USER MOD reduce.3.24.130724 H: found=0, std=0, add=1752, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 1754 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= 1.99 K(o=3.9,f=-16!) USER MOD Set 1.2: B 92 SER OG : rot -59:sc= 0.881 USER MOD Set 1.3: B 108 CYS SG : rot 105:sc= 1.05 USER MOD Set 2.1: B 88 MET CE :methyl -126:sc= -0.0775 (180deg=-1.42) USER MOD Set 2.2: B 90 THR OG1 : rot -76:sc= 1.16 USER MOD Set 2.3: B 110 ASN : amide:sc= 0.967 K(o=2,f=-0.46) USER MOD Set 3.1: B 35 TYR OH : rot 86:sc= 0.0865 USER MOD Set 3.2: B 83 GLN : amide:sc= 0.661 K(o=0.75,f=-5.2!) USER MOD Set 4.1: A 88 MET CE :methyl -139:sc= -0.553 (180deg=-1.62) USER MOD Set 4.2: A 90 THR OG1 : rot 137:sc= 1.42 USER MOD Set 4.3: A 110 ASN : amide:sc= -0.0529 K(o=0.82,f=-1.2) USER MOD Set 5.1: A 35 TYR OH : rot 83:sc= 2.34 USER MOD Set 5.2: A 83 GLN : amide:sc= 0.933 K(o=3.3,f=-0.91) USER MOD Set 6.1: A 14 SER OG : rot -45:sc= 0.635 USER MOD Set 6.2: A 16 HIS : no HE2:sc= 1.81 K(o=4.1,f=-16!) USER MOD Set 6.3: A 92 SER OG : rot -68:sc= 1.11 USER MOD Set 6.4: A 108 CYS SG : rot 124:sc= 0.553 USER MOD Set 7.1: A 8 GLN : amide:sc= 0.126 K(o=-0.5,f=-2.8!) USER MOD Set 7.2: B 70 GLN : amide:sc= -0.626 K(o=-0.5,f=-3!) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 17 ASN : amide:sc= -0.143 K(o=-0.14,f=-8.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00713 USER MOD Single : A 27 HIS : no HE2:sc= 1.05 K(o=1,f=-5!) USER MOD Single : A 29 CYS SG : rot 98:sc= 1.27 USER MOD Single : A 32 THR OG1 : rot 71:sc= 0.776 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.129 F(o=-1.8!,f=-0.13) USER MOD Single : A 38 GLN : amide:sc= 0.926 K(o=0.93,f=-6.6!) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.15) USER MOD Single : A 44 ASN : amide:sc= 0.144 X(o=0.14,f=0) USER MOD Single : A 49 CYS SG : rot 74:sc= 0.717 USER MOD Single : A 50 HIS : no HE2:sc= 0.496 K(o=0.5,f=-5.8!) USER MOD Single : A 54 GLN : amide:sc= -0.643 K(o=-0.64,f=-2.9!) USER MOD Single : A 55 GLN : amide:sc= -1.27 K(o=-1.3,f=-4.2!) USER MOD Single : A 60 SER OG : rot 107:sc= 1.23 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0805 F(o=-1.1,f=-0.08) USER MOD Single : A 63 GLN : amide:sc= 1.06 K(o=1.1,f=-1.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= 1.31 (180deg=1.26) USER MOD Single : A 70 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.5) USER MOD Single : A 73 SER OG : rot 180:sc= 0.103 USER MOD Single : A 75 MET CE :methyl 162:sc= -0.315 (180deg=-0.793) USER MOD Single : A 80 SER OG : rot 178:sc= 0.0331 USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 1.21 (180deg=1.07) USER MOD Single : A 82 ASN : amide:sc= 0.728 K(o=0.73,f=-0.37) USER MOD Single : A 91 SER OG : rot 73:sc= 1.23 USER MOD Single : A 94 THR OG1 : rot -131:sc= 1.59 USER MOD Single : A 96 GLN : amide:sc= -0.734 K(o=-0.73,f=-2.4!) USER MOD Single : A 97 ASN : amide:sc= -0.478 K(o=-0.48,f=-1.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot -72:sc= 0.967 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0614 USER MOD Single : A 111 THR OG1 : rot -107:sc= 1.23 USER MOD Single : A 112 ASN :FLIP amide:sc=-0.00799 F(o=-0.54,f=-0.008) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= -0.479 K(o=-0.48,f=-5.3!) USER MOD Single : B 10 THR OG1 : rot 82:sc= 0.0464 USER MOD Single : B 14 SER OG : rot 75:sc= 1.14 USER MOD Single : B 17 ASN : amide:sc= 0.255 K(o=0.26,f=-7.3!