USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=68 USER MOD reduce.3.24.130724 removed 1727 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 16 HIS : no HE2:sc= -2.27! C(o=-0.49!,f=-4.5!) USER MOD Set 1.2: B 90 THR OG1 : rot -170:sc= -0.128 USER MOD Set 1.3: B 108 CYS SG : rot 99:sc= 1.25 USER MOD Set 1.4: B 110 ASN : amide:sc= 0.662 X(o=-0.49,f=-0.027) USER MOD Set 2.1: B 73 SER OG : rot 180:sc= 1.06 USER MOD Set 2.2: B 91 SER OG : rot -73:sc= 1.12 USER MOD Set 3.1: B 35 TYR OH : rot -57:sc= 0.3 USER MOD Set 3.2: B 83 GLN : amide:sc= 0.868 K(o=1.2,f=-6!) USER MOD Set 4.1: A 99 GLN : amide:sc= -0.552! C(o=0.67!,f=-3.7!) USER MOD Set 4.2: A 100 CYS SG : rot 99:sc= 1.22 USER MOD Set 5.1: A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 88 THR OG1 : rot -150:sc= 0 USER MOD Set 6.1: A 56 SER OG : rot 79:sc= 1.18 USER MOD Set 6.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 42 TYR OH : rot -13:sc= 1.36 USER MOD Set 7.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 7.3: A 57 HIS : no HD1:sc= 0.659 K(o=2,f=-7.6!) USER MOD Set 8.1: A 10 SER OG : rot 113:sc= 1.2 USER MOD Set 8.2: A 12 HIS : no HE2:sc= 1.44 K(o=2,f=-7.2!) USER MOD Set 8.3: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 8.4: A 45 TYR OH : rot -148:sc= 1.11 USER MOD Set 8.5: A 53 MET CE :methyl -130:sc= -0.0127 (180deg=-0.0737) USER MOD Set 8.6: A 71 TYR OH : rot -121:sc= 1.29 USER MOD Set 8.7: A 85 THR OG1 : rot -31:sc= 1.94 USER MOD Set 8.8: A 103 CYS SG : rot 61:sc= -2.97! USER MOD Set 8.9: A 105 ASN : amide:sc= -2.02! C(o=2!,f=-3.5!) USER MOD Set 9.1: A 13 SER OG : rot 140:sc= 1.06 USER MOD Set 9.2: A 19 THR OG1 : rot -106:sc= 1.32 USER MOD Set10.1: A 7 THR OG1 : rot 108:sc= 1.15 USER MOD Set10.2: B 97 ASN : amide:sc= 2.69 K(o=3.8,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= 1.05 (180deg=-0.1!) USER MOD Single : A 14 MET CE :methyl -168:sc= -0.0739 (180deg=-0.363) USER MOD Single : A 17 LYS NZ :NH3+ -141:sc= 1.01 (180deg=-0.577!) USER MOD Single : A 20 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 CYS SG : rot -79:sc= -1.14 USER MOD Single : A 26 THR OG1 : rot 90:sc= 0.672 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-5.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : +bothHN:sc= -5.48! C(o=-5.5!,f=-8.5!) USER MOD Single : A 50 SER OG : rot -14:sc= 1.26 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.21) USER MOD Single : A 58 GLN : amide:sc= -0.756 X(o=-0.76,f=-0.37) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 61 CYS SG : rot 63:sc= 1.28 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-2.5!,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.987 K(o=0.99,f=0) USER MOD Single : A 73 MET CE :methyl -172:sc= 0 (180deg=-0.0153) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 1.04 (180deg=1.02) USER MOD Single : A 77 HIS :FLIP no HE2:sc= -0.911 F(o=-2.6!,f=-0.91) USER MOD Single : A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= -0.0268 USER MOD Single : A 92 ASN : amide:sc= 0.072! C(o=0.072!,f=-10!) USER MOD Single : A 95 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.5) USER MOD Single : A 97 GLN : amide:sc= 0.838 K(o=0.84,f=0) USER MOD Single : A 102 MET CE :methyl -178:sc= -1.76 (180deg=-1.78) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= -0.445 K(o=-0.44,f=-2.4!) USER MOD Single : B 10 THR OG1 : rot -150:sc= 0.0206 USER MOD Single : B 14 SER OG : rot -15:sc= -0.465 USER MOD Single : B 17 ASN : amide:sc= -0.531 K(o=-0.53,f=-9.7!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : B 27 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=-0.027) USER MOD Single : B 29 CYS SG : rot 91:sc= 0.913 USER MOD Single : B 32 THR OG1 : rot 89:sc= 1.06 USER MOD Single : B 36 GLN :FLIP amide:sc= -0.307 F(o=-3.1!,f=-0.31) USER MOD Single : B 38 GLN : amide:sc= -0.585 K(o=-0.59,f=-3.7!) USER MOD Single : B 43 LYS NZ :NH3+ 156:sc= 0.909 (180deg=0.308) USER MOD Single : B 44 ASN : amide:sc= 0.228 X(o=0.23,f=-0.048) USER MOD Single : B 49 CYS SG : rot 69:sc= -1! USER MOD Single : B 50 HIS : no HE2:sc= 0.191 K(o=0.19,f=-5.1!) USER MOD Single : B 54 GLN : amide:sc= 0.839 K(o=0.84,f=-0.72) USER MOD Single : B 55 GLN : amide:sc= 0.0607 K(o=0.061,f=-4!) USER MOD Single : B 60 SER OG : rot 76:sc= 1.21 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.189 F(o=-0.9,f=-0.19) USER MOD Single : B 63 GLN : amide:sc= 0.425 X(o=0.43,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 155:sc= 1.23 (180deg=1.14) USER MOD Single : B 70 GLN : amide:sc= -0.0282 K(o=-0.028,f=-3.7!) USER MOD Single : B 75 MET CE :methyl 147:sc= -2.37 (180deg=-4.72!) USER MOD Single : B 80 SER OG : rot 170:sc= -1.94! USER MOD Single : B 81 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.922) USER MOD Single : B 82 ASN : amide:sc= 1.2 K(o=1.2,f=-0.24) USER MOD Single : B 88 MET CE :methyl -114:sc= -0.0159 (180deg=-0.27) USER MOD Single : B 92 SER OG : rot 170:sc= 0 USER MOD Single : B 94 THR OG1 : rot -153:sc= 1.72 USER MOD Single : B 96 GLN : amide:sc= -6.81! C(o=-6.8!,f=-10!) USER MOD Single : B 99 TYR OH : rot -132:sc= 0.949 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot -103:sc= 1.2 USER MOD Single : B 109 THR OG1 : rot 110:sc= -1.49 USER MOD Single : B 111 THR OG1 : rot 120:sc= -1.4 USER MOD Single : B 112 ASN : amide:sc= 0.0609! C(o=0.061!,f=-4.8!) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -11.047 12.938 2.906 1.00 0.00 N ATOM 2 CA LYS A 6 -9.776 12.232 3.155 1.00 0.00 C ATOM 3 C LYS A 6 -9.762 10.896 2.427 1.00 0.00 C ATOM 4 O LYS A 6 -10.795 10.250 2.281 1.00 0.00 O ATOM 5 CB LYS A 6 -9.579 12.017 4.658 1.00 0.00 C ATOM 6 CG LYS A 6 -8.123 11.982 5.085 1.00 0.00 C ATOM 7 CD LYS A 6 -7.984 12.178 6.581 1.00 0.00 C ATOM 8 CE LYS A 6 -6.542 12.442 6.974 1.00 0.00 C ATOM 9 NZ LYS A 6 -6.421 12.774 8.415 1.00 0.00 N ATOM 0 HA LYS A 6 -8.957 12.843 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.088 12.814 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.056 11.080 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.680 11.028 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.569 12.761 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.608 13.013 6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.348 11.292 7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.937 11.564 6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.146 13.263 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.546 13.312 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.238 13.346 8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.395 11.896 8.972 1.00 0.00 H new ATOM 25 N THR A 7 -8.593 10.503 1.956 1.00 0.00 N ATOM 26 CA THR A 7 -8.433 9.246 1.244 1.00 0.00 C ATOM 27 C THR A 7 -7.634 8.260 2.090 1.00 0.00 C ATOM 28 O THR A 7 -6.990 8.662 3.061 1.00 0.00 O ATOM 29 CB THR A 7 -7.708 9.475 -0.093 1.00 0.00 C ATOM 30 OG1 THR A 7 -7.770 10.865 -0.445 1.00 0.00 O ATOM 31 CG2 THR A 7 -8.331 8.643 -1.201 1.00 0.00 C ATOM 0 H THR A 7 -7.732 11.041 2.054 1.00 0.00 H new ATOM 0 HA THR A 7 -9.423 8.835 1.048 1.00 0.00 H new ATOM 0 HB THR A 7 -6.668 9.169 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.886 11.271 -0.329 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.799 8.824 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.263 7.586 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.378 8.921 -1.320 1.00 0.00 H new ATOM 39 N PHE A 8 -7.684 6.976 1.734 1.00 0.00 N ATOM 40 CA PHE A 8 -6.948 5.956 2.470 1.00 0.00 C ATOM 41 C PHE A 8 -6.631 4.756 1.579 1.00 0.00 C ATOM 42 O PHE A 8 -7.321 4.497 0.588 1.00 0.00 O ATOM 43 CB PHE A 8 -7.727 5.512 3.719 1.00 0.00 C ATOM 44 CG PHE A 8 -8.810 4.498 3.459 1.00 0.00 C ATOM 45 CD1 PHE A 8 -10.030 4.883 2.930 1.00 0.00 C ATOM 46 CD2 PHE A 8 -8.606 3.158 3.752 1.00 0.00 C ATOM 47 CE1 PHE A 8 -11.025 3.955 2.696 1.00 0.00 C ATOM 48 CE2 PHE A 8 -9.598 2.224 3.520 1.00 0.00 C ATOM 49 CZ PHE A 8 -10.810 2.624 2.992 1.00 0.00 C ATOM 0 H PHE A 8 -8.224 6.622 0.944 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.004 6.395 2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.024 5.095 4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.175 6.391 4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.206 5.923 2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.661 2.840 4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.971 4.270 2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.426 1.183 3.751 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.588 1.897 2.811 1.00 0.00 H new ATOM 59 N LEU A 9 -5.583 4.032 1.941 1.00 0.00 N ATOM 60 CA LEU A 9 -5.153 2.858 1.199 1.00 0.00 C ATOM 61 C LEU A 9 -5.535 1.591 1.961 1.00 0.00 C ATOM 62 O LEU A 9 -5.469 1.555 3.189 1.00 0.00 O ATOM 63 CB LEU A 9 -3.632 2.921 0.986 1.00 0.00 C ATOM 64 CG LEU A 9 -3.067 2.051 -0.144 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.751 0.648 0.354 1.00 0.00 C ATOM 66 CD2 LEU A 9 -4.033 1.999 -1.316 1.00 0.00 C ATOM 0 H LEU A 9 -5.008 4.242 2.757 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.648 2.837 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.357 3.957 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.144 2.632 1.917 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.137 2.505 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.352 0.052 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.013 0.704 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.661 0.182 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.613 1.377 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.982 1.576 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.198 3.007 -1.697 1.00 0.00 H new ATOM 78 N SER A 10 -5.946 0.557 1.240 1.00 0.00 N ATOM 79 CA SER A 10 -6.323 -0.693 1.876 1.00 0.00 C ATOM 80 C SER A 10 -5.715 -1.883 1.140 1.00 0.00 C ATOM 81 O SER A 10 -5.838 -2.005 -0.080 1.00 0.00 O ATOM 82 CB SER A 10 -7.851 -0.825 1.941 1.00 0.00 C ATOM 83 OG SER A 10 -8.444 -0.764 0.649 1.00 0.00 O ATOM 0 H SER A 10 -6.026 0.560 0.223 1.00 0.00 H new ATOM 0 HA SER A 10 -5.932 -0.687 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.114 -1.770 2.417 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.258 -0.029 2.565 1.00 0.00 H new ATOM 0 HG SER A 10 -8.835 -1.635 0.427 1.00 0.00 H new ATOM 89 N ARG A 11 -5.037 -2.745 1.882 1.00 0.00 N ATOM 90 CA ARG A 11 -4.429 -3.933 1.305 1.00 0.00 C ATOM 91 C ARG A 11 -5.380 -5.107 1.444 1.00 0.00 C ATOM 92 O ARG A 11 -5.861 -5.393 2.539 1.00 0.00 O ATOM 93 CB ARG A 11 -3.105 -4.271 1.994 1.00 0.00 C ATOM 94 CG ARG A 11 -2.003 -3.255 1.752 1.00 0.00 C ATOM 95 CD ARG A 11 -0.648 -3.929 1.580 1.00 0.00 C ATOM 96 NE ARG A 11 -0.401 -4.969 2.586 1.00 0.00 N ATOM 97 CZ ARG A 11 0.433 -4.825 3.622 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.056 -3.672 3.824 1.00 0.00 N ATOM 99 NH2 ARG A 11 0.638 -5.827 4.470 1.00 0.00 N ATOM 0 H ARG A 11 -4.894 -2.643 2.887 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.227 -3.734 0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.277 -4.355 3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.767 -5.248 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.235 -2.671 0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.960 -2.558 2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.590 -4.371 0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.138 -3.176 1.641 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.896 -5.856 2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.900 -2.890 3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.691 -3.567 4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.157 -6.716 4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.276 -5.707 5.257 1.00 0.00 H new ATOM 113 N HIS A 12 -5.668 -5.766 0.338 1.00 0.00 N ATOM 114 CA HIS A 12 -6.562 -6.912 0.347 1.00 0.00 C ATOM 115 C HIS A 12 -5.808 -8.145 -0.122 1.00 0.00 C ATOM 116 O HIS A 12 -4.820 -8.031 -0.848 1.00 0.00 O ATOM 117 CB HIS A 12 -7.783 -6.659 -0.546 1.00 0.00 C ATOM 118 CG HIS A 12 -8.611 -5.478 -0.125 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.857 -5.592 0.455 1.00 0.00 N ATOM 120 CD2 HIS A 12 -8.362 -4.151 -0.212 1.00 0.00 C ATOM 121 CE1 HIS A 12 -10.338 -4.387 0.700 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.450 -3.493 0.307 1.00 0.00 N ATOM 0 H HIS A 12 -5.296 -5.528 -0.581 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.919 -7.073 1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.446 -6.507 -1.571 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.412 -7.549 -0.546 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -10.333 -6.470 0.662 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.471 -3.693 -0.616 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.297 -4.169 1.147 1.00 0.00 H new ATOM 131 N SER A 13 -6.255 -9.317 0.299 1.00 0.00 N ATOM 132 CA SER A 13 -5.597 -10.553 -0.091 1.00 0.00 C ATOM 133 C SER A 13 -6.558 -11.732 -0.036 1.00 0.00 C ATOM 134 O SER A 13 -7.492 -11.740 0.769 1.00 0.00 O ATOM 135 CB SER A 13 -4.401 -10.810 0.826 1.00 0.00 C ATOM 136 OG SER A 13 -4.704 -10.442 2.162 1.00 0.00 O ATOM 0 H SER A 13 -7.065 -9.438 0.907 1.00 0.00 H new ATOM 0 HA SER A 13 -5.254 -10.448 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.127 -11.864 0.787 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.539 -10.244 0.474 1.00 0.00 H new ATOM 0 HG SER A 13 -4.325 -11.104 2.778 1.00 0.00 H new ATOM 142 N MET A 14 -6.320 -12.712 -0.906 1.00 0.00 N ATOM 143 CA MET A 14 -7.129 -13.928 -0.982 1.00 0.00 C ATOM 144 C MET A 14 -8.612 -13.607 -1.178 1.00 0.00 C ATOM 145 O MET A 14 -9.024 -13.197 -2.261 1.00 0.00 O ATOM 146 CB MET A 14 -6.923 -14.795 0.269 1.00 0.00 C ATOM 147 CG MET A 14 -5.475 -15.211 0.493 1.00 0.00 C ATOM 148 SD MET A 14 -5.283 -16.415 1.825 1.00 0.00 S ATOM 149 CE MET A 14 -5.987 -15.527 3.214 1.00 0.00 C ATOM 0 H MET A 14 -5.556 -12.685 -1.582 1.00 0.00 H new ATOM 0 HA MET A 14 -6.796 -14.491 -1.854 1.00 0.00 H new ATOM 0 HB2 MET A 14 -7.273 -14.246 1.143 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.540 -15.690 0.186 1.00 0.00 H new ATOM 0 HG2 MET A 14 -5.077 -15.633 -0.430 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.880 -14.327 0.722 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.748 -16.051 4.140 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.572 -14.520 3.250 1.00 0.00 H new ATOM 0 HE3 MET A 14 -7.069 -15.470 3.098 1.00 0.00 H new ATOM 159 N ASP A 15 -9.397 -13.753 -0.115 1.00 0.00 N ATOM 160 CA ASP A 15 -10.837 -13.499 -0.164 1.00 0.00 C ATOM 161 C ASP A 15 -11.149 -12.007 -0.083 1.00 0.00 C ATOM 162 O ASP A 15 -12.207 -11.611 0.402 1.00 0.00 O ATOM 163 CB ASP A 15 -11.547 -14.242 0.972 1.00 0.00 C ATOM 164 CG ASP A 15 -10.913 -13.992 2.328 1.00 0.00 C ATOM 165 OD1 ASP A 15 -9.751 -14.413 2.532 1.00 0.00 O ATOM 166 OD2 ASP A 15 -11.570 -13.388 3.198 1.00 0.00 O ATOM 0 H ASP A 15 -9.058 -14.049 0.800 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.203 -13.868 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.592 -13.934 1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.535 -15.312 0.763 1.00 0.00 H new ATOM 171 N MET A 16 -10.217 -11.193 -0.575 1.00 0.00 N ATOM 172 CA MET A 16 -10.356 -9.739 -0.594 1.00 0.00 C ATOM 173 C MET A 16 -10.411 -9.157 0.818 1.00 0.00 C ATOM 174 O MET A 16 -10.839 -8.016 1.009 1.00 0.00 O ATOM 175 CB MET A 16 -11.603 -9.327 -1.388 1.00 0.00 C ATOM 176 CG MET A 16 -11.477 -7.972 -2.068 1.00 0.00 C ATOM 177 SD MET A 16 -12.963 -7.509 -2.979 1.00 0.00 S ATOM 178 CE MET A 16 -12.415 -6.007 -3.790 1.00 0.00 C ATOM 0 H MET A 16 -9.339 -11.526 -0.974 1.00 0.00 H new ATOM 0 HA MET A 16 -9.472 -9.333 -1.086 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.808 -10.085 -2.144 1.00 0.00 H new ATOM 0 HB3 MET A 16 -12.461 -9.307 -0.716 1.00 0.00 H new ATOM 0 HG2 MET A 16 -11.265 -7.211 -1.317 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.628 -7.991 -2.751 1.00 0.00 H new ATOM 0 HE1 MET A 16 -13.228 -5.602 -4.393 1.00 0.00 H new ATOM 0 HE2 MET A 16 -12.120 -5.275 -3.039 1.00 0.00 H new ATOM 0 HE3 MET A 16 -11.563 -6.230 -4.433 1.00 0.00 H new ATOM 188 N LYS A 17 -9.959 -9.928 1.801 1.00 0.00 N ATOM 189 CA LYS A 17 -9.958 -9.464 3.182 1.00 0.00 C ATOM 190 C LYS A 17 -8.858 -8.428 3.391 1.00 0.00 C ATOM 191 O LYS A 17 -7.973 -8.279 2.548 1.00 0.00 O ATOM 192 CB LYS A 17 -9.793 -10.628 4.162 1.00 0.00 C ATOM 193 CG LYS A 17 -8.591 -11.517 3.888 1.00 0.00 C ATOM 194 CD LYS A 17 -8.148 -12.255 5.146 1.00 0.00 C ATOM 195 CE LYS A 17 -9.323 -12.891 5.877 1.00 0.00 C ATOM 196 NZ LYS A 17 -9.741 -14.181 5.265 1.00 0.00 N ATOM 0 H LYS A 17 -9.591 -10.870 1.668 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.923 -8.998 3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.710 -10.227 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.695 -11.240 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.840 -12.238 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.767 -10.912 3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.426 -13.027 4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.639 -11.560 5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.052 -13.058 6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.166 -12.200 5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.778 -14.252 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.404 -14.224 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.333 -14.970 5.806 1.00 0.00 H new ATOM 210 N PHE A 18 -8.910 -7.730 4.515 1.00 0.00 N ATOM 211 CA PHE A 18 -7.937 -6.685 4.812 1.00 0.00 C ATOM 212 C PHE A 18 -6.670 -7.236 5.459 1.00 0.00 C ATOM 213 O PHE A 18 -6.718 -7.861 6.522 1.00 0.00 O ATOM 214 CB PHE A 18 -8.556 -5.631 5.732 1.00 0.00 C ATOM 215 CG PHE A 18 -9.622 -4.794 5.081 1.00 0.00 C ATOM 216 CD1 PHE A 18 -9.293 -3.634 4.400 1.00 0.00 C ATOM 217 CD2 PHE A 18 -10.955 -5.163 5.160 1.00 0.00 C ATOM 218 CE1 PHE A 18 -10.273 -2.859 3.809 1.00 0.00 C ATOM 219 CE2 PHE A 18 -11.939 -4.392 4.573 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.597 -3.239 3.896 1.00 0.00 C ATOM 0 H PHE A 18 -9.616 -7.867 5.239 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.657 -6.235 3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.983 -6.130 6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.766 -4.974 6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.259 -3.331 4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.228 -6.065 5.687 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.003 -1.957 3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.974 -4.691 4.644 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.364 -2.635 3.435 1.00 0.00 H new ATOM 230 N THR A 19 -5.544 -7.007 4.799 1.00 0.00 N ATOM 231 CA THR A 19 -4.249 -7.428 5.311 1.00 0.00 C ATOM 232 C THR A 19 -3.573 -6.258 6.019 1.00 0.00 C ATOM 233 O THR A 19 -2.746 -6.440 6.912 1.00 0.00 O ATOM 234 CB THR A 19 -3.331 -7.926 4.181 1.00 0.00 C ATOM 235 OG1 THR A 19 -4.041 -7.919 2.936 1.00 0.00 O ATOM 236 CG2 THR A 19 -2.821 -9.327 4.476 1.00 0.00 C ATOM 0 H THR A 19 -5.502 -6.527 3.900 1.00 0.00 H new ATOM 0 HA THR A 19 -4.417 -8.249 6.008 1.00 0.00 H new ATOM 0 HB THR A 19 -2.475 -7.255 4.113 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.265 -8.839 2.682 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.174 -9.657 3.663 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.257 -9.320 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.666 -10.010 4.568 1.00 0.00 H new ATOM 244 N TYR A 20 -3.941 -5.053 5.594 1.00 0.00 N ATOM 245 CA TYR A 20 -3.410 -3.818 6.159 1.00 0.00 C ATOM 246 C TYR A 20 -4.304 -2.657 5.751 1.00 0.00 C ATOM 247 O TYR A 20 -4.644 -2.511 4.575 1.00 0.00 O ATOM 248 CB TYR A 20 -1.970 -3.563 5.690 1.00 0.00 C ATOM 249 CG TYR A 20 -1.355 -2.289 6.241 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.737 -2.270 7.488 1.00 0.00 C ATOM 251 CD2 TYR A 20 -1.394 -1.105 5.514 1.00 0.00 C ATOM 252 CE1 TYR A 20 -0.179 -1.109 7.992 1.00 0.00 C ATOM 253 CE2 TYR A 20 -0.840 0.059 6.013 1.00 0.00 C ATOM 254 CZ TYR A 20 -0.235 0.052 7.250 1.00 0.00 C ATOM 255 OH TYR A 20 0.314 1.214 7.749 1.00 0.00 O ATOM 0 H TYR A 20 -4.618 -4.906 4.846 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.394 -3.911 7.245 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.349 -4.410 5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.956 -3.519 4.601 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.692 -3.177 8.072 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.865 -1.094 4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.298 -1.112 8.961 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.881 0.970 5.435 1.00 0.00 H new ATOM 0 HH TYR A 20 1.069 0.994 8.334 1.00 0.00 H new ATOM 265 N CYS A 21 -4.691 -1.843 6.713 1.00 0.00 N ATOM 266 CA CYS A 21 -5.549 -0.705 6.438 1.00 0.00 C ATOM 267 C CYS A 21 -4.853 0.588 6.818 1.00 0.00 C ATOM 268 O CYS A 21 -4.046 0.619 7.749 1.00 0.00 O ATOM 269 CB CYS A 21 -6.865 -0.828 7.207 1.00 0.00 C ATOM 270 SG CYS A 21 -7.557 -2.496 7.222 1.00 0.00 S ATOM 0 H CYS A 21 -4.426 -1.947 7.692 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.764 -0.691 5.369 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.704 -0.504 8.235 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.595 -0.147 6.768 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.159 -2.726 6.093 1.00 0.00 H new ATOM 276 N ASP A 22 -5.145 1.643 6.076 1.00 0.00 N ATOM 277 CA ASP A 22 -4.571 2.952 6.348 1.00 0.00 C ATOM 278 C ASP A 22 -5.156 3.504 7.642 1.00 0.00 C ATOM 279 O ASP A 22 -6.302 3.211 7.975 1.00 0.00 O ATOM 280 CB ASP A 22 -4.865 3.904 5.191 1.00 0.00 C ATOM 281 CG ASP A 22 -3.997 5.139 5.222 1.00 0.00 C ATOM 282 OD1 ASP A 22 -4.263 6.030 6.047 1.00 0.00 O ATOM 283 OD2 ASP A 22 -3.033 5.216 4.431 1.00 0.00 O ATOM 0 H ASP A 22 -5.779 1.619 5.277 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.490 2.856 6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.713 3.381 4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.913 4.200 5.226 1.00 0.00 H new ATOM 288 N ASP A 23 -4.389 4.319 8.356 1.00 0.00 N ATOM 289 CA ASP A 23 -4.852 4.882 9.624 1.00 0.00 C ATOM 290 C ASP A 23 -5.998 5.866 9.406 1.00 0.00 C ATOM 291 O ASP A 23 -6.735 6.191 10.338 1.00 0.00 O ATOM 292 CB ASP A 23 -3.700 5.561 10.382 1.00 0.00 C ATOM 293 CG ASP A 23 -3.333 6.932 9.838 1.00 0.00 C ATOM 294 OD1 ASP A 23 -2.507 7.004 8.906 1.00 0.00 O ATOM 295 OD2 ASP A 23 -3.840 7.948 10.365 1.00 0.00 O ATOM 0 H ASP A 23 -3.449 4.605 8.083 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.223 4.057 10.232 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.976 5.659 11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.821 4.917 10.342 1.00 0.00 H new ATOM 300 N ARG A 24 -6.161 6.315 8.169 1.00 0.00 N ATOM 301 CA ARG A 24 -7.215 7.261 7.828 1.00 0.00 C ATOM 302 C ARG A 24 -8.589 6.597 7.772 1.00 0.00 C ATOM 303 O ARG A 24 -9.613 7.283 7.757 1.00 0.00 O ATOM 304 CB ARG A 24 -6.898 7.936 6.495 1.00 0.00 C ATOM 305 CG ARG A 24 -5.736 8.904 6.593 1.00 0.00 C ATOM 306 CD ARG A 24 -4.911 8.942 5.320 1.00 0.00 C ATOM 307 NE ARG A 24 -3.729 9.777 5.489 1.00 0.00 N ATOM 308 CZ ARG A 24 -3.542 10.937 4.877 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.413 11.362 3.970 1.00 0.00 N ATOM 310 NH2 ARG A 24 -2.471 11.662 5.158 1.00 0.00 N ATOM 0 H ARG A 24 -5.574 6.038 7.382 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.252 8.012 8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.669 7.173 5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.781 8.469 6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.115 9.903 6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.097 8.619 7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.610 7.931 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.518 9.326 4.500 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.998 9.447 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.230 10.795 3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.266 12.256 3.501 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.794 11.327 5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.323 12.556 4.689 1.00 0.00 H new ATOM 324 N ILE A 25 -8.623 5.267 7.759 1.00 0.00 N ATOM 325 CA ILE A 25 -9.894 4.548 7.708 1.00 0.00 C ATOM 326 C ILE A 25 -10.693 4.775 8.995 1.00 0.00 C ATOM 327 O ILE A 25 -11.924 4.683 9.005 1.00 0.00 O ATOM 328 CB ILE A 25 -9.696 3.030 7.460 1.00 0.00 C ATOM 329 CG1 ILE A 25 -11.022 2.377 7.062 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.113 2.342 8.686 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.896 0.915 6.687 1.00 0.00 C ATOM 0 H ILE A 25 -7.796 4.671 7.783 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.456 4.948 6.864 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.987 2.914 6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.725 2.471 7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.447 2.923 6.220 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.986 1.279 8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.146 2.783 8.925 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.789 2.470 9.531 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.877 0.523 6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.219 0.814 5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.502 0.355 7.535 1.00 0.00 H new ATOM 343 N THR A 26 -9.983 5.109 10.066 1.00 0.00 N ATOM 344 CA THR A 26 -10.603 5.366 11.356 1.00 0.00 C ATOM 345 C THR A 26 -11.375 6.679 11.340 1.00 0.00 C ATOM 346 O THR A 26 -12.307 6.872 12.118 1.00 0.00 O ATOM 347 CB THR A 26 -9.544 5.430 12.471 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.388 4.675 12.087 1.00 0.00 O ATOM 349 CG2 THR A 26 -10.102 4.888 13.779 1.00 0.00 C ATOM 0 H THR A 26 -8.968 5.208 10.063 1.00 0.00 H new ATOM 0 HA THR A 26 -11.291 4.543 11.552 1.00 0.00 H new ATOM 0 HB THR A 26 -9.264 6.473 12.621 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.764 5.256 11.604 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.336 4.943 14.552 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.965 5.482 14.080 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.406 3.850 13.643 1.00 0.00 H new ATOM 357 N GLU A 27 -10.986 7.576 10.444 1.00 0.00 N ATOM 358 CA GLU A 27 -11.629 8.877 10.337 1.00 0.00 C ATOM 359 C GLU A 27 -12.772 8.841 9.326 1.00 0.00 C ATOM 360 O GLU A 27 -13.750 9.580 9.447 1.00 0.00 O ATOM 361 CB GLU A 27 -10.603 9.932 9.919 1.00 0.00 C ATOM 362 CG GLU A 27 -9.281 9.822 10.661 1.00 0.00 C ATOM 363 CD GLU A 27 -8.257 10.830 10.186 1.00 0.00 C ATOM 364 OE1 