USER MOD reduce.3.24.130724 H: found=0, std=0, add=1436, rem=0, adj=60 USER MOD reduce.3.24.130724 removed 1436 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: B 72 HIS : no HD1:sc= -1.1 K(o=-3.5,f=-6.7!) USER MOD Set 1.2: B 87 LYS NZ :NH3+ 177:sc= -2.42 (180deg=-2.48) USER MOD Set 2.1: B 77 TYR OH : rot -133:sc= -1.11 USER MOD Set 2.2: B 80 GLN :FLIP amide:sc= 0.375 F(o=-2.1,f=-0.73) USER MOD Set 3.1: B 64 SER OG : rot -110:sc= -2! USER MOD Set 3.2: B 75 TYR OH : rot 82:sc= 0.728 USER MOD Set 4.1: A 67 THR OG1 : rot -174:sc= 1.19 USER MOD Set 4.2: B 43 LYS NZ :NH3+ -158:sc= -0.332 (180deg=-1.74!) USER MOD Set 4.3: B 53 THR OG1 : rot 97:sc= -3.13! USER MOD Set 4.4: B 55 HIS : no HD1:sc= -18.5! C(o=-21!,f=-27!) USER MOD Set 5.1: B 49 LYS NZ :NH3+ -168:sc= 0.549 (180deg=-0.0956!) USER MOD Set 5.2: B 50 TYR OH : rot 25:sc= -2.6! USER MOD Set 6.1: B 1 MET N :NH3+ -176:sc= -0.151 (180deg=-0.155) USER MOD Set 6.2: B 2 CYS SG : rot 60:sc= 0.22 USER MOD Set 7.1: A 88 SER OG : rot -150:sc= 2 USER MOD Set 7.2: B 88 SER OG : rot 154:sc= 0.368 USER MOD Set 8.1: A 64 SER OG : rot 167:sc= -0.0549! USER MOD Set 8.2: A 75 TYR OH : rot -17:sc= 1.48 USER MOD Set 9.1: A 24 CYS SG : rot 180:sc= 0 USER MOD Set 9.2: A 27 GLN : amide:sc= -0.0625 X(o=-0.062,f=-0.51) USER MOD Set10.1: A 13 MET CE :methyl 159:sc= 0 (180deg=-0.168) USER MOD Set10.2: A 21 SER OG : rot -89:sc= -5.44! USER MOD Single : A 1 MET CE :methyl -145:sc= -0.288 (180deg=-1.89!) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0952 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0.138 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -0.363 (180deg=-0.853) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.336 F(o=-2.9!,f=-0.34) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 157:sc= -6.82! (180deg=-10!) USER MOD Single : A 18 GLN :FLIP amide:sc= -11.4! C(o=-22!,f=-11!) USER MOD Single : A 19 GLN :FLIP amide:sc= -4.22! C(o=-11!,f=-4.2!) USER MOD Single : A 26 THR OG1 : rot 65:sc= 0.382 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.124) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= 0.661 F(o=-0.042,f=0.66) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -20.5! C(o=-20!,f=-27!) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= -6.47! (180deg=-7.8!) USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.201 (180deg=-0.34) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= -0.839 (180deg=-2.44!) USER MOD Single : A 50 TYR OH : rot 65:sc= -0.365 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 55 HIS : no HD1:sc= -22.9! C(o=-23!,f=-24!) USER MOD Single : A 56 CYS SG : rot -54:sc= -4.8! USER MOD Single : A 61 ASN :FLIP amide:sc= 0.432 F(o=-0.62,f=0.43) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -5.12! C(o=-5.1!,f=-10!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -3.58! C(o=-3.6!,f=-5.3!) USER MOD Single : A 77 TYR OH : rot -172:sc= -0.978 USER MOD Single : A 80 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.11) USER MOD Single : A 87 LYS NZ :NH3+ -147:sc= -5.64! (180deg=-9.13!) USER MOD Single : B 1 MET CE :methyl 158:sc= -0.0153 (180deg=-0.388) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= 0.0019 X(o=0.0019,f=0.06) USER MOD Single : B 13 MET CE :methyl 155:sc= -0.53 (180deg=-1.15) USER MOD Single : B 14 SER OG : rot 180:sc= 0.0853 USER MOD Single : B 17 MET CE :methyl 150:sc= -12.3! (180deg=-15.8!) USER MOD Single : B 18 GLN :FLIP amide:sc= -16.9! C(o=-18!,f=-17!) USER MOD Single : B 19 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.021) USER MOD Single : B 21 SER OG : rot -79:sc= -4.75! USER MOD Single : B 24 CYS SG : rot 80:sc= 0.0479 USER MOD Single : B 26 THR OG1 : rot 67:sc= 1.06 USER MOD Single : B 27 GLN : amide:sc= 0.0223 X(o=0.022,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -0.0981 X(o=-0.098,f=-0.1) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 HIS : no HE2:sc= -18.9! C(o=-19!,f=-23!) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -0.736 K(o=-0.74,f=-3.6!) USER MOD Single : B 56 CYS SG : rot 180:sc= 0.0095 USER MOD Single : B 61 ASN :FLIP amide:sc= -0.74! C(o=-1.9!,f=-0.74!) USER MOD Single : B 65 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -9.81! C(o=-9.8!,f=-14!) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.603 -2.171 3.683 1.00 0.00 N ATOM 2 CA MET A 1 -22.955 -1.926 5.106 1.00 0.00 C ATOM 3 C MET A 1 -22.633 -0.493 5.516 1.00 0.00 C ATOM 4 O MET A 1 -21.967 0.239 4.784 1.00 0.00 O ATOM 5 CB MET A 1 -22.173 -2.910 5.977 1.00 0.00 C ATOM 6 CG MET A 1 -22.688 -3.001 7.404 1.00 0.00 C ATOM 7 SD MET A 1 -23.988 -4.234 7.594 1.00 0.00 S ATOM 8 CE MET A 1 -25.441 -3.246 7.252 1.00 0.00 C ATOM 0 H1 MET A 1 -23.462 -2.416 3.150 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.177 -1.313 3.278 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.923 -2.956 3.624 1.00 0.00 H new ATOM 0 HA MET A 1 -24.027 -2.073 5.239 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.215 -3.899 5.521 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.125 -2.612 5.996 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.861 -3.245 8.070 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.068 -2.027 7.712 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.267 -3.586 7.876 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.229 -2.199 7.470 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.713 -3.350 6.202 1.00 0.00 H new ATOM 20 N CYS A 2 -23.111 -0.098 6.692 1.00 0.00 N ATOM 21 CA CYS A 2 -22.872 1.247 7.199 1.00 0.00 C ATOM 22 C CYS A 2 -22.795 2.255 6.060 1.00 0.00 C ATOM 23 O CYS A 2 -23.465 2.105 5.037 1.00 0.00 O ATOM 24 CB CYS A 2 -21.577 1.284 8.013 1.00 0.00 C ATOM 25 SG CYS A 2 -21.627 2.400 9.434 1.00 0.00 S ATOM 0 H CYS A 2 -23.665 -0.690 7.310 1.00 0.00 H new ATOM 0 HA CYS A 2 -23.709 1.518 7.843 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -21.353 0.277 8.364 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -20.758 1.583 7.359 1.00 0.00 H new ATOM 0 HG CYS A 2 -20.488 2.359 10.058 1.00 0.00 H new ATOM 31 N ASP A 3 -21.973 3.282 6.243 1.00 0.00 N ATOM 32 CA ASP A 3 -21.803 4.318 5.233 1.00 0.00 C ATOM 33 C ASP A 3 -20.539 5.130 5.497 1.00 0.00 C ATOM 34 O ASP A 3 -19.612 4.656 6.153 1.00 0.00 O ATOM 35 CB ASP A 3 -23.023 5.241 5.209 1.00 0.00 C ATOM 36 CG ASP A 3 -23.088 6.146 6.424 1.00 0.00 C ATOM 37 OD1 ASP A 3 -22.364 7.165 6.445 1.00 0.00 O ATOM 38 OD2 ASP A 3 -23.862 5.838 7.354 1.00 0.00 O ATOM 0 H ASP A 3 -21.413 3.419 7.084 1.00 0.00 H new ATOM 0 HA ASP A 3 -21.705 3.833 4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -22.996 5.851 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -23.930 4.638 5.159 1.00 0.00 H new ATOM 43 N ARG A 4 -20.508 6.353 4.980 1.00 0.00 N ATOM 44 CA ARG A 4 -19.355 7.228 5.160 1.00 0.00 C ATOM 45 C ARG A 4 -19.014 7.386 6.640 1.00 0.00 C ATOM 46 O ARG A 4 -19.437 8.344 7.284 1.00 0.00 O ATOM 47 CB ARG A 4 -19.625 8.600 4.535 1.00 0.00 C ATOM 48 CG ARG A 4 -21.104 8.901 4.348 1.00 0.00 C ATOM 49 CD ARG A 4 -21.415 9.300 2.913 1.00 0.00 C ATOM 50 NE ARG A 4 -22.845 9.514 2.703 1.00 0.00 N ATOM 51 CZ ARG A 4 -23.399 9.671 1.506 1.00 0.00 C ATOM 52 NH1 ARG A 4 -22.647 9.636 0.414 1.00 0.00 N ATOM 53 NH2 ARG A 4 -24.708 9.859 1.398 1.00 0.00 N ATOM 0 H ARG A 4 -21.267 6.761 4.434 1.00 0.00 H new ATOM 0 HA ARG A 4 -18.503 6.770 4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -19.182 9.371 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -19.126 8.654 3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -21.692 8.024 4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -21.401 9.704 5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -20.871 10.211 2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -21.061 8.523 2.236 1.00 0.00 H new ATOM 0 HE ARG A 4 -23.452 9.545 3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -21.641 9.488 0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -23.075 9.757 -0.504 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -25.291 9.883 2.235 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -25.132 9.979 0.478 1.00 0.00 H new ATOM 67 N LYS A 5 -18.245 6.440 7.171 1.00 0.00 N ATOM 68 CA LYS A 5 -17.846 6.476 8.573 1.00 0.00 C ATOM 69 C LYS A 5 -16.336 6.637 8.703 1.00 0.00 C ATOM 70 O LYS A 5 -15.678 5.877 9.415 1.00 0.00 O ATOM 71 CB LYS A 5 -18.297 5.204 9.293 1.00 0.00 C ATOM 72 CG LYS A 5 -18.121 5.267 10.800 1.00 0.00 C ATOM 73 CD LYS A 5 -19.015 6.326 11.422 1.00 0.00 C ATOM 74 CE LYS A 5 -18.270 7.635 11.620 1.00 0.00 C ATOM 75 NZ LYS A 5 -19.159 8.710 12.137 1.00 0.00 N ATOM 0 H LYS A 5 -17.886 5.639 6.651 1.00 0.00 H new ATOM 0 HA LYS A 5 -18.329 7.335 9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -19.347 5.020 9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -17.733 4.356 8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -18.351 4.294 11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.079 5.484 11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -19.883 6.493 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.389 5.970 12.382 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.445 7.481 12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.833 7.950 10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.611 9.586 12.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.932 8.876 11.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.556 8.421 13.054 1.00 0.00 H new ATOM 89 N ALA A 6 -15.792 7.630 8.009 1.00 0.00 N ATOM 90 CA ALA A 6 -14.360 7.893 8.042 1.00 0.00 C ATOM 91 C ALA A 6 -14.071 9.355 8.363 1.00 0.00 C ATOM 92 O ALA A 6 -14.983 10.178 8.443 1.00 0.00 O ATOM 93 CB ALA A 6 -13.726 7.516 6.714 1.00 0.00 C ATOM 0 H ALA A 6 -16.323 8.267 7.416 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.926 7.282 8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.655 7.717 6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.889 6.456 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.178 8.104 5.915 1.00 0.00 H new ATOM 99 N VAL A 7 -12.793 9.668 8.540 1.00 0.00 N ATOM 100 CA VAL A 7 -12.373 11.029 8.847 1.00 0.00 C ATOM 101 C VAL A 7 -11.354 11.523 7.825 1.00 0.00 C ATOM 102 O VAL A 7 -10.169 11.658 8.128 1.00 0.00 O ATOM 103 CB VAL A 7 -11.762 11.126 10.257 1.00 0.00 C ATOM 104 CG1 VAL A 7 -11.398 12.565 10.581 1.00 0.00 C ATOM 105 CG2 VAL A 7 -12.723 10.565 11.296 1.00 0.00 C ATOM 0 H VAL A 7 -12.028 8.996 8.476 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.263 11.656 8.807 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.850 10.530 10.280 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.968 12.615 11.581 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.671 12.929 9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.294 13.185 10.540 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.274 10.642 12.286 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.654 11.132 11.275 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.931 9.519 11.072 1.00 0.00 H new ATOM 115 N ILE A 8 -11.826 11.784 6.610 1.00 0.00 N ATOM 116 CA ILE A 8 -10.960 12.257 5.538 1.00 0.00 C ATOM 117 C ILE A 8 -9.961 13.296 6.055 1.00 0.00 C ATOM 118 O ILE A 8 -10.145 13.874 7.126 1.00 0.00 O ATOM 119 CB ILE A 8 -11.801 12.828 4.356 1.00 0.00 C ATOM 120 CG1 ILE A 8 -11.819 11.828 3.197 1.00 0.00 C ATOM 121 CG2 ILE A 8 -11.286 14.182 3.871 1.00 0.00 C ATOM 122 CD1 ILE A 8 -13.074 10.983 3.143 1.00 0.00 C ATOM 0 H ILE A 8 -12.805 11.675 6.344 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.391 11.405 5.165 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.814 12.984 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.717 12.372 2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.953 11.172 3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.907 14.534 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.327 14.901 4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.256 14.079 3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.016 10.298 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.168 10.411 4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.944 11.630 3.027 1.00 0.00 H new ATOM 134 N LYS A 9 -8.907 13.521 5.278 1.00 0.00 N ATOM 135 CA LYS A 9 -7.872 14.485 5.636 1.00 0.00 C ATOM 136 C LYS A 9 -7.160 14.992 4.385 1.00 0.00 C ATOM 137 O LYS A 9 -6.395 15.957 4.440 1.00 0.00 O ATOM 138 CB LYS A 9 -6.857 13.851 6.590 1.00 0.00 C ATOM 139 CG LYS A 9 -7.493 13.100 7.748 1.00 0.00 C ATOM 140 CD LYS A 9 -7.401 13.890 9.043 1.00 0.00 C ATOM 141 CE LYS A 9 -8.768 14.077 9.682 1.00 0.00 C ATOM 142 NZ LYS A 9 -8.712 13.932 11.162 1.00 0.00 N ATOM 0 H LYS A 9 -8.746 13.045 4.390 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.349 15.327 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.223 13.165 6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.208 14.632 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.539 12.895 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.999 12.136 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.741 13.373 9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.955 14.865 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.156 15.064 9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.464 13.346 9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.586 14.309 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.616 12.926 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.895 14.459 11.532 1.00 0.00 H new ATOM 156 N ASN A 10 -7.416 14.330 3.260 1.00 0.00 N ATOM 157 CA ASN A 10 -6.802 14.704 1.990 1.00 0.00 C ATOM 158 C ASN A 10 -7.343 13.838 0.856 1.00 0.00 C ATOM 159 O ASN A 10 -6.855 12.734 0.617 1.00 0.00 O ATOM 160 CB ASN A 10 -5.281 14.562 2.072 1.00 0.00 C ATOM 161 CG ASN A 10 -4.555 15.638 1.287 1.00 0.00 C ATOM 162 OD1 ASN A 10 -5.314 16.494 0.613 1.00 0.00 O flip ATOM 163 ND2 ASN A 10 -3.325 15.699 1.288 1.00 0.00 N flip ATOM 0 H ASN A 10 -8.046 13.530 3.202 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.051 15.745 1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.971 14.606 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.990 13.582 1.694 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.781 15.020 1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.850 16.429 0.756 1.00 0.00 H new ATOM 170 N ALA A 11 -8.360 14.342 0.164 1.00 0.00 N ATOM 171 CA ALA A 11 -8.968 13.607 -0.937 1.00 0.00 C ATOM 172 C ALA A 11 -8.831 14.357 -2.257 1.00 0.00 C ATOM 173 O ALA A 11 -9.741 15.077 -2.669 1.00 0.00 O ATOM 174 CB ALA A 11 -10.434 13.334 -0.640 1.00 0.00 C ATOM 0 H ALA A 11 -8.779 15.254 0.346 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.438 12.660 -1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.877 12.784 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.517 12.743 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.961 14.279 -0.508 1.00 0.00 H new ATOM 180 N ASP A 12 -7.696 14.178 -2.924 1.00 0.00 N ATOM 181 CA ASP A 12 -7.456 14.833 -4.205 1.00 0.00 C ATOM 182 C ASP A 12 -8.280 14.171 -5.303 1.00 0.00 C ATOM 183 O ASP A 12 -7.843 14.068 -6.449 1.00 0.00 O ATOM 184 CB ASP A 12 -5.970 14.785 -4.561 1.00 0.00 C ATOM 185 CG ASP A 12 -5.257 16.083 -4.237 1.00 0.00 C ATOM 186 OD1 ASP A 12 -5.356 17.033 -5.043 1.00 0.00 O ATOM 187 OD2 ASP A 12 -4.601 16.151 -3.177 1.00 0.00 O ATOM 0 H ASP A 12 -6.930 13.587 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.760 15.876 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.495 13.967 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.860 14.569 -5.624 1.00 0.00 H new ATOM 192 N MET A 13 -9.473 13.719 -4.936 1.00 0.00 N ATOM 193 CA MET A 13 -10.370 13.059 -5.876 1.00 0.00 C ATOM 194 C MET A 13 -11.753 13.705 -5.856 1.00 0.00 C ATOM 195 O MET A 13 -12.053 14.532 -4.995 1.00 0.00 O ATOM 196 CB MET A 13 -10.484 11.571 -5.532 1.00 0.00 C ATOM 197 CG MET A 13 -11.693 10.889 -6.152 1.00 0.00 C ATOM 198 SD MET A 13 -11.408 9.141 -6.489 1.00 0.00 S ATOM 199 CE MET A 13 -11.377 8.475 -4.827 1.00 0.00 C ATOM 0 H MET A 13 -9.843 13.798 -3.989 1.00 0.00 H new ATOM 0 HA MET A 13 -9.956 13.167 -6.878 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.580 11.060 -5.865 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.532 11.461 -4.449 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.546 10.991 -5.482 1.00 0.00 H new ATOM 0 HG3 MET A 13 -11.955 11.396 -7.081 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.583 7.405 -4.860 1.00 0.00 H new ATOM 0 HE2 MET A 13 -10.394 8.642 -4.386 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.135 8.972 -4.222 1.00 0.00 H new ATOM 209 N SER A 14 -12.592 13.316 -6.811 1.00 0.00 N ATOM 210 CA SER A 14 -13.947 13.847 -6.906 1.00 0.00 C ATOM 211 C SER A 14 -14.755 13.500 -5.658 1.00 0.00 C ATOM 212 O SER A 14 -14.811 12.340 -5.246 1.00 0.00 O ATOM 213 CB SER A 14 -14.647 13.293 -8.149 1.00 0.00 C ATOM 214 OG SER A 14 -15.449 14.284 -8.770 1.00 0.00 O ATOM 0 H SER A 14 -12.356 12.633 -7.531 1.00 0.00 H new ATOM 0 HA SER A 14 -13.881 14.932 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.903 12.928 -8.857 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.267 12.441 -7.871 1.00 0.00 H new ATOM 0 HG SER A 14 -15.883 13.904 -9.562 1.00 0.00 H new ATOM 220 N GLU A 15 -15.376 14.511 -5.062 1.00 0.00 N ATOM 221 CA GLU A 15 -16.179 14.316 -3.859 1.00 0.00 C ATOM 222 C GLU A 15 -16.879 12.960 -3.878 1.00 0.00 C ATOM 223 O GLU A 15 -16.439 12.014 -3.224 1.00 0.00 O ATOM 224 CB GLU A 15 -17.215 15.433 -3.728 1.00 0.00 C ATOM 225 CG GLU A 15 -16.695 16.799 -4.143 1.00 0.00 C ATOM 226 CD GLU A 15 -16.554 17.749 -2.970 1.00 0.00 C ATOM 227 OE1 GLU A 15 -15.715 17.480 -2.086 1.00 0.00 O ATOM 228 OE2 GLU A 15 -17.283 18.763 -2.938 1.00 0.00 O ATOM 0 H GLU A 15 -15.339 15.475 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.509 14.344 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.084 15.184 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -17.555 15.482 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.727 16.683 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.372 17.233 -4.879 1.00 0.00 H new ATOM 235 N GLU A 16 -17.972 12.874 -4.629 1.00 0.00 N ATOM 236 CA GLU A 16 -18.734 11.635 -4.731 1.00 0.00 C ATOM 237 C GLU A 16 -17.808 10.423 -4.738 1.00 0.00 C ATOM 238 O GLU A 16 -18.143 9.370 -4.198 1.00 0.00 O ATOM 239 CB GLU A 16 -19.592 11.643 -5.998 1.00 0.00 C ATOM 240 CG GLU A 16 -18.966 12.412 -7.150 1.00 0.00 C ATOM 241 CD GLU A 16 -18.471 11.500 -8.256 1.00 0.00 C ATOM 242 OE1 GLU A 16 -17.655 10.601 -7.965 1.00 0.00 O ATOM 243 OE2 GLU A 16 -18.898 11.687 -9.415 1.00 0.00 O ATOM 0 H GLU A 16 -18.350 13.648 -5.176 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.384 11.566 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.771 10.615 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.564 12.079 -5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.698 13.108 -7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.134 13.008 -6.775 1.00 0.00 H new ATOM 250 N MET A 17 -16.643 10.581 -5.358 1.00 0.00 N ATOM 251 CA MET A 17 -15.666 9.500 -5.441 1.00 0.00 C ATOM 252 C MET A 17 -15.028 9.228 -4.081 1.00 0.00 C ATOM 253 O MET A 17 -14.824 8.074 -3.700 1.00 0.00 O ATOM 254 CB MET A 17 -14.583 9.842 -6.466 1.00 0.00 C ATOM 255 CG MET A 17 -14.990 9.556 -7.903 1.00 0.00 C ATOM 256 SD MET A 17 -13.960 8.297 -8.679 1.00 0.00 S ATOM 257 CE MET A 17 -14.162 6.938 -7.529 1.00 0.00 C ATOM 0 H MET A 17 -16.352 11.447 -5.811 1.00 0.00 H new ATOM 0 HA MET A 17 -16.189 8.598 -5.760 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.328 10.898 -6.373 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.682 9.274 -6.233 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.031 9.232 -7.924 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.931 10.477 -8.483 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.949 5.997 -8.036 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.474 7.063 -6.693 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.186 6.925 -7.157 1.00 0.00 H new ATOM 267 N GLN A 18 -14.709 10.295 -3.356 1.00 0.00 N ATOM 268 CA GLN A 18 -14.088 10.171 -2.039 1.00 0.00 C ATOM 269 C GLN A 18 -15.051 9.545 -1.037 1.00 0.00 C ATOM 270 O GLN A 18 -14.642 8.783 -0.160 1.00 0.00 O ATOM 271 CB GLN A 18 -13.625 11.538 -1.530 1.00 0.00 C ATOM 272 CG GLN A 18 -13.891 12.679 -2.499 1.00 0.00 C ATOM 273 CD GLN A 18 -12.672 13.550 -2.719 1.00 0.00 C ATOM 274 OE1 GLN A 18 -11.624 12.967 -3.288 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -12.671 14.734 -2.384 1.00 0.00 N flip ATOM 0 H GLN A 18 -14.870 11.256 -3.657 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.221 9.519 -2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.126 11.752 -0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.556 11.494 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.219 12.270 -3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.708 13.292 -2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.499 15.142 -1.949 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.842 15.308 -2.541 1.00 0.00 H new ATOM 284 N GLN A 19 -16.332 9.864 -1.174 1.00 0.00 N ATOM 285 CA GLN A 19 -17.347 9.323 -0.282 1.00 0.00 C ATOM 286 C GLN A 19 -17.603 7.866 -0.618 1.00 0.00 C ATOM 287 O GLN A 19 -17.800 7.033 0.268 1.00 0.00 O ATOM 288 CB GLN A 19 -18.644 10.124 -0.395 1.00 0.00 C ATOM 289 CG GLN A 19 -18.605 11.454 0.337 1.00 0.00 C ATOM 290 CD GLN A 19 -18.436 11.289 1.835 1.00 0.00 C ATOM 291 OE1 GLN A 19 -18.581 10.059 2.314 1.00 0.00 O flip ATOM 292 NE2 GLN A 19 -18.176 12.255 2.552 1.00 0.00 N flip ATOM 0 H GLN A 19 -16.691 10.493 -1.892 