USER MOD reduce.3.24.130724 H: found=0, std=0, add=1436, rem=0, adj=56 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 70 THR OG1 : rot 154:sc= -1.48! USER MOD Set 1.2: B 87 LYS NZ :NH3+ -142:sc= -1.3 (180deg=-3.81!) USER MOD Set 2.1: B 32 TYR OH : rot 180:sc= 0.652 USER MOD Set 2.2: B 41 HIS : no HE2:sc= -13.8! C(o=-13!,f=-30!) USER MOD Set 3.1: B 24 CYS SG : rot 82:sc= 1.11 USER MOD Set 3.2: B 50 TYR OH : rot 88:sc= -1.43! USER MOD Set 4.1: B 13 MET CE :methyl 158:sc= -0.241 (180deg=-0.39) USER MOD Set 4.2: B 17 MET CE :methyl 143:sc= -17.6! (180deg=-23.2!) USER MOD Set 5.1: A 68 HIS : no HD1:sc= -0.762! C(o=-7.2!,f=-11!) USER MOD Set 5.2: A 72 HIS : no HE2:sc= -6.42! C(o=-7.2!,f=-13!) USER MOD Set 6.1: A 64 SER OG : rot -117:sc= -0.66! USER MOD Set 6.2: A 75 TYR OH : rot -30:sc= 1.81 USER MOD Set 7.1: A 43 LYS NZ :NH3+ 168:sc= -0.802 (180deg=-0.858) USER MOD Set 7.2: A 53 THR OG1 : rot 60:sc= -1.91 USER MOD Set 7.3: A 55 HIS : no HD1:sc= -11.1! C(o=-17!,f=-19!) USER MOD Set 7.4: A 88 SER OG : rot -108:sc= -2.92! USER MOD Set 7.5: B 88 SER OG : rot 141:sc= 0.0222 USER MOD Set 8.1: A 32 TYR OH : rot 180:sc= 0.619 USER MOD Set 8.2: A 41 HIS : no HE2:sc= -21.5! C(o=-21!,f=-29!) USER MOD Set 9.1: A 13 MET CE :methyl 161:sc= -0.675 (180deg=-0.781) USER MOD Set 9.2: A 17 MET CE :methyl 151:sc= -8.64! (180deg=-13.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= -0.0368 (180deg=-0.567) USER MOD Single : A 2 CYS SG : rot 170:sc= -0.475 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= -0.113 (180deg=-0.589) USER MOD Single : A 10 ASN :FLIP amide:sc= -3.21! C(o=-5.9!,f=-3.2!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -16.7! C(o=-17!,f=-18!) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.42 F(o=-2.1!,f=-0.42) USER MOD Single : A 21 SER OG : rot -88:sc= -1.93! USER MOD Single : A 24 CYS SG : rot 86:sc= 0.0868 USER MOD Single : A 26 THR OG1 : rot 63:sc= -0.971 USER MOD Single : A 27 GLN : amide:sc= -0.0578 K(o=-0.058,f=-1.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= -0.481 (180deg=-0.925) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 30:sc= -1.6 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.89 F(o=-0.57,f=0.89) USER MOD Single : A 56 CYS SG : rot 35:sc= -5.72! USER MOD Single : A 61 ASN :FLIP amide:sc= -5.11! C(o=-7.5!,f=-5.1!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 100:sc= 0 USER MOD Single : A 70 THR OG1 : rot 43:sc= -0.448 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -118:sc= 0.0996 (180deg=0) USER MOD Single : B 2 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 158:sc= -0.727! (180deg=-1.59!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN :FLIP amide:sc= -4.39! C(o=-7!,f=-4.4!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 18 GLN :FLIP amide:sc= -6.37! C(o=-12!,f=-6.4!) USER MOD Single : B 19 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.4) USER MOD Single : B 21 SER OG : rot -91:sc= -1.57! USER MOD Single : B 26 THR OG1 : rot 81:sc= 1.1 USER MOD Single : B 27 GLN :FLIP amide:sc= -0.228 F(o=-1.3,f=-0.23) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 ASN : amide:sc=-0.00737 X(o=-0.0074,f=-0.067) USER MOD Single : B 36 LYS NZ :NH3+ 163:sc= 1.29 (180deg=0.657) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= -0.004 (180deg=-0.004) 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 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -1.81! C(o=-1.8!,f=-4.4!) USER MOD Single : B 53 THR OG1 : rot 180:sc= -0.127 USER MOD Single : B 55 HIS : no HD1:sc= -22.7! C(o=-23!,f=-25!) USER MOD Single : B 56 CYS SG : rot -51:sc= -11.6! USER MOD Single : B 61 ASN : amide:sc= -5.08! C(o=-5.1!,f=-12!) USER MOD Single : B 64 SER OG : rot -127:sc= -6.01! USER MOD Single : B 65 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 160:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -1.26! C(o=-1.3!,f=-3.7!) USER MOD Single : B 71 LYS NZ :NH3+ 160:sc= 0.865 (180deg=0.603) USER MOD Single : B 72 HIS : no HD1:sc= -0.752 K(o=-0.75,f=-1.5) USER MOD Single : B 75 TYR OH : rot 129:sc= 1.85 USER MOD Single : B 77 TYR OH : rot 174:sc= -2.13! USER MOD Single : B 80 GLN :FLIP amide:sc= -0.0401 F(o=-1.9!,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.383 2.621 -0.365 1.00 0.00 N ATOM 2 CA MET A 1 -24.103 1.421 0.466 1.00 0.00 C ATOM 3 C MET A 1 -23.119 1.745 1.585 1.00 0.00 C ATOM 4 O MET A 1 -22.012 2.220 1.334 1.00 0.00 O ATOM 5 CB MET A 1 -23.533 0.326 -0.438 1.00 0.00 C ATOM 6 CG MET A 1 -24.487 -0.109 -1.538 1.00 0.00 C ATOM 7 SD MET A 1 -23.716 -0.102 -3.167 1.00 0.00 S ATOM 8 CE MET A 1 -25.071 -0.680 -4.186 1.00 0.00 C ATOM 0 H1 MET A 1 -25.354 2.568 -0.735 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.280 3.477 0.216 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.712 2.658 -1.158 1.00 0.00 H new ATOM 0 HA MET A 1 -25.029 1.081 0.930 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.608 0.684 -0.890 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.275 -0.540 0.172 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.856 -1.111 -1.319 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.352 0.554 -1.547 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.749 -0.729 -5.226 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.379 -1.672 -3.854 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.911 0.009 -4.099 1.00 0.00 H new ATOM 20 N CYS A 2 -23.531 1.485 2.821 1.00 0.00 N ATOM 21 CA CYS A 2 -22.687 1.750 3.978 1.00 0.00 C ATOM 22 C CYS A 2 -22.432 3.247 4.129 1.00 0.00 C ATOM 23 O CYS A 2 -22.520 4.001 3.161 1.00 0.00 O ATOM 24 CB CYS A 2 -21.357 1.006 3.848 1.00 0.00 C ATOM 25 SG CYS A 2 -20.527 0.692 5.423 1.00 0.00 S ATOM 0 H CYS A 2 -24.444 1.091 3.046 1.00 0.00 H new ATOM 0 HA CYS A 2 -23.208 1.394 4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -21.533 0.054 3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -20.691 1.585 3.208 1.00 0.00 H new ATOM 0 HG CYS A 2 -19.530 -0.120 5.234 1.00 0.00 H new ATOM 31 N ASP A 3 -22.114 3.668 5.349 1.00 0.00 N ATOM 32 CA ASP A 3 -21.846 5.075 5.623 1.00 0.00 C ATOM 33 C ASP A 3 -20.393 5.420 5.311 1.00 0.00 C ATOM 34 O ASP A 3 -19.779 4.821 4.428 1.00 0.00 O ATOM 35 CB ASP A 3 -22.161 5.400 7.084 1.00 0.00 C ATOM 36 CG ASP A 3 -23.608 5.119 7.439 1.00 0.00 C ATOM 37 OD1 ASP A 3 -24.500 5.749 6.834 1.00 0.00 O ATOM 38 OD2 ASP A 3 -23.850 4.269 8.322 1.00 0.00 O ATOM 0 H ASP A 3 -22.036 3.057 6.162 1.00 0.00 H new ATOM 0 HA ASP A 3 -22.489 5.676 4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.510 4.814 7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.940 6.450 7.276 1.00 0.00 H new ATOM 43 N ARG A 4 -19.849 6.390 6.038 1.00 0.00 N ATOM 44 CA ARG A 4 -18.468 6.815 5.838 1.00 0.00 C ATOM 45 C ARG A 4 -17.544 6.162 6.863 1.00 0.00 C ATOM 46 O ARG A 4 -16.482 5.648 6.517 1.00 0.00 O ATOM 47 CB ARG A 4 -18.362 8.339 5.931 1.00 0.00 C ATOM 48 CG ARG A 4 -19.177 9.071 4.877 1.00 0.00 C ATOM 49 CD ARG A 4 -20.659 9.065 5.216 1.00 0.00 C ATOM 50 NE ARG A 4 -21.249 10.396 5.109 1.00 0.00 N ATOM 51 CZ ARG A 4 -21.912 10.989 6.097 1.00 0.00 C ATOM 52 NH1 ARG A 4 -22.069 10.370 7.259 1.00 0.00 N ATOM 53 NH2 ARG A 4 -22.417 12.203 5.921 1.00 0.00 N ATOM 0 H ARG A 4 -20.344 6.897 6.772 1.00 0.00 H new ATOM 0 HA ARG A 4 -18.156 6.498 4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -18.692 8.658 6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -17.316 8.629 5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -18.826 10.100 4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -19.023 8.602 3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -21.181 8.382 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -20.798 8.687 6.229 1.00 0.00 H new ATOM 0 HE ARG A 4 -21.147 10.899 4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -21.681 9.437 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -22.578 10.827 8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -22.297 12.681 5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -22.926 12.658 6.679 1.00 0.00 H new ATOM 67 N LYS A 5 -17.958 6.188 8.128 1.00 0.00 N ATOM 68 CA LYS A 5 -17.171 5.597 9.206 1.00 0.00 C ATOM 69 C LYS A 5 -15.681 5.854 9.005 1.00 0.00 C ATOM 70 O LYS A 5 -14.849 4.986 9.270 1.00 0.00 O ATOM 71 CB LYS A 5 -17.432 4.093 9.288 1.00 0.00 C ATOM 72 CG LYS A 5 -17.538 3.569 10.711 1.00 0.00 C ATOM 73 CD LYS A 5 -16.547 2.447 10.966 1.00 0.00 C ATOM 74 CE LYS A 5 -17.207 1.082 10.849 1.00 0.00 C ATOM 75 NZ LYS A 5 -16.479 0.041 11.625 1.00 0.00 N ATOM 0 H LYS A 5 -18.835 6.612 8.431 1.00 0.00 H new ATOM 0 HA LYS A 5 -17.477 6.067 10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.355 3.864 8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -16.628 3.565 8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.357 4.382 11.414 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -18.551 3.210 10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.725 2.517 10.253 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.116 2.560 11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.236 1.145 11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.249 0.789 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.962 -0.874 11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.505 -0.039 11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.461 0.307 12.630 1.00 0.00 H new ATOM 89 N ALA A 6 -15.349 7.053 8.535 1.00 0.00 N ATOM 90 CA ALA A 6 -13.958 7.424 8.298 1.00 0.00 C ATOM 91 C ALA A 6 -13.701 8.876 8.681 1.00 0.00 C ATOM 92 O ALA A 6 -14.628 9.617 9.009 1.00 0.00 O ATOM 93 CB ALA A 6 -13.593 7.190 6.840 1.00 0.00 C ATOM 0 H ALA A 6 -16.024 7.784 8.311 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.329 6.795 8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.553 7.471 6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.727 6.136 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.237 7.795 6.202 1.00 0.00 H new ATOM 99 N VAL A 7 -12.434 9.278 8.634 1.00 0.00 N ATOM 100 CA VAL A 7 -12.051 10.643 8.973 1.00 0.00 C ATOM 101 C VAL A 7 -10.992 11.169 8.011 1.00 0.00 C ATOM 102 O VAL A 7 -9.814 11.253 8.357 1.00 0.00 O ATOM 103 CB VAL A 7 -11.510 10.736 10.412 1.00 0.00 C ATOM 104 CG1 VAL A 7 -11.239 12.185 10.787 1.00 0.00 C ATOM 105 CG2 VAL A 7 -12.484 10.098 11.389 1.00 0.00 C ATOM 0 H VAL A 7 -11.656 8.677 8.364 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.951 11.253 8.892 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.568 10.189 10.464 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.857 12.232 11.807 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.501 12.606 10.104 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.164 12.757 10.719 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.086 10.173 12.401 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.442 10.615 11.337 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.623 9.048 11.131 1.00 0.00 H new ATOM 115 N ILE A 8 -11.418 11.522 6.804 1.00 0.00 N ATOM 116 CA ILE A 8 -10.502 12.039 5.797 1.00 0.00 C ATOM 117 C ILE A 8 -9.463 12.960 6.436 1.00 0.00 C ATOM 118 O ILE A 8 -9.657 13.469 7.539 1.00 0.00 O ATOM 119 CB ILE A 8 -11.272 12.778 4.664 1.00 0.00 C ATOM 120 CG1 ILE A 8 -11.516 11.823 3.493 1.00 0.00 C ATOM 121 CG2 ILE A 8 -10.532 14.023 4.178 1.00 0.00 C ATOM 122 CD1 ILE A 8 -12.773 10.991 3.637 1.00 0.00 C ATOM 0 H ILE A 8 -12.390 11.460 6.500 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.982 11.192 5.350 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.225 13.108 5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.577 12.401 2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.659 11.156 3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.109 14.504 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.404 14.718 5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.554 13.737 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.879 10.339 2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.707 10.385 4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.639 11.649 3.704 1.00 0.00 H new ATOM 134 N LYS A 9 -8.360 13.166 5.725 1.00 0.00 N ATOM 135 CA LYS A 9 -7.282 14.023 6.208 1.00 0.00 C ATOM 136 C LYS A 9 -6.407 14.491 5.049 1.00 0.00 C ATOM 137 O LYS A 9 -5.519 15.325 5.222 1.00 0.00 O ATOM 138 CB LYS A 9 -6.431 13.278 7.237 1.00 0.00 C ATOM 139 CG LYS A 9 -7.195 12.209 8.002 1.00 0.00 C ATOM 140 CD LYS A 9 -7.776 12.757 9.294 1.00 0.00 C ATOM 141 CE LYS A 9 -7.905 11.671 10.351 1.00 0.00 C ATOM 142 NZ LYS A 9 -6.579 11.128 10.757 1.00 0.00 N ATOM 0 H LYS A 9 -8.188 12.750 4.810 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.727 14.897 6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.585 12.814 6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.022 13.997 7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.998 11.818 7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.530 11.375 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.139 13.558 9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.755 13.193 9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.415 12.075 11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.526 10.862 9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.644 10.735 11.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.293 10.379 10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.872 11.891 10.742 1.00 0.00 H new ATOM 156 N ASN A 10 -6.670 13.945 3.866 1.00 0.00 N ATOM 157 CA ASN A 10 -5.916 14.296 2.668 1.00 0.00 C ATOM 158 C ASN A 10 -6.619 13.765 1.423 1.00 0.00 C ATOM 159 O ASN A 10 -6.152 12.818 0.791 1.00 0.00 O ATOM 160 CB ASN A 10 -4.496 13.730 2.744 1.00 0.00 C ATOM 161 CG ASN A 10 -3.497 14.556 1.958 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.914 15.745 1.536 1.00 0.00 O flip ATOM 163 ND2 ASN A 10 -2.365 14.131 1.732 1.00 0.00 N flip ATOM 0 H ASN A 10 -7.404 13.254 3.711 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.859 15.383 2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.183 13.683 3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.495 12.708 2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.087 13.212 2.076 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.704 14.698 1.201 1.00 0.00 H new ATOM 170 N ALA A 11 -7.751 14.374 1.082 1.00 0.00 N ATOM 171 CA ALA A 11 -8.524 13.954 -0.080 1.00 0.00 C ATOM 172 C ALA A 11 -8.615 15.059 -1.124 1.00 0.00 C ATOM 173 O ALA A 11 -9.520 15.892 -1.081 1.00 0.00 O ATOM 174 CB ALA A 11 -9.917 13.526 0.344 1.00 0.00 C ATOM 0 H ALA A 11 -8.152 15.159 1.594 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.007 13.108 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.485 13.215 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.845 12.694 1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.424 14.362 0.826 1.00 0.00 H new ATOM 180 N ASP A 12 -7.683 15.052 -2.071 1.00 0.00 N ATOM 181 CA ASP A 12 -7.675 16.048 -3.134 1.00 0.00 C ATOM 182 C ASP A 12 -8.483 15.553 -4.326 1.00 0.00 C ATOM 183 O ASP A 12 -8.247 15.953 -5.465 1.00 0.00 O ATOM 184 CB ASP A 12 -6.241 16.370 -3.558 1.00 0.00 C ATOM 185 CG ASP A 12 -5.524 17.248 -2.551 1.00 0.00 C ATOM 186 OD1 ASP A 12 -6.157 18.187 -2.025 1.00 0.00 O ATOM 187 OD2 ASP A 12 -4.330 16.995 -2.287 1.00 0.00 O ATOM 0 H ASP A 12 -6.926 14.370 -2.124 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.134 16.961 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.686 15.441 -3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.255 16.870 -4.527 1.00 0.00 H new ATOM 192 N MET A 13 -9.443 14.678 -4.047 1.00 0.00 N ATOM 193 CA MET A 13 -10.300 14.115 -5.084 1.00 0.00 C ATOM 194 C MET A 13 -11.722 14.657 -4.960 1.00 0.00 C ATOM 195 O MET A 13 -12.046 15.361 -4.002 1.00 0.00 O ATOM 196 CB MET A 13 -10.308 12.587 -4.986 1.00 0.00 C ATOM 197 CG MET A 13 -11.388 11.925 -5.826 1.00 0.00 C ATOM 198 SD MET A 13 -10.911 10.281 -6.399 1.00 0.00 S ATOM 199 CE MET A 13 -10.780 9.397 -4.846 1.00 0.00 C ATOM 0 H MET A 13 -9.648 14.342 -3.106 1.00 0.00 H new ATOM 0 HA MET A 13 -9.904 14.407 -6.057 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.335 12.207 -5.297 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.444 12.300 -3.943 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.304 11.850 -5.240 1.00 0.00 H new ATOM 0 HG3 MET A 13 -11.611 12.555 -6.687 1.00 0.00 H new ATOM 0 HE1 MET A 13 -10.828 8.324 -5.033 1.00 0.00 H new ATOM 0 HE2 MET A 13 -9.831 9.640 -4.368 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.601 9.689 -4.191 1.00 0.00 H new ATOM 209 N SER A 14 -12.567 14.326 -5.930 1.00 0.00 N ATOM 210 CA SER A 14 -13.953 14.783 -5.923 1.00 0.00 C ATOM 211 C SER A 14 -14.667 14.333 -4.652 1.00 0.00 C ATOM 212 O SER A 14 -14.459 13.218 -4.178 1.00 0.00 O ATOM 213 CB SER A 14 -14.692 14.253 -7.154 1.00 0.00 C ATOM 214 OG SER A 14 -16.066 14.046 -6.875 1.00 0.00 O ATOM 0 H SER A 14 -12.318 13.744 -6.730 1.00 0.00 H new ATOM 0 HA SER A 14 -13.952 15.873 -5.950 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.587 14.960 -7.977 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.239 13.316 -7.479 1.00 0.00 H new ATOM 0 HG SER A 14 -16.516 13.709 -7.678 1.00 0.00 H new ATOM 220 N GLU A 15 -15.507 15.208 -4.105 1.00 0.00 N ATOM 221 CA GLU A 15 -16.247 14.895 -2.886 1.00 0.00 C ATOM 222 C GLU A 15 -16.905 13.521 -2.984 1.00 0.00 C ATOM 223 O GLU A 15 -16.589 12.615 -2.215 1.00 0.00 O ATOM 224 CB GLU A 15 -17.310 15.964 -2.620 1.00 0.00 C ATOM 225 CG GLU A 15 -16.814 17.118 -1.764 1.00 0.00 C ATOM 226 CD GLU A 15 -17.946 17.932 -1.171 1.00 0.00 C ATOM 227 OE1 GLU A 15 -18.461 18.830 -1.869 1.00 0.00 O ATOM 228 OE2 GLU A 15 -18.317 17.674 -0.006 1.00 0.00 O ATOM 0 H GLU A 15 -15.692 16.136 -4.485 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.540 14.881 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.665 16.356 -3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.165 15.500 -2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.192 16.727 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.182 17.768 -2.368 1.00 0.00 H new ATOM 235 N GLU A 16 -17.822 13.376 -3.933 1.00 0.00 N ATOM 236 CA GLU A 16 -18.524 12.114 -4.131 1.00 0.00 C ATOM 237 C GLU A 16 -17.538 10.958 -4.253 1.00 0.00 C ATOM 238 O GLU A 16 -17.836 9.830 -3.860 1.00 0.00 O ATOM 239 CB GLU A 16 -19.403 12.187 -5.381 1.00 0.00 C ATOM 240 CG GLU A 16 -19.762 13.607 -5.790 1.00 0.00 C ATOM 241 CD GLU A 16 -20.740 13.650 -6.948 1.00 0.00 C ATOM 242 OE1 GLU A 16 -21.886 13.181 -6.776 1.00 0.00 O ATOM 243 OE2 GLU A 16 -20.362 14.153 -8.027 1.00 0.00 O ATOM 0 H GLU A 16 -18.097 14.117 -4.578 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.157 11.937 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.886 11.699 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.320 11.626 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.193 14.129 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.854 14.142 -6.066 1.00 0.00 H new ATOM 250 N MET A 17 -16.363 11.245 -4.802 1.00 0.00 N ATOM 251 CA MET A 17 -15.333 10.229 -4.976 1.00 0.00 C ATOM 252 C MET A 17 -14.705 9.856 -3.637 1.00 0.00 C ATOM 253 O MET A 17 -14.520 8.678 -3.334 1.00 0.00 O ATOM 254 CB MET A 17 -14.253 10.727 -5.939 1.00 0.00 C ATOM 255 CG MET A 17 -14.621 10.563 -7.404 1.00 0.00 C ATOM 256 SD MET A 17 -13.482 9.479 -8.288 1.00 0.00 S ATOM 257 CE MET A 17 -13.359 8.113 -7.137 1.00 0.00 C ATOM 0 H MET A 17 -16.101 12.173 -5.134 1.00 0.00 H new ATOM 0 HA MET A 17 -15.802 9.340 -5.397 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.057 11.780 -5.738 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.327 10.187 -5.743 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.631 10.160 -7.478 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.632 11.542 -7.884 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.154 7.193 -7.685 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.550 8.303 -6.431 1.00 0.00 H new ATOM 0 HE3 MET A 17 -14.298 8.010 -6.593 1.00 0.00 H new ATOM 267 N GLN A 18 -14.379 10.868 -2.840 1.00 0.00 N ATOM 268 CA GLN A 18 -13.773 10.646 -1.534 1.00 0.00 C ATOM 269 C GLN A 18 -14.714 9.868 -0.622 1.00 0.00 C ATOM 270 O GLN A 18 -14.280 9.020 0.157 1.00 0.00 O ATOM 271 CB GLN A 18 -13.401 11.978 -0.882 1.00 0.00 C ATOM 272 CG GLN A 18 -14.121 13.172 -1.483 1.00 0.00 C ATOM 273 CD GLN A 18 -13.183 14.326 -1.771 1.00 0.00 C ATOM 274 OE1 GLN A 18 -13.615 15.413 -2.156 1.00 0.00 O ATOM 275 NE2 GLN A 18 -11.890 14.095 -1.582 1.00 0.00 N ATOM 0 H GLN A 18 -14.525 11.850 -3.076 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.867 10.058 -1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.627 11.927 0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.325 12.130 -0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.614 12.869 -2.407 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.902 13.504 -0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.577 13.178 -1.262 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.209 14.834 -1.757 1.00 0.00 H new ATOM 284 N GLN A 19 -16.008 10.153 -0.734 1.00 0.00 N ATOM 285 CA GLN A 19 -17.008 9.469 0.071 1.00 0.00 C ATOM 286 C GLN A 19 -17.194 8.052 -0.443 1.00 0.00 C ATOM 287 O GLN A 19 -17.410 7.118 0.329 1.00 0.00 O ATOM 288 CB GLN A 19 -18.338 10.224 0.033 1.00 0.00 C ATOM 289 CG GLN A 19 -18.244 11.644 0.569 1.00 0.00 C ATOM 290 CD GLN A 19 -19.077 12.624 -0.233 1.00 0.00 C ATOM 291 OE1 GLN A 19 -18.540 13.820 -0.446 1.00 0.00 O flip ATOM 292 NE2 GLN A 19 -20.188 12.310 -0.658 1.00 0.00 N flip ATOM 0 H GLN A 19 -16.386 10.852 -1.374 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.665 9.434 