GLU A 27 -8.436 12.036 10.448 1.00 0.00 O ATOM 365 OE2 GLU A 27 -7.261 10.426 9.547 1.00 0.00 O ATOM 0 H GLU A 27 -10.227 7.425 9.780 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.041 9.135 11.313 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.418 9.843 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.024 10.923 10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.455 9.963 11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.881 8.816 10.534 1.00 0.00 H new ATOM 372 N LEU A 28 -12.642 7.973 8.334 1.00 0.00 N ATOM 373 CA LEU A 28 -13.651 7.855 7.289 1.00 0.00 C ATOM 374 C LEU A 28 -14.734 6.845 7.656 1.00 0.00 C ATOM 375 O LEU A 28 -15.910 7.193 7.771 1.00 0.00 O ATOM 376 CB LEU A 28 -12.982 7.460 5.973 1.00 0.00 C ATOM 377 CG LEU A 28 -11.832 8.371 5.549 1.00 0.00 C ATOM 378 CD1 LEU A 28 -11.036 7.740 4.421 1.00 0.00 C ATOM 379 CD2 LEU A 28 -12.365 9.730 5.132 1.00 0.00 C ATOM 0 H LEU A 28 -11.849 7.340 8.230 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.136 8.825 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.607 6.440 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.735 7.455 5.185 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.165 8.506 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.222 8.405 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.626 6.787 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.688 7.574 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.535 10.370 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.052 9.610 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.891 10.187 5.970 1.00 0.00 H new ATOM 391 N ILE A 29 -14.333 5.596 7.841 1.00 0.00 N ATOM 392 CA ILE A 29 -15.274 4.540 8.186 1.00 0.00 C ATOM 393 C ILE A 29 -15.574 4.564 9.678 1.00 0.00 C ATOM 394 O ILE A 29 -16.722 4.409 10.093 1.00 0.00 O ATOM 395 CB ILE A 29 -14.735 3.146 7.787 1.00 0.00 C ATOM 396 CG1 ILE A 29 -14.484 3.081 6.276 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.699 2.043 8.213 1.00 0.00 C ATOM 398 CD1 ILE A 29 -15.701 3.413 5.435 1.00 0.00 C ATOM 0 H ILE A 29 -13.364 5.289 7.758 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.192 4.724 7.628 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.790 2.989 8.306 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.680 3.771 6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.139 2.080 6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.295 1.074 7.920 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.828 2.070 9.295 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.663 2.196 7.729 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.443 3.345 4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -16.501 2.708 5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.035 4.425 5.662 1.00 0.00 H new ATOM 410 N GLY A 30 -14.537 4.762 10.478 1.00 0.00 N ATOM 411 CA GLY A 30 -14.711 4.807 11.916 1.00 0.00 C ATOM 412 C GLY A 30 -14.150 3.579 12.601 1.00 0.00 C ATOM 413 O GLY A 30 -14.261 3.433 13.816 1.00 0.00 O ATOM 0 H GLY A 30 -13.577 4.892 10.158 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.221 5.697 12.311 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.772 4.897 12.149 1.00 0.00 H new ATOM 417 N TYR A 31 -13.561 2.693 11.815 1.00 0.00 N ATOM 418 CA TYR A 31 -12.972 1.469 12.339 1.00 0.00 C ATOM 419 C TYR A 31 -11.456 1.558 12.287 1.00 0.00 C ATOM 420 O TYR A 31 -10.892 1.838 11.232 1.00 0.00 O ATOM 421 CB TYR A 31 -13.428 0.260 11.516 1.00 0.00 C ATOM 422 CG TYR A 31 -14.707 -0.384 12.000 1.00 0.00 C ATOM 423 CD1 TYR A 31 -14.760 -1.035 13.227 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.858 -0.355 11.223 1.00 0.00 C ATOM 425 CE1 TYR A 31 -15.925 -1.633 13.667 1.00 0.00 C ATOM 426 CE2 TYR A 31 -17.026 -0.952 11.655 1.00 0.00 C ATOM 427 CZ TYR A 31 -17.055 -1.589 12.877 1.00 0.00 C ATOM 428 OH TYR A 31 -18.218 -2.186 13.310 1.00 0.00 O ATOM 0 H TYR A 31 -13.477 2.799 10.804 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.300 1.347 13.371 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.563 0.572 10.480 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.635 -0.488 11.523 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.876 -1.074 13.846 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.839 0.143 10.265 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -15.951 -2.132 14.624 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.912 -0.920 11.038 1.00 0.00 H new ATOM 0 HH TYR A 31 -18.919 -2.063 12.637 1.00 0.00 H new ATOM 438 N HIS A 32 -10.799 1.345 13.421 1.00 0.00 N ATOM 439 CA HIS A 32 -9.340 1.386 13.454 1.00 0.00 C ATOM 440 C HIS A 32 -8.774 0.200 12.675 1.00 0.00 C ATOM 441 O HIS A 32 -9.263 -0.920 12.808 1.00 0.00 O ATOM 442 CB HIS A 32 -8.793 1.424 14.896 1.00 0.00 C ATOM 443 CG HIS A 32 -9.338 0.375 15.818 1.00 0.00 C ATOM 444 ND1 HIS A 32 -10.240 0.654 16.817 1.00 0.00 N ATOM 445 CD2 HIS A 32 -9.095 -0.955 15.898 1.00 0.00 C ATOM 446 CE1 HIS A 32 -10.528 -0.454 17.468 1.00 0.00 C ATOM 447 NE2 HIS A 32 -9.850 -1.448 16.931 1.00 0.00 N ATOM 0 H HIS A 32 -11.243 1.145 14.317 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.015 2.311 12.977 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.708 1.322 14.858 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.006 2.404 15.322 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.429 -1.523 15.265 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -11.207 -0.535 18.304 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -9.882 -2.422 17.233 1.00 0.00 H new ATOM 456 N PRO A 33 -7.742 0.452 11.849 1.00 0.00 N ATOM 457 CA PRO A 33 -7.090 -0.552 10.992 1.00 0.00 C ATOM 458 C PRO A 33 -6.965 -1.954 11.597 1.00 0.00 C ATOM 459 O PRO A 33 -7.341 -2.941 10.961 1.00 0.00 O ATOM 460 CB PRO A 33 -5.707 0.049 10.778 1.00 0.00 C ATOM 461 CG PRO A 33 -5.935 1.522 10.777 1.00 0.00 C ATOM 462 CD PRO A 33 -7.117 1.779 11.681 1.00 0.00 C ATOM 0 HA PRO A 33 -7.679 -0.726 10.091 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.019 -0.245 11.571 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.270 -0.286 9.837 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.052 2.051 11.135 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.134 1.882 9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.803 2.195 12.638 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.811 2.492 11.236 1.00 0.00 H new ATOM 470 N GLU A 34 -6.456 -2.038 12.825 1.00 0.00 N ATOM 471 CA GLU A 34 -6.248 -3.327 13.499 1.00 0.00 C ATOM 472 C GLU A 34 -7.541 -4.145 13.640 1.00 0.00 C ATOM 473 O GLU A 34 -7.496 -5.369 13.770 1.00 0.00 O ATOM 474 CB GLU A 34 -5.636 -3.107 14.884 1.00 0.00 C ATOM 475 CG GLU A 34 -4.372 -2.258 14.880 1.00 0.00 C ATOM 476 CD GLU A 34 -3.236 -2.878 14.087 1.00 0.00 C ATOM 477 OE1 GLU A 34 -2.915 -4.063 14.318 1.00 0.00 O ATOM 478 OE2 GLU A 34 -2.639 -2.168 13.248 1.00 0.00 O ATOM 0 H GLU A 34 -6.178 -1.228 13.379 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.566 -3.899 12.869 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.378 -2.631 15.525 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.408 -4.077 15.326 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.603 -1.277 14.465 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.045 -2.100 15.908 1.00 0.00 H new ATOM 485 N GLU A 35 -8.688 -3.476 13.588 1.00 0.00 N ATOM 486 CA GLU A 35 -9.977 -4.149 13.737 1.00 0.00 C ATOM 487 C GLU A 35 -10.418 -4.817 12.438 1.00 0.00 C ATOM 488 O GLU A 35 -11.360 -5.610 12.428 1.00 0.00 O ATOM 489 CB GLU A 35 -11.046 -3.150 14.188 1.00 0.00 C ATOM 490 CG GLU A 35 -12.169 -3.776 14.994 1.00 0.00 C ATOM 491 CD GLU A 35 -11.663 -4.503 16.222 1.00 0.00 C ATOM 492 OE1 GLU A 35 -10.935 -3.886 17.026 1.00 0.00 O ATOM 493 OE2 GLU A 35 -11.985 -5.695 16.385 1.00 0.00 O ATOM 0 H GLU A 35 -8.753 -2.468 13.444 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.856 -4.924 14.494 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.573 -2.371 14.786 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.470 -2.664 13.309 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.871 -2.999 15.298 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.720 -4.474 14.363 1.00 0.00 H new ATOM 500 N LEU A 36 -9.740 -4.496 11.348 1.00 0.00 N ATOM 501 CA LEU A 36 -10.080 -5.067 10.051 1.00 0.00 C ATOM 502 C LEU A 36 -9.018 -6.059 9.594 1.00 0.00 C ATOM 503 O LEU A 36 -9.251 -6.860 8.689 1.00 0.00 O ATOM 504 CB LEU A 36 -10.233 -3.964 8.995 1.00 0.00 C ATOM 505 CG LEU A 36 -11.288 -2.895 9.296 1.00 0.00 C ATOM 506 CD1 LEU A 36 -10.656 -1.688 9.974 1.00 0.00 C ATOM 507 CD2 LEU A 36 -11.995 -2.472 8.018 1.00 0.00 C ATOM 0 H LEU A 36 -8.954 -3.846 11.333 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.029 -5.592 10.163 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.269 -3.471 8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.478 -4.432 8.041 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.023 -3.325 9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.424 -0.942 10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.193 -1.998 10.911 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.898 -1.258 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.741 -1.712 8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.267 -2.064 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.485 -3.337 7.570 1.00 0.00 H new ATOM 519 N LEU A 37 -7.863 -6.013 10.238 1.00 0.00 N ATOM 520 CA LEU A 37 -6.748 -6.881 9.878 1.00 0.00 C ATOM 521 C LEU A 37 -7.017 -8.339 10.233 1.00 0.00 C ATOM 522 O LEU A 37 -7.154 -8.693 11.404 1.00 0.00 O ATOM 523 CB LEU A 37 -5.465 -6.415 10.571 1.00 0.00 C ATOM 524 CG LEU A 37 -5.100 -4.945 10.356 1.00 0.00 C ATOM 525 CD1 LEU A 37 -3.711 -4.655 10.899 1.00 0.00 C ATOM 526 CD2 LEU A 37 -5.183 -4.587 8.884 1.00 0.00 C ATOM 0 H LEU A 37 -7.671 -5.382 11.016 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.629 -6.815 8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.565 -6.594 11.642 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.638 -7.032 10.220 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.816 -4.329 10.901 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.469 -3.605 10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.685 -4.873 11.967 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.981 -5.279 10.383 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.920 -3.538 8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.490 -5.210 8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.198 -4.756 8.525 1.00 0.00 H new ATOM 538 N GLY A 38 -7.106 -9.178 9.208 1.00 0.00 N ATOM 539 CA GLY A 38 -7.324 -10.596 9.419 1.00 0.00 C ATOM 540 C GLY A 38 -8.783 -10.995 9.399 1.00 0.00 C ATOM 541 O GLY A 38 -9.102 -12.179 9.303 1.00 0.00 O ATOM 0 H GLY A 38 -7.031 -8.899 8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.793 -11.155 8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.891 -10.883 10.377 1.00 0.00 H new ATOM 545 N ARG A 39 -9.674 -10.022 9.477 1.00 0.00 N ATOM 546 CA ARG A 39 -11.099 -10.311 9.477 1.00 0.00 C ATOM 547 C ARG A 39 -11.632 -10.377 8.048 1.00 0.00 C ATOM 548 O ARG A 39 -10.884 -10.176 7.089 1.00 0.00 O ATOM 549 CB ARG A 39 -11.860 -9.260 10.289 1.00 0.00 C ATOM 550 CG ARG A 39 -12.170 -7.986 9.521 1.00 0.00 C ATOM 551 CD ARG A 39 -13.108 -7.088 10.304 1.00 0.00 C ATOM 552 NE ARG A 39 -14.242 -7.825 10.859 1.00 0.00 N ATOM 553 CZ ARG A 39 -14.738 -7.614 12.076 1.00 0.00 C ATOM 554 NH1 ARG A 39 -14.155 -6.741 12.891 1.00 0.00 N ATOM 555 NH2 ARG A 39 -15.798 -8.295 12.484 1.00 0.00 N ATOM 0 H ARG A 39 -9.439 -9.031 9.541 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.253 -11.283 9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -12.795 -9.696 10.641 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.275 -9.005 11.172 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.244 -7.452 9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.620 -8.238 8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.558 -6.608 11.113 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.476 -6.294 9.654 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.678 -8.542 10.280 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.326 -6.232 12.584 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.536 -6.580 13.823 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.233 -8.980 11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.179 -8.135 13.416 1.00 0.00 H new ATOM 569 N SER A 40 -12.920 -10.649 7.906 1.00 0.00 N ATOM 570 CA SER A 40 -13.530 -10.743 6.596 1.00 0.00 C ATOM 571 C SER A 40 -14.056 -9.382 6.158 1.00 0.00 C ATOM 572 O SER A 40 -14.713 -8.679 6.927 1.00 0.00 O ATOM 573 CB SER A 40 -14.662 -11.772 6.611 1.00 0.00 C ATOM 574 OG SER A 40 -15.222 -11.945 5.318 1.00 0.00 O ATOM 0 H SER A 40 -13.560 -10.808 8.684 1.00 0.00 H new ATOM 0 HA SER A 40 -12.774 -11.068 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.283 -12.727 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.438 -11.451 7.305 1.00 0.00 H new ATOM 0 HG SER A 40 -15.941 -12.609 5.359 1.00 0.00 H new ATOM 580 N ALA A 41 -13.758 -9.010 4.923 1.00 0.00 N ATOM 581 CA ALA A 41 -14.206 -7.736 4.385 1.00 0.00 C ATOM 582 C ALA A 41 -15.688 -7.796 4.041 1.00 0.00 C ATOM 583 O ALA A 41 -16.373 -6.775 3.997 1.00 0.00 O ATOM 584 CB ALA A 41 -13.391 -7.366 3.157 1.00 0.00 C ATOM 0 H ALA A 41 -13.208 -9.573 4.274 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.059 -6.968 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.738 -6.410 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.339 -7.287 3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.512 -8.136 2.395 1.00 0.00 H new ATOM 590 N TYR A 42 -16.185 -9.011 3.831 1.00 0.00 N ATOM 591 CA TYR A 42 -17.586 -9.222 3.483 1.00 0.00 C ATOM 592 C TYR A 42 -18.503 -8.990 4.681 1.00 0.00 C ATOM 593 O TYR A 42 -19.725 -8.982 4.540 1.00 0.00 O ATOM 594 CB TYR A 42 -17.793 -10.636 2.935 1.00 0.00 C ATOM 595 CG TYR A 42 -17.489 -10.767 1.457 1.00 0.00 C ATOM 596 CD1 TYR A 42 -16.214 -11.097 1.012 1.00 0.00 C ATOM 597 CD2 TYR A 42 -18.483 -10.566 0.506 1.00 0.00 C ATOM 598 CE1 TYR A 42 -15.939 -11.223 -0.338 1.00 0.00 C ATOM 599 CE2 TYR A 42 -18.214 -10.690 -0.843 1.00 0.00 C ATOM 600 CZ TYR A 42 -16.942 -11.019 -1.259 1.00 0.00 C ATOM 601 OH TYR A 42 -16.675 -11.146 -2.605 1.00 0.00 O ATOM 0 H TYR A 42 -15.636 -9.868 3.896 1.00 0.00 H new ATOM 0 HA TYR A 42 -17.846 -8.496 2.713 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -17.159 -11.328 3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -18.825 -10.937 3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -15.425 -11.258 1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -19.482 -10.309 0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.943 -11.480 -0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -18.997 -10.530 -1.569 1.00 0.00 H new ATOM 0 HH TYR A 42 -15.705 -11.175 -2.745 1.00 0.00 H new ATOM 611 N GLU A 43 -17.911 -8.786 5.853 1.00 0.00 N ATOM 612 CA GLU A 43 -18.682 -8.549 7.071 1.00 0.00 C ATOM 613 C GLU A 43 -19.333 -7.167 7.048 1.00 0.00 C ATOM 614 O GLU A 43 -20.202 -6.865 7.866 1.00 0.00 O ATOM 615 CB GLU A 43 -17.783 -8.668 8.301 1.00 0.00 C ATOM 616 CG GLU A 43 -17.204 -10.058 8.512 1.00 0.00 C ATOM 617 CD GLU A 43 -16.364 -10.147 9.770 1.00 0.00 C ATOM 618 OE1 GLU A 43 -16.938 -10.112 10.876 1.00 0.00 O ATOM 619 OE2 GLU A 43 -15.122 -10.247 9.667 1.00 0.00 O ATOM 0 H GLU A 43 -16.900 -8.780 5.987 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.466 -9.304 7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -16.964 -7.954 8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.355 -8.386 9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -18.016 -10.783 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.594 -10.329 7.651 1.00 0.00 H new ATOM 626 N PHE A 44 -18.888 -6.330 6.118 1.00 0.00 N ATOM 627 CA PHE A 44 -19.412 -4.978 5.974 1.00 0.00 C ATOM 628 C PHE A 44 -19.236 -4.508 4.536 1.00 0.00 C ATOM 629 O PHE A 44 -19.026 -3.323 4.268 1.00 0.00 O ATOM 630 CB PHE A 44 -18.696 -4.022 6.936 1.00 0.00 C ATOM 631 CG PHE A 44 -17.222 -4.284 7.068 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.331 -3.826 6.109 1.00 0.00 C ATOM 633 CD2 PHE A 44 -16.729 -4.993 8.151 1.00 0.00 C ATOM 634 CE1 PHE A 44 -14.978 -4.069 6.230 1.00 0.00 C ATOM 635 CE2 PHE A 44 -15.377 -5.239 8.277 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.500 -4.778 7.315 1.00 0.00 C ATOM 0 H PHE A 44 -18.158 -6.568 5.446 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.474 -4.983 6.220 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.844 -2.998 6.593 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -19.158 -4.098 7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.700 -3.273 5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.410 -5.357 8.905 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.294 -3.705 5.478 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.005 -5.792 9.127 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.442 -4.972 7.411 1.00 0.00 H new ATOM 646 N TYR A 45 -19.358 -5.443 3.605 1.00 0.00 N ATOM 647 CA TYR A 45 -19.184 -5.138 2.193 1.00 0.00 C ATOM 648 C TYR A 45 -20.478 -4.654 1.550 1.00 0.00 C ATOM 649 O TYR A 45 -20.823 -5.077 0.447 1.00 0.00 O ATOM 650 CB TYR A 45 -18.640 -6.355 1.444 1.00 0.00 C ATOM 651 CG TYR A 45 -17.210 -6.179 0.971 1.00 0.00 C ATOM 652 CD1 TYR A 45 -16.499 -5.018 1.254 1.00 0.00 C ATOM 653 CD2 TYR A 45 -16.573 -7.176 0.244 1.00 0.00 C ATOM 654 CE1 TYR A 45 -15.194 -4.856 0.825 1.00 0.00 C ATOM 655 CE2 TYR A 45 -15.269 -7.022 -0.188 1.00 0.00 C ATOM 656 CZ TYR A 45 -14.584 -5.861 0.105 1.00 0.00 C ATOM 657 OH TYR A 45 -13.285 -5.706 -0.327 1.00 0.00 O ATOM 0 H TYR A 45 -19.577 -6.419 3.802 1.00 0.00 H new ATOM 0 HA TYR A 45 -18.460 -4.326 2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -18.695 -7.228 2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -19.277 -6.558 0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.974 -4.229 1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -17.105 -8.087 0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.656 -3.948 1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.788 -7.807 -0.753 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.164 -6.178 -1.177 1.00 0.00 H new ATOM 667 N HIS A 46 -21.155 -3.728 2.238 1.00 0.00 N ATOM 668 CA HIS A 46 -22.408 -3.114 1.766 1.00 0.00 C ATOM 669 C HIS A 46 -23.457 -4.164 1.424 1.00 0.00 C ATOM 670 O HIS A 46 -23.466 -4.701 0.322 1.00 0.00 O ATOM 671 CB HIS A 46 -22.185 -2.199 0.543 1.00 0.00 C ATOM 672 CG HIS A 46 -20.749 -1.969 0.169 1.00 0.00 C ATOM 673 ND1 HIS A 46 -20.202 -2.398 -1.020 1.00 0.00 N ATOM 674 CD2 HIS A 46 -19.745 -1.361 0.844 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.926 -2.065 -1.058 1.00 0.00 C ATOM 676 NE2 HIS A 46 -18.625 -1.436 0.060 1.00 0.00 N ATOM 0 H HIS A 46 -20.849 -3.379 3.146 1.00 0.00 H new ATOM 0 HA HIS A 46 -22.772 -2.504 2.593 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -22.702 -2.632 -0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.651 -1.234 0.742 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -20.704 -2.895 -1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.815 -0.902 1.819 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.243 -2.273 -1.869 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.706 -1.065 0.302 1.00 0.00 H new ATOM 685 N ALA A 47 -24.362 -4.416 2.359 1.00 0.00 N ATOM 686 CA ALA A 47 -25.418 -5.413 2.182 1.00 0.00 C ATOM 687 C ALA A 47 -26.225 -5.206 0.897 1.00 0.00 C ATOM 688 O ALA A 47 -26.669 -6.172 0.281 1.00 0.00 O ATOM 689 CB ALA A 47 -26.345 -5.410 3.388 1.00 0.00 C ATOM 0 H ALA A 47 -24.389 -3.939 3.260 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.927 -6.382 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -27.128 -6.155 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.775 -5.648 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.798 -4.424 3.496 1.00 0.00 H new ATOM 695 N LEU A 48 -26.417 -3.956 0.489 1.00 0.00 N ATOM 696 CA LEU A 48 -27.188 -3.673 -0.719 1.00 0.00 C ATOM 697 C LEU A 48 -26.283 -3.466 -1.936 1.00 0.00 C ATOM 698 O LEU A 48 -26.765 -3.211 -3.040 1.00 0.00 O ATOM 699 CB LEU A 48 -28.086 -2.450 -0.505 1.00 0.00 C ATOM 700 CG LEU A 48 -27.359 -1.126 -0.254 1.00 0.00 C ATOM 701 CD1 LEU A 48 -27.434 -0.240 -1.486 1.00 0.00 C ATOM 702 CD2 LEU A 48 -27.958 -0.413 0.947 1.00 0.00 C ATOM 0 H LEU A 48 -26.055 -3.132 0.969 1.00 0.00 H new ATOM 0 HA LEU A 48 -27.814 -4.542 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -28.723 -2.333 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.743 -2.649 0.342 1.00 0.00 H new ATOM 0 HG LEU A 48 -26.311 -1.340 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -26.913 0.698 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -26.965 -0.748 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.478 -0.033 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -27.431 0.526 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -29.012 -0.209 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -27.861 -1.044 1.830 1.00 0.00 H new ATOM 714 N ASP A 49 -24.979 -3.599 -1.738 1.00 0.00 N ATOM 715 CA ASP A 49 -24.017 -3.418 -2.822 1.00 0.00 C ATOM 716 C ASP A 49 -22.894 -4.443 -2.701 1.00 0.00 C ATOM 717 O ASP A 49 -21.711 -4.112 -2.829 1.00 0.00 O ATOM 718 CB ASP A 49 -23.440 -1.993 -2.812 1.00 0.00 C ATOM 719 CG ASP A 49 -23.938 -1.139 -3.969 1.00 0.00 C ATOM 720 OD1 ASP A 49 -24.176 -1.691 -5.065 1.00 0.00 O ATOM 721 OD2 ASP A 49 -24.086 0.092 -3.783 1.00 0.00 O ATOM 0 H ASP A 49 -24.560 -3.832 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 49 -24.535 -3.568 -3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -23.702 -1.508 -1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.352 -2.048 -2.851 1.00 0.00 H new ATOM 726 N SER A 50 -23.274 -5.686 -2.432 1.00 0.00 N ATOM 727 CA SER A 50 -22.317 -6.772 -2.293 1.00 0.00 C ATOM 728 C SER A 50 -22.048 -7.409 -3.648 1.00 0.00 C ATOM 729 O SER A 50 -20.917 -7.780 -3.955 1.00 0.00 O ATOM 730 CB SER A 50 -22.848 -7.831 -1.325 1.00 0.00 C ATOM 731 OG SER A 50 -23.266 -7.249 -0.101 1.00 0.00 O ATOM 0 H SER A 50 -24.246 -5.966 -2.305 1.00 0.00 H new ATOM 0 HA SER A 50 -21.388 -6.363 -1.896 1.00 0.00 H new ATOM 0 HB2 SER A 50 -23.684 -8.359 -1.783 1.00 0.00 H new ATOM 0 HB3 SER A 50 -22.072 -8.571 -1.131 1.00 0.00 H new ATOM 0 HG SER A 50 -22.926 -6.332 -0.042 1.00 0.00 H new ATOM 737 N GLU A 51 -23.104 -7.520 -4.452 1.00 0.00 N ATOM 738 CA GLU A 51 -23.017 -8.109 -5.785 1.00 0.00 C ATOM 739 C GLU A 51 -21.882 -7.492 -6.592 1.00 0.00 C ATOM 740 O GLU A 51 -21.033 -8.202 -7.131 1.00 0.00 O ATOM 741 CB GLU A 51 -24.339 -7.919 -6.529 1.00 0.00 C ATOM 742 CG GLU A 51 -25.423 -8.895 -6.107 1.00 0.00 C ATOM 743 CD GLU A 51 -25.065 -10.331 -6.423 1.00 0.00 C ATOM 744 OE1 GLU A 51 -25.016 -10.686 -7.619 1.00 0.00 O ATOM 745 OE2 GLU A 51 -24.834 -11.113 -5.476 1.00 0.00 O ATOM 0 H GLU A 51 -24.040 -7.205 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 51 -22.813 -9.173 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -24.695 -6.902 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -24.162 -8.027 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -25.600 -8.795 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -26.355 -8.637 -6.610 1.00 0.00 H new ATOM 752 N ASN A 52 -21.865 -6.165 -6.642 1.00 0.00 N ATOM 753 CA ASN A 52 -20.843 -5.424 -7.373 1.00 0.00 C ATOM 754 C ASN A 52 -19.448 -5.770 -6.865 1.00 0.00 C ATOM 755 O ASN A 52 -18.493 -5.837 -7.639 1.00 0.00 O ATOM 756 CB ASN A 52 -21.089 -3.919 -7.242 1.00 0.00 C ATOM 757 CG ASN A 52 -22.105 -3.404 -8.244 1.00 0.00 C ATOM 758 OD1 ASN A 52 -23.307 -3.625 -8.101 1.00 0.00 O ATOM 759 ND2 ASN A 52 -21.625 -2.718 -9.269 1.00 0.00 N ATOM 0 H ASN A 52 -22.556 -5.574 -6.179 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.904 -5.708 -8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.436 -3.698 -6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.147 -3.387 -7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -22.259 -2.350 -9.978 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.621 -2.557 -9.350 1.00 0.00 H new ATOM 766 N MET A 53 -19.342 -6.017 -5.565 1.00 0.00 N ATOM 767 CA MET A 53 -18.064 -6.355 -4.952 1.00 0.00 C ATOM 768 C MET A 53 -17.632 -7.755 -5.349 1.00 0.00 C ATOM 769 O MET A 53 -16.476 -7.976 -5.695 1.00 0.00 O ATOM 770 CB MET A 53 -18.145 -6.255 -3.429 1.00 0.00 C ATOM 771 CG MET A 53 -18.496 -4.867 -2.929 1.00 0.00 C ATOM 772 SD MET A 53 -17.452 -3.579 -3.641 1.00 0.00 S ATOM 773 CE MET A 53 -15.863 -3.993 -2.925 1.00 0.00 C ATOM 0 H MET A 53 -20.127 -5.989 -4.914 1.00 0.00 H new ATOM 0 HA MET A 53 -17.325 -5.639 -5.312 1.00 0.00 H new ATOM 0 HB2 MET A 53 -18.891 -6.962 -3.066 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.188 -6.554 -3.002 1.00 0.00 H new ATOM 0 HG2 MET A 53 -19.539 -4.654 -3.165 1.00 0.00 H new ATOM 0 HG3 MET A 53 -18.404 -4.843 -1.843 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.420 -3.101 -2.481 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.998 -4.753 -2.155 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.203 -4.377 -3.702 1.00 0.00 H new ATOM 783 N THR A 54 -18.564 -8.697 -5.298 1.00 0.00 N ATOM 784 CA THR A 54 -18.278 -10.079 -5.656 1.00 0.00 C ATOM 785 C THR A 54 -17.868 -10.191 -7.123 1.00 0.00 C ATOM 786 O THR A 54 -16.947 -10.934 -7.461 1.00 0.00 O ATOM 787 CB THR A 54 -19.491 -10.984 -5.383 1.00 0.00 C ATOM 788 OG1 THR A 54 -20.018 -10.697 -4.080 1.00 0.00 O ATOM 789 CG2 THR A 54 -19.104 -12.454 -5.464 1.00 0.00 C ATOM 0 H THR A 54 -19.528 -8.528 -5.011 1.00 0.00 H new ATOM 0 HA THR A 54 -17.447 -10.412 -5.034 1.00 0.00 H new ATOM 0 HB THR A 54 -20.248 -10.786 -6.142 1.00 0.00 H new ATOM 0 HG1 THR A 54 -20.792 -11.272 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 54 -19.980 -13.072 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 54 -18.721 -12.675 -6.460 1.00 0.00 H new ATOM 0 HG23 THR A 54 -18.334 -12.669 -4.723 1.00 0.00 H new ATOM 797 N LYS A 55 -18.542 -9.441 -7.988 1.00 0.00 N ATOM 798 CA LYS A 55 -18.223 -9.460 -9.411 1.00 0.00 C ATOM 799 C LYS A 55 -16.827 -8.894 -9.631 1.00 0.00 C ATOM 800 O LYS A 55 -16.016 -9.476 -10.352 1.00 0.00 O ATOM 801 CB LYS A 55 -19.253 -8.664 -10.217 1.00 0.00 C ATOM 802 CG LYS A 55 -20.695 -9.082 -9.962 1.00 0.00 C ATOM 803 CD LYS A 55 -20.890 -10.586 -10.084 1.00 0.00 C ATOM 804 CE LYS A 55 -22.073 -11.061 -9.251 1.00 0.00 C ATOM 805 NZ LYS A 