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.986 9.396 0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -18.858 10.305 -1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -19.466 9.526 -0.001 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.784 12.056 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -19.526 12.002 0.137 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.073 13.183 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.063 12.128 3.558 1.00 0.00 H new ATOM 301 N ASP A 20 -17.582 7.562 -1.910 1.00 0.00 N ATOM 302 CA ASP A 20 -17.798 6.203 -2.370 1.00 0.00 C ATOM 303 C ASP A 20 -16.566 5.356 -2.089 1.00 0.00 C ATOM 304 O ASP A 20 -16.665 4.154 -1.839 1.00 0.00 O ATOM 305 CB ASP A 20 -18.124 6.185 -3.864 1.00 0.00 C ATOM 306 CG ASP A 20 -19.613 6.273 -4.131 1.00 0.00 C ATOM 307 OD1 ASP A 20 -20.154 7.398 -4.117 1.00 0.00 O ATOM 308 OD2 ASP A 20 -20.239 5.215 -4.355 1.00 0.00 O ATOM 0 H ASP A 20 -17.417 8.240 -2.654 1.00 0.00 H new ATOM 0 HA ASP A 20 -18.647 5.784 -1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.620 7.018 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.731 5.270 -4.308 1.00 0.00 H new ATOM 313 N SER A 21 -15.401 5.998 -2.119 1.00 0.00 N ATOM 314 CA SER A 21 -14.145 5.314 -1.854 1.00 0.00 C ATOM 315 C SER A 21 -14.078 4.882 -0.396 1.00 0.00 C ATOM 316 O SER A 21 -13.629 3.780 -0.083 1.00 0.00 O ATOM 317 CB SER A 21 -12.961 6.223 -2.187 1.00 0.00 C ATOM 318 OG SER A 21 -13.294 7.587 -1.997 1.00 0.00 O ATOM 0 H SER A 21 -15.304 6.992 -2.325 1.00 0.00 H new ATOM 0 HA SER A 21 -14.094 4.428 -2.487 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.110 5.962 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.654 6.061 -3.220 1.00 0.00 H new ATOM 0 HG SER A 21 -13.665 7.952 -2.827 1.00 0.00 H new ATOM 324 N VAL A 22 -14.539 5.757 0.492 1.00 0.00 N ATOM 325 CA VAL A 22 -14.541 5.465 1.918 1.00 0.00 C ATOM 326 C VAL A 22 -15.488 4.313 2.223 1.00 0.00 C ATOM 327 O VAL A 22 -15.110 3.342 2.880 1.00 0.00 O ATOM 328 CB VAL A 22 -14.954 6.695 2.746 1.00 0.00 C ATOM 329 CG1 VAL A 22 -14.952 6.366 4.229 1.00 0.00 C ATOM 330 CG2 VAL A 22 -14.032 7.868 2.450 1.00 0.00 C ATOM 0 H VAL A 22 -14.915 6.673 0.248 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.524 5.187 2.194 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.968 6.978 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.247 7.248 4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.656 5.557 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.952 6.057 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.338 8.730 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.007 7.598 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.090 8.118 1.391 1.00 0.00 H new ATOM 340 N GLU A 23 -16.719 4.418 1.731 1.00 0.00 N ATOM 341 CA GLU A 23 -17.711 3.374 1.942 1.00 0.00 C ATOM 342 C GLU A 23 -17.156 2.028 1.492 1.00 0.00 C ATOM 343 O GLU A 23 -17.381 1.004 2.136 1.00 0.00 O ATOM 344 CB GLU A 23 -18.999 3.696 1.182 1.00 0.00 C ATOM 345 CG GLU A 23 -19.624 5.023 1.581 1.00 0.00 C ATOM 346 CD GLU A 23 -21.124 5.052 1.361 1.00 0.00 C ATOM 347 OE1 GLU A 23 -21.803 4.086 1.767 1.00 0.00 O ATOM 348 OE2 GLU A 23 -21.620 6.043 0.784 1.00 0.00 O ATOM 0 H GLU A 23 -17.051 5.213 1.185 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.942 3.323 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.787 3.711 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.721 2.898 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.411 5.219 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.161 5.825 1.007 1.00 0.00 H new ATOM 355 N CYS A 24 -16.415 2.045 0.387 1.00 0.00 N ATOM 356 CA CYS A 24 -15.808 0.832 -0.143 1.00 0.00 C ATOM 357 C CYS A 24 -14.692 0.366 0.784 1.00 0.00 C ATOM 358 O CYS A 24 -14.516 -0.833 1.015 1.00 0.00 O ATOM 359 CB CYS A 24 -15.259 1.076 -1.550 1.00 0.00 C ATOM 360 SG CYS A 24 -16.277 0.374 -2.869 1.00 0.00 S ATOM 0 H CYS A 24 -16.222 2.886 -0.157 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.571 0.056 -0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -15.164 2.150 -1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -14.256 0.654 -1.616 1.00 0.00 H new ATOM 0 HG CYS A 24 -15.734 0.633 -4.021 1.00 0.00 H new ATOM 366 N ALA A 25 -13.963 1.329 1.345 1.00 0.00 N ATOM 367 CA ALA A 25 -12.895 1.021 2.280 1.00 0.00 C ATOM 368 C ALA A 25 -13.521 0.464 3.541 1.00 0.00 C ATOM 369 O ALA A 25 -12.911 -0.302 4.287 1.00 0.00 O ATOM 370 CB ALA A 25 -12.073 2.267 2.584 1.00 0.00 C ATOM 0 H ALA A 25 -14.096 2.324 1.166 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.218 0.285 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.278 2.016 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.635 2.648 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.717 3.030 3.022 1.00 0.00 H new ATOM 376 N THR A 26 -14.772 0.853 3.740 1.00 0.00 N ATOM 377 CA THR A 26 -15.556 0.407 4.873 1.00 0.00 C ATOM 378 C THR A 26 -15.999 -1.032 4.658 1.00 0.00 C ATOM 379 O THR A 26 -15.894 -1.869 5.555 1.00 0.00 O ATOM 380 CB THR A 26 -16.774 1.312 5.042 1.00 0.00 C ATOM 381 OG1 THR A 26 -16.421 2.672 4.857 1.00 0.00 O ATOM 382 CG2 THR A 26 -17.423 1.188 6.397 1.00 0.00 C ATOM 0 H THR A 26 -15.269 1.489 3.116 1.00 0.00 H new ATOM 0 HA THR A 26 -14.948 0.457 5.776 1.00 0.00 H new ATOM 0 HB THR A 26 -17.485 0.984 4.284 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.136 2.813 3.930 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.282 1.857 6.452 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.753 0.160 6.550 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.704 1.457 7.171 1.00 0.00 H new ATOM 390 N GLN A 27 -16.481 -1.316 3.450 1.00 0.00 N ATOM 391 CA GLN A 27 -16.924 -2.658 3.103 1.00 0.00 C ATOM 392 C GLN A 27 -15.834 -3.664 3.437 1.00 0.00 C ATOM 393 O GLN A 27 -16.087 -4.690 4.067 1.00 0.00 O ATOM 394 CB GLN A 27 -17.281 -2.736 1.617 1.00 0.00 C ATOM 395 CG GLN A 27 -18.605 -2.070 1.277 1.00 0.00 C ATOM 396 CD GLN A 27 -18.724 -1.724 -0.195 1.00 0.00 C ATOM 397 OE1 GLN A 27 -18.067 -2.328 -1.043 1.00 0.00 O ATOM 398 NE2 GLN A 27 -19.566 -0.745 -0.505 1.00 0.00 N ATOM 0 H GLN A 27 -16.573 -0.633 2.698 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.816 -2.895 3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.487 -2.267 1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.321 -3.783 1.315 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -19.423 -2.733 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -18.713 -1.162 1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -20.091 -0.271 0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.688 -0.467 -1.479 1.00 0.00 H new ATOM 407 N ALA A 28 -14.612 -3.347 3.026 1.00 0.00 N ATOM 408 CA ALA A 28 -13.470 -4.210 3.296 1.00 0.00 C ATOM 409 C ALA A 28 -13.063 -4.101 4.759 1.00 0.00 C ATOM 410 O ALA A 28 -12.485 -5.024 5.330 1.00 0.00 O ATOM 411 CB ALA A 28 -12.302 -3.839 2.396 1.00 0.00 C ATOM 0 H ALA A 28 -14.387 -2.499 2.505 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.756 -5.241 3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.456 -4.493 2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.596 -3.955 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.016 -2.803 2.580 1.00 0.00 H new ATOM 417 N LEU A 29 -13.369 -2.958 5.357 1.00 0.00 N ATOM 418 CA LEU A 29 -13.039 -2.715 6.753 1.00 0.00 C ATOM 419 C LEU A 29 -13.845 -3.624 7.675 1.00 0.00 C ATOM 420 O LEU A 29 -13.312 -4.188 8.630 1.00 0.00 O ATOM 421 CB LEU A 29 -13.297 -1.256 7.111 1.00 0.00 C ATOM 422 CG LEU A 29 -12.133 -0.318 6.806 1.00 0.00 C ATOM 423 CD1 LEU A 29 -12.642 1.086 6.554 1.00 0.00 C ATOM 424 CD2 LEU A 29 -11.128 -0.330 7.947 1.00 0.00 C ATOM 0 H LEU A 29 -13.846 -2.184 4.896 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.981 -2.937 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.177 -0.911 6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.532 -1.191 8.173 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.629 -0.668 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.801 1.745 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.325 1.078 5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.167 1.447 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.304 0.344 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.616 -0.002 8.865 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.743 -1.341 8.082 1.00 0.00 H new ATOM 436 N GLU A 30 -15.136 -3.759 7.383 1.00 0.00 N ATOM 437 CA GLU A 30 -16.018 -4.595 8.189 1.00 0.00 C ATOM 438 C GLU A 30 -16.126 -6.001 7.607 1.00 0.00 C ATOM 439 O GLU A 30 -16.656 -6.909 8.249 1.00 0.00 O ATOM 440 CB GLU A 30 -17.406 -3.959 8.286 1.00 0.00 C ATOM 441 CG GLU A 30 -17.605 -3.125 9.543 1.00 0.00 C ATOM 442 CD GLU A 30 -19.050 -2.723 9.755 1.00 0.00 C ATOM 443 OE1 GLU A 30 -19.891 -3.049 8.891 1.00 0.00 O ATOM 444 OE2 GLU A 30 -19.343 -2.082 10.786 1.00 0.00 O ATOM 0 H GLU A 30 -15.593 -3.300 6.595 1.00 0.00 H new ATOM 0 HA GLU A 30 -15.590 -4.672 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -17.570 -3.329 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.160 -4.746 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.259 -3.691 10.408 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.988 -2.229 9.481 1.00 0.00 H new ATOM 451 N LYS A 31 -15.617 -6.180 6.393 1.00 0.00 N ATOM 452 CA LYS A 31 -15.657 -7.481 5.735 1.00 0.00 C ATOM 453 C LYS A 31 -14.471 -8.338 6.168 1.00 0.00 C ATOM 454 O LYS A 31 -14.509 -9.565 6.077 1.00 0.00 O ATOM 455 CB LYS A 31 -15.664 -7.311 4.215 1.00 0.00 C ATOM 456 CG LYS A 31 -17.036 -7.505 3.588 1.00 0.00 C ATOM 457 CD LYS A 31 -17.328 -6.443 2.540 1.00 0.00 C ATOM 458 CE LYS A 31 -18.344 -6.930 1.521 1.00 0.00 C ATOM 459 NZ LYS A 31 -19.583 -7.442 2.170 1.00 0.00 N ATOM 0 H LYS A 31 -15.173 -5.443 5.846 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.575 -7.988 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -15.298 -6.315 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.968 -8.025 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.091 -8.493 3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.800 -7.470 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.703 -5.543 3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.404 -6.169 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.599 -6.114 0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.900 -7.719 0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.328 -7.557 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.387 -8.361 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.900 -6.766 2.894 1.00 0.00 H new ATOM 473 N TYR A 32 -13.423 -7.678 6.651 1.00 0.00 N ATOM 474 CA TYR A 32 -12.224 -8.367 7.116 1.00 0.00 C ATOM 475 C TYR A 32 -11.569 -7.589 8.249 1.00 0.00 C ATOM 476 O TYR A 32 -11.331 -8.125 9.330 1.00 0.00 O ATOM 477 CB TYR A 32 -11.224 -8.553 5.969 1.00 0.00 C ATOM 478 CG TYR A 32 -11.867 -8.631 4.602 1.00 0.00 C ATOM 479 CD1 TYR A 32 -12.498 -7.526 4.048 1.00 0.00 C ATOM 480 CD2 TYR A 32 -11.843 -9.810 3.866 1.00 0.00 C ATOM 481 CE1 TYR A 32 -13.087 -7.589 2.800 1.00 0.00 C ATOM 482 CE2 TYR A 32 -12.430 -9.881 2.616 1.00 0.00 C ATOM 483 CZ TYR A 32 -13.050 -8.769 2.088 1.00 0.00 C ATOM 484 OH TYR A 32 -13.635 -8.839 0.844 1.00 0.00 O ATOM 0 H TYR A 32 -13.380 -6.662 6.731 1.00 0.00 H new ATOM 0 HA TYR A 32 -12.521 -9.349 7.484 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.516 -7.725 5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.652 -9.464 6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.529 -6.600 4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.359 -10.684 4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.574 -6.719 2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.403 -10.804 2.056 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.518 -9.741 0.478 1.00 0.00 H new ATOM 494 N ASN A 33 -11.280 -6.317 7.990 1.00 0.00 N ATOM 495 CA ASN A 33 -10.648 -5.457 8.982 1.00 0.00 C ATOM 496 C ASN A 33 -9.146 -5.710 9.024 1.00 0.00 C ATOM 497 O ASN A 33 -8.493 -5.500 10.046 1.00 0.00 O ATOM 498 CB ASN A 33 -11.263 -5.688 10.363 1.00 0.00 C ATOM 499 CG ASN A 33 -11.354 -4.411 11.173 1.00 0.00 C ATOM 500 OD1 ASN A 33 -10.308 -4.120 11.937 1.00 0.00 O flip ATOM 501 ND2 ASN A 33 -12.353 -3.693 11.113 1.00 0.00 N flip ATOM 0 H ASN A 33 -11.474 -5.860 7.099 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.819 -4.419 8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.260 -6.114 10.248 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.665 -6.419 10.907 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.134 -3.955 10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.399 -2.836 11.664 1.00 0.00 H new ATOM 508 N ILE A 34 -8.609 -6.165 7.898 1.00 0.00 N ATOM 509 CA ILE A 34 -7.185 -6.458 7.784 1.00 0.00 C ATOM 510 C ILE A 34 -6.501 -5.470 6.845 1.00 0.00 C ATOM 511 O ILE A 34 -6.441 -5.698 5.637 1.00 0.00 O ATOM 512 CB ILE A 34 -6.954 -7.893 7.262 1.00 0.00 C ATOM 513 CG1 ILE A 34 -7.444 -8.939 8.276 1.00 0.00 C ATOM 514 CG2 ILE A 34 -5.481 -8.110 6.950 1.00 0.00 C ATOM 515 CD1 ILE A 34 -8.781 -8.623 8.913 1.00 0.00 C ATOM 0 H ILE A 34 -9.142 -6.340 7.046 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.754 -6.366 8.781 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.532 -8.016 6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.514 -9.905 7.776 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.697 -9.041 9.063 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.333 -9.126 6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.162 -7.399 6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.892 -7.961 7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.046 -9.415 9.614 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.715 -7.674 9.446 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.545 -8.552 8.139 1.00 0.00 H new ATOM 527 N GLU A 35 -5.996 -4.374 7.416 1.00 0.00 N ATOM 528 CA GLU A 35 -5.313 -3.328 6.650 1.00 0.00 C ATOM 529 C GLU A 35 -4.958 -3.800 5.244 1.00 0.00 C ATOM 530 O GLU A 35 -5.712 -3.579 4.296 1.00 0.00 O ATOM 531 CB GLU A 35 -4.048 -2.879 7.382 1.00 0.00 C ATOM 532 CG GLU A 35 -4.324 -2.012 8.598 1.00 0.00 C ATOM 533 CD GLU A 35 -3.993 -2.713 9.900 1.00 0.00 C ATOM 534 OE1 GLU A 35 -3.222 -3.694 9.867 1.00 0.00 O ATOM 535 OE2 GLU A 35 -4.505 -2.280 10.955 1.00 0.00 O ATOM 0 H GLU A 35 -6.048 -4.187 8.417 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.999 -2.486 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.487 -3.760 7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.414 -2.326 6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.741 -1.094 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.375 -1.722 8.602 1.00 0.00 H new ATOM 542 N LYS A 36 -3.809 -4.452 5.115 1.00 0.00 N ATOM 543 CA LYS A 36 -3.361 -4.957 3.824 1.00 0.00 C ATOM 544 C LYS A 36 -4.527 -5.551 3.040 1.00 0.00 C ATOM 545 O LYS A 36 -4.734 -5.222 1.872 1.00 0.00 O ATOM 546 CB LYS A 36 -2.270 -6.012 4.016 1.00 0.00 C ATOM 547 CG LYS A 36 -2.205 -6.566 5.429 1.00 0.00 C ATOM 548 CD LYS A 36 -1.998 -8.071 5.428 1.00 0.00 C ATOM 549 CE LYS A 36 -1.391 -8.548 6.736 1.00 0.00 C ATOM 550 NZ LYS A 36 -1.094 -10.007 6.712 1.00 0.00 N ATOM 0 H LYS A 36 -3.171 -4.643 5.888 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.952 -4.121 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.443 -6.833 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.304 -5.575 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.391 -6.086 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.127 -6.325 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.953 -8.571 5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.346 -8.350 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.473 -7.994 6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.077 -8.331 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.681 -10.292 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.973 -10.538 6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.420 -10.211 5.947 1.00 0.00 H new ATOM 564 N ASP A 37 -5.289 -6.426 3.692 1.00 0.00 N ATOM 565 CA ASP A 37 -6.436 -7.061 3.056 1.00 0.00 C ATOM 566 C ASP A 37 -7.422 -6.012 2.556 1.00 0.00 C ATOM 567 O ASP A 37 -7.708 -5.933 1.362 1.00 0.00 O ATOM 568 CB ASP A 37 -7.132 -8.003 4.040 1.00 0.00 C ATOM 569 CG ASP A 37 -6.869 -9.463 3.728 1.00 0.00 C ATOM 570 OD1 ASP A 37 -7.246 -9.910 2.623 1.00 0.00 O ATOM 571 OD2 ASP A 37 -6.287 -10.159 4.585 1.00 0.00 O ATOM 0 H ASP A 37 -5.132 -6.710 4.659 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.079 -7.638 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.791 -7.784 5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.206 -7.818 4.018 1.00 0.00 H new ATOM 576 N ILE A 38 -7.935 -5.205 3.479 1.00 0.00 N ATOM 577 CA ILE A 38 -8.884 -4.157 3.135 1.00 0.00 C ATOM 578 C ILE A 38 -8.433 -3.402 1.891 1.00 0.00 C ATOM 579 O ILE A 38 -9.192 -3.251 0.934 1.00 0.00 O ATOM 580 CB ILE A 38 -9.055 -3.156 4.294 1.00 0.00 C ATOM 581 CG1 ILE A 38 -9.390 -3.894 5.592 1.00 0.00 C ATOM 582 CG2 ILE A 38 -10.135 -2.138 3.962 1.00 0.00 C ATOM 583 CD1 ILE A 38 -9.313 -3.016 6.822 1.00 0.00 C ATOM 0 H ILE A 38 -7.708 -5.258 4.472 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.840 -4.642 2.939 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.114 -2.624 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.394 -4.311 5.515 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.705 -4.733 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.243 -1.439 4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.856 -1.592 3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -11.081 -2.653 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.562 -3.604 7.705 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.303 -2.620 6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.018 -2.191 6.725 1.00 0.00 H new ATOM 595 N ALA A 39 -7.188 -2.936 1.911 1.00 0.00 N ATOM 596 CA ALA A 39 -6.628 -2.201 0.784 1.00 0.00 C ATOM 597 C ALA A 39 -6.721 -3.016 -0.500 1.00 0.00 C ATOM 598 O ALA A 39 -6.999 -2.479 -1.572 1.00 0.00 O ATOM 599 CB ALA A 39 -5.181 -1.826 1.066 1.00 0.00 C ATOM 0 H ALA A 39 -6.548 -3.055 2.696 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.210 -1.289 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.775 -1.277 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.134 -1.200 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.595 -2.731 1.227 1.00 0.00 H new ATOM 605 N ALA A 40 -6.487 -4.320 -0.381 1.00 0.00 N ATOM 606 CA ALA A 40 -6.546 -5.214 -1.529 1.00 0.00 C ATOM 607 C ALA A 40 -7.934 -5.200 -2.157 1.00 0.00 C ATOM 608 O ALA A 40 -8.111 -4.743 -3.286 1.00 0.00 O ATOM 609 CB ALA A 40 -6.164 -6.628 -1.115 1.00 0.00 C ATOM 0 H ALA A 40 -6.255 -4.779 0.500 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.833 -4.862 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.212 -7.287 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.150 -6.629 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.856 -6.983 -0.351 1.00 0.00 H new ATOM 615 N HIS A 41 -8.918 -5.699 -1.416 1.00 0.00 N ATOM 616 CA HIS A 41 -10.294 -5.740 -1.896 1.00 0.00 C ATOM 617 C HIS A 41 -10.726 -4.373 -2.413 1.00 0.00 C ATOM 618 O HIS A 41 -11.257 -4.252 -3.516 1.00 0.00 O ATOM 619 CB HIS A 41 -11.237 -6.196 -0.779 1.00 0.00 C ATOM 620 CG HIS A 41 -10.532 -6.809 0.391 1.00 0.00 C ATOM 621 ND1 HIS A 41 -10.781 -6.440 1.697 1.00 0.00 N ATOM 622 CD2 HIS A 41 -9.581 -7.771 0.449 1.00 0.00 C ATOM 623 CE1 HIS A 41 -10.013 -7.149 2.506 1.00 0.00 C ATOM 624 NE2 HIS A 41 -9.277 -7.963 1.773 1.00 0.00 N ATOM 0 H HIS A 41 -8.787 -6.081 -0.479 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.345 -6.456 -2.717 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.818 -5.341 -0.434 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.944 -6.919 -1.185 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.143 -8.290 -0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -9.991 -7.075 3.583 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -8.592 -8.628 2.133 1.00 0.00 H new ATOM 633 N ILE A 42 -10.491 -3.342 -1.605 1.00 0.00 N ATOM 634 CA ILE A 42 -10.853 -1.982 -1.978 1.00 0.00 C ATOM 635 C ILE A 42 -10.334 -1.640 -3.369 1.00 0.00 C ATOM 636 O ILE A 42 -11.090 -1.197 -4.235 1.00 0.00 O ATOM 637 CB ILE A 42 -10.300 -0.956 -0.971 1.00 0.00 C ATOM 638 CG1 ILE A 42 -10.885 -1.205 0.421 1.00 0.00 C ATOM 639 CG2 ILE A 42 -10.603 0.460 -1.437 1.00 0.00 C ATOM 640 CD1 ILE A 42 -10.245 -0.366 1.507 1.00 0.00 C ATOM 0 H ILE A 42 -10.051 -3.425 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 42 -11.942 -1.932 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.218 -1.073 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.955 -1.000 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.768 -2.259 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.206 1.173 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.139 0.630 -2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.682 0.592 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.710 -0.596 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.179 -0.588 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -10.385 0.691 1.280 1.00 0.00 H new ATOM 652 N LYS A 43 -9.039 -1.848 -3.576 1.00 0.00 N ATOM 653 CA LYS A 43 -8.413 -1.562 -4.861 1.00 0.00 C ATOM 654 C LYS A 43 -9.022 -2.419 -5.967 1.00 0.00 C ATOM 655 O LYS A 43 -9.732 -1.914 -6.838 1.00 0.00 O ATOM 656 CB LYS A 43 -6.905 -1.805 -4.781 1.00 0.00 C ATOM 657 CG LYS A 43 -6.121 -0.604 -4.280 1.00 0.00 C ATOM 658 CD LYS A 43 -6.277 0.589 -5.208 