1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -18.700 10.255 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -19.077 9.673 0.615 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -18.572 11.659 1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -17.202 11.964 0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -20.562 11.380 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -20.736 12.980 -1.198 1.00 0.00 H new ATOM 301 N ASP A 20 -17.087 7.901 -1.757 1.00 0.00 N ATOM 302 CA ASP A 20 -17.219 6.597 -2.382 1.00 0.00 C ATOM 303 C ASP A 20 -15.969 5.772 -2.116 1.00 0.00 C ATOM 304 O ASP A 20 -16.015 4.543 -2.065 1.00 0.00 O ATOM 305 CB ASP A 20 -17.441 6.742 -3.890 1.00 0.00 C ATOM 306 CG ASP A 20 -18.700 6.040 -4.361 1.00 0.00 C ATOM 307 OD1 ASP A 20 -19.212 5.177 -3.617 1.00 0.00 O ATOM 308 OD2 ASP A 20 -19.173 6.354 -5.473 1.00 0.00 O ATOM 0 H ASP A 20 -16.909 8.666 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 20 -18.084 6.090 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.502 7.800 -4.145 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.581 6.335 -4.422 1.00 0.00 H new ATOM 313 N SER A 21 -14.852 6.470 -1.931 1.00 0.00 N ATOM 314 CA SER A 21 -13.580 5.822 -1.653 1.00 0.00 C ATOM 315 C SER A 21 -13.587 5.240 -0.247 1.00 0.00 C ATOM 316 O SER A 21 -13.106 4.130 -0.018 1.00 0.00 O ATOM 317 CB SER A 21 -12.431 6.821 -1.804 1.00 0.00 C ATOM 318 OG SER A 21 -11.346 6.485 -0.957 1.00 0.00 O ATOM 0 H SER A 21 -14.805 7.488 -1.969 1.00 0.00 H new ATOM 0 HA SER A 21 -13.435 5.013 -2.369 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.095 6.839 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.784 7.824 -1.566 1.00 0.00 H new ATOM 0 HG SER A 21 -11.477 6.899 -0.078 1.00 0.00 H new ATOM 324 N VAL A 22 -14.148 5.996 0.690 1.00 0.00 N ATOM 325 CA VAL A 22 -14.232 5.556 2.074 1.00 0.00 C ATOM 326 C VAL A 22 -15.142 4.340 2.196 1.00 0.00 C ATOM 327 O VAL A 22 -14.793 3.353 2.844 1.00 0.00 O ATOM 328 CB VAL A 22 -14.763 6.671 2.992 1.00 0.00 C ATOM 329 CG1 VAL A 22 -14.936 6.151 4.409 1.00 0.00 C ATOM 330 CG2 VAL A 22 -13.832 7.874 2.964 1.00 0.00 C ATOM 0 H VAL A 22 -14.551 6.916 0.514 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.221 5.294 2.388 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.738 6.990 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.312 6.951 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.645 5.323 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.975 5.805 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.224 8.652 3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.841 7.575 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.763 8.257 1.946 1.00 0.00 H new ATOM 340 N GLU A 23 -16.309 4.414 1.559 1.00 0.00 N ATOM 341 CA GLU A 23 -17.260 3.311 1.589 1.00 0.00 C ATOM 342 C GLU A 23 -16.613 2.047 1.041 1.00 0.00 C ATOM 343 O GLU A 23 -16.784 0.958 1.590 1.00 0.00 O ATOM 344 CB GLU A 23 -18.512 3.660 0.780 1.00 0.00 C ATOM 345 CG GLU A 23 -19.182 4.950 1.221 1.00 0.00 C ATOM 346 CD GLU A 23 -20.229 5.432 0.236 1.00 0.00 C ATOM 347 OE1 GLU A 23 -20.682 4.616 -0.595 1.00 0.00 O ATOM 348 OE2 GLU A 23 -20.595 6.624 0.293 1.00 0.00 O ATOM 0 H GLU A 23 -16.615 5.223 1.019 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.556 3.135 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.243 3.742 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.228 2.842 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.648 4.798 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -18.424 5.723 1.347 1.00 0.00 H new ATOM 355 N CYS A 24 -15.851 2.203 -0.038 1.00 0.00 N ATOM 356 CA CYS A 24 -15.160 1.076 -0.650 1.00 0.00 C ATOM 357 C CYS A 24 -14.127 0.517 0.320 1.00 0.00 C ATOM 358 O CYS A 24 -13.937 -0.698 0.418 1.00 0.00 O ATOM 359 CB CYS A 24 -14.484 1.507 -1.952 1.00 0.00 C ATOM 360 SG CYS A 24 -15.601 1.588 -3.371 1.00 0.00 S ATOM 0 H CYS A 24 -15.698 3.097 -0.504 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.889 0.299 -0.882 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -14.028 2.486 -1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -13.677 0.810 -2.178 1.00 0.00 H new ATOM 0 HG CYS A 24 -16.181 2.751 -3.401 1.00 0.00 H new ATOM 366 N ALA A 25 -13.488 1.414 1.065 1.00 0.00 N ATOM 367 CA ALA A 25 -12.507 1.014 2.056 1.00 0.00 C ATOM 368 C ALA A 25 -13.235 0.332 3.193 1.00 0.00 C ATOM 369 O ALA A 25 -12.729 -0.600 3.816 1.00 0.00 O ATOM 370 CB ALA A 25 -11.727 2.219 2.559 1.00 0.00 C ATOM 0 H ALA A 25 -13.635 2.421 0.998 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.788 0.326 1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.997 1.896 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.210 2.692 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.414 2.933 3.013 1.00 0.00 H new ATOM 376 N THR A 26 -14.453 0.803 3.423 1.00 0.00 N ATOM 377 CA THR A 26 -15.309 0.251 4.451 1.00 0.00 C ATOM 378 C THR A 26 -15.751 -1.147 4.046 1.00 0.00 C ATOM 379 O THR A 26 -15.826 -2.057 4.871 1.00 0.00 O ATOM 380 CB THR A 26 -16.528 1.147 4.652 1.00 0.00 C ATOM 381 OG1 THR A 26 -16.181 2.512 4.495 1.00 0.00 O ATOM 382 CG2 THR A 26 -17.162 0.988 6.010 1.00 0.00 C ATOM 0 H THR A 26 -14.869 1.575 2.902 1.00 0.00 H new ATOM 0 HA THR A 26 -14.756 0.196 5.389 1.00 0.00 H new ATOM 0 HB THR A 26 -17.246 0.835 3.893 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.877 2.669 3.577 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.023 1.652 6.090 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.486 -0.044 6.141 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.436 1.241 6.782 1.00 0.00 H new ATOM 390 N GLN A 27 -16.029 -1.309 2.755 1.00 0.00 N ATOM 391 CA GLN A 27 -16.449 -2.594 2.219 1.00 0.00 C ATOM 392 C GLN A 27 -15.376 -3.641 2.480 1.00 0.00 C ATOM 393 O GLN A 27 -15.675 -4.777 2.850 1.00 0.00 O ATOM 394 CB GLN A 27 -16.723 -2.484 0.719 1.00 0.00 C ATOM 395 CG GLN A 27 -17.757 -1.428 0.365 1.00 0.00 C ATOM 396 CD GLN A 27 -18.220 -1.525 -1.075 1.00 0.00 C ATOM 397 OE1 GLN A 27 -17.451 -1.281 -2.004 1.00 0.00 O ATOM 398 NE2 GLN A 27 -19.484 -1.883 -1.266 1.00 0.00 N ATOM 0 H GLN A 27 -15.970 -0.563 2.062 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.370 -2.896 2.718 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.790 -2.254 0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.062 -3.451 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -18.617 -1.531 1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.335 -0.438 0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -20.086 -2.076 -0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.853 -1.965 -2.213 1.00 0.00 H new ATOM 407 N ALA A 28 -14.121 -3.240 2.303 1.00 0.00 N ATOM 408 CA ALA A 28 -12.995 -4.133 2.537 1.00 0.00 C ATOM 409 C ALA A 28 -12.798 -4.347 4.030 1.00 0.00 C ATOM 410 O ALA A 28 -12.359 -5.411 4.468 1.00 0.00 O ATOM 411 CB ALA A 28 -11.730 -3.561 1.916 1.00 0.00 C ATOM 0 H ALA A 28 -13.860 -2.302 1.998 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.208 -5.094 2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.896 -4.239 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.873 -3.443 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.513 -2.590 2.362 1.00 0.00 H new ATOM 417 N LEU A 29 -13.126 -3.319 4.807 1.00 0.00 N ATOM 418 CA LEU A 29 -12.990 -3.374 6.253 1.00 0.00 C ATOM 419 C LEU A 29 -14.046 -4.280 6.875 1.00 0.00 C ATOM 420 O LEU A 29 -13.788 -4.963 7.865 1.00 0.00 O ATOM 421 CB LEU A 29 -13.099 -1.973 6.845 1.00 0.00 C ATOM 422 CG LEU A 29 -11.837 -1.126 6.713 1.00 0.00 C ATOM 423 CD1 LEU A 29 -12.185 0.272 6.237 1.00 0.00 C ATOM 424 CD2 LEU A 29 -11.091 -1.071 8.037 1.00 0.00 C ATOM 0 H LEU A 29 -13.490 -2.434 4.454 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.008 -3.789 6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.923 -1.451 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.354 -2.058 7.901 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.185 -1.589 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.274 0.863 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.676 0.214 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.855 0.744 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.194 -0.463 7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.734 -0.631 8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.810 -2.080 8.338 1.00 0.00 H new ATOM 436 N GLU A 30 -15.240 -4.270 6.295 1.00 0.00 N ATOM 437 CA GLU A 30 -16.342 -5.080 6.799 1.00 0.00 C ATOM 438 C GLU A 30 -16.408 -6.431 6.091 1.00 0.00 C ATOM 439 O GLU A 30 -17.127 -7.331 6.524 1.00 0.00 O ATOM 440 CB GLU A 30 -17.664 -4.329 6.627 1.00 0.00 C ATOM 441 CG GLU A 30 -18.064 -3.520 7.849 1.00 0.00 C ATOM 442 CD GLU A 30 -19.554 -3.567 8.118 1.00 0.00 C ATOM 443 OE1 GLU A 30 -20.314 -2.924 7.363 1.00 0.00 O ATOM 444 OE2 GLU A 30 -19.963 -4.247 9.082 1.00 0.00 O ATOM 0 H GLU A 30 -15.470 -3.709 5.475 1.00 0.00 H new ATOM 0 HA GLU A 30 -16.168 -5.266 7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -17.585 -3.661 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.453 -5.046 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.529 -3.897 8.721 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -17.756 -2.484 7.710 1.00 0.00 H new ATOM 451 N LYS A 31 -15.655 -6.571 5.003 1.00 0.00 N ATOM 452 CA LYS A 31 -15.638 -7.817 4.245 1.00 0.00 C ATOM 453 C LYS A 31 -14.460 -8.697 4.655 1.00 0.00 C ATOM 454 O LYS A 31 -14.464 -9.905 4.416 1.00 0.00 O ATOM 455 CB LYS A 31 -15.576 -7.529 2.745 1.00 0.00 C ATOM 456 CG LYS A 31 -16.902 -7.749 2.034 1.00 0.00 C ATOM 457 CD LYS A 31 -16.924 -7.075 0.673 1.00 0.00 C ATOM 458 CE LYS A 31 -18.071 -7.591 -0.180 1.00 0.00 C ATOM 459 NZ LYS A 31 -17.715 -8.854 -0.886 1.00 0.00 N ATOM 0 H LYS A 31 -15.051 -5.839 4.628 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.560 -8.354 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -15.257 -6.498 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.818 -8.167 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.079 -8.818 1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.714 -7.358 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.019 -5.997 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.978 -7.253 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.944 -7.761 0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.349 -6.832 -0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.524 -9.173 -1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.898 -8.686 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.474 -9.586 -0.188 1.00 0.00 H new ATOM 473 N TYR A 32 -13.454 -8.087 5.272 1.00 0.00 N ATOM 474 CA TYR A 32 -12.273 -8.822 5.713 1.00 0.00 C ATOM 475 C TYR A 32 -11.636 -8.156 6.929 1.00 0.00 C ATOM 476 O TYR A 32 -11.565 -8.748 8.007 1.00 0.00 O ATOM 477 CB TYR A 32 -11.253 -8.919 4.577 1.00 0.00 C ATOM 478 CG TYR A 32 -11.860 -8.753 3.202 1.00 0.00 C ATOM 479 CD1 TYR A 32 -12.087 -7.489 2.670 1.00 0.00 C ATOM 480 CD2 TYR A 32 -12.206 -9.860 2.436 1.00 0.00 C ATOM 481 CE1 TYR A 32 -12.643 -7.334 1.414 1.00 0.00 C ATOM 482 CE2 TYR A 32 -12.761 -9.711 1.180 1.00 0.00 C ATOM 483 CZ TYR A 32 -12.978 -8.446 0.673 1.00 0.00 C ATOM 484 OH TYR A 32 -13.531 -8.296 -0.577 1.00 0.00 O ATOM 0 H TYR A 32 -13.432 -7.088 5.478 1.00 0.00 H new ATOM 0 HA TYR A 32 -12.588 -9.826 5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.487 -8.157 4.721 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.754 -9.886 4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.825 -6.614 3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -12.038 -10.852 2.829 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.814 -6.345 1.015 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.024 -10.581 0.597 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.707 -9.179 -0.965 1.00 0.00 H new ATOM 494 N ASN A 33 -11.171 -6.926 6.748 1.00 0.00 N ATOM 495 CA ASN A 33 -10.536 -6.181 7.829 1.00 0.00 C ATOM 496 C ASN A 33 -9.130 -6.710 8.097 1.00 0.00 C ATOM 497 O ASN A 33 -8.833 -7.185 9.194 1.00 0.00 O ATOM 498 CB ASN A 33 -11.379 -6.267 9.102 1.00 0.00 C ATOM 499 CG ASN A 33 -11.274 -5.014 9.949 1.00 0.00 C ATOM 500 OD1 ASN A 33 -10.210 -4.402 10.042 1.00 0.00 O ATOM 501 ND2 ASN A 33 -12.380 -4.625 10.572 1.00 0.00 N ATOM 0 H ASN A 33 -11.222 -6.423 5.862 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.461 -5.137 7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.422 -6.435 8.833 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.059 -7.128 9.689 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.369 -3.789 11.156 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.240 -5.163 10.467 1.00 0.00 H new ATOM 508 N ILE A 34 -8.272 -6.625 7.086 1.00 0.00 N ATOM 509 CA ILE A 34 -6.898 -7.097 7.206 1.00 0.00 C ATOM 510 C ILE A 34 -5.934 -6.162 6.485 1.00 0.00 C ATOM 511 O ILE A 34 -5.207 -6.584 5.587 1.00 0.00 O ATOM 512 CB ILE A 34 -6.741 -8.514 6.623 1.00 0.00 C ATOM 513 CG1 ILE A 34 -7.650 -9.496 7.358 1.00 0.00 C ATOM 514 CG2 ILE A 34 -5.290 -8.965 6.700 1.00 0.00 C ATOM 515 CD1 ILE A 34 -7.296 -9.661 8.815 1.00 0.00 C ATOM 0 H ILE A 34 -8.505 -6.233 6.173 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.661 -7.117 8.270 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.036 -8.491 5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.682 -9.154 7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.597 -10.467 6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.198 -9.968 6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.665 -8.277 6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.966 -8.973 7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.981 -10.372 9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.275 -10.032 8.902 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.377 -8.699 9.320 1.00 0.00 H new ATOM 527 N GLU A 35 -5.932 -4.892 6.879 1.00 0.00 N ATOM 528 CA GLU A 35 -5.054 -3.907 6.259 1.00 0.00 C ATOM 529 C GLU A 35 -4.829 -4.250 4.792 1.00 0.00 C ATOM 530 O GLU A 35 -5.605 -3.856 3.924 1.00 0.00 O ATOM 531 CB GLU A 35 -3.716 -3.851 6.996 1.00 0.00 C ATOM 532 CG GLU A 35 -3.801 -3.188 8.360 1.00 0.00 C ATOM 533 CD GLU A 35 -4.146 -4.168 9.465 1.00 0.00 C ATOM 534 OE1 GLU A 35 -5.350 -4.427 9.675 1.00 0.00 O ATOM 535 OE2 GLU A 35 -3.212 -4.677 10.119 1.00 0.00 O ATOM 0 H GLU A 35 -6.526 -4.523 7.621 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.530 -2.929 6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.335 -4.865 7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.995 -3.310 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.848 -2.710 8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.553 -2.400 8.330 1.00 0.00 H new ATOM 542 N LYS A 36 -3.770 -5.006 4.526 1.00 0.00 N ATOM 543 CA LYS A 36 -3.452 -5.422 3.167 1.00 0.00 C ATOM 544 C LYS A 36 -4.715 -5.883 2.448 1.00 0.00 C ATOM 545 O LYS A 36 -5.043 -5.392 1.368 1.00 0.00 O ATOM 546 CB LYS A 36 -2.419 -6.553 3.186 1.00 0.00 C ATOM 547 CG LYS A 36 -1.841 -6.831 4.566 1.00 0.00 C ATOM 548 CD LYS A 36 -1.049 -5.643 5.088 1.00 0.00 C ATOM 549 CE LYS A 36 0.285 -6.077 5.673 1.00 0.00 C ATOM 550 NZ LYS A 36 1.401 -5.899 4.703 1.00 0.00 N ATOM 0 H LYS A 36 -3.118 -5.343 5.234 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.032 -4.570 2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.883 -7.463 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.606 -6.302 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.649 -7.064 5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.196 -7.708 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.879 -4.934 4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.630 -5.123 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.491 -5.499 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.227 -7.124 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.293 -6.206 5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.217 -6.470 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.473 -4.896 4.437 1.00 0.00 H new ATOM 564 N ASP A 37 -5.421 -6.826 3.063 1.00 0.00 N ATOM 565 CA ASP A 37 -6.654 -7.355 2.495 1.00 0.00 C ATOM 566 C ASP A 37 -7.618 -6.228 2.137 1.00 0.00 C ATOM 567 O ASP A 37 -8.024 -6.089 0.984 1.00 0.00 O ATOM 568 CB ASP A 37 -7.318 -8.317 3.484 1.00 0.00 C ATOM 569 CG ASP A 37 -7.561 -9.687 2.884 1.00 0.00 C ATOM 570 OD1 ASP A 37 -6.592 -10.300 2.392 1.00 0.00 O ATOM 571 OD2 ASP A 37 -8.722 -10.148 2.909 1.00 0.00 O ATOM 0 H ASP A 37 -5.159 -7.240 3.957 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.404 -7.895 1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.688 -8.417 4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.267 -7.895 3.815 1.00 0.00 H new ATOM 576 N ILE A 38 -7.979 -5.424 3.133 1.00 0.00 N ATOM 577 CA ILE A 38 -8.893 -4.307 2.920 1.00 0.00 C ATOM 578 C ILE A 38 -8.473 -3.483 1.709 1.00 0.00 C ATOM 579 O ILE A 38 -9.306 -3.092 0.891 1.00 0.00 O ATOM 580 CB ILE A 38 -8.959 -3.389 4.157 1.00 0.00 C ATOM 581 CG1 ILE A 38 -9.494 -4.160 5.365 1.00 0.00 C ATOM 582 CG2 ILE A 38 -9.828 -2.173 3.873 1.00 0.00 C ATOM 583 CD1 ILE A 38 -8.993 -3.628 6.691 1.00 0.00 C ATOM 0 H ILE A 38 -7.653 -5.525 4.094 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.881 -4.733 2.744 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.951 -3.044 4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.583 -4.123 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.210 -5.208 5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.863 -1.536 4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.407 -1.612 3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.837 -2.498 3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.412 -4.222 7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.905 -3.690 6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.300 -2.589 6.806 1.00 0.00 H new ATOM 595 N ALA A 39 -7.173 -3.224 1.597 1.00 0.00 N ATOM 596 CA ALA A 39 -6.644 -2.451 0.480 1.00 0.00 C ATOM 597 C ALA A 39 -6.907 -3.163 -0.843 1.00 0.00 C ATOM 598 O ALA A 39 -7.416 -2.564 -1.792 1.00 0.00 O ATOM 599 CB ALA A 39 -5.155 -2.206 0.667 1.00 0.00 C ATOM 0 H ALA A 39 -6.469 -3.538 2.265 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.155 -1.489 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.773 -1.628 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.991 -1.653 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.633 -3.161 0.718 1.00 0.00 H new ATOM 605 N ALA A 40 -6.563 -4.446 -0.894 1.00 0.00 N ATOM 606 CA ALA A 40 -6.769 -5.246 -2.095 1.00 0.00 C ATOM 607 C ALA A 40 -8.216 -5.158 -2.561 1.00 0.00 C ATOM 608 O ALA A 40 -8.491 -4.970 -3.746 1.00 0.00 O ATOM 609 CB ALA A 40 -6.388 -6.695 -1.831 1.00 0.00 C ATOM 0 H ALA A 40 -6.140 -4.954 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.131 -4.851 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.546 -7.283 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.338 -6.748 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.006 -7.093 -1.026 1.00 0.00 H new ATOM 615 N HIS A 41 -9.136 -5.294 -1.614 1.00 0.00 N ATOM 616 CA HIS A 41 -10.563 -5.230 -1.905 1.00 0.00 C ATOM 617 C HIS A 41 -10.916 -3.905 -2.576 1.00 0.00 C ATOM 618 O HIS A 41 -11.445 -3.879 -3.686 1.00 0.00 O ATOM 619 CB HIS A 41 -11.364 -5.413 -0.607 1.00 0.00 C ATOM 620 CG HIS A 41 -12.725 -4.783 -0.618 1.00 0.00 C ATOM 621 ND1 HIS A 41 -13.884 -5.489 -0.374 1.00 0.00 N ATOM 622 CD2 HIS A 41 -13.109 -3.502 -0.837 1.00 0.00 C ATOM 623 CE1 HIS A 41 -14.920 -4.672 -0.442 1.00 0.00 C ATOM 624 NE2 HIS A 41 -14.476 -3.461 -0.721 1.00 0.00 N ATOM 0 H HIS A 41 -8.917 -5.451 -0.630 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.821 -6.034 -2.595 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.474 -6.480 -0.411 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.791 -4.994 0.220 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -13.934 -6.488 -0.172 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.460 -2.668 -1.061 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -15.954 -4.948 -0.294 1.00 0.00 H new ATOM 633 N ILE A 42 -10.618 -2.807 -1.888 1.00 0.00 N ATOM 634 CA ILE A 42 -10.902 -1.475 -2.406 1.00 0.00 C ATOM 635 C ILE A 42 -10.371 -1.306 -3.825 1.00 0.00 C ATOM 636 O ILE A 42 -11.138 -1.304 -4.788 1.00 0.00 O ATOM 637 CB ILE A 42 -10.291 -0.383 -1.509 1.00 0.00 C ATOM 638 CG1 ILE A 42 -10.847 -0.494 -0.088 1.00 0.00 C ATOM 639 CG2 ILE A 42 -10.567 0.996 -2.087 1.00 0.00 C ATOM 640 CD1 ILE A 42 -9.825 -0.195 0.988 1.00 0.00 C ATOM 0 H ILE A 42 -10.179 -2.815 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 42 -11.987 -1.367 -2.414 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.211 -0.526 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.687 0.193 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.237 -1.501 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.128 1.756 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.128 1.068 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.643 1.154 -2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.290 -0.293 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.996 -0.898 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.452 0.822 0.863 1.00 0.00 H new ATOM 652 N LYS A 43 -9.055 -1.160 -3.950 1.00 0.00 N ATOM 653 CA LYS A 43 -8.429 -0.985 -5.255 1.00 0.00 C ATOM 654 C LYS A 43 -9.097 -1.872 -6.299 1.00 0.00 C ATOM 655 O LYS A 43 -9.314 -1.454 -7.436 1.00 0.00 O ATOM 656 CB LYS A 43 -6.936 -1.306 -5.183 1.00 0.00 C ATOM 657 CG LYS A 43 -6.282 -1.443 -6.548 1.00 0.00 C ATOM 658 CD LYS A 43 -4.782 -1.652 -6.431 1.00 0.00 C ATOM 659 CE LYS A 43 -4.309 -2.796 -7.313 1.00 0.00 C ATOM 660 NZ LYS A 43 -3.217 -2.373 -8.232 1.00 0.00 N ATOM 0 H LYS A 43 -8.404 -1.159 -3.165 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.553 0.057 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.429 -0.520 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.798 -2.233 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.726 -2.283 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.480 -0.549 -7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.263 -0.736 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.522 -1.860 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.959 -3.617 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.148 -3.176 -7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.785 -3.213 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.607 -1.759 -8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.495 -1.851 -7.696 1.00 0.00 H new ATOM 674 N LYS A 44 -9.419 -3.099 -5.905 1.00 0.00 N ATOM 675 CA LYS A 44 -10.061 -4.048 -6.804 1.00 0.00 C ATOM 676 C LYS A 44 -11.314 -3.447 -7.430 1.00 0.00 C ATOM 677 O LYS A 44 -11.398 -3.285 -8.648 1.00 0.00 O ATOM 678 CB LYS A 44 -10.421 -5.329 -6.051 1.00 0.00 C ATOM 679 CG LYS A 44 -10.368 -6.577 -6.913 1.00 0.00 C ATOM 680 CD LYS A 44 -9.297 -7.540 -6.431 1.00 0.00 C ATOM 681 CE LYS A 44 -9.440 -8.905 -7.081 1.00 0.00 C ATOM 682 NZ LYS A 44 -10.857 -9.210 -7.423 1.00 0.00 N ATOM 0 H LYS A 44 -9.245 -3.459 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.357 -4.285 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.739 -5.450 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.424 -5.227 -5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.339 -7.073 -6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.169 -6.298 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.312 -7.131 -6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.361 -7.644 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.832 -8.942 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.056 -9.671 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.939 -10.207 -7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.460 -9.034 -6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.163 -8.601 -8.209 1.00 0.00 H new ATOM 696 N GLU A 45 -12.282 -3.118 -6.587 1.00 0.00 N ATOM 697 CA GLU A 45 -13.535 -2.534 -7.051 1.00 0.00 C ATOM 698 C GLU A 45 -13.285 -1.213 -7.771 1.00 0.00 C ATOM 699 O GLU A 45 -13.630 -1.057 -8.943 1.00 0.00 O ATOM 700 CB GLU A 45 -14.485 -2.319 -5.872 1.00 0.00 C ATOM 701 CG GLU A 45 -14.305 -3.337 -4.756 1.00 0.00 C ATOM 702 CD GLU A 45 -15.622 -3.899 -4.261 1.00 0.00 C ATOM 703 OE1 GLU A 45 -16.342 -4.526 -5.066 1.00 0.00 O ATOM 704 OE2 GLU A 45 -15.935 -3.711 -3.066 1.00 0.00 O ATOM 0 H GLU A 45 -12.225 -3.245 -5.577 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.994 -3.227 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.331 -1.318 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.513 -2.363 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.677 -4.154 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.778 -2.869 -3.924 1.00 0.00 H new ATOM 711 N PHE A 46 -12.680 -0.265 -7.065 1.00 0.00 N ATOM 712 CA PHE A 46 -12.379 1.042 -7.637 1.00 0.00 C ATOM 713 C PHE A 46 -11.851 0.900 -9.060 1.00 0.00 C ATOM 714 O PHE A 46 -12.166 1.706 -9.935 1.00 0.00 O ATOM 715 CB PHE A 46 -11.352 1.777 -6.775 1.00 0.00 C ATOM 716 CG PHE A 46 -11.932 2.910 -5.980 1.00 0.00 C ATOM 717 CD1 PHE A 46 -12.150 4.146 -6.567 1.00 0.00 C ATOM 718 CD2 PHE A 46 -12.255 2.740 -4.645 1.00 0.00 C ATOM 719 CE1 PHE A 46 -12.678 5.192 -5.836 1.00 0.00 C ATOM 720 CE2 PHE A 46 -12.784 3.782 -3.908 1.00 0.00 C ATOM 721 CZ PHE A 46 -12.995 5.010 -4.505 1.00 0.00 C ATOM 0 H PHE A 46 -12.388 -0.377 -6.094 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.302 1.621 -7.663 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.888 1.065 -6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.561 2.163 -7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.904 4.293 -7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.092 1.782 -4.174 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -12.843 6.151 -6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -13.032 3.637 -2.867 1.00 0.00 H new ATOM 0 HZ PHE A 46 -13.407 5.827 -3.931 1.00 0.00 H new ATOM 731 N ASP A 47 -11.044 -0.132 -9.281 1.00 0.00 N ATOM 732 CA ASP A 47 -10.466 -0.384 -10.594 1.00 0.00 C ATOM 733 C ASP A 47 -11.540 -0.828 -11.584 1.00 0.00 C ATOM 734 O ASP A 47 -11.569 -0.375 -12.727 1.00 0.00 O ATOM 735 CB ASP A 47 -9.357 -1.440 -10.487 1.00 0.00 C ATOM 736 CG ASP A 47 -9.495 -2.554 -11.509 1.00 0.00 C ATOM 737 OD1 ASP A 47 -10.527 -3.259 -11.483 1.00 0.00 O ATOM 738 OD2 ASP A 47 -8.572 -2.723 -12.332 1.00 0.00 O ATOM 0 H ASP A 47 -10.776 -0.808 -8.566 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.031 0.544 -10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.389 -0.956 -10.615 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.369 -1.870 -9.486 1.00 0.00 H new ATOM 743 N LYS A 48 -12.418 -1.720 -11.141 1.00 0.00 N ATOM 744 CA LYS A 48 -13.487 -2.222 -11.995 1.00 0.00 C ATOM 745 C LYS A 48 -14.784 -1.451 -11.771 1.00 0.00 C ATOM 746 O LYS A 48 -15.840 -1.842 -12.264 1.00 0.00 O ATOM 747 CB LYS A 48 -13.720 -3.710 -11.731 1.00 0.00 C ATOM 748 CG LYS A 48 -12.713 -4.615 -12.422 1.00 0.00 C ATOM 749 CD LYS A 48 -13.156 -4.964 -13.832 1.00 0.00 C ATOM 750 CE LYS A 48 -13.155 -3.741 -14.733 1.00 0.00 C ATOM 751 NZ LYS A 48 -12.024 -3.765 -15.700 1.00 0.00 N ATOM 0 H LYS A 48 -12.411 -2.109 -10.198 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.179 -2.081 -13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.681 -3.890 -10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.723 -3.977 -12.063 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.742 -4.121 -12.456 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.586 -5.529 -11.842 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.492 -5.723 -14.246 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.156 -5.396 -13.804 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.098 -3.691 -15.278 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.092 -2.840 -14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.059 -2.914 -16.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.123 -3.787 -15.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.098 -4.611 -16.300 1.00 0.00 H new ATOM 765 N LYS A 49 -14.698 -0.357 -11.024 1.00 0.00 N ATOM 766 CA LYS A 49 -15.869 0.461 -10.738 1.00 0.00 C ATOM 767 C LYS A 49 -15.596 1.932 -11.030 1.00 0.00 C ATOM 768 O LYS A 49 -16.497 2.768 -10.944 1.00 0.00 O ATOM 769 CB LYS A 49 -16.291 0.289 -9.278 1.00 0.00 C ATOM 770 CG LYS A 49 -17.718 -0.206 -9.112 1.00 0.00 C ATOM 771 CD LYS A 49 -18.457 0.574 -8.037 1.00 0.00 C ATOM 772 CE LYS A 49 -17.728 0.515 -6.704 1.00 0.00 C ATOM 773 NZ LYS A 49 -18.535 -0.171 -5.658 1.00 0.00 N ATOM 0 H LYS A 49 -13.832 -0.017 -10.607 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.679 0.128 -11.387 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.613 -0.413 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.184 1.243 -8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.249 -0.114 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.709 -1.265 -8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.564 1.613 -8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.463 0.171 -7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.780 -0.008 -6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.492 1.527 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.002 -0.190 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.429 0.342 -5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.739 -1.145 -5.960 1.00 0.00 H new ATOM 787 N TYR A 50 -14.352 2.245 -11.372 1.00 0.00 N ATOM 788 CA TYR A 50 -13.969 3.619 -11.670 1.00 0.00 C ATOM 789 C TYR A 50 -13.042 3.684 -12.881 1.00 0.00 C ATOM 790 O TYR A 50 -13.376 4.293 -13.897 1.00 0.00 O ATOM 791 CB TYR A 50 -13.282 4.251 -10.458 1.00 0.00 C ATOM 792 CG TYR A 50 -14.179 4.373 -9.247 1.00 0.00 C ATOM 793 CD1 TYR A 50 -14.409 3.284 -8.416 1.00 0.00 C ATOM 794 CD2 TYR A 50 -14.797 5.577 -8.936 1.00 0.00 C ATOM 795 CE1 TYR A 50 -15.227 3.392 -7.307 1.00 0.00 C ATOM 796 CE2 TYR A 50 -15.617 5.694 -7.829 1.00 0.00 C ATOM 797 CZ TYR A 50 -15.829 4.598 -7.019 1.00 0.00 C ATOM 798 OH TYR A 50 -16.646 4.710 -5.917 1.00 0.00 O ATOM 0 H TYR A 50 -13.593 1.568 -11.450 1.00 0.00 H new ATOM 0 HA TYR A 50 -14.876 4.176 -11.903 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.409 3.654 -10.194 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.920 5.242 -10.732 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.941 2.337 -8.640 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -14.634 6.436 -9.569 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.394 2.536 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -16.089 6.638 -7.600 1.00 0.00 H new ATOM 0 HH TYR A 50 -16.346 4.086 -5.223 1.00 0.00 H new ATOM 808 N ASN A 51 -11.877 3.052 -12.757 1.00 0.00 N ATOM 809 CA ASN A 51 -10.885 3.032 -13.829 1.00 0.00 C ATOM 810 C ASN A 51 -9.503 2.719 -13.263 1.00 0.00 C ATOM 811 O ASN A 51 -8.911 3.542 -12.563 1.00 0.00 O ATOM 812 CB ASN A 51 -10.852 4.373 -14.563 1.00 0.00 C ATOM 813 CG ASN A 51 -11.336 4.258 -15.995 1.00 0.00 C ATOM 814 OD1 ASN A 51 -10.434 3.889 -16.896 1.00 0.00 O flip ATOM 815 ND2 ASN A 51 -12.508 4.495 -16.287 1.00 0.00 N flip ATOM 0 H ASN A 51 -11.596 2.544 -11.919 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.167 2.254 -14.538 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.473 5.092 -14.029 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.834 4.763 -14.556 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.168 4.776 -15.561 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.820 4.410 -17.255 1.00 0.00 H new ATOM 822 N PRO A 52 -8.969 1.520 -13.551 1.00 0.00 N ATOM 823 CA PRO A 52 -7.653 1.107 -13.055 1.00 0.00 C ATOM 824 C PRO A 52 -6.549 2.108 -13.403 1.00 0.00 C ATOM 825 O PRO A 52 -6.617 2.773 -14.437 1.00 0.00 O ATOM 826 CB PRO A 52 -7.407 -0.227 -13.760 1.00 0.00 C ATOM 827 CG PRO A 52 -8.766 -0.741 -14.072 1.00 0.00 C ATOM 828 CD PRO A 52 -9.600 0.470 -14.372 1.00 0.00 C ATOM 0 HA PRO A 52 -7.637 1.040 -11.967 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.816 -0.094 -14.666 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.859 -0.918 -13.120 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.741 -1.420 -14.924 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.176 -1.300 -13.231 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.580 0.721 -15.433 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.644 0.318 -14.100 1.00 0.00 H new ATOM 836 N THR A 53 -5.525 2.219 -12.541 1.00 0.00 N ATOM 837 CA THR A 53 -5.434 1.433 -11.310 1.00 0.00 C ATOM 838 C THR A 53 -5.455 2.341 -10.088 1.00 0.00 C ATOM 839 O THR A 53 -4.913 3.446 -10.113 1.00 0.00 O ATOM 840 CB THR A 53 -4.164 0.583 -11.306 1.00 0.00 C ATOM 841 OG1 THR A 53 -3.639 0.475 -9.994 1.00 0.00 O ATOM 842 CG2 THR A 53 -3.069 1.134 -12.193 1.00 0.00 C ATOM 0 H THR A 53 -4.741 2.856 -12.682 1.00 0.00 H new ATOM 0 HA THR A 53 -6.299 0.771 -11.269 1.00 0.00 H new ATOM 0 HB THR A 53 -4.467 -0.389 -11.694 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.304 0.056 -9.409 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.197 0.482 -12.143 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.425 1.185 -13.222 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.795 2.133 -11.854 1.00 0.00 H new ATOM 850 N TRP A 54 -6.090 1.873 -9.020 1.00 0.00 N ATOM 851 CA TRP A 54 -6.186 2.650 -7.790 1.00 0.00 C ATOM 852 C TRP A 54 -5.181 2.172 -6.747 1.00 0.00 C ATOM 853 O TRP A 54 -5.278 1.053 -6.243 1.00 0.00 O ATOM 854 CB TRP A 54 -7.602 2.565 -7.220 1.00 0.00 C ATOM 855 CG TRP A 54 -8.638 3.167 -8.117 1.00 0.00 C ATOM 856 CD1 TRP A 54 -9.179 2.602 -9.233 1.00 0.00 C ATOM 857 CD2 TRP A 54 -9.255 4.452 -7.975 1.00 0.00 C ATOM 858 NE1 TRP A 54 -10.094 3.456 -9.798 1.00 0.00 N ATOM 859 CE2 TRP A 54 -10.160 4.599 -9.043 1.00 0.00 C ATOM 860 CE3 TRP A 54 -9.131 5.492 -7.049 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -10.936 5.743 -9.209 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -9.902 6.628 -7.215 1.00 0.00 C ATOM 863 CH2 TRP A 54 -10.794 6.746 -8.288 1.00 0.00 C ATOM 0 H TRP A 54 -6.545 0.961 -8.981 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.954 3.687 -8.035 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.851 1.519 -7.039 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.629 3.071 -6.255 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.925 1.625 -9.617 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.636 3.270 -10.642 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.445 5.410 -6.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.626 5.836 -10.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.815 7.437 -6.505 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.382 7.646 -8.391 1.00 0.00 H new ATOM 874 N HIS A 55 -4.230 3.038 -6.412 1.00 0.00 N ATOM 875 CA HIS A 55 -3.224 2.716 -5.410 1.00 0.00 C ATOM 876 C HIS A 55 -3.761 3.056 -4.026 1.00 0.00 C ATOM 877 O HIS A 55 -3.647 4.193 -3.568 1.00 0.00 O ATOM 878 CB HIS A 55 -1.928 3.489 -5.677 1.00 0.00 C ATOM 879 CG HIS A 55 -1.593 3.636 -7.131 1.00 0.00 C ATOM 880 ND1 HIS A 55 -2.493 3.382 -8.145 1.00 0.00 N ATOM 881 CD2 HIS A 55 -0.445 4.019 -7.737 1.00 0.00 C ATOM 882 CE1 HIS A 55 -1.913 3.601 -9.310 1.00 0.00 C ATOM 883 NE2 HIS A 55 -0.671 3.990 -9.092 1.00 0.00 N ATOM 0 H HIS A 55 -4.136 3.968 -6.821 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.002 1.650 -5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.010 4.481 -5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.104 2.981 -5.175 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.477 4.296 -7.247 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.376 3.482 -10.278 1.00 0.00 H new ATOM 0 HE2 HIS A 55 0.010 4.230 -9.812 1.00 0.00 H new ATOM 892 N CYS A 56 -4.375 2.075 -3.374 1.00 0.00 N ATOM 893 CA CYS A 56 -4.960 2.293 -2.055 1.00 0.00 C ATOM 894 C CYS A 56 -4.143 1.641 -0.945 1.00 0.00 C ATOM 895 O CYS A 56 -3.584 0.557 -1.116 1.00 0.00 O ATOM 896 CB CYS A 56 -6.392 1.758 -2.022 1.00 0.00 C ATOM 897 SG CYS A 56 -7.193 1.688 -3.641 1.00 0.00 S ATOM 0 H CYS A 56 -4.481 1.126 -3.734 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.960 3.368 -1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.385 0.758 -1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.988 2.387 -1.361 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.311 1.390 -4.549 1.00 0.00 H new ATOM 903 N ILE A 57 -4.101 2.314 0.201 1.00 0.00 N ATOM 904 CA ILE A 57 -3.380 1.818 1.370 1.00 0.00 C ATOM 905 C ILE A 57 -4.249 1.931 2.615 1.00 0.00 C ATOM 906 O ILE A 57 -4.486 3.029 3.119 1.00 0.00 O ATOM 907 CB ILE A 57 -2.066 2.591 1.608 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.305 2.776 0.294 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.205 1.866 2.634 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.106 1.489 -0.476 1.00 0.00 C ATOM 0 H ILE A 57 -4.562 3.212 0.346 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.137 0.774 1.174 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.310 3.579 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.846 3.485 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.331 3.217 0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.281 2.422 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.748 1.789 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.969 0.866 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.559 1.696 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.538 0.785 0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.077 1.057 -0.720 1.00 0.00 H new ATOM 922 N VAL A 58 -4.731 0.795 3.103 1.00 0.00 N ATOM 923 CA VAL A 58 -5.582 0.777 4.284 1.00 0.00 C ATOM 924 C VAL A 58 -4.844 0.220 5.495 1.00 0.00 C ATOM 925 O VAL A 58 -4.234 -0.847 5.429 1.00 0.00 O ATOM 926 CB VAL A 58 -6.856 -0.051 4.046 1.00 0.00 C ATOM 927 CG1 VAL A 58 -6.503 -1.421 3.498 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.664 -0.172 5.330 1.00 0.00 C ATOM 0 H VAL A 58 -4.547 -0.124 2.700 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.861 1.812 4.483 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.470 0.464 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.416 -1.994 3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.972 -1.309 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.868 -1.946 4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.561 -0.761 5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.062 -0.663 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.949 0.822 5.676 1.00 0.00 H new ATOM 938 N GLY A 59 -4.909 0.953 6.601 1.00 0.00 N ATOM 939 CA GLY A 59 -4.250 0.527 7.817 1.00 0.00 C ATOM 940 C GLY A 59 -4.902 1.112 9.052 1.00 0.00 C ATOM 941 O GLY A 59 -6.113 0.987 9.239 1.00 0.00 O ATOM 0 H GLY A 59 -5.410 1.839 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.270 -0.561 7.878 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.202 0.825 7.785 1.00 0.00 H new ATOM 945 N ARG A 60 -4.104 1.752 9.899 1.00 0.00 N ATOM 946 CA ARG A 60 -4.618 2.352 11.116 1.00 0.00 C ATOM 947 C ARG A 60 -3.657 3.404 11.662 1.00 0.00 C ATOM 948 O ARG A 60 -4.043 4.550 11.892 1.00 0.00 O ATOM 949 CB ARG A 60 -4.858 1.270 12.161 1.00 0.00 C ATOM 950 CG ARG A 60 -3.931 0.074 12.026 1.00 0.00 C ATOM 951 CD ARG A 60 -4.672 -1.233 12.262 1.00 0.00 C ATOM 952 NE ARG A 60 -3.774 -2.299 12.699 1.00 0.00 N ATOM 953 CZ ARG A 60 -3.561 -2.605 13.975 1.00 0.00 C ATOM 954 NH1 ARG A 60 -4.189 -1.939 14.934 1.00 0.00 N ATOM 955 NH2 ARG A 60 -2.722 -3.582 14.293 1.00 0.00 N ATOM 0 H ARG A 60 -3.100 1.867 9.762 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.560 2.847 10.882 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.736 1.703 13.154 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.890 0.928 12.087 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.486 0.067 11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.113 0.164 12.740 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.446 -1.080 13.014 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.175 -1.536 11.343 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.283 -2.838 11.986 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.838 -1.189 14.694 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.023 -2.176 15.912 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.240 -4.099 13.558 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.559 -3.816 15.272 1.00 0.00 H new ATOM 969 N ASN A 61 -2.405 3.009 11.872 1.00 0.00 N ATOM 970 CA ASN A 61 -1.396 3.923 12.396 1.00 0.00 C ATOM 971 C ASN A 61 -0.122 3.873 11.558 1.00 0.00 C ATOM 972 O ASN A 61 0.922 3.417 12.028 1.00 0.00 O ATOM 973 CB ASN A 61 -1.076 3.580 13.851 1.00 0.00 C ATOM 974 CG ASN A 61 -1.526 4.661 14.816 1.00 0.00 C ATOM 975 OD1 ASN A 61 -2.208 5.675 14.294 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 -1.264 4.586 16.016 1.00 0.00 N flip ATOM 0 H ASN A 61 -2.066 2.065 11.688 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.800 4.934 12.346 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.559 2.639 14.114 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.002 3.427 13.957 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.738 3.789 16.374 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.573 5.321 16.652 1.00 0.00 H new ATOM 983 N PHE A 62 -0.210 4.344 10.318 1.00 0.00 N ATOM 984 CA PHE A 62 0.938 4.353 9.422 1.00 0.00 C ATOM 985 C PHE A 62 1.234 5.768 8.932 1.00 0.00 C ATOM 986 O PHE A 62 0.723 6.745 9.478 1.00 0.00 O ATOM 987 CB PHE A 62 0.682 3.431 8.229 1.00 0.00 C ATOM 988 CG PHE A 62 -0.475 3.865 7.377 1.00 0.00 C ATOM 989 CD1 PHE A 62 -1.748 3.967 7.916 1.00 0.00 C ATOM 990 CD2 PHE A 62 -0.292 4.171 6.039 1.00 0.00 C ATOM 991 CE1 PHE A 62 -2.815 4.368 7.135 1.00 0.00 C ATOM 992 CE2 PHE A 62 -1.356 4.572 5.253 1.00 0.00 C ATOM 993 CZ PHE A 62 -2.618 4.671 5.802 1.00 0.00 C ATOM 0 H PHE A 62 -1.065 4.724 9.912 1.00 0.00 H new ATOM 0 HA PHE A 62 1.805 3.991 9.975 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.581 3.388 7.614 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.496 2.421 8.593 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.908 3.730 8.958 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.694 4.095 5.604 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.802 4.444 7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.200 4.807 4.211 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.451 4.985 5.190 1.00 0.00 H new ATOM 1003 N GLY A 63 2.063 5.865 7.899 1.00 0.00 N ATOM 1004 CA GLY A 63 2.418 7.159 7.344 1.00 0.00 C ATOM 1005 C GLY A 63 2.436 7.142 5.828 1.00 0.00 C ATOM 1006 O GLY A 63 3.500 7.117 5.211 1.00 0.00 O ATOM 0 H GLY A 63 2.497 5.068 7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.707 7.909 7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.399 7.456 7.715 1.00 0.00 H new ATOM 1010 N SER A 64 1.250 7.146 5.230 1.00 0.00 N ATOM 1011 CA SER A 64 1.123 7.121 3.778 1.00 0.00 C ATOM 1012 C SER A 64 1.626 8.422 3.158 1.00 0.00 C ATOM 1013 O SER A 64 1.290 9.512 3.620 1.00 0.00 O ATOM 1014 CB SER A 64 -0.335 6.885 3.379 1.00 0.00 C ATOM 1015 OG SER A 64 -1.181 7.887 3.917 1.00 0.00 O ATOM 0 H SER A 64 