55 -23.360 -10.466 -9.706 1.00 0.00 N ATOM 0 H LYS A 55 -19.307 -8.817 -7.732 1.00 0.00 H new ATOM 0 HA LYS A 55 -18.252 -10.493 -9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -19.145 -7.605 -9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -19.035 -8.777 -11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.994 -8.759 -8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -21.349 -8.574 -10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -21.049 -10.850 -11.129 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.985 -11.100 -9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.139 -12.148 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -21.905 -10.803 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -24.125 -10.765 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -23.286 -9.429 -9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -23.569 -10.788 -10.672 1.00 0.00 H new ATOM 819 N SER A 56 -16.546 -7.765 -8.989 1.00 0.00 N ATOM 820 CA SER A 56 -15.240 -7.136 -9.095 1.00 0.00 C ATOM 821 C SER A 56 -14.179 -8.042 -8.471 1.00 0.00 C ATOM 822 O SER A 56 -13.055 -8.120 -8.955 1.00 0.00 O ATOM 823 CB SER A 56 -15.254 -5.765 -8.414 1.00 0.00 C ATOM 824 OG SER A 56 -16.258 -4.929 -8.975 1.00 0.00 O ATOM 0 H SER A 56 -17.207 -7.269 -8.391 1.00 0.00 H new ATOM 0 HA SER A 56 -14.997 -6.988 -10.147 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.432 -5.887 -7.346 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.278 -5.291 -8.522 1.00 0.00 H new ATOM 0 HG SER A 56 -17.132 -5.173 -8.604 1.00 0.00 H new ATOM 830 N HIS A 57 -14.561 -8.734 -7.404 1.00 0.00 N ATOM 831 CA HIS A 57 -13.676 -9.663 -6.708 1.00 0.00 C ATOM 832 C HIS A 57 -13.225 -10.765 -7.663 1.00 0.00 C ATOM 833 O HIS A 57 -12.034 -11.053 -7.776 1.00 0.00 O ATOM 834 CB HIS A 57 -14.419 -10.259 -5.498 1.00 0.00 C ATOM 835 CG HIS A 57 -13.614 -11.176 -4.618 1.00 0.00 C ATOM 836 ND1 HIS A 57 -14.133 -11.740 -3.476 1.00 0.00 N ATOM 837 CD2 HIS A 57 -12.345 -11.643 -4.718 1.00 0.00 C ATOM 838 CE1 HIS A 57 -13.224 -12.512 -2.915 1.00 0.00 C ATOM 839 NE2 HIS A 57 -12.126 -12.476 -3.647 1.00 0.00 N ATOM 0 H HIS A 57 -15.493 -8.667 -6.996 1.00 0.00 H new ATOM 0 HA HIS A 57 -12.790 -9.135 -6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -14.795 -9.438 -4.887 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -15.287 -10.808 -5.864 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.636 -11.404 -5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.356 -13.080 -2.006 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -11.262 -12.981 -3.451 1.00 0.00 H new ATOM 848 N GLN A 58 -14.184 -11.365 -8.356 1.00 0.00 N ATOM 849 CA GLN A 58 -13.891 -12.434 -9.303 1.00 0.00 C ATOM 850 C GLN A 58 -13.131 -11.899 -10.513 1.00 0.00 C ATOM 851 O GLN A 58 -12.147 -12.496 -10.952 1.00 0.00 O ATOM 852 CB GLN A 58 -15.185 -13.112 -9.759 1.00 0.00 C ATOM 853 CG GLN A 58 -15.894 -13.875 -8.653 1.00 0.00 C ATOM 854 CD GLN A 58 -17.245 -14.418 -9.079 1.00 0.00 C ATOM 855 OE1 GLN A 58 -17.463 -14.747 -10.248 1.00 0.00 O ATOM 856 NE2 GLN A 58 -18.162 -14.516 -8.131 1.00 0.00 N ATOM 0 H GLN A 58 -15.173 -11.129 -8.280 1.00 0.00 H new ATOM 0 HA GLN A 58 -13.263 -13.168 -8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.861 -12.355 -10.158 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.958 -13.798 -10.575 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.263 -14.702 -8.327 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -16.027 -13.218 -7.794 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -17.941 -14.233 -7.176 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -19.090 -14.875 -8.355 1.00 0.00 H new ATOM 865 N ASN A 59 -13.586 -10.767 -11.034 1.00 0.00 N ATOM 866 CA ASN A 59 -12.967 -10.144 -12.203 1.00 0.00 C ATOM 867 C ASN A 59 -11.521 -9.749 -11.921 1.00 0.00 C ATOM 868 O ASN A 59 -10.633 -10.016 -12.724 1.00 0.00 O ATOM 869 CB ASN A 59 -13.765 -8.907 -12.630 1.00 0.00 C ATOM 870 CG ASN A 59 -13.254 -8.298 -13.923 1.00 0.00 C ATOM 871 OD1 ASN A 59 -12.894 -9.008 -14.863 1.00 0.00 O ATOM 872 ND2 ASN A 59 -13.224 -6.975 -13.978 1.00 0.00 N ATOM 0 H ASN A 59 -14.388 -10.256 -10.664 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.972 -10.876 -13.011 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.813 -9.180 -12.751 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.720 -8.159 -11.838 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.894 -6.507 -14.822 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.531 -6.424 -13.176 1.00 0.00 H new ATOM 879 N LEU A 60 -11.299 -9.127 -10.765 1.00 0.00 N ATOM 880 CA LEU A 60 -9.971 -8.671 -10.359 1.00 0.00 C ATOM 881 C LEU A 60 -8.957 -9.813 -10.342 1.00 0.00 C ATOM 882 O LEU A 60 -7.803 -9.628 -10.734 1.00 0.00 O ATOM 883 CB LEU A 60 -10.050 -8.019 -8.977 1.00 0.00 C ATOM 884 CG LEU A 60 -8.730 -7.502 -8.404 1.00 0.00 C ATOM 885 CD1 LEU A 60 -8.086 -6.501 -9.348 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.966 -6.868 -7.044 1.00 0.00 C ATOM 0 H LEU A 60 -12.032 -8.925 -10.085 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.630 -7.941 -11.093 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.751 -7.186 -9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.467 -8.744 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.050 -8.346 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.149 -6.147 -8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.888 -6.980 -10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.759 -5.656 -9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.020 -6.503 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.662 -6.036 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.385 -7.610 -6.364 1.00 0.00 H new ATOM 898 N CYS A 61 -9.394 -10.988 -9.902 1.00 0.00 N ATOM 899 CA CYS A 61 -8.523 -12.158 -9.833 1.00 0.00 C ATOM 900 C CYS A 61 -7.973 -12.515 -11.213 1.00 0.00 C ATOM 901 O CYS A 61 -6.818 -12.914 -11.347 1.00 0.00 O ATOM 902 CB CYS A 61 -9.284 -13.353 -9.247 1.00 0.00 C ATOM 903 SG CYS A 61 -9.903 -13.085 -7.568 1.00 0.00 S ATOM 0 H CYS A 61 -10.349 -11.157 -9.587 1.00 0.00 H new ATOM 0 HA CYS A 61 -7.683 -11.915 -9.182 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.125 -13.589 -9.899 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.627 -14.223 -9.246 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.773 -12.119 -7.575 1.00 0.00 H new ATOM 909 N THR A 62 -8.798 -12.346 -12.235 1.00 0.00 N ATOM 910 CA THR A 62 -8.398 -12.653 -13.599 1.00 0.00 C ATOM 911 C THR A 62 -8.138 -11.370 -14.396 1.00 0.00 C ATOM 912 O THR A 62 -8.342 -11.320 -15.611 1.00 0.00 O ATOM 913 CB THR A 62 -9.482 -13.499 -14.297 1.00 0.00 C ATOM 914 OG1 THR A 62 -10.143 -14.328 -13.325 1.00 0.00 O ATOM 915 CG2 THR A 62 -8.875 -14.382 -15.378 1.00 0.00 C ATOM 0 H THR A 62 -9.752 -11.997 -12.145 1.00 0.00 H new ATOM 0 HA THR A 62 -7.471 -13.226 -13.559 1.00 0.00 H new ATOM 0 HB THR A 62 -10.198 -12.822 -14.763 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.833 -14.865 -13.768 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.662 -14.968 -15.854 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.385 -13.758 -16.125 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.143 -15.054 -14.930 1.00 0.00 H new ATOM 923 N LYS A 63 -7.681 -10.334 -13.703 1.00 0.00 N ATOM 924 CA LYS A 63 -7.392 -9.056 -14.343 1.00 0.00 C ATOM 925 C LYS A 63 -6.101 -8.446 -13.812 1.00 0.00 C ATOM 926 O LYS A 63 -5.185 -8.144 -14.574 1.00 0.00 O ATOM 927 CB LYS A 63 -8.548 -8.073 -14.130 1.00 0.00 C ATOM 928 CG LYS A 63 -9.617 -8.137 -15.210 1.00 0.00 C ATOM 929 CD LYS A 63 -9.079 -7.665 -16.549 1.00 0.00 C ATOM 930 CE LYS A 63 -10.095 -7.857 -17.662 1.00 0.00 C ATOM 931 NZ LYS A 63 -9.565 -7.410 -18.975 1.00 0.00 N ATOM 0 H LYS A 63 -7.503 -10.353 -12.699 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.271 -9.247 -15.409 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.009 -8.274 -13.163 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.148 -7.060 -14.088 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.982 -9.160 -15.303 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.467 -7.520 -14.920 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.808 -6.611 -16.481 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.168 -8.214 -16.789 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.374 -8.909 -17.722 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.002 -7.299 -17.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.287 -7.557 -19.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.322 -6.400 -18.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.714 -7.960 -19.211 1.00 0.00 H new ATOM 945 N GLY A 64 -6.031 -8.267 -12.503 1.00 0.00 N ATOM 946 CA GLY A 64 -4.858 -7.670 -11.897 1.00 0.00 C ATOM 947 C GLY A 64 -5.132 -6.248 -11.455 1.00 0.00 C ATOM 948 O GLY A 64 -4.577 -5.774 -10.466 1.00 0.00 O ATOM 0 H GLY A 64 -6.768 -8.525 -11.846 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.546 -8.266 -11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.033 -7.679 -12.609 1.00 0.00 H new ATOM 952 N GLN A 65 -5.994 -5.569 -12.199 1.00 0.00 N ATOM 953 CA GLN A 65 -6.374 -4.202 -11.888 1.00 0.00 C ATOM 954 C GLN A 65 -7.837 -3.977 -12.253 1.00 0.00 C ATOM 955 O GLN A 65 -8.244 -4.201 -13.395 1.00 0.00 O ATOM 956 CB GLN A 65 -5.484 -3.207 -12.634 1.00 0.00 C ATOM 957 CG GLN A 65 -5.698 -1.763 -12.207 1.00 0.00 C ATOM 958 CD GLN A 65 -4.893 -0.780 -13.033 1.00 0.00 C ATOM 959 OE1 GLN A 65 -3.678 -0.492 -12.591 1.00 0.00 O flip ATOM 960 NE2 GLN A 65 -5.361 -0.281 -14.057 1.00 0.00 N flip ATOM 0 H GLN A 65 -6.446 -5.949 -13.030 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.242 -4.040 -10.818 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.440 -3.474 -12.473 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.674 -3.293 -13.704 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.757 -1.518 -12.289 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.427 -1.656 -11.157 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.302 -0.531 -14.362 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.808 0.382 -14.600 1.00 0.00 H new ATOM 969 N VAL A 66 -8.621 -3.550 -11.280 1.00 0.00 N ATOM 970 CA VAL A 66 -10.038 -3.300 -11.491 1.00 0.00 C ATOM 971 C VAL A 66 -10.408 -1.906 -10.991 1.00 0.00 C ATOM 972 O VAL A 66 -9.846 -1.421 -10.008 1.00 0.00 O ATOM 973 CB VAL A 66 -10.906 -4.373 -10.783 1.00 0.00 C ATOM 974 CG1 VAL A 66 -10.897 -4.189 -9.270 1.00 0.00 C ATOM 975 CG2 VAL A 66 -12.330 -4.353 -11.317 1.00 0.00 C ATOM 0 H VAL A 66 -8.299 -3.368 -10.329 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.237 -3.357 -12.561 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.469 -5.347 -11.001 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -11.515 -4.958 -8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.875 -4.272 -8.899 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.294 -3.205 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -12.921 -5.114 -10.806 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -12.771 -3.372 -11.141 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -12.320 -4.559 -12.387 1.00 0.00 H new ATOM 985 N VAL A 67 -11.328 -1.252 -11.682 1.00 0.00 N ATOM 986 CA VAL A 67 -11.762 0.077 -11.292 1.00 0.00 C ATOM 987 C VAL A 67 -13.235 0.054 -10.910 1.00 0.00 C ATOM 988 O VAL A 67 -14.116 0.094 -11.773 1.00 0.00 O ATOM 989 CB VAL A 67 -11.534 1.114 -12.415 1.00 0.00 C ATOM 990 CG1 VAL A 67 -11.929 2.511 -11.954 1.00 0.00 C ATOM 991 CG2 VAL A 67 -10.084 1.095 -12.877 1.00 0.00 C ATOM 0 H VAL A 67 -11.787 -1.621 -12.515 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.161 0.377 -10.434 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.169 0.842 -13.259 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.759 3.222 -12.762 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.984 2.519 -11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.327 2.793 -11.090 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.944 1.832 -13.668 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.432 1.335 -12.038 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.836 0.104 -13.257 1.00 0.00 H new ATOM 1001 N SER A 68 -13.494 -0.039 -9.620 1.00 0.00 N ATOM 1002 CA SER A 68 -14.852 -0.066 -9.116 1.00 0.00 C ATOM 1003 C SER A 68 -15.341 1.354 -8.870 1.00 0.00 C ATOM 1004 O SER A 68 -14.831 2.051 -7.989 1.00 0.00 O ATOM 1005 CB SER A 68 -14.915 -0.887 -7.828 1.00 0.00 C ATOM 1006 OG SER A 68 -14.339 -2.168 -8.020 1.00 0.00 O ATOM 0 H SER A 68 -12.776 -0.097 -8.898 1.00 0.00 H new ATOM 0 HA SER A 68 -15.501 -0.534 -9.857 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.389 -0.362 -7.031 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.952 -0.993 -7.509 1.00 0.00 H new ATOM 0 HG SER A 68 -14.388 -2.677 -7.184 1.00 0.00 H new ATOM 1012 N GLY A 69 -16.317 1.777 -9.666 1.00 0.00 N ATOM 1013 CA GLY A 69 -16.865 3.114 -9.536 1.00 0.00 C ATOM 1014 C GLY A 69 -17.448 3.373 -8.163 1.00 0.00 C ATOM 1015 O GLY A 69 -17.797 2.428 -7.448 1.00 0.00 O ATOM 0 H GLY A 69 -16.740 1.214 -10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.082 3.845 -9.738 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.639 3.260 -10.289 1.00 0.00 H new ATOM 1019 N GLN A 70 -17.536 4.651 -7.802 1.00 0.00 N ATOM 1020 CA GLN A 70 -18.069 5.073 -6.508 1.00 0.00 C ATOM 1021 C GLN A 70 -19.330 4.304 -6.134 1.00 0.00 C ATOM 1022 O GLN A 70 -20.341 4.348 -6.836 1.00 0.00 O ATOM 1023 CB GLN A 70 -18.349 6.578 -6.511 1.00 0.00 C ATOM 1024 CG GLN A 70 -18.880 7.101 -7.836 1.00 0.00 C ATOM 1025 CD GLN A 70 -18.546 8.560 -8.057 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -19.350 9.448 -7.769 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -17.350 8.816 -8.561 1.00 0.00 N ATOM 0 H GLN A 70 -17.240 5.424 -8.398 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.312 4.851 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.070 6.805 -5.726 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -17.430 7.109 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -18.463 6.508 -8.650 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.962 6.970 -7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.716 8.049 -8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.062 9.780 -8.726 1.00 0.00 H new ATOM 1036 N TYR A 71 -19.242 3.581 -5.033 1.00 0.00 N ATOM 1037 CA TYR A 71 -20.350 2.787 -4.535 1.00 0.00 C ATOM 1038 C TYR A 71 -20.688 3.213 -3.116 1.00 0.00 C ATOM 1039 O TYR A 71 -20.040 4.098 -2.562 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.998 1.291 -4.569 1.00 0.00 C ATOM 1041 CG TYR A 71 -18.711 0.929 -3.844 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -18.547 1.194 -2.488 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -17.663 0.316 -4.517 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -17.384 0.862 -1.827 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -16.494 -0.023 -3.859 1.00 0.00 C ATOM 1046 CZ TYR A 71 -16.362 0.255 -2.514 1.00 0.00 C ATOM 1047 OH TYR A 71 -15.205 -0.082 -1.850 1.00 0.00 O ATOM 0 H TYR A 71 -18.401 3.528 -4.459 1.00 0.00 H new ATOM 0 HA TYR A 71 -21.217 2.951 -5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -20.820 0.727 -4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -19.916 0.974 -5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -19.348 1.670 -1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.762 0.100 -5.571 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -17.277 1.078 -0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -15.689 -0.503 -4.396 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.444 0.375 -2.265 1.00 0.00 H new ATOM 1057 N ARG A 72 -21.678 2.569 -2.522 1.00 0.00 N ATOM 1058 CA ARG A 72 -22.078 2.885 -1.160 1.00 0.00 C ATOM 1059 C ARG A 72 -21.280 2.045 -0.170 1.00 0.00 C ATOM 1060 O ARG A 72 -21.581 0.873 0.038 1.00 0.00 O ATOM 1061 CB ARG A 72 -23.571 2.625 -0.978 1.00 0.00 C ATOM 1062 CG ARG A 72 -24.441 3.430 -1.920 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.670 2.644 -2.333 1.00 0.00 C ATOM 1064 NE ARG A 72 -26.452 3.350 -3.338 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.441 3.053 -4.633 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -25.710 2.033 -5.083 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.165 3.779 -5.476 1.00 0.00 N ATOM 0 H ARG A 72 -22.220 1.824 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.876 3.940 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.769 1.564 -1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.850 2.857 0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -24.745 4.358 -1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.867 3.705 -2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.366 1.674 -2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -26.291 2.454 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 72 -27.045 4.120 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.156 1.477 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -25.705 1.809 -6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.724 4.558 -5.128 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.162 3.558 -6.472 1.00 0.00 H new ATOM 1081 N MET A 73 -20.251 2.637 0.417 1.00 0.00 N ATOM 1082 CA MET A 73 -19.410 1.944 1.385 1.00 0.00 C ATOM 1083 C MET A 73 -20.023 2.027 2.779 1.00 0.00 C ATOM 1084 O MET A 73 -20.459 3.089 3.210 1.00 0.00 O ATOM 1085 CB MET A 73 -17.997 2.538 1.395 1.00 0.00 C ATOM 1086 CG MET A 73 -17.066 1.870 2.395 1.00 0.00 C ATOM 1087 SD MET A 73 -16.861 0.106 2.081 1.00 0.00 S ATOM 1088 CE MET A 73 -16.116 -0.426 3.622 1.00 0.00 C ATOM 0 H MET A 73 -19.976 3.603 0.239 1.00 0.00 H new ATOM 0 HA MET A 73 -19.345 0.896 1.092 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.568 2.451 0.397 1.00 0.00 H new ATOM 0 HB3 MET A 73 -18.060 3.602 1.624 1.00 0.00 H new ATOM 0 HG2 MET A 73 -16.092 2.357 2.360 1.00 0.00 H new ATOM 0 HG3 MET A 73 -17.458 2.013 3.402 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.798 -1.465 3.533 1.00 0.00 H new ATOM 0 HE2 MET A 73 -15.252 0.200 3.844 1.00 0.00 H new ATOM 0 HE3 MET A 73 -16.845 -0.338 4.428 1.00 0.00 H new ATOM 1098 N LEU A 74 -20.047 0.906 3.481 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.620 0.859 4.817 1.00 0.00 C ATOM 1100 C LEU A 74 -19.631 1.381 5.855 1.00 0.00 C ATOM 1101 O LEU A 74 -18.498 0.907 5.942 1.00 0.00 O ATOM 1102 CB LEU A 74 -21.034 -0.573 5.165 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.729 -0.738 6.519 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -23.062 -0.008 6.527 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -21.921 -2.210 6.847 1.00 0.00 C ATOM 0 H LEU A 74 -19.676 0.016 3.148 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.502 1.500 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.700 -0.942 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.146 -1.205 5.151 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.093 -0.298 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.541 -0.137 7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.897 1.053 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.705 -0.417 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.417 -2.306 7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.534 -2.677 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.950 -2.704 6.887 1.00 0.00 H new ATOM 1117 N ALA A 75 -20.061 2.370 6.624 1.00 0.00 N ATOM 1118 CA ALA A 75 -19.229 2.945 7.667 1.00 0.00 C ATOM 1119 C ALA A 75 -19.717 2.479 9.032 1.00 0.00 C ATOM 1120 O ALA A 75 -20.767 1.848 9.132 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.234 4.461 7.570 1.00 0.00 C ATOM 0 H ALA A 75 -20.986 2.792 6.544 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.202 2.606 7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.607 4.878 8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.846 4.765 6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.253 4.830 7.685 1.00 0.00 H new ATOM 1127 N LYS A 76 -18.974 2.815 10.082 1.00 0.00 N ATOM 1128 CA LYS A 76 -19.319 2.402 11.443 1.00 0.00 C ATOM 1129 C LYS A 76 -20.468 3.232 12.020 1.00 0.00 C ATOM 1130 O LYS A 76 -20.276 4.004 12.960 1.00 0.00 O ATOM 1131 CB LYS A 76 -18.091 2.510 12.352 1.00 0.00 C ATOM 1132 CG LYS A 76 -18.229 1.758 13.671 1.00 0.00 C ATOM 1133 CD LYS A 76 -17.150 2.167 14.663 1.00 0.00 C ATOM 1134 CE LYS A 76 -17.306 3.620 15.085 1.00 0.00 C ATOM 1135 NZ LYS A 76 -16.118 4.120 15.826 1.00 0.00 N ATOM 0 H LYS A 76 -18.124 3.375 10.018 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.651 1.365 11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.221 2.129 11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.899 3.562 12.563 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.212 1.952 14.100 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.168 0.685 13.487 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.199 1.524 15.542 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.167 2.020 14.215 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.468 4.238 14.202 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.192 3.722 15.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.224 5.139 16.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.037 3.616 16.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.261 3.955 15.260 1.00 0.00 H new ATOM 1149 N HIS A 77 -21.651 3.073 11.434 1.00 0.00 N ATOM 1150 CA HIS A 77 -22.863 3.771 11.877 1.00 0.00 C ATOM 1151 C HIS A 77 -24.037 3.455 10.953 1.00 0.00 C ATOM 1152 O HIS A 77 -25.021 4.190 10.912 1.00 0.00 O ATOM 1153 CB HIS A 77 -22.667 5.299 11.974 1.00 0.00 C ATOM 1154 CG HIS A 77 -22.170 5.959 10.724 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -20.910 6.202 10.296 1.00 0.00 N flip ATOM 1156 CD2 HIS A 77 -23.005 6.482 9.759 1.00 0.00 C flip ATOM 1157 CE1 HIS A 77 -21.004 6.858 9.097 1.00 0.00 C flip ATOM 1158 NE2 HIS A 77 -22.279 7.014 8.795 1.00 0.00 N flip ATOM 0 H HIS A 77 -21.801 2.456 10.636 1.00 0.00 H new ATOM 0 HA HIS A 77 -23.082 3.406 12.880 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -23.617 5.754 12.253 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.964 5.509 12.781 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -20.048 5.944 10.777 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -24.084 6.459 9.788 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -20.171 7.193 8.497 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.923 2.360 10.205 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.985 1.949 9.298 1.00 0.00 C ATOM 1169 C GLY A 78 -25.114 2.825 8.060 1.00 0.00 C ATOM 1170 O GLY A 78 -25.919 2.534 7.177 1.00 0.00 O ATOM 0 H GLY A 78 -23.109 1.746 10.211 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.805 0.920 8.986 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.933 1.957 9.837 1.00 0.00 H new ATOM 1174 N GLY A 79 -24.323 3.886 7.989 1.00 0.00 N ATOM 1175 CA GLY A 79 -24.385 4.786 6.852 1.00 0.00 C ATOM 1176 C GLY A 79 -23.562 4.298 5.681 1.00 0.00 C ATOM 1177 O GLY A 79 -22.568 3.591 5.867 1.00 0.00 O ATOM 0 H GLY A 79 -23.637 4.141 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.423 4.900 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.032 5.772 7.154 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.969 4.679 4.480 1.00 0.00 N ATOM 1182 CA TYR A 80 -23.275 4.276 3.267 1.00 0.00 C ATOM 1183 C TYR A 80 -22.638 5.480 2.573 1.00 0.00 C ATOM 1184 O TYR A 80 -23.328 6.298 1.971 1.00 0.00 O ATOM 1185 CB TYR A 80 -24.246 3.574 2.317 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.582 2.155 2.722 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -25.656 1.881 3.559 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -23.826 1.090 2.258 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -25.966 0.582 3.921 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -24.128 -0.209 2.614 1.00 0.00 C ATOM 1191 CZ TYR A 80 -25.198 -0.460 3.443 1.00 0.00 C ATOM 1192 OH TYR A 80 -25.501 -1.758 3.790 1.00 0.00 O ATOM 0 H TYR A 80 -24.783 5.272 4.319 1.00 0.00 H new ATOM 0 HA TYR A 80 -22.480 3.584 3.543 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -25.168 4.153 2.262 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.815 3.563 1.316 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -26.259 2.695 3.933 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -22.986 1.280 1.606 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -26.804 0.385 4.574 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -23.527 -1.026 2.243 1.00 0.00 H new ATOM 0 HH TYR A 80 -26.466 -1.839 3.942 1.00 0.00 H new ATOM 1202 N VAL A 81 -21.320 5.581 2.661 1.00 0.00 N ATOM 1203 CA VAL A 81 -20.586 6.683 2.046 1.00 0.00 C ATOM 1204 C VAL A 81 -20.159 6.309 0.633 1.00 0.00 C ATOM 1205 O VAL A 81 -19.683 5.200 0.403 1.00 0.00 O ATOM 1206 CB VAL A 81 -19.322 7.054 2.853 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -18.929 8.502 2.598 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -19.522 6.802 4.341 1.00 0.00 C ATOM 0 H VAL A 81 -20.732 4.910 3.155 1.00 0.00 H new ATOM 0 HA VAL A 81 -21.258 7.541 2.028 1.00 0.00 H new ATOM 0 HB VAL A 81 -18.509 6.412 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.037 8.744 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.723 8.642 1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -19.745 9.159 2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -18.615 7.073 4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -20.354 7.406 4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.741 5.747 4.505 1.00 0.00 H new ATOM 1218 N TRP A 82 -20.321 7.222 -0.310 1.00 0.00 N ATOM 1219 CA TRP A 82 -19.939 6.946 -1.688 1.00 0.00 C ATOM 1220 C TRP A 82 -18.422 6.990 -1.857 1.00 0.00 C ATOM 1221 O TRP A 82 -17.802 8.058 -1.820 1.00 0.00 O ATOM 1222 CB TRP A 82 -20.626 7.919 -2.642 1.00 0.00 C ATOM 1223 CG TRP A 82 -22.036 7.528 -2.956 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -23.092 7.495 -2.090 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -22.544 7.103 -4.226 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -24.225 7.081 -2.746 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.914 6.830 -4.056 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -21.974 6.927 -5.490 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.720 6.394 -5.103 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.776 6.491 -6.527 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -24.135 6.227 -6.328 1.00 0.00 C ATOM 0 H TRP A 82 -20.710 8.152 -0.151 1.00 0.00 H new ATOM 0 HA TRP A 82 -20.270 5.938 -1.936 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -20.620 8.916 -2.202 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -20.055 7.976 -3.569 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -23.043 7.756 -1.043 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -25.149 6.977 -2.326 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.926 7.128 -5.