1.00 0.00 C ATOM 659 CE LYS A 43 -7.512 1.404 -4.862 1.00 0.00 C ATOM 660 NZ LYS A 43 -7.278 2.865 -5.035 1.00 0.00 N ATOM 0 H LYS A 43 -8.401 -2.214 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.593 -0.514 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.716 -2.652 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.537 -2.082 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.463 -0.336 -3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.066 -0.866 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.392 1.221 -5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.345 0.243 -6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.343 1.092 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.803 1.202 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.176 3.376 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.599 3.195 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.895 3.045 -5.985 1.00 0.00 H new ATOM 674 N LYS A 44 -8.738 -3.719 -5.928 1.00 0.00 N ATOM 675 CA LYS A 44 -9.257 -4.647 -6.930 1.00 0.00 C ATOM 676 C LYS A 44 -10.615 -4.189 -7.446 1.00 0.00 C ATOM 677 O LYS A 44 -10.838 -4.106 -8.654 1.00 0.00 O ATOM 678 CB LYS A 44 -9.369 -6.056 -6.343 1.00 0.00 C ATOM 679 CG LYS A 44 -10.150 -7.021 -7.222 1.00 0.00 C ATOM 680 CD LYS A 44 -9.234 -7.765 -8.181 1.00 0.00 C ATOM 681 CE LYS A 44 -8.522 -6.810 -9.125 1.00 0.00 C ATOM 682 NZ LYS A 44 -9.396 -6.391 -10.257 1.00 0.00 N ATOM 0 H LYS A 44 -8.152 -4.153 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.559 -4.664 -7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.367 -6.454 -6.182 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.850 -5.997 -5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.682 -7.737 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.903 -6.472 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.497 -8.335 -7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.816 -8.483 -8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.197 -5.929 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.625 -7.289 -9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.806 -6.050 -11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.963 -7.202 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.029 -5.628 -9.943 1.00 0.00 H new ATOM 696 N GLU A 45 -11.518 -3.891 -6.521 1.00 0.00 N ATOM 697 CA GLU A 45 -12.857 -3.438 -6.878 1.00 0.00 C ATOM 698 C GLU A 45 -12.799 -2.103 -7.612 1.00 0.00 C ATOM 699 O GLU A 45 -13.114 -2.021 -8.799 1.00 0.00 O ATOM 700 CB GLU A 45 -13.724 -3.310 -5.625 1.00 0.00 C ATOM 701 CG GLU A 45 -14.657 -4.489 -5.409 1.00 0.00 C ATOM 702 CD GLU A 45 -15.135 -4.598 -3.974 1.00 0.00 C ATOM 703 OE1 GLU A 45 -15.847 -3.681 -3.515 1.00 0.00 O ATOM 704 OE2 GLU A 45 -14.797 -5.600 -3.310 1.00 0.00 O ATOM 0 H GLU A 45 -11.348 -3.955 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.301 -4.178 -7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.077 -3.205 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.315 -2.397 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.519 -4.391 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.144 -5.409 -5.688 1.00 0.00 H new ATOM 711 N PHE A 46 -12.390 -1.059 -6.898 1.00 0.00 N ATOM 712 CA PHE A 46 -12.286 0.274 -7.481 1.00 0.00 C ATOM 713 C PHE A 46 -11.724 0.203 -8.897 1.00 0.00 C ATOM 714 O PHE A 46 -12.164 0.927 -9.790 1.00 0.00 O ATOM 715 CB PHE A 46 -11.393 1.165 -6.615 1.00 0.00 C ATOM 716 CG PHE A 46 -12.140 2.247 -5.889 1.00 0.00 C ATOM 717 CD1 PHE A 46 -12.373 3.471 -6.492 1.00 0.00 C ATOM 718 CD2 PHE A 46 -12.606 2.038 -4.601 1.00 0.00 C ATOM 719 CE1 PHE A 46 -13.059 4.469 -5.824 1.00 0.00 C ATOM 720 CE2 PHE A 46 -13.291 3.032 -3.928 1.00 0.00 C ATOM 721 CZ PHE A 46 -13.518 4.248 -4.541 1.00 0.00 C ATOM 0 H PHE A 46 -12.125 -1.110 -5.914 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.287 0.704 -7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.873 0.544 -5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.631 1.623 -7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.015 3.649 -7.495 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.432 1.088 -4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.235 5.420 -6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -13.648 2.858 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 46 -14.054 5.026 -4.017 1.00 0.00 H new ATOM 731 N ASP A 47 -10.743 -0.673 -9.093 1.00 0.00 N ATOM 732 CA ASP A 47 -10.114 -0.840 -10.397 1.00 0.00 C ATOM 733 C ASP A 47 -11.085 -1.460 -11.398 1.00 0.00 C ATOM 734 O ASP A 47 -11.153 -1.040 -12.553 1.00 0.00 O ATOM 735 CB ASP A 47 -8.866 -1.717 -10.275 1.00 0.00 C ATOM 736 CG ASP A 47 -7.925 -1.547 -11.451 1.00 0.00 C ATOM 737 OD1 ASP A 47 -7.290 -0.477 -11.553 1.00 0.00 O ATOM 738 OD2 ASP A 47 -7.824 -2.485 -12.270 1.00 0.00 O ATOM 0 H ASP A 47 -10.367 -1.279 -8.364 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.826 0.147 -10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.340 -1.470 -9.353 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.165 -2.762 -10.201 1.00 0.00 H new ATOM 743 N LYS A 48 -11.830 -2.464 -10.949 1.00 0.00 N ATOM 744 CA LYS A 48 -12.793 -3.144 -11.808 1.00 0.00 C ATOM 745 C LYS A 48 -14.206 -2.622 -11.572 1.00 0.00 C ATOM 746 O LYS A 48 -15.179 -3.188 -12.073 1.00 0.00 O ATOM 747 CB LYS A 48 -12.747 -4.653 -11.560 1.00 0.00 C ATOM 748 CG LYS A 48 -11.807 -5.394 -12.497 1.00 0.00 C ATOM 749 CD LYS A 48 -12.567 -6.078 -13.622 1.00 0.00 C ATOM 750 CE LYS A 48 -13.397 -5.085 -14.420 1.00 0.00 C ATOM 751 NZ LYS A 48 -12.559 -4.288 -15.358 1.00 0.00 N ATOM 0 H LYS A 48 -11.786 -2.825 -9.996 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.523 -2.941 -12.844 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.438 -4.835 -10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.752 -5.062 -11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.084 -4.694 -12.917 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.241 -6.137 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.863 -6.580 -14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.218 -6.847 -13.207 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.162 -5.620 -14.982 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.916 -4.413 -13.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.162 -3.623 -15.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.845 -3.757 -14.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.084 -4.927 -16.027 1.00 0.00 H new ATOM 765 N LYS A 49 -14.316 -1.540 -10.808 1.00 0.00 N ATOM 766 CA LYS A 49 -15.613 -0.945 -10.511 1.00 0.00 C ATOM 767 C LYS A 49 -15.707 0.474 -11.065 1.00 0.00 C ATOM 768 O LYS A 49 -16.802 0.982 -11.307 1.00 0.00 O ATOM 769 CB LYS A 49 -15.863 -0.933 -9.001 1.00 0.00 C ATOM 770 CG LYS A 49 -17.161 -1.611 -8.594 1.00 0.00 C ATOM 771 CD LYS A 49 -17.775 -0.949 -7.370 1.00 0.00 C ATOM 772 CE LYS A 49 -19.140 -0.355 -7.682 1.00 0.00 C ATOM 773 NZ LYS A 49 -19.876 -1.154 -8.701 1.00 0.00 N ATOM 0 H LYS A 49 -13.523 -1.058 -10.384 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.378 -1.554 -10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.031 -1.428 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.877 0.099 -8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.868 -1.573 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.973 -2.664 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.871 -1.682 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.110 -0.165 -7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.730 -0.302 -6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.017 0.667 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.899 -1.016 -8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.597 -0.843 -9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.646 -2.162 -8.584 1.00 0.00 H new ATOM 787 N TYR A 50 -14.556 1.111 -11.262 1.00 0.00 N ATOM 788 CA TYR A 50 -14.522 2.473 -11.787 1.00 0.00 C ATOM 789 C TYR A 50 -13.733 2.544 -13.092 1.00 0.00 C ATOM 790 O TYR A 50 -14.284 2.879 -14.141 1.00 0.00 O ATOM 791 CB TYR A 50 -13.910 3.426 -10.758 1.00 0.00 C ATOM 792 CG TYR A 50 -14.696 3.521 -9.470 1.00 0.00 C ATOM 793 CD1 TYR A 50 -14.545 2.568 -8.472 1.00 0.00 C ATOM 794 CD2 TYR A 50 -15.586 4.564 -9.252 1.00 0.00 C ATOM 795 CE1 TYR A 50 -15.258 2.651 -7.292 1.00 0.00 C ATOM 796 CE2 TYR A 50 -16.303 4.655 -8.073 1.00 0.00 C ATOM 797 CZ TYR A 50 -16.135 3.696 -7.097 1.00 0.00 C ATOM 798 OH TYR A 50 -16.847 3.783 -5.923 1.00 0.00 O ATOM 0 H TYR A 50 -13.639 0.709 -11.067 1.00 0.00 H new ATOM 0 HA TYR A 50 -15.549 2.776 -11.991 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.896 3.097 -10.530 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -13.831 4.420 -11.199 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.858 1.748 -8.621 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -15.721 5.316 -10.015 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.129 1.901 -6.526 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -16.991 5.473 -7.918 1.00 0.00 H new ATOM 0 HH TYR A 50 -16.230 3.930 -5.176 1.00 0.00 H new ATOM 808 N ASN A 51 -12.440 2.234 -13.020 1.00 0.00 N ATOM 809 CA ASN A 51 -11.576 2.271 -14.189 1.00 0.00 C ATOM 810 C ASN A 51 -10.114 2.296 -13.759 1.00 0.00 C ATOM 811 O ASN A 51 -9.645 3.278 -13.182 1.00 0.00 O ATOM 812 CB ASN A 51 -11.892 3.495 -15.049 1.00 0.00 C ATOM 813 CG ASN A 51 -11.354 3.364 -16.460 1.00 0.00 C ATOM 814 OD1 ASN A 51 -11.875 2.592 -17.266 1.00 0.00 O ATOM 815 ND2 ASN A 51 -10.305 4.117 -16.764 1.00 0.00 N ATOM 0 H ASN A 51 -11.970 1.954 -12.159 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.755 1.374 -14.782 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.972 3.640 -15.087 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.467 4.383 -14.582 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.897 4.070 -17.698 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.906 4.743 -16.064 1.00 0.00 H new ATOM 822 N PRO A 52 -9.369 1.211 -14.025 1.00 0.00 N ATOM 823 CA PRO A 52 -7.958 1.119 -13.651 1.00 0.00 C ATOM 824 C PRO A 52 -7.181 2.397 -13.986 1.00 0.00 C ATOM 825 O PRO A 52 -7.590 3.156 -14.865 1.00 0.00 O ATOM 826 CB PRO A 52 -7.458 -0.051 -14.490 1.00 0.00 C ATOM 827 CG PRO A 52 -8.648 -0.928 -14.668 1.00 0.00 C ATOM 828 CD PRO A 52 -9.843 -0.012 -14.706 1.00 0.00 C ATOM 0 HA PRO A 52 -7.822 0.984 -12.578 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.070 0.288 -15.450 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.648 -0.580 -13.988 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.571 -1.506 -15.589 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.731 -1.642 -13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.156 0.195 -15.729 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.699 -0.450 -14.193 1.00 0.00 H new ATOM 836 N THR A 53 -6.056 2.645 -13.291 1.00 0.00 N ATOM 837 CA THR A 53 -5.554 1.757 -12.244 1.00 0.00 C ATOM 838 C THR A 53 -5.650 2.431 -10.881 1.00 0.00 C ATOM 839 O THR A 53 -5.374 3.623 -10.747 1.00 0.00 O ATOM 840 CB THR A 53 -4.106 1.358 -12.534 1.00 0.00 C ATOM 841 OG1 THR A 53 -4.047 0.413 -13.588 1.00 0.00 O ATOM 842 CG2 THR A 53 -3.398 0.758 -11.340 1.00 0.00 C ATOM 0 H THR A 53 -5.474 3.469 -13.445 1.00 0.00 H new ATOM 0 HA THR A 53 -6.170 0.858 -12.231 1.00 0.00 H new ATOM 0 HB THR A 53 -3.602 2.285 -12.806 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.113 0.172 -13.759 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.376 0.498 -11.616 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.381 1.482 -10.525 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.926 -0.139 -11.017 1.00 0.00 H new ATOM 850 N TRP A 54 -6.061 1.666 -9.877 1.00 0.00 N ATOM 851 CA TRP A 54 -6.216 2.203 -8.532 1.00 0.00 C ATOM 852 C TRP A 54 -5.143 1.697 -7.575 1.00 0.00 C ATOM 853 O TRP A 54 -4.764 0.525 -7.596 1.00 0.00 O ATOM 854 CB TRP A 54 -7.597 1.850 -7.988 1.00 0.00 C ATOM 855 CG TRP A 54 -8.704 2.478 -8.771 1.00 0.00 C ATOM 856 CD1 TRP A 54 -9.192 2.061 -9.973 1.00 0.00 C ATOM 857 CD2 TRP A 54 -9.451 3.643 -8.413 1.00 0.00 C ATOM 858 NE1 TRP A 54 -10.197 2.897 -10.387 1.00 0.00 N ATOM 859 CE2 TRP A 54 -10.378 3.875 -9.445 1.00 0.00 C ATOM 860 CE3 TRP A 54 -9.428 4.513 -7.319 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -11.272 4.942 -9.415 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -10.316 5.571 -7.290 1.00 0.00 C ATOM 863 CH2 TRP A 54 -11.229 5.777 -8.332 1.00 0.00 C ATOM 0 H TRP A 54 -6.292 0.677 -9.968 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.106 3.285 -8.603 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.720 0.767 -7.997 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.666 2.170 -6.948 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.839 1.199 -10.519 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.724 2.806 -11.255 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.728 4.361 -6.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.975 5.105 -10.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.306 6.250 -6.450 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.913 6.611 -8.280 1.00 0.00 H new ATOM 874 N HIS A 55 -4.686 2.599 -6.718 1.00 0.00 N ATOM 875 CA HIS A 55 -3.682 2.292 -5.711 1.00 0.00 C ATOM 876 C HIS A 55 -4.113 2.903 -4.385 1.00 0.00 C ATOM 877 O HIS A 55 -4.051 4.120 -4.203 1.00 0.00 O ATOM 878 CB HIS A 55 -2.316 2.833 -6.134 1.00 0.00 C ATOM 879 CG HIS A 55 -2.130 2.870 -7.620 1.00 0.00 C ATOM 880 ND1 HIS A 55 -1.044 2.310 -8.259 1.00 0.00 N ATOM 881 CD2 HIS A 55 -2.904 3.404 -8.594 1.00 0.00 C ATOM 882 CE1 HIS A 55 -1.157 2.499 -9.562 1.00 0.00 C ATOM 883 NE2 HIS A 55 -2.277 3.159 -9.790 1.00 0.00 N ATOM 0 H HIS A 55 -5.003 3.568 -6.702 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.593 1.211 -5.602 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.191 3.839 -5.734 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.535 2.215 -5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.840 3.925 -8.456 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.453 2.170 -10.312 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -2.621 3.442 -10.708 1.00 0.00 H new ATOM 892 N CYS A 56 -4.598 2.063 -3.477 1.00 0.00 N ATOM 893 CA CYS A 56 -5.088 2.542 -2.191 1.00 0.00 C ATOM 894 C CYS A 56 -4.345 1.929 -1.011 1.00 0.00 C ATOM 895 O CYS A 56 -3.644 0.925 -1.142 1.00 0.00 O ATOM 896 CB CYS A 56 -6.577 2.229 -2.063 1.00 0.00 C ATOM 897 SG CYS A 56 -7.043 1.464 -0.491 1.00 0.00 S ATOM 0 H CYS A 56 -4.662 1.053 -3.607 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.914 3.618 -2.163 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.143 3.153 -2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.868 1.566 -2.877 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.314 0.406 -0.290 1.00 0.00 H new ATOM 903 N ILE A 57 -4.542 2.544 0.149 1.00 0.00 N ATOM 904 CA ILE A 57 -3.940 2.086 1.393 1.00 0.00 C ATOM 905 C ILE A 57 -5.000 2.041 2.488 1.00 0.00 C ATOM 906 O ILE A 57 -6.081 2.608 2.333 1.00 0.00 O ATOM 907 CB ILE A 57 -2.787 3.004 1.847 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.875 3.339 0.667 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.994 2.349 2.970 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.168 2.136 0.080 1.00 0.00 C ATOM 0 H ILE A 57 -5.124 3.375 0.253 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.532 1.091 1.214 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.213 3.933 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.467 3.817 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.129 4.065 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.184 3.011 3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.652 2.161 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.577 1.405 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.540 2.453 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.548 1.669 0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.907 1.418 -0.276 1.00 0.00 H new ATOM 922 N VAL A 58 -4.698 1.368 3.591 1.00 0.00 N ATOM 923 CA VAL A 58 -5.649 1.267 4.691 1.00 0.00 C ATOM 924 C VAL A 58 -4.966 0.841 5.983 1.00 0.00 C ATOM 925 O VAL A 58 -4.557 -0.309 6.132 1.00 0.00 O ATOM 926 CB VAL A 58 -6.780 0.274 4.365 1.00 0.00 C ATOM 927 CG1 VAL A 58 -6.202 -1.032 3.850 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.655 0.036 5.587 1.00 0.00 C ATOM 0 H VAL A 58 -3.812 0.888 3.747 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.075 2.261 4.828 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.405 0.704 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.013 -1.724 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.624 -0.842 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.554 -1.468 4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.448 -0.668 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.048 -0.374 6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.096 0.980 5.908 1.00 0.00 H new ATOM 938 N GLY A 59 -4.855 1.778 6.918 1.00 0.00 N ATOM 939 CA GLY A 59 -4.232 1.494 8.192 1.00 0.00 C ATOM 940 C GLY A 59 -4.946 2.196 9.328 1.00 0.00 C ATOM 941 O GLY A 59 -6.104 1.896 9.615 1.00 0.00 O ATOM 0 H GLY A 59 -5.189 2.736 6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.236 0.418 8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.189 1.809 8.166 1.00 0.00 H new ATOM 945 N ARG A 60 -4.262 3.134 9.973 1.00 0.00 N ATOM 946 CA ARG A 60 -4.849 3.873 11.074 1.00 0.00 C ATOM 947 C ARG A 60 -3.794 4.648 11.858 1.00 0.00 C ATOM 948 O ARG A 60 -4.125 5.514 12.669 1.00 0.00 O ATOM 949 CB ARG A 60 -5.585 2.911 11.991 1.00 0.00 C ATOM 950 CG ARG A 60 -4.669 2.040 12.830 1.00 0.00 C ATOM 951 CD ARG A 60 -5.214 1.861 14.236 1.00 0.00 C ATOM 952 NE ARG A 60 -4.408 0.935 15.028 1.00 0.00 N ATOM 953 CZ ARG A 60 -4.925 -0.001 15.817 1.00 0.00 C ATOM 954 NH1 ARG A 60 -6.240 -0.141 15.910 1.00 0.00 N ATOM 955 NH2 ARG A 60 -4.127 -0.799 16.514 1.00 0.00 N ATOM 0 H ARG A 60 -3.302 3.397 9.750 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.550 4.600 10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.235 3.482 12.654 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.228 2.270 11.388 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.555 1.066 12.355 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.677 2.490 12.877 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.248 2.829 14.736 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.239 1.493 14.182 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.392 1.011 14.972 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.857 0.470 15.375 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.635 -0.860 16.516 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.115 -0.695 16.445 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.526 -1.517 17.119 1.00 0.00 H new ATOM 969 N ASN A 61 -2.525 4.340 11.613 1.00 0.00 N ATOM 970 CA ASN A 61 -1.434 5.020 12.304 1.00 0.00 C ATOM 971 C ASN A 61 -0.134 4.918 11.513 1.00 0.00 C ATOM 972 O ASN A 61 0.936 4.720 12.087 1.00 0.00 O ATOM 973 CB ASN A 61 -1.240 4.433 13.703 1.00 0.00 C ATOM 974 CG ASN A 61 -1.754 5.355 14.792 1.00 0.00 C ATOM 975 OD1 ASN A 61 -0.838 5.925 15.566 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 -2.961 5.551 14.936 1.00 0.00 N flip ATOM 0 H ASN A 61 -2.227 3.629 10.946 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.700 6.073 12.393 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.757 3.475 13.767 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.181 4.235 13.868 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.630 5.092 14.318 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.292 6.173 15.674 1.00 0.00 H new ATOM 983 N PHE A 62 -0.232 5.054 10.195 1.00 0.00 N ATOM 984 CA PHE A 62 0.940 4.976 9.335 1.00 0.00 C ATOM 985 C PHE A 62 1.326 6.356 8.809 1.00 0.00 C ATOM 986 O PHE A 62 0.803 7.374 9.260 1.00 0.00 O ATOM 987 CB PHE A 62 0.674 4.025 8.167 1.00 0.00 C ATOM 988 CG PHE A 62 -0.260 4.585 7.128 1.00 0.00 C ATOM 989 CD1 PHE A 62 -1.304 5.424 7.489 1.00 0.00 C ATOM 990 CD2 PHE A 62 -0.090 4.271 5.790 1.00 0.00 C ATOM 991 CE1 PHE A 62 -2.159 5.938 6.532 1.00 0.00 C ATOM 992 CE2 PHE A 62 -0.944 4.782 4.830 1.00 0.00 C ATOM 993 CZ PHE A 62 -1.978 5.617 5.201 1.00 0.00 C ATOM 0 H PHE A 62 -1.109 5.218 9.701 1.00 0.00 H new ATOM 0 HA PHE A 62 1.771 4.592 9.927 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.622 3.774 7.692 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.256 3.096 8.555 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.450 5.678 8.528 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.719 3.620 5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.968 6.590 6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.802 4.528 3.790 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.644 6.019 4.452 1.00 0.00 H new ATOM 1003 N GLY A 63 2.243 6.376 7.848 1.00 0.00 N ATOM 1004 CA GLY A 63 2.689 7.626 7.263 1.00 0.00 C ATOM 1005 C GLY A 63 2.796 7.525 5.759 1.00 0.00 C ATOM 1006 O GLY A 63 3.860 7.212 5.223 1.00 0.00 O ATOM 0 H GLY A 63 2.688 5.543 7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.992 8.422 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.658 7.899 7.680 1.00 0.00 H new ATOM 1010 N SER A 64 1.685 7.769 5.076 1.00 0.00 N ATOM 1011 CA SER A 64 1.651 7.682 3.624 1.00 0.00 C ATOM 1012 C SER A 64 2.199 8.944 2.969 1.00 0.00 C ATOM 1013 O SER A 64 1.789 10.058 3.290 1.00 0.00 O ATOM 1014 CB SER A 64 0.223 7.420 3.140 1.00 0.00 C ATOM 1015 OG SER A 64 -0.663 8.432 3.585 1.00 0.00 O ATOM 0 H SER A 64 0.797 8.028 5.505 1.00 0.00 H new