0.361 7.166 5.730 1.00 0.00 H new ATOM 0 HA SER A 64 1.737 6.303 3.401 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.421 6.877 2.292 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.657 5.905 3.731 1.00 0.00 H new ATOM 0 HG SER A 64 -1.817 7.478 4.540 1.00 0.00 H new ATOM 1021 N TYR A 65 2.429 8.297 2.105 1.00 0.00 N ATOM 1022 CA TYR A 65 2.974 9.461 1.416 1.00 0.00 C ATOM 1023 C TYR A 65 3.235 9.150 -0.055 1.00 0.00 C ATOM 1024 O TYR A 65 4.371 8.892 -0.455 1.00 0.00 O ATOM 1025 CB TYR A 65 4.268 9.925 2.089 1.00 0.00 C ATOM 1026 CG TYR A 65 4.615 11.366 1.794 1.00 0.00 C ATOM 1027 CD1 TYR A 65 4.148 12.394 2.605 1.00 0.00 C ATOM 1028 CD2 TYR A 65 5.408 11.701 0.704 1.00 0.00 C ATOM 1029 CE1 TYR A 65 4.460 13.713 2.336 1.00 0.00 C ATOM 1030 CE2 TYR A 65 5.724 13.018 0.427 1.00 0.00 C ATOM 1031 CZ TYR A 65 5.248 14.020 1.246 1.00 0.00 C ATOM 1032 OH TYR A 65 5.559 15.332 0.974 1.00 0.00 O ATOM 0 H TYR A 65 2.716 7.401 1.711 1.00 0.00 H new ATOM 0 HA TYR A 65 2.237 10.262 1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.175 9.795 3.167 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.089 9.287 1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.531 12.158 3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.784 10.919 0.061 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.089 14.500 2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.340 13.261 -0.426 1.00 0.00 H new ATOM 0 HH TYR A 65 6.122 15.375 0.173 1.00 0.00 H new ATOM 1042 N VAL A 66 2.174 9.180 -0.856 1.00 0.00 N ATOM 1043 CA VAL A 66 2.285 8.903 -2.283 1.00 0.00 C ATOM 1044 C VAL A 66 2.060 10.167 -3.105 1.00 0.00 C ATOM 1045 O VAL A 66 1.759 11.229 -2.561 1.00 0.00 O ATOM 1046 CB VAL A 66 1.275 7.830 -2.729 1.00 0.00 C ATOM 1047 CG1 VAL A 66 1.462 6.552 -1.925 1.00 0.00 C ATOM 1048 CG2 VAL A 66 -0.149 8.349 -2.594 1.00 0.00 C ATOM 0 H VAL A 66 1.228 9.393 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 66 3.296 8.533 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 66 1.457 7.601 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.739 5.806 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.472 6.171 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.309 6.762 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.849 7.577 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.345 8.608 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.274 9.234 -3.218 1.00 0.00 H new ATOM 1058 N THR A 67 2.206 10.045 -4.421 1.00 0.00 N ATOM 1059 CA THR A 67 2.015 11.178 -5.318 1.00 0.00 C ATOM 1060 C THR A 67 0.710 11.040 -6.096 1.00 0.00 C ATOM 1061 O THR A 67 0.592 10.194 -6.982 1.00 0.00 O ATOM 1062 CB THR A 67 3.192 11.292 -6.287 1.00 0.00 C ATOM 1063 OG1 THR A 67 4.391 11.577 -5.588 1.00 0.00 O ATOM 1064 CG2 THR A 67 3.005 12.369 -7.333 1.00 0.00 C ATOM 0 H THR A 67 2.456 9.174 -4.889 1.00 0.00 H new ATOM 0 HA THR A 67 1.963 12.084 -4.714 1.00 0.00 H new ATOM 0 HB THR A 67 3.246 10.326 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.907 10.752 -5.473 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.876 12.396 -7.987 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.115 12.152 -7.923 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.889 13.336 -6.843 1.00 0.00 H new ATOM 1072 N HIS A 68 -0.266 11.877 -5.759 1.00 0.00 N ATOM 1073 CA HIS A 68 -1.562 11.847 -6.429 1.00 0.00 C ATOM 1074 C HIS A 68 -1.403 12.063 -7.930 1.00 0.00 C ATOM 1075 O HIS A 68 -0.410 12.630 -8.384 1.00 0.00 O ATOM 1076 CB HIS A 68 -2.487 12.916 -5.844 1.00 0.00 C ATOM 1077 CG HIS A 68 -1.864 14.276 -5.781 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -0.505 14.487 -5.887 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -2.422 15.501 -5.623 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -0.253 15.781 -5.797 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -1.398 16.417 -5.637 1.00 0.00 N ATOM 0 H HIS A 68 -0.185 12.583 -5.027 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.005 10.864 -6.266 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.395 12.968 -6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.787 12.616 -4.840 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.474 15.717 -5.508 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.723 16.240 -5.846 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.506 17.427 -5.539 1.00 0.00 H new ATOM 1090 N GLU A 69 -2.390 11.610 -8.696 1.00 0.00 N ATOM 1091 CA GLU A 69 -2.358 11.756 -10.147 1.00 0.00 C ATOM 1092 C GLU A 69 -3.722 12.188 -10.682 1.00 0.00 C ATOM 1093 O GLU A 69 -4.274 13.197 -10.248 1.00 0.00 O ATOM 1094 CB GLU A 69 -1.923 10.443 -10.804 1.00 0.00 C ATOM 1095 CG GLU A 69 -0.540 9.979 -10.377 1.00 0.00 C ATOM 1096 CD GLU A 69 0.511 10.237 -11.439 1.00 0.00 C ATOM 1097 OE1 GLU A 69 0.146 10.712 -12.534 1.00 0.00 O ATOM 1098 OE2 GLU A 69 1.701 9.963 -11.174 1.00 0.00 O ATOM 0 H GLU A 69 -3.221 11.139 -8.337 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.633 12.531 -10.395 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.649 9.667 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.938 10.566 -11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.256 10.491 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.571 8.913 -10.152 1.00 0.00 H new ATOM 1105 N THR A 70 -4.256 11.418 -11.627 1.00 0.00 N ATOM 1106 CA THR A 70 -5.553 11.717 -12.227 1.00 0.00 C ATOM 1107 C THR A 70 -6.467 12.433 -11.238 1.00 0.00 C ATOM 1108 O THR A 70 -6.380 13.650 -11.064 1.00 0.00 O ATOM 1109 CB THR A 70 -6.220 10.429 -12.711 1.00 0.00 C ATOM 1110 OG1 THR A 70 -5.705 9.307 -12.017 1.00 0.00 O ATOM 1111 CG2 THR A 70 -6.034 10.179 -14.192 1.00 0.00 C ATOM 0 H THR A 70 -3.808 10.579 -11.995 1.00 0.00 H new ATOM 0 HA THR A 70 -5.385 12.378 -13.077 1.00 0.00 H new ATOM 0 HB THR A 70 -7.284 10.562 -12.513 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.624 9.521 -11.064 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.532 9.250 -14.469 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.466 11.005 -14.757 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.970 10.102 -14.417 1.00 0.00 H new ATOM 1119 N LYS A 71 -7.345 11.672 -10.594 1.00 0.00 N ATOM 1120 CA LYS A 71 -8.276 12.233 -9.623 1.00 0.00 C ATOM 1121 C LYS A 71 -7.577 12.473 -8.289 1.00 0.00 C ATOM 1122 O LYS A 71 -8.095 12.116 -7.231 1.00 0.00 O ATOM 1123 CB LYS A 71 -9.470 11.296 -9.428 1.00 0.00 C ATOM 1124 CG LYS A 71 -10.433 11.286 -10.605 1.00 0.00 C ATOM 1125 CD LYS A 71 -11.857 11.581 -10.163 1.00 0.00 C ATOM 1126 CE LYS A 71 -12.134 13.076 -10.137 1.00 0.00 C ATOM 1127 NZ LYS A 71 -13.198 13.461 -11.106 1.00 0.00 N ATOM 0 H LYS A 71 -7.431 10.664 -10.727 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.636 13.188 -10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.103 10.283 -9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.011 11.592 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.118 12.027 -11.340 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.398 10.314 -11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.558 11.092 -10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.026 11.161 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.434 13.372 -9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.218 13.619 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.357 14.488 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.901 13.202 -12.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.080 12.963 -10.870 1.00 0.00 H new ATOM 1141 N HIS A 72 -6.395 13.075 -8.351 1.00 0.00 N ATOM 1142 CA HIS A 72 -5.618 13.358 -7.151 1.00 0.00 C ATOM 1143 C HIS A 72 -5.551 12.128 -6.252 1.00 0.00 C ATOM 1144 O HIS A 72 -4.649 11.300 -6.386 1.00 0.00 O ATOM 1145 CB HIS A 72 -6.227 14.537 -6.388 1.00 0.00 C ATOM 1146 CG HIS A 72 -5.771 15.872 -6.892 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -6.272 17.068 -6.420 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -4.853 16.197 -7.833 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -5.684 18.069 -7.052 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -4.820 17.567 -7.913 1.00 0.00 N ATOM 0 H HIS A 72 -5.954 13.376 -9.220 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.604 13.621 -7.453 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.313 14.483 -6.457 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -5.970 14.449 -5.332 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.985 17.165 -5.697 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.258 15.507 -8.413 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.878 19.119 -6.891 1.00 0.00 H new ATOM 1159 N PHE A 73 -6.511 12.011 -5.339 1.00 0.00 N ATOM 1160 CA PHE A 73 -6.560 10.879 -4.422 1.00 0.00 C ATOM 1161 C PHE A 73 -7.474 11.184 -3.243 1.00 0.00 C ATOM 1162 O PHE A 73 -8.319 12.076 -3.314 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.156 10.537 -3.918 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.673 11.448 -2.824 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.433 12.788 -3.075 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.463 10.960 -1.544 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -3.990 13.627 -2.070 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.020 11.794 -0.534 1.00 0.00 C ATOM 1169 CZ PHE A 73 -3.784 13.130 -0.797 1.00 0.00 C ATOM 0 H PHE A 73 -7.265 12.687 -5.215 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.959 10.021 -4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.150 9.510 -3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.457 10.583 -4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.594 13.182 -4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.647 9.917 -1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.805 14.670 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.859 11.402 0.459 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.439 13.784 -0.010 1.00 0.00 H new ATOM 1179 N ILE A 74 -7.298 10.441 -2.156 1.00 0.00 N ATOM 1180 CA ILE A 74 -8.105 10.639 -0.962 1.00 0.00 C ATOM 1181 C ILE A 74 -7.535 9.885 0.230 1.00 0.00 C ATOM 1182 O ILE A 74 -7.263 8.687 0.151 1.00 0.00 O ATOM 1183 CB ILE A 74 -9.560 10.180 -1.168 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -10.411 10.629 0.038 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -9.600 8.669 -1.371 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -11.631 9.772 0.325 1.00 0.00 C ATOM 0 H ILE A 74 -6.604 9.697 -2.079 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.087 11.711 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.980 10.639 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.778 10.639 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -10.739 11.655 -0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.632 8.349 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.011 8.404 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.186 8.173 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -12.160 10.171 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.293 9.780 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -11.317 8.749 0.532 1.00 0.00 H new ATOM 1198 N TYR A 75 -7.381 10.591 1.341 1.00 0.00 N ATOM 1199 CA TYR A 75 -6.873 9.994 2.565 1.00 0.00 C ATOM 1200 C TYR A 75 -7.877 10.201 3.689 1.00 0.00 C ATOM 1201 O TYR A 75 -8.437 11.286 3.833 1.00 0.00 O ATOM 1202 CB TYR A 75 -5.520 10.599 2.945 1.00 0.00 C ATOM 1203 CG TYR A 75 -4.758 9.779 3.963 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -4.447 8.447 3.720 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -4.353 10.336 5.170 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -3.755 7.694 4.648 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -3.657 9.589 6.103 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.362 8.269 5.837 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.673 7.521 6.764 1.00 0.00 O ATOM 0 H TYR A 75 -7.602 11.584 1.418 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.731 8.926 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.912 10.704 2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.678 11.602 3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.752 7.992 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.585 11.369 5.383 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.523 6.659 4.443 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.346 10.038 7.035 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.940 6.581 6.689 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.117 9.160 4.473 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.072 9.246 5.570 1.00 0.00 C ATOM 1221 C PHE A 76 -8.749 8.234 6.662 1.00 0.00 C ATOM 1222 O PHE A 76 -7.920 7.344 6.476 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.491 9.012 5.050 1.00 0.00 C ATOM 1224 CG PHE A 76 -10.573 7.943 3.999 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -9.917 8.093 2.787 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.303 6.787 4.224 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -9.987 7.110 1.819 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -11.378 5.801 3.258 1.00 0.00 C ATOM 1229 CZ PHE A 76 -10.719 5.963 2.055 1.00 0.00 C ATOM 0 H PHE A 76 -7.667 8.250 4.372 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.003 10.246 5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.136 8.740 5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.878 9.945 4.640 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.344 8.989 2.597 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.819 6.655 5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.470 7.238 0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -11.951 4.905 3.444 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.776 5.193 1.300 1.00 0.00 H new ATOM 1239 N TYR A 77 -9.412 8.381 7.802 1.00 0.00 N ATOM 1240 CA TYR A 77 -9.201 7.483 8.930 1.00 0.00 C ATOM 1241 C TYR A 77 -10.522 6.899 9.425 1.00 0.00 C ATOM 1242 O TYR A 77 -11.255 7.543 10.176 1.00 0.00 O ATOM 1243 CB TYR A 77 -8.499 8.223 10.071 1.00 0.00 C ATOM 1244 CG TYR A 77 -7.964 7.305 11.145 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -8.824 6.657 12.022 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -6.599 7.083 11.281 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -8.341 5.815 13.005 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -6.107 6.243 12.260 1.00 0.00 C ATOM 1249 CZ TYR A 77 -6.981 5.611 13.120 1.00 0.00 C ATOM 1250 OH TYR A 77 -6.495 4.772 14.098 1.00 0.00 O ATOM 0 H TYR A 77 -10.101 9.114 7.970 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.570 6.662 8.591 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.676 8.809 9.662 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.198 8.927 10.521 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.889 6.814 11.934 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.911 7.576 10.610 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.024 5.319 13.679 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.043 6.082 12.352 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.517 4.737 14.043 1.00 0.00 H new ATOM 1260 N LEU A 78 -10.817 5.672 9.005 1.00 0.00 N ATOM 1261 CA LEU A 78 -12.048 5.000 9.411 1.00 0.00 C ATOM 1262 C LEU A 78 -12.035 4.718 10.910 1.00 0.00 C ATOM 1263 O LEU A 78 -11.112 5.121 11.618 1.00 0.00 O ATOM 1264 CB LEU A 78 -12.218 3.688 8.640 1.00 0.00 C ATOM 1265 CG LEU A 78 -12.522 3.829 7.143 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -13.993 4.138 6.924 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -11.649 4.903 6.509 1.00 0.00 C ATOM 0 H LEU A 78 -10.222 5.123 8.385 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.886 5.658 9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.306 3.101 8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.023 3.118 9.103 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.293 2.879 6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.189 4.234 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.599 3.330 7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.247 5.072 7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.884 4.983 5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.838 5.860 6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.599 4.636 6.629 1.00 0.00 H new ATOM 1279 N GLY A 79 -13.058 4.017 11.388 1.00 0.00 N ATOM 1280 CA GLY A 79 -13.133 3.690 12.801 1.00 0.00 C ATOM 1281 C GLY A 79 -11.922 2.906 13.267 1.00 0.00 C ATOM 1282 O GLY A 79 -11.933 1.676 13.267 1.00 0.00 O ATOM 0 H GLY A 79 -13.834 3.670 10.825 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.216 4.609 13.382 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.036 3.110 12.992 1.00 0.00 H new ATOM 1286 N GLN A 80 -10.870 3.622 13.651 1.00 0.00 N ATOM 1287 CA GLN A 80 -9.639 2.986 14.104 1.00 0.00 C ATOM 1288 C GLN A 80 -8.835 2.486 12.910 1.00 0.00 C ATOM 1289 O GLN A 80 -8.016 1.576 13.032 1.00 0.00 O ATOM 1290 CB GLN A 80 -9.951 1.825 15.052 1.00 0.00 C ATOM 1291 CG GLN A 80 -8.744 1.351 15.845 1.00 0.00 C ATOM 1292 CD GLN A 80 -9.035 0.114 16.674 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -10.175 -0.341 16.755 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -7.998 -0.437 17.295 1.00 0.00 N ATOM 0 H GLN A 80 -10.846 4.642 13.657 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.047 3.725 14.644 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.734 2.132 15.745 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.347 0.990 14.474 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.924 1.138 15.159 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.409 2.153 16.503 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.069 -0.026 17.200 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.130 -1.271 17.867 1.00 0.00 H new ATOM 1303 N VAL A 81 -9.084 3.092 11.752 1.00 0.00 N ATOM 1304 CA VAL A 81 -8.398 2.719 10.522 1.00 0.00 C ATOM 1305 C VAL A 81 -8.092 3.954 9.676 1.00 0.00 C ATOM 1306 O VAL A 81 -8.615 5.038 9.930 1.00 0.00 O ATOM 1307 CB VAL A 81 -9.242 1.726 9.695 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -8.678 1.565 8.290 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -9.323 0.380 10.398 1.00 0.00 C ATOM 0 H VAL A 81 -9.760 3.848 11.642 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.462 2.237 10.803 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.250 2.131 9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.292 0.860 7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.681 2.530 7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.657 1.189 8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.922 -0.307 9.800 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.319 -0.027 10.522 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.786 0.508 11.376 1.00 0.00 H new ATOM 1319 N ALA A 82 -7.243 3.779 8.668 1.00 0.00 N ATOM 1320 CA ALA A 82 -6.870 4.873 7.780 1.00 0.00 C ATOM 1321 C ALA A 82 -6.630 4.361 6.365 1.00 0.00 C ATOM 1322 O ALA A 82 -5.750 3.531 6.136 1.00 0.00 O ATOM 1323 CB ALA A 82 -5.630 5.584 8.304 1.00 0.00 C ATOM 0 H ALA A 82 -6.800 2.888 8.446 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.694 5.586 7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.365 6.398 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.833 5.987 9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.802 4.877 8.362 1.00 0.00 H new ATOM 1329 N ILE A 83 -7.423 4.851 5.420 1.00 0.00 N ATOM 1330 CA ILE A 83 -7.298 4.431 4.030 1.00 0.00 C ATOM 1331 C ILE A 83 -6.634 5.506 3.176 1.00 0.00 C ATOM 1332 O ILE A 83 -6.907 6.697 3.331 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.669 4.089 3.418 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -9.674 3.737 4.517 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.533 2.940 2.432 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.372 2.429 5.215 1.00 0.00 C ATOM 0 H ILE A 83 -8.158 5.538 5.590 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.672 3.539 4.034 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.039 4.964 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.689 4.539 5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.672 3.686 4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.509 2.708 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -7.848 3.225 1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.144 2.062 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.125 2.243 5.981 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.386 1.617 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.387 2.483 5.679 1.00 0.00 H new ATOM 1348 N LEU A 84 -5.766 5.071 2.269 1.00 0.00 N ATOM 1349 CA LEU A 84 -5.062 5.983 1.378 1.00 0.00 C ATOM 1350 C LEU A 84 -5.293 5.588 -0.077 1.00 0.00 C ATOM 1351 O LEU A 84 -4.595 4.729 -0.617 1.00 0.00 O ATOM 1352 CB LEU A 84 -3.566 5.982 1.692 1.00 0.00 C ATOM 1353 CG LEU A 84 -2.677 6.596 0.611 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -2.288 8.016 0.989 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -1.440 5.738 0.390 1.00 0.00 C ATOM 0 H LEU A 84 -5.533 4.087 2.132 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.452 6.989 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.406 6.524 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.247 4.954 1.863 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.238 6.632 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.655 8.440 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.187 8.623 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.743 8.005 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.818 