.535 -6.555 1.669 1.00 0.00 C ATOM 1382 C PHE A 86 -4.830 -7.768 0.794 1.00 0.00 C ATOM 1383 O PHE A 86 -4.784 -7.700 -0.436 1.00 0.00 O ATOM 1384 CB PHE A 86 -5.803 -6.143 2.425 1.00 0.00 C ATOM 1385 CG PHE A 86 -7.010 -5.948 1.543 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -7.649 -7.037 0.972 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.500 -4.680 1.285 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -8.754 -6.861 0.160 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -8.605 -4.499 0.476 1.00 0.00 C ATOM 1390 CZ PHE A 86 -9.233 -5.591 -0.088 1.00 0.00 C ATOM 0 H PHE A 86 -4.518 -5.249 0.021 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.754 -6.843 2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.031 -6.904 3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.607 -5.216 2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.280 -8.034 1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.012 -3.821 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -9.242 -7.718 -0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.977 -3.503 0.285 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.097 -5.452 -0.721 1.00 0.00 H new ATOM 1400 N LYS A 87 -5.156 -8.876 1.455 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.489 -10.121 0.777 1.00 0.00 C ATOM 1402 C LYS A 87 -6.732 -10.730 1.415 1.00 0.00 C ATOM 1403 O LYS A 87 -6.634 -11.589 2.290 1.00 0.00 O ATOM 1404 CB LYS A 87 -4.322 -11.108 0.858 1.00 0.00 C ATOM 1405 CG LYS A 87 -4.460 -12.323 -0.055 1.00 0.00 C ATOM 1406 CD LYS A 87 -5.646 -13.202 0.323 1.00 0.00 C ATOM 1407 CE LYS A 87 -5.647 -14.500 -0.470 1.00 0.00 C ATOM 1408 NZ LYS A 87 -4.410 -15.295 -0.236 1.00 0.00 N ATOM 0 H LYS A 87 -5.196 -8.934 2.473 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.686 -9.909 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.400 -10.583 0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.223 -11.452 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.573 -11.988 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.545 -12.913 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.611 -13.425 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.575 -12.661 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.518 -15.094 -0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.739 -14.276 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.584 -16.290 -0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.640 -14.920 -0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.141 -15.231 0.767 1.00 0.00 H new ATOM 1422 N SER A 88 -7.900 -10.281 0.973 1.00 0.00 N ATOM 1423 CA SER A 88 -9.157 -10.787 1.507 1.00 0.00 C ATOM 1424 C SER A 88 -9.410 -12.209 1.018 1.00 0.00 C ATOM 1425 O SER A 88 -10.326 -12.455 0.232 1.00 0.00 O ATOM 1426 CB SER A 88 -10.315 -9.876 1.091 1.00 0.00 C ATOM 1427 OG SER A 88 -10.427 -9.807 -0.320 1.00 0.00 O ATOM 0 H SER A 88 -8.003 -9.570 0.249 1.00 0.00 H new ATOM 0 HA SER A 88 -9.090 -10.798 2.595 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.247 -10.250 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.159 -8.876 1.496 1.00 0.00 H new ATOM 0 HG SER A 88 -10.483 -10.713 -0.688 1.00 0.00 H new ATOM 1433 N GLY A 89 -8.591 -13.146 1.487 1.00 0.00 N ATOM 1434 CA GLY A 89 -8.745 -14.532 1.085 1.00 0.00 C ATOM 1435 C GLY A 89 -7.933 -15.479 1.948 1.00 0.00 C ATOM 1436 O GLY A 89 -7.724 -15.167 3.138 1.00 0.00 O ATOM 1437 OXT GLY A 89 -7.509 -16.534 1.431 1.00 0.00 O ATOM 0 H GLY A 89 -7.825 -12.970 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.798 -14.808 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.440 -14.641 0.044 1.00 0.00 H new TER 1441 GLY A 89