ATOM 0 HA SER A 64 2.290 6.849 3.331 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.208 7.373 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.115 6.450 3.505 1.00 0.00 H new ATOM 0 HG SER A 64 -1.512 8.360 3.101 1.00 0.00 H new ATOM 1021 N TYR A 65 3.128 8.745 2.042 1.00 0.00 N ATOM 1022 CA TYR A 65 3.748 9.846 1.316 1.00 0.00 C ATOM 1023 C TYR A 65 3.876 9.492 -0.162 1.00 0.00 C ATOM 1024 O TYR A 65 4.974 9.248 -0.661 1.00 0.00 O ATOM 1025 CB TYR A 65 5.126 10.159 1.901 1.00 0.00 C ATOM 1026 CG TYR A 65 5.611 11.557 1.596 1.00 0.00 C ATOM 1027 CD1 TYR A 65 5.180 12.642 2.348 1.00 0.00 C ATOM 1028 CD2 TYR A 65 6.503 11.790 0.557 1.00 0.00 C ATOM 1029 CE1 TYR A 65 5.623 13.921 2.072 1.00 0.00 C ATOM 1030 CE2 TYR A 65 6.951 13.066 0.275 1.00 0.00 C ATOM 1031 CZ TYR A 65 6.508 14.128 1.035 1.00 0.00 C ATOM 1032 OH TYR A 65 6.951 15.402 0.757 1.00 0.00 O ATOM 0 H TYR A 65 3.471 7.823 1.774 1.00 0.00 H new ATOM 0 HA TYR A 65 3.117 10.729 1.416 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.092 10.023 2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.848 9.441 1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.488 12.483 3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.852 10.960 -0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.278 14.755 2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.644 13.231 -0.536 1.00 0.00 H new ATOM 0 HH TYR A 65 7.570 15.375 -0.002 1.00 0.00 H new ATOM 1042 N VAL A 66 2.741 9.449 -0.853 1.00 0.00 N ATOM 1043 CA VAL A 66 2.719 9.108 -2.269 1.00 0.00 C ATOM 1044 C VAL A 66 2.600 10.349 -3.146 1.00 0.00 C ATOM 1045 O VAL A 66 2.289 11.439 -2.664 1.00 0.00 O ATOM 1046 CB VAL A 66 1.554 8.154 -2.593 1.00 0.00 C ATOM 1047 CG1 VAL A 66 1.886 6.737 -2.154 1.00 0.00 C ATOM 1048 CG2 VAL A 66 0.272 8.638 -1.933 1.00 0.00 C ATOM 0 H VAL A 66 1.824 9.647 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 66 3.666 8.612 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 66 1.401 8.148 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.051 6.078 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.779 6.394 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.066 6.722 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.541 7.953 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.410 8.674 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.027 9.634 -2.301 1.00 0.00 H new ATOM 1058 N THR A 67 2.848 10.170 -4.439 1.00 0.00 N ATOM 1059 CA THR A 67 2.769 11.264 -5.400 1.00 0.00 C ATOM 1060 C THR A 67 1.632 11.027 -6.390 1.00 0.00 C ATOM 1061 O THR A 67 1.867 10.776 -7.572 1.00 0.00 O ATOM 1062 CB THR A 67 4.095 11.400 -6.150 1.00 0.00 C ATOM 1063 OG1 THR A 67 5.186 11.095 -5.300 1.00 0.00 O ATOM 1064 CG2 THR A 67 4.328 12.783 -6.715 1.00 0.00 C ATOM 0 H THR A 67 3.107 9.272 -4.847 1.00 0.00 H new ATOM 0 HA THR A 67 2.570 12.188 -4.857 1.00 0.00 H new ATOM 0 HB THR A 67 4.029 10.695 -6.978 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.027 11.283 -5.767 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.286 12.807 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.530 13.029 -7.416 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.336 13.511 -5.904 1.00 0.00 H new ATOM 1072 N HIS A 68 0.401 11.101 -5.897 1.00 0.00 N ATOM 1073 CA HIS A 68 -0.776 10.886 -6.734 1.00 0.00 C ATOM 1074 C HIS A 68 -0.879 11.934 -7.836 1.00 0.00 C ATOM 1075 O HIS A 68 0.070 12.675 -8.096 1.00 0.00 O ATOM 1076 CB HIS A 68 -2.043 10.910 -5.879 1.00 0.00 C ATOM 1077 CG HIS A 68 -2.459 12.289 -5.473 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -1.914 12.951 -4.393 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -3.370 13.134 -6.010 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -2.474 14.143 -4.282 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -3.359 14.278 -5.252 1.00 0.00 N ATOM 0 H HIS A 68 0.191 11.308 -4.921 1.00 0.00 H new ATOM 0 HA HIS A 68 -0.672 9.908 -7.205 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.856 10.442 -6.434 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.880 10.309 -4.984 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.192 12.579 -3.776 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.990 12.943 -6.874 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.246 14.881 -3.527 1.00 0.00 H new ATOM 1090 N GLU A 69 -2.040 11.987 -8.483 1.00 0.00 N ATOM 1091 CA GLU A 69 -2.279 12.938 -9.561 1.00 0.00 C ATOM 1092 C GLU A 69 -3.720 12.843 -10.058 1.00 0.00 C ATOM 1093 O GLU A 69 -4.648 12.669 -9.268 1.00 0.00 O ATOM 1094 CB GLU A 69 -1.309 12.681 -10.716 1.00 0.00 C ATOM 1095 CG GLU A 69 -0.867 11.231 -10.825 1.00 0.00 C ATOM 1096 CD GLU A 69 0.489 11.085 -11.489 1.00 0.00 C ATOM 1097 OE1 GLU A 69 1.510 11.150 -10.773 1.00 0.00 O ATOM 1098 OE2 GLU A 69 0.529 10.904 -12.725 1.00 0.00 O ATOM 0 H GLU A 69 -2.833 11.379 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.113 13.943 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.783 12.979 -11.651 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.429 13.312 -10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.829 10.790 -9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.609 10.670 -11.394 1.00 0.00 H new ATOM 1105 N THR A 70 -3.897 12.957 -11.369 1.00 0.00 N ATOM 1106 CA THR A 70 -5.225 12.881 -11.973 1.00 0.00 C ATOM 1107 C THR A 70 -6.275 13.543 -11.086 1.00 0.00 C ATOM 1108 O THR A 70 -6.424 14.765 -11.089 1.00 0.00 O ATOM 1109 CB THR A 70 -5.608 11.424 -12.232 1.00 0.00 C ATOM 1110 OG1 THR A 70 -4.470 10.585 -12.154 1.00 0.00 O ATOM 1111 CG2 THR A 70 -6.249 11.204 -13.586 1.00 0.00 C ATOM 0 H THR A 70 -3.139 13.102 -12.035 1.00 0.00 H new ATOM 0 HA THR A 70 -5.191 13.418 -12.921 1.00 0.00 H new ATOM 0 HB THR A 70 -6.336 11.176 -11.459 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.736 9.657 -12.321 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.496 10.149 -13.705 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.159 11.800 -13.659 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.555 11.505 -14.370 1.00 0.00 H new ATOM 1119 N LYS A 71 -7.006 12.727 -10.330 1.00 0.00 N ATOM 1120 CA LYS A 71 -8.046 13.235 -9.441 1.00 0.00 C ATOM 1121 C LYS A 71 -8.808 12.089 -8.785 1.00 0.00 C ATOM 1122 O LYS A 71 -9.974 12.237 -8.415 1.00 0.00 O ATOM 1123 CB LYS A 71 -9.017 14.131 -10.212 1.00 0.00 C ATOM 1124 CG LYS A 71 -9.291 13.657 -11.629 1.00 0.00 C ATOM 1125 CD LYS A 71 -10.315 12.533 -11.653 1.00 0.00 C ATOM 1126 CE LYS A 71 -11.162 12.578 -12.914 1.00 0.00 C ATOM 1127 NZ LYS A 71 -12.608 12.755 -12.608 1.00 0.00 N ATOM 0 H LYS A 71 -6.897 11.713 -10.316 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.563 13.823 -8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.960 14.184 -9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.613 15.143 -10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.652 14.492 -12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.362 13.314 -12.085 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.804 11.572 -11.591 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.960 12.608 -10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.823 13.396 -13.549 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.021 11.656 -13.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.150 12.781 -13.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.939 11.961 -12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.747 13.647 -12.092 1.00 0.00 H new ATOM 1141 N HIS A 72 -8.142 10.950 -8.639 1.00 0.00 N ATOM 1142 CA HIS A 72 -8.754 9.780 -8.022 1.00 0.00 C ATOM 1143 C HIS A 72 -7.981 9.371 -6.774 1.00 0.00 C ATOM 1144 O HIS A 72 -7.633 8.203 -6.600 1.00 0.00 O ATOM 1145 CB HIS A 72 -8.803 8.616 -9.013 1.00 0.00 C ATOM 1146 CG HIS A 72 -9.623 8.905 -10.232 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -11.002 8.874 -10.236 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -9.253 9.230 -11.493 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -11.444 9.166 -11.447 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -10.402 9.387 -12.227 1.00 0.00 N ATOM 0 H HIS A 72 -7.177 10.812 -8.940 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.773 10.038 -7.735 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.787 8.366 -9.319 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.210 7.738 -8.511 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -11.589 8.659 -9.430 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.242 9.344 -11.854 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.480 9.215 -11.747 1.00 0.00 H new ATOM 1159 N PHE A 73 -7.712 10.346 -5.910 1.00 0.00 N ATOM 1160 CA PHE A 73 -6.975 10.096 -4.680 1.00 0.00 C ATOM 1161 C PHE A 73 -7.735 10.649 -3.479 1.00 0.00 C ATOM 1162 O PHE A 73 -8.103 11.824 -3.452 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.580 10.727 -4.768 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.971 11.058 -3.434 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -5.444 12.126 -2.690 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -3.928 10.301 -2.925 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.889 12.435 -1.464 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -3.367 10.604 -1.699 1.00 0.00 C ATOM 1169 CZ PHE A 73 -3.848 11.673 -0.967 1.00 0.00 C ATOM 0 H PHE A 73 -7.995 11.317 -6.041 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.867 9.019 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.917 10.044 -5.299 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.642 11.638 -5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.257 12.725 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.549 9.464 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.268 13.271 -0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.554 10.006 -1.314 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.412 11.913 -0.009 1.00 0.00 H new ATOM 1179 N ILE A 74 -7.965 9.798 -2.487 1.00 0.00 N ATOM 1180 CA ILE A 74 -8.678 10.207 -1.287 1.00 0.00 C ATOM 1181 C ILE A 74 -7.980 9.705 -0.029 1.00 0.00 C ATOM 1182 O ILE A 74 -7.536 8.559 0.035 1.00 0.00 O ATOM 1183 CB ILE A 74 -10.129 9.691 -1.284 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -10.925 10.386 -0.167 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -10.142 8.173 -1.127 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -12.192 9.664 0.254 1.00 0.00 C ATOM 0 H ILE A 74 -7.668 8.822 -2.491 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.685 11.297 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.607 9.929 -2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -10.280 10.497 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -11.189 11.390 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.172 7.816 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.601 7.717 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.662 7.900 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -12.686 10.228 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.862 9.576 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -11.939 8.669 0.621 1.00 0.00 H new ATOM 1198 N TYR A 75 -7.899 10.572 0.973 1.00 0.00 N ATOM 1199 CA TYR A 75 -7.270 10.225 2.241 1.00 0.00 C ATOM 1200 C TYR A 75 -8.246 10.455 3.388 1.00 0.00 C ATOM 1201 O TYR A 75 -8.856 11.518 3.488 1.00 0.00 O ATOM 1202 CB TYR A 75 -6.002 11.055 2.453 1.00 0.00 C ATOM 1203 CG TYR A 75 -5.038 10.448 3.447 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -4.294 9.320 3.122 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -4.872 11.003 4.709 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -3.412 8.763 4.029 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -3.992 10.451 5.620 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.265 9.332 5.275 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.389 8.780 6.180 1.00 0.00 O ATOM 0 H TYR A 75 -8.263 11.524 0.931 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.994 9.171 2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.494 11.178 1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -6.283 12.051 2.795 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.407 8.872 2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.440 11.880 4.983 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.841 7.886 3.762 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.874 10.894 6.598 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.165 7.867 5.903 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.404 9.452 4.245 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.321 9.560 5.374 1.00 0.00 C ATOM 1221 C PHE A 76 -8.975 8.557 6.468 1.00 0.00 C ATOM 1222 O PHE A 76 -8.182 7.639 6.259 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.761 9.337 4.905 1.00 0.00 C ATOM 1224 CG PHE A 76 -10.905 8.205 3.926 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -10.309 8.275 2.678 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.632 7.072 4.257 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -10.436 7.237 1.775 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -11.763 6.031 3.358 1.00 0.00 C ATOM 1229 CZ PHE A 76 -11.164 6.113 2.116 1.00 0.00 C ATOM 0 H PHE A 76 -7.913 8.561 4.181 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.224 10.563 5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.391 9.139 5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.131 10.254 4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.738 9.151 2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.101 7.002 5.227 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.967 7.304 0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.333 5.154 3.626 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.264 5.300 1.412 1.00 0.00 H new ATOM 1239 N TYR A 77 -9.582 8.741 7.635 1.00 0.00 N ATOM 1240 CA TYR A 77 -9.351 7.856 8.772 1.00 0.00 C ATOM 1241 C TYR A 77 -10.677 7.413 9.384 1.00 0.00 C ATOM 1242 O TYR A 77 -11.239 8.100 10.237 1.00 0.00 O ATOM 1243 CB TYR A 77 -8.495 8.559 9.828 1.00 0.00 C ATOM 1244 CG TYR A 77 -8.483 7.860 11.170 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -7.531 6.890 11.460 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -9.424 8.168 12.144 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -7.517 6.248 12.684 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -9.416 7.531 13.371 1.00 0.00 C ATOM 1249 CZ TYR A 77 -8.461 6.572 13.636 1.00 0.00 C ATOM 1250 OH TYR A 77 -8.449 5.934 14.856 1.00 0.00 O ATOM 0 H TYR A 77 -10.240 9.498 7.819 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.819 6.974 8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.472 8.636 9.460 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.863 9.576 9.962 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.790 6.634 10.717 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.174 8.917 11.940 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.770 5.496 12.894 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.154 7.783 14.118 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.250 6.183 15.363 1.00 0.00 H new ATOM 1260 N LEU A 78 -11.177 6.264 8.939 1.00 0.00 N ATOM 1261 CA LEU A 78 -12.441 5.737 9.441 1.00 0.00 C ATOM 1262 C LEU A 78 -12.472 5.754 10.965 1.00 0.00 C ATOM 1263 O LEU A 78 -11.483 6.100 11.612 1.00 0.00 O ATOM 1264 CB LEU A 78 -12.668 4.311 8.927 1.00 0.00 C ATOM 1265 CG LEU A 78 -12.970 4.187 7.429 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -14.427 4.519 7.148 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -12.051 5.087 6.614 1.00 0.00 C ATOM 0 H LEU A 78 -10.727 5.681 8.233 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.243 6.378 9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.781 3.718 9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.495 3.871 9.484 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.787 3.155 7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.622 4.425 6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.069 3.830 7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.635 5.540 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.284 4.982 5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.196 6.124 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.014 4.800 6.787 1.00 0.00 H new ATOM 1279 N GLY A 79 -13.616 5.380 11.533 1.00 0.00 N ATOM 1280 CA GLY A 79 -13.760 5.360 12.977 1.00 0.00 C ATOM 1281 C GLY A 79 -12.451 5.084 13.691 1.00 0.00 C ATOM 1282 O GLY A 79 -12.036 5.852 14.558 1.00 0.00 O ATOM 0 H GLY A 79 -14.447 5.090 11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.157 6.318 13.312 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.489 4.598 13.255 1.00 0.00 H new ATOM 1286 N GLN A 80 -11.799 3.985 13.324 1.00 0.00 N ATOM 1287 CA GLN A 80 -10.530 3.610 13.935 1.00 0.00 C ATOM 1288 C GLN A 80 -9.574 3.030 12.896 1.00 0.00 C ATOM 1289 O GLN A 80 -8.764 2.154 13.202 1.00 0.00 O ATOM 1290 CB GLN A 80 -10.761 2.597 15.057 1.00 0.00 C ATOM 1291 CG GLN A 80 -10.052 2.951 16.355 1.00 0.00 C ATOM 1292 CD GLN A 80 -11.020 3.199 17.496 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -10.889 4.175 18.234 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -11.999 2.314 17.643 1.00 0.00 N ATOM 0 H GLN A 80 -12.129 3.339 12.607 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.077 4.509 14.354 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.831 2.517 15.248 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.422 1.616 14.724 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.374 2.142 16.627 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.441 3.841 16.201 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -12.068 1.520 17.007 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.682 2.429 18.392 1.00 0.00 H new ATOM 1303 N VAL A 81 -9.673 3.528 11.668 1.00 0.00 N ATOM 1304 CA VAL A 81 -8.818 3.065 10.579 1.00 0.00 C ATOM 1305 C VAL A 81 -8.503 4.198 9.611 1.00 0.00 C ATOM 1306 O VAL A 81 -9.080 5.282 9.697 1.00 0.00 O ATOM 1307 CB VAL A 81 -9.471 1.909 9.801 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -8.553 1.426 8.690 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -9.828 0.768 10.742 1.00 0.00 C ATOM 0 H VAL A 81 -10.338 4.254 11.401 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.894 2.709 11.034 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.391 2.276 9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.032 0.609 8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.353 2.246 8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.614 1.076 9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.289 -0.041 10.175 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.924 0.401 11.228 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.527 1.125 11.498 1.00 0.00 H new ATOM 1319 N ALA A 82 -7.583 3.940 8.688 1.00 0.00 N ATOM 1320 CA ALA A 82 -7.188 4.936 7.702 1.00 0.00 C ATOM 1321 C ALA A 82 -7.193 4.339 6.302 1.00 0.00 C ATOM 1322 O ALA A 82 -7.022 3.131 6.132 1.00 0.00 O ATOM 1323 CB ALA A 82 -5.815 5.496 8.037 1.00 0.00 C ATOM 0 H ALA A 82 -7.097 3.047 8.603 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.912 5.751 7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.533 6.239 7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.843 5.963 9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.083 4.688 8.039 1.00 0.00 H new ATOM 1329 N ILE A 83 -7.394 5.186 5.300 1.00 0.00 N ATOM 1330 CA ILE A 83 -7.424 4.728 3.918 1.00 0.00 C ATOM 1331 C ILE A 83 -6.808 5.757 2.977 1.00 0.00 C ATOM 1332 O ILE A 83 -7.262 6.900 2.904 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.862 4.420 3.453 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -9.793 4.234 4.659 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.876 3.186 2.562 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.614 2.911 5.376 1.00 0.00 C ATOM 0 H ILE A 83 -7.538 6.189 5.418 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.835 3.812 3.883 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.228 5.267 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.621 5.045 5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.827 4.317 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.897 2.980 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.249 3.361 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.491 2.331 3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.307 2.856 6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.815 2.092 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.591 2.832 5.744 1.00 0.00 H new ATOM 1348 N LEU A 84 -5.774 5.340 2.256 1.00 0.00 N ATOM 1349 CA LEU A 84 -5.091 6.215 1.309 1.00 0.00 C ATOM 1350 C LEU A 84 -5.327 5.735 -0.122 1.00 0.00 C ATOM 1351 O LEU A 84 -4.578 4.909 -0.641 1.00 0.00 O ATOM 1352 CB LEU A 84 -3.590 6.257 1.623 1.00 0.00 C ATOM 1353 CG LEU A 84 -2.671 6.487 0.421 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -2.827 7.903 -0.104 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -1.222 6.212 0.797 1.00 0.00 C ATOM 0 H LEU A 84 -5.388 4.397 2.309 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.496 7.223 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.411 7.048 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.310 5.317 2.098 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.958 5.794 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.166 8.049 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.860 8.065 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.567 8.613 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.583 6.381 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.922 