6.189 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.873 5.670 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.742 4.739 0.076 1.00 0.00 H new ATOM 1367 N LEU A 85 -6.286 6.210 -0.703 1.00 0.00 N ATOM 1368 CA LEU A 85 -6.618 5.911 -2.092 1.00 0.00 C ATOM 1369 C LEU A 85 -6.031 6.946 -3.043 1.00 0.00 C ATOM 1370 O LEU A 85 -6.210 8.149 -2.859 1.00 0.00 O ATOM 1371 CB LEU A 85 -8.136 5.848 -2.270 1.00 0.00 C ATOM 1372 CG LEU A 85 -8.668 4.517 -2.797 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -8.770 3.502 -1.671 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -10.018 4.715 -3.466 1.00 0.00 C ATOM 0 H LEU A 85 -6.874 6.923 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.182 4.942 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.608 6.057 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.440 6.640 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.969 4.133 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.151 2.559 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.784 3.342 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.449 3.876 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.384 3.758 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.726 5.119 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.913 5.410 -4.299 1.00 0.00 H new ATOM 1386 N PHE A 86 -5.335 6.462 -4.066 1.00 0.00 N ATOM 1387 CA PHE A 86 -4.725 7.340 -5.058 1.00 0.00 C ATOM 1388 C PHE A 86 -4.282 6.548 -6.289 1.00 0.00 C ATOM 1389 O PHE A 86 -3.450 5.646 -6.194 1.00 0.00 O ATOM 1390 CB PHE A 86 -3.539 8.096 -4.442 1.00 0.00 C ATOM 1391 CG PHE A 86 -2.205 7.432 -4.651 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -1.872 6.280 -3.957 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -1.287 7.962 -5.543 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -0.647 5.669 -4.149 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -0.061 7.357 -5.739 1.00 0.00 C ATOM 1396 CZ PHE A 86 0.260 6.208 -5.041 1.00 0.00 C ATOM 0 H PHE A 86 -5.179 5.467 -4.230 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.471 8.067 -5.378 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.503 9.099 -4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.712 8.209 -3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.577 5.855 -3.258 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.533 8.859 -6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.399 4.771 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.646 7.781 -6.437 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.218 5.733 -5.193 1.00 0.00 H new ATOM 1406 N LYS A 87 -4.847 6.893 -7.444 1.00 0.00 N ATOM 1407 CA LYS A 87 -4.514 6.217 -8.693 1.00 0.00 C ATOM 1408 C LYS A 87 -3.633 7.096 -9.574 1.00 0.00 C ATOM 1409 O LYS A 87 -3.698 8.323 -9.506 1.00 0.00 O ATOM 1410 CB LYS A 87 -5.788 5.837 -9.449 1.00 0.00 C ATOM 1411 CG LYS A 87 -6.732 7.005 -9.679 1.00 0.00 C ATOM 1412 CD LYS A 87 -8.004 6.562 -10.382 1.00 0.00 C ATOM 1413 CE LYS A 87 -7.807 6.475 -11.886 1.00 0.00 C ATOM 1414 NZ LYS A 87 -8.820 7.277 -12.627 1.00 0.00 N ATOM 0 H LYS A 87 -5.538 7.637 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.961 5.311 -8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.514 5.407 -10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.313 5.061 -8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.984 7.464 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.231 7.767 -10.276 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.314 5.590 -9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.808 7.264 -10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.808 6.827 -12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.868 5.433 -12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.651 7.191 -13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.773 6.925 -12.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.745 8.276 -12.347 1.00 0.00 H new ATOM 1428 N SER A 88 -2.811 6.459 -10.402 1.00 0.00 N ATOM 1429 CA SER A 88 -1.917 7.182 -11.299 1.00 0.00 C ATOM 1430 C SER A 88 -2.510 7.272 -12.695 1.00 0.00 C ATOM 1431 O SER A 88 -1.806 7.533 -13.671 1.00 0.00 O ATOM 1432 CB SER A 88 -0.557 6.495 -11.358 1.00 0.00 C ATOM 1433 OG SER A 88 0.494 7.410 -11.095 1.00 0.00 O ATOM 0 H SER A 88 -2.746 5.443 -10.470 1.00 0.00 H new ATOM 0 HA SER A 88 -1.790 8.192 -10.909 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.525 5.683 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.415 6.048 -12.342 1.00 0.00 H new ATOM 0 HG SER A 88 0.983 7.593 -11.924 1.00 0.00 H new ATOM 1439 N GLY A 89 -3.809 7.053 -12.774 1.00 0.00 N ATOM 1440 CA GLY A 89 -4.502 7.108 -14.050 1.00 0.00 C ATOM 1441 C GLY A 89 -4.790 5.730 -14.613 1.00 0.00 C ATOM 1442 O GLY A 89 -4.707 4.746 -13.849 1.00 0.00 O ATOM 1443 OXT GLY A 89 -5.099 5.636 -15.820 1.00 0.00 O ATOM 0 H GLY A 89 -4.404 6.836 -11.975 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.440 7.650 -13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.899 7.670 -14.763 1.00 0.00 H new TER 1447 GLY A 89 ATOM 1448 N MET B 1 19.788 4.262 13.596 1.00 0.00 N ATOM 1449 CA MET B 1 21.162 3.713 13.453 1.00 0.00 C ATOM 1450 C MET B 1 21.548 3.566 11.985 1.00 0.00 C ATOM 1451 O MET B 1 20.744 3.827 11.092 1.00 0.00 O ATOM 1452 CB MET B 1 21.215 2.351 14.149 1.00 0.00 C ATOM 1453 CG MET B 1 22.607 1.743 14.187 1.00 0.00 C ATOM 1454 SD MET B 1 22.576 -0.041 14.437 1.00 0.00 S ATOM 1455 CE MET B 1 22.396 -0.129 16.216 1.00 0.00 C ATOM 0 H1 MET B 1 19.829 5.175 14.091 1.00 0.00 H new ATOM 0 H2 MET B 1 19.369 4.398 12.654 1.00 0.00 H new ATOM 0 H3 MET B 1 19.204 3.598 14.143 1.00 0.00 H new ATOM 0 HA MET B 1 21.872 4.401 13.912 1.00 0.00 H new ATOM 0 HB2 MET B 1 20.846 2.459 15.169 1.00 0.00 H new ATOM 0 HB3 MET B 1 20.541 1.664 13.637 1.00 0.00 H new ATOM 0 HG2 MET B 1 23.123 1.967 13.253 1.00 0.00 H new ATOM 0 HG3 MET B 1 23.181 2.209 14.988 1.00 0.00 H new ATOM 0 HE1 MET B 1 22.361 -1.173 16.527 1.00 0.00 H new ATOM 0 HE2 MET B 1 23.244 0.363 16.692 1.00 0.00 H new ATOM 0 HE3 MET B 1 21.473 0.369 16.513 1.00 0.00 H new ATOM 1467 N CYS B 2 22.787 3.144 11.746 1.00 0.00 N ATOM 1468 CA CYS B 2 23.282 2.959 10.386 1.00 0.00 C ATOM 1469 C CYS B 2 23.036 1.532 9.907 1.00 0.00 C ATOM 1470 O CYS B 2 22.496 0.705 10.642 1.00 0.00 O ATOM 1471 CB CYS B 2 24.776 3.281 10.318 1.00 0.00 C ATOM 1472 SG CYS B 2 25.141 5.032 10.050 1.00 0.00 S ATOM 0 H CYS B 2 23.465 2.924 12.476 1.00 0.00 H new ATOM 0 HA CYS B 2 22.739 3.641 9.732 1.00 0.00 H new ATOM 0 HB2 CYS B 2 25.249 2.960 11.246 1.00 0.00 H new ATOM 0 HB3 CYS B 2 25.226 2.700 9.513 1.00 0.00 H new ATOM 0 HG CYS B 2 26.429 5.206 10.009 1.00 0.00 H new ATOM 1478 N ASP B 3 23.432 1.252 8.670 1.00 0.00 N ATOM 1479 CA ASP B 3 23.252 -0.073 8.089 1.00 0.00 C ATOM 1480 C ASP B 3 21.795 -0.298 7.699 1.00 0.00 C ATOM 1481 O ASP B 3 20.939 0.552 7.944 1.00 0.00 O ATOM 1482 CB ASP B 3 23.699 -1.159 9.071 1.00 0.00 C ATOM 1483 CG ASP B 3 25.116 -1.627 8.808 1.00 0.00 C ATOM 1484 OD1 ASP B 3 25.362 -2.193 7.722 1.00 0.00 O ATOM 1485 OD2 ASP B 3 25.981 -1.429 9.688 1.00 0.00 O ATOM 0 H ASP B 3 23.880 1.926 8.050 1.00 0.00 H new ATOM 0 HA ASP B 3 23.869 -0.132 7.193 1.00 0.00 H new ATOM 0 HB2 ASP B 3 23.629 -0.776 10.089 1.00 0.00 H new ATOM 0 HB3 ASP B 3 23.020 -2.009 9.003 1.00 0.00 H new ATOM 1490 N ARG B 4 21.521 -1.447 7.091 1.00 0.00 N ATOM 1491 CA ARG B 4 20.167 -1.783 6.667 1.00 0.00 C ATOM 1492 C ARG B 4 19.141 -1.299 7.686 1.00 0.00 C ATOM 1493 O ARG B 4 18.732 -0.137 7.667 1.00 0.00 O ATOM 1494 CB ARG B 4 20.031 -3.293 6.467 1.00 0.00 C ATOM 1495 CG ARG B 4 20.762 -3.813 5.240 1.00 0.00 C ATOM 1496 CD ARG B 4 19.846 -3.869 4.028 1.00 0.00 C ATOM 1497 NE ARG B 4 19.163 -5.155 3.918 1.00 0.00 N ATOM 1498 CZ ARG B 4 19.794 -6.324 3.899 1.00 0.00 C ATOM 1499 NH1 ARG B 4 21.115 -6.368 4.002 1.00 0.00 N ATOM 1500 NH2 ARG B 4 19.103 -7.450 3.779 1.00 0.00 N ATOM 0 H ARG B 4 22.218 -2.161 6.881 1.00 0.00 H new ATOM 0 HA ARG B 4 19.976 -1.280 5.719 1.00 0.00 H new ATOM 0 HB2 ARG B 4 20.413 -3.804 7.351 1.00 0.00 H new ATOM 0 HB3 ARG B 4 18.974 -3.546 6.384 1.00 0.00 H new ATOM 0 HG2 ARG B 4 21.615 -3.170 5.023 1.00 0.00 H new ATOM 0 HG3 ARG B 4 21.157 -4.808 5.445 1.00 0.00 H new ATOM 0 HD2 ARG B 4 19.107 -3.071 4.095 1.00 0.00 H new ATOM 0 HD3 ARG B 4 20.429 -3.689 3.124 1.00 0.00 H new ATOM 0 HE ARG B 4 18.145 -5.156 3.852 1.00 0.00 H new ATOM 0 HH11 ARG B 4 21.648 -5.504 4.096 1.00 0.00 H new ATOM 0 HH12 ARG B 4 21.598 -7.266 3.987 1.00 0.00 H new ATOM 0 HH21 ARG B 4 18.086 -7.419 3.701 1.00 0.00 H new ATOM 0 HH22 ARG B 4 19.588 -8.347 3.764 1.00 0.00 H new ATOM 1514 N LYS B 5 18.727 -2.197 8.574 1.00 0.00 N ATOM 1515 CA LYS B 5 17.746 -1.861 9.599 1.00 0.00 C ATOM 1516 C LYS B 5 16.340 -1.828 9.009 1.00 0.00 C ATOM 1517 O LYS B 5 15.937 -0.833 8.409 1.00 0.00 O ATOM 1518 CB LYS B 5 18.080 -0.509 10.232 1.00 0.00 C ATOM 1519 CG LYS B 5 18.496 -0.606 11.691 1.00 0.00 C ATOM 1520 CD LYS B 5 17.664 0.313 12.569 1.00 0.00 C ATOM 1521 CE LYS B 5 16.398 -0.376 13.053 1.00 0.00 C ATOM 1522 NZ LYS B 5 16.607 -1.833 13.275 1.00 0.00 N ATOM 0 H LYS B 5 19.055 -3.162 8.604 1.00 0.00 H new ATOM 0 HA LYS B 5 17.781 -2.631 10.370 1.00 0.00 H new ATOM 0 HB2 LYS B 5 18.884 -0.040 9.664 1.00 0.00 H new ATOM 0 HB3 LYS B 5 17.211 0.144 10.153 1.00 0.00 H new ATOM 0 HG2 LYS B 5 18.387 -1.635 12.034 1.00 0.00 H new ATOM 0 HG3 LYS B 5 19.550 -0.347 11.788 1.00 0.00 H new ATOM 0 HD2 LYS B 5 18.256 0.633 13.426 1.00 0.00 H new ATOM 0 HD3 LYS B 5 17.400 1.211 12.011 1.00 0.00 H new ATOM 0 HE2 LYS B 5 16.065 0.088 13.981 1.00 0.00 H new ATOM 0 HE3 LYS B 5 15.604 -0.231 12.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 15.885 -2.191 13.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 16.531 -2.337 12.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 17.552 -1.990 13.680 1.00 0.00 H new ATOM 1536 N ALA B 6 15.606 -2.924 9.188 1.00 0.00 N ATOM 1537 CA ALA B 6 14.243 -3.040 8.677 1.00 0.00 C ATOM 1538 C ALA B 6 13.834 -4.503 8.556 1.00 0.00 C ATOM 1539 O ALA B 6 14.524 -5.394 9.053 1.00 0.00 O ATOM 1540 CB ALA B 6 14.112 -2.351 7.327 1.00 0.00 C ATOM 0 H ALA B 6 15.936 -3.750 9.687 1.00 0.00 H new ATOM 0 HA ALA B 6 13.577 -2.548 9.386 1.00 0.00 H new ATOM 0 HB1 ALA B 6 13.088 -2.450 6.966 1.00 0.00 H new ATOM 0 HB2 ALA B 6 14.359 -1.295 7.432 1.00 0.00 H new ATOM 0 HB3 ALA B 6 14.795 -2.814 6.614 1.00 0.00 H new ATOM 1546 N VAL B 7 12.709 -4.745 7.894 1.00 0.00 N ATOM 1547 CA VAL B 7 12.211 -6.101 7.709 1.00 0.00 C ATOM 1548 C VAL B 7 11.368 -6.212 6.445 1.00 0.00 C ATOM 1549 O VAL B 7 10.140 -6.278 6.512 1.00 0.00 O ATOM 1550 CB VAL B 7 11.367 -6.559 8.911 1.00 0.00 C ATOM 1551 CG1 VAL B 7 10.828 -7.962 8.680 1.00 0.00 C ATOM 1552 CG2 VAL B 7 12.183 -6.498 10.193 1.00 0.00 C ATOM 0 H VAL B 7 12.125 -4.020 7.477 1.00 0.00 H new ATOM 0 HA VAL B 7 13.085 -6.746 7.619 1.00 0.00 H new ATOM 0 HB VAL B 7 10.520 -5.881 9.016 1.00 0.00 H new ATOM 0 HG11 VAL B 7 10.233 -8.270 9.540 1.00 0.00 H new ATOM 0 HG12 VAL B 7 10.204 -7.969 7.786 1.00 0.00 H new ATOM 0 HG13 VAL B 7 11.660 -8.654 8.548 1.00 0.00 H new ATOM 0 HG21 VAL B 7 11.568 -6.826 11.031 1.00 0.00 H new ATOM 0 HG22 VAL B 7 13.052 -7.150 10.103 1.00 0.00 H new ATOM 0 HG23 VAL B 7 12.515 -5.474 10.365 1.00 0.00 H new ATOM 1562 N ILE B 8 12.030 -6.236 5.293 1.00 0.00 N ATOM 1563 CA ILE B 8 11.330 -6.344 4.020 1.00 0.00 C ATOM 1564 C ILE B 8 10.349 -7.514 4.049 1.00 0.00 C ATOM 1565 O ILE B 8 10.605 -8.543 4.673 1.00 0.00 O ATOM 1566 CB ILE B 8 12.326 -6.495 2.837 1.00 0.00 C ATOM 1567 CG1 ILE B 8 12.695 -5.116 2.291 1.00 0.00 C ATOM 1568 CG2 ILE B 8 11.759 -7.364 1.716 1.00 0.00 C ATOM 1569 CD1 ILE B 8 13.988 -4.566 2.854 1.00 0.00 C ATOM 0 H ILE B 8 13.046 -6.182 5.215 1.00 0.00 H new ATOM 0 HA ILE B 8 10.770 -5.422 3.866 1.00 0.00 H new ATOM 0 HB ILE B 8 13.217 -6.993 3.218 1.00 0.00 H new ATOM 0 HG12 ILE B 8 12.777 -5.175 1.206 1.00 0.00 H new ATOM 0 HG13 ILE B 8 11.887 -4.419 2.512 1.00 0.00 H new ATOM 0 HG21 ILE B 8 12.490 -7.441 0.911 1.00 0.00 H new ATOM 0 HG22 ILE B 8 11.539 -8.359 2.103 1.00 0.00 H new ATOM 0 HG23 ILE B 8 10.844 -6.913 1.333 1.00 0.00 H new ATOM 0 HD11 ILE B 8 14.185 -3.585 2.421 1.00 0.00 H new ATOM 0 HD12 ILE B 8 13.904 -4.474 3.937 1.00 0.00 H new ATOM 0 HD13 ILE B 8 14.808 -5.242 2.610 1.00 0.00 H new ATOM 1581 N LYS B 9 9.228 -7.340 3.366 1.00 0.00 N ATOM 1582 CA LYS B 9 8.198 -8.369 3.301 1.00 0.00 C ATOM 1583 C LYS B 9 7.581 -8.406 1.911 1.00 0.00 C ATOM 1584 O LYS B 9 6.826 -9.319 1.575 1.00 0.00 O ATOM 1585 CB LYS B 9 7.119 -8.105 4.351 1.00 0.00 C ATOM 1586 CG LYS B 9 7.637 -7.389 5.586 1.00 0.00 C ATOM 1587 CD LYS B 9 7.384 -8.198 6.846 1.00 0.00 C ATOM 1588 CE LYS B 9 7.763 -7.416 8.092 1.00 0.00 C ATOM 1589 NZ LYS B 9 6.668 -7.408 9.101 1.00 0.00 N ATOM 0 H LYS B 9 9.006 -6.491 2.846 1.00 0.00 H new ATOM 0 HA LYS B 9 8.656 -9.336 3.507 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.324 -7.509 3.902 1.00 0.00 H new ATOM 0 HB3 LYS B 9 6.675 -9.054 4.651 1.00 0.00 H new ATOM 0 HG2 LYS B 9 8.706 -7.205 5.479 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.153 -6.416 5.674 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.332 -8.477 6.896 1.00 0.00 H new ATOM 0 HD3 LYS B 9 7.958 -9.124 6.807 1.00 0.00 H new ATOM 0 HE2 LYS B 9 8.660 -7.851 8.534 1.00 0.00 H new ATOM 0 HE3 LYS B 9 8.009 -6.391 7.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 6.968 -6.864 9.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 5.819 -6.970 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 6.450 -8.385 9.385 1.00 0.00 H new ATOM 1603 N ASN B 10 7.912 -7.402 1.108 1.00 0.00 N ATOM 1604 CA ASN B 10 7.398 -7.304 -0.252 1.00 0.00 C ATOM 1605 C ASN B 10 8.241 -6.339 -1.074 1.00 0.00 C ATOM 1606 O ASN B 10 7.806 -5.230 -1.387 1.00 0.00 O ATOM 1607 CB ASN B 10 5.944 -6.837 -0.232 1.00 0.00 C ATOM 1608 CG ASN B 10 5.120 -7.463 -1.342 1.00 0.00 C ATOM 1609 OD1 ASN B 10 5.739 -8.353 -2.108 1.00 0.00 O flip ATOM 1610 ND2 ASN B 10 3.941 -7.149 -1.508 1.00 0.00 N flip ATOM 0 H ASN B 10 8.536 -6.642 1.377 1.00 0.00 H new ATOM 0 HA ASN B 10 7.450 -8.291 -0.712 1.00 0.00 H new ATOM 0 HB2 ASN B 10 5.499 -7.085 0.731 1.00 0.00 H new ATOM 0 HB3 ASN B 10 5.912 -5.752 -0.328 1.00 0.00 H new ATOM 0 HD21 ASN B 10 3.506 -6.460 -0.895 1.00 0.00 H new ATOM 0 HD22 ASN B 10 3.400 -7.578 -2.259 1.00 0.00 H new ATOM 1617 N ALA B 11 9.453 -6.762 -1.417 1.00 0.00 N ATOM 1618 CA ALA B 11 10.357 -5.928 -2.198 1.00 0.00 C ATOM 1619 C ALA B 11 10.600 -6.512 -3.584 1.00 0.00 C ATOM 1620 O ALA B 11 11.525 -7.300 -3.783 1.00 0.00 O ATOM 1621 CB ALA B 11 11.677 -5.758 -1.464 1.00 0.00 C ATOM 0 H ALA B 11 9.831 -7.676 -1.167 1.00 0.00 H new ATOM 0 HA ALA B 11 9.886 -4.953 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA B 11 12.345 -5.133 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA B 11 11.498 -5.284 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA B 11 12.136 -6.735 -1.309 1.00 0.00 H new ATOM 1627 N ASP B 12 9.770 -6.115 -4.542 1.00 0.00 N ATOM 1628 CA ASP B 12 9.905 -6.595 -5.911 1.00 0.00 C ATOM 1629 C ASP B 12 10.804 -5.662 -6.713 1.00 0.00 C ATOM 1630 O ASP B 12 10.683 -5.556 -7.933 1.00 0.00 O ATOM 1631 CB ASP B 12 8.531 -6.702 -6.575 1.00 0.00 C ATOM 1632 CG ASP B 12 7.556 -7.526 -5.758 1.00 0.00 C ATOM 1633 OD1 ASP B 12 8.009 -8.252 -4.848 1.00 0.00 O ATOM 1634 OD2 ASP B 12 6.338 -7.445 -6.027 1.00 0.00 O ATOM 0 H ASP B 12 8.999 -5.464 -4.396 1.00 0.00 H new ATOM 0 HA ASP B 12 10.360 -7.585 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.123 -5.702 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP B 12 8.642 -7.149 -7.563 1.00 0.00 H new ATOM 1639 N MET B 13 11.705 -4.985 -6.009 1.00 0.00 N ATOM 1640 CA MET B 13 12.631 -4.050 -6.639 1.00 0.00 C ATOM 1641 C MET B 13 14.060 -4.582 -6.588 1.00 0.00 C ATOM 1642 O MET B 13 14.340 -5.575 -5.916 1.00 0.00 O ATOM 1643 CB MET B 13 12.553 -2.689 -5.940 1.00 0.00 C ATOM 1644 CG MET B 13 13.729 -1.775 -6.247 1.00 0.00 C ATOM 1645 SD MET B 13 13.293 -0.028 -6.143 1.00 0.00 S ATOM 1646 CE MET B 13 12.725 0.079 -4.447 1.00 0.00 C ATOM 0 H MET B 13 11.814 -5.067 -4.998 1.00 0.00 H new ATOM 0 HA MET B 13 12.346 -3.935 -7.685 1.00 0.00 H new ATOM 0 HB2 MET B 13 11.630 -2.191 -6.237 1.00 0.00 H new ATOM 0 HB3 MET B 13 12.498 -2.846 -4.863 1.00 0.00 H new ATOM 0 HG2 MET B 13 14.540 -1.986 -5.550 1.00 0.00 H new ATOM 0 HG3 MET B 13 14.103 -1.994 -7.247 1.00 0.00 H new ATOM 0 HE1 MET B 13 12.791 1.112 -4.106 1.00 0.00 H new ATOM 0 HE2 MET B 13 11.690 -0.257 -4.388 1.00 0.00 H new ATOM 0 HE3 MET B 13 13.348 -0.553 -3.814 1.00 0.00 H new ATOM 1656 N SER B 14 14.961 -3.911 -7.298 1.00 0.00 N ATOM 1657 CA SER B 14 16.361 -4.315 -7.329 1.00 0.00 C ATOM 1658 C SER B 14 16.919 -4.432 -5.914 1.00 0.00 C ATOM 1659 O SER B 14 16.789 -3.511 -5.108 1.00 0.00 O ATOM 1660 CB SER B 14 17.189 -3.310 -8.134 1.00 0.00 C ATOM 1661 OG SER B 14 18.564 -3.651 -8.118 1.00 0.00 O ATOM 0 H SER B 14 14.747 -3.086 -7.859 1.00 0.00 H new ATOM 0 HA SER B 14 16.422 -5.291 -7.811 1.00 0.00 H new ATOM 0 HB2 SER B 14 16.831 -3.281 -9.163 1.00 0.00 H new ATOM 0 HB3 SER B 14 17.055 -2.310 -7.721 1.00 0.00 H new ATOM 0 HG SER B 14 19.070 -2.994 -8.641 1.00 0.00 H new ATOM 1667 N GLU B 15 17.536 -5.570 -5.619 1.00 0.00 N ATOM 1668 CA GLU B 15 18.110 -5.806 -4.298 1.00 0.00 C ATOM 1669 C GLU B 15 18.736 -4.531 -3.741 1.00 0.00 C ATOM 1670 O GLU B 15 18.235 -3.951 -2.779 1.00 0.00 O ATOM 1671 CB GLU B 15 19.159 -6.917 -4.365 1.00 0.00 C ATOM 1672 CG GLU B 15 18.680 -8.161 -5.092 1.00 0.00 C ATOM 1673 CD GLU B 15 19.539 -9.375 -4.799 1.00 0.00 C ATOM 1674 OE1 GLU B 15 20.722 -9.375 -5.199 1.00 0.00 O ATOM 1675 OE2 GLU B 15 19.028 -10.326 -4.171 1.00 0.00 O ATOM 0 H GLU B 15 17.652 -6.343 -6.274 1.00 0.00 H new ATOM 0 HA GLU B 15 17.306 -6.116 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU B 15 20.050 -6.535 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU B 15 19.453 -7.189 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU B 15 17.650 -8.371 -4.804 1.00 0.00 H new ATOM 0 HG3 GLU B 15 18.679 -7.972 -6.165 1.00 0.00 H new ATOM 1682 N GLU B 16 19.836 -4.102 -4.353 1.00 0.00 N ATOM 1683 CA GLU B 16 20.531 -2.896 -3.918 1.00 0.00 C ATOM 1684 C GLU B 16 19.545 -1.754 -3.690 1.00 0.00 C ATOM 1685 O GLU B 16 19.792 -0.859 -2.881 1.00 0.00 O ATOM 1686 CB GLU B 16 21.582 -2.485 -4.952 1.00 0.00 C ATOM 1687 CG GLU B 16 22.693 -3.507 -5.126 1.00 0.00 C ATOM 1688 CD GLU B 16 23.773 -3.043 -6.084 1.00 0.00 C ATOM 1689 OE1 GLU B 16 23.482 -2.920 -7.293 1.00 0.00 O ATOM 1690 OE2 GLU B 16 24.910 -2.806 -5.626 1.00 0.00 O ATOM 0 H GLU B 16 20.264 -4.571 -5.151 1.00 0.00 H new ATOM 0 HA GLU B 16 21.030 -3.114 -2.974 1.00 0.00 H new ATOM 0 HB2 GLU B 16 21.092 -2.325 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU B 16 22.019 -1.532 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU B 16 23.141 -3.719 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU B 16 22.267 -4.442 -5.491 1.00 0.00 H new ATOM 1697 N MET B 17 18.428 -1.793 -4.408 1.00 0.00 N ATOM 1698 CA MET B 17 17.404 -0.762 -4.285 1.00 0.00 C ATOM 1699 C MET B 17 16.630 -0.914 -2.979 1.00 0.00 C ATOM 1700 O MET B 17 16.397 0.064 -2.270 1.00 0.00 O ATOM 1701 CB MET B 17 16.443 -0.828 -5.474 1.00 0.00 C ATOM 1702 CG MET B 17 16.976 -0.137 -6.718 1.00 0.00 C ATOM 1703 SD MET B 17 15.934 1.232 -7.256 1.00 0.00 S ATOM 1704 CE MET B 17 15.587 2.035 -5.692 1.00 0.00 C ATOM 0 H MET B 17 18.209 -2.527 -5.081 1.00 0.00 H new ATOM 0 HA MET B 17 17.899 0.209 -4.279 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.236 -1.872 -5.708 1.00 0.00 H new ATOM 0 HB3 MET B 17 15.495 -0.371 -5.191 1.00 0.00 H new ATOM 0 HG2 MET B 17 17.982 0.234 -6.520 1.00 0.00 H new ATOM 0 HG3 MET B 17 17.058 -0.865 -7.525 1.00 0.00 H new ATOM 0 HE1 MET B 17 15.566 3.115 -5.834 1.00 0.00 H new ATOM 0 HE2 MET B 17 14.620 1.700 -5.317 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.364 1.779 -4.971 1.00 0.00 H new ATOM 1714 N GLN B 18 16.233 -2.144 -2.668 1.00 0.00 N ATOM 1715 CA GLN B 18 15.488 -2.414 -1.444 1.00 0.00 C ATOM 1716 C GLN B 18 16.320 -2.062 -0.214 1.00 0.00 C ATOM 1717 O GLN B 18 15.779 -1.675 0.824 1.00 0.00 O ATOM 1718 CB GLN B 18 15.059 -3.883 -1.385 1.00 0.00 C ATOM 1719 CG GLN B 18 15.735 -4.763 -2.423 1.00 0.00 C ATOM 1720 CD GLN B 18 14.740 -5.440 -3.347 1.00 0.00 C ATOM 1721 OE1 GLN B 18 13.752 -4.682 -3.807 1.00 0.00 O flip ATOM 1722 NE2 GLN B 18 14.858 -6.629 -3.642 1.00 0.00 N flip ATOM 0 H GLN B 18 16.414 -2.966 -3.244 1.00 0.00 H new ATOM 0 HA GLN B 18 14.595 -1.789 -1.450 1.00 0.00 H new ATOM 0 HB2 GLN B 18 15.278 -4.276 -0.392 1.00 0.00 H new ATOM 0 HB3 GLN B 18 13.979 -3.942 -1.521 1.00 0.00 H new ATOM 0 HG2 GLN B 18 16.423 -4.159 -3.015 1.00 0.00 H new ATOM 0 HG3 GLN B 18 16.332 -5.522 -1.918 1.00 0.00 H new ATOM 0 HE21 GLN B 18 15.634 -7.173 -3.265 1.00 0.00 H new ATOM 0 HE22 GLN B 18 14.180 -7.070 -4.264 1.00 0.00 H new ATOM 1731 N GLN B 19 17.638 -2.186 -0.339 1.00 0.00 N ATOM 1732 CA GLN B 19 18.538 -1.870 0.760 1.00 0.00 C ATOM 1733 C GLN B 19 18.704 -0.365 0.876 1.00 0.00 C ATOM 1734 O GLN B 19 18.700 0.192 1.975 1.00 0.00 O ATOM 1735 CB GLN B 19 19.899 -2.533 0.549 1.00 0.00 C ATOM 1736 CG GLN B 19 19.888 -4.035 0.786 1.00 0.00 C ATOM 1737 CD GLN B 19 21.276 -4.642 0.731 1.00 0.00 C ATOM 1738 OE1 GLN B 19 22.279 -3.929 0.766 1.00 0.00 O ATOM 1739 NE2 GLN B 19 21.341 -5.966 0.643 1.00 0.00 N ATOM 0 H GLN B 19 18.104 -2.503 -1.189 1.00 0.00 H new ATOM 0 HA GLN B 19 18.107 -2.255 1.684 1.00 0.00 H new ATOM 0 HB2 GLN B 19 20.235 -2.337 -0.469 1.00 0.00 H new ATOM 0 HB3 GLN B 19 20.626 -2.073 1.219 1.00 0.00 