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.771 6.194 -4.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -22.346 6.352 -7.508 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.735 5.884 -7.158 1.00 0.00 H new ATOM 1242 N LEU A 83 -17.837 5.812 -2.043 1.00 0.00 N ATOM 1243 CA LEU A 83 -16.394 5.672 -2.197 1.00 0.00 C ATOM 1244 C LEU A 83 -16.050 4.942 -3.493 1.00 0.00 C ATOM 1245 O LEU A 83 -16.733 3.990 -3.876 1.00 0.00 O ATOM 1246 CB LEU A 83 -15.805 4.895 -1.011 1.00 0.00 C ATOM 1247 CG LEU A 83 -15.310 5.742 0.163 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -16.475 6.332 0.934 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -14.432 4.910 1.084 1.00 0.00 C ATOM 0 H LEU A 83 -18.348 4.930 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.965 6.673 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -16.563 4.204 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.974 4.291 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.716 6.564 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -16.097 6.930 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -17.067 6.964 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -17.100 5.527 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -14.088 5.527 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.006 4.068 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.572 4.537 0.528 1.00 0.00 H new ATOM 1261 N GLU A 84 -14.999 5.399 -4.161 1.00 0.00 N ATOM 1262 CA GLU A 84 -14.538 4.790 -5.406 1.00 0.00 C ATOM 1263 C GLU A 84 -13.286 3.966 -5.122 1.00 0.00 C ATOM 1264 O GLU A 84 -12.354 4.459 -4.493 1.00 0.00 O ATOM 1265 CB GLU A 84 -14.241 5.879 -6.438 1.00 0.00 C ATOM 1266 CG GLU A 84 -14.189 5.377 -7.868 1.00 0.00 C ATOM 1267 CD GLU A 84 -14.654 6.420 -8.860 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -13.815 7.214 -9.328 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -15.864 6.451 -9.176 1.00 0.00 O ATOM 0 H GLU A 84 -14.443 6.199 -3.858 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.313 4.138 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.004 6.654 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.287 6.347 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.169 5.079 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.812 4.487 -7.961 1.00 0.00 H new ATOM 1276 N THR A 85 -13.244 2.727 -5.587 1.00 0.00 N ATOM 1277 CA THR A 85 -12.101 1.872 -5.302 1.00 0.00 C ATOM 1278 C THR A 85 -11.344 1.427 -6.550 1.00 0.00 C ATOM 1279 O THR A 85 -11.926 0.903 -7.502 1.00 0.00 O ATOM 1280 CB THR A 85 -12.545 0.624 -4.523 1.00 0.00 C ATOM 1281 OG1 THR A 85 -13.471 0.998 -3.499 1.00 0.00 O ATOM 1282 CG2 THR A 85 -11.351 -0.080 -3.896 1.00 0.00 C ATOM 0 H THR A 85 -13.974 2.296 -6.154 1.00 0.00 H new ATOM 0 HA THR A 85 -11.421 2.480 -4.706 1.00 0.00 H new ATOM 0 HB THR A 85 -13.024 -0.062 -5.221 1.00 0.00 H new ATOM 0 HG1 THR A 85 -13.258 1.900 -3.179 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.693 -0.960 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.656 -0.385 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.847 0.600 -3.209 1.00 0.00 H new ATOM 1290 N GLN A 86 -10.036 1.639 -6.524 1.00 0.00 N ATOM 1291 CA GLN A 86 -9.168 1.223 -7.608 1.00 0.00 C ATOM 1292 C GLN A 86 -8.319 0.052 -7.128 1.00 0.00 C ATOM 1293 O GLN A 86 -7.324 0.242 -6.423 1.00 0.00 O ATOM 1294 CB GLN A 86 -8.269 2.371 -8.071 1.00 0.00 C ATOM 1295 CG GLN A 86 -7.418 2.016 -9.279 1.00 0.00 C ATOM 1296 CD GLN A 86 -6.448 3.115 -9.656 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -6.779 4.009 -10.433 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -5.241 3.052 -9.116 1.00 0.00 N ATOM 0 H GLN A 86 -9.552 2.102 -5.754 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.779 0.922 -8.459 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.889 3.234 -8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.617 2.667 -7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.862 1.102 -9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.069 1.806 -10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.008 2.293 -8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.544 3.763 -9.340 1.00 0.00 H new ATOM 1307 N GLY A 87 -8.732 -1.152 -7.487 1.00 0.00 N ATOM 1308 CA GLY A 87 -8.020 -2.341 -7.072 1.00 0.00 C ATOM 1309 C GLY A 87 -6.806 -2.613 -7.928 1.00 0.00 C ATOM 1310 O GLY A 87 -6.925 -3.121 -9.041 1.00 0.00 O ATOM 0 H GLY A 87 -9.555 -1.328 -8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.711 -2.232 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.692 -3.198 -7.117 1.00 0.00 H new ATOM 1314 N THR A 88 -5.640 -2.265 -7.412 1.00 0.00 N ATOM 1315 CA THR A 88 -4.392 -2.473 -8.121 1.00 0.00 C ATOM 1316 C THR A 88 -3.557 -3.535 -7.413 1.00 0.00 C ATOM 1317 O THR A 88 -2.857 -3.243 -6.443 1.00 0.00 O ATOM 1318 CB THR A 88 -3.593 -1.159 -8.214 1.00 0.00 C ATOM 1319 OG1 THR A 88 -4.490 -0.072 -8.480 1.00 0.00 O ATOM 1320 CG2 THR A 88 -2.537 -1.233 -9.310 1.00 0.00 C ATOM 0 H THR A 88 -5.533 -1.833 -6.494 1.00 0.00 H new ATOM 0 HA THR A 88 -4.624 -2.812 -9.130 1.00 0.00 H new ATOM 0 HB THR A 88 -3.085 -0.997 -7.263 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.022 0.620 -8.992 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.989 -0.291 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.844 -2.046 -9.094 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.021 -1.414 -10.270 1.00 0.00 H new ATOM 1328 N VAL A 89 -3.657 -4.771 -7.877 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.909 -5.862 -7.278 1.00 0.00 C ATOM 1330 C VAL A 89 -1.431 -5.733 -7.605 1.00 0.00 C ATOM 1331 O VAL A 89 -1.036 -5.775 -8.769 1.00 0.00 O ATOM 1332 CB VAL A 89 -3.415 -7.241 -7.750 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.770 -8.351 -6.937 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.929 -7.323 -7.654 1.00 0.00 C ATOM 0 H VAL A 89 -4.247 -5.042 -8.664 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.059 -5.796 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.133 -7.367 -8.795 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.138 -9.317 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.688 -8.310 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.021 -8.223 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.262 -8.304 -7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.237 -7.172 -6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.376 -6.552 -8.282 1.00 0.00 H new ATOM 1344 N ILE A 90 -0.621 -5.563 -6.571 1.00 0.00 N ATOM 1345 CA ILE A 90 0.812 -5.425 -6.744 1.00 0.00 C ATOM 1346 C ILE A 90 1.418 -6.768 -7.118 1.00 0.00 C ATOM 1347 O ILE A 90 1.304 -7.745 -6.369 1.00 0.00 O ATOM 1348 CB ILE A 90 1.502 -4.899 -5.467 1.00 0.00 C ATOM 1349 CG1 ILE A 90 0.659 -3.803 -4.810 1.00 0.00 C ATOM 1350 CG2 ILE A 90 2.893 -4.370 -5.798 1.00 0.00 C ATOM 1351 CD1 ILE A 90 1.097 -3.463 -3.402 1.00 0.00 C ATOM 0 H ILE A 90 -0.935 -5.518 -5.602 1.00 0.00 H new ATOM 0 HA ILE A 90 0.974 -4.699 -7.541 1.00 0.00 H new ATOM 0 HB ILE A 90 1.600 -5.726 -4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.706 -2.903 -5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.383 -4.121 -4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.368 -4.002 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.496 -5.172 -6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.811 -3.557 -6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.455 -2.679 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.023 -4.351 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.129 -3.114 -3.416 1.00 0.00 H new ATOM 1363 N TYR A 91 2.026 -6.825 -8.291 1.00 0.00 N ATOM 1364 CA TYR A 91 2.654 -8.044 -8.754 1.00 0.00 C ATOM 1365 C TYR A 91 4.011 -8.204 -8.096 1.00 0.00 C ATOM 1366 O TYR A 91 4.971 -7.521 -8.461 1.00 0.00 O ATOM 1367 CB TYR A 91 2.783 -8.043 -10.279 1.00 0.00 C ATOM 1368 CG TYR A 91 1.486 -8.360 -10.990 1.00 0.00 C ATOM 1369 CD1 TYR A 91 0.543 -7.369 -11.232 1.00 0.00 C ATOM 1370 CD2 TYR A 91 1.203 -9.651 -11.413 1.00 0.00 C ATOM 1371 CE1 TYR A 91 -0.645 -7.658 -11.875 1.00 0.00 C ATOM 1372 CE2 TYR A 91 0.018 -9.947 -12.059 1.00 0.00 C ATOM 1373 CZ TYR A 91 -0.903 -8.949 -12.287 1.00 0.00 C ATOM 1374 OH TYR A 91 -2.087 -9.240 -12.927 1.00 0.00 O ATOM 0 H TYR A 91 2.096 -6.039 -8.938 1.00 0.00 H new ATOM 0 HA TYR A 91 2.028 -8.891 -8.475 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.139 -7.066 -10.606 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.538 -8.772 -10.573 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.742 -6.357 -10.912 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.921 -10.438 -11.234 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.369 -6.877 -12.054 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.185 -10.957 -12.384 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.112 -10.194 -13.152 1.00 0.00 H new ATOM 1384 N ASN A 92 4.054 -9.083 -7.099 1.00 0.00 N ATOM 1385 CA ASN A 92 5.268 -9.377 -6.340 1.00 0.00 C ATOM 1386 C ASN A 92 6.434 -9.650 -7.283 1.00 0.00 C ATOM 1387 O ASN A 92 6.445 -10.660 -7.973 1.00 0.00 O ATOM 1388 CB ASN A 92 5.015 -10.589 -5.437 1.00 0.00 C ATOM 1389 CG ASN A 92 6.257 -11.068 -4.713 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.002 -11.902 -5.223 1.00 0.00 O ATOM 1391 ND2 ASN A 92 6.487 -10.549 -3.520 1.00 0.00 N ATOM 0 H ASN A 92 3.241 -9.616 -6.792 1.00 0.00 H new ATOM 0 HA ASN A 92 5.527 -8.515 -5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.251 -10.333 -4.703 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.617 -11.405 -6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.307 -10.838 -2.988 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.844 -9.859 -3.131 1.00 0.00 H new ATOM 1398 N PRO A 93 7.433 -8.755 -7.314 1.00 0.00 N ATOM 1399 CA PRO A 93 8.592 -8.882 -8.211 1.00 0.00 C ATOM 1400 C PRO A 93 9.502 -10.070 -7.893 1.00 0.00 C ATOM 1401 O PRO A 93 10.393 -10.401 -8.674 1.00 0.00 O ATOM 1402 CB PRO A 93 9.348 -7.568 -8.009 1.00 0.00 C ATOM 1403 CG PRO A 93 8.919 -7.070 -6.672 1.00 0.00 C ATOM 1404 CD PRO A 93 7.506 -7.541 -6.480 1.00 0.00 C ATOM 0 HA PRO A 93 8.267 -9.064 -9.235 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.426 -7.725 -8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.106 -6.850 -8.793 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.568 -7.457 -5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.976 -5.982 -6.626 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.294 -7.759 -5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.785 -6.789 -6.801 1.00 0.00 H new ATOM 1412 N ARG A 94 9.280 -10.716 -6.756 1.00 0.00 N ATOM 1413 CA ARG A 94 10.097 -11.861 -6.370 1.00 0.00 C ATOM 1414 C ARG A 94 9.646 -13.119 -7.114 1.00 0.00 C ATOM 1415 O ARG A 94 10.463 -13.964 -7.473 1.00 0.00 O ATOM 1416 CB ARG A 94 10.028 -12.085 -4.854 1.00 0.00 C ATOM 1417 CG ARG A 94 10.994 -13.144 -4.342 1.00 0.00 C ATOM 1418 CD ARG A 94 10.727 -13.482 -2.885 1.00 0.00 C ATOM 1419 NE ARG A 94 11.864 -13.156 -2.027 1.00 0.00 N ATOM 1420 CZ ARG A 94 12.221 -13.877 -0.965 1.00 0.00 C ATOM 1421 NH1 ARG A 94 11.524 -14.953 -0.624 1.00 0.00 N ATOM 1422 NH2 ARG A 94 13.269 -13.517 -0.237 1.00 0.00 N ATOM 0 H ARG A 94 8.548 -10.470 -6.089 1.00 0.00 H new ATOM 0 HA ARG A 94 11.131 -11.650 -6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.236 -11.142 -4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.012 -12.374 -4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.903 -14.045 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.018 -12.788 -4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.847 -12.937 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.499 -14.544 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 94 12.416 -12.329 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.712 -15.231 -1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.800 -15.503 0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.804 -12.686 -0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.540 -14.071 0.576 1.00 0.00 H new ATOM 1436 N ASN A 95 8.343 -13.237 -7.345 1.00 0.00 N ATOM 1437 CA ASN A 95 7.797 -14.399 -8.046 1.00 0.00 C ATOM 1438 C ASN A 95 7.087 -13.988 -9.338 1.00 0.00 C ATOM 1439 O ASN A 95 6.722 -14.835 -10.154 1.00 0.00 O ATOM 1440 CB ASN A 95 6.828 -15.154 -7.132 1.00 0.00 C ATOM 1441 CG ASN A 95 6.501 -16.544 -7.650 1.00 0.00 C ATOM 1442 OD1 ASN A 95 5.524 -16.739 -8.371 1.00 0.00 O ATOM 1443 ND2 ASN A 95 7.316 -17.519 -7.282 1.00 0.00 N ATOM 0 H ASN A 95 7.647 -12.548 -7.060 1.00 0.00 H new ATOM 0 HA ASN A 95 8.627 -15.053 -8.312 1.00 0.00 H new ATOM 0 HB2 ASN A 95 7.262 -15.234 -6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.906 -14.581 -7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.144 -18.474 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 95 8.116 -17.316 -6.683 1.00 0.00 H new ATOM 1450 N LEU A 96 6.902 -12.682 -9.512 1.00 0.00 N ATOM 1451 CA LEU A 96 6.237 -12.120 -10.690 1.00 0.00 C ATOM 1452 C LEU A 96 4.766 -12.528 -10.733 1.00 0.00 C ATOM 1453 O LEU A 96 4.189 -12.724 -11.805 1.00 0.00 O ATOM 1454 CB LEU A 96 6.952 -12.540 -11.982 1.00 0.00 C ATOM 1455 CG LEU A 96 7.830 -11.460 -12.621 1.00 0.00 C ATOM 1456 CD1 LEU A 96 6.993 -10.250 -13.010 1.00 0.00 C ATOM 1457 CD2 LEU A 96 8.950 -11.051 -11.677 1.00 0.00 C ATOM 0 H LEU A 96 7.209 -11.979 -8.839 1.00 0.00 H new ATOM 0 HA LEU A 96 6.288 -11.034 -10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.572 -13.411 -11.769 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.202 -12.853 -12.708 1.00 0.00 H new ATOM 0 HG LEU A 96 8.277 -11.875 -13.525 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.635 -9.494 -13.462 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.228 -10.552 -13.725 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.516 -9.837 -12.121 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.562 -10.283 -12.150 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.523 -10.658 -10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.569 -11.919 -11.449 1.00 0.00 H new ATOM 1469 N GLN A 97 4.157 -12.634 -9.559 1.00 0.00 N ATOM 1470 CA GLN A 97 2.757 -13.018 -9.458 1.00 0.00 C ATOM 1471 C GLN A 97 1.995 -12.037 -8.568 1.00 0.00 C ATOM 1472 O GLN A 97 2.592 -11.370 -7.722 1.00 0.00 O ATOM 1473 CB GLN A 97 2.634 -14.439 -8.893 1.00 0.00 C ATOM 1474 CG GLN A 97 2.975 -14.541 -7.414 1.00 0.00 C ATOM 1475 CD GLN A 97 2.174 -15.613 -6.703 1.00 0.00 C ATOM 1476 OE1 GLN A 97 2.596 -16.764 -6.611 1.00 0.00 O ATOM 1477 NE2 GLN A 97 1.008 -15.246 -6.194 1.00 0.00 N ATOM 0 H GLN A 97 4.612 -12.459 -8.663 1.00 0.00 H new ATOM 0 HA GLN A 97 2.322 -12.995 -10.457 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.615 -14.795 -9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.292 -15.102 -9.455 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.038 -14.754 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.792 -13.579 -6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.691 -14.281 -6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.427 -15.928 -5.706 1.00 0.00 H new ATOM 1486 N PRO A 98 0.672 -11.925 -8.752 1.00 0.00 N ATOM 1487 CA PRO A 98 -0.161 -11.032 -7.947 1.00 0.00 C ATOM 1488 C PRO A 98 -0.328 -11.555 -6.521 1.00 0.00 C ATOM 1489 O PRO A 98 -0.449 -12.764 -6.310 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.502 -11.043 -8.685 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.539 -12.357 -9.382 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.115 -12.658 -9.760 1.00 0.00 C ATOM 0 HA PRO A 98 0.270 -10.036 -7.844 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.336 -10.939 -7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.571 -10.217 -9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -1.944 -13.133 -8.733 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.178 -12.314 -10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.091 -13.728 -9.729 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.112 -12.319 -10.771 1.00 0.00 H new ATOM 1500 N GLN A 99 -0.324 -10.653 -5.546 1.00 0.00 N ATOM 1501 CA GLN A 99 -0.474 -11.050 -4.152 1.00 0.00 C ATOM 1502 C GLN A 99 -1.160 -9.951 -3.342 1.00 0.00 C ATOM 1503 O GLN A 99 -2.320 -10.091 -2.954 1.00 0.00 O ATOM 1504 CB GLN A 99 0.893 -11.388 -3.548 1.00 0.00 C ATOM 1505 CG GLN A 99 0.825 -11.916 -2.123 1.00 0.00 C ATOM 1506 CD GLN A 99 1.633 -11.069 -1.163 1.00 0.00 C ATOM 1507 OE1 GLN A 99 1.320 -10.977 0.027 1.00 0.00 O ATOM 1508 NE2 GLN A 99 2.679 -10.445 -1.677 1.00 0.00 N ATOM 0 H GLN A 99 -0.219 -9.649 -5.694 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.104 -11.939 -4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.383 -12.131 -4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.517 -10.495 -3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.214 -11.943 -1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.193 -12.942 -2.099 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.900 -10.550 -2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.265 -9.858 -1.083 1.00 0.00 H new ATOM 1517 N CYS A 100 -0.445 -8.860 -3.096 1.00 0.00 N ATOM 1518 CA CYS A 100 -0.993 -7.750 -2.333 1.00 0.00 C ATOM 1519 C CYS A 100 -1.942 -6.921 -3.189 1.00 0.00 C ATOM 1520 O CYS A 100 -1.512 -6.158 -4.054 1.00 0.00 O ATOM 1521 CB CYS A 100 0.130 -6.865 -1.785 1.00 0.00 C ATOM 1522 SG CYS A 100 0.990 -7.567 -0.358 1.00 0.00 S ATOM 0 H CYS A 100 0.514 -8.722 -3.414 1.00 0.00 H new ATOM 0 HA CYS A 100 -1.554 -8.163 -1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 100 0.854 -6.682 -2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -0.287 -5.898 -1.505 1.00 0.00 H new ATOM 0 HG CYS A 100 2.092 -8.133 -0.751 1.00 0.00 H new ATOM 1528 N ILE A 101 -3.234 -7.081 -2.951 1.00 0.00 N ATOM 1529 CA ILE A 101 -4.242 -6.343 -3.691 1.00 0.00 C ATOM 1530 C ILE A 101 -4.402 -4.946 -3.103 1.00 0.00 C ATOM 1531 O ILE A 101 -5.227 -4.720 -2.214 1.00 0.00 O ATOM 1532 CB ILE A 101 -5.606 -7.064 -3.672 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -5.441 -8.535 -4.062 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -6.581 -6.372 -4.608 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -6.698 -9.355 -3.866 1.00 0.00 C ATOM 0 H ILE A 101 -3.609 -7.718 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.906 -6.276 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.007 -7.021 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.137 -8.594 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.636 -8.971 -3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.539 -6.891 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.720 -5.339 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.184 -6.388 -5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.509 -10.387 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.991 -9.326 -2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.500 -8.943 -4.478 1.00 0.00 H new ATOM 1547 N MET A 102 -3.596 -4.022 -3.593 1.00 0.00 N ATOM 1548 CA MET A 102 -3.630 -2.646 -3.127 1.00 0.00 C ATOM 1549 C MET A 102 -4.837 -1.919 -3.712 1.00 0.00 C ATOM 1550 O MET A 102 -4.862 -1.576 -4.891 1.00 0.00 O ATOM 1551 CB MET A 102 -2.329 -1.936 -3.511 1.00 0.00 C ATOM 1552 CG MET A 102 -2.343 -0.435 -3.279 1.00 0.00 C ATOM 1553 SD MET A 102 -0.714 0.311 -3.482 1.00 0.00 S ATOM 1554 CE MET A 102 -0.321 -0.180 -5.161 1.00 0.00 C ATOM 0 H MET A 102 -2.904 -4.201 -4.320 1.00 0.00 H new ATOM 0 HA MET A 102 -3.723 -2.638 -2.041 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.509 -2.372 -2.941 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.122 -2.127 -4.564 1.00 0.00 H new ATOM 0 HG2 MET A 102 -3.041 0.030 -3.975 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.710 -0.230 -2.274 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.675 0.177 -5.421 1.00 0.00 H new ATOM 0 HE2 MET A 102 -0.348 -1.267 -5.238 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.051 0.251 -5.846 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.847 -1.702 -2.890 1.00 0.00 N ATOM 1565 CA CYS A 103 -7.049 -1.028 -3.341 1.00 0.00 C ATOM 1566 C CYS A 103 -7.145 0.367 -2.746 1.00 0.00 C ATOM 1567 O CYS A 103 -7.229 0.533 -1.524 1.00 0.00 O ATOM 1568 CB CYS A 103 -8.282 -1.845 -2.965 1.00 0.00 C ATOM 1569 SG CYS A 103 -8.182 -3.584 -3.451 1.00 0.00 S ATOM 0 H CYS A 103 -5.859 -1.982 -1.909 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.001 -0.934 -4.426 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.430 -1.787 -1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.159 -1.397 -3.432 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.170 -4.143 -2.857 1.00 0.00 H new ATOM 1575 N VAL A 104 -7.115 1.366 -3.613 1.00 0.00 N ATOM 1576 CA VAL A 104 -7.218 2.750 -3.186 1.00 0.00 C ATOM 1577 C VAL A 104 -8.682 3.160 -3.156 1.00 0.00 C ATOM 1578 O VAL A 104 -9.365 3.090 -4.178 1.00 0.00 O ATOM 1579 CB VAL A 104 -6.452 3.704 -4.128 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -6.256 5.059 -3.471 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -5.113 3.111 -4.543 1.00 0.00 C ATOM 0 H VAL A 104 -7.020 1.242 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.774 2.824 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 104 -7.051 3.839 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.714 5.718 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.228 5.495 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.685 4.938 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.597 3.806 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.503 2.934 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.278 2.168 -5.064 1.00 0.00 H new ATOM 1591 N ASN A 105 -9.166 3.569 -1.995 1.00 0.00 N ATOM 1592 CA ASN A 105 -10.558 3.978 -1.864 1.00 0.00 C ATOM 1593 C ASN A 105 -10.656 5.492 -1.752 1.00 0.00 C ATOM 1594 O ASN A 105 -10.174 6.090 -0.789 1.00 0.00 O ATOM 1595 CB ASN A 105 -11.211 3.306 -0.657 1.00 0.00 C ATOM 1596 CG ASN A 105 -12.576 2.733 -0.987 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -13.255 3.193 -1.902 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -12.988 1.718 -0.239 1.00 0.00 N ATOM 0 H ASN A 105 -8.622 3.627 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 105 -11.094 3.660 -2.758 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -10.563 2.509 -0.293 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -11.309 4.031 0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.898 1.291 -0.415 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.395 1.364 0.512 1.00 0.00 H new ATOM 1605 N TYR A 106 -11.275 6.101 -2.752 1.00 0.00 N ATOM 1606 CA TYR A 106 -11.427 7.545 -2.809 1.00 0.00 C ATOM 1607 C TYR A 106 -12.784 7.993 -2.272 1.00 0.00 C ATOM 1608 O TYR A 106 -13.827 7.643 -2.828 1.00 0.00 O ATOM 1609 CB TYR A 106 -11.278 8.034 -4.254 1.00 0.00 C ATOM 1610 CG TYR A 106 -9.939 7.721 -4.889 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.840 8.538 -4.666 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -9.777 6.621 -5.726 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -7.619 8.272 -5.253 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -8.556 6.346 -6.315 1.00 0.00 C ATOM 1615 CZ TYR A 106 -7.482 7.176 -6.076 1.00 0.00 C ATOM 1616 OH TYR A 106 -6.266 6.914 -6.665 1.00 0.00 O ATOM 0 H TYR A 106 -11.685 5.608 -3.545 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.647 7.978 -2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -12.066 7.586 -4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -11.433 9.113 -4.277 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.942 9.398 -4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.618 5.972 -5.919 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -6.775 8.920 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.445 5.486 -6.958 1.00 0.00 H new ATOM 0 HH TYR A 106 -6.336 6.105 -7.214 1.00 0.00 H new ATOM 1626 N VAL A 107 -12.763 8.759 -1.189 1.00 0.00 N ATOM 1627 CA VAL A 107 -13.986 9.291 -0.605 1.00 0.00 C ATOM 1628 C VAL A 107 -14.324 10.600 -1.304 1.00 0.00 C ATOM 1629 O VAL A 107 -13.519 11.532 -1.293 1.00 0.00 O ATOM 1630 CB VAL A 107 -13.841 9.545 0.912 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -15.165 9.988 1.516 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -13.319 8.304 1.618 1.00 0.00 C ATOM 0 H VAL A 107 -11.910 9.026 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 107 -14.780 8.556 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.118 10.348 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -15.038 10.161 2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -15.494 10.910 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -15.914 9.211 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.224 8.505 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -14.014 7.479 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.344 8.037 1.211 1.00 0.00 H new ATOM 1642 N LEU A 108 -15.495 10.681 -1.919 1.00 0.00 N ATOM 1643 CA LEU A 108 -15.866 11.892 -2.640 1.00 0.00 C ATOM 1644 C LEU A 108 -17.237 12.423 -2.234 1.00 0.00 C ATOM 1645 O LEU A 108 -17.346 13.535 -1.721 1.00 0.00 O ATOM 1646 CB LEU A 108 -15.835 11.642 -4.152 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.440 11.488 -4.759 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.539 11.101 -6.228 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.649 12.776 -4.595 1.00 0.00 C ATOM 0 H LEU A 108 -16.194 9.938 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.131 12.652 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.408 10.740 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.341 12.468 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.915 10.692 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.537 10.995 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -15.072 10.155 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.079 11.876 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.658 12.652 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.169 13.589 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.552 