6.880 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.122 5.178 1.126 1.00 0.00 H new ATOM 1367 N LEU A 85 -6.383 6.248 -0.745 1.00 0.00 N ATOM 1368 CA LEU A 85 -6.731 5.864 -2.109 1.00 0.00 C ATOM 1369 C LEU A 85 -6.156 6.833 -3.136 1.00 0.00 C ATOM 1370 O LEU A 85 -6.059 8.034 -2.889 1.00 0.00 O ATOM 1371 CB LEU A 85 -8.250 5.804 -2.271 1.00 0.00 C ATOM 1372 CG LEU A 85 -8.812 4.423 -2.603 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -9.079 3.643 -1.328 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -10.081 4.549 -3.431 1.00 0.00 C ATOM 0 H LEU A 85 -7.014 6.932 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.298 4.880 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.712 6.155 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.544 6.498 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.074 3.879 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.479 2.661 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.149 3.524 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.801 4.183 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.467 3.555 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.828 5.109 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.858 5.073 -4.361 1.00 0.00 H new ATOM 1386 N PHE A 86 -5.792 6.295 -4.294 1.00 0.00 N ATOM 1387 CA PHE A 86 -5.241 7.103 -5.380 1.00 0.00 C ATOM 1388 C PHE A 86 -4.845 6.226 -6.566 1.00 0.00 C ATOM 1389 O PHE A 86 -4.315 5.128 -6.388 1.00 0.00 O ATOM 1390 CB PHE A 86 -4.038 7.912 -4.891 1.00 0.00 C ATOM 1391 CG PHE A 86 -2.744 7.148 -4.910 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -2.447 6.242 -3.907 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -1.826 7.341 -5.930 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -1.258 5.539 -3.919 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -0.634 6.641 -5.948 1.00 0.00 C ATOM 1396 CZ PHE A 86 -0.350 5.739 -4.941 1.00 0.00 C ATOM 0 H PHE A 86 -5.868 5.300 -4.507 1.00 0.00 H new ATOM 0 HA PHE A 86 -6.015 7.796 -5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.933 8.801 -5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.232 8.255 -3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.153 6.083 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.044 8.046 -6.719 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.038 4.834 -3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.074 6.799 -6.748 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.581 5.191 -4.953 1.00 0.00 H new ATOM 1406 N LYS A 87 -5.106 6.716 -7.776 1.00 0.00 N ATOM 1407 CA LYS A 87 -4.778 5.974 -8.991 1.00 0.00 C ATOM 1408 C LYS A 87 -3.472 6.472 -9.599 1.00 0.00 C ATOM 1409 O LYS A 87 -2.830 7.376 -9.064 1.00 0.00 O ATOM 1410 CB LYS A 87 -5.908 6.102 -10.012 1.00 0.00 C ATOM 1411 CG LYS A 87 -7.267 5.701 -9.466 1.00 0.00 C ATOM 1412 CD LYS A 87 -8.339 5.796 -10.536 1.00 0.00 C ATOM 1413 CE LYS A 87 -8.060 4.849 -11.692 1.00 0.00 C ATOM 1414 NZ LYS A 87 -6.956 5.343 -12.561 1.00 0.00 N ATOM 0 H LYS A 87 -5.543 7.623 -7.941 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.656 4.925 -8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.956 7.133 -10.362 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.676 5.482 -10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.221 4.682 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.529 6.345 -8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.311 5.563 -10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.393 6.819 -10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.801 3.865 -11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.964 4.727 -12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.136 5.059 -13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.906 6.380 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.054 4.935 -12.242 1.00 0.00 H new ATOM 1428 N SER A 88 -3.087 5.878 -10.723 1.00 0.00 N ATOM 1429 CA SER A 88 -1.860 6.262 -11.408 1.00 0.00 C ATOM 1430 C SER A 88 -2.146 6.641 -12.851 1.00 0.00 C ATOM 1431 O SER A 88 -1.253 6.648 -13.699 1.00 0.00 O ATOM 1432 CB SER A 88 -0.846 5.122 -11.360 1.00 0.00 C ATOM 1433 OG SER A 88 0.315 5.499 -10.641 1.00 0.00 O ATOM 0 H SER A 88 -3.608 5.129 -11.179 1.00 0.00 H new ATOM 0 HA SER A 88 -1.442 7.130 -10.897 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.299 4.248 -10.892 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.571 4.833 -12.374 1.00 0.00 H new ATOM 0 HG SER A 88 1.092 5.022 -11.000 1.00 0.00 H new ATOM 1439 N GLY A 89 -3.401 6.956 -13.115 1.00 0.00 N ATOM 1440 CA GLY A 89 -3.812 7.338 -14.454 1.00 0.00 C ATOM 1441 C GLY A 89 -5.065 6.614 -14.906 1.00 0.00 C ATOM 1442 O GLY A 89 -6.141 6.870 -14.325 1.00 0.00 O ATOM 1443 OXT GLY A 89 -4.971 5.791 -15.841 1.00 0.00 O ATOM 0 H GLY A 89 -4.151 6.955 -12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.987 8.413 -14.484 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.003 7.127 -15.153 1.00 0.00 H new TER 1447 GLY A 89 ATOM 1448 N MET B 1 24.553 -7.071 6.129 1.00 0.00 N ATOM 1449 CA MET B 1 24.073 -6.760 7.502 1.00 0.00 C ATOM 1450 C MET B 1 24.330 -5.299 7.858 1.00 0.00 C ATOM 1451 O MET B 1 24.002 -4.850 8.956 1.00 0.00 O ATOM 1452 CB MET B 1 24.793 -7.678 8.490 1.00 0.00 C ATOM 1453 CG MET B 1 24.298 -7.537 9.920 1.00 0.00 C ATOM 1454 SD MET B 1 24.007 -9.130 10.715 1.00 0.00 S ATOM 1455 CE MET B 1 25.604 -9.913 10.504 1.00 0.00 C ATOM 0 H1 MET B 1 24.305 -8.052 5.888 1.00 0.00 H new ATOM 0 H2 MET B 1 24.105 -6.424 5.450 1.00 0.00 H new ATOM 0 H3 MET B 1 25.586 -6.955 6.088 1.00 0.00 H new ATOM 0 HA MET B 1 22.997 -6.926 7.551 1.00 0.00 H new ATOM 0 HB2 MET B 1 24.667 -8.713 8.171 1.00 0.00 H new ATOM 0 HB3 MET B 1 25.861 -7.463 8.461 1.00 0.00 H new ATOM 0 HG2 MET B 1 25.030 -6.974 10.500 1.00 0.00 H new ATOM 0 HG3 MET B 1 23.374 -6.959 9.925 1.00 0.00 H new ATOM 0 HE1 MET B 1 25.724 -10.702 11.247 1.00 0.00 H new ATOM 0 HE2 MET B 1 25.669 -10.343 9.505 1.00 0.00 H new ATOM 0 HE3 MET B 1 26.393 -9.171 10.632 1.00 0.00 H new ATOM 1467 N CYS B 2 24.919 -4.561 6.922 1.00 0.00 N ATOM 1468 CA CYS B 2 25.219 -3.151 7.139 1.00 0.00 C ATOM 1469 C CYS B 2 24.150 -2.493 8.004 1.00 0.00 C ATOM 1470 O CYS B 2 24.384 -2.187 9.174 1.00 0.00 O ATOM 1471 CB CYS B 2 25.328 -2.419 5.800 1.00 0.00 C ATOM 1472 SG CYS B 2 25.745 -3.491 4.405 1.00 0.00 S ATOM 0 H CYS B 2 25.197 -4.916 6.007 1.00 0.00 H new ATOM 0 HA CYS B 2 26.174 -3.086 7.661 1.00 0.00 H new ATOM 0 HB2 CYS B 2 24.381 -1.922 5.592 1.00 0.00 H new ATOM 0 HB3 CYS B 2 26.085 -1.640 5.885 1.00 0.00 H new ATOM 0 HG CYS B 2 24.829 -4.404 4.270 1.00 0.00 H new ATOM 1478 N ASP B 3 22.976 -2.277 7.421 1.00 0.00 N ATOM 1479 CA ASP B 3 21.869 -1.653 8.137 1.00 0.00 C ATOM 1480 C ASP B 3 20.593 -2.476 7.993 1.00 0.00 C ATOM 1481 O ASP B 3 20.388 -3.455 8.712 1.00 0.00 O ATOM 1482 CB ASP B 3 21.636 -0.234 7.616 1.00 0.00 C ATOM 1483 CG ASP B 3 22.716 0.215 6.652 1.00 0.00 C ATOM 1484 OD1 ASP B 3 23.826 0.549 7.118 1.00 0.00 O ATOM 1485 OD2 ASP B 3 22.453 0.233 5.432 1.00 0.00 O ATOM 0 H ASP B 3 22.766 -2.525 6.454 1.00 0.00 H new ATOM 0 HA ASP B 3 22.132 -1.608 9.194 1.00 0.00 H new ATOM 0 HB2 ASP B 3 20.667 -0.188 7.118 1.00 0.00 H new ATOM 0 HB3 ASP B 3 21.595 0.457 8.458 1.00 0.00 H new ATOM 1490 N ARG B 4 19.737 -2.073 7.060 1.00 0.00 N ATOM 1491 CA ARG B 4 18.479 -2.772 6.820 1.00 0.00 C ATOM 1492 C ARG B 4 17.535 -2.622 8.008 1.00 0.00 C ATOM 1493 O ARG B 4 16.527 -1.919 7.927 1.00 0.00 O ATOM 1494 CB ARG B 4 18.737 -4.255 6.545 1.00 0.00 C ATOM 1495 CG ARG B 4 19.791 -4.503 5.478 1.00 0.00 C ATOM 1496 CD ARG B 4 19.158 -4.877 4.146 1.00 0.00 C ATOM 1497 NE ARG B 4 17.805 -5.400 4.310 1.00 0.00 N ATOM 1498 CZ ARG B 4 17.018 -5.741 3.294 1.00 0.00 C ATOM 1499 NH1 ARG B 4 17.454 -5.628 2.047 1.00 0.00 N ATOM 1500 NH2 ARG B 4 15.795 -6.199 3.525 1.00 0.00 N ATOM 0 H ARG B 4 19.891 -1.265 6.457 1.00 0.00 H new ATOM 0 HA ARG B 4 18.008 -2.324 5.945 1.00 0.00 H new ATOM 0 HB2 ARG B 4 19.049 -4.738 7.471 1.00 0.00 H new ATOM 0 HB3 ARG B 4 17.803 -4.727 6.238 1.00 0.00 H new ATOM 0 HG2 ARG B 4 20.402 -3.609 5.354 1.00 0.00 H new ATOM 0 HG3 ARG B 4 20.458 -5.302 5.802 1.00 0.00 H new ATOM 0 HD2 ARG B 4 19.132 -4.001 3.499 1.00 0.00 H new ATOM 0 HD3 ARG B 4 19.777 -5.623 3.647 1.00 0.00 H new ATOM 0 HE ARG B 4 17.443 -5.510 5.257 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.395 -5.279 1.865 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.848 -5.890 1.269 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.457 -6.290 4.483 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.192 -6.460 2.745 1.00 0.00 H new ATOM 1514 N LYS B 5 17.863 -3.289 9.110 1.00 0.00 N ATOM 1515 CA LYS B 5 17.039 -3.230 10.312 1.00 0.00 C ATOM 1516 C LYS B 5 15.559 -3.247 9.947 1.00 0.00 C ATOM 1517 O LYS B 5 14.724 -2.703 10.670 1.00 0.00 O ATOM 1518 CB LYS B 5 17.366 -1.976 11.124 1.00 0.00 C ATOM 1519 CG LYS B 5 18.441 -2.193 12.177 1.00 0.00 C ATOM 1520 CD LYS B 5 18.087 -3.340 13.110 1.00 0.00 C ATOM 1521 CE LYS B 5 17.385 -2.844 14.364 1.00 0.00 C ATOM 1522 NZ LYS B 5 17.162 -3.941 15.346 1.00 0.00 N ATOM 0 H LYS B 5 18.693 -3.876 9.195 1.00 0.00 H new ATOM 0 HA LYS B 5 17.258 -4.108 10.920 1.00 0.00 H new ATOM 0 HB2 LYS B 5 17.690 -1.188 10.444 1.00 0.00 H new ATOM 0 HB3 LYS B 5 16.458 -1.623 11.612 1.00 0.00 H new ATOM 0 HG2 LYS B 5 19.393 -2.401 11.688 1.00 0.00 H new ATOM 0 HG3 LYS B 5 18.573 -1.279 12.757 1.00 0.00 H new ATOM 0 HD2 LYS B 5 17.444 -4.049 12.588 1.00 0.00 H new ATOM 0 HD3 LYS B 5 18.994 -3.877 13.388 1.00 0.00 H new ATOM 0 HE2 LYS B 5 17.981 -2.058 14.827 1.00 0.00 H new ATOM 0 HE3 LYS B 5 16.427 -2.400 14.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 16.681 -3.562 16.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 16.572 -4.680 14.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 18.077 -4.349 15.625 1.00 0.00 H new ATOM 1536 N ALA B 6 15.245 -3.876 8.821 1.00 0.00 N ATOM 1537 CA ALA B 6 13.867 -3.971 8.352 1.00 0.00 C ATOM 1538 C ALA B 6 13.494 -5.415 8.036 1.00 0.00 C ATOM 1539 O ALA B 6 14.216 -6.345 8.393 1.00 0.00 O ATOM 1540 CB ALA B 6 13.664 -3.090 7.127 1.00 0.00 C ATOM 0 H ALA B 6 15.928 -4.329 8.214 1.00 0.00 H new ATOM 0 HA ALA B 6 13.212 -3.620 9.150 1.00 0.00 H new ATOM 0 HB1 ALA B 6 12.631 -3.171 6.788 1.00 0.00 H new ATOM 0 HB2 ALA B 6 13.881 -2.053 7.384 1.00 0.00 H new ATOM 0 HB3 ALA B 6 14.334 -3.414 6.331 1.00 0.00 H new ATOM 1546 N VAL B 7 12.363 -5.595 7.363 1.00 0.00 N ATOM 1547 CA VAL B 7 11.896 -6.927 7.000 1.00 0.00 C ATOM 1548 C VAL B 7 11.032 -6.879 5.746 1.00 0.00 C ATOM 1549 O VAL B 7 9.810 -7.005 5.817 1.00 0.00 O ATOM 1550 CB VAL B 7 11.086 -7.569 8.143 1.00 0.00 C ATOM 1551 CG1 VAL B 7 10.461 -8.878 7.686 1.00 0.00 C ATOM 1552 CG2 VAL B 7 11.969 -7.788 9.363 1.00 0.00 C ATOM 0 H VAL B 7 11.753 -4.836 7.058 1.00 0.00 H new ATOM 0 HA VAL B 7 12.781 -7.533 6.808 1.00 0.00 H new ATOM 0 HB VAL B 7 10.282 -6.888 8.421 1.00 0.00 H new ATOM 0 HG11 VAL B 7 9.893 -9.316 8.507 1.00 0.00 H new ATOM 0 HG12 VAL B 7 9.795 -8.689 6.844 1.00 0.00 H new ATOM 0 HG13 VAL B 7 11.246 -9.569 7.379 1.00 0.00 H new ATOM 0 HG21 VAL B 7 11.381 -8.242 10.161 1.00 0.00 H new ATOM 0 HG22 VAL B 7 12.795 -8.448 9.100 1.00 0.00 H new ATOM 0 HG23 VAL B 7 12.364 -6.831 9.703 1.00 0.00 H new ATOM 1562 N ILE B 8 11.675 -6.692 4.598 1.00 0.00 N ATOM 1563 CA ILE B 8 10.964 -6.624 3.329 1.00 0.00 C ATOM 1564 C ILE B 8 9.884 -7.702 3.252 1.00 0.00 C ATOM 1565 O ILE B 8 9.930 -8.704 3.966 1.00 0.00 O ATOM 1566 CB ILE B 8 11.946 -6.747 2.126 1.00 0.00 C ATOM 1567 CG1 ILE B 8 12.327 -5.355 1.620 1.00 0.00 C ATOM 1568 CG2 ILE B 8 11.358 -7.573 0.984 1.00 0.00 C ATOM 1569 CD1 ILE B 8 13.531 -4.765 2.320 1.00 0.00 C ATOM 0 H ILE B 8 12.686 -6.585 4.522 1.00 0.00 H new ATOM 0 HA ILE B 8 10.481 -5.649 3.272 1.00 0.00 H new ATOM 0 HB ILE B 8 12.835 -7.267 2.482 1.00 0.00 H new ATOM 0 HG12 ILE B 8 12.529 -5.409 0.550 1.00 0.00 H new ATOM 0 HG13 ILE B 8 11.477 -4.685 1.750 1.00 0.00 H new ATOM 0 HG21 ILE B 8 12.079 -7.631 0.168 1.00 0.00 H new ATOM 0 HG22 ILE B 8 11.132 -8.578 1.341 1.00 0.00 H new ATOM 0 HG23 ILE B 8 10.443 -7.101 0.627 1.00 0.00 H new ATOM 0 HD11 ILE B 8 13.743 -3.778 1.910 1.00 0.00 H new ATOM 0 HD12 ILE B 8 13.325 -4.678 3.387 1.00 0.00 H new ATOM 0 HD13 ILE B 8 14.394 -5.413 2.169 1.00 0.00 H new ATOM 1581 N LYS B 9 8.924 -7.483 2.364 1.00 0.00 N ATOM 1582 CA LYS B 9 7.828 -8.418 2.157 1.00 0.00 C ATOM 1583 C LYS B 9 7.315 -8.307 0.727 1.00 0.00 C ATOM 1584 O LYS B 9 6.584 -9.173 0.248 1.00 0.00 O ATOM 1585 CB LYS B 9 6.690 -8.146 3.144 1.00 0.00 C ATOM 1586 CG LYS B 9 7.149 -7.513 4.447 1.00 0.00 C ATOM 1587 CD LYS B 9 6.943 -8.454 5.624 1.00 0.00 C ATOM 1588 CE LYS B 9 7.344 -7.801 6.935 1.00 0.00 C ATOM 1589 NZ LYS B 9 7.021 -8.663 8.106 1.00 0.00 N ATOM 0 H LYS B 9 8.883 -6.655 1.769 1.00 0.00 H new ATOM 0 HA LYS B 9 8.198 -9.429 2.329 1.00 0.00 H new ATOM 0 HB2 LYS B 9 5.959 -7.491 2.670 1.00 0.00 H new ATOM 0 HB3 LYS B 9 6.181 -9.084 3.366 1.00 0.00 H new ATOM 0 HG2 LYS B 9 8.203 -7.247 4.372 1.00 0.00 H new ATOM 0 HG3 LYS B 9 6.598 -6.588 4.618 1.00 0.00 H new ATOM 0 HD2 LYS B 9 5.897 -8.755 5.671 1.00 0.00 H new ATOM 0 HD3 LYS B 9 7.529 -9.360 5.473 1.00 0.00 H new ATOM 0 HE2 LYS B 9 8.413 -7.590 6.923 1.00 0.00 H new ATOM 0 HE3 LYS B 9 6.831 -6.844 7.036 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 7.310 -8.182 8.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 5.997 -8.844 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 7.530 -9.566 8.023 1.00 0.00 H new ATOM 1603 N ASN B 10 7.707 -7.230 0.052 1.00 0.00 N ATOM 1604 CA ASN B 10 7.292 -6.998 -1.326 1.00 0.00 C ATOM 1605 C ASN B 10 8.045 -5.815 -1.926 1.00 0.00 C ATOM 1606 O ASN B 10 7.806 -4.666 -1.560 1.00 0.00 O ATOM 1607 CB ASN B 10 5.787 -6.743 -1.387 1.00 0.00 C ATOM 1608 CG ASN B 10 5.141 -7.372 -2.606 1.00 0.00 C ATOM 1609 OD1 ASN B 10 4.715 -6.673 -3.526 1.00 0.00 O ATOM 1610 ND2 ASN B 10 5.068 -8.697 -2.621 1.00 0.00 N ATOM 0 H ASN B 10 8.312 -6.505 0.438 1.00 0.00 H new ATOM 0 HA ASN B 10 7.527 -7.889 -1.908 1.00 0.00 H new ATOM 0 HB2 ASN B 10 5.318 -7.139 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN B 10 5.604 -5.669 -1.396 1.00 0.00 H new ATOM 0 HD21 ASN B 10 4.646 -9.176 -3.417 1.00 0.00 H new ATOM 0 HD22 ASN B 10 5.434 -9.237 -1.837 1.00 0.00 H new ATOM 1617 N ALA B 11 8.957 -6.098 -2.847 1.00 0.00 N ATOM 1618 CA ALA B 11 9.739 -5.045 -3.483 1.00 0.00 C ATOM 1619 C ALA B 11 9.961 -5.326 -4.963 1.00 0.00 C ATOM 1620 O ALA B 11 10.807 -6.139 -5.331 1.00 0.00 O ATOM 1621 CB ALA B 11 11.073 -4.884 -2.774 1.00 0.00 C ATOM 0 H ALA B 11 9.173 -7.041 -3.169 1.00 0.00 H new ATOM 0 HA ALA B 11 9.174 -4.116 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA B 11 11.649 -4.095 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA B 11 10.901 -4.620 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA B 11 11.628 -5.821 -2.825 1.00 0.00 H new ATOM 1627 N ASP B 12 9.204 -4.637 -5.809 1.00 0.00 N ATOM 1628 CA ASP B 12 9.328 -4.803 -7.251 1.00 0.00 C ATOM 1629 C ASP B 12 10.427 -3.903 -7.797 1.00 0.00 C ATOM 1630 O ASP B 12 10.406 -3.513 -8.963 1.00 0.00 O ATOM 1631 CB ASP B 12 8.000 -4.492 -7.943 1.00 0.00 C ATOM 1632 CG ASP B 12 7.750 -5.388 -9.141 1.00 0.00 C ATOM 1633 OD1 ASP B 12 7.768 -6.625 -8.970 1.00 0.00 O ATOM 1634 OD2 ASP B 12 7.537 -4.852 -10.248 1.00 0.00 O ATOM 0 H ASP B 12 8.499 -3.959 -5.521 1.00 0.00 H new ATOM 0 HA ASP B 12 9.592 -5.841 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.185 -4.609 -7.229 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.996 -3.450 -8.264 1.00 0.00 H new ATOM 1639 N MET B 13 11.387 -3.583 -6.939 1.00 0.00 N ATOM 1640 CA MET B 13 12.506 -2.730 -7.321 1.00 0.00 C ATOM 1641 C MET B 13 13.817 -3.505 -7.271 1.00 0.00 C ATOM 1642 O MET B 13 13.926 -4.514 -6.574 1.00 0.00 O ATOM 1643 CB MET B 13 12.586 -1.513 -6.394 1.00 0.00 C ATOM 1644 CG MET B 13 13.935 -0.811 -6.427 1.00 0.00 C ATOM 1645 SD MET B 13 13.811 0.958 -6.102 1.00 0.00 S ATOM 1646 CE MET B 13 13.165 0.951 -4.433 1.00 0.00 C ATOM 0 H MET B 13 11.413 -3.902 -5.971 1.00 0.00 H new ATOM 0 HA MET B 13 12.341 -2.390 -8.343 1.00 0.00 H new ATOM 0 HB2 MET B 13 11.809 -0.802 -6.674 1.00 0.00 H new ATOM 0 HB3 MET B 13 12.376 -1.830 -5.373 1.00 0.00 H new ATOM 0 HG2 MET B 13 14.594 -1.266 -5.688 1.00 0.00 H new ATOM 0 HG3 MET B 13 14.396 -0.965 -7.403 1.00 0.00 H new ATOM 0 HE1 MET B 13 13.438 1.880 -3.933 1.00 0.00 H new ATOM 0 HE2 MET B 13 12.079 0.861 -4.464 1.00 0.00 H new ATOM 0 HE3 MET B 13 13.584 0.107 -3.884 1.00 0.00 H new ATOM 1656 N SER B 14 14.810 -3.024 -8.009 1.00 0.00 N ATOM 1657 CA SER B 14 16.118 -3.670 -8.043 1.00 0.00 C ATOM 1658 C SER B 14 16.584 -4.014 -6.632 1.00 0.00 C ATOM 1659 O SER B 14 16.198 -3.360 -5.664 1.00 0.00 O ATOM 1660 CB SER B 14 17.143 -2.760 -8.722 1.00 0.00 C ATOM 1661 OG SER B 14 16.522 -1.912 -9.674 1.00 0.00 O ATOM 0 H SER B 14 14.736 -2.190 -8.592 1.00 0.00 H new ATOM 0 HA SER B 14 16.028 -4.593 -8.616 1.00 0.00 H new ATOM 0 HB2 SER B 14 17.652 -2.157 -7.971 1.00 0.00 H new ATOM 0 HB3 SER B 14 17.904 -3.367 -9.213 1.00 0.00 H new ATOM 0 HG SER B 14 17.198 -1.339 -10.092 1.00 0.00 H new ATOM 1667 N GLU B 15 17.413 -5.048 -6.520 1.00 0.00 N ATOM 1668 CA GLU B 15 17.930 -5.481 -5.225 1.00 0.00 C ATOM 1669 C GLU B 15 18.648 -4.340 -4.510 1.00 0.00 C ATOM 1670 O GLU B 15 18.161 -3.819 -3.508 1.00 0.00 O ATOM 1671 CB GLU B 15 18.881 -6.666 -5.402 1.00 0.00 C ATOM 1672 CG GLU B 15 18.170 -7.984 -5.663 1.00 0.00 C ATOM 1673 CD GLU B 15 18.497 -9.038 -4.625 1.00 0.00 C ATOM 1674 OE1 GLU B 15 18.911 -8.664 -3.507 1.00 0.00 O ATOM 1675 OE2 GLU B 15 18.338 -10.239 -4.928 1.00 0.00 O ATOM 0 H GLU B 15 17.741 -5.602 -7.311 1.00 0.00 H new ATOM 0 HA GLU B 15 17.083 -5.790 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU B 15 19.557 -6.457 -6.231 1.00 0.00 H new ATOM 0 HB3 GLU B 15 19.495 -6.765 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU B 15 17.093 -7.815 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU B 15 18.448 -8.353 -6.650 1.00 0.00 H new ATOM 1682 N GLU B 16 19.809 -3.957 -5.028 1.00 0.00 N ATOM 1683 CA GLU B 16 20.583 -2.876 -4.432 1.00 0.00 C ATOM 1684 C GLU B 16 19.701 -1.657 -4.191 1.00 0.00 C ATOM 1685 O GLU B 16 19.976 -0.839 -3.312 1.00 0.00 O ATOM 1686 CB GLU B 16 21.760 -2.502 -5.335 1.00 0.00 C ATOM 1687 CG GLU B 16 21.396 -2.431 -6.809 1.00 0.00 C ATOM 1688 CD GLU B 16 22.472 -3.013 -7.703 1.00 0.00 C ATOM 1689 OE1 GLU B 16 22.528 -4.254 -7.835 1.00 0.00 O ATOM 1690 OE2 GLU B 16 23.260 -2.229 -8.271 1.00 0.00 O ATOM 0 H GLU B 16 20.233 -4.377 -5.855 1.00 0.00 H new ATOM 0 HA GLU B 16 20.971 -3.221 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU B 16 22.157 -1.537 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU B 16 22.557 -3.233 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU B 16 20.462 -2.967 -6.975 1.00 0.00 H new ATOM 0 HG3 GLU B 16 21.221 -1.392 -7.087 1.00 0.00 H new ATOM 1697 N MET B 17 18.636 -1.545 -4.978 1.00 0.00 N ATOM 1698 CA MET B 17 17.706 -0.431 -4.853 1.00 0.00 C ATOM 1699 C MET B 17 16.829 -0.593 -3.616 1.00 0.00 C ATOM 1700 O MET B 17 16.581 0.370 -2.890 1.00 0.00 O ATOM 1701 CB MET B 17 16.831 -0.327 -6.103 1.00 0.00 C ATOM 1702 CG MET B 17 17.490 0.426 -7.245 1.00 0.00 C ATOM 1703 SD MET B 17 16.551 1.879 -7.751 1.00 0.00 S ATOM 1704 CE MET B 17 16.338 2.709 -6.178 1.00 0.00 C ATOM 0 H MET B 17 18.396 -2.214 -5.710 1.00 0.00 H new ATOM 0 HA MET B 17 18.287 0.486 -4.748 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.574 -1.331 -6.441 1.00 0.00 H new ATOM 0 HB3 MET B 17 15.897 0.170 -5.842 1.00 0.00 H new ATOM 0 HG2 MET B 17 18.492 0.732 -6.943 1.00 0.00 H new ATOM 0 HG3 MET B 17 17.605 -0.243 -8.098 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.281 3.786 -6.339 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.418 2.364 -5.706 1.00 0.00 H new ATOM 0 HE3 MET B 17 17.185 2.483 -5.530 1.00 0.00 H new ATOM 1714 N GLN B 18 16.366 -1.816 -3.378 1.00 0.00 N ATOM 1715 CA GLN B 18 15.520 -2.094 -2.222 1.00 0.00 C ATOM 1716 C GLN B 18 16.315 -1.961 -0.929 1.00 0.00 C ATOM 1717 O GLN B 18 15.753 -1.685 0.131 1.00 0.00 O ATOM 1718 CB GLN B 18 14.910 -3.495 -2.319 1.00 0.00 C ATOM 1719 CG GLN B 18 15.612 -4.405 -3.312 1.00 0.00 C ATOM 1720 CD GLN B 18 14.644 -5.112 -4.238 1.00 0.00 C ATOM 1721 OE1 GLN B 18 13.370 -4.746 -4.156 1.00 0.00 O flip ATOM 1722 NE2 GLN B 18 15.035 -5.980 -5.019 1.00 0.00 N flip ATOM 0 H GLN B 18 16.561 -2.626 -3.966 1.00 0.00 H new ATOM 0 HA GLN B 18 14.712 -1.362 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN B 18 14.935 -3.961 -1.334 1.00 0.00 H new ATOM 0 HB3 GLN B 18 13.861 -3.405 -2.602 1.00 0.00 H new ATOM 0 HG2 GLN B 18 16.313 -3.818 -3.905 1.00 0.00 H new ATOM 0 HG3 GLN B 18 16.197 -5.147 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN B 18 16.023 -6.231 -5.050 1.00 0.00 H new ATOM 0 HE22 GLN B 18 14.371 -6.448 -5.635 1.00 0.00 H new ATOM 1731 N GLN B 19 17.627 -2.149 -1.024 1.00 0.00 N ATOM 1732 CA GLN B 19 18.499 -2.039 0.137 1.00 0.00 C ATOM 1733 C GLN B 19 18.761 -0.576 0.454 1.00 0.00 C ATOM 1734 O GLN B 19 18.777 -0.172 1.618 1.00 0.00 O ATOM 1735 CB GLN B 19 19.818 -2.775 -0.113 1.00 0.00 C ATOM 1736 CG GLN B 19 20.855 -1.945 -0.854 1.00 0.00 C ATOM 1737 CD GLN B 19 22.262 -2.165 -0.331 1.00 0.00 C ATOM 1738 OE1 GLN B 19 23.074 -1.241 -0.291 1.00 0.00 O ATOM 1739 NE2 GLN B 19 22.556 -3.395 0.076 1.00 0.00 N ATOM 0 H GLN B 19 18.109 -2.378 -1.893 1.00 0.00 H new ATOM 0 HA GLN B 19 18.005 -2.501 0.992 1.00 0.00 H new ATOM 0 HB2 GLN B 19 20.235 -3.089 0.844 1.00 0.00 H new ATOM 0 HB3 GLN B 19 19.615 -3.680 -0.685 1.00 0.00 H new ATOM 