H new ATOM 0 HG2 GLN B 19 19.443 -4.243 1.759 1.00 0.00 H new ATOM 0 HG3 GLN B 19 19.256 -4.513 0.037 1.00 0.00 H new ATOM 0 HE21 GLN B 19 20.484 -6.518 0.617 1.00 0.00 H new ATOM 0 HE22 GLN B 19 22.248 -6.430 0.602 1.00 0.00 H new ATOM 1748 N ASP B 20 18.832 0.291 -0.270 1.00 0.00 N ATOM 1749 CA ASP B 20 18.980 1.735 -0.302 1.00 0.00 C ATOM 1750 C ASP B 20 17.676 2.394 0.122 1.00 0.00 C ATOM 1751 O ASP B 20 17.667 3.488 0.686 1.00 0.00 O ATOM 1752 CB ASP B 20 19.381 2.208 -1.701 1.00 0.00 C ATOM 1753 CG ASP B 20 20.611 3.093 -1.683 1.00 0.00 C ATOM 1754 OD1 ASP B 20 21.734 2.552 -1.772 1.00 0.00 O ATOM 1755 OD2 ASP B 20 20.453 4.328 -1.577 1.00 0.00 O ATOM 0 H ASP B 20 18.836 -0.156 -1.187 1.00 0.00 H new ATOM 0 HA ASP B 20 19.770 2.021 0.393 1.00 0.00 H new ATOM 0 HB2 ASP B 20 19.570 1.341 -2.334 1.00 0.00 H new ATOM 0 HB3 ASP B 20 18.551 2.754 -2.148 1.00 0.00 H new ATOM 1760 N SER B 21 16.570 1.704 -0.148 1.00 0.00 N ATOM 1761 CA SER B 21 15.253 2.204 0.211 1.00 0.00 C ATOM 1762 C SER B 21 15.085 2.202 1.723 1.00 0.00 C ATOM 1763 O SER B 21 14.674 3.201 2.313 1.00 0.00 O ATOM 1764 CB SER B 21 14.160 1.356 -0.443 1.00 0.00 C ATOM 1765 OG SER B 21 12.889 1.644 0.113 1.00 0.00 O ATOM 0 H SER B 21 16.564 0.797 -0.615 1.00 0.00 H new ATOM 0 HA SER B 21 15.161 3.227 -0.153 1.00 0.00 H new ATOM 0 HB2 SER B 21 14.142 1.545 -1.516 1.00 0.00 H new ATOM 0 HB3 SER B 21 14.387 0.298 -0.310 1.00 0.00 H new ATOM 0 HG SER B 21 12.718 1.042 0.867 1.00 0.00 H new ATOM 1771 N VAL B 22 15.422 1.078 2.347 1.00 0.00 N ATOM 1772 CA VAL B 22 15.321 0.958 3.794 1.00 0.00 C ATOM 1773 C VAL B 22 16.156 2.035 4.476 1.00 0.00 C ATOM 1774 O VAL B 22 15.708 2.672 5.429 1.00 0.00 O ATOM 1775 CB VAL B 22 15.784 -0.425 4.286 1.00 0.00 C ATOM 1776 CG1 VAL B 22 15.806 -0.465 5.803 1.00 0.00 C ATOM 1777 CG2 VAL B 22 14.887 -1.518 3.728 1.00 0.00 C ATOM 0 H VAL B 22 15.766 0.242 1.875 1.00 0.00 H new ATOM 0 HA VAL B 22 14.270 1.083 4.054 1.00 0.00 H new ATOM 0 HB VAL B 22 16.797 -0.602 3.924 1.00 0.00 H new ATOM 0 HG11 VAL B 22 16.135 -1.449 6.136 1.00 0.00 H new ATOM 0 HG12 VAL B 22 16.493 0.294 6.177 1.00 0.00 H new ATOM 0 HG13 VAL B 22 14.805 -0.268 6.187 1.00 0.00 H new ATOM 0 HG21 VAL B 22 15.230 -2.489 4.087 1.00 0.00 H new ATOM 0 HG22 VAL B 22 13.862 -1.351 4.058 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.925 -1.500 2.639 1.00 0.00 H new ATOM 1787 N GLU B 23 17.369 2.243 3.970 1.00 0.00 N ATOM 1788 CA GLU B 23 18.258 3.257 4.522 1.00 0.00 C ATOM 1789 C GLU B 23 17.620 4.632 4.385 1.00 0.00 C ATOM 1790 O GLU B 23 17.765 5.487 5.257 1.00 0.00 O ATOM 1791 CB GLU B 23 19.613 3.230 3.811 1.00 0.00 C ATOM 1792 CG GLU B 23 20.464 2.024 4.174 1.00 0.00 C ATOM 1793 CD GLU B 23 21.473 2.331 5.264 1.00 0.00 C ATOM 1794 OE1 GLU B 23 21.050 2.581 6.412 1.00 0.00 O ATOM 1795 OE2 GLU B 23 22.687 2.321 4.969 1.00 0.00 O ATOM 0 H GLU B 23 17.756 1.724 3.182 1.00 0.00 H new ATOM 0 HA GLU B 23 18.421 3.042 5.578 1.00 0.00 H new ATOM 0 HB2 GLU B 23 19.449 3.238 2.733 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.162 4.139 4.057 1.00 0.00 H new ATOM 0 HG2 GLU B 23 19.816 1.212 4.502 1.00 0.00 H new ATOM 0 HG3 GLU B 23 20.989 1.674 3.286 1.00 0.00 H new ATOM 1802 N CYS B 24 16.894 4.828 3.287 1.00 0.00 N ATOM 1803 CA CYS B 24 16.210 6.091 3.044 1.00 0.00 C ATOM 1804 C CYS B 24 15.030 6.229 3.998 1.00 0.00 C ATOM 1805 O CYS B 24 14.731 7.322 4.488 1.00 0.00 O ATOM 1806 CB CYS B 24 15.736 6.169 1.590 1.00 0.00 C ATOM 1807 SG CYS B 24 17.074 6.353 0.388 1.00 0.00 S ATOM 0 H CYS B 24 16.766 4.130 2.555 1.00 0.00 H new ATOM 0 HA CYS B 24 16.905 6.912 3.221 1.00 0.00 H new ATOM 0 HB2 CYS B 24 15.171 5.267 1.354 1.00 0.00 H new ATOM 0 HB3 CYS B 24 15.051 7.010 1.487 1.00 0.00 H new ATOM 0 HG CYS B 24 17.590 5.188 0.132 1.00 0.00 H new ATOM 1813 N ALA B 25 14.387 5.100 4.293 1.00 0.00 N ATOM 1814 CA ALA B 25 13.269 5.085 5.221 1.00 0.00 C ATOM 1815 C ALA B 25 13.807 5.307 6.617 1.00 0.00 C ATOM 1816 O ALA B 25 13.164 5.924 7.467 1.00 0.00 O ATOM 1817 CB ALA B 25 12.520 3.762 5.139 1.00 0.00 C ATOM 0 H ALA B 25 14.624 4.189 3.901 1.00 0.00 H new ATOM 0 HA ALA B 25 12.565 5.877 4.965 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.687 3.771 5.842 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.140 3.621 4.127 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.196 2.945 5.389 1.00 0.00 H new ATOM 1823 N THR B 26 15.019 4.812 6.821 1.00 0.00 N ATOM 1824 CA THR B 26 15.709 4.953 8.085 1.00 0.00 C ATOM 1825 C THR B 26 16.160 6.395 8.264 1.00 0.00 C ATOM 1826 O THR B 26 16.028 6.971 9.343 1.00 0.00 O ATOM 1827 CB THR B 26 16.913 4.020 8.124 1.00 0.00 C ATOM 1828 OG1 THR B 26 16.515 2.675 7.924 1.00 0.00 O ATOM 1829 CG2 THR B 26 17.670 4.086 9.424 1.00 0.00 C ATOM 0 H THR B 26 15.547 4.303 6.113 1.00 0.00 H new ATOM 0 HA THR B 26 15.031 4.688 8.897 1.00 0.00 H new ATOM 0 HB THR B 26 17.568 4.358 7.321 1.00 0.00 H new ATOM 0 HG1 THR B 26 16.387 2.511 6.966 1.00 0.00 H new ATOM 0 HG21 THR B 26 18.515 3.399 9.388 1.00 0.00 H new ATOM 0 HG22 THR B 26 18.034 5.101 9.582 1.00 0.00 H new ATOM 0 HG23 THR B 26 17.009 3.806 10.244 1.00 0.00 H new ATOM 1837 N GLN B 27 16.675 6.979 7.183 1.00 0.00 N ATOM 1838 CA GLN B 27 17.121 8.363 7.211 1.00 0.00 C ATOM 1839 C GLN B 27 16.001 9.239 7.744 1.00 0.00 C ATOM 1840 O GLN B 27 16.210 10.077 8.620 1.00 0.00 O ATOM 1841 CB GLN B 27 17.535 8.824 5.812 1.00 0.00 C ATOM 1842 CG GLN B 27 18.740 8.082 5.257 1.00 0.00 C ATOM 1843 CD GLN B 27 19.933 8.991 5.040 1.00 0.00 C ATOM 1844 OE1 GLN B 27 19.669 10.220 4.612 1.00 0.00 O flip ATOM 1845 NE2 GLN B 27 21.078 8.595 5.255 1.00 0.00 N flip ATOM 0 H GLN B 27 16.792 6.514 6.283 1.00 0.00 H new ATOM 0 HA GLN B 27 17.989 8.445 7.865 1.00 0.00 H new ATOM 0 HB2 GLN B 27 16.693 8.693 5.132 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.758 9.891 5.841 1.00 0.00 H new ATOM 0 HG2 GLN B 27 19.017 7.282 5.943 1.00 0.00 H new ATOM 0 HG3 GLN B 27 18.469 7.612 4.312 1.00 0.00 H new ATOM 0 HE21 GLN B 27 21.235 7.642 5.583 1.00 0.00 H new ATOM 0 HE22 GLN B 27 21.870 9.220 5.105 1.00 0.00 H new ATOM 1854 N ALA B 28 14.800 9.015 7.221 1.00 0.00 N ATOM 1855 CA ALA B 28 13.629 9.760 7.656 1.00 0.00 C ATOM 1856 C ALA B 28 13.328 9.446 9.114 1.00 0.00 C ATOM 1857 O ALA B 28 12.940 10.321 9.888 1.00 0.00 O ATOM 1858 CB ALA B 28 12.428 9.420 6.786 1.00 0.00 C ATOM 0 H ALA B 28 14.614 8.323 6.495 1.00 0.00 H new ATOM 0 HA ALA B 28 13.835 10.826 7.557 1.00 0.00 H new ATOM 0 HB1 ALA B 28 11.561 9.986 7.126 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.646 9.676 5.749 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.216 8.353 6.859 1.00 0.00 H new ATOM 1864 N LEU B 29 13.519 8.181 9.479 1.00 0.00 N ATOM 1865 CA LEU B 29 13.282 7.732 10.843 1.00 0.00 C ATOM 1866 C LEU B 29 14.243 8.415 11.807 1.00 0.00 C ATOM 1867 O LEU B 29 13.899 8.691 12.956 1.00 0.00 O ATOM 1868 CB LEU B 29 13.440 6.217 10.933 1.00 0.00 C ATOM 1869 CG LEU B 29 12.231 5.422 10.447 1.00 0.00 C ATOM 1870 CD1 LEU B 29 12.677 4.242 9.604 1.00 0.00 C ATOM 1871 CD2 LEU B 29 11.397 4.952 11.626 1.00 0.00 C ATOM 0 H LEU B 29 13.838 7.449 8.845 1.00 0.00 H new ATOM 0 HA LEU B 29 12.263 8.000 11.121 1.00 0.00 H new ATOM 0 HB2 LEU B 29 14.312 5.921 10.350 1.00 0.00 H new ATOM 0 HB3 LEU B 29 13.643 5.947 11.969 1.00 0.00 H new ATOM 0 HG LEU B 29 11.614 6.073 9.827 1.00 0.00 H new ATOM 0 HD11 LEU B 29 11.803 3.686 9.265 1.00 0.00 H new ATOM 0 HD12 LEU B 29 13.235 4.602 8.740 1.00 0.00 H new ATOM 0 HD13 LEU B 29 13.314 3.589 10.200 1.00 0.00 H new ATOM 0 HD21 LEU B 29 10.539 4.387 11.262 1.00 0.00 H new ATOM 0 HD22 LEU B 29 12.004 4.316 12.270 1.00 0.00 H new ATOM 0 HD23 LEU B 29 11.049 5.816 12.193 1.00 0.00 H new ATOM 1883 N GLU B 30 15.451 8.687 11.325 1.00 0.00 N ATOM 1884 CA GLU B 30 16.470 9.340 12.135 1.00 0.00 C ATOM 1885 C GLU B 30 16.216 10.842 12.216 1.00 0.00 C ATOM 1886 O GLU B 30 16.519 11.479 13.225 1.00 0.00 O ATOM 1887 CB GLU B 30 17.860 9.073 11.553 1.00 0.00 C ATOM 1888 CG GLU B 30 18.772 8.297 12.489 1.00 0.00 C ATOM 1889 CD GLU B 30 19.420 9.180 13.537 1.00 0.00 C ATOM 1890 OE1 GLU B 30 20.283 10.005 13.167 1.00 0.00 O ATOM 1891 OE2 GLU B 30 19.065 9.048 14.727 1.00 0.00 O ATOM 0 H GLU B 30 15.748 8.464 10.375 1.00 0.00 H new ATOM 0 HA GLU B 30 16.422 8.927 13.143 1.00 0.00 H new ATOM 0 HB2 GLU B 30 17.754 8.519 10.620 1.00 0.00 H new ATOM 0 HB3 GLU B 30 18.331 10.025 11.307 1.00 0.00 H new ATOM 0 HG2 GLU B 30 18.197 7.514 12.984 1.00 0.00 H new ATOM 0 HG3 GLU B 30 19.549 7.802 11.906 1.00 0.00 H new ATOM 1898 N LYS B 31 15.653 11.400 11.148 1.00 0.00 N ATOM 1899 CA LYS B 31 15.353 12.826 11.101 1.00 0.00 C ATOM 1900 C LYS B 31 13.995 13.111 11.733 1.00 0.00 C ATOM 1901 O LYS B 31 13.708 14.242 12.128 1.00 0.00 O ATOM 1902 CB LYS B 31 15.373 13.328 9.654 1.00 0.00 C ATOM 1903 CG LYS B 31 16.676 13.039 8.928 1.00 0.00 C ATOM 1904 CD LYS B 31 17.880 13.514 9.726 1.00 0.00 C ATOM 1905 CE LYS B 31 19.162 12.850 9.247 1.00 0.00 C ATOM 1906 NZ LYS B 31 20.181 13.848 8.820 1.00 0.00 N ATOM 0 H LYS B 31 15.396 10.886 10.305 1.00 0.00 H new ATOM 0 HA LYS B 31 16.119 13.354 11.669 1.00 0.00 H new ATOM 0 HB2 LYS B 31 14.552 12.866 9.107 1.00 0.00 H new ATOM 0 HB3 LYS B 31 15.195 14.403 9.649 1.00 0.00 H new ATOM 0 HG2 LYS B 31 16.761 11.968 8.744 1.00 0.00 H new ATOM 0 HG3 LYS B 31 16.667 13.530 7.955 1.00 0.00 H new ATOM 0 HD2 LYS B 31 17.974 14.596 9.636 1.00 0.00 H new ATOM 0 HD3 LYS B 31 17.728 13.294 10.783 1.00 0.00 H new ATOM 0 HE2 LYS B 31 19.572 12.233 10.047 1.00 0.00 H new ATOM 0 HE3 LYS B 31 18.936 12.184 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 21.039 13.354 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 19.801 14.420 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 20.416 14.468 9.621 1.00 0.00 H new ATOM 1920 N TYR B 32 13.165 12.077 11.828 1.00 0.00 N ATOM 1921 CA TYR B 32 11.838 12.209 12.418 1.00 0.00 C ATOM 1922 C TYR B 32 11.240 10.838 12.717 1.00 0.00 C ATOM 1923 O TYR B 32 11.713 9.820 12.213 1.00 0.00 O ATOM 1924 CB TYR B 32 10.902 12.984 11.487 1.00 0.00 C ATOM 1925 CG TYR B 32 11.566 13.498 10.230 1.00 0.00 C ATOM 1926 CD1 TYR B 32 11.855 12.646 9.170 1.00 0.00 C ATOM 1927 CD2 TYR B 32 11.899 14.840 10.101 1.00 0.00 C ATOM 1928 CE1 TYR B 32 12.458 13.118 8.019 1.00 0.00 C ATOM 1929 CE2 TYR B 32 12.500 15.320 8.953 1.00 0.00 C ATOM 1930 CZ TYR B 32 12.777 14.456 7.916 1.00 0.00 C ATOM 1931 OH TYR B 32 13.374 14.931 6.771 1.00 0.00 O ATOM 0 H TYR B 32 13.389 11.136 11.503 1.00 0.00 H new ATOM 0 HA TYR B 32 11.945 12.761 13.352 1.00 0.00 H new ATOM 0 HB2 TYR B 32 10.070 12.338 11.207 1.00 0.00 H new ATOM 0 HB3 TYR B 32 10.481 13.828 12.033 1.00 0.00 H new ATOM 0 HD1 TYR B 32 11.604 11.598 9.247 1.00 0.00 H new ATOM 0 HD2 TYR B 32 11.685 15.520 10.912 1.00 0.00 H new ATOM 0 HE1 TYR B 32 12.678 12.443 7.205 1.00 0.00 H new ATOM 0 HE2 TYR B 32 12.751 16.367 8.869 1.00 0.00 H new ATOM 0 HH TYR B 32 13.531 15.894 6.860 1.00 0.00 H new ATOM 1941 N ASN B 33 10.194 10.820 13.537 1.00 0.00 N ATOM 1942 CA ASN B 33 9.530 9.574 13.898 1.00 0.00 C ATOM 1943 C ASN B 33 8.042 9.642 13.576 1.00 0.00 C ATOM 1944 O ASN B 33 7.226 8.977 14.216 1.00 0.00 O ATOM 1945 CB ASN B 33 9.734 9.270 15.383 1.00 0.00 C ATOM 1946 CG ASN B 33 9.636 7.786 15.686 1.00 0.00 C ATOM 1947 OD1 ASN B 33 10.393 6.979 15.149 1.00 0.00 O ATOM 1948 ND2 ASN B 33 8.697 7.420 16.552 1.00 0.00 N ATOM 0 H ASN B 33 9.789 11.653 13.963 1.00 0.00 H new ATOM 0 HA ASN B 33 9.974 8.770 13.311 1.00 0.00 H new ATOM 0 HB2 ASN B 33 10.711 9.639 15.696 1.00 0.00 H new ATOM 0 HB3 ASN B 33 8.988 9.808 15.968 1.00 0.00 H new ATOM 0 HD21 ASN B 33 8.583 6.436 16.795 1.00 0.00 H new ATOM 0 HD22 ASN B 33 8.090 8.123 16.974 1.00 0.00 H new ATOM 1955 N ILE B 34 7.698 10.447 12.577 1.00 0.00 N ATOM 1956 CA ILE B 34 6.309 10.605 12.161 1.00 0.00 C ATOM 1957 C ILE B 34 6.040 9.852 10.862 1.00 0.00 C ATOM 1958 O ILE B 34 6.491 10.262 9.792 1.00 0.00 O ATOM 1959 CB ILE B 34 5.944 12.088 11.965 1.00 0.00 C ATOM 1960 CG1 ILE B 34 6.784 12.971 12.887 1.00 0.00 C ATOM 1961 CG2 ILE B 34 4.458 12.308 12.213 1.00 0.00 C ATOM 1962 CD1 ILE B 34 6.424 12.831 14.348 1.00 0.00 C ATOM 0 H ILE B 34 8.364 11.002 12.039 1.00 0.00 H new ATOM 0 HA ILE B 34 5.690 10.191 12.957 1.00 0.00 H new ATOM 0 HB ILE B 34 6.162 12.366 10.934 1.00 0.00 H new ATOM 0 HG12 ILE B 34 7.837 12.722 12.755 1.00 0.00 H new ATOM 0 HG13 ILE B 34 6.663 14.013 12.589 1.00 0.00 H new ATOM 0 HG21 ILE B 34 4.217 13.361 12.070 1.00 0.00 H new ATOM 0 HG22 ILE B 34 3.879 11.705 11.513 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.212 12.015 13.234 1.00 0.00 H new ATOM 0 HD11 ILE B 34 7.060 13.486 14.944 1.00 0.00 H new ATOM 0 HD12 ILE B 34 5.380 13.108 14.494 1.00 0.00 H new ATOM 0 HD13 ILE B 34 6.572 11.798 14.662 1.00 0.00 H new ATOM 1974 N GLU B 35 5.305 8.749 10.963 1.00 0.00 N ATOM 1975 CA GLU B 35 4.977 7.934 9.797 1.00 0.00 C ATOM 1976 C GLU B 35 4.887 8.793 8.540 1.00 0.00 C ATOM 1977 O GLU B 35 5.746 8.718 7.662 1.00 0.00 O ATOM 1978 CB GLU B 35 3.657 7.196 10.024 1.00 0.00 C ATOM 1979 CG GLU B 35 3.403 6.841 11.479 1.00 0.00 C ATOM 1980 CD GLU B 35 2.510 7.848 12.177 1.00 0.00 C ATOM 1981 OE1 GLU B 35 1.507 8.274 11.567 1.00 0.00 O ATOM 1982 OE2 GLU B 35 2.813 8.210 13.333 1.00 0.00 O ATOM 0 H GLU B 35 4.924 8.398 11.842 1.00 0.00 H new ATOM 0 HA GLU B 35 5.774 7.204 9.657 1.00 0.00 H new ATOM 0 HB2 GLU B 35 2.837 7.815 9.661 1.00 0.00 H new ATOM 0 HB3 GLU B 35 3.654 6.282 9.430 1.00 0.00 H new ATOM 0 HG2 GLU B 35 2.943 5.854 11.534 1.00 0.00 H new ATOM 0 HG3 GLU B 35 4.355 6.779 12.006 1.00 0.00 H new ATOM 1989 N LYS B 36 3.844 9.611 8.460 1.00 0.00 N ATOM 1990 CA LYS B 36 3.649 10.485 7.310 1.00 0.00 C ATOM 1991 C LYS B 36 4.957 11.167 6.925 1.00 0.00 C ATOM 1992 O LYS B 36 5.352 11.163 5.759 1.00 0.00 O ATOM 1993 CB LYS B 36 2.584 11.536 7.620 1.00 0.00 C ATOM 1994 CG LYS B 36 1.470 11.021 8.516 1.00 0.00 C ATOM 1995 CD LYS B 36 0.213 10.714 7.718 1.00 0.00 C ATOM 1996 CE LYS B 36 -0.669 11.943 7.575 1.00 0.00 C ATOM 1997 NZ LYS B 36 -1.591 11.833 6.411 1.00 0.00 N ATOM 0 H LYS B 36 3.122 9.687 9.176 1.00 0.00 H new ATOM 0 HA LYS B 36 3.314 9.877 6.470 1.00 0.00 H new ATOM 0 HB2 LYS B 36 3.058 12.393 8.099 1.00 0.00 H new ATOM 0 HB3 LYS B 36 2.152 11.892 6.685 1.00 0.00 H new ATOM 0 HG2 LYS B 36 1.803 10.121 9.033 1.00 0.00 H new ATOM 0 HG3 LYS B 36 1.244 11.763 9.282 1.00 0.00 H new ATOM 0 HD2 LYS B 36 0.489 10.346 6.730 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -0.347 9.918 8.210 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -1.250 12.081 8.487 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -0.043 12.828 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -2.356 12.530 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -1.065 12.016 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -1.997 10.876 6.379 1.00 0.00 H new ATOM 2011 N ASP B 37 5.628 11.748 7.915 1.00 0.00 N ATOM 2012 CA ASP B 37 6.896 12.430 7.681 1.00 0.00 C ATOM 2013 C ASP B 37 7.898 11.492 7.016 1.00 0.00 C ATOM 2014 O ASP B 37 8.360 11.746 5.904 1.00 0.00 O ATOM 2015 CB ASP B 37 7.466 12.957 9.000 1.00 0.00 C ATOM 2016 CG ASP B 37 8.083 14.334 8.853 1.00 0.00 C ATOM 2017 OD1 ASP B 37 7.348 15.333 8.999 1.00 0.00 O ATOM 2018 OD2 ASP B 37 9.302 14.413 8.588 1.00 0.00 O ATOM 0 H ASP B 37 5.315 11.760 8.886 1.00 0.00 H new ATOM 0 HA ASP B 37 6.713 13.272 7.013 1.00 0.00 H new ATOM 0 HB2 ASP B 37 6.672 12.995 9.746 1.00 0.00 H new ATOM 0 HB3 ASP B 37 8.219 12.262 9.371 1.00 0.00 H new ATOM 2023 N ILE B 38 8.228 10.402 7.703 1.00 0.00 N ATOM 2024 CA ILE B 38 9.171 9.425 7.175 1.00 0.00 C ATOM 2025 C ILE B 38 8.852 9.090 5.723 1.00 0.00 C ATOM 2026 O ILE B 38 9.696 9.248 4.840 1.00 0.00 O ATOM 2027 CB ILE B 38 9.161 8.127 8.006 1.00 0.00 C ATOM 2028 CG1 ILE B 38 9.039 8.452 9.496 1.00 0.00 C ATOM 2029 CG2 ILE B 38 10.419 7.315 7.735 1.00 0.00 C ATOM 2030 CD1 ILE B 38 8.306 7.391 10.288 1.00 0.00 C ATOM 0 H ILE B 38 7.856 10.175 8.625 1.00 0.00 H new ATOM 0 HA ILE B 38 10.162 9.875 7.234 1.00 0.00 H new ATOM 0 HB ILE B 38 8.298 7.530 7.712 1.00 0.00 H new ATOM 0 HG12 ILE B 38 10.037 8.581 9.914 1.00 0.00 H new ATOM 0 HG13 ILE B 38 8.520 9.403 9.611 1.00 0.00 H new ATOM 0 HG21 ILE B 38 10.397 6.401 8.329 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.466 7.059 6.677 1.00 0.00 H new ATOM 0 HG23 ILE B 38 11.296 7.903 8.005 1.00 0.00 H new ATOM 0 HD11 ILE B 38 8.257 7.688 11.336 1.00 0.00 H new ATOM 0 HD12 ILE B 38 7.295 7.277 9.896 1.00 0.00 H new ATOM 0 HD13 ILE B 38 8.837 6.443 10.204 1.00 0.00 H new ATOM 2042 N ALA B 39 7.629 8.634 5.479 1.00 0.00 N ATOM 2043 CA ALA B 39 7.202 8.284 4.131 1.00 0.00 C ATOM 2044 C ALA B 39 7.633 9.355 3.137 1.00 0.00 C ATOM 2045 O ALA B 39 8.181 9.051 2.078 1.00 0.00 O ATOM 2046 CB ALA B 39 5.693 8.093 4.084 1.00 0.00 C ATOM 0 H ALA B 39 6.917 8.498 6.197 1.00 0.00 H new ATOM 0 HA ALA B 39 7.679 7.344 3.853 1.00 0.00 H new ATOM 0 HB1 ALA B 39 5.391 7.832 3.070 1.00 0.00 H new ATOM 0 HB2 ALA B 39 5.406 7.292 4.766 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.200 9.018 4.383 1.00 0.00 H new ATOM 2052 N ALA B 40 7.392 10.612 3.494 1.00 0.00 N ATOM 2053 CA ALA B 40 7.765 11.732 2.642 1.00 0.00 C ATOM 2054 C ALA B 40 9.281 11.817 2.508 1.00 0.00 C ATOM 2055 O ALA B 40 9.832 11.623 1.426 1.00 0.00 O ATOM 2056 CB ALA B 40 7.208 13.029 3.205 1.00 0.00 C ATOM 0 H ALA B 40 6.940 10.879 4.368 1.00 0.00 H new ATOM 0 HA ALA B 40 7.340 11.572 1.651 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.494 13.859 2.559 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.121 12.967 3.256 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.609 13.193 4.205 1.00 0.00 H new ATOM 2062 N HIS B 41 9.945 12.102 3.623 1.00 0.00 N ATOM 2063 CA HIS B 41 11.400 12.204 3.643 1.00 0.00 C ATOM 2064 C HIS B 41 12.027 11.166 2.720 1.00 0.00 C ATOM 2065 O HIS B 41 13.052 11.418 2.088 1.00 0.00 O ATOM 2066 CB HIS B 41 11.922 12.021 5.071 1.00 0.00 C ATOM 2067 CG HIS B 41 13.397 11.777 5.150 1.00 0.00 C ATOM 2068 ND1 HIS B 41 14.242 12.524 5.944 1.00 0.00 N ATOM 2069 CD2 HIS B 41 14.179 10.858 4.535 1.00 0.00 C ATOM 2070 CE1 HIS B 41 15.478 12.078 5.814 1.00 0.00 C ATOM 2071 NE2 HIS B 41 15.467 11.067 4.965 1.00 0.00 N ATOM 0 H HIS B 41 9.499 12.267 4.525 1.00 0.00 H new ATOM 0 HA HIS B 41 11.679 13.195 3.286 1.00 0.00 H new ATOM 0 HB2 HIS B 41 11.679 12.910 5.653 1.00 0.00 H new ATOM 0 HB3 HIS B 41 11.400 11.184 5.534 1.00 0.00 H new ATOM 0 HD1 HIS B 41 13.956 13.301 6.540 1.00 0.00 H new ATOM 0 HD2 HIS B 41 13.851 10.102 3.837 1.00 0.00 H new ATOM 0 HE1 HIS B 41 16.349 12.473 6.316 1.00 0.00 H new ATOM 2080 N ILE B 42 11.401 9.996 2.645 1.00 0.00 N ATOM 2081 CA ILE B 42 11.894 8.920 1.795 1.00 0.00 C ATOM 2082 C ILE B 42 11.631 9.223 0.326 1.00 0.00 C ATOM 2083 O ILE B 42 12.561 9.440 -0.450 1.00 0.00 O ATOM 2084 CB ILE B 42 11.242 7.572 2.157 1.00 0.00 C ATOM 2085 CG1 ILE B 42 11.484 7.246 3.633 1.00 0.00 C ATOM 2086 CG2 ILE B 42 11.784 6.462 1.268 1.00 0.00 C ATOM 2087 CD1 ILE B 42 10.504 6.242 4.201 1.00 0.00 C ATOM 0 H ILE B 42 10.552 9.770 3.163 1.00 0.00 H new ATOM 0 HA ILE B 42 12.969 8.848 1.963 1.00 0.00 H new ATOM 0 HB ILE B 42 10.168 7.649 1.991 1.00 0.00 H new ATOM 0 HG12 ILE B 42 12.496 6.859 3.750 1.00 0.00 H new ATOM 0 HG13 ILE B 42 11.426 8.166 4.214 1.00 0.00 H new ATOM 0 HG21 ILE B 42 11.313 5.517 1.538 1.00 0.00 H new ATOM 0 HG22 ILE B 42 11.566 6.692 0.225 1.00 0.00 H new ATOM 0 HG23 ILE B 42 12.862 6.381 1.404 1.00 0.00 H new ATOM 0 HD11 ILE B 42 10.737 6.060 5.250 1.00 0.00 H new ATOM 0 HD12 ILE B 42 9.491 6.635 4.117 1.00 0.00 H new ATOM 0 HD13 ILE B 42 10.578 5.307 3.645 1.00 0.00 H new ATOM 2099 N LYS B 43 10.356 9.247 -0.048 1.00 0.00 N ATOM 2100 CA LYS B 43 9.973 9.534 -1.425 1.00 0.00 C ATOM 2101 C LYS B 43 10.697 10.777 -1.933 1.00 0.00 C ATOM 2102 O LYS B 43 10.881 10.953 -3.138 1.00 0.00 O ATOM 2103 CB LYS B 43 8.457 9.726 -1.528 1.00 0.00 C ATOM 2104 CG LYS B 43 7.934 10.896 -0.710 1.00 0.00 C ATOM 2105 CD LYS B 43 8.252 12.227 -1.374 1.00 0.00 C ATOM 2106 CE LYS B 43 7.131 12.666 -2.304 1.00 0.00 C ATOM 2107 NZ LYS B 43 7.174 14.129 -2.580 1.00 0.00 N ATOM 0 H LYS B 43 9.573 9.072 0.581 1.00 0.00 H new ATOM 0 HA LYS B 43 10.261 8.686 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS B 43 8.189 9.876 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS B 43 7.961 8.813 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS B 43 6.856 10.800 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS B 43 8.375 10.871 0.286 1.00 0.00 H new ATOM 0 HD2 LYS B 43 8.411 12.988 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS B 43 9.181 12.141 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS B 43 7.204 12.118 -3.243 1.00 0.00 H new ATOM 0 HE3 LYS B 43 6.170 12.409 -1.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 6.393 14.385 -3.217 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 7.078 14.654 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 8.081 14.371 -3.029 1.00 0.00 H new ATOM 2121 N LYS B 44 11.109 11.635 -1.004 1.00 0.00 N ATOM 2122 CA LYS B 44 11.817 12.862 -1.354 1.00 0.00 C ATOM 2123 C LYS B 44 13.256 12.560 -1.759 1.00 0.00 C ATOM 2124 O LYS B 44 13.682 12.878 -2.870 1.00 0.00 O ATOM 2125 CB LYS B 44 11.799 13.844 -0.180 1.00 0.00 C ATOM 2126 CG LYS B 44 12.429 15.189 -0.504 1.00 0.00 C ATOM 2127 CD LYS B 44 13.384 15.639 0.590 1.00 0.00 C ATOM 2128 CE LYS B 44 14.205 16.844 0.154 1.00 0.00 C ATOM 2129 NZ LYS B 44 15.558 16.450 -0.327 1.00 0.00 N ATOM 0 H LYS B 44 10.965 11.503 -0.003 1.00 0.00 H new ATOM 0 HA LYS B 44 11.306 13.317 -2.203 1.00 0.00 H new ATOM 0 HB2 LYS B 44 10.768 14.002 0.136 1.00 0.00 H new ATOM 0 HB3 LYS B 44 12.326 13.399 0.664 1.00 0.00 H new ATOM 0 HG2 LYS B 44 12.965 15.121 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS B 44 11.646 15.936 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS B 44 12.819 15.889 1.488 1.00 0.00 H new ATOM 0 HD3 LYS B 44 14.052 14.818 0.852 1.00 0.00 H new ATOM 0 HE2 LYS B 44 13.678 17.374 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS B 44 14.304 17.537 0.