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : B 29 CYS SG : rot 82:sc= 0.916 USER MOD Single : B 32 THR OG1 : rot 78:sc= 1.29 USER MOD Single : B 36 GLN :FLIP amide:sc= -0.254 F(o=-2.7!,f=-0.25) USER MOD Single : B 38 GLN : amide:sc= -0.253 K(o=-0.25,f=-3.6!) USER MOD Single : B 43 LYS NZ :NH3+ 152:sc= 0.226 (180deg=-0.207!) USER MOD Single : B 44 ASN : amide:sc= 0.782 K(o=0.78,f=0.019) USER MOD Single : B 49 CYS SG : rot 75:sc= -0.166 USER MOD Single : B 50 HIS : no HE2:sc= -0.434 K(o=-0.43,f=-6!) USER MOD Single : B 54 GLN : amide:sc= -0.435 K(o=-0.43,f=-1.1) USER MOD Single : B 55 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 60 SER OG : rot 82:sc= 1.27 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.135 F(o=-1,f=-0.14) USER MOD Single : B 63 GLN : amide:sc=0.000693 X(o=0.00069,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 178:sc= 2.32 (180deg=2.25) USER MOD Single : B 73 SER OG : rot 150:sc= 0.0598 USER MOD Single : B 75 MET CE :methyl -167:sc= -0.812 (180deg=-0.987) USER MOD Single : B 80 SER OG : rot 180:sc= -0.504 USER MOD Single : B 81 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.22) USER MOD Single : B 82 ASN : amide:sc= 1.18 K(o=1.2,f=-0.56) USER MOD Single : B 91 SER OG : rot 77:sc= 0.237 USER MOD Single : B 94 THR OG1 : rot -142:sc= 1.49 USER MOD Single : B 96 GLN : amide:sc= 0.484 K(o=0.48,f=-2.6!) USER MOD Single : B 97 ASN : amide:sc= -1.99 K(o=-2,f=-2.9!) USER MOD Single : B 99 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 SER OG : rot 94:sc= 0.918 USER MOD Single : B 105 TYR OH : rot 30:sc= 0.901 USER MOD Single : B 109 THR OG1 : rot -101:sc= 1.25 USER MOD Single : B 111 THR OG1 : rot -98:sc= 0.572 USER MOD Single : B 112 ASN : amide:sc= 0.94 K(o=0.94,f=-0.0018) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 7 5.880 -1.663 -13.802 1.00 15.60 N ATOM 2 CA CYS A 7 4.902 -2.759 -13.643 1.00 14.69 C ATOM 3 C CYS A 7 3.852 -2.384 -12.610 1.00 14.16 C ATOM 4 O CYS A 7 4.166 -1.765 -11.593 1.00 14.28 O ATOM 5 CB CYS A 7 5.616 -4.041 -13.217 1.00 14.54 C ATOM 6 SG CYS A 7 6.878 -4.603 -14.383 1.00 15.21 S ATOM 0 HA CYS A 7 4.409 -2.927 -14.600 1.00 14.69 H new ATOM 0 HB2 CYS A 7 6.081 -3.880 -12.244 1.00 14.54 H new ATOM 0 HB3 CYS A 7 4.876 -4.831 -13.089 1.00 14.54 H new ATOM 0 HG CYS A 7 7.428 -5.692 -13.935 1.00 15.21 H new ATOM 12 N GLN A 8 2.608 -2.747 -12.882 1.00 13.72 N ATOM 13 CA GLN A 8 1.505 -2.462 -11.979 1.00 13.30 C ATOM 14 C GLN A 8 1.151 -3.719 -11.186 1.00 12.74 C ATOM 15 O GLN A 8 0.595 -4.667 -11.737 1.00 12.41 O ATOM 16 CB GLN A 8 0.278 -1.982 -12.762 1.00 13.55 C ATOM 17 CG GLN A 8 0.559 -0.844 -13.732 1.00 14.28 C ATOM 18 CD GLN A 8 0.696 0.505 -13.047 1.00 14.71 C ATOM 19 OE1 GLN A 8 0.137 0.731 -11.976 1.00 14.83 O ATOM 20 NE2 GLN A 8 1.427 1.414 -13.672 1.00 15.08 N ATOM 0 H GLN A 8 2.336 -3.245 -13.730 1.00 13.72 H new ATOM 0 HA GLN A 8 1.811 -1.672 -11.293 1.00 13.30 H new ATOM 0 HB2 GLN A 8 -0.136 -2.824 -13.318 1.00 13.55 H new ATOM 0 HB3 GLN A 8 -0.487 -1.660 -12.055 1.00 13.55 H new ATOM 0 HG2 GLN A 8 1.476 -1.061 -14.281 1.00 14.28 H new ATOM 0 HG3 GLN A 8 -0.246 -0.792 -14.465 1.00 14.28 H new ATOM 0 HE21 GLN A 8 1.875 1.186 -14.560 1.00 15.08 H new ATOM 0 HE22 GLN A 8 1.543 2.342 -13.266 1.00 15.08 H new ATOM 29 N PRO A 9 1.496 -3.756 -9.890 1.00 12.79 N ATOM 30 CA PRO A 9 1.207 -4.904 -9.024 1.00 12.47 C ATOM 31 C PRO A 9 -0.277 -5.013 -8.670 1.00 11.53 C ATOM 32 O PRO A 9 -1.043 -4.062 -8.844 1.00 11.34 O ATOM 33 CB PRO A 9 2.032 -4.627 -7.755 1.00 12.83 C ATOM 34 CG PRO A 9 2.908 -3.461 -8.085 1.00 13.43 C ATOM 35 CD PRO A 9 2.201 -2.697 -9.163 1.00 13.37 C ATOM 0 HA PRO A 9 1.457 -5.844 -9.515 1.00 12.47 H new ATOM 0 HB2 PRO A 9 1.383 -4.402 -6.908 1.00 12.83 H new ATOM 0 HB3 PRO A 9 2.627 -5.497 -7.478 1.00 12.83 H new ATOM 0 HG2 PRO A 9 3.070 -2.835 -7.207 