13.011 -3.535 1.00 0.00 H new ATOM 1661 N SER A 109 -18.276 11.633 -2.464 1.00 0.00 N ATOM 1662 CA SER A 109 -19.637 12.055 -2.154 1.00 0.00 C ATOM 1663 C SER A 109 -19.949 11.969 -0.658 1.00 0.00 C ATOM 1664 O SER A 109 -19.079 11.665 0.161 1.00 0.00 O ATOM 1665 CB SER A 109 -20.625 11.222 -2.965 1.00 0.00 C ATOM 1666 OG SER A 109 -20.210 11.131 -4.319 1.00 0.00 O ATOM 0 H SER A 109 -18.204 10.697 -2.864 1.00 0.00 H new ATOM 0 HA SER A 109 -19.733 13.105 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.705 10.223 -2.536 1.00 0.00 H new ATOM 0 HB3 SER A 109 -21.617 11.672 -2.913 1.00 0.00 H new ATOM 0 HG SER A 109 -20.855 10.592 -4.823 1.00 0.00 H new ATOM 1672 N GLU A 110 -21.202 12.239 -0.317 1.00 0.00 N ATOM 1673 CA GLU A 110 -21.650 12.236 1.068 1.00 0.00 C ATOM 1674 C GLU A 110 -22.036 10.838 1.534 1.00 0.00 C ATOM 1675 O GLU A 110 -21.799 9.845 0.841 1.00 0.00 O ATOM 1676 CB GLU A 110 -22.839 13.191 1.242 1.00 0.00 C ATOM 1677 CG GLU A 110 -24.066 12.816 0.421 1.00 0.00 C ATOM 1678 CD GLU A 110 -23.922 13.178 -1.043 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -24.214 14.333 -1.404 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -23.491 12.316 -1.836 1.00 0.00 O ATOM 0 H GLU A 110 -21.934 12.465 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 110 -20.817 12.575 1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -23.116 13.220 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -22.525 14.198 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -24.244 11.744 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -24.941 13.320 0.831 1.00 0.00 H new ATOM 1687 N ILE A 111 -22.630 10.778 2.718 1.00 0.00 N ATOM 1688 CA ILE A 111 -23.057 9.522 3.306 1.00 0.00 C ATOM 1689 C ILE A 111 -24.570 9.377 3.206 1.00 0.00 C ATOM 1690 O ILE A 111 -25.312 10.331 3.451 1.00 0.00 O ATOM 1691 CB ILE A 111 -22.647 9.436 4.792 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -21.206 9.925 4.980 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -22.807 8.012 5.308 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -20.760 9.966 6.426 1.00 0.00 C ATOM 0 H ILE A 111 -22.827 11.597 3.294 1.00 0.00 H new ATOM 0 HA ILE A 111 -22.570 8.719 2.753 1.00 0.00 H new ATOM 0 HB ILE A 111 -23.305 10.084 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -20.535 9.273 4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -21.112 10.923 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -22.514 7.970 6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -23.848 7.704 5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -22.174 7.341 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -19.731 10.322 6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -21.407 10.641 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -20.821 8.965 6.854 1.00 0.00 H new ATOM 1706 N GLU A 112 -25.018 8.199 2.823 1.00 0.00 N ATOM 1707 CA GLU A 112 -26.436 7.922 2.709 1.00 0.00 C ATOM 1708 C GLU A 112 -26.904 7.136 3.926 1.00 0.00 C ATOM 1709 O GLU A 112 -26.264 6.117 4.254 1.00 0.00 O ATOM 1710 CB GLU A 112 -26.730 7.137 1.428 1.00 0.00 C ATOM 1711 CG GLU A 112 -26.526 7.941 0.155 1.00 0.00 C ATOM 1712 CD GLU A 112 -27.339 7.392 -0.999 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -28.575 7.567 -0.995 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -26.755 6.760 -1.904 1.00 0.00 O ATOM 1715 OXT GLU A 112 -27.907 7.539 4.549 1.00 0.00 O ATOM 0 H GLU A 112 -24.415 7.412 2.584 1.00 0.00 H new ATOM 0 HA GLU A 112 -26.976 8.867 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -26.088 6.257 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -27.759 6.780 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -26.805 8.979 0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -25.469 7.936 -0.111 1.00 0.00 H new ATOM 1723 N CYS B 7 4.854 -16.425 9.868 1.00 1.33 N ATOM 1724 CA CYS B 7 5.873 -16.268 8.811 1.00 1.38 C ATOM 1725 C CYS B 7 5.462 -15.177 7.832 1.00 1.15 C ATOM 1726 O CYS B 7 4.621 -15.397 6.958 1.00 1.28 O ATOM 1727 CB CYS B 7 6.058 -17.587 8.061 1.00 1.79 C ATOM 1728 SG CYS B 7 6.383 -19.008 9.128 1.00 2.58 S ATOM 0 HA CYS B 7 6.815 -15.984 9.280 1.00 1.38 H new ATOM 0 HB2 CYS B 7 5.162 -17.786 7.473 1.00 1.79 H new ATOM 0 HB3 CYS B 7 6.884 -17.479 7.358 1.00 1.79 H new ATOM 0 HG CYS B 7 6.522 -20.075 8.399 1.00 2.58 H new ATOM 1736 N GLN B 8 6.041 -13.997 7.991 1.00 0.90 N ATOM 1737 CA GLN B 8 5.738 -12.880 7.113 1.00 0.76 C ATOM 1738 C GLN B 8 6.618 -12.932 5.867 1.00 0.65 C ATOM 1739 O GLN B 8 7.799 -13.279 5.951 1.00 0.64 O ATOM 1740 CB GLN B 8 5.927 -11.551 7.847 1.00 0.71 C ATOM 1741 CG GLN B 8 4.853 -11.268 8.890 1.00 0.89 C ATOM 1742 CD GLN B 8 3.446 -11.373 8.329 1.00 1.17 C ATOM 1743 OE1 GLN B 8 2.919 -10.420 7.756 1.00 1.79 O ATOM 1744 NE2 GLN B 8 2.818 -12.524 8.513 1.00 1.90 N ATOM 0 H GLN B 8 6.723 -13.789 8.720 1.00 0.90 H new ATOM 0 HA GLN B 8 4.695 -12.955 6.806 1.00 0.76 H new ATOM 0 HB2 GLN B 8 6.902 -11.551 8.334 1.00 0.71 H new ATOM 0 HB3 GLN B 8 5.934 -10.741 7.117 1.00 0.71 H new ATOM 0 HG2 GLN B 8 4.963 -11.969 9.717 1.00 0.89 H new ATOM 0 HG3 GLN B 8 5.003 -10.268 9.297 1.00 0.89 H new ATOM 0 HE21 GLN B 8 3.289 -13.291 8.993 1.00 1.90 H new ATOM 0 HE22 GLN B 8 1.863 -12.644 8.175 1.00 1.90 H new ATOM 1753 N PRO B 9 6.042 -12.624 4.694 1.00 0.64 N ATOM 1754 CA PRO B 9 6.769 -12.633 3.420 1.00 0.56 C ATOM 1755 C PRO B 9 7.884 -11.592 3.379 1.00 0.44 C ATOM 1756 O PRO B 9 7.868 -10.617 4.133 1.00 0.38 O ATOM 1757 CB PRO B 9 5.693 -12.299 2.375 1.00 0.61 C ATOM 1758 CG PRO B 9 4.391 -12.537 3.061 1.00 0.75 C ATOM 1759 CD PRO B 9 4.632 -12.249 4.514 1.00 0.77 C ATOM 0 HA PRO B 9 7.261 -13.591 3.249 1.00 0.56 H new ATOM 0 HB2 PRO B 9 5.778 -11.265 2.040 1.00 0.61 H new ATOM 0 HB3 PRO B 9 5.793 -12.930 1.492 1.00 0.61 H new ATOM 0 HG2 PRO B 9 3.613 -11.888 2.658 1.00 0.75 H new ATOM 0 HG3 PRO B 9 4.056 -13.564 2.917 1.00 0.75 H new ATOM 0 HD2 PRO B 9 4.460 -11.199 4.752 1.00 0.77 H new ATOM 0 HD3 PRO B 9 3.973 -12.834 5.156 1.00 0.77 H new ATOM 1767 N THR B 10 8.834 -11.794 2.477 1.00 0.43 N ATOM 1768 CA THR B 10 9.966 -10.889 2.318 1.00 0.37 C ATOM 1769 C THR B 10 9.578 -9.712 1.423 1.00 0.31 C ATOM 1770 O THR B 10 10.315 -9.318 0.513 1.00 0.39 O ATOM 1771 CB THR B 10 11.168 -11.640 1.715 1.00 0.46 C ATOM 1772 OG1 THR B 10 11.018 -13.047 1.953 1.00 0.88 O ATOM 1773 CG2 THR B 10 12.473 -11.163 2.329 1.00 0.62 C ATOM 0 H THR B 10 8.843 -12.587 1.836 1.00 0.43 H new ATOM 0 HA THR B 10 10.248 -10.507 3.299 1.00 0.37 H new ATOM 0 HB THR B 10 11.197 -11.441 0.644 1.00 0.46 H new ATOM 0 HG1 THR B 10 11.903 -13.462 2.027 1.00 0.88 H new ATOM 0 HG21 THR B 10 13.305 -11.710 1.885 1.00 0.62 H new ATOM 0 HG22 THR B 10 12.596 -10.097 2.139 1.00 0.62 H new ATOM 0 HG23 THR B 10 12.455 -11.340 3.404 1.00 0.62 H new ATOM 1781 N GLU B 11 8.408 -9.162 1.706 1.00 0.30 N ATOM 1782 CA GLU B 11 7.856 -8.048 0.960 1.00 0.31 C ATOM 1783 C GLU B 11 6.962 -7.229 1.880 1.00 0.27 C ATOM 1784 O GLU B 11 5.888 -7.682 2.273 1.00 0.31 O ATOM 1785 CB GLU B 11 7.057 -8.581 -0.237 1.00 0.45 C ATOM 1786 CG GLU B 11 6.120 -7.565 -0.871 1.00 1.13 C ATOM 1787 CD GLU B 11 4.856 -8.210 -1.402 1.00 1.36 C ATOM 1788 OE1 GLU B 11 4.867 -8.693 -2.551 1.00 1.83 O ATOM 1789 OE2 GLU B 11 3.850 -8.254 -0.659 1.00 1.65 O ATOM 0 H GLU B 11 7.811 -9.481 2.468 1.00 0.30 H new ATOM 0 HA GLU B 11 8.658 -7.411 0.586 1.00 0.31 H new ATOM 0 HB2 GLU B 11 7.755 -8.935 -0.995 1.00 0.45 H new ATOM 0 HB3 GLU B 11 6.473 -9.443 0.086 1.00 0.45 H new ATOM 0 HG2 GLU B 11 5.857 -6.806 -0.134 1.00 1.13 H new ATOM 0 HG3 GLU B 11 6.636 -7.055 -1.685 1.00 1.13 H new ATOM 1796 N PHE B 12 7.412 -6.045 2.254 1.00 0.30 N ATOM 1797 CA PHE B 12 6.630 -5.203 3.141 1.00 0.30 C ATOM 1798 C PHE B 12 6.161 -3.937 2.434 1.00 0.27 C ATOM 1799 O PHE B 12 6.955 -3.191 1.859 1.00 0.33 O ATOM 1800 CB PHE B 12 7.406 -4.873 4.430 1.00 0.35 C ATOM 1801 CG PHE B 12 8.733 -4.186 4.236 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.867 -4.911 3.907 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.848 -2.816 4.408 1.00 0.42 C ATOM 1804 CE1 PHE B 12 11.088 -4.284 3.753 1.00 0.42 C ATOM 1805 CE2 PHE B 12 10.067 -2.183 4.259 1.00 0.45 C ATOM 1806 CZ PHE B 12 11.188 -2.917 3.929 1.00 0.40 C ATOM 0 H PHE B 12 8.305 -5.648 1.961 1.00 0.30 H new ATOM 0 HA PHE B 12 5.742 -5.765 3.429 1.00 0.30 H new ATOM 0 HB2 PHE B 12 6.779 -4.241 5.058 1.00 0.35 H new ATOM 0 HB3 PHE B 12 7.574 -5.800 4.978 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.795 -5.980 3.769 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.973 -2.235 4.662 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.964 -4.861 3.495 1.00 0.42 H new ATOM 0 HE2 PHE B 12 10.142 -1.115 4.401 1.00 0.45 H new ATOM 0 HZ PHE B 12 12.141 -2.424 3.809 1.00 0.40 H new ATOM 1816 N ILE B 13 4.852 -3.723 2.462 1.00 0.27 N ATOM 1817 CA ILE B 13 4.244 -2.555 1.841 1.00 0.27 C ATOM 1818 C ILE B 13 4.052 -1.472 2.889 1.00 0.29 C ATOM 1819 O ILE B 13 3.090 -1.505 3.657 1.00 0.35 O ATOM 1820 CB ILE B 13 2.869 -2.881 1.213 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.780 -4.360 0.815 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.610 -1.982 0.014 1.00 0.85 C ATOM 1823 CD1 ILE B 13 3.646 -4.737 -0.366 1.00 1.40 C ATOM 0 H ILE B 13 4.186 -4.350 2.913 1.00 0.27 H new ATOM 0 HA ILE B 13 4.912 -2.220 1.048 1.00 0.27 H new ATOM 0 HB ILE B 13 2.099 -2.692 1.961 1.00 0.36 H new ATOM 0 HG12 ILE B 13 3.065 -4.973 1.670 1.00 0.98 H new ATOM 0 HG13 ILE B 13 1.743 -4.600 0.582 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.639 -2.223 -0.418 1.00 0.85 H new ATOM 0 HG22 ILE B 13 2.617 -0.940 0.333 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.388 -2.139 -0.733 1.00 0.85 H new ATOM 0 HD11 ILE B 13 3.525 -5.798 -0.582 1.00 1.40 H new ATOM 0 HD12 ILE B 13 3.348 -4.153 -1.237 1.00 1.40 H new ATOM 0 HD13 ILE B 13 4.690 -4.531 -0.132 1.00 1.40 H new ATOM 1835 N SER B 14 4.963 -0.519 2.927 1.00 0.34 N ATOM 1836 CA SER B 14 4.893 0.546 3.913 1.00 0.42 C ATOM 1837 C SER B 14 4.575 1.893 3.273 1.00 0.35 C ATOM 1838 O SER B 14 4.547 2.025 2.047 1.00 0.40 O ATOM 1839 CB SER B 14 6.213 0.617 4.673 1.00 0.54 C ATOM 1840 OG SER B 14 6.659 -0.683 5.019 1.00 1.47 O ATOM 0 H SER B 14 5.758 -0.459 2.290 1.00 0.34 H new ATOM 0 HA SER B 14 4.081 0.319 4.604 1.00 0.42 H new ATOM 0 HB2 SER B 14 6.965 1.115 4.061 1.00 0.54 H new ATOM 0 HB3 SER B 14 6.088 1.217 5.575 1.00 0.54 H new ATOM 0 HG SER B 14 5.922 -1.320 4.914 1.00 1.47 H new ATOM 1846 N ARG B 15 4.324 2.887 4.116 1.00 0.31 N ATOM 1847 CA ARG B 15 4.012 4.232 3.658 1.00 0.31 C ATOM 1848 C ARG B 15 5.116 5.187 4.096 1.00 0.27 C ATOM 1849 O ARG B 15 5.486 5.218 5.271 1.00 0.29 O ATOM 1850 CB ARG B 15 2.659 4.692 4.219 1.00 0.42 C ATOM 1851 CG ARG B 15 1.484 3.826 3.779 1.00 0.54 C ATOM 1852 CD ARG B 15 0.617 3.411 4.960 1.00 0.90 C ATOM 1853 NE ARG B 15 -0.413 4.402 5.276 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.458 5.101 6.410 1.00 1.85 C ATOM 1855 NH1 ARG B 15 0.498 4.972 7.321 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -1.460 5.937 6.626 1.00 2.69 N ATOM 0 H ARG B 15 4.331 2.783 5.131 1.00 0.31 H new ATOM 0 HA ARG B 15 3.947 4.230 2.570 1.00 0.31 H new ATOM 0 HB2 ARG B 15 2.709 4.694 5.308 1.00 0.42 H new ATOM 0 HB3 ARG B 15 2.477 5.720 3.907 1.00 0.42 H new ATOM 0 HG2 ARG B 15 0.878 4.374 3.058 1.00 0.54 H new ATOM 0 HG3 ARG B 15 1.857 2.937 3.271 1.00 0.54 H new ATOM 0 HD2 ARG B 15 0.141 2.455 4.739 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.249 3.258 5.834 1.00 0.90 H new ATOM 0 HE ARG B 15 -1.143 4.568 4.584 1.00 1.40 H new ATOM 0 HH11 ARG B 15 1.276 4.334 7.157 1.00 2.03 H new ATOM 0 HH12 ARG B 15 0.455 5.511 8.186 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -2.194 6.045 5.926 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -1.498 6.474 7.492 1.00 2.69 H new ATOM 1870 N HIS B 16 5.649 5.948 3.154 1.00 0.28 N ATOM 1871 CA HIS B 16 6.716 6.897 3.450 1.00 0.28 C ATOM 1872 C HIS B 16 6.449 8.222 2.747 1.00 0.32 C ATOM 1873 O HIS B 16 5.734 8.259 1.751 1.00 0.40 O ATOM 1874 CB HIS B 16 8.080 6.324 3.024 1.00 0.32 C ATOM 1875 CG HIS B 16 8.272 6.201 1.536 1.00 0.36 C ATOM 1876 ND1 HIS B 16 7.927 5.074 0.819 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.781 7.074 0.634 1.00 0.75 C ATOM 1878 CE1 HIS B 16 8.218 5.261 -0.457 1.00 0.46 C ATOM 1879 NE2 HIS B 16 8.736 6.465 -0.593 1.00 0.61 N ATOM 0 H HIS B 16 5.361 5.929 2.176 1.00 0.28 H new ATOM 0 HA HIS B 16 6.740 7.072 4.526 1.00 0.28 H new ATOM 0 HB2 HIS B 16 8.868 6.960 3.427 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.202 5.339 3.475 1.00 0.32 H new ATOM 0 HD1 HIS B 16 7.512 4.229 1.212 1.00 0.54 H new ATOM 0 HD2 HIS B 16 9.153 8.066 0.843 1.00 0.75 H new ATOM 0 HE1 HIS B 16 8.058 4.548 -1.253 1.00 0.46 H new ATOM 1888 N ASN B 17 7.027 9.301 3.252 1.00 0.31 N ATOM 1889 CA ASN B 17 6.832 10.617 2.647 1.00 0.39 C ATOM 1890 C ASN B 17 7.789 10.812 1.467 1.00 0.35 C ATOM 1891 O ASN B 17 8.663 9.976 1.230 1.00 0.32 O ATOM 1892 CB ASN B 17 6.988 11.733 3.697 1.00 0.49 C ATOM 1893 CG ASN B 17 8.422 12.181 3.930 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.375 11.435 3.713 1.00 2.04 O ATOM 1895 ND2 ASN B 17 8.583 13.410 4.389 1.00 0.59 N ATOM 0 H ASN B 17 7.632 9.296 4.073 1.00 0.31 H new ATOM 0 HA ASN B 17 5.814 10.675 2.262 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.398 12.594 3.384 1.00 0.49 H new ATOM 0 HB3 ASN B 17 6.570 11.386 4.642 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.521 13.766 4.574 1.00 0.59 H new ATOM 0 HD22 ASN B 17 7.770 14.002 4.558 1.00 0.59 H new ATOM 1902 N ILE B 18 7.623 11.911 0.738 1.00 0.40 N ATOM 1903 CA ILE B 18 8.454 12.208 -0.434 1.00 0.45 C ATOM 1904 C ILE B 18 9.950 12.274 -0.107 1.00 0.44 C ATOM 1905 O ILE B 18 10.786 11.968 -0.955 1.00 0.52 O ATOM 1906 CB ILE B 18 8.039 13.535 -1.105 1.00 0.53 C ATOM 1907 CG1 ILE B 18 8.060 14.682 -0.090 1.00 0.59 C ATOM 1908 CG2 ILE B 18 6.663 13.401 -1.740 1.00 0.57 C ATOM 1909 CD1 ILE B 18 8.504 16.002 -0.680 1.00 0.70 C ATOM 0 H ILE B 18 6.916 12.619 0.937 1.00 0.40 H new ATOM 0 HA ILE B 18 8.287 11.377 -1.119 1.00 0.45 H new ATOM 0 HB ILE B 18 8.758 13.765 -1.891 1.00 0.53 H new ATOM 0 HG12 ILE B 18 7.063 14.800 0.334 1.00 0.59 H new ATOM 0 HG13 ILE B 18 8.726 14.418 0.731 1.00 0.59 H new ATOM 0 HG21 ILE B 18 6.385 14.345 -2.209 1.00 0.57 H new ATOM 0 HG22 ILE B 18 6.685 12.614 -2.494 1.00 0.57 H new ATOM 0 HG23 ILE B 18 5.931 13.148 -0.973 1.00 0.57 H new ATOM 0 HD11 ILE B 18 8.495 16.768 0.095 1.00 0.70 H new ATOM 0 HD12 ILE B 18 9.513 15.901 -1.079 1.00 0.70 H new ATOM 0 HD13 ILE B 18 7.824 16.289 -1.482 1.00 0.70 H new ATOM 1921 N GLU B 19 10.282 12.661 1.119 1.00 0.41 N ATOM 1922 CA GLU B 19 11.678 12.774 1.534 1.00 0.45 C ATOM 1923 C GLU B 19 12.306 11.399 1.742 1.00 0.41 C ATOM 1924 O GLU B 19 13.528 11.263 1.789 1.00 0.51 O ATOM 1925 CB GLU B 19 11.783 13.579 2.826 1.00 0.50 C ATOM 1926 CG GLU B 19 11.290 15.010 2.700 1.00 0.65 C ATOM 1927 CD GLU B 19 11.152 15.686 4.044 1.00 1.21 C ATOM 1928 OE1 GLU B 19 11.898 15.328 4.975 1.00 1.28 O ATOM 1929 OE2 GLU B 19 10.287 16.574 4.181 1.00 1.92 O ATOM 0 H GLU B 19 9.606 12.902 1.843 1.00 0.41 H new ATOM 0 HA GLU B 19 12.219 13.287 0.739 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.210 13.075 3.604 1.00 0.50 H new ATOM 0 HB3 GLU B 19 12.823 13.591 3.152 1.00 0.50 H new ATOM 0 HG2 GLU B 19 11.983 15.578 2.079 1.00 0.65 H new ATOM 0 HG3 GLU B 19 10.326 15.017 2.191 1.00 0.65 H new ATOM 1936 N GLY B 20 11.470 10.382 1.871 1.00 0.33 N ATOM 1937 CA GLY B 20 11.976 9.045 2.085 1.00 0.32 C ATOM 1938 C GLY B 20 11.837 8.621 3.529 1.00 0.29 C ATOM 1939 O GLY B 20 12.348 7.576 3.927 1.00 0.34 O ATOM 0 H GLY B 20 10.454 10.458 1.831 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.437 8.345 1.446 1.00 0.32 H new ATOM 0 HA3 GLY B 20 13.025 9.001 1.792 1.00 0.32 H new ATOM 1943 N ILE B 21 11.152 9.449 4.307 1.00 0.27 N ATOM 1944 CA ILE B 21 10.916 9.182 5.716 1.00 0.28 C ATOM 1945 C ILE B 21 9.768 8.196 5.862 1.00 0.27 C ATOM 1946 O ILE B 21 8.675 8.434 5.347 1.00 0.31 O ATOM 1947 CB ILE B 21 10.562 10.481 6.480 1.00 0.32 C ATOM 1948 CG1 ILE B 21 11.705 11.497 6.383 1.00 0.37 C ATOM 1949 CG2 ILE B 21 10.229 10.184 7.935 1.00 0.41 C ATOM 1950 CD1 ILE B 21 12.932 11.126 7.190 1.00 0.47 C ATOM 0 H ILE B 21 10.745 10.324 3.977 1.00 0.27 H new ATOM 0 HA ILE B 21 11.830 8.765 6.139 1.00 0.28 H new ATOM 0 HB ILE B 21 9.678 10.915 6.013 1.00 0.32 H new ATOM 0 HG12 ILE B 21 11.991 11.607 5.337 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.343 12.469 6.719 1.00 0.37 H new ATOM 0 HG21 ILE B 21 9.984 11.113 8.449 1.00 0.41 H new ATOM 0 HG22 ILE B 21 9.376 9.507 7.982 1.00 0.41 H new ATOM 0 HG23 ILE B 21 11.088 9.718 8.417 1.00 0.41 H new ATOM 0 HD11 ILE B 21 13.694 11.896 7.068 1.00 0.47 H new ATOM 0 HD12 ILE B 21 12.664 11.045 8.243 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.322 10.170 6.840 1.00 0.47 H new ATOM 1962 N PHE B 22 10.018 7.086 6.536 1.00 0.25 N ATOM 1963 CA PHE B 22 8.990 6.077 6.732 1.00 0.27 C ATOM 1964 C PHE B 22 7.987 6.516 7.792 1.00 0.28 C ATOM 1965 O PHE B 22 8.300 6.560 8.983 1.00 0.35 O ATOM 1966 CB PHE B 22 9.615 4.737 7.115 1.00 0.31 C ATOM 1967 CG PHE B 22 9.955 3.876 5.930 1.00 0.33 C ATOM 1968 CD1 PHE B 22 8.958 3.221 5.224 1.00 0.36 C ATOM 1969 CD2 PHE B 22 11.270 3.725 5.519 1.00 0.38 C ATOM 1970 CE1 PHE B 22 9.266 2.432 4.133 1.00 0.44 C ATOM 1971 CE2 PHE B 22 11.583 2.937 4.427 1.00 0.45 C ATOM 1972 CZ PHE B 22 10.579 2.290 3.733 1.00 0.46 C ATOM 0 H PHE B 22 10.920 6.861 6.955 1.00 0.25 H new ATOM 0 HA PHE B 22 8.457 5.955 5.789 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.520 4.919 7.694 1.00 0.31 H new ATOM 0 HB3 PHE B 22 8.926 4.195 7.763 1.00 0.31 H new ATOM 0 HD1 PHE B 22 7.928 3.329 5.531 1.00 0.36 H new ATOM 0 HD2 PHE B 22 12.059 4.229 6.058 1.00 0.38 H new ATOM 0 HE1 PHE B 22 8.479 1.926 3.593 1.00 0.44 H new ATOM 0 HE2 PHE B 22 12.612 2.827 4.117 1.00 0.45 H new ATOM 0 HZ PHE B 22 10.821 1.674 2.879 1.00 0.46 H new ATOM 1982 N THR B 23 6.789 6.854 7.338 1.00 0.27 N ATOM 1983 CA THR B 23 5.716 7.283 8.220 1.00 0.30 C ATOM 1984 C THR B 23 5.172 6.096 9.010 1.00 0.27 C ATOM 1985 O THR B 23 4.875 6.198 10.201 1.00 0.33 O ATOM 1986 CB THR B 23 4.577 7.912 7.399 1.00 0.42 C ATOM 1987 OG1 THR B 23 5.117 8.530 6.221 1.00 1.35 O ATOM 1988 CG2 THR B 23 3.814 8.942 8.216 1.00 1.14 C ATOM 0 H THR B 23 6.535 6.838 6.350 1.00 0.27 H new ATOM 0 HA THR B 23 6.116 8.023 8.914 1.00 0.30 H new ATOM 0 HB THR B 23 3.882 7.121 7.116 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.390 8.929 5.698 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.016 9.369 7.609 1.00 1.14 H new ATOM 0 HG22 THR B 23 3.384 8.463 9.096 1.00 1.14 H new ATOM 0 HG23 THR B 23 4.494 9.734 8.530 1.00 1.14 H new ATOM 1996 N PHE B 24 5.050 4.966 8.327 1.00 0.25 N ATOM 1997 CA PHE B 24 4.559 3.742 8.935 1.00 0.28 C ATOM 1998 C PHE B 24 5.083 2.546 8.156 1.00 0.26 C ATOM 1999 O PHE B 24 4.788 2.388 6.968 1.00 0.27 O ATOM 2000 CB PHE B 24 3.027 3.726 8.970 1.00 0.36 C ATOM 2001 CG PHE B 24 2.447 2.962 10.131 1.00 0.46 C ATOM 2002 CD1 PHE B 24 3.219 2.062 10.848 1.00 0.59 C ATOM 2003 CD2 PHE B 24 1.125 3.147 10.501 1.00 0.51 C ATOM 2004 CE1 PHE B 24 2.683 1.359 11.910 1.00 0.71 C ATOM 2005 CE2 PHE B 24 0.583 2.447 11.563 1.00 0.61 C ATOM 2006 CZ PHE B 24 1.364 1.553 12.269 1.00 0.70 C ATOM 0 H PHE B 24 5.288 4.874 7.339 1.00 0.25 H new ATOM 0 HA PHE B 24 4.918 3.690 9.963 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.664 4.753 9.007 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.657 3.291 8.041 1.00 0.36 H new ATOM 0 HD1 PHE B 24 4.252 1.908 10.573 1.00 0.59 H new ATOM 0 HD2 PHE B 24 0.510 3.846 9.953 1.00 0.51 H new ATOM 0 HE1 PHE B 24 3.295 0.659 12.459 1.00 0.71 H new ATOM 0 HE2 PHE B 24 -0.450 2.599 11.840 1.00 0.61 H new ATOM 0 HZ PHE B 24 0.944 1.007 13.100 1.00 0.70 H new ATOM 2016 N VAL B 25 5.878 1.729 8.825 1.00 0.26 N ATOM 2017 CA VAL B 25 6.463 0.548 8.213 1.00 0.27 C ATOM 2018 C VAL B 25 5.585 -0.673 8.462 1.00 0.26 C ATOM 2019 O VAL B 25 4.898 -0.757 9.483 1.00 0.25 O ATOM 2020 CB VAL B 25 7.880 0.276 8.764 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.654 -0.661 7.846 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.636 1.579 8.958 1.00 0.78 C ATOM 0 H VAL B 25 6.135 1.864 9.803 1.00 0.26 H new ATOM 0 HA VAL B 25 6.533 0.735 7.141 1.00 0.27 H new ATOM 0 HB VAL B 25 7.777 -0.212 9.733 1.00 0.34 H new ATOM 0 HG11 VAL B 25 9.648 -0.835 8.258 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.124 -1.610 7.764 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.745 -0.209 6.858 1.00 0.74 H new ATOM 0 HG21 VAL B 25 9.632 1.367 9.347 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.722 2.096 8.002 1.00 0.78 H new ATOM 0 HG23 VAL B 25 8.097 2.210 9.665 1.00 0.78 H new ATOM 2032 N ASP B 26 5.600 -1.604 7.518 1.00 0.27 N ATOM 2033 CA ASP B 26 4.816 -2.827 7.632 1.00 0.29 C ATOM 2034 C ASP B 26 5.432 -3.759 8.684 1.00 0.24 C ATOM 2035 O ASP B 26 6.469 -3.454 9.268 1.00 0.22 O ATOM 2036 CB ASP B 26 4.722 -3.526 6.267 1.00 0.39 C ATOM 2037 CG ASP B 26 3.677 -4.627 6.235 1.00 0.48 C ATOM 2038 OD1 ASP B 26 4.022 -5.782 6.545 1.00 0.78 O ATOM 2039 OD2 ASP B 26 2.512 -4.344 5.902 1.00 0.72 O ATOM 0 H ASP B 26 6.149 -1.535 6.661 1.00 0.27 H new ATOM 0 HA ASP B 26 3.807 -2.571 7.955 1.00 0.29 H new ATOM 0 HB2 ASP B 26 4.486 -2.786 5.502 1.00 0.39 H new ATOM 0 HB3 ASP B 26 5.694 -3.948 6.013 1.00 0.39 H new ATOM 2044 N HIS B 27 4.803 -4.901 8.905 1.00 0.26 N ATOM 2045 CA HIS B 27 5.268 -5.861 9.898 1.00 0.26 C ATOM 2046 C HIS B 27 6.150 -6.925 9.249 1.00 0.23 C ATOM 2047 O HIS B 27 6.894 -7.629 9.929 1.00 0.26 O ATOM 2048 CB HIS B 27 4.076 -6.538 10.596 1.00 0.34 C ATOM 2049 CG HIS B 27 2.809 -5.728 10.582 1.00 0.50 C ATOM 2050 ND1 HIS B 27 1.701 -6.080 9.840 1.00 0.70 N ATOM 2051 CD2 HIS B 27 2.482 -4.572 11.211 1.00 0.66 C ATOM 2052 CE1 HIS B 27 0.752 -5.178 10.012 1.00 0.86 C ATOM 2053 NE2 HIS B 27 1.199 -4.253 10.839 1.00 0.83 N ATOM 0 H HIS B 27 3.961 -5.190 8.406 1.00 0.26 H new ATOM 0 HA HIS B 27 5.854 -5.318 10.639 1.00 0.26 H new ATOM 0 HB2 HIS B 27 3.885 -7.497 10.115 1.00 0.34 H new ATOM 0 HB3 HIS B 27 4.347 -6.748 11.630 1.00 0.34 H new ATOM 0 HD2 HIS B 27 3.114 -4.007 11.880 1.00 0.66 H new ATOM 0 HE1 HIS B 27 -0.225 -5.195 9.553 1.00 0.86 H new ATOM 0 HE2 HIS B 27 0.677 -3.434 11.151 1.00 0.83 H new ATOM 2062 N ARG B 28 6.066 -7.030 7.926 1.00 0.24 N ATOM 2063 CA ARG B 28 6.844 -8.017 7.176 1.00 0.27 C ATOM 2064 C ARG B 28 8.313 -7.613 7.050 1.00 0.24 C ATOM 2065 O ARG B 28 9.147 -8.412 6.623 1.00 0.28 O ATOM 2066 CB ARG B 28 6.256 -8.204 5.775 1.00 0.35 C ATOM 2067 CG ARG B 28 4.835 -8.746 5.760 1.00 0.48 C ATOM 2068 CD ARG B 28 4.032 -8.127 4.628 1.00 0.56 C ATOM 2069 NE ARG B 28 2.900 -8.956 4.213 1.00 0.99 N ATOM 2070 CZ ARG B 28 2.605 -9.214 2.938 1.00 1.26 C ATOM 2071 NH1 ARG B 28 3.384 -8.746 1.968 1.00 1.61 N ATOM 2072 NH2 ARG B 28 1.539 -9.946 2.637 1.00 1.87 N ATOM 0 H ARG B 28 5.465 -6.443 7.348 1.00 0.24 H new ATOM 0 HA ARG B 28 6.792 -8.953 7.732 1.00 0.27 H new ATOM 0 HB2 ARG B 28 6.272 -7.246 5.256 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.897 -8.882 5.212 1.00 0.35 H new ATOM 0 HG2 ARG B 28 4.856 -9.830 5.646 1.00 0.48 H new ATOM 0 HG3 ARG B 28 4.350 -8.535 6.713 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.664 -7.150 4.942 1.00 0.56 H new ATOM 0 HD3 ARG B 28 4.687 -7.961 3.773 1.00 0.56 H new ATOM 0 HE ARG B 28 2.305 -9.358 4.937 1.00 0.99 H new ATOM 0 HH11 ARG B 28 4.207 -8.190 2.199 1.00 1.61 H new ATOM 0 HH12 ARG B 28 3.159 -8.943 0.993 1.00 1.61 H new ATOM 0 HH21 ARG B 28 0.945 -10.312 3.381 1.00 1.87 H new ATOM 0 HH22 ARG B 28 1.314 -10.143 1.662 1.00 1.87 H new ATOM 2086 N CYS B 29 8.633 -6.381 7.436 1.00 0.21 N ATOM 2087 CA CYS B 29 10.002 -5.875 7.335 1.00 0.22 C ATOM 2088 C CYS B 29 10.972 -6.673 8.206 1.00 0.22 C ATOM 2089 O CYS B 29 12.155 -6.809 7.870 1.00 0.25 O ATOM 2090 CB CYS B 29 10.051 -4.394 7.720 1.00 0.27 C ATOM 2091 SG CYS B 29 9.685 -4.073 9.458 1.00 1.34 S ATOM 0 H CYS B 29 7.965 -5.714 7.822 1.00 0.21 H new ATOM 0 HA CYS B 29 10.316 -5.991 6.298 1.00 0.22 H new ATOM 0 HB2 CYS B 29 11.042 -4.002 7.490 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.340 -3.845 7.102 1.00 0.27 H new ATOM 0 HG CYS B 29 10.789 -4.089 10.144 1.00 1.34 H new ATOM 2097 N VAL B 30 10.463 -7.216 9.308 1.00 0.24 N ATOM 2098 CA VAL B 30 11.278 -7.990 10.238 1.00 0.31 C ATOM 2099 C VAL B 30 11.867 -9.226 9.564 1.00 0.33 C ATOM 2100 O VAL B 30 13.050 -9.521 9.721 1.00 0.38 O ATOM 2101 CB VAL B 30 10.462 -8.420 11.474 1.00 0.39 C ATOM 2102 CG1 VAL B 30 11.341 -9.158 12.475 1.00 1.01 C ATOM 2103 CG2 VAL B 30 9.802 -7.213 12.121 1.00 0.92 C ATOM 0 H VAL B 30 9.483 -7.133 9.580 1.00 0.24 H new ATOM 0 HA VAL B 30 12.093 -7.342 10.560 1.00 0.31 H new ATOM 0 HB VAL B 30 9.680 -9.105 11.146 1.00 0.39 H new ATOM 0 HG11 VAL B 30 10.743 -9.451 13.338 1.00 1.01 H new ATOM 0 HG12 VAL B 30 11.760 -10.048 12.005 1.00 1.01 H new ATOM 0 HG13 VAL B 30 12.150 -8.504 12.800 1.00 1.01 H new ATOM 0 HG21 VAL B 30 9.230 -7.534 12.992 1.00 0.92 H new ATOM 0 HG22 VAL B 30 10.568 -6.503 12.432 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.134 -6.736 11.404 1.00 0.92 H new ATOM 2113 N ALA B 31 11.047 -9.942 8.811 1.00 0.34 N ATOM 2114 CA ALA B 31 11.508 -11.138 8.119 1.00 0.40 C ATOM 2115 C ALA B 31 12.207 -10.784 6.808 1.00 0.39 C ATOM 2116 O ALA B 31 12.947 -11.595 6.250 1.00 0.45 O ATOM 2117 CB ALA B 31 10.344 -12.080 7.860 1.00 0.46 C ATOM 0 H ALA B 31 10.063 -9.718 8.663 1.00 0.34 H new ATOM 0 HA ALA B 31 12.232 -11.640 8.761 1.00 0.40 H new ATOM 0 HB1 ALA B 31 10.704 -12.969 7.342 1.00 0.46 H new ATOM 0 HB2 ALA B 31 9.893 -12.370 8.809 1.00 0.46 H new ATOM 0 HB3 ALA B 31 9.599 -11.577 7.243 1.00 0.46 H new ATOM 2123 N THR B 32 11.981 -9.570 6.326 1.00 0.36 N ATOM 2124 CA THR B 32 12.581 -9.129 5.077 1.00 0.38 C ATOM 2125 C THR B 32 14.051 -8.738 5.251 1.00 0.42 C ATOM 2126 O THR B 32 14.936 -9.347 4.645 1.00 0.48 O ATOM 2127 CB THR B 32 11.804 -7.945 4.468 1.00 0.37 C ATOM 2128 OG1 THR B 32 10.425 -8.298 4.294 1.00 0.36 O ATOM 2129 CG2 THR B 32 12.395 -7.533 3.124 1.00 0.44 C ATOM 0 H THR B 32 11.388 -8.875 6.780 1.00 0.36 H new ATOM 0 HA THR B 32 12.530 -9.978 4.396 1.00 0.38 H new ATOM 0 HB THR B 32 11.883 -7.103 5.156 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.928 -8.089 5.112 1.00 0.36 H new ATOM 0 HG21 THR B 32 11.827 -6.696 2.718 1.00 0.44 H new ATOM 0 HG22 THR B 32 13.434 -7.234 3.260 1.00 0.44 H new ATOM 0 HG23 THR B 32 12.347 -8.374 2.432 1.00 0.44 H new ATOM 2137 N VAL B 33 14.317 -7.733 6.082 1.00 0.42 N ATOM 2138 CA VAL B 33 15.687 -7.269 6.288 1.00 0.52 C ATOM 2139 C VAL B 33 16.100 -7.317 7.753 1.00 0.57 C ATOM 2140 O VAL B 33 17.240 -6.999 8.090 1.00 0.99 O ATOM 2141 CB VAL B 33 15.883 -5.828 5.765 1.00 0.56 C ATOM 2142 CG1 VAL B 33 16.002 -5.816 4.248 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.745 -4.925 6.222 1.00 0.51 C ATOM 0 H VAL B 33 13.611 -7.229 6.618 1.00 0.42 H new ATOM 0 HA VAL B 33 16.320 -7.953 5.722 1.00 0.52 H new ATOM 0 HB VAL B 33 16.812 -5.441 6.183 1.00 0.56 H new ATOM 0 HG11 VAL B 33 16.139 -4.792 3.902 1.00 0.67 H new ATOM 0 HG12 VAL B 33 16.858 -6.419 3.945 1.00 0.67 H new ATOM 0 HG13 VAL B 33 15.094 -6.229 3.809 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.906 -3.916 5.841 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.799 -5.310 5.841 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.714 -4.901 7.311 1.00 0.51 H new ATOM 2153 N GLY B 34 15.179 -7.704 8.620 1.00 0.36 N ATOM 2154 CA GLY B 34 15.485 -7.772 10.039 1.00 0.38 C ATOM 2155 C GLY B 34 15.285 -6.442 10.732 1.00 0.33 C ATOM 2156 O GLY B 34 15.231 -6.371 11.960 1.00 0.38 O ATOM 0 H GLY B 34 14.227 -7.972 8.371 1.00 0.36 H new ATOM 0 HA2 GLY B 34 14.851 -8.524 10.510 1.00 0.38 H new ATOM 0 HA3 GLY B 34 16.517 -8.097 10.171 1.00 0.38 H new ATOM 2160 N TYR B 35 15.169 -5.391 9.941 1.00 0.32 N ATOM 2161 CA TYR B 35 14.974 -4.055 10.468 1.00 0.31 C ATOM 2162 C TYR B 35 13.595 -3.913 11.087 1.00 0.29 C ATOM 2163 O TYR B 35 12.585 -4.288 10.485 1.00 0.35 O ATOM 2164 CB TYR B 35 15.151 -3.016 9.362 1.00 0.33 C ATOM 2165 CG TYR B 35 16.509 -2.361 9.361 1.00 0.30 C ATOM 2166 CD1 TYR B 35 16.801 -1.328 10.239 1.00 0.39 C ATOM 2167 CD2 TYR B 35 17.498 -2.777 8.483 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.041 -0.729 10.243 1.00 0.39 C ATOM 2169 CE2 TYR B 35 18.742 -2.182 8.482 1.00 0.30 C ATOM 2170 CZ TYR B 35 19.008 -1.161 9.363 1.00 0.30 C ATOM 2171 OH TYR B 35 20.248 -0.570 9.362 1.00 0.34 O ATOM 0 H TYR B 35 15.207 -5.439 8.923 1.00 0.32 H new ATOM 0 HA TYR B 35 15.723 -3.886 11.242 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.987 -3.494 8.396 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.386 -2.247 9.471 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.044 -0.988 10.930 1.00 0.39 H new ATOM 0 HD2 TYR B 35 17.291 -3.579 7.790 1.00 0.30 H new ATOM 0 HE1 TYR B 35 18.254 0.075 10.932 1.00 0.39 H new ATOM 0 HE2 TYR B 35 19.503 -2.516 7.793 1.00 0.30 H new ATOM 0 HH TYR B 35 20.152 0.392 9.202 1.00 0.34 H new ATOM 2181 N GLN B 36 13.561 -3.388 12.294 1.00 0.30 N ATOM 2182 CA GLN B 36 12.308 -3.182 12.993 1.00 0.31 C ATOM 2183 C GLN B 36 11.651 -1.908 12.482 1.00 0.30 C ATOM 2184 O GLN B 36 12.346 -0.964 12.109 1.00 0.35 O ATOM 2185 CB GLN B 36 12.548 -3.087 14.501 1.00 0.40 C ATOM 2186 CG GLN B 36 13.167 -4.339 15.098 1.00 0.42 C ATOM 2187 CD GLN B 36 12.367 -5.593 14.797 1.00 0.81 C ATOM 2188 OE1 GLN B 36 12.764 -6.321 13.767 1.00 1.63 O flip ATOM 2189 NE2 GLN B 36 11.406 -5.913 15.497 1.00 1.29 N flip ATOM 0 H GLN B 36 14.389 -3.095 12.813 1.00 0.30 H new ATOM 0 HA GLN B 36 11.648 -4.029 12.805 1.00 0.31 H new ATOM 0 HB2 GLN B 36 13.200 -2.237 14.704 1.00 0.40 H new ATOM 0 HB3 GLN B 36 11.599 -2.887 15.000 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.179 -4.458 14.711 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.251 -4.218 16.178 1.00 0.42 H new ATOM 0 HE21 GLN B 36 11.130 -5.325 16.284 1.00 1.29 H new ATOM 0 HE22 GLN B 36 10.886 -6.766 15.290 1.00 1.29 H new ATOM 2198 N PRO B 37 10.309 -1.861 12.445 1.00 0.33 N ATOM 2199 CA PRO B 37 9.572 -0.682 11.971 1.00 0.35 C ATOM 2200 C PRO B 37 10.023 0.598 12.672 1.00 0.31 C ATOM 2201 O PRO B 37 10.119 1.659 12.057 1.00 0.30 O ATOM 2202 CB PRO B 37 8.120 -1.004 12.329 1.00 0.43 C ATOM 2203 CG PRO B 37 8.058 -2.492 12.364 1.00 0.49 C ATOM 2204 CD PRO B 37 9.405 -2.954 12.848 1.00 0.40 C ATOM 0 HA PRO B 37 9.731 -0.499 10.908 1.00 0.35 H new ATOM 0 HB2 PRO B 37 7.845 -0.574 13.292 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.431 -0.597 11.590 1.00 0.43 H new ATOM 0 HG2 PRO B 37 7.266 -2.834 13.031 1.00 0.49 H new ATOM 0 HG3 PRO B 37 7.839 -2.896 11.376 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.414 -3.105 13.928 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.692 -3.901 12.392 1.00 0.40 H new ATOM 2212 N GLN B 38 10.339 0.469 13.954 1.00 0.33 N ATOM 2213 CA GLN B 38 10.779 1.595 14.769 1.00 0.35 C ATOM 2214 C GLN B 38 12.154 2.104 14.339 1.00 0.34 C ATOM 2215 O GLN B 38 12.547 3.214 14.695 1.00 0.33 O ATOM 2216 CB GLN B 38 10.825 1.194 16.243 1.00 0.46 C ATOM 2217 CG GLN B 38 9.467 0.871 16.843 1.00 0.57 C ATOM 2218 CD GLN B 38 8.959 -0.499 16.446 1.00 1.14 C ATOM 2219 OE1 GLN B 38 9.742 -1.409 16.166 1.00 2.03 O ATOM 2220 NE2 GLN B 38 7.647 -0.654 16.409 1.00 1.34 N ATOM 0 H GLN B 38 10.298 -0.417 14.458 1.00 0.33 H new ATOM 0 HA GLN B 38 10.058 2.400 14.627 1.00 0.35 H new ATOM 0 HB2 GLN B 38 11.474 0.325 16.351 1.00 0.46 H new ATOM 0 HB3 GLN B 38 11.279 2.004 16.814 1.00 0.46 H new ATOM 0 HG2 GLN B 38 9.532 0.928 17.930 1.00 0.57 H new ATOM 0 HG3 GLN B 38 8.747 1.626 16.527 1.00 0.57 H new ATOM 0 HE21 GLN B 38 7.034 0.126 16.648 1.00 1.34 H new ATOM 0 HE22 GLN B 38 7.247 -1.553 16.141 1.00 1.34 H new ATOM 2229 N GLU B 39 12.886 1.296 13.581 1.00 0.39 N ATOM 2230 CA GLU B 39 14.215 1.682 13.117 1.00 0.44 C ATOM 2231 C GLU B 39 14.127 2.471 11.818 1.00 0.44 C ATOM 2232 O GLU B 39 15.063 3.174 11.442 1.00 0.53 O ATOM 2233 CB GLU B 39 15.095 0.450 12.921 1.00 0.55 C ATOM 2234 CG GLU B 39 15.214 -0.408 14.168 1.00 0.59 C ATOM 2235 CD GLU B 39 16.277 -1.475 14.039 1.00 1.16 C ATOM 2236 OE1 GLU B 39 16.042 -2.470 13.326 1.00 1.69 O ATOM 2237 OE2 GLU B 39 17.352 -1.324 14.662 1.00 1.59 O ATOM 0 H GLU B 39 12.583 0.371 13.275 1.00 0.39 H new ATOM 0 HA GLU B 39 14.665 2.318 13.880 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.687 -0.154 12.110 1.00 0.55 H new ATOM 0 HB3 GLU B 39 16.090 0.769 12.611 1.00 0.55 H new ATOM 0 HG2 GLU B 39 15.445 0.229 15.022 1.00 0.59 H new ATOM 0 HG3 GLU B 39 14.253 -0.880 14.373 1.00 0.59 H new ATOM 2244 N LEU B 40 12.998 2.344 11.135 1.00 0.41 N ATOM 2245 CA LEU B 40 12.778 3.053 9.881 1.00 0.44 C ATOM 2246 C LEU B 40 11.966 4.321 10.128 1.00 0.40 C ATOM 2247 O LEU B 40 12.017 5.270 9.346 1.00 0.45 O ATOM 2248 CB LEU B 40 12.036 2.166 8.870 1.00 0.50 C ATOM 2249 CG LEU B 40 12.877 1.111 8.141 1.00 0.53 C ATOM 2250 CD1 LEU B 40 14.163 1.719 7.608 1.00 1.10 C ATOM 2251 CD2 LEU B 40 13.177 -0.066 9.052 1.00 1.24 C ATOM 0 H LEU B 40 12.218 1.755 11.428 1.00 0.41 H new ATOM 0 HA LEU B 40 13.753 3.316 9.470 1.00 0.44 H new ATOM 0 HB2 LEU B 40 11.227 1.656 9.393 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.576 2.812 8.122 1.00 0.50 H new ATOM 0 HG LEU B 40 12.297 0.745 7.294 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.743 0.952 7.095 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.924 2.521 6.910 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.746 2.121 8.437 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.775 -0.801 8.512 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.730 0.281 9.925 1.00 1.24 H new ATOM 0 HD23 LEU B 40 12.242 -0.525 9.374 1.00 1.24 H new ATOM 2263 N LEU B 41 11.216 4.324 11.226 1.00 0.34 N ATOM 2264 CA LEU B 41 10.377 5.461 11.590 1.00 0.34 C ATOM 2265 C LEU B 41 11.211 6.723 11.780 1.00 0.38 C ATOM 2266 O LEU B 41 12.104 6.774 12.631 1.00 0.43 O ATOM 2267 CB LEU B 41 9.584 5.154 12.866 1.00 0.29 C ATOM 2268 CG LEU B 41 8.478 4.108 12.707 1.00 0.28 C ATOM 2269 CD1 LEU B 41 7.816 3.823 14.044 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.449 4.572 11.689 1.00 0.30 C ATOM 0 H LEU B 41 11.172 3.545 11.884 1.00 0.34 H new ATOM 0 HA LEU B 41 9.678 5.636 10.772 1.00 0.34 H new ATOM 0 HB2 LEU B 41 10.278 4.812 13.633 1.00 0.29 H new ATOM 0 HB3 LEU B 41 9.138 6.080 13.229 1.00 0.29 H new ATOM 0 HG LEU B 41 8.928 3.184 12.344 1.00 0.28 H new ATOM 0 HD11 LEU B 41 7.033 3.077 13.910 1.00 0.30 H new ATOM 0 HD12 LEU B 41 8.560 3.446 14.745 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.379 4.741 14.437 1.00 0.30 H new ATOM 0 HD21 LEU B 41 6.670 3.816 11.589 1.00 0.30 H new ATOM 0 HD22 LEU B 41 7.004 5.509 12.023 1.00 0.30 H new ATOM 0 HD23 LEU B 41 7.934 4.724 10.725 1.00 0.30 H new ATOM 2282 N GLY B 42 10.931 7.728 10.960 1.00 0.43 N ATOM 2283 CA GLY B 42 11.646 8.986 11.046 1.00 0.51 C ATOM 2284 C GLY B 42 12.996 8.939 10.357 1.00 0.49 C ATOM 2285 O GLY B 42 13.741 9.916 10.370 1.00 0.53 O ATOM 0 H GLY B 42 10.217 7.693 10.233 1.00 0.43 H new ATOM 0 HA2 GLY B 42 11.041 9.775 10.598 1.00 0.51 H new ATOM 0 HA3 GLY B 42 11.787 9.249 12.095 1.00 0.51 H new ATOM 2289 N LYS B 43 13.312 7.806 9.752 1.00 0.46 N ATOM 2290 CA LYS B 43 14.580 7.638 9.066 1.00 0.47 C ATOM 2291 C LYS B 43 14.382 7.700 7.563 1.00 0.40 C ATOM 2292 O LYS B 43 13.294 7.411 7.059 1.00 0.50 O ATOM 2293 CB LYS B 43 15.222 6.304 9.453 1.00 0.57 C ATOM 2294 CG LYS B 43 15.719 6.254 10.889 1.00 0.73 C ATOM 2295 CD LYS B 43 17.134 6.795 11.012 1.00 0.81 C ATOM 2296 CE LYS B 43 17.151 8.311 11.112 1.00 1.70 C ATOM 2297 NZ LYS B 43 18.514 8.862 10.910 1.00 2.45 N ATOM 0 H LYS B 43 12.705 6.987 9.723 1.00 0.46 H new ATOM 0 HA LYS B 43 15.243 8.449 9.367 1.00 0.47 H new ATOM 0 HB2 LYS B 43 14.496 5.505 9.302 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.058 6.106 8.782 1.00 0.57 H new ATOM 0 HG2 LYS B 43 15.051 6.834 11.526 1.00 0.73 H new ATOM 0 HG3 LYS B 43 15.690 5.226 11.249 1.00 0.73 H new ATOM 0 HD2 LYS B 43 17.612 6.367 11.893 1.00 0.81 H new ATOM 0 HD3 LYS B 43 17.720 6.481 10.148 1.00 0.81 H new ATOM 0 HE2 LYS B 43 16.475 8.732 10.368 1.00 1.70 H new ATOM 0 HE3 LYS B 43 16.777 8.615 12.090 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 18.445 9.847 10.583 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 19.038 8.831 11.808 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 19.016 8.295 10.197 1.00 2.45 H new ATOM 2311 N ASN B 44 15.428 8.088 6.854 1.00 0.32 N ATOM 2312 CA ASN B 44 15.373 8.179 5.408 1.00 0.29 C ATOM 2313 C ASN B 44 15.787 6.853 4.796 1.00 0.28 C ATOM 2314 O ASN B 44 16.820 6.290 5.160 1.00 0.30 O ATOM 2315 CB ASN B 44 16.296 9.287 4.887 1.00 0.30 C ATOM 2316 CG ASN B 44 15.804 10.685 5.214 1.00 0.91 C ATOM 2317 OD1 ASN B 44 16.136 11.244 6.259 1.00 1.92 O ATOM 2318 ND2 ASN B 44 15.025 11.271 4.317 1.00 0.70 N ATOM 0 H ASN B 44 16.328 8.346 7.259 1.00 0.32 H new ATOM 0 HA ASN B 44 14.349 8.419 5.123 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.290 9.151 5.312 1.00 0.30 H new ATOM 0 HB3 ASN B 44 16.395 9.188 3.806 1.00 0.30 H new ATOM 0 HD21 ASN B 44 14.680 12.217 4.481 1.00 0.70 H new ATOM 0 HD22 ASN B 44 14.770 10.777 3.462 1.00 0.70 H new ATOM 2325 N ILE B 45 14.982 6.358 3.866 1.00 0.25 N ATOM 2326 CA ILE B 45 15.267 5.096 3.190 1.00 0.25 C ATOM 2327 C ILE B 45 16.617 5.158 2.463 1.00 0.24 C ATOM 2328 O ILE B 45 17.252 4.135 2.211 1.00 0.31 O ATOM 2329 CB ILE B 45 14.142 4.738 2.189 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.369 3.342 1.594 1.00 0.27 C ATOM 2331 CG2 ILE B 45 14.049 5.788 1.089 1.00 0.24 C ATOM 2332 CD1 ILE B 45 13.241 2.872 0.702 1.00 0.28 C ATOM 0 H ILE B 45 14.122 6.813 3.560 1.00 0.25 H new ATOM 0 HA ILE B 45 15.316 4.317 3.950 1.00 0.25 H new ATOM 0 HB ILE B 45 13.195 4.726 2.728 1.00 0.25 H new ATOM 0 HG12 ILE B 45 15.296 3.347 1.021 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.500 2.627 2.406 1.00 0.27 H new ATOM 0 HG21 ILE B 45 13.253 5.519 0.395 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.832 6.760 1.531 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.996 5.837 0.552 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.471 1.878 0.318 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.315 2.834 1.276 1.00 0.28 H new ATOM 0 HD13 ILE B 45 13.123 3.565 -0.131 1.00 0.28 H new ATOM 2344 N VAL B 46 17.064 6.373 2.163 1.00 0.21 N ATOM 2345 CA VAL B 46 18.327 6.583 1.471 1.00 0.23 C ATOM 2346 C VAL B 46 19.520 6.293 2.389 1.00 0.23 C ATOM 2347 O VAL B 46 20.608 5.963 1.918 1.00 0.29 O ATOM 2348 CB VAL B 46 18.420 8.026 0.918 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.592 9.040 2.040 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.545 8.150 -0.095 1.00 1.15 C ATOM 0 H VAL B 46 16.564 7.232 2.391 1.00 0.21 H new ATOM 0 HA VAL B 46 18.361 5.885 0.635 1.00 0.23 H new ATOM 0 HB VAL B 46 17.480 8.244 0.412 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.654 10.043 1.618 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.739 8.983 2.716 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.507 8.821 2.591 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.588 9.173 -0.467 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.492 7.897 0.381 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.363 7.469 -0.926 1.00 1.15 H new ATOM 2360 N GLU B 47 19.305 6.386 3.699 1.00 0.23 N ATOM 2361 CA GLU B 47 20.369 6.138 4.669 1.00 0.27 C ATOM 2362 C GLU B 47 20.800 4.680 4.626 1.00 0.25 C ATOM 2363 O GLU B 47 21.987 4.362 4.691 1.00 0.35 O ATOM 2364 CB GLU B 47 19.899 6.484 6.082 1.00 0.34 C ATOM 2365 CG GLU B 47 19.503 7.938 6.261 1.00 0.42 C ATOM 2366 CD GLU B 47 19.084 8.251 7.683 1.00 1.07 C ATOM 2367 OE1 GLU B 47 19.943 8.199 8.590 1.00 1.06 O ATOM 2368 OE2 GLU B 47 17.900 8.564 7.906 1.00 1.96 O ATOM 0 H GLU B 47 18.405 6.631 4.113 1.00 0.23 H new ATOM 0 HA GLU B 47 21.216 6.772 4.408 1.00 0.27 H new ATOM 0 HB2 GLU B 47 19.048 5.852 6.336 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.695 6.245 6.787 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.341 8.577 5.983 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.683 8.175 5.583 1.00 0.42 H new ATOM 2375 N PHE B 48 19.821 3.801 4.497 1.00 0.22 N ATOM 2376 CA PHE B 48 20.070 2.370 4.453 1.00 0.26 C ATOM 2377 C PHE B 48 20.167 1.894 3.010 1.00 0.26 C ATOM 2378 O PHE B 48 20.064 0.702 2.726 1.00 0.33 O ATOM 2379 CB PHE B 48 18.950 1.622 5.181 1.00 0.32 C ATOM 2380 CG PHE B 48 18.518 2.286 6.457 1.00 0.35 C ATOM 2381 CD1 PHE B 48 19.231 2.096 7.628 1.00 0.40 C ATOM 2382 CD2 PHE B 48 17.402 3.108 6.483 1.00 0.39 C ATOM 2383 CE1 PHE B 48 18.840 2.711 8.801 1.00 0.45 C ATOM 2384 CE2 PHE B 48 17.007 3.725 7.654 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.726 3.527 8.813 1.00 0.46 C ATOM 0 H PHE B 48 18.837 4.057 4.420 1.00 0.22 H new ATOM 0 HA PHE B 48 21.017 2.163 4.952 1.00 0.26 H new ATOM 0 HB2 PHE B 48 18.090 1.535 4.517 1.00 0.32 H new ATOM 0 HB3 PHE B 48 19.285 0.609 5.403 1.00 0.32 H new ATOM 0 HD1 PHE B 48 20.103 1.459 7.624 1.00 0.40 H new ATOM 0 HD2 PHE B 48 16.835 3.268 5.578 1.00 0.39 H new ATOM 0 HE1 PHE B 48 19.405 2.554 9.708 1.00 0.45 H new ATOM 0 HE2 PHE B 48 16.135 4.362 7.661 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.419 4.009 9.729 1.00 0.46 H new ATOM 2395 N CYS B 49 20.371 2.836 2.105 1.00 0.23 N ATOM 2396 CA CYS B 49 20.481 2.524 0.693 1.00 0.28 C ATOM 2397 C CYS B 49 21.941 2.525 0.266 1.00 0.30 C ATOM 2398 O CYS B 49 22.760 3.268 0.815 1.00 0.38 O ATOM 2399 CB CYS B 49 19.689 3.539 -0.135 1.00 0.31 C ATOM 2400 SG CYS B 49 19.760 3.269 -1.921 1.00 1.17 S ATOM 0 H CYS B 49 20.464 3.827 2.326 1.00 0.23 H new ATOM 0 HA CYS B 49 20.067 1.531 0.521 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.647 3.513 0.182 1.00 0.31 H new ATOM 0 HB3 CYS B 49 20.064 4.539 0.084 1.00 0.31 H new ATOM 0 HG CYS B 49 19.112 2.183 -2.222 1.00 1.17 H new ATOM 2406 N HIS B 50 22.259 1.661 -0.689 1.00 0.32 N ATOM 2407 CA HIS B 50 23.607 1.545 -1.232 1.00 0.38 C ATOM 2408 C HIS B 50 24.049 2.890 -1.806 1.00 0.32 C ATOM 2409 O HIS B 50 23.339 3.467 -2.619 1.00 0.31 O ATOM 2410 CB HIS B 50 23.608 0.471 -2.325 1.00 0.54 C ATOM 2411 CG HIS B 50 24.962 -0.045 -2.704 1.00 0.41 C ATOM 2412 ND1 HIS B 50 25.310 -0.327 -4.004 1.00 1.06 N ATOM 2413 CD2 HIS B 50 26.041 -0.360 -1.950 1.00 1.18 C ATOM 2414 CE1 HIS B 50 26.544 -0.794 -4.037 1.00 0.87 C ATOM 2415 NE2 HIS B 50 27.010 -0.824 -2.803 1.00 1.08 N ATOM 0 H HIS B 50 21.588 1.019 -1.110 1.00 0.32 H new ATOM 0 HA HIS B 50 24.305 1.260 -0.444 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.997 -0.367 -1.990 1.00 0.54 H new ATOM 0 HB3 HIS B 50 23.129 0.879 -3.215 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.708 -0.196 -4.817 1.00 1.06 H new ATOM 0 HD2 HIS B 50 26.124 -0.264 -0.877 1.00 1.18 H new ATOM 0 HE1 HIS B 50 27.081 -1.099 -4.923 1.00 0.87 H new ATOM 2424 N PRO B 51 25.216 3.404 -1.381 1.00 0.35 N ATOM 2425 CA PRO B 51 25.739 4.700 -1.847 1.00 0.38 C ATOM 2426 C PRO B 51 25.675 4.871 -3.367 1.00 0.36 C ATOM 2427 O PRO B 51 25.197 5.890 -3.868 1.00 0.46 O ATOM 2428 CB PRO B 51 27.190 4.678 -1.365 1.00 0.47 C ATOM 2429 CG PRO B 51 27.164 3.824 -0.146 1.00 0.72 C ATOM 2430 CD PRO B 51 26.121 2.770 -0.400 1.00 0.44 C ATOM 0 HA PRO B 51 25.151 5.533 -1.462 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.854 4.266 -2.124 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.549 5.682 -1.139 1.00 0.47 H new ATOM 0 HG2 PRO B 51 28.139 3.372 0.035 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.917 4.413 0.738 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.563 1.856 -0.796 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.594 2.499 0.515 1.00 0.44 H new ATOM 2438 N GLU B 52 26.133 3.861 -4.093 1.00 0.37 N ATOM 2439 CA GLU B 52 26.139 3.898 -5.555 1.00 0.38 C ATOM 2440 C GLU B 52 24.730 3.776 -6.140 1.00 0.37 C ATOM 2441 O GLU B 52 24.544 3.906 -7.351 1.00 0.40 O ATOM 2442 CB GLU B 52 27.013 2.772 -6.115 1.00 0.45 C ATOM 2443 CG GLU B 52 28.437 2.775 -5.586 1.00 0.78 C ATOM 2444 CD GLU B 52 28.625 1.843 -4.409 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.957 2.039 -3.372 1.00 2.04 O ATOM 2446 OE2 GLU B 52 29.446 0.908 -4.511 1.00 1.70 O ATOM 0 H GLU B 52 26.508 3.000 -3.694 1.00 0.37 H new ATOM 0 HA GLU B 52 26.547 4.866 -5.845 1.00 0.38 H new ATOM 0 HB2 GLU B 52 26.550 1.814 -5.878 1.00 0.45 H new ATOM 0 HB3 GLU B 52 27.040 2.853 -7.202 1.00 0.45 H new ATOM 0 HG2 GLU B 52 29.118 2.485 -6.386 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.708 3.788 -5.289 1.00 0.78 H new ATOM 2453 N ASP B 53 23.745 3.533 -5.288 1.00 0.36 N ATOM 2454 CA ASP B 53 22.361 3.385 -5.731 1.00 0.37 C ATOM 2455 C ASP B 53 21.468 4.438 -5.082 1.00 0.38 C ATOM 2456 O ASP B 53 20.253 4.451 -5.292 1.00 0.42 O ATOM 2457 CB ASP B 53 21.833 1.987 -5.392 1.00 0.47 C ATOM 2458 CG ASP B 53 22.462 0.897 -6.237 1.00 0.48 C ATOM 2459 OD1 ASP B 53 22.064 0.738 -7.407 1.00 1.09 O ATOM 2460 OD2 ASP B 53 23.355 0.178 -5.731 1.00 1.10 O ATOM 0 H ASP B 53 23.876 3.433 -4.281 1.00 0.36 H new ATOM 0 HA ASP B 53 22.341 3.522 -6.812 1.00 0.37 H new ATOM 0 HB2 ASP B 53 22.023 1.778 -4.339 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.752 1.969 -5.531 1.00 0.47 H new ATOM 2465 N GLN B 54 22.078 5.326 -4.302 1.00 0.41 N ATOM 2466 CA GLN B 54 21.340 6.376 -3.608 1.00 0.47 C ATOM 2467 C GLN B 54 20.724 7.357 -4.598 1.00 0.50 C ATOM 2468 O GLN B 54 19.590 7.807 -4.419 1.00 0.53 O ATOM 2469 CB GLN B 54 22.252 7.112 -2.630 1.00 0.56 C ATOM 2470 CG GLN B 54 22.457 6.367 -1.323 1.00 0.65 C ATOM 2471 CD GLN B 54 23.307 7.138 -0.334 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.238 7.854 -0.712 1.00 1.10 O ATOM 2473 NE2 GLN B 54 22.987 7.002 0.941 1.00 0.80 N ATOM 0 H GLN B 54 23.084 5.339 -4.135 1.00 0.41 H new ATOM 0 HA GLN B 54 20.532 5.906 -3.048 1.00 0.47 H new ATOM 0 HB2 GLN B 54 23.221 7.277 -3.102 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.829 8.094 -2.418 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.486 6.157 -0.874 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.928 5.406 -1.528 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.209 6.399 1.210 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.518 7.500 1.656 1.00 0.80 H new ATOM 2482 N GLN B 55 21.476 7.689 -5.640 1.00 0.54 N ATOM 2483 CA GLN B 55 20.989 8.599 -6.666 1.00 0.61 C ATOM 2484 C GLN B 55 19.883 7.913 -7.461 1.00 0.52 C ATOM 2485 O GLN B 55 18.888 8.539 -7.823 1.00 0.52 O ATOM 2486 CB GLN B 55 22.137 9.042 -7.584 1.00 0.76 C ATOM 2487 CG GLN B 55 21.689 9.780 -8.841 1.00 1.33 C ATOM 2488 CD GLN B 55 20.918 11.056 -8.552 1.00 1.73 C ATOM 2489 OE1 GLN B 55 21.109 11.701 -7.518 1.00 2.72 O ATOM 2490 NE2 GLN B 55 20.043 11.429 -9.473 1.00 1.51 N ATOM 0 H GLN B 55 22.423 7.342 -5.796 1.00 0.54 H new ATOM 0 HA GLN B 55 20.583 9.494 -6.195 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.810 9.687 -7.019 1.00 0.76 H new ATOM 0 HB3 GLN B 55 22.711 8.163 -7.878 1.00 0.76 H new ATOM 0 HG2 GLN B 55 22.565 10.023 -9.442 1.00 1.33 H new ATOM 0 HG3 GLN B 55 21.066 9.116 -9.440 1.00 1.33 H new ATOM 0 HE21 GLN B 55 19.916 10.866 -10.314 1.00 1.51 H new ATOM 0 HE22 GLN B 55 19.496 12.280 -9.342 1.00 1.51 H new ATOM 2499 N LEU B 56 20.061 6.618 -7.709 1.00 0.51 N ATOM 2500 CA LEU B 56 19.078 5.827 -8.435 1.00 0.51 C ATOM 2501 C LEU B 56 17.742 5.840 -7.700 1.00 0.42 C ATOM 2502 O LEU B 56 16.688 6.037 -8.311 1.00 0.42 O ATOM 2503 CB LEU B 56 19.572 4.387 -8.601 1.00 0.60 C ATOM 2504 CG LEU B 56 18.565 3.426 -9.237 1.00 0.63 C ATOM 2505 CD1 LEU B 56 18.361 3.759 -10.709 1.00 1.29 C ATOM 2506 CD2 LEU B 56 19.024 1.986 -9.073 1.00 1.42 C ATOM 0 H LEU B 56 20.884 6.093 -7.414 1.00 0.51 H new ATOM 0 HA LEU B 56 18.940 6.267 -9.423 1.00 0.51 H new ATOM 0 HB2 LEU B 56 20.476 4.397 -9.210 1.00 0.60 H new ATOM 0 HB3 LEU B 56 19.852 4.000 -7.621 1.00 0.60 H new ATOM 0 HG LEU B 56 17.610 3.542 -8.725 1.00 0.63 H new ATOM 0 HD11 LEU B 56 17.642 3.064 -11.143 1.00 1.29 H new ATOM 0 HD12 LEU B 56 17.984 4.777 -10.803 1.00 1.29 H new ATOM 0 HD13 LEU B 56 19.311 3.674 -11.236 1.00 1.29 H new ATOM 0 HD21 LEU B 56 18.295 1.317 -9.531 1.00 1.42 H new ATOM 0 HD22 LEU B 56 19.992 1.855 -9.557 1.00 1.42 H new ATOM 0 HD23 LEU B 56 19.115 1.752 -8.012 1.00 1.42 H new ATOM 2518 N LEU B 57 17.791 5.636 -6.388 1.00 0.40 N ATOM 2519 CA LEU B 57 16.586 5.640 -5.570 1.00 0.39 C ATOM 2520 C LEU B 57 15.931 7.016 -5.613 1.00 0.37 C ATOM 2521 O LEU B 57 14.717 7.133 -5.787 1.00 0.39 O ATOM 2522 CB LEU B 57 16.914 5.265 -4.121 1.00 0.48 C ATOM 2523 CG LEU B 57 16.107 4.098 -3.544 1.00 0.60 C ATOM 2524 CD1 LEU B 57 16.280 4.031 -2.037 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.633 4.222 -3.899 1.00 1.15 C ATOM 0 H LEU B 57 18.653 5.466 -5.869 1.00 0.40 H new ATOM 0 HA LEU B 57 15.895 4.900 -5.972 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.974 5.017 -4.059 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.754 6.141 -3.492 1.00 0.48 H new ATOM 0 HG LEU B 57 16.486 3.176 -3.985 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.701 3.197 -1.641 1.00 1.01 H new ATOM 0 HD12 LEU B 57 17.334 3.887 -1.798 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.930 4.961 -1.589 1.00 1.01 H new ATOM 0 HD21 LEU B 57 14.085 3.380 -3.476 1.00 1.15 H new ATOM 0 HD22 LEU B 57 14.238 5.153 -3.493 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.519 4.222 -4.983 1.00 1.15 H new ATOM 2537 N ARG B 58 16.752 8.051 -5.473 1.00 0.42 N ATOM 2538 CA ARG B 58 16.270 9.428 -5.495 1.00 0.50 C ATOM 2539 C ARG B 58 15.600 9.748 -6.828 1.00 0.44 C ATOM 2540 O ARG B 58 14.497 10.294 -6.861 1.00 0.44 O ATOM 2541 CB ARG B 58 17.427 10.398 -5.243 1.00 0.65 C ATOM 2542 CG ARG B 58 17.018 11.860 -5.308 1.00 1.08 C ATOM 2543 CD ARG B 58 18.213 12.766 -5.550 1.00 1.12 C ATOM 2544 NE ARG B 58 17.801 14.133 -5.856 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.420 14.923 -6.732 1.00 2.21 C ATOM 2546 NH1 ARG B 58 19.513 14.505 -7.358 1.00 1.97 N ATOM 2547 NH2 ARG B 58 17.942 16.136 -6.976 1.00 3.01 N ATOM 0 H ARG B 58 17.760 7.962 -5.342 1.00 0.42 H new ATOM 0 HA ARG B 58 15.531 9.543 -4.702 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.856 10.192 -4.262 1.00 0.65 H new ATOM 0 HB3 ARG B 58 18.211 10.215 -5.978 1.00 0.65 H new ATOM 0 HG2 ARG B 58 16.288 11.999 -6.106 1.00 1.08 H new ATOM 0 HG3 ARG B 58 16.529 12.143 -4.376 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.853 12.768 -4.668 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.807 12.372 -6.374 1.00 1.12 H new ATOM 0 HE ARG B 58 16.987 14.507 -5.368 1.00 1.90 H new ATOM 0 HH11 ARG B 58 19.884 13.574 -7.170 1.00 1.97 H new ATOM 0 HH12 ARG B 58 19.982 15.115 -8.028 1.00 1.97 H new ATOM 0 HH21 ARG B 58 17.104 16.460 -6.494 1.00 3.01 H new ATOM 0 HH22 ARG B 58 18.413 16.744 -7.646 1.00 3.01 H new ATOM 2561 N ASP B 59 16.271 9.394 -7.920 1.00 0.42 N ATOM 2562 CA ASP B 59 15.750 9.639 -9.262 1.00 0.43 C ATOM 2563 C ASP B 59 14.422 8.921 -9.468 1.00 0.37 C ATOM 2564 O ASP B 59 13.463 9.506 -9.970 1.00 0.39 O ATOM 2565 CB ASP B 59 16.758 9.183 -10.317 1.00 0.49 C ATOM 2566 CG ASP B 59 16.209 9.274 -11.727 1.00 0.58 C ATOM 2567 OD1 ASP B 59 16.162 10.393 -12.282 1.00 0.76 O ATOM 2568 OD2 ASP B 59 15.838 8.225 -12.293 1.00 0.78 O ATOM 0 H ASP B 59 17.181 8.934 -7.902 1.00 0.42 H new ATOM 0 HA ASP B 59 15.585 10.711 -9.369 1.00 0.43 H new ATOM 0 HB2 ASP B 59 17.658 9.793 -10.242 1.00 0.49 H new ATOM 0 HB3 ASP B 59 17.053 8.154 -10.112 1.00 0.49 H new ATOM 2573 N SER B 60 14.372 7.657 -9.061 1.00 0.33 N ATOM 2574 CA SER B 60 13.160 6.858 -9.190 1.00 0.33 C ATOM 2575 C SER B 60 12.024 7.473 -8.378 1.00 0.28 C ATOM 2576 O SER B 60 10.877 7.513 -8.829 1.00 0.29 O ATOM 2577 CB SER B 60 13.424 5.424 -8.736 1.00 0.39 C ATOM 2578 OG SER B 60 14.532 4.870 -9.430 1.00 1.41 O ATOM 0 H SER B 60 15.158 7.164 -8.638 1.00 0.33 H new ATOM 0 HA SER B 60 12.863 6.844 -10.239 1.00 0.33 H new ATOM 0 HB2 SER B 60 13.616 5.407 -7.663 1.00 0.39 H new ATOM 0 HB3 SER B 60 12.538 4.814 -8.911 1.00 0.39 H new ATOM 0 HG SER B 60 15.364 5.239 -9.066 1.00 1.41 H new ATOM 2584 N PHE B 61 12.352 7.958 -7.184 1.00 0.30 N ATOM 2585 CA PHE B 61 11.366 8.589 -6.319 1.00 0.32 C ATOM 2586 C PHE B 61 10.801 9.836 -6.984 1.00 0.33 C ATOM 2587 O PHE B 61 9.589 10.013 -7.063 1.00 0.34 O ATOM 2588 CB PHE B 61 11.983 8.953 -4.967 1.00 0.39 C ATOM 2589 CG PHE B 61 11.930 7.843 -3.955 1.00 0.43 C ATOM 2590 CD1 PHE B 61 11.013 6.810 -4.082 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.793 7.840 -2.872 1.00 0.59 C ATOM 2592 CE1 PHE B 61 10.962 5.793 -3.148 1.00 0.70 C ATOM 2593 CE2 PHE B 61 12.746 6.826 -1.936 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.829 5.803 -2.073 1.00 0.60 C ATOM 0 H PHE B 61 13.294 7.925 -6.795 1.00 0.30 H new ATOM 0 HA PHE B 61 10.557 7.878 -6.151 1.00 0.32 H new ATOM 0 HB2 PHE B 61 13.023 9.243 -5.119 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.465 9.823 -4.565 1.00 0.39 H new ATOM 0 HD1 PHE B 61 10.332 