0 HG2 GLN B 19 20.823 -2.193 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN B 19 20.600 -0.889 -0.766 1.00 0.00 H new ATOM 0 HE21 GLN B 19 21.852 -4.131 0.025 1.00 0.00 H new ATOM 0 HE22 GLN B 19 23.486 -3.603 0.440 1.00 0.00 H new ATOM 1748 N ASP B 20 18.949 0.218 -0.593 1.00 0.00 N ATOM 1749 CA ASP B 20 19.192 1.641 -0.431 1.00 0.00 C ATOM 1750 C ASP B 20 17.908 2.346 -0.019 1.00 0.00 C ATOM 1751 O ASP B 20 17.936 3.409 0.601 1.00 0.00 O ATOM 1752 CB ASP B 20 19.734 2.245 -1.728 1.00 0.00 C ATOM 1753 CG ASP B 20 21.215 2.560 -1.643 1.00 0.00 C ATOM 1754 OD1 ASP B 20 21.562 3.645 -1.131 1.00 0.00 O ATOM 1755 OD2 ASP B 20 22.026 1.722 -2.089 1.00 0.00 O ATOM 0 H ASP B 20 18.937 -0.102 -1.562 1.00 0.00 H new ATOM 0 HA ASP B 20 19.938 1.779 0.351 1.00 0.00 H new ATOM 0 HB2 ASP B 20 19.559 1.551 -2.550 1.00 0.00 H new ATOM 0 HB3 ASP B 20 19.184 3.157 -1.959 1.00 0.00 H new ATOM 1760 N SER B 21 16.778 1.733 -0.361 1.00 0.00 N ATOM 1761 CA SER B 21 15.474 2.285 -0.021 1.00 0.00 C ATOM 1762 C SER B 21 15.189 2.090 1.462 1.00 0.00 C ATOM 1763 O SER B 21 14.788 3.023 2.158 1.00 0.00 O ATOM 1764 CB SER B 21 14.380 1.621 -0.857 1.00 0.00 C ATOM 1765 OG SER B 21 13.198 1.434 -0.096 1.00 0.00 O ATOM 0 H SER B 21 16.741 0.852 -0.874 1.00 0.00 H new ATOM 0 HA SER B 21 15.482 3.353 -0.240 1.00 0.00 H new ATOM 0 HB2 SER B 21 14.161 2.237 -1.729 1.00 0.00 H new ATOM 0 HB3 SER B 21 14.734 0.659 -1.227 1.00 0.00 H new ATOM 0 HG SER B 21 13.298 0.643 0.474 1.00 0.00 H new ATOM 1771 N VAL B 22 15.409 0.870 1.944 1.00 0.00 N ATOM 1772 CA VAL B 22 15.187 0.555 3.347 1.00 0.00 C ATOM 1773 C VAL B 22 16.102 1.390 4.231 1.00 0.00 C ATOM 1774 O VAL B 22 15.694 1.875 5.286 1.00 0.00 O ATOM 1775 CB VAL B 22 15.424 -0.937 3.638 1.00 0.00 C ATOM 1776 CG1 VAL B 22 15.054 -1.267 5.077 1.00 0.00 C ATOM 1777 CG2 VAL B 22 14.636 -1.801 2.666 1.00 0.00 C ATOM 0 H VAL B 22 15.740 0.086 1.382 1.00 0.00 H new ATOM 0 HA VAL B 22 14.146 0.790 3.570 1.00 0.00 H new ATOM 0 HB VAL B 22 16.484 -1.151 3.502 1.00 0.00 H new ATOM 0 HG11 VAL B 22 15.228 -2.327 5.264 1.00 0.00 H new ATOM 0 HG12 VAL B 22 15.667 -0.673 5.755 1.00 0.00 H new ATOM 0 HG13 VAL B 22 14.002 -1.038 5.244 1.00 0.00 H new ATOM 0 HG21 VAL B 22 14.816 -2.853 2.887 1.00 0.00 H new ATOM 0 HG22 VAL B 22 13.572 -1.585 2.767 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.954 -1.585 1.646 1.00 0.00 H new ATOM 1787 N GLU B 23 17.342 1.564 3.784 1.00 0.00 N ATOM 1788 CA GLU B 23 18.314 2.352 4.526 1.00 0.00 C ATOM 1789 C GLU B 23 17.885 3.813 4.561 1.00 0.00 C ATOM 1790 O GLU B 23 18.025 4.488 5.581 1.00 0.00 O ATOM 1791 CB GLU B 23 19.698 2.218 3.892 1.00 0.00 C ATOM 1792 CG GLU B 23 20.232 0.795 3.912 1.00 0.00 C ATOM 1793 CD GLU B 23 21.509 0.638 3.111 1.00 0.00 C ATOM 1794 OE1 GLU B 23 22.229 1.644 2.940 1.00 0.00 O ATOM 1795 OE2 GLU B 23 21.788 -0.490 2.656 1.00 0.00 O ATOM 0 H GLU B 23 17.695 1.169 2.912 1.00 0.00 H new ATOM 0 HA GLU B 23 18.364 1.978 5.549 1.00 0.00 H new ATOM 0 HB2 GLU B 23 19.653 2.568 2.861 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.396 2.868 4.419 1.00 0.00 H new ATOM 0 HG2 GLU B 23 20.416 0.495 4.944 1.00 0.00 H new ATOM 0 HG3 GLU B 23 19.473 0.121 3.514 1.00 0.00 H new ATOM 1802 N CYS B 24 17.343 4.289 3.445 1.00 0.00 N ATOM 1803 CA CYS B 24 16.871 5.665 3.356 1.00 0.00 C ATOM 1804 C CYS B 24 15.659 5.852 4.260 1.00 0.00 C ATOM 1805 O CYS B 24 15.488 6.899 4.889 1.00 0.00 O ATOM 1806 CB CYS B 24 16.513 6.015 1.910 1.00 0.00 C ATOM 1807 SG CYS B 24 17.926 6.018 0.782 1.00 0.00 S ATOM 0 H CYS B 24 17.220 3.744 2.592 1.00 0.00 H new ATOM 0 HA CYS B 24 17.667 6.334 3.684 1.00 0.00 H new ATOM 0 HB2 CYS B 24 15.773 5.302 1.547 1.00 0.00 H new ATOM 0 HB3 CYS B 24 16.044 6.999 1.891 1.00 0.00 H new ATOM 0 HG CYS B 24 18.215 4.796 0.446 1.00 0.00 H new ATOM 1813 N ALA B 25 14.840 4.808 4.352 1.00 0.00 N ATOM 1814 CA ALA B 25 13.669 4.837 5.209 1.00 0.00 C ATOM 1815 C ALA B 25 14.143 4.830 6.645 1.00 0.00 C ATOM 1816 O ALA B 25 13.576 5.482 7.523 1.00 0.00 O ATOM 1817 CB ALA B 25 12.769 3.640 4.929 1.00 0.00 C ATOM 0 H ALA B 25 14.969 3.934 3.842 1.00 0.00 H new ATOM 0 HA ALA B 25 13.082 5.735 5.015 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.897 3.680 5.582 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.445 3.664 3.888 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.320 2.719 5.116 1.00 0.00 H new ATOM 1823 N THR B 26 15.228 4.098 6.854 1.00 0.00 N ATOM 1824 CA THR B 26 15.850 3.996 8.154 1.00 0.00 C ATOM 1825 C THR B 26 16.394 5.355 8.565 1.00 0.00 C ATOM 1826 O THR B 26 16.244 5.777 9.711 1.00 0.00 O ATOM 1827 CB THR B 26 16.974 2.968 8.106 1.00 0.00 C ATOM 1828 OG1 THR B 26 16.481 1.704 7.696 1.00 0.00 O ATOM 1829 CG2 THR B 26 17.664 2.782 9.432 1.00 0.00 C ATOM 0 H THR B 26 15.697 3.561 6.124 1.00 0.00 H new ATOM 0 HA THR B 26 15.112 3.674 8.888 1.00 0.00 H new ATOM 0 HB THR B 26 17.696 3.360 7.390 1.00 0.00 H new ATOM 0 HG1 THR B 26 16.187 1.755 6.762 1.00 0.00 H new ATOM 0 HG21 THR B 26 18.454 2.037 9.330 1.00 0.00 H new ATOM 0 HG22 THR B 26 18.098 3.729 9.753 1.00 0.00 H new ATOM 0 HG23 THR B 26 16.941 2.444 10.174 1.00 0.00 H new ATOM 1837 N GLN B 27 17.011 6.048 7.609 1.00 0.00 N ATOM 1838 CA GLN B 27 17.559 7.373 7.862 1.00 0.00 C ATOM 1839 C GLN B 27 16.475 8.272 8.434 1.00 0.00 C ATOM 1840 O GLN B 27 16.679 8.964 9.431 1.00 0.00 O ATOM 1841 CB GLN B 27 18.116 7.983 6.573 1.00 0.00 C ATOM 1842 CG GLN B 27 19.524 7.523 6.241 1.00 0.00 C ATOM 1843 CD GLN B 27 19.995 8.017 4.887 1.00 0.00 C ATOM 1844 OE1 GLN B 27 20.306 7.226 3.998 1.00 0.00 O ATOM 1845 NE2 GLN B 27 20.050 9.334 4.724 1.00 0.00 N ATOM 0 H GLN B 27 17.142 5.712 6.655 1.00 0.00 H new ATOM 0 HA GLN B 27 18.374 7.283 8.580 1.00 0.00 H new ATOM 0 HB2 GLN B 27 17.455 7.728 5.745 1.00 0.00 H new ATOM 0 HB3 GLN B 27 18.109 9.069 6.663 1.00 0.00 H new ATOM 0 HG2 GLN B 27 20.209 7.877 7.011 1.00 0.00 H new ATOM 0 HG3 GLN B 27 19.560 6.434 6.259 1.00 0.00 H new ATOM 0 HE21 GLN B 27 19.783 9.954 5.488 1.00 0.00 H new ATOM 0 HE22 GLN B 27 20.360 9.725 3.834 1.00 0.00 H new ATOM 1854 N ALA B 28 15.309 8.235 7.797 1.00 0.00 N ATOM 1855 CA ALA B 28 14.169 9.027 8.239 1.00 0.00 C ATOM 1856 C ALA B 28 13.565 8.421 9.502 1.00 0.00 C ATOM 1857 O ALA B 28 12.806 9.069 10.221 1.00 0.00 O ATOM 1858 CB ALA B 28 13.129 9.114 7.133 1.00 0.00 C ATOM 0 H ALA B 28 15.130 7.663 6.971 1.00 0.00 H new ATOM 0 HA ALA B 28 14.509 10.036 8.471 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.282 9.708 7.476 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.571 9.584 6.254 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.788 8.112 6.875 1.00 0.00 H new ATOM 1864 N LEU B 29 13.912 7.166 9.765 1.00 0.00 N ATOM 1865 CA LEU B 29 13.415 6.460 10.939 1.00 0.00 C ATOM 1866 C LEU B 29 14.208 6.841 12.186 1.00 0.00 C ATOM 1867 O LEU B 29 13.642 7.030 13.262 1.00 0.00 O ATOM 1868 CB LEU B 29 13.494 4.956 10.720 1.00 0.00 C ATOM 1869 CG LEU B 29 12.386 4.385 9.843 1.00 0.00 C ATOM 1870 CD1 LEU B 29 12.934 3.296 8.946 1.00 0.00 C ATOM 1871 CD2 LEU B 29 11.246 3.854 10.700 1.00 0.00 C ATOM 0 H LEU B 29 14.538 6.615 9.178 1.00 0.00 H new ATOM 0 HA LEU B 29 12.375 6.750 11.090 1.00 0.00 H new ATOM 0 HB2 LEU B 29 14.457 4.718 10.268 1.00 0.00 H new ATOM 0 HB3 LEU B 29 13.465 4.459 11.689 1.00 0.00 H new ATOM 0 HG LEU B 29 11.994 5.184 9.214 1.00 0.00 H new ATOM 0 HD11 LEU B 29 12.131 2.898 8.325 1.00 0.00 H new ATOM 0 HD12 LEU B 29 13.715 3.709 8.308 1.00 0.00 H new ATOM 0 HD13 LEU B 29 13.351 2.496 9.558 1.00 0.00 H new ATOM 0 HD21 LEU B 29 10.464 3.450 10.056 1.00 0.00 H new ATOM 0 HD22 LEU B 29 11.619 3.067 11.355 1.00 0.00 H new ATOM 0 HD23 LEU B 29 10.837 4.664 11.304 1.00 0.00 H new ATOM 1883 N GLU B 30 15.523 6.949 12.029 1.00 0.00 N ATOM 1884 CA GLU B 30 16.402 7.301 13.138 1.00 0.00 C ATOM 1885 C GLU B 30 16.360 8.801 13.407 1.00 0.00 C ATOM 1886 O GLU B 30 16.536 9.245 14.543 1.00 0.00 O ATOM 1887 CB GLU B 30 17.836 6.864 12.832 1.00 0.00 C ATOM 1888 CG GLU B 30 18.145 5.442 13.274 1.00 0.00 C ATOM 1889 CD GLU B 30 18.777 5.384 14.649 1.00 0.00 C ATOM 1890 OE1 GLU B 30 19.116 6.456 15.194 1.00 0.00 O ATOM 1891 OE2 GLU B 30 18.934 4.265 15.184 1.00 0.00 O ATOM 0 H GLU B 30 16.004 6.797 11.143 1.00 0.00 H new ATOM 0 HA GLU B 30 16.053 6.781 14.030 1.00 0.00 H new ATOM 0 HB2 GLU B 30 18.012 6.949 11.760 1.00 0.00 H new ATOM 0 HB3 GLU B 30 18.528 7.547 13.324 1.00 0.00 H new ATOM 0 HG2 GLU B 30 17.225 4.858 13.276 1.00 0.00 H new ATOM 0 HG3 GLU B 30 18.815 4.978 12.550 1.00 0.00 H new ATOM 1898 N LYS B 31 16.122 9.578 12.357 1.00 0.00 N ATOM 1899 CA LYS B 31 16.052 11.029 12.480 1.00 0.00 C ATOM 1900 C LYS B 31 14.655 11.465 12.913 1.00 0.00 C ATOM 1901 O LYS B 31 14.466 12.571 13.419 1.00 0.00 O ATOM 1902 CB LYS B 31 16.426 11.694 11.153 1.00 0.00 C ATOM 1903 CG LYS B 31 17.822 11.335 10.666 1.00 0.00 C ATOM 1904 CD LYS B 31 18.885 11.729 11.679 1.00 0.00 C ATOM 1905 CE LYS B 31 20.278 11.696 11.070 1.00 0.00 C ATOM 1906 NZ LYS B 31 20.930 13.034 11.099 1.00 0.00 N ATOM 0 H LYS B 31 15.974 9.227 11.411 1.00 0.00 H new ATOM 0 HA LYS B 31 16.764 11.343 13.243 1.00 0.00 H new ATOM 0 HB2 LYS B 31 15.699 11.405 10.394 1.00 0.00 H new ATOM 0 HB3 LYS B 31 16.356 12.776 11.266 1.00 0.00 H new ATOM 0 HG2 LYS B 31 17.878 10.263 10.477 1.00 0.00 H new ATOM 0 HG3 LYS B 31 18.018 11.836 9.718 1.00 0.00 H new ATOM 0 HD2 LYS B 31 18.676 12.730 12.056 1.00 0.00 H new ATOM 0 HD3 LYS B 31 18.844 11.052 12.532 1.00 0.00 H new ATOM 0 HE2 LYS B 31 20.895 10.980 11.614 1.00 0.00 H new ATOM 0 HE3 LYS B 31 20.215 11.345 10.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 21.877 12.968 10.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 20.355 13.712 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 21.014 13.358 12.084 1.00 0.00 H new ATOM 1920 N TYR B 32 13.682 10.581 12.715 1.00 0.00 N ATOM 1921 CA TYR B 32 12.301 10.863 13.088 1.00 0.00 C ATOM 1922 C TYR B 32 11.512 9.570 13.262 1.00 0.00 C ATOM 1923 O TYR B 32 11.796 8.565 12.610 1.00 0.00 O ATOM 1924 CB TYR B 32 11.625 11.743 12.033 1.00 0.00 C ATOM 1925 CG TYR B 32 12.595 12.471 11.130 1.00 0.00 C ATOM 1926 CD1 TYR B 32 13.234 11.811 10.089 1.00 0.00 C ATOM 1927 CD2 TYR B 32 12.866 13.820 11.314 1.00 0.00 C ATOM 1928 CE1 TYR B 32 14.115 12.472 9.256 1.00 0.00 C ATOM 1929 CE2 TYR B 32 13.745 14.490 10.485 1.00 0.00 C ATOM 1930 CZ TYR B 32 14.367 13.813 9.458 1.00 0.00 C ATOM 1931 OH TYR B 32 15.243 14.478 8.631 1.00 0.00 O ATOM 0 H TYR B 32 13.825 9.662 12.297 1.00 0.00 H new ATOM 0 HA TYR B 32 12.315 11.397 14.038 1.00 0.00 H new ATOM 0 HB2 TYR B 32 10.970 11.122 11.421 1.00 0.00 H new ATOM 0 HB3 TYR B 32 10.992 12.475 12.535 1.00 0.00 H new ATOM 0 HD1 TYR B 32 13.038 10.761 9.928 1.00 0.00 H new ATOM 0 HD2 TYR B 32 12.382 14.354 12.118 1.00 0.00 H new ATOM 0 HE1 TYR B 32 14.604 11.942 8.452 1.00 0.00 H new ATOM 0 HE2 TYR B 32 13.944 15.540 10.641 1.00 0.00 H new ATOM 0 HH TYR B 32 15.307 15.416 8.909 1.00 0.00 H new ATOM 1941 N ASN B 33 10.519 9.601 14.144 1.00 0.00 N ATOM 1942 CA ASN B 33 9.688 8.431 14.403 1.00 0.00 C ATOM 1943 C ASN B 33 8.238 8.706 14.025 1.00 0.00 C ATOM 1944 O ASN B 33 7.315 8.114 14.583 1.00 0.00 O ATOM 1945 CB ASN B 33 9.780 8.030 15.875 1.00 0.00 C ATOM 1946 CG ASN B 33 10.055 9.214 16.780 1.00 0.00 C ATOM 1947 OD1 ASN B 33 9.166 10.017 17.059 1.00 0.00 O ATOM 1948 ND2 ASN B 33 11.295 9.330 17.242 1.00 0.00 N ATOM 0 H ASN B 33 10.270 10.424 14.692 1.00 0.00 H new ATOM 0 HA ASN B 33 10.055 7.608 13.789 1.00 0.00 H new ATOM 0 HB2 ASN B 33 8.848 7.553 16.178 1.00 0.00 H new ATOM 0 HB3 ASN B 33 10.571 7.290 15.999 1.00 0.00 H new ATOM 0 HD21 ASN B 33 11.541 10.108 17.854 1.00 0.00 H new ATOM 0 HD22 ASN B 33 12.002 8.641 16.985 1.00 0.00 H new ATOM 1955 N ILE B 34 8.050 9.609 13.071 1.00 0.00 N ATOM 1956 CA ILE B 34 6.717 9.971 12.609 1.00 0.00 C ATOM 1957 C ILE B 34 6.458 9.423 11.210 1.00 0.00 C ATOM 1958 O ILE B 34 6.999 9.928 10.227 1.00 0.00 O ATOM 1959 CB ILE B 34 6.527 11.500 12.592 1.00 0.00 C ATOM 1960 CG1 ILE B 34 7.358 12.152 13.696 1.00 0.00 C ATOM 1961 CG2 ILE B 34 5.056 11.855 12.747 1.00 0.00 C ATOM 1962 CD1 ILE B 34 6.857 11.843 15.086 1.00 0.00 C ATOM 0 H ILE B 34 8.807 10.105 12.601 1.00 0.00 H new ATOM 0 HA ILE B 34 6.006 9.531 13.308 1.00 0.00 H new ATOM 0 HB ILE B 34 6.872 11.882 11.631 1.00 0.00 H new ATOM 0 HG12 ILE B 34 8.392 11.818 13.608 1.00 0.00 H new ATOM 0 HG13 ILE B 34 7.359 13.232 13.550 1.00 0.00 H new ATOM 0 HG21 ILE B 34 4.940 12.939 12.733 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.488 11.418 11.926 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.685 11.463 13.694 1.00 0.00 H new ATOM 0 HD11 ILE B 34 7.493 12.337 15.820 1.00 0.00 H new ATOM 0 HD12 ILE B 34 5.833 12.202 15.192 1.00 0.00 H new ATOM 0 HD13 ILE B 34 6.882 10.766 15.251 1.00 0.00 H new ATOM 1974 N GLU B 35 5.630 8.384 11.128 1.00 0.00 N ATOM 1975 CA GLU B 35 5.303 7.764 9.847 1.00 0.00 C ATOM 1976 C GLU B 35 5.355 8.786 8.717 1.00 0.00 C ATOM 1977 O GLU B 35 6.256 8.754 7.879 1.00 0.00 O ATOM 1978 CB GLU B 35 3.914 7.125 9.906 1.00 0.00 C ATOM 1979 CG GLU B 35 3.788 6.033 10.955 1.00 0.00 C ATOM 1980 CD GLU B 35 3.258 6.554 12.276 1.00 0.00 C ATOM 1981 OE1 GLU B 35 2.755 7.696 12.304 1.00 0.00 O ATOM 1982 OE2 GLU B 35 3.345 5.819 13.282 1.00 0.00 O ATOM 0 H GLU B 35 5.174 7.954 11.933 1.00 0.00 H new ATOM 0 HA GLU B 35 6.045 6.991 9.648 1.00 0.00 H new ATOM 0 HB2 GLU B 35 3.176 7.900 10.111 1.00 0.00 H new ATOM 0 HB3 GLU B 35 3.674 6.707 8.928 1.00 0.00 H new ATOM 0 HG2 GLU B 35 3.124 5.252 10.584 1.00 0.00 H new ATOM 0 HG3 GLU B 35 4.763 5.573 11.115 1.00 0.00 H new ATOM 1989 N LYS B 36 4.388 9.696 8.702 1.00 0.00 N ATOM 1990 CA LYS B 36 4.328 10.731 7.676 1.00 0.00 C ATOM 1991 C LYS B 36 5.692 11.388 7.493 1.00 0.00 C ATOM 1992 O LYS B 36 6.271 11.344 6.409 1.00 0.00 O ATOM 1993 CB LYS B 36 3.283 11.788 8.043 1.00 0.00 C ATOM 1994 CG LYS B 36 2.357 11.363 9.170 1.00 0.00 C ATOM 1995 CD LYS B 36 0.910 11.307 8.710 1.00 0.00 C ATOM 1996 CE LYS B 36 0.122 10.263 9.483 1.00 0.00 C ATOM 1997 NZ LYS B 36 -0.838 10.886 10.434 1.00 0.00 N ATOM 0 H LYS B 36 3.635 9.738 9.388 1.00 0.00 H new ATOM 0 HA LYS B 36 4.039 10.261 6.736 1.00 0.00 H new ATOM 0 HB2 LYS B 36 3.794 12.707 8.331 1.00 0.00 H new ATOM 0 HB3 LYS B 36 2.686 12.018 7.161 1.00 0.00 H new ATOM 0 HG2 LYS B 36 2.660 10.384 9.542 1.00 0.00 H new ATOM 0 HG3 LYS B 36 2.449 12.062 10.001 1.00 0.00 H new ATOM 0 HD2 LYS B 36 0.447 12.285 8.841 1.00 0.00 H new ATOM 0 HD3 LYS B 36 0.874 11.077 7.645 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -0.420 9.626 8.784 1.00 0.00 H new ATOM 0 HE3 LYS B 36 0.811 9.620 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -1.356 10.141 10.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -0.318 11.474 11.117 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -1.511 11.479 9.909 1.00 0.00 H new ATOM 2011 N ASP B 37 6.203 11.992 8.562 1.00 0.00 N ATOM 2012 CA ASP B 37 7.504 12.651 8.514 1.00 0.00 C ATOM 2013 C ASP B 37 8.520 11.777 7.788 1.00 0.00 C ATOM 2014 O ASP B 37 9.007 12.131 6.716 1.00 0.00 O ATOM 2015 CB ASP B 37 7.995 12.960 9.930 1.00 0.00 C ATOM 2016 CG ASP B 37 8.044 14.448 10.214 1.00 0.00 C ATOM 2017 OD1 ASP B 37 6.973 15.091 10.197 1.00 0.00 O ATOM 2018 OD2 ASP B 37 9.153 14.971 10.450 1.00 0.00 O ATOM 0 H ASP B 37 5.738 12.039 9.469 1.00 0.00 H new ATOM 0 HA ASP B 37 7.395 13.587 7.966 1.00 0.00 H new ATOM 0 HB2 ASP B 37 7.338 12.477 10.653 1.00 0.00 H new ATOM 0 HB3 ASP B 37 8.989 12.534 10.068 1.00 0.00 H new ATOM 2023 N ILE B 38 8.831 10.630 8.380 1.00 0.00 N ATOM 2024 CA ILE B 38 9.787 9.699 7.795 1.00 0.00 C ATOM 2025 C ILE B 38 9.511 9.480 6.311 1.00 0.00 C ATOM 2026 O ILE B 38 10.428 9.485 5.492 1.00 0.00 O ATOM 2027 CB ILE B 38 9.751 8.338 8.517 1.00 0.00 C ATOM 2028 CG1 ILE B 38 9.838 8.537 10.031 1.00 0.00 C ATOM 2029 CG2 ILE B 38 10.879 7.444 8.028 1.00 0.00 C ATOM 2030 CD1 ILE B 38 9.187 7.427 10.825 1.00 0.00 C ATOM 0 H ILE B 38 8.433 10.322 9.267 1.00 0.00 H new ATOM 0 HA ILE B 38 10.775 10.144 7.913 1.00 0.00 H new ATOM 0 HB ILE B 38 8.805 7.849 8.287 1.00 0.00 H new ATOM 0 HG12 ILE B 38 10.886 8.612 10.320 1.00 0.00 H new ATOM 0 HG13 ILE B 38 9.366 9.484 10.292 1.00 0.00 H new ATOM 0 HG21 ILE B 38 10.837 6.488 8.549 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.773 7.278 6.956 1.00 0.00 H new ATOM 0 HG23 ILE B 38 11.837 7.925 8.228 1.00 0.00 H new ATOM 0 HD11 ILE B 38 9.287 7.635 11.890 1.00 0.00 H new ATOM 0 HD12 ILE B 38 8.130 7.365 10.565 1.00 0.00 H new ATOM 0 HD13 ILE B 38 9.674 6.480 10.593 1.00 0.00 H new ATOM 2042 N ALA B 39 8.241 9.281 5.975 1.00 0.00 N ATOM 2043 CA ALA B 39 7.844 9.053 4.590 1.00 0.00 C ATOM 2044 C ALA B 39 8.178 10.253 3.711 1.00 0.00 C ATOM 2045 O ALA B 39 8.683 10.099 2.600 1.00 0.00 O ATOM 2046 CB ALA B 39 6.358 8.738 4.514 1.00 0.00 C ATOM 0 H ALA B 39 7.469 9.273 6.642 1.00 0.00 H new ATOM 0 HA ALA B 39 8.408 8.199 4.215 1.00 0.00 H new ATOM 0 HB1 ALA B 39 6.074 8.570 3.475 1.00 0.00 H new ATOM 0 HB2 ALA B 39 6.146 7.842 5.098 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.788 9.576 4.915 1.00 0.00 H new ATOM 2052 N ALA B 40 7.891 11.449 4.214 1.00 0.00 N ATOM 2053 CA ALA B 40 8.159 12.674 3.470 1.00 0.00 C ATOM 2054 C ALA B 40 9.647 12.818 3.171 1.00 0.00 C ATOM 2055 O ALA B 40 10.064 12.789 2.013 1.00 0.00 O ATOM 2056 CB ALA B 40 7.656 13.882 4.245 1.00 0.00 C ATOM 0 H ALA B 40 7.473 11.596 5.133 1.00 0.00 H new ATOM 0 HA ALA B 40 7.627 12.618 2.520 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.863 14.790 3.678 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.582 13.790 4.405 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.163 13.933 5.209 1.00 0.00 H new ATOM 2062 N HIS B 41 10.444 12.970 4.224 1.00 0.00 N ATOM 2063 CA HIS B 41 11.888 13.116 4.077 1.00 0.00 C ATOM 2064 C HIS B 41 12.424 12.139 3.036 1.00 0.00 C ATOM 2065 O HIS B 41 13.065 12.538 2.066 1.00 0.00 O ATOM 2066 CB HIS B 41 12.590 12.881 5.417 1.00 0.00 C ATOM 2067 CG HIS B 41 11.736 13.193 6.607 1.00 0.00 C ATOM 2068 ND1 HIS B 41 11.854 12.538 7.815 1.00 0.00 N ATOM 2069 CD2 HIS B 41 10.746 14.101 6.770 1.00 0.00 C ATOM 2070 CE1 HIS B 41 10.971 13.031 8.668 1.00 0.00 C ATOM 2071 NE2 HIS B 41 10.288 13.980 8.058 1.00 0.00 N ATOM 0 H HIS B 41 10.114 12.995 5.189 1.00 0.00 H new ATOM 0 HA HIS B 41 12.093 14.133 3.743 1.00 0.00 H new ATOM 0 HB2 HIS B 41 12.909 11.840 5.472 1.00 0.00 H new ATOM 0 HB3 HIS B 41 13.491 13.493 5.457 1.00 0.00 H new ATOM 0 HD1 HIS B 41 12.518 11.791 8.019 1.00 0.00 H new ATOM 0 HD2 HIS B 41 10.383 14.793 6.024 1.00 0.00 H new ATOM 0 HE1 HIS B 41 10.833 12.711 9.690 1.00 0.00 H new ATOM 2080 N ILE B 42 12.153 10.857 3.250 1.00 0.00 N ATOM 2081 CA ILE B 42 12.603 9.817 2.335 1.00 0.00 C ATOM 2082 C ILE B 42 12.312 10.196 0.887 1.00 0.00 C ATOM 2083 O ILE B 42 13.227 10.450 0.106 1.00 0.00 O ATOM 2084 CB ILE B 42 11.933 8.466 2.650 1.00 0.00 C ATOM 2085 CG1 ILE B 42 12.370 7.967 4.029 1.00 0.00 C ATOM 2086 CG2 ILE B 42 12.271 7.442 1.578 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.414 6.969 4.644 1.00 0.00 C ATOM 0 H ILE B 42 11.623 10.513 4.051 1.00 0.00 H new ATOM 0 HA ILE B 42 13.680 9.718 2.470 1.00 0.00 H new ATOM 0 HB ILE B 42 10.852 8.607 2.660 1.00 0.00 H new ATOM 0 HG12 ILE B 42 13.355 7.509 3.945 1.00 0.00 H new ATOM 0 HG13 ILE B 42 12.472 8.820 4.699 1.00 0.00 H new ATOM 0 HG21 ILE B 42 11.790 6.493 1.816 1.00 0.00 H new ATOM 0 HG22 ILE B 42 11.915 7.797 0.611 1.00 0.00 H new ATOM 0 HG23 ILE B 42 13.351 7.301 1.537 1.00 0.00 H new ATOM 0 HD11 ILE B 42 11.789 6.660 5.620 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.433 7.429 4.761 1.00 0.00 H new ATOM 0 HD13 ILE B 42 11.331 6.097 3.995 1.00 0.00 H new ATOM 2099 N LYS B 43 11.030 10.232 0.537 1.00 0.00 N ATOM 2100 CA LYS B 43 10.614 10.580 -0.818 1.00 0.00 C ATOM 2101 C LYS B 43 11.515 11.660 -1.414 1.00 0.00 C ATOM 2102 O LYS B 43 12.111 11.470 -2.474 1.00 0.00 O ATOM 2103 CB LYS B 43 9.161 11.058 -0.815 1.00 0.00 C ATOM 2104 CG LYS B 43 8.698 11.609 -2.152 1.00 0.00 C ATOM 2105 CD LYS B 43 8.993 13.095 -2.276 1.00 0.00 C ATOM 2106 CE LYS B 43 7.832 13.839 -2.913 1.00 0.00 C ATOM 2107 NZ LYS B 43 7.091 12.984 -3.882 1.00 0.00 N ATOM 0 H LYS B 43 10.260 10.024 1.173 1.00 0.00 H new ATOM 0 HA LYS B 43 10.700 9.686 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS B 43 8.515 10.227 -0.531 1.00 0.00 H new ATOM 0 HB3 LYS B 43 9.043 11.829 -0.054 1.00 0.00 H new ATOM 0 HG2 LYS B 43 9.193 11.070 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS B 43 7.627 11.439 -2.265 1.00 0.00 H new ATOM 0 HD2 LYS B 43 9.196 13.511 -1.289 1.00 0.00 H new ATOM 0 HD3 LYS B 43 9.892 13.240 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS B 43 7.150 14.182 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS B 43 8.206 14.727 -3.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 6.572 13.588 -4.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 7.764 12.387 -4.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 6.418 12.380 -3.368 1.00 0.00 H new ATOM 2121 N LYS B 44 11.602 12.796 -0.729 1.00 0.00 N ATOM 2122 CA LYS B 44 12.421 13.914 -1.189 1.00 0.00 C ATOM 2123 C LYS B 44 13.851 13.473 -1.487 1.00 0.00 C ATOM 2124 O LYS B 44 14.458 13.923 -2.460 1.00 0.00 O ATOM 2125 CB LYS B 44 12.425 15.028 -0.141 1.00 0.00 C ATOM 2126 CG LYS B 44 11.075 15.704 0.031 1.00 0.00 C ATOM 2127 CD LYS B 44 10.969 16.408 1.374 1.00 0.00 C ATOM 2128 CE LYS B 44 9.873 17.462 1.363 1.00 0.00 C ATOM 2129 NZ LYS B 44 9.948 18.354 2.552 1.00 0.00 N ATOM 0 H LYS B 44 11.114 12.968 0.150 1.00 0.00 H new ATOM 0 HA LYS B 44 11.985 14.289 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS B 44 12.739 14.614 0.817 1.00 0.00 H new ATOM 0 HB3 LYS B 44 13.165 15.778 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS B 44 10.924 16.426 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS B 44 10.282 14.961 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS B 44 10.764 15.676 2.155 1.00 0.00 H new ATOM 0 HD3 LYS B 44 11.923 16.875 1.618 1.00 0.00 H new ATOM 0 HE2 LYS B 44 9.954 18.060 0.455 1.00 0.00 H new ATOM 0 HE3 LYS B 44 8.899 16.973 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 9.184 19.058 2.