1.00 13.43 H new ATOM 0 HG3 PRO A 9 3.889 -3.795 -8.424 1.00 13.43 H new ATOM 0 HD2 PRO A 9 1.512 -1.959 -8.752 1.00 13.37 H new ATOM 0 HD3 PRO A 9 2.899 -2.160 -9.805 1.00 13.37 H new ATOM 43 N THR A 10 -0.673 -6.174 -8.161 1.00 11.09 N ATOM 44 CA THR A 10 -2.055 -6.418 -7.773 1.00 10.34 C ATOM 45 C THR A 10 -2.335 -5.871 -6.375 1.00 9.71 C ATOM 46 O THR A 10 -2.845 -6.579 -5.503 1.00 9.71 O ATOM 47 CB THR A 10 -2.365 -7.925 -7.801 1.00 10.40 C ATOM 48 OG1 THR A 10 -1.141 -8.672 -7.702 1.00 11.09 O ATOM 49 CG2 THR A 10 -3.095 -8.306 -9.079 1.00 10.67 C ATOM 0 H THR A 10 -0.050 -6.966 -8.007 1.00 11.09 H new ATOM 0 HA THR A 10 -2.696 -5.903 -8.489 1.00 10.34 H new ATOM 0 HB THR A 10 -3.009 -8.160 -6.954 1.00 10.40 H new ATOM 0 HG1 THR A 10 -1.341 -9.631 -7.718 1.00 11.09 H new ATOM 0 HG21 THR A 10 -3.302 -9.376 -9.074 1.00 10.67 H new ATOM 0 HG22 THR A 10 -4.033 -7.755 -9.140 1.00 10.67 H new ATOM 0 HG23 THR A 10 -2.473 -8.061 -9.940 1.00 10.67 H new ATOM 57 N GLU A 11 -1.997 -4.609 -6.173 1.00 9.37 N ATOM 58 CA GLU A 11 -2.185 -3.950 -4.897 1.00 9.01 C ATOM 59 C GLU A 11 -2.269 -2.448 -5.110 1.00 8.63 C ATOM 60 O GLU A 11 -1.422 -1.869 -5.789 1.00 9.08 O ATOM 61 CB GLU A 11 -1.022 -4.289 -3.965 1.00 9.39 C ATOM 62 CG GLU A 11 -1.032 -3.522 -2.659 1.00 9.30 C ATOM 63 CD GLU A 11 0.138 -3.890 -1.781 1.00 10.28 C ATOM 64 OE1 GLU A 11 1.289 -3.613 -2.176 1.00 10.48 O ATOM 65 OE2 GLU A 11 -0.091 -4.466 -0.696 1.00 10.59 O ATOM 0 H GLU A 11 -1.584 -4.014 -6.891 1.00 9.37 H new ATOM 0 HA GLU A 11 -3.112 -4.296 -4.440 1.00 9.01 H new ATOM 0 HB2 GLU A 11 -1.045 -5.357 -3.747 1.00 9.39 H new ATOM 0 HB3 GLU A 11 -0.085 -4.089 -4.484 1.00 9.39 H new ATOM 0 HG2 GLU A 11 -1.008 -2.452 -2.866 1.00 9.30 H new ATOM 0 HG3 GLU A 11 -1.962 -3.723 -2.127 1.00 9.30 H new ATOM 72 N PHE A 12 -3.291 -1.820 -4.545 1.00 8.06 N ATOM 73 CA PHE A 12 -3.470 -0.385 -4.697 1.00 8.00 C ATOM 74 C PHE A 12 -4.049 0.242 -3.431 1.00 7.20 C ATOM 75 O PHE A 12 -4.858 -0.371 -2.734 1.00 6.96 O ATOM 76 CB PHE A 12 -4.371 -0.089 -5.906 1.00 8.48 C ATOM 77 CG PHE A 12 -5.819 -0.470 -5.730 1.00 7.99 C ATOM 78 CD1 PHE A 12 -6.247 -1.765 -5.977 1.00 8.45 C ATOM 79 CD2 PHE A 12 -6.756 0.475 -5.334 1.00 7.85 C ATOM 80 CE1 PHE A 12 -7.575 -2.112 -5.828 1.00 8.74 C ATOM 81 CE2 PHE A 12 -8.086 0.133 -5.185 1.00 8.21 C ATOM 82 CZ PHE A 12 -8.497 -1.161 -5.432 1.00 8.93 C ATOM 0 H PHE A 12 -4.005 -2.280 -3.980 1.00 8.06 H new ATOM 0 HA PHE A 12 -2.490 0.061 -4.868 1.00 8.00 H new ATOM 0 HB2 PHE A 12 -4.316 0.977 -6.129 1.00 8.48 H new ATOM 0 HB3 PHE A 12 -3.975 -0.617 -6.773 1.00 8.48 H new ATOM 0 HD1 PHE A 12 -5.533 -2.512 -6.290 1.00 8.45 H new ATOM 0 HD2 PHE A 12 -6.441 1.490 -5.140 1.00 7.85 H new ATOM 0 HE1 PHE A 12 -7.893 -3.126 -6.021 1.00 8.74 H new ATOM 0 HE2 PHE A 12 -8.804 0.878 -4.875 1.00 8.21 H new ATOM 0 HZ PHE A 12 -9.536 -1.430 -5.316 1.00 8.93 H new ATOM 92 N ILE A 13 -3.626 1.462 -3.136 1.00 7.08 N ATOM 93 CA ILE A 13 -4.110 2.173 -1.961 1.00 6.69 C ATOM 94 C ILE A 13 -5.297 3.053 -2.342 1.00 5.92 C ATOM 95 O ILE A 13 -5.174 3.960 -3.164 1.00 5.90 O ATOM 96 CB ILE A 13 -2.995 3.033 -1.308 1.00 7.52 C ATOM 97 CG1 ILE A 13 -2.022 2.147 -0.526 1.00 8.17 C ATOM 98 CG2 ILE A 13 -3.588 4.092 -0.386 1.00 7.63 C ATOM 99 CD1 ILE A 13 -0.984 1.461 -1.384 1.00 8.66 C ATOM 0 H ILE A 13 -2.948 1.981 -3.694 1.00 7.08 H new ATOM 0 HA ILE A 13 -4.425 1.431 -1.227 1.00 6.69 H new ATOM 0 HB ILE A 13 -2.452 3.537 -2.108 1.00 7.52 H new ATOM 0 HG12 ILE A 13 -1.514 2.756 0.222 1.00 8.17 H new ATOM 0 HG13 ILE A 13 -2.591 1.389 0.013 1.00 8.17 H new ATOM 0 HG21 ILE A 13 -2.784 4.680 0.058 1.00 7.63 