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 16.085 17.299 -0.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 16.071 15.966 0.438 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 15.464 15.809 -1.141 1.00 0.00 H new ATOM 2143 N GLU B 45 13.998 11.941 -0.849 1.00 0.00 N ATOM 2144 CA GLU B 45 15.389 11.591 -1.109 1.00 0.00 C ATOM 2145 C GLU B 45 15.488 10.600 -2.262 1.00 0.00 C ATOM 2146 O GLU B 45 16.469 10.592 -3.004 1.00 0.00 O ATOM 2147 CB GLU B 45 16.032 11.001 0.147 1.00 0.00 C ATOM 2148 CG GLU B 45 16.971 11.963 0.856 1.00 0.00 C ATOM 2149 CD GLU B 45 17.517 11.396 2.152 1.00 0.00 C ATOM 2150 OE1 GLU B 45 18.536 10.675 2.103 1.00 0.00 O ATOM 2151 OE2 GLU B 45 16.927 11.677 3.217 1.00 0.00 O ATOM 0 H GLU B 45 13.660 11.671 0.075 1.00 0.00 H new ATOM 0 HA GLU B 45 15.924 12.499 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU B 45 15.247 10.696 0.839 1.00 0.00 H new ATOM 0 HB3 GLU B 45 16.584 10.101 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU B 45 17.801 12.210 0.194 1.00 0.00 H new ATOM 0 HG3 GLU B 45 16.443 12.893 1.065 1.00 0.00 H new ATOM 2158 N PHE B 46 14.463 9.770 -2.408 1.00 0.00 N ATOM 2159 CA PHE B 46 14.429 8.775 -3.473 1.00 0.00 C ATOM 2160 C PHE B 46 14.254 9.441 -4.831 1.00 0.00 C ATOM 2161 O PHE B 46 14.911 9.075 -5.806 1.00 0.00 O ATOM 2162 CB PHE B 46 13.291 7.784 -3.235 1.00 0.00 C ATOM 2163 CG PHE B 46 13.764 6.415 -2.853 1.00 0.00 C ATOM 2164 CD1 PHE B 46 14.197 5.523 -3.820 1.00 0.00 C ATOM 2165 CD2 PHE B 46 13.778 6.021 -1.527 1.00 0.00 C ATOM 2166 CE1 PHE B 46 14.636 4.261 -3.470 1.00 0.00 C ATOM 2167 CE2 PHE B 46 14.217 4.763 -1.170 1.00 0.00 C ATOM 2168 CZ PHE B 46 14.646 3.880 -2.143 1.00 0.00 C ATOM 0 H PHE B 46 13.643 9.766 -1.802 1.00 0.00 H new ATOM 0 HA PHE B 46 15.379 8.240 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE B 46 12.643 8.169 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE B 46 12.687 7.712 -4.139 1.00 0.00 H new ATOM 0 HD1 PHE B 46 14.191 5.817 -4.859 1.00 0.00 H new ATOM 0 HD2 PHE B 46 13.441 6.706 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE B 46 14.971 3.574 -4.233 1.00 0.00 H new ATOM 0 HE2 PHE B 46 14.226 4.468 -0.131 1.00 0.00 H new ATOM 0 HZ PHE B 46 14.988 2.894 -1.866 1.00 0.00 H new ATOM 2178 N ASP B 47 13.358 10.418 -4.885 1.00 0.00 N ATOM 2179 CA ASP B 47 13.083 11.140 -6.119 1.00 0.00 C ATOM 2180 C ASP B 47 14.317 11.899 -6.599 1.00 0.00 C ATOM 2181 O ASP B 47 14.566 11.998 -7.800 1.00 0.00 O ATOM 2182 CB ASP B 47 11.911 12.106 -5.911 1.00 0.00 C ATOM 2183 CG ASP B 47 12.107 13.431 -6.623 1.00 0.00 C ATOM 2184 OD1 ASP B 47 13.117 14.111 -6.345 1.00 0.00 O ATOM 2185 OD2 ASP B 47 11.250 13.787 -7.459 1.00 0.00 O ATOM 0 H ASP B 47 12.808 10.729 -4.085 1.00 0.00 H new ATOM 0 HA ASP B 47 12.815 10.415 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP B 47 10.993 11.639 -6.269 1.00 0.00 H new ATOM 0 HB3 ASP B 47 11.781 12.288 -4.844 1.00 0.00 H new ATOM 2190 N LYS B 48 15.081 12.442 -5.661 1.00 0.00 N ATOM 2191 CA LYS B 48 16.277 13.201 -6.005 1.00 0.00 C ATOM 2192 C LYS B 48 17.512 12.306 -6.080 1.00 0.00 C ATOM 2193 O LYS B 48 18.490 12.643 -6.747 1.00 0.00 O ATOM 2194 CB LYS B 48 16.502 14.318 -4.986 1.00 0.00 C ATOM 2195 CG LYS B 48 15.886 15.644 -5.397 1.00 0.00 C ATOM 2196 CD LYS B 48 16.576 16.221 -6.621 1.00 0.00 C ATOM 2197 CE LYS B 48 17.900 16.872 -6.257 1.00 0.00 C ATOM 2198 NZ LYS B 48 18.111 18.151 -6.990 1.00 0.00 N ATOM 0 H LYS B 48 14.896 12.372 -4.660 1.00 0.00 H new ATOM 0 HA LYS B 48 16.120 13.636 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS B 48 16.084 14.014 -4.026 1.00 0.00 H new ATOM 0 HB3 LYS B 48 17.573 14.454 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.826 15.504 -5.607 1.00 0.00 H new ATOM 0 HG3 LYS B 48 15.957 16.351 -4.571 1.00 0.00 H new ATOM 0 HD2 LYS B 48 16.747 15.430 -7.351 1.00 0.00 H new ATOM 0 HD3 LYS B 48 15.925 16.956 -7.094 1.00 0.00 H new ATOM 0 HE2 LYS B 48 17.929 17.060 -5.184 1.00 0.00 H new ATOM 0 HE3 LYS B 48 18.716 16.186 -6.483 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 19.025 18.563 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 18.109 17.969 -8.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 17.347 18.816 -6.755 1.00 0.00 H new ATOM 2212 N LYS B 49 17.472 11.174 -5.385 1.00 0.00 N ATOM 2213 CA LYS B 49 18.601 10.250 -5.374 1.00 0.00 C ATOM 2214 C LYS B 49 18.498 9.211 -6.487 1.00 0.00 C ATOM 2215 O LYS B 49 19.464 8.505 -6.774 1.00 0.00 O ATOM 2216 CB LYS B 49 18.695 9.546 -4.019 1.00 0.00 C ATOM 2217 CG LYS B 49 20.121 9.334 -3.540 1.00 0.00 C ATOM 2218 CD LYS B 49 20.565 7.893 -3.730 1.00 0.00 C ATOM 2219 CE LYS B 49 21.997 7.814 -4.231 1.00 0.00 C ATOM 2220 NZ LYS B 49 22.670 6.560 -3.794 1.00 0.00 N ATOM 0 H LYS B 49 16.674 10.875 -4.824 1.00 0.00 H new ATOM 0 HA LYS B 49 19.503 10.837 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS B 49 18.155 10.133 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS B 49 18.196 8.579 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS B 49 20.792 9.997 -4.086 1.00 0.00 H new ATOM 0 HG3 LYS B 49 20.196 9.603 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS B 49 20.479 7.357 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS B 49 19.902 7.397 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS B 49 22.004 7.869 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS B 49 22.558 8.674 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 23.645 6.545 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 22.686 6.519 -2.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 22.150 5.739 -4.165 1.00 0.00 H new ATOM 2234 N TYR B 50 17.326 9.110 -7.107 1.00 0.00 N ATOM 2235 CA TYR B 50 17.122 8.139 -8.177 1.00 0.00 C ATOM 2236 C TYR B 50 16.579 8.795 -9.444 1.00 0.00 C ATOM 2237 O TYR B 50 17.292 8.916 -10.441 1.00 0.00 O ATOM 2238 CB TYR B 50 16.169 7.037 -7.711 1.00 0.00 C ATOM 2239 CG TYR B 50 16.600 6.377 -6.421 1.00 0.00 C ATOM 2240 CD1 TYR B 50 16.648 7.097 -5.233 1.00 0.00 C ATOM 2241 CD2 TYR B 50 16.963 5.036 -6.390 1.00 0.00 C ATOM 2242 CE1 TYR B 50 17.044 6.499 -4.051 1.00 0.00 C ATOM 2243 CE2 TYR B 50 17.360 4.431 -5.212 1.00 0.00 C ATOM 2244 CZ TYR B 50 17.399 5.166 -4.046 1.00 0.00 C ATOM 2245 OH TYR B 50 17.794 4.568 -2.872 1.00 0.00 O ATOM 0 H TYR B 50 16.510 9.683 -6.890 1.00 0.00 H new ATOM 0 HA TYR B 50 18.093 7.705 -8.418 1.00 0.00 H new ATOM 0 HB2 TYR B 50 15.173 7.460 -7.579 1.00 0.00 H new ATOM 0 HB3 TYR B 50 16.093 6.279 -8.491 1.00 0.00 H new ATOM 0 HD1 TYR B 50 16.371 8.141 -5.233 1.00 0.00 H new ATOM 0 HD2 TYR B 50 16.935 4.457 -7.301 1.00 0.00 H new ATOM 0 HE1 TYR B 50 17.075 7.072 -3.136 1.00 0.00 H new ATOM 0 HE2 TYR B 50 17.638 3.387 -5.205 1.00 0.00 H new ATOM 0 HH TYR B 50 17.008 4.222 -2.400 1.00 0.00 H new ATOM 2255 N ASN B 51 15.316 9.208 -9.404 1.00 0.00 N ATOM 2256 CA ASN B 51 14.676 9.838 -10.546 1.00 0.00 C ATOM 2257 C ASN B 51 13.164 9.794 -10.375 1.00 0.00 C ATOM 2258 O ASN B 51 12.563 8.720 -10.381 1.00 0.00 O ATOM 2259 CB ASN B 51 15.081 9.137 -11.845 1.00 0.00 C ATOM 2260 CG ASN B 51 16.115 9.924 -12.627 1.00 0.00 C ATOM 2261 OD1 ASN B 51 16.354 11.100 -12.352 1.00 0.00 O ATOM 2262 ND2 ASN B 51 16.735 9.277 -13.608 1.00 0.00 N ATOM 0 H ASN B 51 14.715 9.115 -8.585 1.00 0.00 H new ATOM 0 HA ASN B 51 15.001 10.877 -10.602 1.00 0.00 H new ATOM 0 HB2 ASN B 51 15.479 8.149 -11.613 1.00 0.00 H new ATOM 0 HB3 ASN B 51 14.197 8.987 -12.465 1.00 0.00 H new ATOM 0 HD21 ASN B 51 17.441 9.755 -14.168 1.00 0.00 H new ATOM 0 HD22 ASN B 51 16.505 8.302 -13.801 1.00 0.00 H new ATOM 2269 N PRO B 52 12.525 10.961 -10.213 1.00 0.00 N ATOM 2270 CA PRO B 52 11.085 11.045 -10.031 1.00 0.00 C ATOM 2271 C PRO B 52 10.324 9.994 -10.845 1.00 0.00 C ATOM 2272 O PRO B 52 10.765 9.612 -11.929 1.00 0.00 O ATOM 2273 CB PRO B 52 10.779 12.444 -10.534 1.00 0.00 C ATOM 2274 CG PRO B 52 11.977 13.245 -10.158 1.00 0.00 C ATOM 2275 CD PRO B 52 13.153 12.299 -10.191 1.00 0.00 C ATOM 0 HA PRO B 52 10.781 10.860 -9.001 1.00 0.00 H new ATOM 0 HB2 PRO B 52 10.618 12.452 -11.612 1.00 0.00 H new ATOM 0 HB3 PRO B 52 9.875 12.842 -10.074 1.00 0.00 H new ATOM 0 HG2 PRO B 52 12.125 14.072 -10.853 1.00 0.00 H new ATOM 0 HG3 PRO B 52 11.857 13.680 -9.166 1.00 0.00 H new ATOM 0 HD2 PRO B 52 13.775 12.464 -11.071 1.00 0.00 H new ATOM 0 HD3 PRO B 52 13.794 12.426 -9.319 1.00 0.00 H new ATOM 2283 N THR B 53 9.178 9.525 -10.329 1.00 0.00 N ATOM 2284 CA THR B 53 8.641 9.968 -9.044 1.00 0.00 C ATOM 2285 C THR B 53 8.424 8.775 -8.124 1.00 0.00 C ATOM 2286 O THR B 53 7.939 7.729 -8.553 1.00 0.00 O ATOM 2287 CB THR B 53 7.331 10.736 -9.250 1.00 0.00 C ATOM 2288 OG1 THR B 53 7.591 12.070 -9.649 1.00 0.00 O ATOM 2289 CG2 THR B 53 6.459 10.791 -8.014 1.00 0.00 C ATOM 0 H THR B 53 8.600 8.826 -10.796 1.00 0.00 H new ATOM 0 HA THR B 53 9.362 10.638 -8.576 1.00 0.00 H new ATOM 0 HB THR B 53 6.797 10.185 -10.024 1.00 0.00 H new ATOM 0 HG1 THR B 53 6.743 12.544 -9.777 1.00 0.00 H new ATOM 0 HG21 THR B 53 5.550 11.350 -8.235 1.00 0.00 H new ATOM 0 HG22 THR B 53 6.197 9.778 -7.708 1.00 0.00 H new ATOM 0 HG23 THR B 53 7.001 11.285 -7.208 1.00 0.00 H new ATOM 2297 N TRP B 54 8.805 8.930 -6.863 1.00 0.00 N ATOM 2298 CA TRP B 54 8.669 7.854 -5.895 1.00 0.00 C ATOM 2299 C TRP B 54 7.484 8.064 -4.962 1.00 0.00 C ATOM 2300 O TRP B 54 7.346 9.114 -4.331 1.00 0.00 O ATOM 2301 CB TRP B 54 9.948 7.722 -5.071 1.00 0.00 C ATOM 2302 CG TRP B 54 11.148 7.358 -5.886 1.00 0.00 C ATOM 2303 CD1 TRP B 54 11.854 8.179 -6.718 1.00 0.00 C ATOM 2304 CD2 TRP B 54 11.782 6.078 -5.950 1.00 0.00 C ATOM 2305 NE1 TRP B 54 12.890 7.487 -7.295 1.00 0.00 N ATOM 2306 CE2 TRP B 54 12.868 6.194 -6.838 1.00 0.00 C ATOM 2307 CE3 TRP B 54 11.537 4.845 -5.341 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 13.707 5.121 -7.131 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 12.369 3.781 -5.632 1.00 0.00 C ATOM 2310 CH2 TRP B 54 13.443 3.925 -6.519 1.00 0.00 C ATOM 0 H TRP B 54 9.209 9.788 -6.489 1.00 0.00 H new ATOM 0 HA TRP B 54 8.492 6.938 -6.458 1.00 0.00 H new ATOM 0 HB2 TRP B 54 10.139 8.665 -4.558 1.00 0.00 H new ATOM 0 HB3 TRP B 54 9.798 6.965 -4.301 1.00 0.00 H new ATOM 0 HD1 TRP B 54 11.630 9.220 -6.896 1.00 0.00 H new ATOM 0 HE1 TRP B 54 13.565 7.872 -7.955 1.00 0.00 H new ATOM 0 HE3 TRP B 54 10.712 4.725 -4.655 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 14.535 5.229 -7.816 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 12.188 2.823 -5.168 1.00 0.00 H new ATOM 0 HH2 TRP B 54 14.076 3.075 -6.725 1.00 0.00 H new ATOM 2321 N HIS B 55 6.657 7.033 -4.853 1.00 0.00 N ATOM 2322 CA HIS B 55 5.502 7.050 -3.969 1.00 0.00 C ATOM 2323 C HIS B 55 5.754 6.048 -2.855 1.00 0.00 C ATOM 2324 O HIS B 55 5.908 4.854 -3.114 1.00 0.00 O ATOM 2325 CB HIS B 55 4.225 6.698 -4.736 1.00 0.00 C ATOM 2326 CG HIS B 55 4.224 7.184 -6.153 1.00 0.00 C ATOM 2327 ND1 HIS B 55 3.818 8.452 -6.515 1.00 0.00 N ATOM 2328 CD2 HIS B 55 4.585 6.565 -7.303 1.00 0.00 C ATOM 2329 CE1 HIS B 55 3.928 8.590 -7.825 1.00 0.00 C ATOM 2330 NE2 HIS B 55 4.393 7.461 -8.326 1.00 0.00 N ATOM 0 H HIS B 55 6.769 6.163 -5.374 1.00 0.00 H new ATOM 0 HA HIS B 55 5.363 8.048 -3.553 1.00 0.00 H new ATOM 0 HB2 HIS B 55 4.095 5.616 -4.732 1.00 0.00 H new ATOM 0 HB3 HIS B 55 3.368 7.124 -4.214 1.00 0.00 H new ATOM 0 HD2 HIS B 55 4.955 5.555 -7.398 1.00 0.00 H new ATOM 0 HE1 HIS B 55 3.679 9.476 -8.390 1.00 0.00 H new ATOM 0 HE2 HIS B 55 4.580 7.283 -9.313 1.00 0.00 H new ATOM 2339 N CYS B 56 5.853 6.530 -1.625 1.00 0.00 N ATOM 2340 CA CYS B 56 6.154 5.651 -0.509 1.00 0.00 C ATOM 2341 C CYS B 56 5.261 5.903 0.692 1.00 0.00 C ATOM 2342 O CYS B 56 4.518 6.882 0.751 1.00 0.00 O ATOM 2343 CB CYS B 56 7.612 5.828 -0.100 1.00 0.00 C ATOM 2344 SG CYS B 56 8.627 6.675 -1.334 1.00 0.00 S ATOM 0 H CYS B 56 5.731 7.512 -1.378 1.00 0.00 H new ATOM 0 HA CYS B 56 5.969 4.630 -0.844 1.00 0.00 H new ATOM 0 HB2 CYS B 56 7.651 6.389 0.834 1.00 0.00 H new ATOM 0 HB3 CYS B 56 8.044 4.847 0.099 1.00 0.00 H new ATOM 0 HG CYS B 56 8.472 6.102 -2.491 1.00 0.00 H new ATOM 2350 N ILE B 57 5.364 4.997 1.652 1.00 0.00 N ATOM 2351 CA ILE B 57 4.596 5.077 2.884 1.00 0.00 C ATOM 2352 C ILE B 57 5.374 4.450 4.035 1.00 0.00 C ATOM 2353 O ILE B 57 6.365 3.754 3.814 1.00 0.00 O ATOM 2354 CB ILE B 57 3.237 4.379 2.731 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.425 5.098 1.657 1.00 0.00 C ATOM 2356 CG2 ILE B 57 2.488 4.354 4.057 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.030 4.558 1.493 1.00 0.00 C ATOM 0 H ILE B 57 5.981 4.187 1.599 1.00 0.00 H new ATOM 0 HA ILE B 57 4.420 6.130 3.103 1.00 0.00 H new ATOM 0 HB ILE B 57 3.395 3.344 2.428 1.00 0.00 H new ATOM 0 HG12 ILE B 57 2.368 6.158 1.905 1.00 0.00 H new ATOM 0 HG13 ILE B 57 2.950 5.021 0.705 1.00 0.00 H new ATOM 0 HG21 ILE B 57 1.528 3.855 3.923 1.00 0.00 H new ATOM 0 HG22 ILE B 57 3.078 3.814 4.798 1.00 0.00 H new ATOM 0 HG23 ILE B 57 2.321 5.375 4.400 1.00 0.00 H new ATOM 0 HD11 ILE B 57 0.513 5.117 0.713 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.078 3.505 1.214 1.00 0.00 H new ATOM 0 HD13 ILE B 57 0.488 4.660 2.433 1.00 0.00 H new ATOM 2369 N VAL B 58 4.934 4.702 5.260 1.00 0.00 N ATOM 2370 CA VAL B 58 5.610 4.157 6.430 1.00 0.00 C ATOM 2371 C VAL B 58 4.700 4.179 7.649 1.00 0.00 C ATOM 2372 O VAL B 58 4.306 5.245 8.122 1.00 0.00 O ATOM 2373 CB VAL B 58 6.904 4.931 6.745 1.00 0.00 C ATOM 2374 CG1 VAL B 58 6.647 6.427 6.723 1.00 0.00 C ATOM 2375 CG2 VAL B 58 7.476 4.499 8.086 1.00 0.00 C ATOM 0 H VAL B 58 4.117 5.276 5.469 1.00 0.00 H new ATOM 0 HA VAL B 58 5.867 3.124 6.195 1.00 0.00 H new ATOM 0 HB VAL B 58 7.640 4.700 5.975 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.572 6.958 6.948 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.290 6.720 5.736 1.00 0.00 H new ATOM 0 HG13 VAL B 58 5.894 6.678 7.470 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.390 5.058 8.289 1.00 0.00 H new ATOM 0 HG22 VAL B 58 6.748 4.696 8.873 1.00 0.00 H new ATOM 0 HG23 VAL B 58 7.701 3.433 8.059 1.00 0.00 H new ATOM 2385 N GLY B 59 4.374 2.996 8.156 1.00 0.00 N ATOM 2386 CA GLY B 59 3.513 2.900 9.317 1.00 0.00 C ATOM 2387 C GLY B 59 4.015 1.886 10.319 1.00 0.00 C ATOM 2388 O GLY B 59 5.062 2.081 10.937 1.00 0.00 O ATOM 0 H GLY B 59 4.691 2.101 7.783 1.00 0.00 H new ATOM 0 HA2 GLY B 59 3.442 3.877 9.796 1.00 0.00 H new ATOM 0 HA3 GLY B 59 2.507 2.627 8.999 1.00 0.00 H new ATOM 2392 N ARG B 60 3.268 0.803 10.492 1.00 0.00 N ATOM 2393 CA ARG B 60 3.648 -0.230 11.433 1.00 0.00 C ATOM 2394 C ARG B 60 2.572 -1.304 11.552 1.00 0.00 C ATOM 2395 O ARG B 60 2.758 -2.302 12.247 1.00 0.00 O ATOM 2396 CB ARG B 60 3.892 0.408 12.788 1.00 0.00 C ATOM 2397 CG ARG B 60 2.752 1.303 13.244 1.00 0.00 C ATOM 2398 CD ARG B 60 3.259 2.489 14.047 1.00 0.00 C ATOM 2399 NE ARG B 60 2.482 3.697 13.784 1.00 0.00 N ATOM 2400 CZ ARG B 60 1.702 4.281 14.688 1.00 0.00 C ATOM 2401 NH1 ARG B 60 1.605 3.774 15.909 1.00 0.00 N ATOM 2402 NH2 ARG B 60 1.022 5.374 14.372 1.00 0.00 N ATOM 0 H ARG B 60 2.398 0.622 9.992 1.00 0.00 H new ATOM 0 HA ARG B 60 4.556 -0.713 11.072 1.00 0.00 H new ATOM 0 HB2 ARG B 60 4.048 -0.376 13.529 1.00 0.00 H new ATOM 0 HB3 ARG B 60 4.810 0.994 12.746 1.00 0.00 H new ATOM 0 HG2 ARG B 60 2.200 1.661 12.375 1.00 0.00 H new ATOM 0 HG3 ARG B 60 2.054 0.724 13.849 1.00 0.00 H new ATOM 0 HD2 ARG B 60 3.215 2.253 15.110 1.00 0.00 H new ATOM 0 HD3 ARG B 60 4.306 2.671 13.804 1.00 0.00 H new ATOM 0 HE ARG B 60 2.541 4.116 12.856 1.00 0.00 H new ATOM 0 HH11 ARG B 60 2.129 2.935 16.156 1.00 0.00 H new ATOM 0 HH12 ARG B 60 1.006 4.223 16.602 1.00 0.00 H new ATOM 0 HH21 ARG B 60 1.097 5.768 13.434 1.00 0.00 H new ATOM 0 HH22 ARG B 60 0.424 5.821 15.067 1.00 0.00 H new ATOM 2416 N ASN B 61 1.447 -1.095 10.878 1.00 0.00 N ATOM 2417 CA ASN B 61 0.349 -2.053 10.926 1.00 0.00 C ATOM 2418 C ASN B 61 -0.733 -1.712 9.907 1.00 0.00 C ATOM 2419 O ASN B 61 -1.920 -1.924 10.158 1.00 0.00 O ATOM 2420 CB ASN B 61 -0.254 -2.088 12.332 1.00 0.00 C ATOM 2421 CG ASN B 61 0.061 -0.835 13.126 1.00 0.00 C ATOM 2422 OD1 ASN B 61 0.353 0.218 12.558 1.00 0.00 O ATOM 2423 ND2 ASN B 61 0.005 -0.942 14.449 1.00 0.00 N ATOM 0 H ASN B 61 1.272 -0.276 10.295 1.00 0.00 H new ATOM 0 HA ASN B 61 0.750 -3.035 10.677 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -1.335 -2.206 12.258 1.00 0.00 H new ATOM 0 HB3 ASN B 61 0.126 -2.959 12.866 1.00 0.00 H new ATOM 0 HD21 ASN B 61 0.208 -0.132 15.035 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -0.241 -1.834 14.879 1.00 0.00 H new ATOM 2430 N PHE B 62 -0.324 -1.185 8.759 1.00 0.00 N ATOM 2431 CA PHE B 62 -1.270 -0.822 7.712 1.00 0.00 C ATOM 2432 C PHE B 62 -1.328 -1.895 6.628 1.00 0.00 C ATOM 2433 O PHE B 62 -0.780 -2.985 6.789 1.00 0.00 O ATOM 2434 CB PHE B 62 -0.884 0.522 7.096 1.00 0.00 C ATOM 2435 CG PHE B 62 0.265 0.427 6.134 1.00 0.00 C ATOM 2436 CD1 PHE B 62 0.062 -0.016 4.840 1.00 0.00 C ATOM 2437 CD2 PHE B 62 1.547 0.775 6.527 1.00 0.00 C ATOM 2438 CE1 PHE B 62 1.115 -0.110 3.952 1.00 0.00 C ATOM 2439 CE2 PHE B 62 2.605 0.683 5.644 1.00 0.00 C ATOM 2440 CZ PHE B 62 2.389 0.238 4.354 1.00 0.00 C ATOM 0 H PHE B 62 0.653 -1.000 8.530 1.00 0.00 H new ATOM 0 HA PHE B 62 -2.259 -0.739 8.164 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -1.748 0.938 6.579 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -0.624 1.218 7.894 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -0.932 -0.292 4.520 1.00 0.00 H new ATOM 0 HD2 PHE B 62 1.721 1.122 7.535 1.00 0.00 H new ATOM 0 HE1 PHE B 62 0.942 -0.456 2.943 1.00 0.00 H new ATOM 0 HE2 PHE B 62 3.600 0.959 5.961 1.00 0.00 H new ATOM 0 HZ PHE B 62 3.215 0.163 3.662 1.00 0.00 H new ATOM 2450 N GLY B 63 -1.993 -1.572 5.524 1.00 0.00 N ATOM 2451 CA GLY B 63 -2.110 -2.508 4.421 1.00 0.00 C ATOM 2452 C GLY B 63 -2.155 -1.797 3.084 1.00 0.00 C ATOM 2453 O GLY B 63 -3.210 -1.325 2.659 1.00 0.00 O ATOM 0 H GLY B 63 -2.455 -0.675 5.373 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -1.266 -3.198 4.438 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -3.013 -3.106 4.546 1.00 0.00 H new ATOM 2457 N SER B 64 -1.005 -1.705 2.428 1.00 0.00 N ATOM 2458 CA SER B 64 -0.912 -1.029 1.140 1.00 0.00 C ATOM 2459 C SER B 64 -1.358 -1.931 -0.006 1.00 0.00 C ATOM 2460 O SER B 64 -1.197 -3.151 0.044 1.00 0.00 O ATOM 2461 CB SER B 64 0.520 -0.552 0.895 1.00 0.00 C ATOM 2462 OG SER B 64 1.456 -1.566 1.212 1.00 0.00 O ATOM 0 H SER B 64 -0.123 -2.090 2.767 1.00 0.00 H new ATOM 0 HA SER B 64 -1.582 -0.170 1.172 1.00 0.00 H new ATOM 0 HB2 SER B 64 0.636 -0.259 -0.149 1.00 0.00 H new ATOM 0 HB3 SER B 64 0.720 0.333 1.498 1.00 0.00 H new ATOM 0 HG SER B 64 2.121 -1.213 1.839 1.00 0.00 H new ATOM 2468 N TYR B 65 -1.911 -1.311 -1.042 1.00 0.00 N ATOM 2469 CA TYR B 65 -2.378 -2.032 -2.218 1.00 0.00 C ATOM 2470 C TYR B 65 -2.312 -1.132 -3.446 1.00 0.00 C ATOM 2471 O TYR B 65 -3.341 -0.720 -3.985 1.00 0.00 O ATOM 2472 CB TYR B 65 -3.809 -2.530 -2.010 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.182 -3.683 -2.915 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.711 -4.964 -2.664 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -5.006 -3.488 -4.017 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -4.046 -6.021 -3.487 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -5.348 -4.542 -4.844 1.00 0.00 C ATOM 2478 CZ TYR B 65 -4.865 -5.805 -4.575 1.00 0.00 C ATOM 2479 OH TYR B 65 -5.203 -6.856 -5.397 1.00 0.00 O ATOM 0 H TYR B 65 -2.047 -0.301 -1.090 1.00 0.00 H new ATOM 0 HA TYR B 65 -1.730 -2.894 -2.374 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -3.931 -2.839 -0.972 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.501 -1.705 -2.181 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -3.072 -5.137 -1.811 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -5.385 -2.499 -4.230 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -3.669 -7.011 -3.280 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -5.990 -4.377 -5.696 1.00 0.00 H new ATOM 0 HH TYR B 65 -5.787 -6.535 -6.116 1.00 0.00 H new ATOM 2489 N VAL B 66 -1.093 -0.820 -3.873 1.00 0.00 N ATOM 2490 CA VAL B 66 -0.884 0.043 -5.027 1.00 0.00 C ATOM 2491 C VAL B 66 -0.224 -0.715 -6.174 1.00 0.00 C ATOM 2492 O VAL B 66 0.537 -1.658 -5.954 1.00 0.00 O ATOM 2493 CB VAL B 66 -0.008 1.254 -4.658 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -0.562 1.958 -3.429 1.00 0.00 C ATOM 2495 CG2 VAL B 66 1.432 0.818 -4.429 1.00 0.00 C ATOM 0 H VAL B 66 -0.234 -1.153 -3.435 1.00 0.00 H new ATOM 0 HA VAL B 66 -1.866 0.390 -5.348 1.00 0.00 H new ATOM 0 HB VAL B 66 -0.023 1.959 -5.489 1.00 0.00 H new ATOM 0 HG11 VAL B 66 0.070 2.811 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -1.575 2.304 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -0.578 1.264 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL B 66 2.038 1.686 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL B 66 1.468 0.094 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL B 66 1.823 0.362 -5.338 1.00 0.00 H new ATOM 2505 N THR B 67 -0.520 -0.295 -7.399 1.00 0.00 N ATOM 2506 CA THR B 67 0.043 -0.930 -8.585 1.00 0.00 C ATOM 2507 C THR B 67 1.488 -0.493 -8.808 1.00 0.00 C ATOM 2508 O THR B 67 1.765 0.692 -8.995 1.00 0.00 O ATOM 2509 CB THR B 67 -0.795 -0.592 -9.815 1.00 0.00 C