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 9.846 17.787 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 10.867 18.841 2.563 1.00 0.00 H new ATOM 2143 N GLU B 45 14.385 12.599 -0.645 1.00 0.00 N ATOM 2144 CA GLU B 45 15.748 12.108 -0.819 1.00 0.00 C ATOM 2145 C GLU B 45 15.836 11.125 -1.983 1.00 0.00 C ATOM 2146 O GLU B 45 16.780 11.168 -2.771 1.00 0.00 O ATOM 2147 CB GLU B 45 16.243 11.443 0.467 1.00 0.00 C ATOM 2148 CG GLU B 45 17.663 11.834 0.846 1.00 0.00 C ATOM 2149 CD GLU B 45 18.591 10.639 0.936 1.00 0.00 C ATOM 2150 OE1 GLU B 45 18.550 9.785 0.026 1.00 0.00 O ATOM 2151 OE2 GLU B 45 19.361 10.558 1.916 1.00 0.00 O ATOM 0 H GLU B 45 13.897 12.215 0.164 1.00 0.00 H new ATOM 0 HA GLU B 45 16.385 12.963 -1.046 1.00 0.00 H new ATOM 0 HB2 GLU B 45 15.572 11.707 1.284 1.00 0.00 H new ATOM 0 HB3 GLU B 45 16.192 10.361 0.349 1.00 0.00 H new ATOM 0 HG2 GLU B 45 18.052 12.537 0.109 1.00 0.00 H new ATOM 0 HG3 GLU B 45 17.650 12.352 1.805 1.00 0.00 H new ATOM 2158 N PHE B 46 14.849 10.241 -2.087 1.00 0.00 N ATOM 2159 CA PHE B 46 14.822 9.251 -3.158 1.00 0.00 C ATOM 2160 C PHE B 46 14.673 9.928 -4.515 1.00 0.00 C ATOM 2161 O PHE B 46 15.264 9.497 -5.505 1.00 0.00 O ATOM 2162 CB PHE B 46 13.678 8.261 -2.940 1.00 0.00 C ATOM 2163 CG PHE B 46 14.143 6.860 -2.666 1.00 0.00 C ATOM 2164 CD1 PHE B 46 14.497 6.018 -3.708 1.00 0.00 C ATOM 2165 CD2 PHE B 46 14.228 6.387 -1.368 1.00 0.00 C ATOM 2166 CE1 PHE B 46 14.928 4.729 -3.458 1.00 0.00 C ATOM 2167 CE2 PHE B 46 14.659 5.100 -1.112 1.00 0.00 C ATOM 2168 CZ PHE B 46 15.009 4.269 -2.158 1.00 0.00 C ATOM 0 H PHE B 46 14.059 10.190 -1.444 1.00 0.00 H new ATOM 0 HA PHE B 46 15.767 8.708 -3.142 1.00 0.00 H new ATOM 0 HB2 PHE B 46 13.067 8.602 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE B 46 13.038 8.257 -3.822 1.00 0.00 H new ATOM 0 HD1 PHE B 46 14.435 6.373 -4.726 1.00 0.00 H new ATOM 0 HD2 PHE B 46 13.954 7.032 -0.546 1.00 0.00 H new ATOM 0 HE1 PHE B 46 15.201 4.082 -4.278 1.00 0.00 H new ATOM 0 HE2 PHE B 46 14.722 4.744 -0.094 1.00 0.00 H new ATOM 0 HZ PHE B 46 15.345 3.262 -1.960 1.00 0.00 H new ATOM 2178 N ASP B 47 13.879 10.992 -4.554 1.00 0.00 N ATOM 2179 CA ASP B 47 13.650 11.730 -5.789 1.00 0.00 C ATOM 2180 C ASP B 47 14.917 12.456 -6.232 1.00 0.00 C ATOM 2181 O ASP B 47 15.294 12.407 -7.402 1.00 0.00 O ATOM 2182 CB ASP B 47 12.509 12.732 -5.608 1.00 0.00 C ATOM 2183 CG ASP B 47 11.262 12.090 -5.032 1.00 0.00 C ATOM 2184 OD1 ASP B 47 11.238 10.847 -4.909 1.00 0.00 O ATOM 2185 OD2 ASP B 47 10.310 12.830 -4.705 1.00 0.00 O ATOM 0 H ASP B 47 13.383 11.363 -3.743 1.00 0.00 H new ATOM 0 HA ASP B 47 13.373 11.015 -6.563 1.00 0.00 H new ATOM 0 HB2 ASP B 47 12.837 13.537 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP B 47 12.270 13.184 -6.571 1.00 0.00 H new ATOM 2190 N LYS B 48 15.571 13.130 -5.291 1.00 0.00 N ATOM 2191 CA LYS B 48 16.793 13.867 -5.597 1.00 0.00 C ATOM 2192 C LYS B 48 17.993 12.928 -5.679 1.00 0.00 C ATOM 2193 O LYS B 48 18.984 13.230 -6.345 1.00 0.00 O ATOM 2194 CB LYS B 48 17.046 14.942 -4.538 1.00 0.00 C ATOM 2195 CG LYS B 48 16.326 16.252 -4.816 1.00 0.00 C ATOM 2196 CD LYS B 48 16.907 16.959 -6.030 1.00 0.00 C ATOM 2197 CE LYS B 48 18.376 17.295 -5.833 1.00 0.00 C ATOM 2198 NZ LYS B 48 18.986 17.863 -7.067 1.00 0.00 N ATOM 0 H LYS B 48 15.278 13.181 -4.315 1.00 0.00 H new ATOM 0 HA LYS B 48 16.662 14.345 -6.568 1.00 0.00 H new ATOM 0 HB2 LYS B 48 16.731 14.563 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS B 48 18.117 15.132 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS B 48 15.266 16.058 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS B 48 16.401 16.902 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS B 48 16.793 16.325 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS B 48 16.347 17.874 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS B 48 18.479 18.009 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS B 48 18.918 16.396 -5.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 19.988 18.079 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 18.911 17.172 -7.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 18.485 18.735 -7.332 1.00 0.00 H new ATOM 2212 N LYS B 49 17.900 11.792 -4.997 1.00 0.00 N ATOM 2213 CA LYS B 49 18.981 10.814 -4.994 1.00 0.00 C ATOM 2214 C LYS B 49 18.815 9.806 -6.128 1.00 0.00 C ATOM 2215 O LYS B 49 19.732 9.043 -6.430 1.00 0.00 O ATOM 2216 CB LYS B 49 19.033 10.083 -3.651 1.00 0.00 C ATOM 2217 CG LYS B 49 20.414 9.552 -3.303 1.00 0.00 C ATOM 2218 CD LYS B 49 20.342 8.443 -2.265 1.00 0.00 C ATOM 2219 CE LYS B 49 21.217 7.262 -2.652 1.00 0.00 C ATOM 2220 NZ LYS B 49 20.938 6.790 -4.036 1.00 0.00 N ATOM 0 H LYS B 49 17.088 11.526 -4.440 1.00 0.00 H new ATOM 0 HA LYS B 49 19.918 11.350 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS B 49 18.704 10.762 -2.864 1.00 0.00 H new ATOM 0 HB3 LYS B 49 18.327 9.252 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS B 49 20.898 9.176 -4.205 1.00 0.00 H new ATOM 0 HG3 LYS B 49 21.033 10.366 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS B 49 20.658 8.829 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS B 49 19.309 8.112 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS B 49 22.266 7.546 -2.571 1.00 0.00 H new ATOM 0 HE3 LYS B 49 21.053 6.444 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 21.400 5.871 -4.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 19.911 6.688 -4.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 21.307 7.481 -4.720 1.00 0.00 H new ATOM 2234 N TYR B 50 17.639 9.803 -6.750 1.00 0.00 N ATOM 2235 CA TYR B 50 17.363 8.881 -7.844 1.00 0.00 C ATOM 2236 C TYR B 50 16.715 9.599 -9.026 1.00 0.00 C ATOM 2237 O TYR B 50 17.348 9.786 -10.067 1.00 0.00 O ATOM 2238 CB TYR B 50 16.458 7.746 -7.362 1.00 0.00 C ATOM 2239 CG TYR B 50 17.054 6.938 -6.229 1.00 0.00 C ATOM 2240 CD1 TYR B 50 16.867 7.318 -4.905 1.00 0.00 C ATOM 2241 CD2 TYR B 50 17.803 5.796 -6.483 1.00 0.00 C ATOM 2242 CE1 TYR B 50 17.412 6.584 -3.869 1.00 0.00 C ATOM 2243 CE2 TYR B 50 18.350 5.056 -5.452 1.00 0.00 C ATOM 2244 CZ TYR B 50 18.151 5.454 -4.147 1.00 0.00 C ATOM 2245 OH TYR B 50 18.695 4.721 -3.118 1.00 0.00 O ATOM 0 H TYR B 50 16.866 10.426 -6.515 1.00 0.00 H new ATOM 0 HA TYR B 50 18.313 8.466 -8.180 1.00 0.00 H new ATOM 0 HB2 TYR B 50 15.505 8.165 -7.037 1.00 0.00 H new ATOM 0 HB3 TYR B 50 16.245 7.081 -8.199 1.00 0.00 H new ATOM 0 HD1 TYR B 50 16.286 8.201 -4.683 1.00 0.00 H new ATOM 0 HD2 TYR B 50 17.961 5.481 -7.504 1.00 0.00 H new ATOM 0 HE1 TYR B 50 17.260 6.894 -2.846 1.00 0.00 H new ATOM 0 HE2 TYR B 50 18.930 4.171 -5.667 1.00 0.00 H new ATOM 0 HH TYR B 50 18.173 4.866 -2.301 1.00 0.00 H new ATOM 2255 N ASN B 51 15.454 9.996 -8.857 1.00 0.00 N ATOM 2256 CA ASN B 51 14.708 10.690 -9.902 1.00 0.00 C ATOM 2257 C ASN B 51 13.208 10.533 -9.667 1.00 0.00 C ATOM 2258 O ASN B 51 12.653 9.453 -9.869 1.00 0.00 O ATOM 2259 CB ASN B 51 15.075 10.146 -11.285 1.00 0.00 C ATOM 2260 CG ASN B 51 15.865 11.144 -12.109 1.00 0.00 C ATOM 2261 OD1 ASN B 51 16.041 12.295 -11.708 1.00 0.00 O ATOM 2262 ND2 ASN B 51 16.344 10.709 -13.268 1.00 0.00 N ATOM 0 H ASN B 51 14.925 9.846 -7.998 1.00 0.00 H new ATOM 0 HA ASN B 51 14.970 11.747 -9.864 1.00 0.00 H new ATOM 0 HB2 ASN B 51 15.658 9.232 -11.170 1.00 0.00 H new ATOM 0 HB3 ASN B 51 14.164 9.878 -11.820 1.00 0.00 H new ATOM 0 HD21 ASN B 51 16.882 11.337 -13.865 1.00 0.00 H new ATOM 0 HD22 ASN B 51 16.174 9.747 -13.561 1.00 0.00 H new ATOM 2269 N PRO B 52 12.529 11.609 -9.235 1.00 0.00 N ATOM 2270 CA PRO B 52 11.096 11.578 -8.974 1.00 0.00 C ATOM 2271 C PRO B 52 10.336 10.678 -9.954 1.00 0.00 C ATOM 2272 O PRO B 52 10.818 10.424 -11.058 1.00 0.00 O ATOM 2273 CB PRO B 52 10.699 13.036 -9.157 1.00 0.00 C ATOM 2274 CG PRO B 52 11.894 13.815 -8.717 1.00 0.00 C ATOM 2275 CD PRO B 52 13.102 12.943 -8.968 1.00 0.00 C ATOM 0 HA PRO B 52 10.859 11.168 -7.992 1.00 0.00 H new ATOM 0 HB2 PRO B 52 10.448 13.250 -10.196 1.00 0.00 H new ATOM 0 HB3 PRO B 52 9.822 13.285 -8.559 1.00 0.00 H new ATOM 0 HG2 PRO B 52 11.971 14.750 -9.271 1.00 0.00 H new ATOM 0 HG3 PRO B 52 11.818 14.075 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO B 52 13.686 13.304 -9.815 1.00 0.00 H new ATOM 0 HD3 PRO B 52 13.768 12.926 -8.106 1.00 0.00 H new ATOM 2283 N THR B 53 9.148 10.191 -9.561 1.00 0.00 N ATOM 2284 CA THR B 53 8.560 10.482 -8.252 1.00 0.00 C ATOM 2285 C THR B 53 8.316 9.199 -7.465 1.00 0.00 C ATOM 2286 O THR B 53 7.625 8.294 -7.931 1.00 0.00 O ATOM 2287 CB THR B 53 7.251 11.246 -8.421 1.00 0.00 C ATOM 2288 OG1 THR B 53 6.889 11.896 -7.215 1.00 0.00 O ATOM 2289 CG2 THR B 53 6.099 10.358 -8.830 1.00 0.00 C ATOM 0 H THR B 53 8.572 9.585 -10.145 1.00 0.00 H new ATOM 0 HA THR B 53 9.265 11.098 -7.694 1.00 0.00 H new ATOM 0 HB THR B 53 7.434 11.970 -9.215 1.00 0.00 H new ATOM 0 HG1 THR B 53 7.182 12.831 -7.246 1.00 0.00 H new ATOM 0 HG21 THR B 53 5.196 10.959 -8.934 1.00 0.00 H new ATOM 0 HG22 THR B 53 6.329 9.880 -9.782 1.00 0.00 H new ATOM 0 HG23 THR B 53 5.941 9.594 -8.069 1.00 0.00 H new ATOM 2297 N TRP B 54 8.895 9.128 -6.272 1.00 0.00 N ATOM 2298 CA TRP B 54 8.754 7.954 -5.418 1.00 0.00 C ATOM 2299 C TRP B 54 7.586 8.095 -4.443 1.00 0.00 C ATOM 2300 O TRP B 54 7.579 8.982 -3.590 1.00 0.00 O ATOM 2301 CB TRP B 54 10.042 7.721 -4.627 1.00 0.00 C ATOM 2302 CG TRP B 54 11.259 7.587 -5.485 1.00 0.00 C ATOM 2303 CD1 TRP B 54 11.894 8.581 -6.172 1.00 0.00 C ATOM 2304 CD2 TRP B 54 11.993 6.388 -5.743 1.00 0.00 C ATOM 2305 NE1 TRP B 54 12.978 8.069 -6.843 1.00 0.00 N ATOM 2306 CE2 TRP B 54 13.062 6.726 -6.593 1.00 0.00 C ATOM 2307 CE3 TRP B 54 11.849 5.060 -5.338 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 13.983 5.784 -7.043 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 12.760 4.127 -5.785 1.00 0.00 C ATOM 2310 CH2 TRP B 54 13.816 4.490 -6.629 1.00 0.00 C ATOM 0 H TRP B 54 9.468 9.872 -5.873 1.00 0.00 H new ATOM 0 HA TRP B 54 8.555 7.103 -6.069 1.00 0.00 H new ATOM 0 HB2 TRP B 54 10.187 8.549 -3.934 1.00 0.00 H new ATOM 0 HB3 TRP B 54 9.931 6.818 -4.026 1.00 0.00 H new ATOM 0 HD1 TRP B 54 11.589 9.617 -6.186 1.00 0.00 H new ATOM 0 HE1 TRP B 54 13.617 8.603 -7.432 1.00 0.00 H new ATOM 0 HE3 TRP B 54 11.039 4.769 -4.686 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 14.798 6.064 -7.694 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 12.657 3.097 -5.478 1.00 0.00 H new ATOM 0 HH2 TRP B 54 14.513 3.734 -6.960 1.00 0.00 H new ATOM 2321 N HIS B 55 6.618 7.191 -4.556 1.00 0.00 N ATOM 2322 CA HIS B 55 5.461 7.186 -3.666 1.00 0.00 C ATOM 2323 C HIS B 55 5.669 6.139 -2.577 1.00 0.00 C ATOM 2324 O HIS B 55 5.476 4.945 -2.808 1.00 0.00 O ATOM 2325 CB HIS B 55 4.178 6.887 -4.446 1.00 0.00 C ATOM 2326 CG HIS B 55 4.271 7.216 -5.902 1.00 0.00 C ATOM 2327 ND1 HIS B 55 3.951 8.455 -6.416 1.00 0.00 N ATOM 2328 CD2 HIS B 55 4.652 6.460 -6.959 1.00 0.00 C ATOM 2329 CE1 HIS B 55 4.131 8.447 -7.724 1.00 0.00 C ATOM 2330 NE2 HIS B 55 4.556 7.249 -8.078 1.00 0.00 N ATOM 0 H HIS B 55 6.612 6.450 -5.257 1.00 0.00 H new ATOM 0 HA HIS B 55 5.359 8.171 -3.212 1.00 0.00 H new ATOM 0 HB2 HIS B 55 3.934 5.830 -4.336 1.00 0.00 H new ATOM 0 HB3 HIS B 55 3.356 7.452 -4.006 1.00 0.00 H new ATOM 0 HD2 HIS B 55 4.972 5.429 -6.927 1.00 0.00 H new ATOM 0 HE1 HIS B 55 3.960 9.279 -8.391 1.00 0.00 H new ATOM 0 HE2 HIS B 55 4.777 6.956 -9.030 1.00 0.00 H new ATOM 2339 N CYS B 56 6.095 6.585 -1.400 1.00 0.00 N ATOM 2340 CA CYS B 56 6.364 5.671 -0.295 1.00 0.00 C ATOM 2341 C CYS B 56 5.418 5.885 0.882 1.00 0.00 C ATOM 2342 O CYS B 56 5.012 7.008 1.179 1.00 0.00 O ATOM 2343 CB CYS B 56 7.807 5.840 0.176 1.00 0.00 C ATOM 2344 SG CYS B 56 8.229 7.527 0.673 1.00 0.00 S ATOM 0 H CYS B 56 6.261 7.569 -1.187 1.00 0.00 H new ATOM 0 HA CYS B 56 6.202 4.659 -0.667 1.00 0.00 H new ATOM 0 HB2 CYS B 56 7.984 5.170 1.017 1.00 0.00 H new ATOM 0 HB3 CYS B 56 8.478 5.530 -0.625 1.00 0.00 H new ATOM 0 HG CYS B 56 9.470 7.568 1.058 1.00 0.00 H new ATOM 2350 N ILE B 57 5.097 4.787 1.561 1.00 0.00 N ATOM 2351 CA ILE B 57 4.225 4.822 2.731 1.00 0.00 C ATOM 2352 C ILE B 57 4.888 4.106 3.903 1.00 0.00 C ATOM 2353 O ILE B 57 5.067 2.888 3.875 1.00 0.00 O ATOM 2354 CB ILE B 57 2.858 4.164 2.453 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.237 4.725 1.171 1.00 0.00 C ATOM 2356 CG2 ILE B 57 1.924 4.369 3.638 1.00 0.00 C ATOM 2357 CD1 ILE B 57 2.214 6.237 1.113 1.00 0.00 C ATOM 0 H ILE B 57 5.431 3.854 1.318 1.00 0.00 H new ATOM 0 HA ILE B 57 4.059 5.871 2.974 1.00 0.00 H new ATOM 0 HB ILE B 57 3.011 3.094 2.313 1.00 0.00 H new ATOM 0 HG12 ILE B 57 2.793 4.346 0.313 1.00 0.00 H new ATOM 0 HG13 ILE B 57 1.217 4.352 1.079 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.963 3.900 3.429 1.00 0.00 H new ATOM 0 HG22 ILE B 57 2.362 3.918 4.529 1.00 0.00 H new ATOM 0 HG23 ILE B 57 1.778 5.436 3.806 1.00 0.00 H new ATOM 0 HD11 ILE B 57 1.760 6.558 0.176 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.633 6.624 1.950 1.00 0.00 H new ATOM 0 HD13 ILE B 57 3.233 6.619 1.172 1.00 0.00 H new ATOM 2369 N VAL B 58 5.264 4.865 4.926 1.00 0.00 N ATOM 2370 CA VAL B 58 5.921 4.294 6.097 1.00 0.00 C ATOM 2371 C VAL B 58 5.024 4.353 7.330 1.00 0.00 C ATOM 2372 O VAL B 58 4.397 5.376 7.607 1.00 0.00 O ATOM 2373 CB VAL B 58 7.245 5.017 6.399 1.00 0.00 C ATOM 2374 CG1 VAL B 58 7.042 6.522 6.396 1.00 0.00 C ATOM 2375 CG2 VAL B 58 7.821 4.552 7.729 1.00 0.00 C ATOM 0 H VAL B 58 5.126 5.875 4.969 1.00 0.00 H new ATOM 0 HA VAL B 58 6.127 3.250 5.863 1.00 0.00 H new ATOM 0 HB VAL B 58 7.960 4.767 5.615 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.989 7.017 6.611 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.681 6.839 5.417 1.00 0.00 H new ATOM 0 HG13 VAL B 58 6.310 6.792 7.157 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.757 5.076 7.923 1.00 0.00 H new ATOM 0 HG22 VAL B 58 7.112 4.768 8.528 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.007 3.479 7.690 1.00 0.00 H new ATOM 2385 N GLY B 59 4.976 3.249 8.069 1.00 0.00 N ATOM 2386 CA GLY B 59 4.164 3.183 9.269 1.00 0.00 C ATOM 2387 C GLY B 59 4.527 1.994 10.134 1.00 0.00 C ATOM 2388 O GLY B 59 5.706 1.696 10.325 1.00 0.00 O ATOM 0 H GLY B 59 5.489 2.394 7.855 1.00 0.00 H new ATOM 0 HA2 GLY B 59 4.290 4.101 9.843 1.00 0.00 H new ATOM 0 HA3 GLY B 59 3.112 3.122 8.992 1.00 0.00 H new ATOM 2392 N ARG B 60 3.518 1.313 10.664 1.00 0.00 N ATOM 2393 CA ARG B 60 3.748 0.159 11.512 1.00 0.00 C ATOM 2394 C ARG B 60 2.442 -0.556 11.839 1.00 0.00 C ATOM 2395 O ARG B 60 2.279 -1.102 12.930 1.00 0.00 O ATOM 2396 CB ARG B 60 4.436 0.600 12.793 1.00 0.00 C ATOM 2397 CG ARG B 60 3.710 1.720 13.518 1.00 0.00 C ATOM 2398 CD ARG B 60 4.497 2.200 14.726 1.00 0.00 C ATOM 2399 NE ARG B 60 3.818 1.893 15.981 1.00 0.00 N ATOM 2400 CZ ARG B 60 4.401 1.271 17.001 1.00 0.00 C ATOM 2401 NH1 ARG B 60 5.665 0.881 16.909 1.00 0.00 N ATOM 2402 NH2 ARG B 60 3.719 1.041 18.115 1.00 0.00 N ATOM 0 H ARG B 60 2.535 1.543 10.519 1.00 0.00 H new ATOM 0 HA ARG B 60 4.387 -0.542 10.975 1.00 0.00 H new ATOM 0 HB2 ARG B 60 4.525 -0.256 13.461 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.449 0.927 12.558 1.00 0.00 H new ATOM 0 HG2 ARG B 60 3.547 2.553 12.834 1.00 0.00 H new ATOM 0 HG3 ARG B 60 2.727 1.372 13.837 1.00 0.00 H new ATOM 0 HD2 ARG B 60 5.483 1.735 14.724 1.00 0.00 H new ATOM 0 HD3 ARG B 60 4.653 3.276 14.652 1.00 0.00 H new ATOM 0 HE ARG B 60 2.842 2.171 16.081 1.00 0.00 H new ATOM 0 HH11 ARG B 60 6.192 1.058 16.054 1.00 0.00 H new ATOM 0 HH12 ARG B 60 6.110 0.404 17.693 1.00 0.00 H new ATOM 0 HH21 ARG B 60 2.747 1.341 18.189 1.00 0.00 H new ATOM 0 HH22 ARG B 60 4.166 0.564 18.898 1.00 0.00 H new ATOM 2416 N ASN B 61 1.518 -0.551 10.886 1.00 0.00 N ATOM 2417 CA ASN B 61 0.228 -1.202 11.070 1.00 0.00 C ATOM 2418 C ASN B 61 -0.772 -0.724 10.026 1.00 0.00 C ATOM 2419 O ASN B 61 -1.982 -0.733 10.257 1.00 0.00 O ATOM 2420 CB ASN B 61 -0.311 -0.930 12.475 1.00 0.00 C ATOM 2421 CG ASN B 61 -0.263 -2.160 13.360 1.00 0.00 C ATOM 2422 OD1 ASN B 61 -1.378 -2.465 14.012 1.00 0.00 O flip ATOM 2423 ND2 ASN B 61 0.766 -2.830 13.456 1.00 0.00 N flip ATOM 0 H ASN B 61 1.639 -0.103 9.978 1.00 0.00 H new ATOM 0 HA ASN B 61 0.369 -2.276 10.948 1.00 0.00 H new ATOM 0 HB2 ASN B 61 0.270 -0.131 12.936 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -1.340 -0.576 12.405 1.00 0.00 H new ATOM 0 HD21 ASN B 61 1.601 -2.559 12.937 1.00 0.00 H new ATOM 0 HD22 ASN B 61 0.783 -3.656 14.055 1.00 0.00 H new ATOM 2430 N PHE B 62 -0.258 -0.307 8.876 1.00 0.00 N ATOM 2431 CA PHE B 62 -1.102 0.174 7.791 1.00 0.00 C ATOM 2432 C PHE B 62 -1.288 -0.903 6.730 1.00 0.00 C ATOM 2433 O PHE B 62 -0.565 -1.899 6.707 1.00 0.00 O ATOM 2434 CB PHE B 62 -0.487 1.424 7.157 1.00 0.00 C ATOM 2435 CG PHE B 62 0.765 1.141 6.378 1.00 0.00 C ATOM 2436 CD1 PHE B 62 1.885 0.619 7.006 1.00 0.00 C ATOM 2437 CD2 PHE B 62 0.821 1.393 5.017 1.00 0.00 C ATOM 2438 CE1 PHE B 62 3.037 0.354 6.291 1.00 0.00 C ATOM 2439 CE2 PHE B 62 1.970 1.131 4.296 1.00 0.00 C ATOM 2440 CZ PHE B 62 3.080 0.610 4.934 1.00 0.00 C ATOM 0 H PHE B 62 0.741 -0.292 8.671 1.00 0.00 H new ATOM 0 HA PHE B 62 -2.078 0.425 8.206 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -1.221 1.886 6.497 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -0.263 2.148 7.941 1.00 0.00 H new ATOM 0 HD1 PHE B 62 1.857 0.417 8.067 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -0.044 1.799 4.514 1.00 0.00 H new ATOM 0 HE1 PHE B 62 3.903 -0.053 6.792 1.00 0.00 H new ATOM 0 HE2 PHE B 62 2.001 1.333 3.235 1.00 0.00 H new ATOM 0 HZ PHE B 62 3.979 0.403 4.373 1.00 0.00 H new ATOM 2450 N GLY B 63 -2.259 -0.694 5.849 1.00 0.00 N ATOM 2451 CA GLY B 63 -2.522 -1.650 4.790 1.00 0.00 C ATOM 2452 C GLY B 63 -2.391 -1.025 3.417 1.00 0.00 C ATOM 2453 O GLY B 63 -3.380 -0.591 2.828 1.00 0.00 O ATOM 0 H GLY B 63 -2.870 0.123 5.849 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -1.828 -2.486 4.876 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -3.526 -2.056 4.909 1.00 0.00 H new ATOM 2457 N SER B 64 -1.165 -0.969 2.911 1.00 0.00 N ATOM 2458 CA SER B 64 -0.907 -0.379 1.603 1.00 0.00 C ATOM 2459 C SER B 64 -1.245 -1.350 0.477 1.00 0.00 C ATOM 2460 O SER B 64 -0.958 -2.545 0.562 1.00 0.00 O ATOM 2461 CB SER B 64 0.557 0.055 1.497 1.00 0.00 C ATOM 2462 OG SER B 64 1.417 -0.891 2.110 1.00 0.00 O ATOM 0 H SER B 64 -0.335 -1.324 3.386 1.00 0.00 H new ATOM 0 HA SER B 64 -1.550 0.495 1.500 1.00 0.00 H new ATOM 0 HB2 SER B 64 0.829 0.172 0.448 1.00 0.00 H new ATOM 0 HB3 SER B 64 0.686 1.028 1.971 1.00 0.00 H new ATOM 0 HG SER B 64 1.798 -0.506 2.927 1.00 0.00 H new ATOM 2468 N TYR B 65 -1.852 -0.823 -0.582 1.00 0.00 N ATOM 2469 CA TYR B 65 -2.227 -1.631 -1.737 1.00 0.00 C ATOM 2470 C TYR B 65 -2.176 -0.795 -3.011 1.00 0.00 C ATOM 2471 O TYR B 65 -3.198 -0.566 -3.660 1.00 0.00 O ATOM 2472 CB TYR B 65 -3.628 -2.216 -1.549 1.00 0.00 C ATOM 2473 CG TYR B 65 -3.821 -3.551 -2.234 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.318 -4.719 -1.675 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -4.504 -3.642 -3.442 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -3.491 -5.940 -2.299 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -4.680 -4.860 -4.071 1.00 0.00 C ATOM 2478 CZ TYR B 65 -4.172 -6.006 -3.496 1.00 0.00 C ATOM 2479 OH TYR B 65 -4.344 -7.219 -4.121 1.00 0.00 O ATOM 0 H TYR B 65 -2.095 0.164 -0.664 1.00 0.00 H new ATOM 0 HA TYR B 65 -1.515 -2.451 -1.827 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -3.825 -2.332 -0.483 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.363 -1.509 -1.934 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -2.783 -4.672 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -4.903 -2.747 -3.896 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -3.094 -6.839 -1.851 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -5.213 -4.914 -5.009 1.00 0.00 H new ATOM 0 HH TYR B 65 -4.846 -7.090 -4.953 1.00 0.00 H new ATOM 2489 N VAL B 66 -0.978 -0.339 -3.360 1.00 0.00 N ATOM 2490 CA VAL B 66 -0.785 0.476 -4.551 1.00 0.00 C ATOM 2491 C VAL B 66 -0.209 -0.349 -5.697 1.00 0.00 C ATOM 2492 O VAL B 66 0.653 -1.203 -5.489 1.00 0.00 O ATOM 2493 CB VAL B 66 0.153 1.664 -4.269 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -0.497 2.638 -3.299 1.00 0.00 C ATOM 2495 CG2 VAL B 66 1.487 1.174 -3.728 1.00 0.00 C ATOM 0 H VAL B 66 -0.124 -0.521 -2.832 1.00 0.00 H new ATOM 0 HA VAL B 66 -1.766 0.854 -4.838 1.00 0.00 H new ATOM 0 HB VAL B 66 0.337 2.188 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL B 66 0.180 3.471 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -1.425 3.015 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -0.713 2.127 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL B 66 2.137 2.027 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL B 66 1.324 0.625 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL B 66 1.958 0.518 -4.460 1.00 0.00 H new ATOM 2505 N THR B 67 -0.690 -0.086 -6.907 1.00 0.00 N ATOM 2506 CA THR B 67 -0.223 -0.805 -8.087 1.00 0.00 C ATOM 2507 C THR B 67 1.039 -0.161 -8.653 1.00 0.00 C ATOM 2508 O THR B 67 0.967 0.794 -9.427 1.00 0.00 O ATOM 2509 CB THR B 67 -1.318 -0.839 -9.154 1.00 0.00 C ATOM 2510 