H new ATOM 0 HG22 ILE A 13 -4.243 4.748 -0.959 1.00 7.63 H new ATOM 0 HG23 ILE A 13 -4.161 3.607 0.404 1.00 7.63 H new ATOM 0 HD11 ILE A 13 -0.335 0.853 -0.754 1.00 8.66 H new ATOM 0 HD12 ILE A 13 -1.480 0.823 -2.115 1.00 8.66 H new ATOM 0 HD13 ILE A 13 -0.387 2.211 -1.903 1.00 8.66 H new ATOM 111 N SER A 14 -6.447 2.774 -1.754 1.00 5.60 N ATOM 112 CA SER A 14 -7.644 3.536 -2.049 1.00 5.30 C ATOM 113 C SER A 14 -7.983 4.489 -0.906 1.00 5.64 C ATOM 114 O SER A 14 -8.149 4.075 0.244 1.00 6.11 O ATOM 115 CB SER A 14 -8.818 2.591 -2.332 1.00 5.40 C ATOM 116 OG SER A 14 -9.020 1.675 -1.268 1.00 5.67 O ATOM 0 H SER A 14 -6.576 2.027 -1.071 1.00 5.60 H new ATOM 0 HA SER A 14 -7.456 4.136 -2.939 1.00 5.30 H new ATOM 0 HB2 SER A 14 -9.726 3.174 -2.488 1.00 5.40 H new ATOM 0 HB3 SER A 14 -8.629 2.042 -3.255 1.00 5.40 H new ATOM 0 HG SER A 14 -8.157 1.303 -0.988 1.00 5.67 H new ATOM 122 N ARG A 15 -8.052 5.772 -1.223 1.00 5.77 N ATOM 123 CA ARG A 15 -8.392 6.785 -0.241 1.00 6.44 C ATOM 124 C ARG A 15 -9.872 7.104 -0.377 1.00 6.84 C ATOM 125 O ARG A 15 -10.281 7.791 -1.312 1.00 7.10 O ATOM 126 CB ARG A 15 -7.552 8.047 -0.454 1.00 6.76 C ATOM 127 CG ARG A 15 -6.055 7.798 -0.372 1.00 7.07 C ATOM 128 CD ARG A 15 -5.262 8.923 -1.019 1.00 7.39 C ATOM 129 NE ARG A 15 -4.661 9.828 -0.036 1.00 8.02 N ATOM 130 CZ ARG A 15 -3.375 10.182 -0.041 1.00 8.40 C ATOM 131 NH1 ARG A 15 -2.547 9.683 -0.949 1.00 8.31 N ATOM 132 NH2 ARG A 15 -2.916 11.034 0.867 1.00 9.09 N ATOM 0 H ARG A 15 -7.876 6.137 -2.159 1.00 5.77 H new ATOM 0 HA ARG A 15 -8.181 6.413 0.761 1.00 6.44 H new ATOM 0 HB2 ARG A 15 -7.789 8.472 -1.429 1.00 6.76 H new ATOM 0 HB3 ARG A 15 -7.830 8.790 0.293 1.00 6.76 H new ATOM 0 HG2 ARG A 15 -5.759 7.698 0.672 1.00 7.07 H new ATOM 0 HG3 ARG A 15 -5.815 6.855 -0.863 1.00 7.07 H new ATOM 0 HD2 ARG A 15 -4.476 8.496 -1.642 1.00 7.39 H new ATOM 0 HD3 ARG A 15 -5.918 9.492 -1.678 1.00 7.39 H new ATOM 0 HE ARG A 15 -5.261 10.210 0.695 1.00 8.02 H new ATOM 0 HH11 ARG A 15 -2.893 9.025 -1.648 1.00 8.31 H new ATOM 0 HH12 ARG A 15 -1.564 9.957 -0.949 1.00 8.31 H new ATOM 0 HH21 ARG A 15 -3.547 11.419 1.570 1.00 9.09 H new ATOM 0 HH22 ARG A 15 -1.932 11.304 0.862 1.00 9.09 H new ATOM 146 N HIS A 16 -10.675 6.578 0.532 1.00 7.25 N ATOM 147 CA HIS A 16 -12.117 6.791 0.484 1.00 8.00 C ATOM 148 C HIS A 16 -12.644 7.244 1.835 1.00 8.80 C ATOM 149 O HIS A 16 -12.057 6.929 2.869 1.00 9.25 O ATOM 150 CB HIS A 16 -12.836 5.506 0.046 1.00 7.87 C ATOM 151 CG HIS A 16 -12.694 4.357 1.002 1.00 8.55 C ATOM 152 ND1 HIS A 16 -13.391 4.268 2.191 1.00 8.91 N ATOM 153 CD2 HIS A 16 -11.929 3.244 0.936 1.00 9.13 C ATOM 154 CE1 HIS A 16 -13.059 3.153 2.809 1.00 9.65 C ATOM 155 NE2 HIS A 16 -12.174 2.514 2.072 1.00 9.79 N ATOM 0 H HIS A 16 -10.357 6.002 1.311 1.00 7.25 H new ATOM 0 HA HIS A 16 -12.316 7.575 -0.246 1.00 8.00 H new ATOM 0 HB2 HIS A 16 -13.896 5.724 -0.085 1.00 7.87 H new ATOM 0 HB3 HIS A 16 -12.450 5.202 -0.927 1.00 7.87 H new ATOM 0 HD1 HIS A 16 -14.058 4.958 2.537 1.00 8.91 H new ATOM 0 HD2 HIS A 16 -11.251 2.979 0.138 1.00 9.13 H new ATOM 0 HE1 HIS A 16 -13.447 2.819 3.760 1.00 9.65 H new ATOM 164 N ASN A 17 -13.757 7.964 1.824 1.00 9.21 N ATOM 165 CA ASN A 17 -14.363 8.447 3.060 1.00 10.20 C ATOM 166 C ASN A 17 -14.939 7.275 3.861 1.00 10.40 C ATOM 167 O ASN A 17 -14.953 6.137 3.379 1.00 10.47 O ATOM 168 CB ASN A 17 -15.433 9.515 2.762 1.00 11.03 C ATOM 169 CG ASN A 17 -16.811 8.952 2.457 1.00 11.85 C ATOM 170 OD1 ASN A 17 -16.956 7.854 1.922 1.00 11.82 O ATOM 171 ND2 ASN A 17 -17.840 9.710 2.799 1.00 12.69 N ATOM 0 H ASN A 17 -14.259 8.227 0.976 1.00 9.21 H new ATOM 0 