ATOM 2510 OG1 THR B 67 -0.209 -1.133 -10.986 1.00 0.00 O ATOM 2511 CG2 THR B 67 -0.957 0.895 -10.026 1.00 0.00 C ATOM 0 H THR B 67 -1.148 0.484 -7.597 1.00 0.00 H new ATOM 0 HA THR B 67 0.030 -2.008 -8.426 1.00 0.00 H new ATOM 0 HB THR B 67 -1.776 -1.029 -9.631 1.00 0.00 H new ATOM 0 HG1 THR B 67 -0.886 -1.194 -11.692 1.00 0.00 H new ATOM 0 HG21 THR B 67 -1.562 1.073 -10.915 1.00 0.00 H new ATOM 0 HG22 THR B 67 -1.450 1.334 -9.158 1.00 0.00 H new ATOM 0 HG23 THR B 67 0.023 1.353 -10.157 1.00 0.00 H new ATOM 2519 N HIS B 68 2.403 -1.456 -8.791 1.00 0.00 N ATOM 2520 CA HIS B 68 3.819 -1.167 -8.996 1.00 0.00 C ATOM 2521 C HIS B 68 4.144 -1.090 -10.485 1.00 0.00 C ATOM 2522 O HIS B 68 3.530 -1.778 -11.299 1.00 0.00 O ATOM 2523 CB HIS B 68 4.688 -2.236 -8.327 1.00 0.00 C ATOM 2524 CG HIS B 68 3.935 -3.473 -7.944 1.00 0.00 C ATOM 2525 ND1 HIS B 68 2.946 -4.026 -8.730 1.00 0.00 N ATOM 2526 CD2 HIS B 68 4.028 -4.265 -6.849 1.00 0.00 C ATOM 2527 CE1 HIS B 68 2.465 -5.104 -8.136 1.00 0.00 C ATOM 2528 NE2 HIS B 68 3.105 -5.270 -6.995 1.00 0.00 N ATOM 0 H HIS B 68 2.191 -2.442 -8.638 1.00 0.00 H new ATOM 0 HA HIS B 68 4.036 -0.201 -8.541 1.00 0.00 H new ATOM 0 HB2 HIS B 68 5.497 -2.509 -9.004 1.00 0.00 H new ATOM 0 HB3 HIS B 68 5.148 -1.811 -7.435 1.00 0.00 H new ATOM 0 HD2 HIS B 68 4.703 -4.131 -6.016 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.681 -5.741 -8.520 1.00 0.00 H new ATOM 0 HE2 HIS B 68 2.940 -6.024 -6.328 1.00 0.00 H new ATOM 2537 N GLU B 69 5.111 -0.248 -10.835 1.00 0.00 N ATOM 2538 CA GLU B 69 5.511 -0.084 -12.228 1.00 0.00 C ATOM 2539 C GLU B 69 7.026 -0.180 -12.381 1.00 0.00 C ATOM 2540 O GLU B 69 7.598 -1.266 -12.312 1.00 0.00 O ATOM 2541 CB GLU B 69 5.015 1.258 -12.771 1.00 0.00 C ATOM 2542 CG GLU B 69 3.812 1.809 -12.025 1.00 0.00 C ATOM 2543 CD GLU B 69 2.644 2.109 -12.944 1.00 0.00 C ATOM 2544 OE1 GLU B 69 2.844 2.116 -14.177 1.00 0.00 O ATOM 2545 OE2 GLU B 69 1.528 2.337 -12.430 1.00 0.00 O ATOM 0 H GLU B 69 5.631 0.330 -10.175 1.00 0.00 H new ATOM 0 HA GLU B 69 5.057 -0.891 -12.803 1.00 0.00 H new ATOM 0 HB2 GLU B 69 5.827 1.983 -12.720 1.00 0.00 H new ATOM 0 HB3 GLU B 69 4.757 1.142 -13.824 1.00 0.00 H new ATOM 0 HG2 GLU B 69 3.498 1.091 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU B 69 4.100 2.720 -11.500 1.00 0.00 H new ATOM 2552 N THR B 70 7.667 0.967 -12.594 1.00 0.00 N ATOM 2553 CA THR B 70 9.116 1.025 -12.765 1.00 0.00 C ATOM 2554 C THR B 70 9.827 0.035 -11.847 1.00 0.00 C ATOM 2555 O THR B 70 9.884 -1.162 -12.129 1.00 0.00 O ATOM 2556 CB THR B 70 9.621 2.441 -12.484 1.00 0.00 C ATOM 2557 OG1 THR B 70 11.013 2.434 -12.226 1.00 0.00 O ATOM 2558 CG2 THR B 70 8.937 3.096 -11.303 1.00 0.00 C ATOM 0 H THR B 70 7.202 1.873 -12.652 1.00 0.00 H new ATOM 0 HA THR B 70 9.340 0.754 -13.797 1.00 0.00 H new ATOM 0 HB THR B 70 9.389 3.015 -13.381 1.00 0.00 H new ATOM 0 HG1 THR B 70 11.393 3.307 -12.457 1.00 0.00 H new ATOM 0 HG21 THR B 70 9.341 4.098 -11.158 1.00 0.00 H new ATOM 0 HG22 THR B 70 7.866 3.161 -11.493 1.00 0.00 H new ATOM 0 HG23 THR B 70 9.111 2.501 -10.406 1.00 0.00 H new ATOM 2566 N LYS B 71 10.376 0.545 -10.751 1.00 0.00 N ATOM 2567 CA LYS B 71 11.089 -0.290 -9.792 1.00 0.00 C ATOM 2568 C LYS B 71 10.112 -1.001 -8.862 1.00 0.00 C ATOM 2569 O LYS B 71 10.199 -0.877 -7.641 1.00 0.00 O ATOM 2570 CB LYS B 71 12.067 0.558 -8.977 1.00 0.00 C ATOM 2571 CG LYS B 71 12.908 1.498 -9.826 1.00 0.00 C ATOM 2572 CD LYS B 71 13.752 0.734 -10.834 1.00 0.00 C ATOM 2573 CE LYS B 71 15.116 1.379 -11.021 1.00 0.00 C ATOM 2574 NZ LYS B 71 16.214 0.519 -10.499 1.00 0.00 N ATOM 0 H LYS B 71 10.341 1.534 -10.504 1.00 0.00 H new ATOM 0 HA LYS B 71 11.649 -1.044 -10.345 1.00 0.00 H new ATOM 0 HB2 LYS B 71 11.507 1.143 -8.247 1.00 0.00 H new ATOM 0 HB3 LYS B 71 12.729 -0.103 -8.416 1.00 0.00 H new ATOM 0 HG2 LYS B 71 12.257 2.197 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS B 71 13.557 2.090 -9.181 1.00 0.00 H new ATOM 0 HD2 LYS B 71 13.878 -0.295 -10.499 1.00 0.00 H new ATOM 0 HD3 LYS B 71 13.232 0.696 -11.791 1.00 0.00 H new ATOM 0 HE2 LYS B 71 15.282 1.576 -12.080 1.00 0.00 H new ATOM 0 HE3 LYS B 71 15.135 2.342 -10.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 17.116 0.807 -10.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 16.275 0.623 -9.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 16.019 -0.475 -10.736 1.00 0.00 H new ATOM 2588 N HIS B 72 9.180 -1.743 -9.452 1.00 0.00 N ATOM 2589 CA HIS B 72 8.182 -2.473 -8.682 1.00 0.00 C ATOM 2590 C HIS B 72 7.853 -1.741 -7.386 1.00 0.00 C ATOM 2591 O HIS B 72 6.944 -0.913 -7.341 1.00 0.00 O ATOM 2592 CB HIS B 72 8.678 -3.887 -8.368 1.00 0.00 C ATOM 2593 CG HIS B 72 8.340 -4.893 -9.425 1.00 0.00 C ATOM 2594 ND1 HIS B 72 9.272 -5.405 -10.301 1.00 0.00 N ATOM 2595 CD2 HIS B 72 7.163 -5.486 -9.740 1.00 0.00 C ATOM 2596 CE1 HIS B 72 8.685 -6.270 -11.110 1.00 0.00 C ATOM 2597 NE2 HIS B 72 7.406 -6.338 -10.789 1.00 0.00 N ATOM 0 H HIS B 72 9.096 -1.854 -10.462 1.00 0.00 H new ATOM 0 HA HIS B 72 7.276 -2.539 -9.284 1.00 0.00 H new ATOM 0 HB2 HIS B 72 9.760 -3.862 -8.236 1.00 0.00 H new ATOM 0 HB3 HIS B 72 8.248 -4.211 -7.420 1.00 0.00 H new ATOM 0 HD2 HIS B 72 6.212 -5.320 -9.256 1.00 0.00 H new ATOM 0 HE1 HIS B 72 9.169 -6.826 -11.899 1.00 0.00 H new ATOM 0 HE2 HIS B 72 6.711 -6.928 -11.246 1.00 0.00 H new ATOM 2606 N PHE B 73 8.603 -2.052 -6.333 1.00 0.00 N ATOM 2607 CA PHE B 73 8.397 -1.425 -5.035 1.00 0.00 C ATOM 2608 C PHE B 73 9.121 -2.205 -3.944 1.00 0.00 C ATOM 2609 O PHE B 73 9.765 -3.217 -4.215 1.00 0.00 O ATOM 2610 CB PHE B 73 6.899 -1.336 -4.718 1.00 0.00 C ATOM 2611 CG PHE B 73 6.336 -2.581 -4.090 1.00 0.00 C ATOM 2612 CD1 PHE B 73 6.613 -3.829 -4.625 1.00 0.00 C ATOM 2613 CD2 PHE B 73 5.534 -2.503 -2.963 1.00 0.00 C ATOM 2614 CE1 PHE B 73 6.099 -4.976 -4.048 1.00 0.00 C ATOM 2615 CE2 PHE B 73 5.017 -3.645 -2.382 1.00 0.00 C ATOM 2616 CZ PHE B 73 5.301 -4.883 -2.924 1.00 0.00 C ATOM 0 H PHE B 73 9.360 -2.736 -6.355 1.00 0.00 H new ATOM 0 HA PHE B 73 8.808 -0.416 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE B 73 6.728 -0.493 -4.048 1.00 0.00 H new ATOM 0 HB3 PHE B 73 6.354 -1.126 -5.639 1.00 0.00 H new ATOM 0 HD1 PHE B 73 7.237 -3.907 -5.503 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.310 -1.538 -2.533 1.00 0.00 H new ATOM 0 HE1 PHE B 73 6.321 -5.943 -4.475 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.391 -3.570 -1.505 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.900 -5.777 -2.470 1.00 0.00 H new ATOM 2626 N ILE B 74 9.002 -1.733 -2.710 1.00 0.00 N ATOM 2627 CA ILE B 74 9.639 -2.394 -1.579 1.00 0.00 C ATOM 2628 C ILE B 74 8.860 -2.145 -0.294 1.00 0.00 C ATOM 2629 O ILE B 74 8.757 -1.011 0.175 1.00 0.00 O ATOM 2630 CB ILE B 74 11.095 -1.926 -1.386 1.00 0.00 C ATOM 2631 CG1 ILE B 74 11.833 -2.905 -0.455 1.00 0.00 C ATOM 2632 CG2 ILE B 74 11.119 -0.499 -0.847 1.00 0.00 C ATOM 2633 CD1 ILE B 74 13.059 -2.335 0.234 1.00 0.00 C ATOM 0 H ILE B 74 8.471 -0.896 -2.467 1.00 0.00 H new ATOM 0 HA ILE B 74 9.644 -3.461 -1.802 1.00 0.00 H new ATOM 0 HB ILE B 74 11.613 -1.921 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE B 74 11.136 -3.253 0.307 1.00 0.00 H new ATOM 0 HG13 ILE B 74 12.134 -3.778 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE B 74 12.152 -0.178 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE B 74 10.620 0.165 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE B 74 10.602 -0.463 0.112 1.00 0.00 H new ATOM 0 HD11 ILE B 74 13.509 -3.100 0.867 1.00 0.00 H new ATOM 0 HD12 ILE B 74 13.782 -2.014 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE B 74 12.768 -1.482 0.847 1.00 0.00 H new ATOM 2645 N TYR B 75 8.309 -3.211 0.270 1.00 0.00 N ATOM 2646 CA TYR B 75 7.539 -3.110 1.501 1.00 0.00 C ATOM 2647 C TYR B 75 8.272 -3.781 2.654 1.00 0.00 C ATOM 2648 O TYR B 75 8.137 -4.983 2.871 1.00 0.00 O ATOM 2649 CB TYR B 75 6.162 -3.744 1.319 1.00 0.00 C ATOM 2650 CG TYR B 75 5.186 -3.373 2.407 1.00 0.00 C ATOM 2651 CD1 TYR B 75 5.509 -3.555 3.745 1.00 0.00 C ATOM 2652 CD2 TYR B 75 3.943 -2.840 2.098 1.00 0.00 C ATOM 2653 CE1 TYR B 75 4.619 -3.216 4.745 1.00 0.00 C ATOM 2654 CE2 TYR B 75 3.048 -2.496 3.092 1.00 0.00 C ATOM 2655 CZ TYR B 75 3.390 -2.688 4.414 1.00 0.00 C ATOM 2656 OH TYR B 75 2.500 -2.348 5.408 1.00 0.00 O ATOM 0 H TYR B 75 8.381 -4.156 -0.106 1.00 0.00 H new ATOM 0 HA TYR B 75 7.415 -2.053 1.738 1.00 0.00 H new ATOM 0 HB2 TYR B 75 5.754 -3.439 0.355 1.00 0.00 H new ATOM 0 HB3 TYR B 75 6.270 -4.828 1.291 1.00 0.00 H new ATOM 0 HD1 TYR B 75 6.472 -3.968 4.008 1.00 0.00 H new ATOM 0 HD2 TYR B 75 3.671 -2.692 1.063 1.00 0.00 H new ATOM 0 HE1 TYR B 75 4.885 -3.364 5.781 1.00 0.00 H new ATOM 0 HE2 TYR B 75 2.085 -2.079 2.835 1.00 0.00 H new ATOM 0 HH TYR B 75 2.181 -1.433 5.262 1.00 0.00 H new ATOM 2666 N PHE B 76 9.053 -2.997 3.388 1.00 0.00 N ATOM 2667 CA PHE B 76 9.812 -3.525 4.517 1.00 0.00 C ATOM 2668 C PHE B 76 9.272 -3.002 5.841 1.00 0.00 C ATOM 2669 O PHE B 76 8.456 -2.081 5.872 1.00 0.00 O ATOM 2670 CB PHE B 76 11.289 -3.155 4.379 1.00 0.00 C ATOM 2671 CG PHE B 76 11.516 -1.740 3.929 1.00 0.00 C ATOM 2672 CD1 PHE B 76 11.196 -1.349 2.639 1.00 0.00 C ATOM 2673 CD2 PHE B 76 12.052 -0.801 4.796 1.00 0.00 C ATOM 2674 CE1 PHE B 76 11.406 -0.048 2.222 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.264 0.500 4.386 1.00 0.00 C ATOM 2676 CZ PHE B 76 11.941 0.877 3.096 1.00 0.00 C ATOM 0 H PHE B 76 9.178 -1.998 3.223 1.00 0.00 H new ATOM 0 HA PHE B 76 9.707 -4.610 4.511 1.00 0.00 H new ATOM 0 HB2 PHE B 76 11.784 -3.306 5.338 1.00 0.00 H new ATOM 0 HB3 PHE B 76 11.760 -3.833 3.668 1.00 0.00 H new ATOM 0 HD1 PHE B 76 10.778 -2.069 1.951 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.307 -1.091 5.805 1.00 0.00 H new ATOM 0 HE1 PHE B 76 11.152 0.244 1.214 1.00 0.00 H new ATOM 0 HE2 PHE B 76 12.682 1.222 5.072 1.00 0.00 H new ATOM 0 HZ PHE B 76 12.107 1.894 2.772 1.00 0.00 H new ATOM 2686 N TYR B 77 9.737 -3.593 6.934 1.00 0.00 N ATOM 2687 CA TYR B 77 9.307 -3.187 8.266 1.00 0.00 C ATOM 2688 C TYR B 77 10.511 -2.967 9.175 1.00 0.00 C ATOM 2689 O TYR B 77 11.228 -3.910 9.513 1.00 0.00 O ATOM 2690 CB TYR B 77 8.373 -4.237 8.871 1.00 0.00 C ATOM 2691 CG TYR B 77 8.055 -3.996 10.328 1.00 0.00 C ATOM 2692 CD1 TYR B 77 6.967 -3.218 10.703 1.00 0.00 C ATOM 2693 CD2 TYR B 77 8.843 -4.546 11.332 1.00 0.00 C ATOM 2694 CE1 TYR B 77 6.675 -2.993 12.035 1.00 0.00 C ATOM 2695 CE2 TYR B 77 8.557 -4.327 12.665 1.00 0.00 C ATOM 2696 CZ TYR B 77 7.472 -3.551 13.012 1.00 0.00 C ATOM 2697 OH TYR B 77 7.184 -3.330 14.340 1.00 0.00 O ATOM 0 H TYR B 77 10.413 -4.357 6.924 1.00 0.00 H new ATOM 0 HA TYR B 77 8.763 -2.246 8.177 1.00 0.00 H new ATOM 0 HB2 TYR B 77 7.443 -4.254 8.303 1.00 0.00 H new ATOM 0 HB3 TYR B 77 8.829 -5.221 8.765 1.00 0.00 H new ATOM 0 HD1 TYR B 77 6.339 -2.782 9.941 1.00 0.00 H new ATOM 0 HD2 TYR B 77 9.694 -5.155 11.065 1.00 0.00 H new ATOM 0 HE1 TYR B 77 5.827 -2.383 12.309 1.00 0.00 H new ATOM 0 HE2 TYR B 77 9.181 -4.762 13.432 1.00 0.00 H new ATOM 0 HH TYR B 77 7.783 -3.869 14.899 1.00 0.00 H new ATOM 2707 N LEU B 78 10.728 -1.716 9.566 1.00 0.00 N ATOM 2708 CA LEU B 78 11.846 -1.365 10.433 1.00 0.00 C ATOM 2709 C LEU B 78 11.641 -1.921 11.838 1.00 0.00 C ATOM 2710 O LEU B 78 10.563 -2.418 12.166 1.00 0.00 O ATOM 2711 CB LEU B 78 12.003 0.159 10.498 1.00 0.00 C ATOM 2712 CG LEU B 78 12.645 0.827 9.272 1.00 0.00 C ATOM 2713 CD1 LEU B 78 14.159 0.832 9.399 1.00 0.00 C ATOM 2714 CD2 LEU B 78 12.219 0.142 7.977 1.00 0.00 C ATOM 0 H LEU B 78 10.142 -0.926 9.295 1.00 0.00 H new ATOM 0 HA LEU B 78 12.751 -1.805 10.015 1.00 0.00 H new ATOM 0 HB2 LEU B 78 11.018 0.599 10.651 1.00 0.00 H new ATOM 0 HB3 LEU B 78 12.602 0.405 11.375 1.00 0.00 H new ATOM 0 HG LEU B 78 12.294 1.858 9.234 1.00 0.00 H new ATOM 0 HD11 LEU B 78 14.596 1.309 8.522 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.447 1.384 10.294 1.00 0.00 H new ATOM 0 HD13 LEU B 78 14.521 -0.193 9.473 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.691 0.640 7.130 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.526 -0.904 8.001 1.00 0.00 H new ATOM 0 HD23 LEU B 78 11.135 0.200 7.874 1.00 0.00 H new ATOM 2726 N GLY B 79 12.684 -1.835 12.659 1.00 0.00 N ATOM 2727 CA GLY B 79 12.609 -2.332 14.021 1.00 0.00 C ATOM 2728 C GLY B 79 11.197 -2.321 14.573 1.00 0.00 C ATOM 2729 O GLY B 79 10.733 -3.318 15.127 1.00 0.00 O ATOM 0 H GLY B 79 13.584 -1.428 12.403 1.00 0.00 H new ATOM 0 HA2 GLY B 79 12.999 -3.349 14.054 1.00 0.00 H new ATOM 0 HA3 GLY B 79 13.249 -1.724 14.661 1.00 0.00 H new ATOM 2733 N GLN B 80 10.509 -1.193 14.420 1.00 0.00 N ATOM 2734 CA GLN B 80 9.140 -1.061 14.905 1.00 0.00 C ATOM 2735 C GLN B 80 8.318 -0.164 13.984 1.00 0.00 C ATOM 2736 O GLN B 80 7.481 0.613 14.442 1.00 0.00 O ATOM 2737 CB GLN B 80 9.129 -0.501 16.330 1.00 0.00 C ATOM 2738 CG GLN B 80 10.272 0.458 16.620 1.00 0.00 C ATOM 2739 CD GLN B 80 10.336 0.863 18.080 1.00 0.00 C ATOM 2740 OE1 GLN B 80 9.615 0.137 18.928 1.00 0.00 O flip ATOM 2741 NE2 GLN B 80 11.025 1.817 18.442 1.00 0.00 N flip ATOM 0 H GLN B 80 10.877 -0.358 13.964 1.00 0.00 H new ATOM 0 HA GLN B 80 8.688 -2.053 14.911 1.00 0.00 H new ATOM 0 HB2 GLN B 80 8.183 0.013 16.501 1.00 0.00 H new ATOM 0 HB3 GLN B 80 9.174 -1.330 17.037 1.00 0.00 H new ATOM 0 HG2 GLN B 80 11.215 -0.009 16.334 1.00 0.00 H new ATOM 0 HG3 GLN B 80 10.159 1.350 16.004 1.00 0.00 H new ATOM 0 HE21 GLN B 80 11.563 2.347 17.756 1.00 0.00 H new ATOM 0 HE22 GLN B 80 11.058 2.077 19.428 1.00 0.00 H new ATOM 2750 N VAL B 81 8.562 -0.278 12.682 1.00 0.00 N ATOM 2751 CA VAL B 81 7.845 0.522 11.696 1.00 0.00 C ATOM 2752 C VAL B 81 7.818 -0.177 10.339 1.00 0.00 C ATOM 2753 O VAL B 81 8.519 -1.164 10.128 1.00 0.00 O ATOM 2754 CB VAL B 81 8.486 1.914 11.536 1.00 0.00 C ATOM 2755 CG1 VAL B 81 7.834 2.683 10.398 1.00 0.00 C ATOM 2756 CG2 VAL B 81 8.393 2.695 12.839 1.00 0.00 C ATOM 0 H VAL B 81 9.251 -0.917 12.286 1.00 0.00 H new ATOM 0 HA VAL B 81 6.824 0.640 12.059 1.00 0.00 H new ATOM 0 HB VAL B 81 9.539 1.780 11.290 1.00 0.00 H new ATOM 0 HG11 VAL B 81 8.303 3.662 10.305 1.00 0.00 H new ATOM 0 HG12 VAL B 81 7.959 2.130 9.467 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.771 2.808 10.605 1.00 0.00 H new ATOM 0 HG21 VAL B 81 8.850 3.676 12.709 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.346 2.817 13.116 1.00 0.00 H new ATOM 0 HG23 VAL B 81 8.916 2.152 13.627 1.00 0.00 H new ATOM 2766 N ALA B 82 7.007 0.343 9.424 1.00 0.00 N ATOM 2767 CA ALA B 82 6.893 -0.231 8.089 1.00 0.00 C ATOM 2768 C ALA B 82 7.080 0.842 7.025 1.00 0.00 C ATOM 2769 O ALA B 82 6.894 2.029 7.294 1.00 0.00 O ATOM 2770 CB ALA B 82 5.547 -0.920 7.919 1.00 0.00 C ATOM 0 H ALA B 82 6.419 1.161 9.583 1.00 0.00 H new ATOM 0 HA ALA B 82 7.680 -0.975 7.968 1.00 0.00 H new ATOM 0 HB1 ALA B 82 5.479 -1.343 6.917 1.00 0.00 H new ATOM 0 HB2 ALA B 82 5.450 -1.717 8.656 1.00 0.00 H new ATOM 0 HB3 ALA B 82 4.746 -0.194 8.062 1.00 0.00 H new ATOM 2776 N ILE B 83 7.453 0.423 5.821 1.00 0.00 N ATOM 2777 CA ILE B 83 7.669 1.360 4.725 1.00 0.00 C ATOM 2778 C ILE B 83 7.250 0.762 3.386 1.00 0.00 C ATOM 2779 O ILE B 83 7.823 -0.228 2.926 1.00 0.00 O ATOM 2780 CB ILE B 83 9.145 1.799 4.632 1.00 0.00 C ATOM 2781 CG1 ILE B 83 9.905 1.437 5.914 1.00 0.00 C ATOM 2782 CG2 ILE B 83 9.231 3.294 4.360 1.00 0.00 C ATOM 2783 CD1 ILE B 83 9.549 2.304 7.103 1.00 0.00 C ATOM 0 H ILE B 83 7.612 -0.555 5.580 1.00 0.00 H new ATOM 0 HA ILE B 83 7.050 2.230 4.941 1.00 0.00 H new ATOM 0 HB ILE B 83 9.612 1.266 3.804 1.00 0.00 H new ATOM 0 HG12 ILE B 83 9.703 0.395 6.163 1.00 0.00 H new ATOM 0 HG13 ILE B 83 10.976 1.518 5.725 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.277 3.593 4.296 1.00 0.00 H new ATOM 0 HG22 ILE B 83 8.731 3.522 3.419 1.00 0.00 H new ATOM 0 HG23 ILE B 83 8.747 3.840 5.170 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.127 1.987 7.971 1.00 0.00 H new ATOM 0 HD12 ILE B 83 9.778 3.345 6.876 1.00 0.00 H new ATOM 0 HD13 ILE B 83 8.485 2.205 7.320 1.00 0.00 H new ATOM 2795 N LEU B 84 6.252 1.383 2.761 1.00 0.00 N ATOM 2796 CA LEU B 84 5.750 0.934 1.468 1.00 0.00 C ATOM 2797 C LEU B 84 6.197 1.894 0.367 1.00 0.00 C ATOM 2798 O LEU B 84 5.531 2.892 0.090 1.00 0.00 O ATOM 2799 CB LEU B 84 4.220 0.829 1.508 1.00 0.00 C ATOM 2800 CG LEU B 84 3.499 1.146 0.195 1.00 0.00 C ATOM 2801 CD1 LEU B 84 3.156 -0.134 -0.549 1.00 0.00 C ATOM 2802 CD2 LEU B 84 2.242 1.961 0.464 1.00 0.00 C ATOM 0 H LEU B 84 5.774 2.203 3.133 1.00 0.00 H new ATOM 0 HA LEU B 84 6.159 -0.052 1.250 1.00 0.00 H new ATOM 0 HB2 LEU B 84 3.951 -0.182 1.814 1.00 0.00 H new ATOM 0 HB3 LEU B 84 3.848 1.505 2.278 1.00 0.00 H new ATOM 0 HG LEU B 84 4.167 1.737 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU B 84 2.644 0.112 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU B 84 4.072 -0.682 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU B 84 2.506 -0.752 0.070 1.00 0.00 H new ATOM 0 HD21 LEU B 84 1.741 2.178 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU B 84 1.571 1.393 1.109 1.00 0.00 H new ATOM 0 HD23 LEU B 84 2.513 2.896 0.955 1.00 0.00 H new ATOM 2814 N LEU B 85 7.335 1.590 -0.247 1.00 0.00 N ATOM 2815 CA LEU B 85 7.884 2.430 -1.310 1.00 0.00 C ATOM 2816 C LEU B 85 7.499 1.910 -2.688 1.00 0.00 C ATOM 2817 O LEU B 85 7.438 0.701 -2.914 1.00 0.00 O ATOM 2818 CB LEU B 85 9.409 2.490 -1.197 1.00 0.00 C ATOM 2819 CG LEU B 85 9.988 3.884 -0.961 1.00 0.00 C ATOM 2820 CD1 LEU B 85 9.987 4.212 0.520 1.00 0.00 C ATOM 2821 CD2 LEU B 85 11.395 3.977 -1.529 1.00 0.00 C ATOM 0 H LEU B 85 7.897 0.768 -0.028 1.00 0.00 H new ATOM 0 HA LEU B 85 7.465 3.429 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU B 85 9.723 1.840 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU B 85 9.842 2.084 -2.111 1.00 0.00 H new ATOM 0 HG LEU B 85 9.362 4.613 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU B 85 10.402 5.208 0.672 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.965 4.183 0.898 1.00 0.00 H new ATOM 0 HD13 LEU B 85 10.593 3.481 1.055 1.00 0.00 H new ATOM 0 HD21 LEU B 85 11.793 4.976 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU B 85 12.034 3.241 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU B 85 11.368 3.781 -2.601 1.00 0.00 H new ATOM 2833 N PHE B 86 7.253 2.834 -3.611 1.00 0.00 N ATOM 2834 CA PHE B 86 6.886 2.465 -4.976 1.00 0.00 C ATOM 2835 C PHE B 86 6.633 3.698 -5.848 1.00 0.00 C ATOM 2836 O PHE B 86 5.982 4.651 -5.422 1.00 0.00 O ATOM 2837 CB PHE B 86 5.649 1.560 -4.962 1.00 0.00 C ATOM 2838 CG PHE B 86 4.345 2.306 -5.027 1.00 0.00 C ATOM 2839 CD1 PHE B 86 3.895 3.041 -3.943 1.00 0.00 C ATOM 2840 CD2 PHE B 86 3.575 2.274 -6.177 1.00 0.00 C ATOM 2841 CE1 PHE B 86 2.699 3.729 -4.005 1.00 0.00 C ATOM 2842 CE2 PHE B 86 2.379 2.959 -6.247 1.00 0.00 C ATOM 2843 CZ PHE B 86 1.939 3.688 -5.159 1.00 0.00 C ATOM 0 H PHE B 86 7.300 3.839 -3.442 1.00 0.00 H new ATOM 0 HA PHE B 86 7.725 1.921 -5.411 1.00 0.00 H new ATOM 0 HB2 PHE B 86 5.705 0.872 -5.806 1.00 0.00 H new ATOM 0 HB3 PHE B 86 5.665 0.954 -4.056 1.00 0.00 H new ATOM 0 HD1 PHE B 86 4.486 3.077 -3.039 1.00 0.00 H new ATOM 0 HD2 PHE B 86 3.915 1.706 -7.030 1.00 0.00 H new ATOM 0 HE1 PHE B 86 2.358 4.298 -3.153 1.00 0.00 H new ATOM 0 HE2 PHE B 86 1.788 2.925 -7.150 1.00 0.00 H new ATOM 0 HZ PHE B 86 1.003 4.225 -5.210 1.00 0.00 H new ATOM 2853 N LYS B 87 7.146 3.659 -7.077 1.00 0.00 N ATOM 2854 CA LYS B 87 6.976 4.759 -8.025 1.00 0.00 C ATOM 2855 C LYS B 87 5.926 4.408 -9.073 1.00 0.00 C ATOM 2856 O LYS B 87 5.580 3.240 -9.250 1.00 0.00 O ATOM 2857 CB LYS B 87 8.304 5.078 -8.713 1.00 0.00 C ATOM 2858 CG LYS B 87 9.481 5.154 -7.756 1.00 0.00 C ATOM 2859 CD LYS B 87 10.794 4.883 -8.470 1.00 0.00 C ATOM 2860 CE LYS B 87 11.160 6.017 -9.413 1.00 0.00 C ATOM 2861 NZ LYS B 87 11.146 5.582 -10.836 1.00 0.00 N ATOM 0 H LYS B 87 7.685 2.873 -7.441 1.00 0.00 H new ATOM 0 HA LYS B 87 6.641 5.636 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS B 87 8.506 4.315 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS B 87 8.212 6.028 -9.239 1.00 0.00 H new ATOM 0 HG2 LYS B 87 9.513 6.141 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS B 87 9.346 4.430 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS B 87 11.588 4.749 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS B 87 10.719 3.952 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS B 87 10.460 6.841 -9.279 1.00 0.00 H new ATOM 0 HE3 LYS B 87 12.150 6.395 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 11.928 6.039 -11.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 11.257 4.549 -10.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 10.242 5.854 -11.273 1.00 0.00 H new ATOM 2875 N SER B 88 5.424 5.423 -9.768 1.00 0.00 N ATOM 2876 CA SER B 88 4.413 5.216 -10.800 1.00 0.00 C ATOM 2877 C SER B 88 4.918 5.690 -12.153 1.00 0.00 C ATOM 2878 O SER B 88 4.137 5.967 -13.064 1.00 0.00 O ATOM 2879 CB SER B 88 3.130 5.955 -10.441 1.00 0.00 C ATOM 2880 OG SER B 88 2.165 5.073 -9.900 1.00 0.00 O ATOM 0 H SER B 88 5.700 6.396 -9.636 1.00 0.00 H new ATOM 0 HA SER B 88 4.205 4.148 -10.860 1.00 0.00 H new ATOM 0 HB2 SER B 88 3.351 6.743 -9.721 1.00 0.00 H new ATOM 0 HB3 SER B 88 2.726 6.440 -11.330 1.00 0.00 H new ATOM 0 HG SER B 88 1.689 5.518 -9.168 1.00 0.00 H new ATOM 2886 N GLY B 89 6.229 5.778 -12.270 1.00 0.00 N ATOM 2887 CA GLY B 89 6.841 6.219 -13.510 1.00 0.00 C ATOM 2888 C GLY B 89 7.161 7.701 -13.504 1.00 0.00 C ATOM 2889 O GLY B 89 7.884 8.156 -14.414 1.00 0.00 O ATOM 2890 OXT GLY B 89 6.688 8.406 -12.588 1.00 0.00 O ATOM 0 H GLY B 89 6.889 5.551 -11.526 1.00 0.00 H new ATOM 0 HA2 GLY B 89 7.757 5.653 -13.681 1.00 0.00 H new ATOM 0 HA3 GLY B 89 6.171 5.999 -14.341 1.00 0.00 H new TER 2894 GLY B 89