OG1 THR B 67 -2.369 -1.706 -8.765 1.00 0.00 O ATOM 2511 CG2 THR B 67 -0.823 -1.297 -10.508 1.00 0.00 C ATOM 0 H THR B 67 -1.402 0.619 -7.097 1.00 0.00 H new ATOM 0 HA THR B 67 0.016 -1.826 -7.790 1.00 0.00 H new ATOM 0 HB THR B 67 -1.666 0.190 -9.243 1.00 0.00 H new ATOM 0 HG1 THR B 67 -3.061 -1.713 -9.459 1.00 0.00 H new ATOM 0 HG21 THR B 67 -1.651 -1.298 -11.217 1.00 0.00 H new ATOM 0 HG22 THR B 67 -0.045 -0.619 -10.859 1.00 0.00 H new ATOM 0 HG23 THR B 67 -0.416 -2.305 -10.425 1.00 0.00 H new ATOM 2519 N HIS B 68 2.195 -0.690 -8.263 1.00 0.00 N ATOM 2520 CA HIS B 68 3.473 -0.168 -8.734 1.00 0.00 C ATOM 2521 C HIS B 68 3.546 -0.207 -10.255 1.00 0.00 C ATOM 2522 O HIS B 68 2.528 -0.109 -10.939 1.00 0.00 O ATOM 2523 CB HIS B 68 4.630 -0.969 -8.136 1.00 0.00 C ATOM 2524 CG HIS B 68 4.690 -2.387 -8.615 1.00 0.00 C ATOM 2525 ND1 HIS B 68 3.635 -3.267 -8.496 1.00 0.00 N ATOM 2526 CD2 HIS B 68 5.687 -3.077 -9.220 1.00 0.00 C ATOM 2527 CE1 HIS B 68 3.981 -4.438 -9.007 1.00 0.00 C ATOM 2528 NE2 HIS B 68 5.220 -4.346 -9.452 1.00 0.00 N ATOM 0 H HIS B 68 2.273 -1.480 -7.622 1.00 0.00 H new ATOM 0 HA HIS B 68 3.555 0.869 -8.409 1.00 0.00 H new ATOM 0 HB2 HIS B 68 5.569 -0.472 -8.380 1.00 0.00 H new ATOM 0 HB3 HIS B 68 4.540 -0.965 -7.050 1.00 0.00 H new ATOM 0 HD2 HIS B 68 6.667 -2.699 -9.472 1.00 0.00 H new ATOM 0 HE1 HIS B 68 3.356 -5.318 -9.052 1.00 0.00 H new ATOM 0 HE2 HIS B 68 5.746 -5.098 -9.897 1.00 0.00 H new ATOM 2537 N GLU B 69 4.759 -0.352 -10.780 1.00 0.00 N ATOM 2538 CA GLU B 69 4.959 -0.405 -12.223 1.00 0.00 C ATOM 2539 C GLU B 69 6.439 -0.296 -12.578 1.00 0.00 C ATOM 2540 O GLU B 69 7.074 0.726 -12.325 1.00 0.00 O ATOM 2541 CB GLU B 69 4.175 0.719 -12.903 1.00 0.00 C ATOM 2542 CG GLU B 69 4.011 1.957 -12.037 1.00 0.00 C ATOM 2543 CD GLU B 69 2.616 2.547 -12.118 1.00 0.00 C ATOM 2544 OE1 GLU B 69 1.930 2.307 -13.133 1.00 0.00 O ATOM 2545 OE2 GLU B 69 2.212 3.249 -11.167 1.00 0.00 O ATOM 0 H GLU B 69 5.614 -0.434 -10.230 1.00 0.00 H new ATOM 0 HA GLU B 69 4.593 -1.368 -12.580 1.00 0.00 H new ATOM 0 HB2 GLU B 69 4.682 0.997 -13.827 1.00 0.00 H new ATOM 0 HB3 GLU B 69 3.189 0.347 -13.180 1.00 0.00 H new ATOM 0 HG2 GLU B 69 4.234 1.703 -11.001 1.00 0.00 H new ATOM 0 HG3 GLU B 69 4.738 2.709 -12.344 1.00 0.00 H new ATOM 2552 N THR B 70 6.974 -1.359 -13.173 1.00 0.00 N ATOM 2553 CA THR B 70 8.377 -1.396 -13.578 1.00 0.00 C ATOM 2554 C THR B 70 9.293 -1.732 -12.397 1.00 0.00 C ATOM 2555 O THR B 70 10.023 -2.724 -12.433 1.00 0.00 O ATOM 2556 CB THR B 70 8.783 -0.061 -14.228 1.00 0.00 C ATOM 2557 OG1 THR B 70 9.628 -0.287 -15.343 1.00 0.00 O ATOM 2558 CG2 THR B 70 9.505 0.896 -13.300 1.00 0.00 C ATOM 0 H THR B 70 6.454 -2.210 -13.386 1.00 0.00 H new ATOM 0 HA THR B 70 8.493 -2.190 -14.316 1.00 0.00 H new ATOM 0 HB THR B 70 7.839 0.401 -14.517 1.00 0.00 H new ATOM 0 HG1 THR B 70 9.875 0.572 -15.745 1.00 0.00 H new ATOM 0 HG21 THR B 70 9.753 1.809 -13.841 1.00 0.00 H new ATOM 0 HG22 THR B 70 8.861 1.138 -12.455 1.00 0.00 H new ATOM 0 HG23 THR B 70 10.421 0.429 -12.937 1.00 0.00 H new ATOM 2566 N LYS B 71 9.257 -0.902 -11.356 1.00 0.00 N ATOM 2567 CA LYS B 71 10.090 -1.119 -10.177 1.00 0.00 C ATOM 2568 C LYS B 71 9.957 0.041 -9.197 1.00 0.00 C ATOM 2569 O LYS B 71 8.975 0.782 -9.225 1.00 0.00 O ATOM 2570 CB LYS B 71 11.557 -1.287 -10.583 1.00 0.00 C ATOM 2571 CG LYS B 71 11.887 -0.690 -11.941 1.00 0.00 C ATOM 2572 CD LYS B 71 12.792 -1.605 -12.750 1.00 0.00 C ATOM 2573 CE LYS B 71 13.594 -0.826 -13.780 1.00 0.00 C ATOM 2574 NZ LYS B 71 13.620 -1.516 -15.100 1.00 0.00 N ATOM 0 H LYS B 71 8.661 -0.076 -11.306 1.00 0.00 H new ATOM 0 HA LYS B 71 9.748 -2.031 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS B 71 12.190 -0.821 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS B 71 11.803 -2.349 -10.593 1.00 0.00 H new ATOM 0 HG2 LYS B 71 10.965 -0.509 -12.493 1.00 0.00 H new ATOM 0 HG3 LYS B 71 12.373 0.276 -11.806 1.00 0.00 H new ATOM 0 HD2 LYS B 71 13.472 -2.131 -12.080 1.00 0.00 H new ATOM 0 HD3 LYS B 71 12.190 -2.362 -13.253 1.00 0.00 H new ATOM 0 HE2 LYS B 71 13.164 0.169 -13.898 1.00 0.00 H new ATOM 0 HE3 LYS B 71 14.614 -0.692 -13.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 14.176 -0.953 -15.775 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 14.053 -2.455 -14.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 12.648 -1.622 -15.456 1.00 0.00 H new ATOM 2588 N HIS B 72 10.954 0.192 -8.332 1.00 0.00 N ATOM 2589 CA HIS B 72 10.952 1.262 -7.344 1.00 0.00 C ATOM 2590 C HIS B 72 9.799 1.095 -6.359 1.00 0.00 C ATOM 2591 O HIS B 72 9.428 2.035 -5.657 1.00 0.00 O ATOM 2592 CB HIS B 72 10.856 2.621 -8.035 1.00 0.00 C ATOM 2593 CG HIS B 72 11.917 2.842 -9.067 1.00 0.00 C ATOM 2594 ND1 HIS B 72 11.803 3.777 -10.076 1.00 0.00 N ATOM 2595 CD2 HIS B 72 13.118 2.244 -9.245 1.00 0.00 C ATOM 2596 CE1 HIS B 72 12.888 3.741 -10.830 1.00 0.00 C ATOM 2597 NE2 HIS B 72 13.701 2.820 -10.345 1.00 0.00 N ATOM 0 H HIS B 72 11.774 -0.414 -8.296 1.00 0.00 H new ATOM 0 HA HIS B 72 11.888 1.210 -6.788 1.00 0.00 H new ATOM 0 HB2 HIS B 72 9.877 2.712 -8.506 1.00 0.00 H new ATOM 0 HB3 HIS B 72 10.922 3.407 -7.283 1.00 0.00 H new ATOM 0 HD2 HIS B 72 13.539 1.459 -8.634 1.00 0.00 H new ATOM 0 HE1 HIS B 72 13.077 4.359 -11.695 1.00 0.00 H new ATOM 0 HE2 HIS B 72 14.615 2.576 -10.727 1.00 0.00 H new ATOM 2606 N PHE B 73 9.242 -0.111 -6.308 1.00 0.00 N ATOM 2607 CA PHE B 73 8.136 -0.401 -5.404 1.00 0.00 C ATOM 2608 C PHE B 73 8.563 -1.412 -4.346 1.00 0.00 C ATOM 2609 O PHE B 73 8.230 -2.592 -4.434 1.00 0.00 O ATOM 2610 CB PHE B 73 6.935 -0.936 -6.187 1.00 0.00 C ATOM 2611 CG PHE B 73 5.919 -1.637 -5.330 1.00 0.00 C ATOM 2612 CD1 PHE B 73 5.488 -1.072 -4.139 1.00 0.00 C ATOM 2613 CD2 PHE B 73 5.393 -2.860 -5.716 1.00 0.00 C ATOM 2614 CE1 PHE B 73 4.553 -1.715 -3.351 1.00 0.00 C ATOM 2615 CE2 PHE B 73 4.459 -3.506 -4.930 1.00 0.00 C ATOM 2616 CZ PHE B 73 4.038 -2.934 -3.747 1.00 0.00 C ATOM 0 H PHE B 73 9.538 -0.901 -6.881 1.00 0.00 H new ATOM 0 HA PHE B 73 7.847 0.525 -4.906 1.00 0.00 H new ATOM 0 HB2 PHE B 73 6.451 -0.107 -6.704 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.290 -1.626 -6.953 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.888 -0.119 -3.824 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.717 -3.313 -6.641 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.225 -1.265 -2.426 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.058 -4.459 -5.241 1.00 0.00 H new ATOM 0 HZ PHE B 73 3.307 -3.438 -3.132 1.00 0.00 H new ATOM 2626 N ILE B 74 9.305 -0.944 -3.349 1.00 0.00 N ATOM 2627 CA ILE B 74 9.778 -1.815 -2.285 1.00 0.00 C ATOM 2628 C ILE B 74 8.859 -1.762 -1.071 1.00 0.00 C ATOM 2629 O ILE B 74 8.246 -0.734 -0.781 1.00 0.00 O ATOM 2630 CB ILE B 74 11.208 -1.444 -1.843 1.00 0.00 C ATOM 2631 CG1 ILE B 74 11.825 -2.611 -1.055 1.00 0.00 C ATOM 2632 CG2 ILE B 74 11.188 -0.160 -1.022 1.00 0.00 C ATOM 2633 CD1 ILE B 74 13.031 -2.244 -0.210 1.00 0.00 C ATOM 0 H ILE B 74 9.590 0.031 -3.257 1.00 0.00 H new ATOM 0 HA ILE B 74 9.779 -2.826 -2.692 1.00 0.00 H new ATOM 0 HB ILE B 74 11.827 -1.263 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE B 74 11.060 -3.036 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE B 74 12.116 -3.391 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE B 74 12.203 0.092 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE B 74 10.779 0.651 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE B 74 10.567 -0.303 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE B 74 13.396 -3.131 0.308 1.00 0.00 H new ATOM 0 HD12 ILE B 74 13.818 -1.849 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE B 74 12.746 -1.488 0.522 1.00 0.00 H new ATOM 2645 N TYR B 75 8.782 -2.878 -0.360 1.00 0.00 N ATOM 2646 CA TYR B 75 7.960 -2.977 0.838 1.00 0.00 C ATOM 2647 C TYR B 75 8.690 -3.795 1.892 1.00 0.00 C ATOM 2648 O TYR B 75 9.116 -4.916 1.630 1.00 0.00 O ATOM 2649 CB TYR B 75 6.607 -3.615 0.513 1.00 0.00 C ATOM 2650 CG TYR B 75 5.539 -3.341 1.549 1.00 0.00 C ATOM 2651 CD1 TYR B 75 5.834 -3.370 2.906 1.00 0.00 C ATOM 2652 CD2 TYR B 75 4.235 -3.053 1.168 1.00 0.00 C ATOM 2653 CE1 TYR B 75 4.859 -3.119 3.854 1.00 0.00 C ATOM 2654 CE2 TYR B 75 3.255 -2.801 2.108 1.00 0.00 C ATOM 2655 CZ TYR B 75 3.572 -2.836 3.450 1.00 0.00 C ATOM 2656 OH TYR B 75 2.598 -2.587 4.390 1.00 0.00 O ATOM 0 H TYR B 75 9.284 -3.735 -0.595 1.00 0.00 H new ATOM 0 HA TYR B 75 7.778 -1.974 1.225 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.265 -3.247 -0.454 1.00 0.00 H new ATOM 0 HB3 TYR B 75 6.738 -4.693 0.416 1.00 0.00 H new ATOM 0 HD1 TYR B 75 6.841 -3.592 3.226 1.00 0.00 H new ATOM 0 HD2 TYR B 75 3.983 -3.026 0.118 1.00 0.00 H new ATOM 0 HE1 TYR B 75 5.105 -3.145 4.905 1.00 0.00 H new ATOM 0 HE2 TYR B 75 2.246 -2.578 1.794 1.00 0.00 H new ATOM 0 HH TYR B 75 2.660 -1.655 4.686 1.00 0.00 H new ATOM 2666 N PHE B 76 8.847 -3.222 3.077 1.00 0.00 N ATOM 2667 CA PHE B 76 9.546 -3.902 4.159 1.00 0.00 C ATOM 2668 C PHE B 76 9.101 -3.378 5.519 1.00 0.00 C ATOM 2669 O PHE B 76 8.437 -2.345 5.614 1.00 0.00 O ATOM 2670 CB PHE B 76 11.056 -3.719 4.005 1.00 0.00 C ATOM 2671 CG PHE B 76 11.458 -2.311 3.665 1.00 0.00 C ATOM 2672 CD1 PHE B 76 11.300 -1.823 2.377 1.00 0.00 C ATOM 2673 CD2 PHE B 76 11.990 -1.474 4.633 1.00 0.00 C ATOM 2674 CE1 PHE B 76 11.666 -0.528 2.064 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.358 -0.180 4.323 1.00 0.00 C ATOM 2676 CZ PHE B 76 12.195 0.294 3.038 1.00 0.00 C ATOM 0 H PHE B 76 8.502 -2.292 3.313 1.00 0.00 H new ATOM 0 HA PHE B 76 9.300 -4.962 4.103 1.00 0.00 H new ATOM 0 HB2 PHE B 76 11.546 -4.014 4.933 1.00 0.00 H new ATOM 0 HB3 PHE B 76 11.418 -4.390 3.226 1.00 0.00 H new ATOM 0 HD1 PHE B 76 10.887 -2.462 1.610 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.118 -1.838 5.642 1.00 0.00 H new ATOM 0 HE1 PHE B 76 11.538 -0.159 1.057 1.00 0.00 H new ATOM 0 HE2 PHE B 76 12.773 0.461 5.086 1.00 0.00 H new ATOM 0 HZ PHE B 76 12.481 1.307 2.795 1.00 0.00 H new ATOM 2686 N TYR B 77 9.476 -4.099 6.569 1.00 0.00 N ATOM 2687 CA TYR B 77 9.122 -3.711 7.929 1.00 0.00 C ATOM 2688 C TYR B 77 10.368 -3.574 8.800 1.00 0.00 C ATOM 2689 O TYR B 77 11.024 -4.566 9.121 1.00 0.00 O ATOM 2690 CB TYR B 77 8.169 -4.735 8.546 1.00 0.00 C ATOM 2691 CG TYR B 77 7.986 -4.559 10.035 1.00 0.00 C ATOM 2692 CD1 TYR B 77 8.927 -5.052 10.931 1.00 0.00 C ATOM 2693 CD2 TYR B 77 6.877 -3.898 10.545 1.00 0.00 C ATOM 2694 CE1 TYR B 77 8.766 -4.889 12.294 1.00 0.00 C ATOM 2695 CE2 TYR B 77 6.709 -3.732 11.907 1.00 0.00 C ATOM 2696 CZ TYR B 77 7.656 -4.229 12.776 1.00 0.00 C ATOM 2697 OH TYR B 77 7.492 -4.065 14.131 1.00 0.00 O ATOM 0 H TYR B 77 10.025 -4.956 6.505 1.00 0.00 H new ATOM 0 HA TYR B 77 8.623 -2.743 7.882 1.00 0.00 H new ATOM 0 HB2 TYR B 77 7.198 -4.659 8.056 1.00 0.00 H new ATOM 0 HB3 TYR B 77 8.548 -5.738 8.349 1.00 0.00 H new ATOM 0 HD1 TYR B 77 9.797 -5.570 10.557 1.00 0.00 H new ATOM 0 HD2 TYR B 77 6.133 -3.507 9.867 1.00 0.00 H new ATOM 0 HE1 TYR B 77 9.506 -5.277 12.978 1.00 0.00 H new ATOM 0 HE2 TYR B 77 5.840 -3.216 12.288 1.00 0.00 H new ATOM 0 HH TYR B 77 6.576 -4.306 14.381 1.00 0.00 H new ATOM 2707 N LEU B 78 10.685 -2.341 9.185 1.00 0.00 N ATOM 2708 CA LEU B 78 11.849 -2.076 10.025 1.00 0.00 C ATOM 2709 C LEU B 78 11.599 -2.544 11.455 1.00 0.00 C ATOM 2710 O LEU B 78 10.477 -2.906 11.809 1.00 0.00 O ATOM 2711 CB LEU B 78 12.185 -0.579 10.012 1.00 0.00 C ATOM 2712 CG LEU B 78 12.720 -0.028 8.682 1.00 0.00 C ATOM 2713 CD1 LEU B 78 14.209 -0.299 8.551 1.00 0.00 C ATOM 2714 CD2 LEU B 78 11.962 -0.621 7.501 1.00 0.00 C ATOM 0 H LEU B 78 10.152 -1.510 8.929 1.00 0.00 H new ATOM 0 HA LEU B 78 12.696 -2.632 9.622 1.00 0.00 H new ATOM 0 HB2 LEU B 78 11.288 -0.022 10.280 1.00 0.00 H new ATOM 0 HB3 LEU B 78 12.925 -0.385 10.789 1.00 0.00 H new ATOM 0 HG LEU B 78 12.564 1.051 8.677 1.00 0.00 H new ATOM 0 HD11 LEU B 78 14.569 0.099 7.602 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.740 0.183 9.372 1.00 0.00 H new ATOM 0 HD13 LEU B 78 14.388 -1.374 8.585 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.361 -0.214 6.572 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.077 -1.705 7.502 1.00 0.00 H new ATOM 0 HD23 LEU B 78 10.905 -0.369 7.584 1.00 0.00 H new ATOM 2726 N GLY B 79 12.653 -2.537 12.268 1.00 0.00 N ATOM 2727 CA GLY B 79 12.535 -2.965 13.654 1.00 0.00 C ATOM 2728 C GLY B 79 11.133 -2.787 14.204 1.00 0.00 C ATOM 2729 O GLY B 79 10.563 -3.714 14.780 1.00 0.00 O ATOM 0 H GLY B 79 13.589 -2.242 11.991 1.00 0.00 H new ATOM 0 HA2 GLY B 79 12.821 -4.014 13.732 1.00 0.00 H new ATOM 0 HA3 GLY B 79 13.236 -2.397 14.266 1.00 0.00 H new ATOM 2733 N GLN B 80 10.574 -1.596 14.023 1.00 0.00 N ATOM 2734 CA GLN B 80 9.228 -1.301 14.499 1.00 0.00 C ATOM 2735 C GLN B 80 8.520 -0.339 13.551 1.00 0.00 C ATOM 2736 O GLN B 80 7.776 0.542 13.982 1.00 0.00 O ATOM 2737 CB GLN B 80 9.277 -0.709 15.908 1.00 0.00 C ATOM 2738 CG GLN B 80 8.107 -1.131 16.785 1.00 0.00 C ATOM 2739 CD GLN B 80 8.228 -2.562 17.273 1.00 0.00 C ATOM 2740 OE1 GLN B 80 8.790 -2.735 18.464 1.00 0.00 O flip ATOM 2741 NE2 GLN B 80 7.820 -3.501 16.589 1.00 0.00 N flip ATOM 0 H GLN B 80 11.033 -0.818 13.549 1.00 0.00 H new ATOM 0 HA GLN B 80 8.666 -2.234 14.530 1.00 0.00 H new ATOM 0 HB2 GLN B 80 10.208 -1.011 16.388 1.00 0.00 H new ATOM 0 HB3 GLN B 80 9.293 0.379 15.836 1.00 0.00 H new ATOM 0 HG2 GLN B 80 8.042 -0.463 17.644 1.00 0.00 H new ATOM 0 HG3 GLN B 80 7.179 -1.020 16.224 1.00 0.00 H new ATOM 0 HE21 GLN B 80 7.395 -3.322 15.679 1.00 0.00 H new ATOM 0 HE22 GLN B 80 7.907 -4.458 16.932 1.00 0.00 H new ATOM 2750 N VAL B 81 8.761 -0.518 12.256 1.00 0.00 N ATOM 2751 CA VAL B 81 8.153 0.328 11.237 1.00 0.00 C ATOM 2752 C VAL B 81 8.003 -0.429 9.921 1.00 0.00 C ATOM 2753 O VAL B 81 8.524 -1.534 9.768 1.00 0.00 O ATOM 2754 CB VAL B 81 8.986 1.603 11.002 1.00 0.00 C ATOM 2755 CG1 VAL B 81 8.402 2.427 9.863 1.00 0.00 C ATOM 2756 CG2 VAL B 81 9.063 2.426 12.279 1.00 0.00 C ATOM 0 H VAL B 81 9.375 -1.244 11.887 1.00 0.00 H new ATOM 0 HA VAL B 81 7.166 0.614 11.600 1.00 0.00 H new ATOM 0 HB VAL B 81 9.997 1.308 10.720 1.00 0.00 H new ATOM 0 HG11 VAL B 81 9.006 3.322 9.715 1.00 0.00 H new ATOM 0 HG12 VAL B 81 8.401 1.834 8.948 1.00 0.00 H new ATOM 0 HG13 VAL B 81 7.380 2.715 10.109 1.00 0.00 H new ATOM 0 HG21 VAL B 81 9.654 3.324 12.098 1.00 0.00 H new ATOM 0 HG22 VAL B 81 8.058 2.710 12.590 1.00 0.00 H new ATOM 0 HG23 VAL B 81 9.532 1.835 13.065 1.00 0.00 H new ATOM 2766 N ALA B 82 7.285 0.166 8.974 1.00 0.00 N ATOM 2767 CA ALA B 82 7.065 -0.458 7.676 1.00 0.00 C ATOM 2768 C ALA B 82 7.084 0.582 6.562 1.00 0.00 C ATOM 2769 O ALA B 82 6.224 1.460 6.504 1.00 0.00 O ATOM 2770 CB ALA B 82 5.744 -1.213 7.671 1.00 0.00 C ATOM 0 H ALA B 82 6.846 1.080 9.082 1.00 0.00 H new ATOM 0 HA ALA B 82 7.875 -1.164 7.496 1.00 0.00 H new ATOM 0 HB1 ALA B 82 5.592 -1.674 6.695 1.00 0.00 H new ATOM 0 HB2 ALA B 82 5.764 -1.986 8.439 1.00 0.00 H new ATOM 0 HB3 ALA B 82 4.928 -0.520 7.875 1.00 0.00 H new ATOM 2776 N ILE B 83 8.071 0.480 5.681 1.00 0.00 N ATOM 2777 CA ILE B 83 8.199 1.417 4.572 1.00 0.00 C ATOM 2778 C ILE B 83 7.693 0.805 3.270 1.00 0.00 C ATOM 2779 O ILE B 83 8.077 -0.305 2.903 1.00 0.00 O ATOM 2780 CB ILE B 83 9.660 1.869 4.382 1.00 0.00 C ATOM 2781 CG1 ILE B 83 10.465 1.643 5.665 1.00 0.00 C ATOM 2782 CG2 ILE B 83 9.708 3.334 3.973 1.00 0.00 C ATOM 2783 CD1 ILE B 83 10.076 2.567 6.799 1.00 0.00 C ATOM 0 H ILE B 83 8.793 -0.240 5.712 1.00 0.00 H new ATOM 0 HA ILE B 83 7.588 2.285 4.822 1.00 0.00 H new ATOM 0 HB ILE B 83 10.108 1.271 3.588 1.00 0.00 H new ATOM 0 HG12 ILE B 83 10.334 0.610 5.988 1.00 0.00 H new ATOM 0 HG13 ILE B 83 11.525 1.776 5.447 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.746 3.641 3.842 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.169 3.468 3.035 1.00 0.00 H new ATOM 0 HG23 ILE B 83 9.244 3.944 4.748 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.689 2.348 7.673 1.00 0.00 H new ATOM 0 HD12 ILE B 83 10.234 3.602 6.496 1.00 0.00 H new ATOM 0 HD13 ILE B 83 9.025 2.418 7.046 1.00 0.00 H new ATOM 2795 N LEU B 84 6.829 1.540 2.578 1.00 0.00 N ATOM 2796 CA LEU B 84 6.265 1.078 1.315 1.00 0.00 C ATOM 2797 C LEU B 84 6.658 2.017 0.178 1.00 0.00 C ATOM 2798 O LEU B 84 5.927 2.951 -0.151 1.00 0.00 O ATOM 2799 CB LEU B 84 4.738 0.977 1.427 1.00 0.00 C ATOM 2800 CG LEU B 84 3.961 1.217 0.130 1.00 0.00 C ATOM 2801 CD1 LEU B 84 3.731 -0.093 -0.607 1.00 0.00 C ATOM 2802 CD2 LEU B 84 2.636 1.906 0.423 1.00 0.00 C ATOM 0 H LEU B 84 6.503 2.461 2.872 1.00 0.00 H new ATOM 0 HA LEU B 84 6.666 0.089 1.093 1.00 0.00 H new ATOM 0 HB2 LEU B 84 4.484 -0.014 1.803 1.00 0.00 H new ATOM 0 HB3 LEU B 84 4.398 1.697 2.171 1.00 0.00 H new ATOM 0 HG LEU B 84 4.554 1.870 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU B 84 3.177 0.099 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU B 84 4.692 -0.547 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU B 84 3.159 -0.771 0.026 1.00 0.00 H new ATOM 0 HD21 LEU B 84 2.097 2.069 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU B 84 2.038 1.278 1.083 1.00 0.00 H new ATOM 0 HD23 LEU B 84 2.824 2.865 0.906 1.00 0.00 H new ATOM 2814 N LEU B 85 7.818 1.764 -0.422 1.00 0.00 N ATOM 2815 CA LEU B 85 8.302 2.591 -1.519 1.00 0.00 C ATOM 2816 C LEU B 85 7.804 2.059 -2.855 1.00 0.00 C ATOM 2817 O LEU B 85 7.853 0.860 -3.111 1.00 0.00 O ATOM 2818 CB LEU B 85 9.831 2.642 -1.513 1.00 0.00 C ATOM 2819 CG LEU B 85 10.430 4.042 -1.362 1.00 0.00 C ATOM 2820 CD1 LEU B 85 10.412 4.471 0.094 1.00 0.00 C ATOM 2821 CD2 LEU B 85 11.848 4.079 -1.912 1.00 0.00 C ATOM 0 H LEU B 85 8.437 0.995 -0.167 1.00 0.00 H new ATOM 0 HA LEU B 85 7.914 3.600 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU B 85 10.197 2.017 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU B 85 10.198 2.204 -2.441 1.00 0.00 H new ATOM 0 HG LEU B 85 9.822 4.741 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU B 85 10.841 5.469 0.185 1.00 0.00 H new ATOM 0 HD12 LEU B 85 9.384 4.484 0.457 1.00 0.00 H new ATOM 0 HD13 LEU B 85 10.997 3.769 0.687 1.00 0.00 H new ATOM 0 HD21 LEU B 85 12.257 5.083 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU B 85 12.469 3.369 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU B 85 11.835 3.812 -2.969 1.00 0.00 H new ATOM 2833 N PHE B 86 7.323 2.958 -3.702 1.00 0.00 N ATOM 2834 CA PHE B 86 6.818 2.572 -5.014 1.00 0.00 C ATOM 2835 C PHE B 86 6.785 3.777 -5.954 1.00 0.00 C ATOM 2836 O PHE B 86 6.215 4.815 -5.624 1.00 0.00 O ATOM 2837 CB PHE B 86 5.426 1.925 -4.874 1.00 0.00 C ATOM 2838 CG PHE B 86 4.294 2.717 -5.472 1.00 0.00 C ATOM 2839 CD1 PHE B 86 4.049 2.674 -6.835 1.00 0.00 C ATOM 2840 CD2 PHE B 86 3.479 3.504 -4.674 1.00 0.00 C ATOM 2841 CE1 PHE B 86 3.012 3.398 -7.391 1.00 0.00 C ATOM 2842 CE2 PHE B 86 2.441 4.231 -5.224 1.00 0.00 C ATOM 2843 CZ PHE B 86 2.208 4.178 -6.586 1.00 0.00 C ATOM 0 H PHE B 86 7.271 3.958 -3.506 1.00 0.00 H new ATOM 0 HA PHE B 86 7.491 1.835 -5.452 1.00 0.00 H new ATOM 0 HB2 PHE B 86 5.450 0.942 -5.344 1.00 0.00 H new ATOM 0 HB3 PHE B 86 5.220 1.767 -3.815 1.00 0.00 H new ATOM 0 HD1 PHE B 86 4.676 2.067 -7.471 1.00 0.00 H new ATOM 0 HD2 PHE B 86 3.657 3.550 -3.610 1.00 0.00 H new ATOM 0 HE1 PHE B 86 2.831 3.353 -8.455 1.00 0.00 H new ATOM 0 HE2 PHE B 86 1.812 4.840 -4.591 1.00 0.00 H new ATOM 0 HZ PHE B 86 1.398 4.746 -7.019 1.00 0.00 H new ATOM 2853 N LYS B 87 7.402 3.631 -7.123 1.00 0.00 N ATOM 2854 CA LYS B 87 7.444 4.712 -8.102 1.00 0.00 C ATOM 2855 C LYS B 87 6.585 4.382 -9.319 1.00 0.00 C ATOM 2856 O LYS B 87 6.522 3.232 -9.754 1.00 0.00 O ATOM 2857 CB LYS B 87 8.887 4.973 -8.531 1.00 0.00 C ATOM 2858 CG LYS B 87 9.391 6.355 -8.171 1.00 0.00 C ATOM 2859 CD LYS B 87 10.865 6.493 -8.501 1.00 0.00 C ATOM 2860 CE LYS B 87 11.071 7.017 -9.913 1.00 0.00 C ATOM 2861 NZ LYS B 87 10.015 6.534 -10.845 1.00 0.00 N ATOM 0 H LYS B 87 7.878 2.777 -7.415 1.00 0.00 H new ATOM 0 HA LYS B 87 7.041 5.611 -7.636 1.00 0.00 H new ATOM 0 HB2 LYS B 87 9.534 4.228 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS B 87 8.966 4.837 -9.610 1.00 0.00 H new ATOM 0 HG2 LYS B 87 8.820 7.108 -8.714 1.00 0.00 H new ATOM 0 HG3 LYS B 87 9.233 6.540 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS B 87 11.337 7.169 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS B 87 11.355 5.525 -8.395 1.00 0.00 H new ATOM 0 HE2 LYS B 87 11.072 8.107 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS B 87 12.049 6.702 -10.278 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 10.163 6.954 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 10.064 5.498 -10.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 9.080 6.812 -10.485 1.00 0.00 H new ATOM 2875 N SER B 88 5.924 5.399 -9.862 1.00 0.00 N ATOM 2876 CA SER B 88 5.066 5.219 -11.028 1.00 0.00 C ATOM 2877 C SER B 88 5.874 5.323 -12.312 1.00 0.00 C ATOM 2878 O SER B 88 5.329 5.552 -13.392 1.00 0.00 O ATOM 2879 CB SER B 88 3.949 6.258 -11.029 1.00 0.00 C ATOM 2880 OG SER B 88 2.674 5.639 -11.035 1.00 0.00 O ATOM 0 H SER B 88 5.966 6.357 -9.513 1.00 0.00 H new ATOM 0 HA SER B 88 4.624 4.224 -10.976 1.00 0.00 H new ATOM 0 HB2 SER B 88 4.042 6.897 -10.151 1.00 0.00 H new ATOM 0 HB3 SER B 88 4.048 6.902 -11.903 1.00 0.00 H new ATOM 0 HG SER B 88 2.016 6.242 -10.630 1.00 0.00 H new ATOM 2886 N GLY B 89 7.175 5.150 -12.176 1.00 0.00 N ATOM 2887 CA GLY B 89 8.063 5.221 -13.321 1.00 0.00 C ATOM 2888 C GLY B 89 7.704 4.217 -14.396 1.00 0.00 C ATOM 2889 O GLY B 89 7.620 4.615 -15.577 1.00 0.00 O ATOM 2890 OXT GLY B 89 7.507 3.030 -14.059 1.00 0.00 O ATOM 0 H GLY B 89 7.639 4.960 -11.288 1.00 0.00 H new ATOM 0 HA2 GLY B 89 8.029 6.226 -13.741 1.00 0.00 H new ATOM 0 HA3 GLY B 89 9.088 5.047 -12.993 1.00 0.00 H new TER 2894 GLY B 89