HA ASN A 17 -13.593 8.921 3.669 1.00 10.20 H new ATOM 0 HB2 ASN A 17 -15.509 10.185 3.618 1.00 11.03 H new ATOM 0 HB3 ASN A 17 -15.103 10.116 1.915 1.00 11.03 H new ATOM 0 HD21 ASN A 17 -18.792 9.389 2.621 1.00 12.69 H new ATOM 0 HD22 ASN A 17 -17.682 10.615 3.241 1.00 12.69 H new ATOM 178 N ILE A 18 -15.414 7.549 5.069 1.00 10.70 N ATOM 179 CA ILE A 18 -15.962 6.506 5.937 1.00 11.18 C ATOM 180 C ILE A 18 -17.143 5.765 5.302 1.00 11.08 C ATOM 181 O ILE A 18 -17.350 4.586 5.578 1.00 11.25 O ATOM 182 CB ILE A 18 -16.400 7.069 7.308 1.00 12.00 C ATOM 183 CG1 ILE A 18 -17.385 8.227 7.127 1.00 12.63 C ATOM 184 CG2 ILE A 18 -15.185 7.514 8.113 1.00 12.34 C ATOM 185 CD1 ILE A 18 -18.108 8.613 8.399 1.00 13.58 C ATOM 0 H ILE A 18 -15.432 8.485 5.474 1.00 10.70 H new ATOM 0 HA ILE A 18 -15.148 5.796 6.081 1.00 11.18 H new ATOM 0 HB ILE A 18 -16.906 6.277 7.860 1.00 12.00 H new ATOM 0 HG12 ILE A 18 -16.846 9.095 6.748 1.00 12.63 H new ATOM 0 HG13 ILE A 18 -18.120 7.953 6.370 1.00 12.63 H new ATOM 0 HG21 ILE A 18 -15.511 7.908 9.076 1.00 12.34 H new ATOM 0 HG22 ILE A 18 -14.524 6.663 8.274 1.00 12.34 H new ATOM 0 HG23 ILE A 18 -14.650 8.290 7.566 1.00 12.34 H new ATOM 0 HD11 ILE A 18 -18.789 9.439 8.194 1.00 13.58 H new ATOM 0 HD12 ILE A 18 -18.675 7.759 8.769 1.00 13.58 H new ATOM 0 HD13 ILE A 18 -17.382 8.919 9.152 1.00 13.58 H new ATOM 197 N GLU A 19 -17.898 6.442 4.440 1.00 10.98 N ATOM 198 CA GLU A 19 -19.056 5.827 3.789 1.00 11.15 C ATOM 199 C GLU A 19 -18.629 4.840 2.706 1.00 10.09 C ATOM 200 O GLU A 19 -19.400 3.963 2.309 1.00 10.09 O ATOM 201 CB GLU A 19 -19.961 6.895 3.182 1.00 12.03 C ATOM 202 CG GLU A 19 -20.617 7.795 4.211 1.00 13.15 C ATOM 203 CD GLU A 19 -21.724 8.630 3.612 1.00 13.37 C ATOM 204 OE1 GLU A 19 -21.438 9.743 3.128 1.00 13.50 O ATOM 205 OE2 GLU A 19 -22.885 8.175 3.613 1.00 13.85 O ATOM 0 H GLU A 19 -17.731 7.413 4.176 1.00 10.98 H new ATOM 0 HA GLU A 19 -19.607 5.281 4.554 1.00 11.15 H new ATOM 0 HB2 GLU A 19 -19.376 7.508 2.497 1.00 12.03 H new ATOM 0 HB3 GLU A 19 -20.737 6.408 2.591 1.00 12.03 H new ATOM 0 HG2 GLU A 19 -21.020 7.186 5.020 1.00 13.15 H new ATOM 0 HG3 GLU A 19 -19.865 8.451 4.650 1.00 13.15 H new ATOM 212 N GLY A 20 -17.409 4.995 2.215 1.00 9.38 N ATOM 213 CA GLY A 20 -16.914 4.105 1.189 1.00 8.49 C ATOM 214 C GLY A 20 -16.727 4.801 -0.140 1.00 8.41 C ATOM 215 O GLY A 20 -16.291 4.180 -1.108 1.00 8.52 O ATOM 0 H GLY A 20 -16.755 5.720 2.509 1.00 9.38 H new ATOM 0 HA2 GLY A 20 -15.963 3.679 1.510 1.00 8.49 H new ATOM 0 HA3 GLY A 20 -17.610 3.275 1.066 1.00 8.49 H new ATOM 219 N ILE A 21 -17.053 6.086 -0.178 1.00 8.47 N ATOM 220 CA ILE A 21 -16.918 6.881 -1.392 1.00 8.70 C ATOM 221 C ILE A 21 -15.448 7.159 -1.661 1.00 8.24 C ATOM 222 O ILE A 21 -14.766 7.774 -0.839 1.00 8.70 O ATOM 223 CB ILE A 21 -17.681 8.224 -1.284 1.00 9.49 C ATOM 224 CG1 ILE A 21 -19.183 7.978 -1.123 1.00 10.11 C ATOM 225 CG2 ILE A 21 -17.413 9.103 -2.501 1.00 9.59 C ATOM 226 CD1 ILE A 21 -19.829 7.315 -2.320 1.00 10.74 C ATOM 0 H ILE A 21 -17.415 6.603 0.623 1.00 8.47 H new ATOM 0 HA ILE A 21 -17.350 6.310 -2.214 1.00 8.70 H new ATOM 0 HB ILE A 21 -17.318 8.748 -0.400 1.00 9.49 H new ATOM 0 HG12 ILE A 21 -19.347 7.356 -0.243 1.00 10.11 H new ATOM 0 HG13 ILE A 21 -19.679 8.930 -0.936 1.00 10.11 H new ATOM 0 HG21 ILE A 21 -17.960 10.040 -2.401 1.00 9.59 H new ATOM 0 HG22 ILE A 21 -16.346 9.312 -2.571 1.00 9.59 H new ATOM 0 HG23 ILE A 21 -17.741 8.586 -3.403 1.00 9.59 H new ATOM 0 HD11 ILE A 21 -20.893 7.175 -2.128 1.00 10.74 H new ATOM 0 HD12 ILE A 21 -19.699 7.946 -3.200 1.00 10.74 H new ATOM 0 HD13 ILE A 21 -19.361 6.346 -2.496 1.00 