6.801 -4.920 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.510 8.639 -2.758 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.246 4.992 -3.258 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.426 6.833 -1.097 1.00 0.65 H new ATOM 0 HZ PHE B 61 11.790 5.011 -1.340 1.00 0.60 H new ATOM 2604 N GLN B 62 11.688 10.690 -7.480 1.00 0.35 N ATOM 2605 CA GLN B 62 11.274 11.918 -8.147 1.00 0.41 C ATOM 2606 C GLN B 62 10.418 11.600 -9.370 1.00 0.37 C ATOM 2607 O GLN B 62 9.473 12.327 -9.685 1.00 0.40 O ATOM 2608 CB GLN B 62 12.495 12.749 -8.556 1.00 0.52 C ATOM 2609 CG GLN B 62 13.241 13.354 -7.378 1.00 0.79 C ATOM 2610 CD GLN B 62 12.369 14.266 -6.536 1.00 1.44 C ATOM 2611 OE1 GLN B 62 11.458 14.982 -7.179 1.00 2.08 O flip ATOM 2612 NE2 GLN B 62 12.524 14.339 -5.319 1.00 2.12 N flip ATOM 0 H GLN B 62 12.698 10.555 -7.433 1.00 0.35 H new ATOM 0 HA GLN B 62 10.677 12.502 -7.446 1.00 0.41 H new ATOM 0 HB2 GLN B 62 13.179 12.119 -9.124 1.00 0.52 H new ATOM 0 HB3 GLN B 62 12.173 13.550 -9.221 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.632 12.553 -6.751 1.00 0.79 H new ATOM 0 HG3 GLN B 62 14.098 13.917 -7.747 1.00 0.79 H new ATOM 0 HE21 GLN B 62 13.237 13.771 -4.861 1.00 2.12 H new ATOM 0 HE22 GLN B 62 11.940 14.967 -4.767 1.00 2.12 H new ATOM 2621 N GLN B 63 10.746 10.502 -10.042 1.00 0.34 N ATOM 2622 CA GLN B 63 10.010 10.076 -11.222 1.00 0.36 C ATOM 2623 C GLN B 63 8.609 9.594 -10.856 1.00 0.29 C ATOM 2624 O GLN B 63 7.645 9.904 -11.556 1.00 0.32 O ATOM 2625 CB GLN B 63 10.772 8.979 -11.966 1.00 0.44 C ATOM 2626 CG GLN B 63 11.873 9.516 -12.866 1.00 0.66 C ATOM 2627 CD GLN B 63 12.315 8.512 -13.908 1.00 0.76 C ATOM 2628 OE1 GLN B 63 11.702 8.396 -14.970 1.00 1.33 O ATOM 2629 NE2 GLN B 63 13.393 7.799 -13.630 1.00 1.23 N ATOM 0 H GLN B 63 11.521 9.890 -9.786 1.00 0.34 H new ATOM 0 HA GLN B 63 9.909 10.939 -11.880 1.00 0.36 H new ATOM 0 HB2 GLN B 63 11.208 8.293 -11.240 1.00 0.44 H new ATOM 0 HB3 GLN B 63 10.069 8.402 -12.568 1.00 0.44 H new ATOM 0 HG2 GLN B 63 11.522 10.420 -13.364 1.00 0.66 H new ATOM 0 HG3 GLN B 63 12.730 9.801 -12.255 1.00 0.66 H new ATOM 0 HE21 GLN B 63 13.872 7.925 -12.738 1.00 1.23 H new ATOM 0 HE22 GLN B 63 13.746 7.123 -14.307 1.00 1.23 H new ATOM 2638 N VAL B 64 8.486 8.854 -9.754 1.00 0.26 N ATOM 2639 CA VAL B 64 7.181 8.352 -9.330 1.00 0.26 C ATOM 2640 C VAL B 64 6.265 9.511 -8.937 1.00 0.26 C ATOM 2641 O VAL B 64 5.040 9.414 -9.046 1.00 0.28 O ATOM 2642 CB VAL B 64 7.290 7.318 -8.175 1.00 0.28 C ATOM 2643 CG1 VAL B 64 7.341 7.983 -6.806 1.00 0.31 C ATOM 2644 CG2 VAL B 64 6.138 6.330 -8.246 1.00 0.30 C ATOM 0 H VAL B 64 9.263 8.592 -9.147 1.00 0.26 H new ATOM 0 HA VAL B 64 6.745 7.829 -10.181 1.00 0.26 H new ATOM 0 HB VAL B 64 8.231 6.783 -8.304 1.00 0.28 H new ATOM 0 HG11 VAL B 64 7.417 7.219 -6.033 1.00 0.31 H new ATOM 0 HG12 VAL B 64 8.209 8.640 -6.753 1.00 0.31 H new ATOM 0 HG13 VAL B 64 6.434 8.567 -6.651 1.00 0.31 H new ATOM 0 HG21 VAL B 64 6.225 5.610 -7.432 1.00 0.30 H new ATOM 0 HG22 VAL B 64 5.193 6.866 -8.157 1.00 0.30 H new ATOM 0 HG23 VAL B 64 6.168 5.804 -9.200 1.00 0.30 H new ATOM 2654 N VAL B 65 6.870 10.615 -8.500 1.00 0.29 N ATOM 2655 CA VAL B 65 6.120 11.808 -8.121 1.00 0.33 C ATOM 2656 C VAL B 65 5.534 12.462 -9.370 1.00 0.37 C ATOM 2657 O VAL B 65 4.470 13.079 -9.329 1.00 0.45 O ATOM 2658 CB VAL B 65 7.010 12.826 -7.366 1.00 0.40 C ATOM 2659 CG1 VAL B 65 6.223 14.072 -6.990 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.612 12.193 -6.123 1.00 0.39 C ATOM 0 H VAL B 65 7.881 10.706 -8.400 1.00 0.29 H new ATOM 0 HA VAL B 65 5.318 11.503 -7.449 1.00 0.33 H new ATOM 0 HB VAL B 65 7.817 13.121 -8.036 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.874 14.768 -6.461 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.841 14.547 -7.893 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.389 13.795 -6.345 1.00 0.48 H new ATOM 0 HG21 VAL B 65 8.234 12.925 -5.607 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.813 11.863 -5.459 1.00 0.39 H new ATOM 0 HG23 VAL B 65 8.222 11.336 -6.410 1.00 0.39 H new ATOM 2670 N LYS B 66 6.234 12.302 -10.487 1.00 0.37 N ATOM 2671 CA LYS B 66 5.791 12.859 -11.759 1.00 0.45 C ATOM 2672 C LYS B 66 4.728 11.963 -12.379 1.00 0.41 C ATOM 2673 O LYS B 66 3.816 12.435 -13.057 1.00 0.49 O ATOM 2674 CB LYS B 66 6.969 12.998 -12.721 1.00 0.57 C ATOM 2675 CG LYS B 66 8.087 13.874 -12.190 1.00 0.74 C ATOM 2676 CD LYS B 66 9.397 13.601 -12.911 1.00 0.67 C ATOM 2677 CE LYS B 66 9.327 14.005 -14.374 1.00 1.44 C ATOM 2678 NZ LYS B 66 10.599 13.720 -15.085 1.00 2.19 N ATOM 0 H LYS B 66 7.114 11.789 -10.537 1.00 0.37 H new ATOM 0 HA LYS B 66 5.368 13.846 -11.574 1.00 0.45 H new ATOM 0 HB2 LYS B 66 7.368 12.007 -12.939 1.00 0.57 H new ATOM 0 HB3 LYS B 66 6.611 13.412 -13.663 1.00 0.57 H new ATOM 0 HG2 LYS B 66 7.817 14.923 -12.309 1.00 0.74 H new ATOM 0 HG3 LYS B 66 8.214 13.697 -11.122 1.00 0.74 H new ATOM 0 HD2 LYS B 66 10.203 14.147 -12.421 1.00 0.67 H new ATOM 0 HD3 LYS B 66 9.639 12.541 -12.837 1.00 0.67 H new ATOM 0 HE2 LYS B 66 8.511 13.471 -14.860 1.00 1.44 H new ATOM 0 HE3 LYS B 66 9.100 15.069 -14.447 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 10.513 14.009 -16.080 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 11.374 14.250 -14.637 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 10.803 12.701 -15.037 1.00 2.19 H new ATOM 2692 N LEU B 67 4.866 10.663 -12.147 1.00 0.39 N ATOM 2693 CA LEU B 67 3.920 9.687 -12.666 1.00 0.43 C ATOM 2694 C LEU B 67 2.569 9.846 -11.981 1.00 0.62 C ATOM 2695 O LEU B 67 1.532 9.869 -12.643 1.00 1.30 O ATOM 2696 CB LEU B 67 4.456 8.269 -12.462 1.00 0.59 C ATOM 2697 CG LEU B 67 5.724 7.936 -13.249 1.00 0.54 C ATOM 2698 CD1 LEU B 67 6.282 6.593 -12.809 1.00 0.74 C ATOM 2699 CD2 LEU B 67 5.440 7.932 -14.744 1.00 0.79 C ATOM 0 H LEU B 67 5.628 10.261 -11.600 1.00 0.39 H new ATOM 0 HA LEU B 67 3.791 9.860 -13.734 1.00 0.43 H new ATOM 0 HB2 LEU B 67 4.657 8.122 -11.401 1.00 0.59 H new ATOM 0 HB3 LEU B 67 3.677 7.559 -12.740 1.00 0.59 H new ATOM 0 HG LEU B 67 6.469 8.704 -13.044 1.00 0.54 H new ATOM 0 HD11 LEU B 67 7.184 6.370 -13.378 1.00 0.74 H new ATOM 0 HD12 LEU B 67 6.523 6.630 -11.747 1.00 0.74 H new ATOM 0 HD13 LEU B 67 5.540 5.815 -12.986 1.00 0.74 H new ATOM 0 HD21 LEU B 67 6.354 7.693 -15.287 1.00 0.79 H new ATOM 0 HD22 LEU B 67 4.679 7.184 -14.968 1.00 0.79 H new ATOM 0 HD23 LEU B 67 5.083 8.916 -15.049 1.00 0.79 H new ATOM 2711 N LYS B 68 2.608 9.972 -10.653 1.00 0.48 N ATOM 2712 CA LYS B 68 1.408 10.144 -9.830 1.00 0.55 C ATOM 2713 C LYS B 68 0.434 8.978 -9.986 1.00 0.47 C ATOM 2714 O LYS B 68 -0.366 8.931 -10.924 1.00 0.50 O ATOM 2715 CB LYS B 68 0.708 11.469 -10.150 1.00 0.69 C ATOM 2716 CG LYS B 68 1.358 12.672 -9.486 1.00 0.56 C ATOM 2717 CD LYS B 68 0.558 13.945 -9.714 1.00 0.67 C ATOM 2718 CE LYS B 68 1.078 15.089 -8.859 1.00 0.69 C ATOM 2719 NZ LYS B 68 0.401 16.374 -9.166 1.00 1.04 N ATOM 0 H LYS B 68 3.475 9.958 -10.116 1.00 0.48 H new ATOM 0 HA LYS B 68 1.736 10.163 -8.791 1.00 0.55 H new ATOM 0 HB2 LYS B 68 0.704 11.618 -11.230 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -0.333 11.407 -9.833 1.00 0.69 H new ATOM 0 HG2 LYS B 68 1.452 12.489 -8.416 1.00 0.56 H new ATOM 0 HG3 LYS B 68 2.367 12.802 -9.877 1.00 0.56 H new ATOM 0 HD2 LYS B 68 0.608 14.224 -10.767 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.491 13.763 -9.482 1.00 0.67 H new ATOM 0 HE2 LYS B 68 0.934 14.847 -7.806 1.00 0.69 H new ATOM 0 HE3 LYS B 68 2.151 15.199 -9.017 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 0.450 16.999 -8.336 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 0.873 16.831 -9.972 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.595 16.193 -9.405 1.00 1.04 H new ATOM 2733 N GLY B 69 0.507 8.036 -9.057 1.00 0.50 N ATOM 2734 CA GLY B 69 -0.377 6.887 -9.098 1.00 0.59 C ATOM 2735 C GLY B 69 0.088 5.848 -10.089 1.00 0.54 C ATOM 2736 O GLY B 69 -0.693 5.353 -10.900 1.00 0.57 O ATOM 0 H GLY B 69 1.162 8.046 -8.275 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -0.436 6.440 -8.106 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -1.383 7.213 -9.361 1.00 0.59 H new ATOM 2740 N GLN B 70 1.369 5.534 -10.030 1.00 0.50 N ATOM 2741 CA GLN B 70 1.963 4.547 -10.912 1.00 0.46 C ATOM 2742 C GLN B 70 2.956 3.708 -10.123 1.00 0.38 C ATOM 2743 O GLN B 70 3.717 4.240 -9.317 1.00 0.37 O ATOM 2744 CB GLN B 70 2.653 5.235 -12.094 1.00 0.50 C ATOM 2745 CG GLN B 70 3.164 4.275 -13.158 1.00 1.31 C ATOM 2746 CD GLN B 70 2.107 3.293 -13.622 1.00 1.89 C ATOM 2747 OE1 GLN B 70 2.001 2.184 -13.094 1.00 2.68 O ATOM 2748 NE2 GLN B 70 1.318 3.690 -14.607 1.00 2.32 N ATOM 0 H GLN B 70 2.025 5.954 -9.372 1.00 0.50 H new ATOM 0 HA GLN B 70 1.183 3.898 -11.311 1.00 0.46 H new ATOM 0 HB2 GLN B 70 1.953 5.932 -12.555 1.00 0.50 H new ATOM 0 HB3 GLN B 70 3.490 5.825 -11.720 1.00 0.50 H new ATOM 0 HG2 GLN B 70 3.523 4.847 -14.014 1.00 1.31 H new ATOM 0 HG3 GLN B 70 4.017 3.723 -12.763 1.00 1.31 H new ATOM 0 HE21 GLN B 70 1.440 4.616 -15.016 1.00 2.32 H new ATOM 0 HE22 GLN B 70 0.588 3.070 -14.957 1.00 2.32 H new ATOM 2757 N VAL B 71 2.932 2.402 -10.340 1.00 0.36 N ATOM 2758 CA VAL B 71 3.824 1.497 -9.634 1.00 0.32 C ATOM 2759 C VAL B 71 5.196 1.438 -10.313 1.00 0.31 C ATOM 2760 O VAL B 71 5.348 0.906 -11.417 1.00 0.39 O ATOM 2761 CB VAL B 71 3.213 0.076 -9.506 1.00 0.38 C ATOM 2762 CG1 VAL B 71 2.670 -0.416 -10.840 1.00 1.28 C ATOM 2763 CG2 VAL B 71 4.229 -0.905 -8.938 1.00 1.35 C ATOM 0 H VAL B 71 2.303 1.945 -11.001 1.00 0.36 H new ATOM 0 HA VAL B 71 3.957 1.892 -8.627 1.00 0.32 H new ATOM 0 HB VAL B 71 2.376 0.138 -8.810 1.00 0.38 H new ATOM 0 HG11 VAL B 71 2.249 -1.414 -10.716 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.894 0.264 -11.190 1.00 1.28 H new ATOM 0 HG13 VAL B 71 3.478 -0.451 -11.571 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.776 -1.893 -8.858 1.00 1.35 H new ATOM 0 HG22 VAL B 71 5.095 -0.955 -9.598 1.00 1.35 H new ATOM 0 HG23 VAL B 71 4.545 -0.570 -7.950 1.00 1.35 H new ATOM 2773 N LEU B 72 6.186 2.017 -9.654 1.00 0.27 N ATOM 2774 CA LEU B 72 7.546 2.037 -10.171 1.00 0.29 C ATOM 2775 C LEU B 72 8.459 1.222 -9.265 1.00 0.31 C ATOM 2776 O LEU B 72 8.817 1.659 -8.170 1.00 0.44 O ATOM 2777 CB LEU B 72 8.052 3.477 -10.280 1.00 0.35 C ATOM 2778 CG LEU B 72 9.237 3.675 -11.224 1.00 0.44 C ATOM 2779 CD1 LEU B 72 8.882 3.214 -12.629 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.670 5.133 -11.232 1.00 1.05 C ATOM 0 H LEU B 72 6.073 2.483 -8.754 1.00 0.27 H new ATOM 0 HA LEU B 72 7.551 1.593 -11.166 1.00 0.29 H new ATOM 0 HB2 LEU B 72 7.231 4.111 -10.614 1.00 0.35 H new ATOM 0 HB3 LEU B 72 8.337 3.822 -9.286 1.00 0.35 H new ATOM 0 HG LEU B 72 10.070 3.070 -10.866 1.00 0.44 H new ATOM 0 HD11 LEU B 72 9.738 3.362 -13.288 1.00 1.37 H new ATOM 0 HD12 LEU B 72 8.618 2.157 -12.609 1.00 1.37 H new ATOM 0 HD13 LEU B 72 8.035 3.792 -12.999 1.00 1.37 H new ATOM 0 HD21 LEU B 72 10.515 5.258 -11.909 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.841 5.757 -11.567 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.964 5.431 -10.226 1.00 1.05 H new ATOM 2792 N SER B 73 8.815 0.033 -9.718 1.00 0.27 N ATOM 2793 CA SER B 73 9.670 -0.855 -8.951 1.00 0.33 C ATOM 2794 C SER B 73 11.147 -0.591 -9.236 1.00 0.28 C ATOM 2795 O SER B 73 11.645 -0.880 -10.324 1.00 0.31 O ATOM 2796 CB SER B 73 9.325 -2.309 -9.271 1.00 0.48 C ATOM 2797 OG SER B 73 7.921 -2.500 -9.307 1.00 1.38 O ATOM 0 H SER B 73 8.522 -0.342 -10.620 1.00 0.27 H new ATOM 0 HA SER B 73 9.495 -0.664 -7.892 1.00 0.33 H new ATOM 0 HB2 SER B 73 9.758 -2.587 -10.232 1.00 0.48 H new ATOM 0 HB3 SER B 73 9.766 -2.965 -8.521 1.00 0.48 H new ATOM 0 HG SER B 73 7.724 -3.437 -9.515 1.00 1.38 H new ATOM 2803 N VAL B 74 11.838 -0.037 -8.253 1.00 0.29 N ATOM 2804 CA VAL B 74 13.259 0.256 -8.385 1.00 0.28 C ATOM 2805 C VAL B 74 14.090 -0.899 -7.826 1.00 0.23 C ATOM 2806 O VAL B 74 13.770 -1.456 -6.773 1.00 0.24 O ATOM 2807 CB VAL B 74 13.638 1.581 -7.673 1.00 0.34 C ATOM 2808 CG1 VAL B 74 13.245 1.551 -6.204 1.00 0.35 C ATOM 2809 CG2 VAL B 74 15.124 1.877 -7.824 1.00 0.41 C ATOM 0 H VAL B 74 11.437 0.220 -7.351 1.00 0.29 H new ATOM 0 HA VAL B 74 13.476 0.375 -9.446 1.00 0.28 H new ATOM 0 HB VAL B 74 13.079 2.384 -8.154 1.00 0.34 H new ATOM 0 HG11 VAL B 74 13.524 2.494 -5.733 1.00 0.35 H new ATOM 0 HG12 VAL B 74 12.168 1.407 -6.118 1.00 0.35 H new ATOM 0 HG13 VAL B 74 13.761 0.730 -5.706 1.00 0.35 H new ATOM 0 HG21 VAL B 74 15.362 2.811 -7.316 1.00 0.41 H new ATOM 0 HG22 VAL B 74 15.703 1.066 -7.383 1.00 0.41 H new ATOM 0 HG23 VAL B 74 15.372 1.966 -8.882 1.00 0.41 H new ATOM 2819 N MET B 75 15.137 -1.271 -8.546 1.00 0.21 N ATOM 2820 CA MET B 75 16.007 -2.360 -8.127 1.00 0.20 C ATOM 2821 C MET B 75 17.334 -1.810 -7.616 1.00 0.20 C ATOM 2822 O MET B 75 18.155 -1.316 -8.392 1.00 0.24 O ATOM 2823 CB MET B 75 16.253 -3.318 -9.293 1.00 0.26 C ATOM 2824 CG MET B 75 16.934 -4.614 -8.888 1.00 0.29 C ATOM 2825 SD MET B 75 15.896 -5.642 -7.831 1.00 0.41 S ATOM 2826 CE MET B 75 16.787 -7.194 -7.901 1.00 0.41 C ATOM 0 H MET B 75 15.406 -0.833 -9.427 1.00 0.21 H new ATOM 0 HA MET B 75 15.518 -2.905 -7.320 1.00 0.20 H new ATOM 0 HB2 MET B 75 15.299 -3.552 -9.766 1.00 0.26 H new ATOM 0 HB3 MET B 75 16.865 -2.815 -10.041 1.00 0.26 H new ATOM 0 HG2 MET B 75 17.202 -5.175 -9.784 1.00 0.29 H new ATOM 0 HG3 MET B 75 17.863 -4.384 -8.366 1.00 0.29 H new ATOM 0 HE1 MET B 75 16.685 -7.716 -6.949 1.00 0.41 H new ATOM 0 HE2 MET B 75 16.378 -7.813 -8.700 1.00 0.41 H new ATOM 0 HE3 MET B 75 17.842 -7.000 -8.097 1.00 0.41 H new ATOM 2836 N PHE B 76 17.533 -1.884 -6.311 1.00 0.21 N ATOM 2837 CA PHE B 76 18.756 -1.391 -5.696 1.00 0.23 C ATOM 2838 C PHE B 76 19.167 -2.299 -4.546 1.00 0.22 C ATOM 2839 O PHE B 76 18.455 -3.245 -4.209 1.00 0.21 O ATOM 2840 CB PHE B 76 18.562 0.048 -5.192 1.00 0.26 C ATOM 2841 CG PHE B 76 17.598 0.169 -4.039 1.00 0.27 C ATOM 2842 CD1 PHE B 76 16.229 0.126 -4.250 1.00 0.31 C ATOM 2843 CD2 PHE B 76 18.066 0.321 -2.742 1.00 0.31 C ATOM 2844 CE1 PHE B 76 15.348 0.232 -3.190 1.00 0.37 C ATOM 2845 CE2 PHE B 76 17.189 0.426 -1.680 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.827 0.382 -1.905 1.00 0.38 C ATOM 0 H PHE B 76 16.862 -2.282 -5.654 1.00 0.21 H new ATOM 0 HA PHE B 76 19.547 -1.392 -6.446 1.00 0.23 H new ATOM 0 HB2 PHE B 76 19.529 0.449 -4.888 1.00 0.26 H new ATOM 0 HB3 PHE B 76 18.206 0.666 -6.016 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.846 0.008 -5.253 1.00 0.31 H new ATOM 0 HD2 PHE B 76 19.130 0.358 -2.560 1.00 0.31 H new ATOM 0 HE1 PHE B 76 14.283 0.197 -3.368 1.00 0.37 H new ATOM 0 HE2 PHE B 76 17.568 0.542 -0.675 1.00 0.36 H new ATOM 0 HZ PHE B 76 15.139 0.465 -1.077 1.00 0.38 H new ATOM 2856 N ARG B 77 20.313 -2.014 -3.948 1.00 0.25 N ATOM 2857 CA ARG B 77 20.795 -2.806 -2.831 1.00 0.25 C ATOM 2858 C ARG B 77 20.508 -2.091 -1.517 1.00 0.23 C ATOM 2859 O ARG B 77 20.988 -0.982 -1.278 1.00 0.26 O ATOM 2860 CB ARG B 77 22.286 -3.105 -2.981 1.00 0.30 C ATOM 2861 CG ARG B 77 22.559 -4.487 -3.560 1.00 0.48 C ATOM 2862 CD ARG B 77 24.026 -4.682 -3.896 1.00 0.63 C ATOM 2863 NE ARG B 77 24.397 -4.000 -5.133 1.00 1.50 N ATOM 2864 CZ ARG B 77 25.642 -3.929 -5.603 1.00 1.87 C ATOM 2865 NH1 ARG B 77 26.645 -4.480 -4.934 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.881 -3.303 -6.744 1.00 2.97 N ATOM 0 H ARG B 77 20.924 -1.243 -4.217 1.00 0.25 H new ATOM 0 HA ARG B 77 20.266 -3.759 -2.825 1.00 0.25 H new ATOM 0 HB2 ARG B 77 22.739 -2.351 -3.625 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.767 -3.024 -2.006 1.00 0.30 H new ATOM 0 HG2 ARG B 77 22.246 -5.248 -2.845 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.959 -4.629 -4.459 1.00 0.48 H new ATOM 0 HD2 ARG B 77 24.639 -4.307 -3.077 1.00 0.63 H new ATOM 0 HD3 ARG B 77 24.238 -5.747 -3.991 1.00 0.63 H new ATOM 0 HE ARG B 77 23.657 -3.550 -5.671 1.00 1.50 H new ATOM 0 HH11 ARG B 77 26.467 -4.962 -4.053 1.00 1.59 H new ATOM 0 HH12 ARG B 77 27.595 -4.422 -5.300 1.00 1.59 H new ATOM 0 HH21 ARG B 77 25.113 -2.876 -7.262 1.00 2.97 H new ATOM 0 HH22 ARG B 77 26.833 -3.247 -7.106 1.00 2.97 H new ATOM 2880 N PHE B 78 19.706 -2.733 -0.681 1.00 0.24 N ATOM 2881 CA PHE B 78 19.317 -2.176 0.608 1.00 0.23 C ATOM 2882 C PHE B 78 20.139 -2.804 1.730 1.00 0.21 C ATOM 2883 O PHE B 78 20.497 -3.982 1.660 1.00 0.22 O ATOM 2884 CB PHE B 78 17.821 -2.428 0.840 1.00 0.27 C ATOM 2885 CG PHE B 78 17.222 -1.638 1.974 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.870 -0.307 1.801 1.00 0.34 C ATOM 2887 CD2 PHE B 78 17.001 -2.228 3.209 1.00 0.33 C ATOM 2888 CE1 PHE B 78 16.312 0.417 2.838 1.00 0.37 C ATOM 2889 CE2 PHE B 78 16.444 -1.508 4.249 1.00 0.37 C ATOM 2890 CZ PHE B 78 16.099 -0.184 4.064 1.00 0.33 C ATOM 0 H PHE B 78 19.307 -3.652 -0.875 1.00 0.24 H new ATOM 0 HA PHE B 78 19.507 -1.103 0.606 1.00 0.23 H new ATOM 0 HB2 PHE B 78 17.280 -2.192 -0.076 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.670 -3.490 1.035 1.00 0.27 H new ATOM 0 HD1 PHE B 78 17.034 0.169 0.845 1.00 0.34 H new ATOM 0 HD2 PHE B 78 17.268 -3.264 3.360 1.00 0.33 H new ATOM 0 HE1 PHE B 78 16.043 1.452 2.690 1.00 0.37 H new ATOM 0 HE2 PHE B 78 16.279 -1.981 5.206 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.664 0.381 4.875 1.00 0.33 H new ATOM 2900 N ARG B 79 20.440 -2.015 2.752 1.00 0.25 N ATOM 2901 CA ARG B 79 21.215 -2.494 3.889 1.00 0.26 C ATOM 2902 C ARG B 79 20.299 -3.151 4.914 1.00 0.26 C ATOM 2903 O ARG B 79 19.419 -2.501 5.478 1.00 0.36 O ATOM 2904 CB ARG B 79 21.979 -1.339 4.547 1.00 0.36 C ATOM 2905 CG ARG B 79 23.174 -1.786 5.373 1.00 0.33 C ATOM 2906 CD ARG B 79 23.868 -0.605 6.036 1.00 0.56 C ATOM 2907 NE ARG B 79 23.228 -0.227 7.298 1.00 1.04 N ATOM 2908 CZ ARG B 79 22.981 1.031 7.666 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.355 2.039 6.888 1.00 1.06 N ATOM 2910 NH2 ARG B 79 22.376 1.281 8.823 1.00 2.22 N ATOM 0 H ARG B 79 20.158 -1.037 2.817 1.00 0.25 H new ATOM 0 HA ARG B 79 21.933 -3.230 3.526 1.00 0.26 H new ATOM 0 HB2 ARG B 79 22.321 -0.654 3.772 1.00 0.36 H new ATOM 0 HB3 ARG B 79 21.295 -0.781 5.187 1.00 0.36 H new ATOM 0 HG2 ARG B 79 22.846 -2.492 6.136 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.882 -2.313 4.734 1.00 0.33 H new ATOM 0 HD2 ARG B 79 24.912 -0.856 6.221 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.860 0.247 5.357 1.00 0.56 H new ATOM 0 HE ARG B 79 22.954 -0.974 7.936 1.00 1.04 H new ATOM 0 HH11 ARG B 79 23.833 1.853 6.006 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.165 3.000 7.172 1.00 1.06 H new ATOM 0 HH21 ARG B 79 22.100 0.510 9.431 1.00 2.22 H new ATOM 0 HH22 ARG B 79 22.188 2.244 9.103 1.00 2.22 H new ATOM 2924 N SER B 80 20.496 -4.439 5.145 1.00 0.25 N ATOM 2925 CA SER B 80 19.688 -5.164 6.111 1.00 0.33 C ATOM 2926 C SER B 80 20.258 -4.984 7.513 1.00 0.32 C ATOM 2927 O SER B 80 21.223 -4.243 7.707 1.00 0.32 O ATOM 2928 CB SER B 80 19.649 -6.646 5.750 1.00 0.46 C ATOM 2929 OG SER B 80 20.943 -7.221 5.825 1.00 1.06 O ATOM 0 H SER B 80 21.207 -5.002 4.678 1.00 0.25 H new ATOM 0 HA SER B 80 18.673 -4.767 6.090 1.00 0.33 H new ATOM 0 HB2 SER B 80 18.974 -7.171 6.426 1.00 0.46 H new ATOM 0 HB3 SER B 80 19.250 -6.768 4.743 1.00 0.46 H new ATOM 0 HG SER B 80 20.873 -8.196 5.749 1.00 1.06 H new ATOM 2935 N LYS B 81 19.673 -5.676 8.487 1.00 0.35 N ATOM 2936 CA LYS B 81 20.131 -5.594 9.871 1.00 0.37 C ATOM 2937 C LYS B 81 21.516 -6.226 10.010 1.00 0.40 C ATOM 2938 O LYS B 81 22.195 -6.060 11.022 1.00 0.48 O ATOM 2939 CB LYS B 81 19.132 -6.293 10.798 1.00 0.41 C ATOM 2940 CG LYS B 81 19.286 -5.922 12.265 1.00 0.45 C ATOM 2941 CD LYS B 81 19.133 -4.426 12.481 1.00 0.47 C ATOM 2942 CE LYS B 81 19.501 -4.032 13.899 1.00 0.67 C ATOM 2943 NZ LYS B 81 19.585 -2.559 14.063 1.00 1.69 N ATOM 0 H LYS B 81 18.880 -6.301 8.343 1.00 0.35 H new ATOM 0 HA LYS B 81 20.199 -4.544 10.156 1.00 0.37 H new ATOM 0 HB2 LYS B 81 18.120 -6.048 10.476 1.00 0.41 H new ATOM 0 HB3 LYS B 81 19.247 -7.372 10.692 1.00 0.41 H new ATOM 0 HG2 LYS B 81 18.540 -6.454 12.856 1.00 0.45 H new ATOM 0 HG3 LYS B 81 20.264 -6.244 12.622 1.00 0.45 H new ATOM 0 HD2 LYS B 81 19.767 -3.888 11.776 1.00 0.47 H new ATOM 0 HD3 LYS B 81 18.104 -4.130 12.275 1.00 0.47 H new ATOM 0 HE2 LYS B 81 18.759 -4.432 14.590 1.00 0.67 H new ATOM 0 HE3 LYS B 81 20.458 -4.481 14.163 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 20.077 -2.336 14.952 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 20.111 -2.150 13.264 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 18.626 -2.157 14.088 1.00 1.69 H new ATOM 2957 N ASN B 82 21.926 -6.948 8.975 1.00 0.39 N ATOM 2958 CA ASN B 82 23.228 -7.602 8.955 1.00 0.45 C ATOM 2959 C ASN B 82 24.270 -6.654 8.376 1.00 0.43 C ATOM 2960 O ASN B 82 25.451 -6.996 8.274 1.00 0.50 O ATOM 2961 CB ASN B 82 23.177 -8.877 8.109 1.00 0.53 C ATOM 2962 CG ASN B 82 21.992 -9.761 8.441 1.00 0.95 C ATOM 2963 OD1 ASN B 82 21.586 -9.878 9.599 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.428 -10.388 7.424 1.00 0.81 N ATOM 0 H ASN B 82 21.371 -7.096 8.132 1.00 0.39 H new ATOM 0 HA ASN B 82 23.498 -7.867 9.977 1.00 0.45 H new ATOM 0 HB2 ASN B 82 23.136 -8.605 7.054 1.00 0.53 H new ATOM 0 HB3 ASN B 82 24.097 -9.442 8.257 1.00 0.53 H new ATOM 0 HD21 ASN B 82 20.625 -10.997 7.582 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.796 -10.263 6.481 1.00 0.81 H new ATOM 2971 N GLN B 83 23.805 -5.464 7.988 1.00 0.37 N ATOM 2972 CA GLN B 83 24.653 -4.426 7.401 1.00 0.40 C ATOM 2973 C GLN B 83 25.178 -4.859 6.034 1.00 0.37 C ATOM 2974 O GLN B 83 26.227 -4.403 5.579 1.00 0.46 O ATOM 2975 CB GLN B 83 25.804 -4.052 8.342 1.00 0.53 C ATOM 2976 CG GLN B 83 25.585 -2.737 9.081 1.00 0.63 C ATOM 2977 CD GLN B 83 24.242 -2.670 9.781 1.00 0.90 C ATOM 2978 OE1 GLN B 83 23.249 -2.210 9.212 1.00 1.62 O ATOM 2979 NE2 GLN B 83 24.204 -3.118 11.022 1.00 0.87 N ATOM 0 H GLN B 83 22.825 -5.193 8.073 1.00 0.37 H new ATOM 0 HA GLN B 83 24.041 -3.536 7.259 1.00 0.40 H new ATOM 0 HB2 GLN B 83 25.940 -4.851 9.071 1.00 0.53 H new ATOM 0 HB3 GLN B 83 26.727 -3.986 7.766 1.00 0.53 H new ATOM 0 HG2 GLN B 83 26.379 -2.602 9.816 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.662 -1.911 8.374 1.00 0.63 H new ATOM 0 HE21 GLN B 83 25.049 -3.491 11.456 1.00 0.87 H new ATOM 0 HE22 GLN B 83 23.330 -3.091 11.547 1.00 0.87 H new ATOM 2988 N GLU B 84 24.429 -5.738 5.379 1.00 0.37 N ATOM 2989 CA GLU B 84 24.792 -6.225 4.057 1.00 0.38 C ATOM 2990 C GLU B 84 23.907 -5.558 3.014 1.00 0.31 C ATOM 2991 O GLU B 84 22.841 -5.034 3.347 1.00 0.42 O ATOM 2992 CB GLU B 84 24.646 -7.748 3.982 1.00 0.53 C ATOM 2993 CG GLU B 84 23.204 -8.228 3.967 1.00 1.22 C ATOM 2994 CD GLU B 84 23.092 -9.734 3.985 1.00 2.08 C ATOM 2995 OE1 GLU B 84 23.509 -10.379 3.001 1.00 2.45 O ATOM 2996 OE2 GLU B 84 22.584 -10.282 4.984 1.00 2.78 O ATOM 0 H GLU B 84 23.561 -6.129 5.746 1.00 0.37 H new ATOM 0 HA GLU B 84 25.835 -5.976 3.861 1.00 0.38 H new ATOM 0 HB2 GLU B 84 25.148 -8.108 3.084 1.00 0.53 H new ATOM 0 HB3 GLU B 84 25.159 -8.195 4.834 1.00 0.53 H new ATOM 0 HG2 GLU B 84 22.680 -7.818 4.830 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.706 -7.841 3.078 1.00 1.22 H new ATOM 3003 N TRP B 85 24.337 -5.578 1.765 1.00 0.32 N ATOM 3004 CA TRP B 85 23.575 -4.963 0.692 1.00 0.33 C ATOM 3005 C TRP B 85 22.853 -6.028 -0.127 1.00 0.33 C ATOM 3006 O TRP B 85 23.470 -6.719 -0.936 1.00 0.45 O ATOM 3007 CB TRP B 85 24.503 -4.140 -0.209 1.00 0.41 C ATOM 3008 CG TRP B 85 25.313 -3.122 0.538 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.649 -3.178 0.820 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.837 -1.897 1.103 1.00 0.50 C ATOM 3011 NE1 TRP B 85 27.030 -2.060 1.521 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.936 -1.261 1.708 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.588 -1.275 1.155 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.822 -0.036 2.355 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.478 -0.060 1.799 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.588 0.550 2.390 1.00 0.97 C ATOM 0 H TRP B 85 25.210 -6.014 1.468 1.00 0.32 H new ATOM 0 HA TRP B 85 22.830 -4.299 1.130 1.00 0.33 H new ATOM 0 HB2 TRP B 85 25.178 -4.815 -0.735 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.905 -3.633 -0.966 1.00 0.41 H new ATOM 0 HD1 TRP B 85 27.309 -3.984 0.534 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.975 -1.859 1.849 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.724 -1.736 0.700 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.678 0.436 2.814 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.516 0.429 1.847 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.468 1.503 2.884 1.00 0.97 H new ATOM 3027 N LEU B 86 21.552 -6.165 0.090 1.00 0.28 N ATOM 3028 CA LEU B 86 20.759 -7.152 -0.636 1.00 0.29 C ATOM 3029 C LEU B 86 19.954 -6.489 -1.749 1.00 0.26 C ATOM 3030 O LEU B 86 19.628 -5.306 -1.666 1.00 0.28 O ATOM 3031 CB LEU B 86 19.828 -7.910 0.316 1.00 0.34 C ATOM 3032 CG LEU B 86 19.127 -7.057 1.378 1.00 0.42 C ATOM 3033 CD1 LEU B 86 17.837 -6.456 0.836 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.850 -7.888 2.619 1.00 1.03 C ATOM 0 H LEU B 86 21.023 -5.608 0.761 1.00 0.28 H new ATOM 0 HA LEU B 86 21.446 -7.867 -1.088 1.00 0.29 H new ATOM 0 HB2 LEU B 86 19.067 -8.417 -0.277 1.00 0.34 H new ATOM 0 HB3 LEU B 86 20.406 -8.683 0.821 1.00 0.34 H new ATOM 0 HG LEU B 86 19.790 -6.235 1.647 1.00 0.42 H new ATOM 0 HD11 LEU B 86 17.361 -5.856 1.612 1.00 0.96 H new ATOM 0 HD12 LEU B 86 18.063 -5.825 -0.024 1.00 0.96 H new ATOM 0 HD13 LEU B 86 17.162 -7.256 0.532 1.00 0.96 H new ATOM 0 HD21 LEU B 86 18.352 -7.271 3.366 1.00 1.03 H new ATOM 0 HD22 LEU B 86 18.209 -8.730 2.358 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.791 -8.261 3.025 1.00 1.03 H new ATOM 3046 N TRP B 87 19.627 -7.256 -2.778 1.00 0.28 N ATOM 3047 CA TRP B 87 18.867 -6.738 -3.908 1.00 0.29 C ATOM 3048 C TRP B 87 17.395 -6.617 -3.543 1.00 0.29 C ATOM 3049 O TRP B 87 16.705 -7.622 -3.343 1.00 0.39 O ATOM 3050 CB TRP B 87 19.046 -7.640 -5.130 1.00 0.33 C ATOM 3051 CG TRP B 87 20.462 -7.697 -5.612 1.00 0.38 C ATOM 3052 CD1 TRP B 87 21.423 -8.586 -5.224 1.00 0.47 C ATOM 3053 CD2 TRP B 87 21.081 -6.827 -6.568 1.00 0.40 C ATOM 3054 NE1 TRP B 87 22.602 -8.322 -5.876 1.00 0.53 N ATOM 3055 CE2 TRP B 87 22.417 -7.248 -6.709 1.00 0.48 C ATOM 3056 CE3 TRP B 87 20.634 -5.737 -7.322 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 23.310 -6.614 -7.567 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 21.523 -5.108 -8.174 1.00 0.50 C ATOM 3059 CH2 TRP B 87 22.846 -5.550 -8.292 1.00 0.53 C ATOM 0 H TRP B 87 19.876 -8.242 -2.855 1.00 0.28 H new ATOM 0 