10.74 H new ATOM 238 N PHE A 22 -14.962 6.682 -2.794 1.00 7.56 N ATOM 239 CA PHE A 22 -13.566 6.869 -3.161 1.00 7.35 C ATOM 240 C PHE A 22 -13.265 8.327 -3.490 1.00 7.07 C ATOM 241 O PHE A 22 -13.780 8.874 -4.467 1.00 7.53 O ATOM 242 CB PHE A 22 -13.206 5.984 -4.354 1.00 7.50 C ATOM 243 CG PHE A 22 -13.214 4.514 -4.044 1.00 8.14 C ATOM 244 CD1 PHE A 22 -14.395 3.791 -4.075 1.00 8.51 C ATOM 245 CD2 PHE A 22 -12.038 3.856 -3.732 1.00 8.60 C ATOM 246 CE1 PHE A 22 -14.402 2.439 -3.798 1.00 9.27 C ATOM 247 CE2 PHE A 22 -12.039 2.504 -3.453 1.00 9.42 C ATOM 248 CZ PHE A 22 -13.222 1.794 -3.486 1.00 9.73 C ATOM 0 H PHE A 22 -15.513 6.162 -3.477 1.00 7.56 H new ATOM 0 HA PHE A 22 -12.959 6.582 -2.302 1.00 7.35 H new ATOM 0 HB2 PHE A 22 -13.909 6.179 -5.164 1.00 7.50 H new ATOM 0 HB3 PHE A 22 -12.217 6.264 -4.716 1.00 7.50 H new ATOM 0 HD1 PHE A 22 -15.321 4.291 -4.319 1.00 8.51 H new ATOM 0 HD2 PHE A 22 -11.109 4.406 -3.706 1.00 8.60 H new ATOM 0 HE1 PHE A 22 -15.329 1.886 -3.825 1.00 9.27 H new ATOM 0 HE2 PHE A 22 -11.114 2.002 -3.209 1.00 9.42 H new ATOM 0 HZ PHE A 22 -13.225 0.736 -3.268 1.00 9.73 H new ATOM 258 N THR A 23 -12.445 8.951 -2.657 1.00 6.58 N ATOM 259 CA THR A 23 -12.045 10.334 -2.853 1.00 6.57 C ATOM 260 C THR A 23 -10.871 10.396 -3.827 1.00 5.83 C ATOM 261 O THR A 23 -10.760 11.315 -4.639 1.00 5.91 O ATOM 262 CB THR A 23 -11.641 10.972 -1.514 1.00 7.05 C ATOM 263 OG1 THR A 23 -12.369 10.346 -0.446 1.00 7.33 O ATOM 264 CG2 THR A 23 -11.913 12.468 -1.516 1.00 7.74 C ATOM 0 H THR A 23 -12.040 8.513 -1.829 1.00 6.58 H new ATOM 0 HA THR A 23 -12.889 10.888 -3.264 1.00 6.57 H new ATOM 0 HB THR A 23 -10.571 10.822 -1.369 1.00 7.05 H new ATOM 0 HG1 THR A 23 -12.110 10.751 0.408 1.00 7.33 H new ATOM 0 HG21 THR A 23 -11.618 12.893 -0.557 1.00 7.74 H new ATOM 0 HG22 THR A 23 -11.340 12.941 -2.314 1.00 7.74 H new ATOM 0 HG23 THR A 23 -12.976 12.644 -1.679 1.00 7.74 H new ATOM 272 N PHE A 24 -10.001 9.397 -3.732 1.00 5.35 N ATOM 273 CA PHE A 24 -8.834 9.283 -4.594 1.00 4.99 C ATOM 274 C PHE A 24 -8.454 7.813 -4.722 1.00 4.39 C ATOM 275 O PHE A 24 -8.269 7.124 -3.716 1.00 4.25 O ATOM 276 CB PHE A 24 -7.656 10.090 -4.035 1.00 5.47 C ATOM 277 CG PHE A 24 -6.521 10.249 -5.010 1.00 5.80 C ATOM 278 CD1 PHE A 24 -6.578 11.211 -6.007 1.00 5.92 C ATOM 279 CD2 PHE A 24 -5.398 9.437 -4.932 1.00 6.29 C ATOM 280 CE1 PHE A 24 -5.538 11.361 -6.906 1.00 6.43 C ATOM 281 CE2 PHE A 24 -4.357 9.584 -5.830 1.00 6.89 C ATOM 282 CZ PHE A 24 -4.427 10.545 -6.817 1.00 6.92 C ATOM 0 H PHE A 24 -10.087 8.642 -3.052 1.00 5.35 H new ATOM 0 HA PHE A 24 -9.077 9.688 -5.576 1.00 4.99 H new ATOM 0 HB2 PHE A 24 -8.010 11.077 -3.738 1.00 5.47 H new ATOM 0 HB3 PHE A 24 -7.285 9.600 -3.135 1.00 5.47 H new ATOM 0 HD1 PHE A 24 -7.445 11.851 -6.082 1.00 5.92 H new ATOM 0 HD2 PHE A 24 -5.337 8.682 -4.162 1.00 6.29 H new ATOM 0 HE1 PHE A 24 -5.594 12.115 -7.677 1.00 6.43 H new ATOM 0 HE2 PHE A 24 -3.489 8.946 -5.759 1.00 6.89 H new ATOM 0 HZ PHE A 24 -3.614 10.659 -7.519 1.00 6.92 H new ATOM 292 N VAL A 25 -8.350 7.329 -5.947 1.00 4.43 N ATOM 293 CA VAL A 25 -8.018 5.930 -6.179 1.00 4.39 C ATOM 294 C VAL A 25 -6.620 5.780 -6.767 1.00 4.75 C ATOM 295 O VAL A 25 -6.147 6.645 -7.504 1.00 5.12 O ATOM 296 CB VAL A 25 -9.041 5.256 -7.122 1.00 5.05 C ATOM 297 CG1 VAL A 25 -9.006 3.742 -6.977 1.00 5.18 C ATOM 298 CG2 VAL A 25 -10.445 5.778 -6.858 1.00 6.02 C ATOM 0 H VAL A 25 -8.489 7.879 -6.795 1.00 4.43 H new ATOM 0 HA VAL A 25 -8.050 5.435 -5.208 1.00 4.39 H new ATOM 0 HB VAL A 25 -8.763 5.508 -8.146 1.00 5.05 H new ATOM 0 HG11 VAL A 25 -9.736 3.295 -7.652 1.00 5.18 H new ATOM 0 HG12 VAL