HA TRP B 87 19.244 -5.746 -4.156 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.711 -8.648 -4.883 1.00 0.33 H new ATOM 0 HB3 TRP B 87 18.407 -7.280 -5.937 1.00 0.33 H new ATOM 0 HD1 TRP B 87 21.277 -9.381 -4.508 1.00 0.47 H new ATOM 0 HE1 TRP B 87 23.473 -8.840 -5.760 1.00 0.53 H new ATOM 0 HE3 TRP B 87 19.613 -5.393 -7.240 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 24.333 -6.949 -7.658 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 21.191 -4.262 -8.758 1.00 0.50 H new ATOM 0 HH2 TRP B 87 23.515 -5.040 -8.970 1.00 0.53 H new ATOM 3070 N MET B 88 16.923 -5.386 -3.455 1.00 0.31 N ATOM 3071 CA MET B 88 15.543 -5.121 -3.095 1.00 0.39 C ATOM 3072 C MET B 88 14.810 -4.383 -4.209 1.00 0.37 C ATOM 3073 O MET B 88 15.256 -3.332 -4.674 1.00 0.40 O ATOM 3074 CB MET B 88 15.492 -4.297 -1.804 1.00 0.52 C ATOM 3075 CG MET B 88 14.086 -3.896 -1.383 1.00 0.73 C ATOM 3076 SD MET B 88 13.391 -4.997 -0.135 1.00 1.53 S ATOM 3077 CE MET B 88 14.348 -4.523 1.303 1.00 0.91 C ATOM 0 H MET B 88 17.480 -4.550 -3.629 1.00 0.31 H new ATOM 0 HA MET B 88 15.045 -6.078 -2.939 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.951 -4.871 -1.000 1.00 0.52 H new ATOM 0 HB3 MET B 88 16.092 -3.397 -1.936 1.00 0.52 H new ATOM 0 HG2 MET B 88 14.104 -2.878 -0.994 1.00 0.73 H new ATOM 0 HG3 MET B 88 13.437 -3.891 -2.259 1.00 0.73 H new ATOM 0 HE1 MET B 88 14.979 -5.357 1.611 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.974 -3.665 1.057 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.674 -4.258 2.118 1.00 0.91 H new ATOM 3087 N ARG B 89 13.690 -4.947 -4.632 1.00 0.36 N ATOM 3088 CA ARG B 89 12.863 -4.344 -5.661 1.00 0.37 C ATOM 3089 C ARG B 89 11.723 -3.607 -4.978 1.00 0.36 C ATOM 3090 O ARG B 89 10.775 -4.224 -4.496 1.00 0.42 O ATOM 3091 CB ARG B 89 12.315 -5.413 -6.608 1.00 0.44 C ATOM 3092 CG ARG B 89 11.685 -4.854 -7.876 1.00 0.58 C ATOM 3093 CD ARG B 89 12.736 -4.490 -8.910 1.00 0.97 C ATOM 3094 NE ARG B 89 12.143 -4.089 -10.187 1.00 2.01 N ATOM 3095 CZ ARG B 89 12.638 -4.424 -11.377 1.00 2.63 C ATOM 3096 NH1 ARG B 89 13.698 -5.221 -11.458 1.00 2.41 N ATOM 3097 NH2 ARG B 89 12.061 -3.981 -12.486 1.00 3.80 N ATOM 0 H ARG B 89 13.331 -5.832 -4.273 1.00 0.36 H new ATOM 0 HA ARG B 89 13.457 -3.650 -6.256 1.00 0.37 H new ATOM 0 HB2 ARG B 89 13.125 -6.088 -6.884 1.00 0.44 H new ATOM 0 HB3 ARG B 89 11.572 -6.007 -6.077 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.999 -5.589 -8.297 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.094 -3.971 -7.631 1.00 0.58 H new ATOM 0 HD2 ARG B 89 13.353 -3.677 -8.527 1.00 0.97 H new ATOM 0 HD3 ARG B 89 13.396 -5.343 -9.070 1.00 0.97 H new ATOM 0 HE ARG B 89 11.298 -3.518 -10.164 1.00 2.01 H new ATOM 0 HH11 ARG B 89 14.134 -5.578 -10.608 1.00 2.41 H new ATOM 0 HH12 ARG B 89 14.076 -5.476 -12.371 1.00 2.41 H new ATOM 0 HH21 ARG B 89 11.237 -3.383 -12.428 1.00 3.80 H new ATOM 0 HH22 ARG B 89 12.441 -4.239 -13.397 1.00 3.80 H new ATOM 3111 N THR B 90 11.829 -2.294 -4.920 1.00 0.33 N ATOM 3112 CA THR B 90 10.825 -1.485 -4.254 1.00 0.34 C ATOM 3113 C THR B 90 9.833 -0.864 -5.233 1.00 0.31 C ATOM 3114 O THR B 90 10.172 0.056 -5.978 1.00 0.34 O ATOM 3115 CB THR B 90 11.496 -0.373 -3.430 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.487 -0.949 -2.570 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.473 0.390 -2.602 1.00 0.43 C ATOM 0 H THR B 90 12.600 -1.764 -5.326 1.00 0.33 H new ATOM 0 HA THR B 90 10.268 -2.152 -3.596 1.00 0.34 H new ATOM 0 HB THR B 90 11.967 0.330 -4.117 1.00 0.38 H new ATOM 0 HG1 THR B 90 12.803 -0.272 -1.936 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.976 1.170 -2.030 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.735 0.844 -3.264 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.973 -0.296 -1.918 1.00 0.43 H new ATOM 3125 N SER B 91 8.615 -1.386 -5.234 1.00 0.28 N ATOM 3126 CA SER B 91 7.557 -0.869 -6.088 1.00 0.27 C ATOM 3127 C SER B 91 6.920 0.352 -5.430 1.00 0.23 C ATOM 3128 O SER B 91 6.114 0.224 -4.513 1.00 0.28 O ATOM 3129 CB SER B 91 6.504 -1.952 -6.340 1.00 0.36 C ATOM 3130 OG SER B 91 7.109 -3.151 -6.803 1.00 0.97 O ATOM 0 H SER B 91 8.334 -2.173 -4.648 1.00 0.28 H new ATOM 0 HA SER B 91 7.981 -0.574 -7.048 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.953 -2.150 -5.421 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.781 -1.598 -7.075 1.00 0.36 H new ATOM 0 HG SER B 91 7.397 -3.034 -7.732 1.00 0.97 H new ATOM 3136 N SER B 92 7.303 1.531 -5.881 1.00 0.23 N ATOM 3137 CA SER B 92 6.776 2.764 -5.320 1.00 0.28 C ATOM 3138 C SER B 92 5.468 3.165 -5.998 1.00 0.26 C ATOM 3139 O SER B 92 5.349 3.099 -7.221 1.00 0.36 O ATOM 3140 CB SER B 92 7.811 3.878 -5.459 1.00 0.36 C ATOM 3141 OG SER B 92 9.045 3.495 -4.874 1.00 1.27 O ATOM 0 H SER B 92 7.977 1.663 -6.635 1.00 0.23 H new ATOM 0 HA SER B 92 6.565 2.599 -4.263 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.960 4.112 -6.513 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.442 4.785 -4.980 1.00 0.36 H new ATOM 0 HG SER B 92 9.736 4.148 -5.112 1.00 1.27 H new ATOM 3147 N PHE B 93 4.493 3.559 -5.191 1.00 0.25 N ATOM 3148 CA PHE B 93 3.192 3.982 -5.688 1.00 0.27 C ATOM 3149 C PHE B 93 2.795 5.301 -5.032 1.00 0.25 C ATOM 3150 O PHE B 93 2.549 5.360 -3.827 1.00 0.25 O ATOM 3151 CB PHE B 93 2.138 2.906 -5.404 1.00 0.33 C ATOM 3152 CG PHE B 93 0.829 3.122 -6.117 1.00 0.37 C ATOM 3153 CD1 PHE B 93 0.673 2.738 -7.440 1.00 0.47 C ATOM 3154 CD2 PHE B 93 -0.247 3.697 -5.460 1.00 0.35 C ATOM 3155 CE1 PHE B 93 -0.531 2.928 -8.093 1.00 0.54 C ATOM 3156 CE2 PHE B 93 -1.452 3.888 -6.107 1.00 0.41 C ATOM 3157 CZ PHE B 93 -1.596 3.502 -7.425 1.00 0.50 C ATOM 0 H PHE B 93 4.581 3.594 -4.175 1.00 0.25 H new ATOM 0 HA PHE B 93 3.253 4.126 -6.767 1.00 0.27 H new ATOM 0 HB2 PHE B 93 2.540 1.935 -5.692 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.953 2.869 -4.331 1.00 0.33 H new ATOM 0 HD1 PHE B 93 1.501 2.286 -7.966 1.00 0.47 H new ATOM 0 HD2 PHE B 93 -0.142 4.000 -4.429 1.00 0.35 H new ATOM 0 HE1 PHE B 93 -0.639 2.628 -9.125 1.00 0.54 H new ATOM 0 HE2 PHE B 93 -2.281 4.339 -5.582 1.00 0.41 H new ATOM 0 HZ PHE B 93 -2.538 3.648 -7.932 1.00 0.50 H new ATOM 3167 N THR B 94 2.764 6.359 -5.822 1.00 0.30 N ATOM 3168 CA THR B 94 2.410 7.678 -5.324 1.00 0.31 C ATOM 3169 C THR B 94 0.924 7.767 -4.975 1.00 0.33 C ATOM 3170 O THR B 94 0.068 7.372 -5.769 1.00 0.37 O ATOM 3171 CB THR B 94 2.758 8.748 -6.368 1.00 0.38 C ATOM 3172 OG1 THR B 94 3.089 8.113 -7.616 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.924 9.604 -5.896 1.00 0.37 C ATOM 0 H THR B 94 2.981 6.331 -6.818 1.00 0.30 H new ATOM 0 HA THR B 94 2.984 7.852 -4.414 1.00 0.31 H new ATOM 0 HB THR B 94 1.892 9.396 -6.506 1.00 0.38 H new ATOM 0 HG1 THR B 94 3.691 8.693 -8.129 1.00 0.59 H new ATOM 0 HG21 THR B 94 4.153 10.355 -6.652 1.00 0.37 H new ATOM 0 HG22 THR B 94 3.658 10.098 -4.962 1.00 0.37 H new ATOM 0 HG23 THR B 94 4.798 8.972 -5.736 1.00 0.37 H new ATOM 3181 N PHE B 95 0.629 8.283 -3.786 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.747 8.422 -3.326 1.00 0.41 C ATOM 3183 C PHE B 95 -1.211 9.872 -3.460 1.00 0.45 C ATOM 3184 O PHE B 95 -0.653 10.775 -2.832 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.853 7.962 -1.867 1.00 0.48 C ATOM 3186 CG PHE B 95 -2.260 7.804 -1.365 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.943 8.878 -0.816 1.00 0.91 C ATOM 3188 CD2 PHE B 95 -2.895 6.575 -1.432 1.00 0.95 C ATOM 3189 CE1 PHE B 95 -4.233 8.730 -0.346 1.00 0.98 C ATOM 3190 CE2 PHE B 95 -4.185 6.421 -0.963 1.00 1.03 C ATOM 3191 CZ PHE B 95 -4.854 7.499 -0.420 1.00 0.78 C ATOM 0 H PHE B 95 1.329 8.613 -3.121 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.392 7.798 -3.945 1.00 0.41 H new ATOM 0 HB2 PHE B 95 -0.334 7.010 -1.761 1.00 0.48 H new ATOM 0 HB3 PHE B 95 -0.333 8.681 -1.234 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -2.460 9.842 -0.755 1.00 0.91 H new ATOM 0 HD2 PHE B 95 -2.376 5.728 -1.856 1.00 0.95 H new ATOM 0 HE1 PHE B 95 -4.755 9.575 0.078 1.00 0.98 H new ATOM 0 HE2 PHE B 95 -4.670 5.458 -1.021 1.00 1.03 H new ATOM 0 HZ PHE B 95 -5.863 7.380 -0.053 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.229 10.087 -4.283 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.773 11.420 -4.506 1.00 0.56 C ATOM 3203 C GLN B 96 -4.211 11.500 -4.022 1.00 0.63 C ATOM 3204 O GLN B 96 -4.983 10.550 -4.180 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.737 11.791 -5.993 1.00 0.60 C ATOM 3206 CG GLN B 96 -1.344 12.046 -6.547 1.00 0.74 C ATOM 3207 CD GLN B 96 -0.563 10.773 -6.788 1.00 0.88 C ATOM 3208 OE1 GLN B 96 0.662 10.759 -6.700 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -1.266 9.697 -7.103 1.00 0.91 N ATOM 0 H GLN B 96 -2.697 9.350 -4.810 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.154 12.119 -3.944 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -3.200 10.988 -6.566 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -3.344 12.683 -6.146 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -1.427 12.598 -7.483 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.792 12.678 -5.851 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -2.283 9.752 -7.165 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -0.791 8.812 -7.283 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.568 12.631 -3.437 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.925 12.845 -2.959 1.00 0.91 C ATOM 3220 C ASN B 97 -6.787 13.347 -4.109 1.00 0.97 C ATOM 3221 O ASN B 97 -6.349 14.186 -4.896 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.959 13.861 -1.814 1.00 1.06 C ATOM 3223 CG ASN B 97 -5.333 13.348 -0.534 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -5.384 12.156 -0.231 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -4.753 14.252 0.236 1.00 1.65 N ATOM 0 H ASN B 97 -3.936 13.417 -3.281 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.311 11.898 -2.583 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.439 14.766 -2.126 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -6.994 14.140 -1.617 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -4.326 13.972 1.119 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -4.733 15.230 -0.052 1.00 1.65 H new ATOM 3232 N PRO B 98 -8.024 12.847 -4.227 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.940 13.247 -5.297 1.00 1.28 C ATOM 3234 C PRO B 98 -9.618 14.584 -5.016 1.00 1.35 C ATOM 3235 O PRO B 98 -10.764 14.807 -5.409 1.00 1.41 O ATOM 3236 CB PRO B 98 -9.967 12.118 -5.297 1.00 1.50 C ATOM 3237 CG PRO B 98 -10.026 11.675 -3.877 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.632 11.846 -3.330 1.00 1.26 C ATOM 0 HA PRO B 98 -8.428 13.389 -6.249 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -10.940 12.465 -5.646 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -9.664 11.304 -5.955 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.743 12.271 -3.312 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.348 10.636 -3.805 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.647 12.192 -2.296 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -8.078 10.907 -3.344 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.903 15.478 -4.351 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.447 16.782 -4.008 1.00 1.52 C ATOM 3248 C TYR B 99 -8.678 17.892 -4.709 1.00 1.54 C ATOM 3249 O TYR B 99 -9.220 18.581 -5.572 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.412 16.983 -2.494 1.00 1.68 C ATOM 3251 CG TYR B 99 -10.043 15.843 -1.727 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.422 15.673 -1.706 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -9.258 14.929 -1.034 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -12.000 14.626 -1.016 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -9.828 13.879 -0.343 1.00 2.10 C ATOM 3256 CZ TYR B 99 -11.199 13.732 -0.336 1.00 2.50 C ATOM 3257 OH TYR B 99 -11.771 12.686 0.351 1.00 2.90 O ATOM 0 H TYR B 99 -7.944 15.324 -4.038 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.483 16.823 -4.346 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.377 17.099 -2.173 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -9.929 17.910 -2.245 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -12.052 16.371 -2.238 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -8.184 15.042 -1.036 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -13.073 14.508 -1.009 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -9.204 13.177 0.189 1.00 2.10 H new ATOM 0 HH TYR B 99 -11.390 12.640 1.253 1.00 2.90 H new ATOM 3267 N SER B 100 -7.420 18.058 -4.343 1.00 1.37 N ATOM 3268 CA SER B 100 -6.581 19.082 -4.941 1.00 1.42 C ATOM 3269 C SER B 100 -5.366 18.444 -5.606 1.00 1.24 C ATOM 3270 O SER B 100 -4.409 19.135 -5.964 1.00 1.29 O ATOM 3271 CB SER B 100 -6.136 20.083 -3.872 1.00 1.52 C ATOM 3272 OG SER B 100 -7.221 20.457 -3.035 1.00 2.27 O ATOM 0 H SER B 100 -6.955 17.494 -3.631 1.00 1.37 H new ATOM 0 HA SER B 100 -7.156 19.611 -5.701 1.00 1.42 H new ATOM 0 HB2 SER B 100 -5.342 19.645 -3.268 1.00 1.52 H new ATOM 0 HB3 SER B 100 -5.720 20.970 -4.351 1.00 1.52 H new ATOM 0 HG SER B 100 -6.909 21.095 -2.360 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.417 17.117 -5.756 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.335 16.348 -6.376 1.00 0.96 C ATOM 3280 C ASP B 101 -3.057 16.465 -5.547 1.00 0.87 C ATOM 3281 O ASP B 101 -1.953 16.580 -6.080 1.00 0.91 O ATOM 3282 CB ASP B 101 -4.099 16.820 -7.819 1.00 1.15 C ATOM 3283 CG ASP B 101 -3.284 15.837 -8.637 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.701 14.668 -8.757 1.00 2.06 O ATOM 3285 OD2 ASP B 101 -2.229 16.232 -9.177 1.00 1.27 O ATOM 0 H ASP B 101 -6.207 16.548 -5.452 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.626 15.298 -6.407 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -5.061 16.979 -8.305 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.587 17.782 -7.802 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.221 16.437 -4.230 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.094 16.551 -3.313 1.00 0.85 C ATOM 3292 C GLU B 102 -1.486 15.187 -3.014 1.00 0.72 C ATOM 3293 O GLU B 102 -2.202 14.193 -2.877 1.00 0.72 O ATOM 3294 CB GLU B 102 -2.522 17.214 -1.995 1.00 1.03 C ATOM 3295 CG GLU B 102 -3.806 18.026 -2.085 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.045 17.192 -1.824 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.388 16.983 -0.640 1.00 1.82 O ATOM 3298 OE2 GLU B 102 -5.679 16.743 -2.802 1.00 2.51 O ATOM 0 H GLU B 102 -4.127 16.336 -3.772 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.344 17.174 -3.801 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -2.649 16.440 -1.238 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -1.718 17.866 -1.653 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -3.765 18.844 -1.365 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.878 18.476 -3.075 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.163 15.146 -2.932 1.00 0.68 N ATOM 3306 CA ILE B 103 0.551 13.918 -2.617 1.00 0.59 C ATOM 3307 C ILE B 103 0.985 13.960 -1.160 1.00 0.61 C ATOM 3308 O ILE B 103 1.919 14.678 -0.798 1.00 0.74 O ATOM 3309 CB ILE B 103 1.795 13.715 -3.510 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.420 13.833 -4.989 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.431 12.361 -3.228 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.607 13.745 -5.923 1.00 0.99 C ATOM 0 H ILE B 103 0.440 15.955 -3.081 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.125 13.083 -2.801 1.00 0.59 H new ATOM 0 HB ILE B 103 2.520 14.495 -3.277 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.711 13.044 -5.240 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.910 14.783 -5.151 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.307 12.231 -3.864 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.732 12.311 -2.182 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.710 11.570 -3.436 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.266 13.836 -6.954 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.306 14.551 -5.699 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.105 12.785 -5.789 1.00 0.99 H new ATOM 3324 N GLU B 104 0.294 13.213 -0.319 1.00 0.54 N ATOM 3325 CA GLU B 104 0.611 13.197 1.099 1.00 0.59 C ATOM 3326 C GLU B 104 1.717 12.201 1.416 1.00 0.51 C ATOM 3327 O GLU B 104 2.653 12.520 2.151 1.00 0.56 O ATOM 3328 CB GLU B 104 -0.637 12.891 1.917 1.00 0.69 C ATOM 3329 CG GLU B 104 -1.666 14.005 1.859 1.00 0.85 C ATOM 3330 CD GLU B 104 -2.610 13.977 3.036 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -2.151 14.208 4.176 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -3.808 13.698 2.835 1.00 1.33 O ATOM 0 H GLU B 104 -0.485 12.613 -0.589 1.00 0.54 H new ATOM 0 HA GLU B 104 0.976 14.188 1.370 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -1.087 11.967 1.553 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -0.352 12.719 2.955 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -1.155 14.967 1.829 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -2.238 13.920 0.935 1.00 0.85 H new ATOM 3339 N TYR B 105 1.622 11.005 0.859 1.00 0.42 N ATOM 3340 CA TYR B 105 2.628 9.983 1.105 1.00 0.40 C ATOM 3341 C TYR B 105 2.782 9.072 -0.102 1.00 0.33 C ATOM 3342 O TYR B 105 1.945 9.066 -1.003 1.00 0.37 O ATOM 3343 CB TYR B 105 2.285 9.159 2.357 1.00 0.46 C ATOM 3344 CG TYR B 105 0.898 8.542 2.356 1.00 0.47 C ATOM 3345 CD1 TYR B 105 -0.199 9.249 2.836 1.00 0.59 C ATOM 3346 CD2 TYR B 105 0.689 7.247 1.892 1.00 0.45 C ATOM 3347 CE1 TYR B 105 -1.461 8.687 2.849 1.00 0.67 C ATOM 3348 CE2 TYR B 105 -0.572 6.680 1.904 1.00 0.55 C ATOM 3349 CZ TYR B 105 -1.642 7.404 2.384 1.00 0.65 C ATOM 3350 OH TYR B 105 -2.896 6.843 2.400 1.00 0.77 O ATOM 0 H TYR B 105 0.865 10.718 0.238 1.00 0.42 H new ATOM 0 HA TYR B 105 3.578 10.489 1.279 1.00 0.40 H new ATOM 0 HB2 TYR B 105 3.021 8.362 2.463 1.00 0.46 H new ATOM 0 HB3 TYR B 105 2.381 9.800 3.233 1.00 0.46 H new ATOM 0 HD1 TYR B 105 -0.062 10.255 3.205 1.00 0.59 H new ATOM 0 HD2 TYR B 105 1.525 6.676 1.517 1.00 0.45 H new ATOM 0 HE1 TYR B 105 -2.302 9.252 3.222 1.00 0.67 H new ATOM 0 HE2 TYR B 105 -0.718 5.674 1.539 1.00 0.55 H new ATOM 0 HH TYR B 105 -2.963 6.214 3.148 1.00 0.77 H new ATOM 3360 N ILE B 106 3.865 8.314 -0.114 1.00 0.26 N ATOM 3361 CA ILE B 106 4.150 7.390 -1.194 1.00 0.25 C ATOM 3362 C ILE B 106 4.226 5.970 -0.647 1.00 0.26 C ATOM 3363 O ILE B 106 4.960 5.701 0.310 1.00 0.28 O ATOM 3364 CB ILE B 106 5.484 7.729 -1.900 1.00 0.26 C ATOM 3365 CG1 ILE B 106 5.530 9.211 -2.284 1.00 0.31 C ATOM 3366 CG2 ILE B 106 5.675 6.854 -3.132 1.00 0.30 C ATOM 3367 CD1 ILE B 106 6.878 9.665 -2.804 1.00 0.36 C ATOM 0 H ILE B 106 4.569 8.323 0.624 1.00 0.26 H new ATOM 0 HA ILE B 106 3.344 7.475 -1.923 1.00 0.25 H new ATOM 0 HB ILE B 106 6.299 7.528 -1.205 1.00 0.26 H new ATOM 0 HG12 ILE B 106 4.774 9.403 -3.045 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.266 9.811 -1.413 1.00 0.31 H new ATOM 0 HG21 ILE B 106 6.619 7.107 -3.615 1.00 0.30 H new ATOM 0 HG22 ILE B 106 5.689 5.805 -2.835 1.00 0.30 H new ATOM 0 HG23 ILE B 106 4.854 7.023 -3.829 1.00 0.30 H new ATOM 0 HD11 ILE B 106 6.833 10.725 -3.055 1.00 0.36 H new ATOM 0 HD12 ILE B 106 7.636 9.506 -2.037 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.136 9.092 -3.694 1.00 0.36 H new ATOM 3379 N ILE B 107 3.459 5.075 -1.240 1.00 0.29 N ATOM 3380 CA ILE B 107 3.446 3.682 -0.829 1.00 0.34 C ATOM 3381 C ILE B 107 4.637 2.974 -1.461 1.00 0.40 C ATOM 3382 O ILE B 107 5.079 3.357 -2.545 1.00 0.52 O ATOM 3383 CB ILE B 107 2.134 2.991 -1.262 1.00 0.44 C ATOM 3384 CG1 ILE B 107 0.941 3.918 -1.007 1.00 0.46 C ATOM 3385 CG2 ILE B 107 1.952 1.672 -0.522 1.00 0.53 C ATOM 3386 CD1 ILE B 107 -0.304 3.530 -1.772 1.00 0.79 C ATOM 0 H ILE B 107 2.831 5.290 -2.015 1.00 0.29 H new ATOM 0 HA ILE B 107 3.511 3.630 0.258 1.00 0.34 H new ATOM 0 HB ILE B 107 2.190 2.778 -2.329 1.00 0.44 H new ATOM 0 HG12 ILE B 107 0.716 3.921 0.059 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.220 4.937 -1.276 1.00 0.46 H new ATOM 0 HG21 ILE B 107 1.022 1.201 -0.841 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.789 1.011 -0.746 1.00 0.53 H new ATOM 0 HG23 ILE B 107 1.914 1.859 0.551 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -1.106 4.231 -1.541 1.00 0.79 H new ATOM 0 HD12 ILE B 107 -0.096 3.555 -2.842 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.608 2.523 -1.485 1.00 0.79 H new ATOM 3398 N CYS B 108 5.186 1.977 -0.789 1.00 0.39 N ATOM 3399 CA CYS B 108 6.329 1.269 -1.338 1.00 0.47 C ATOM 3400 C CYS B 108 6.278 -0.227 -1.056 1.00 0.37 C ATOM 3401 O CYS B 108 6.170 -0.661 0.093 1.00 0.43 O ATOM 3402 CB CYS B 108 7.633 1.861 -0.797 1.00 0.61 C ATOM 3403 SG CYS B 108 7.732 1.938 1.007 1.00 1.55 S ATOM 0 H CYS B 108 4.866 1.644 0.121 1.00 0.39 H new ATOM 0 HA CYS B 108 6.292 1.396 -2.420 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.468 1.267 -1.169 1.00 0.61 H new ATOM 0 HB3 CYS B 108 7.754 2.867 -1.198 1.00 0.61 H new ATOM 0 HG CYS B 108 8.425 0.930 1.447 1.00 1.55 H new ATOM 3409 N THR B 109 6.331 -0.998 -2.126 1.00 0.32 N ATOM 3410 CA THR B 109 6.349 -2.443 -2.047 1.00 0.29 C ATOM 3411 C THR B 109 7.797 -2.915 -2.012 1.00 0.26 C ATOM 3412 O THR B 109 8.406 -3.169 -3.052 1.00 0.27 O ATOM 3413 CB THR B 109 5.628 -3.070 -3.258 1.00 0.39 C ATOM 3414 OG1 THR B 109 4.300 -2.543 -3.355 1.00 0.48 O ATOM 3415 CG2 THR B 109 5.574 -4.587 -3.148 1.00 0.49 C ATOM 0 H THR B 109 6.363 -0.635 -3.079 1.00 0.32 H new ATOM 0 HA THR B 109 5.828 -2.756 -1.142 1.00 0.29 H new ATOM 0 HB THR B 109 6.192 -2.817 -4.156 1.00 0.39 H new ATOM 0 HG1 THR B 109 4.237 -1.957 -4.138 1.00 0.48 H new ATOM 0 HG21 THR B 109 5.060 -4.997 -4.017 1.00 0.49 H new ATOM 0 HG22 THR B 109 6.588 -4.985 -3.105 1.00 0.49 H new ATOM 0 HG23 THR B 109 5.036 -4.867 -2.242 1.00 0.49 H new ATOM 3423 N ASN B 110 8.363 -2.977 -0.820 1.00 0.35 N ATOM 3424 CA ASN B 110 9.744 -3.400 -0.656 1.00 0.40 C ATOM 3425 C ASN B 110 9.842 -4.918 -0.685 1.00 0.45 C ATOM 3426 O ASN B 110 9.624 -5.585 0.328 1.00 0.57 O ATOM 3427 CB ASN B 110 10.317 -2.866 0.658 1.00 0.53 C ATOM 3428 CG ASN B 110 10.365 -1.350 0.715 1.00 1.18 C ATOM 3429 OD1 ASN B 110 9.396 -0.698 1.106 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.495 -0.776 0.333 1.00 1.84 N ATOM 0 H ASN B 110 7.887 -2.740 0.051 1.00 0.35 H new ATOM 0 HA ASN B 110 10.325 -2.993 -1.483 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.714 -3.236 1.487 1.00 0.53 H new ATOM 0 HB3 ASN B 110 11.324 -3.261 0.795 1.00 0.53 H new ATOM 0 HD21 ASN B 110 11.584 0.240 0.357 1.00 1.84 H new ATOM 0 HD22 ASN B 110 12.276 -1.350 0.015 1.00 1.84 H new ATOM 3437 N THR B 111 10.145 -5.460 -1.854 1.00 0.39 N ATOM 3438 CA THR B 111 10.272 -6.895 -2.017 1.00 0.41 C ATOM 3439 C THR B 111 11.727 -7.301 -2.213 1.00 0.38 C ATOM 3440 O THR B 111 12.380 -6.862 -3.162 1.00 0.43 O ATOM 3441 CB THR B 111 9.462 -7.383 -3.227 1.00 0.45 C ATOM 3442 OG1 THR B 111 8.186 -6.733 -3.252 1.00 0.50 O ATOM 3443 CG2 THR B 111 9.273 -8.890 -3.177 1.00 0.52 C ATOM 0 H THR B 111 10.308 -4.923 -2.706 1.00 0.39 H new ATOM 0 HA THR B 111 9.887 -7.354 -1.107 1.00 0.41 H new ATOM 0 HB THR B 111 10.013 -7.134 -4.134 1.00 0.45 H new ATOM 0 HG1 THR B 111 8.094 -6.226 -4.085 1.00 0.50 H new ATOM 0 HG21 THR B 111 8.697 -9.213 -4.044 1.00 0.52 H new ATOM 0 HG22 THR B 111 10.247 -9.379 -3.186 1.00 0.52 H new ATOM 0 HG23 THR B 111 8.740 -9.160 -2.265 1.00 0.52 H new ATOM 3451 N ASN B 112 12.232 -8.137 -1.319 1.00 0.36 N ATOM 3452 CA ASN B 112 13.605 -8.606 -1.422 1.00 0.36 C ATOM 3453 C ASN B 112 13.700 -9.683 -2.491 1.00 0.34 C ATOM 3454 O ASN B 112 12.998 -10.694 -2.431 1.00 0.37 O ATOM 3455 CB ASN B 112 14.106 -9.151 -0.079 1.00 0.45 C ATOM 3456 CG ASN B 112 15.275 -10.111 -0.240 1.00 0.39 C ATOM 3457 OD1 ASN B 112 15.094 -11.331 -0.266 1.00 0.71 O ATOM 3458 ND2 ASN B 112 16.478 -9.570 -0.359 1.00 0.42 N ATOM 0 H ASN B 112 11.716 -8.503 -0.519 1.00 0.36 H new ATOM 0 HA ASN B 112 14.237 -7.762 -1.699 1.00 0.36 H new ATOM 0 HB2 ASN B 112 14.408 -8.319 0.557 1.00 0.45 H new ATOM 0 HB3 ASN B 112 13.288 -9.661 0.430 1.00 0.45 H new ATOM 0 HD21 ASN B 112 17.296 -10.167 -0.477 1.00 0.42 H new ATOM 0 HD22 ASN B 112 16.586 -8.556 -0.332 1.00 0.42 H new ATOM 3465 N VAL B 113 14.551 -9.456 -3.475 1.00 0.36 N ATOM 3466 CA VAL B 113 14.731 -10.414 -4.551 1.00 0.44 C ATOM 3467 C VAL B 113 15.910 -11.326 -4.245 1.00 0.50 C ATOM 3468 O VAL B 113 15.823 -12.544 -4.401 1.00 0.78 O ATOM 3469 CB VAL B 113 14.952 -9.712 -5.907 1.00 0.52 C ATOM 3470 CG1 VAL B 113 15.204 -10.730 -7.009 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.759 -8.833 -6.252 1.00 0.83 C ATOM 0 H VAL B 113 15.128 -8.618 -3.552 1.00 0.36 H new ATOM 0 HA VAL B 113 13.819 -11.006 -4.624 1.00 0.44 H new ATOM 0 HB VAL B 113 15.835 -9.078 -5.823 1.00 0.52 H new ATOM 0 HG11 VAL B 113 15.357 -10.211 -7.955 1.00 0.98 H new ATOM 0 HG12 VAL B 113 16.092 -11.315 -6.768 1.00 0.98 H new ATOM 0 HG13 VAL B 113 14.344 -11.394 -7.094 1.00 0.98 H new ATOM 0 HG21 VAL B 113 13.932 -8.345 -7.211 1.00 0.83 H new ATOM 0 HG22 VAL B 113 12.860 -9.447 -6.313 1.00 0.83 H new ATOM 0 HG23 VAL B 113 13.629 -8.076 -5.479 1.00 0.83 H new ATOM 3481 N LYS B 114 17.003 -10.730 -3.793 1.00 0.66 N ATOM 3482 CA LYS B 114 18.198 -11.484 -3.458 1.00 0.80 C ATOM 3483 C LYS B 114 18.954 -10.783 -2.335 1.00 0.96 C ATOM 3484 O LYS B 114 19.823 -9.941 -2.636 1.00 1.54 O ATOM 3485 CB LYS B 114 19.091 -11.651 -4.694 1.00 1.37 C ATOM 3486 CG LYS B 114 19.850 -12.971 -4.728 1.00 1.56 C ATOM 3487 CD LYS B 114 21.090 -12.931 -3.851 1.00 2.38 C ATOM 3488 CE LYS B 114 22.188 -12.084 -4.475 1.00 2.81 C ATOM 3489 NZ LYS B 114 23.280 -11.789 -3.511 1.00 3.21 N ATOM 3490 OXT LYS B 114 18.653 -11.058 -1.154 1.00 0.67 O ATOM 0 H LYS B 114 17.085 -9.723 -3.650 1.00 0.66 H new ATOM 0 HA LYS B 114 17.907 -12.477 -3.116 1.00 0.80 H new ATOM 0 HB2 LYS B 114 18.475 -11.574 -5.590 1.00 1.37 H new ATOM 0 HB3 LYS B 114 19.807 -10.830 -4.728 1.00 1.37 H new ATOM 0 HG2 LYS B 114 19.195 -13.776 -4.395 1.00 1.56 H new ATOM 0 HG3 LYS B 114 20.138 -13.199 -5.754 1.00 1.56 H new ATOM 0 HD2 LYS B 114 20.831 -12.529 -2.872 1.00 2.38 H new ATOM 0 HD3 LYS B 114 21.457 -13.945 -3.692 1.00 2.38 H new ATOM 0 HE2 LYS B 114 22.599 -12.604 -5.340 1.00 2.81 H new ATOM 0 HE3 LYS B 114 21.762 -11.148 -4.838 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 24.007 -11.210 -3.977 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 22.893 -11.270 -2.697 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 23.704 -12.680 -3.184 1.00 3.21 H new