A 25 -8.010 3.376 -7.225 1.00 5.18 H new ATOM 0 HG13 VAL A 25 -9.247 3.469 -5.950 1.00 5.18 H new ATOM 0 HG21 VAL A 25 -11.148 5.290 -7.533 1.00 6.02 H new ATOM 0 HG22 VAL A 25 -10.725 5.564 -5.826 1.00 6.02 H new ATOM 0 HG23 VAL A 25 -10.470 6.855 -7.025 1.00 6.02 H new ATOM 308 N ASP A 26 -5.963 4.679 -6.425 1.00 5.07 N ATOM 309 CA ASP A 26 -4.622 4.383 -6.921 1.00 5.85 C ATOM 310 C ASP A 26 -4.680 4.079 -8.419 1.00 6.77 C ATOM 311 O ASP A 26 -5.759 3.892 -8.977 1.00 6.87 O ATOM 312 CB ASP A 26 -4.050 3.185 -6.159 1.00 5.75 C ATOM 313 CG ASP A 26 -2.537 3.105 -6.194 1.00 6.66 C ATOM 314 OD1 ASP A 26 -1.973 2.799 -7.267 1.00 7.31 O ATOM 315 OD2 ASP A 26 -1.908 3.317 -5.138 1.00 6.95 O ATOM 0 H ASP A 26 -6.341 3.968 -5.799 1.00 5.07 H new ATOM 0 HA ASP A 26 -3.976 5.247 -6.764 1.00 5.85 H new ATOM 0 HB2 ASP A 26 -4.378 3.236 -5.121 1.00 5.75 H new ATOM 0 HB3 ASP A 26 -4.463 2.268 -6.579 1.00 5.75 H new ATOM 320 N HIS A 27 -3.531 4.012 -9.068 1.00 7.68 N ATOM 321 CA HIS A 27 -3.486 3.740 -10.501 1.00 8.77 C ATOM 322 C HIS A 27 -3.268 2.256 -10.757 1.00 9.47 C ATOM 323 O HIS A 27 -3.431 1.775 -11.880 1.00 9.87 O ATOM 324 CB HIS A 27 -2.371 4.548 -11.173 1.00 9.42 C ATOM 325 CG HIS A 27 -2.573 6.033 -11.113 1.00 10.21 C ATOM 326 ND1 HIS A 27 -1.550 6.938 -11.295 1.00 10.91 N ATOM 327 CD2 HIS A 27 -3.685 6.772 -10.877 1.00 10.62 C ATOM 328 CE1 HIS A 27 -2.021 8.164 -11.169 1.00 11.67 C ATOM 329 NE2 HIS A 27 -3.311 8.090 -10.916 1.00 11.51 N ATOM 0 H HIS A 27 -2.618 4.141 -8.631 1.00 7.68 H new ATOM 0 HA HIS A 27 -4.443 4.038 -10.929 1.00 8.77 H new ATOM 0 HB2 HIS A 27 -1.421 4.301 -10.699 1.00 9.42 H new ATOM 0 HB3 HIS A 27 -2.294 4.244 -12.217 1.00 9.42 H new ATOM 0 HD1 HIS A 27 -0.579 6.697 -11.496 1.00 10.91 H new ATOM 0 HD2 HIS A 27 -4.679 6.393 -10.693 1.00 10.62 H new ATOM 0 HE1 HIS A 27 -1.446 9.074 -11.258 1.00 11.67 H new ATOM 338 N ARG A 28 -2.916 1.532 -9.703 1.00 9.78 N ATOM 339 CA ARG A 28 -2.659 0.100 -9.806 1.00 10.59 C ATOM 340 C ARG A 28 -3.950 -0.716 -9.768 1.00 11.06 C ATOM 341 O ARG A 28 -3.930 -1.930 -9.979 1.00 11.12 O ATOM 342 CB ARG A 28 -1.733 -0.345 -8.677 1.00 10.74 C ATOM 343 CG ARG A 28 -0.323 0.201 -8.806 1.00 11.22 C ATOM 344 CD ARG A 28 0.470 0.023 -7.524 1.00 11.69 C ATOM 345 NE ARG A 28 0.081 0.987 -6.497 1.00 11.31 N ATOM 346 CZ ARG A 28 0.532 0.958 -5.245 1.00 11.44 C ATOM 347 NH1 ARG A 28 1.345 -0.015 -4.851 1.00 11.91 N ATOM 348 NH2 ARG A 28 0.145 1.886 -4.382 1.00 11.23 N ATOM 0 H ARG A 28 -2.801 1.913 -8.764 1.00 9.78 H new ATOM 0 HA ARG A 28 -2.181 -0.080 -10.769 1.00 10.59 H new ATOM 0 HB2 ARG A 28 -2.154 -0.024 -7.724 1.00 10.74 H new ATOM 0 HB3 ARG A 28 -1.693 -1.434 -8.657 1.00 10.74 H new ATOM 0 HG2 ARG A 28 0.190 -0.306 -9.624 1.00 11.22 H new ATOM 0 HG3 ARG A 28 -0.365 1.259 -9.063 1.00 11.22 H new ATOM 0 HD2 ARG A 28 0.323 -0.988 -7.145 1.00 11.69 H new ATOM 0 HD3 ARG A 28 1.533 0.132 -7.738 1.00 11.69 H new ATOM 0 HE ARG A 28 -0.574 1.725 -6.755 1.00 11.31 H new ATOM 0 HH11 ARG A 28 1.626 -0.743 -5.508 1.00 11.91 H new ATOM 0 HH12 ARG A 28 1.689 -0.035 -3.891 1.00 11.91 H new ATOM 0 HH21 ARG A 28 -0.498 2.621 -4.677 1.00 11.23 H new ATOM 0 HH22 ARG A 28 0.490 1.865 -3.422 1.00 11.23 H new ATOM 362 N CYS A 29 -5.074 -0.047 -9.529 1.00 11.56 N ATOM 363 CA CYS A 29 -6.368 -0.722 -9.457 1.00 12.23 C ATOM 364 C CYS A 29 -6.704 -1.412 -10.777 1.00 12.88 C ATOM 365 O CYS A 29 -7.421 -2.416 -10.802 1.00 12.99 O ATOM 366 CB CYS A 29 -7.468 0.273 -9.093 1.00 12.60 C ATOM 367 SG CYS A 29 -7.641 1.637 -10.263 1.00 12.95 S ATOM 0 H CYS A 29 -5.116 0.961 -9.382 1.00 11.56 H new ATOM 0 HA CYS A 29 -6.305 -1.483 -8.680 1.00 12.23 H new ATOM 0 HB2 CYS A 29 -8.417 -0.259 -9.027 1.00 12.60 H new ATOM 0 HB3 CYS A 29 -7.262 0.681 -8.103 1.00 12.60 H new ATOM 0 HG CYS A 29 -8.610 1.379 -11.091 1.00 12.95 H new ATOM 373 N VAL A 30 -6.165 -0.880 -11.866 1.00 13.46 N ATOM 374 CA VAL A 30 -6.397 -1.435 -13.192 1.00 14.27 C ATOM 375 C VAL A 30 -5.795 -2.834 -13.308 1.00 14.13 C ATOM 376 O VAL A 30 -6.323 -3.697 -14.004 1.00 14.19 O ATOM 377 CB VAL A 30 -5.802 -0.530 -14.290 1.00 15.19 C ATOM 378 CG1 VAL A 30 -6.268 -0.975 -15.666 1.00 16.15 C ATOM 379 CG2 VAL A 30 -6.171 0.926 -14.042 1.00 15.20 C ATOM 0 H VAL A 30 -5.560 -0.059 -11.856 1.00 13.46 H new ATOM 0 HA VAL A 30 -7.476 -1.495 -13.333 1.00 14.27 H new ATOM 0 HB VAL A 30 -4.716 -0.619 -14.254 1.00 15.19 H new ATOM 0 HG11 VAL A 30 -5.836 -0.323 -16.425 1.00 16.15 H new ATOM 0 HG12 VAL A 30 -5.947 -2.001 -15.844 1.00 16.15 H new ATOM 0 HG13 VAL A 30 -7.355 -0.921 -15.717 1.00 16.15 H new ATOM 0 HG21 VAL A 30 -5.742 1.549 -14.827 1.00 15.20 H new ATOM 0 HG22 VAL A 30 -7.256 1.032 -14.046 1.00 15.20 H new ATOM 0 HG23 VAL A 30 -5.780 1.241 -13.075 1.00 15.20 H new ATOM 389 N ALA A 31 -4.692 -3.055 -12.610 1.00 14.12 N ATOM 390 CA ALA A 31 -4.030 -4.347 -12.636 1.00 14.20 C ATOM 391 C ALA A 31 -4.595 -5.265 -11.562 1.00 14.41 C ATOM 392 O ALA A 31 -4.569 -6.486 -11.698 1.00 15.07 O ATOM 393 CB ALA A 31 -2.533 -4.173 -12.459 1.00 14.19 C ATOM 0 H ALA A 31 -4.238 -2.357 -12.020 1.00 14.12 H new ATOM 0 HA ALA A 31 -4.214 -4.810 -13.606 1.00 14.20 H new ATOM 0 HB1 ALA A 31 -2.048 -5.149 -12.480 1.00 14.19 H new ATOM 0 HB2 ALA A 31 -2.141 -3.555 -13.267 1.00 14.19 H new ATOM 0 HB3 ALA A 31 -2.333 -3.690 -11.503 1.00 14.19 H new ATOM 399 N THR A 32 -5.105 -4.669 -10.495 1.00 13.95 N ATOM 400 CA THR A 32 -5.673 -5.435 -9.398 1.00 14.24 C ATOM 401 C THR A 32 -7.064 -5.970 -9.752 1.00 14.03 C ATOM 402 O THR A 32 -7.312 -7.175 -9.680 1.00 14.20 O ATOM 403 CB THR A 32 -5.759 -4.583 -8.121 1.00 14.27 C ATOM 404 OG1 THR A 32 -4.561 -3.806 -7.973 1.00 14.90 O ATOM 405 CG2 THR A 32 -5.948 -5.461 -6.895 1.00 14.04 C ATOM 0 H THR A 32 -5.137 -3.658 -10.366 1.00 13.95 H new ATOM 0 HA THR A 32 -5.010 -6.281 -9.218 1.00 14.24 H new ATOM 0 HB THR A 32 -6.619 -3.920 -8.210 1.00 14.27 H new ATOM 0 HG1 THR A 32 -4.547 -3.095 -8.647 1.00 14.90 H new ATOM 0 HG21 THR A 32 -6.006 -4.835 -6.005 1.00 14.04 H new ATOM 0 HG22 THR A 32 -6.870 -6.034 -6.996 1.00 14.04 H new ATOM 0 HG23 THR A 32 -5.104 -6.145 -6.804 1.00 14.04 H new ATOM 413 N VAL A 33 -7.968 -5.077 -10.139 1.00 13.80 N ATOM 414 CA VAL A 33 -9.325 -5.482 -10.492 1.00 13.77 C ATOM 415 C VAL A 33 -9.671 -5.115 -11.930 1.00 13.68 C ATOM 416 O VAL A 33 -10.470 -5.789 -12.572 1.00 13.84 O ATOM 417 CB VAL A 33 -10.381 -4.873 -9.545 1.00 13.66 C ATOM 418 CG1 VAL A 33 -10.436 -5.651 -8.243 1.00 13.80 C ATOM 419 CG2 VAL A 33 -10.096 -3.403 -9.272 1.00 13.68 C ATOM 0 H VAL A 33 -7.789 -4.076 -10.216 1.00 13.80 H new ATOM 0 HA VAL A 33 -9.347 -6.567 -10.387 1.00 13.77 H new ATOM 0 HB VAL A 33 -11.351 -4.941 -10.037 1.00 13.66 H new ATOM 0 HG11 VAL A 33 -11.185 -5.209 -7.586 1.00 13.80 H new ATOM 0 HG12 VAL A 33 -10.701 -6.688 -8.450 1.00 13.80 H new ATOM 0 HG13 VAL A 33 -9.461 -5.616 -7.757 1.00 13.80 H new ATOM 0 HG21 VAL A 33 -10.857 -3.003 -8.602 1.00 13.68 H new ATOM 0 HG22 VAL A 33 -9.115 -3.303 -8.808 1.00 13.68 H new ATOM 0 HG23 VAL A 33 -10.111 -2.849 -10.211 1.00 13.68 H new ATOM 429 N GLY A 34 -9.079 -4.042 -12.430 1.00 13.56 N ATOM 430 CA GLY A 34 -9.348 -3.626 -13.793 1.00 13.65 C ATOM 431 C GLY A 34 -10.140 -2.339 -13.847 1.00 13.54 C ATOM 432 O GLY A 34 -10.096 -1.614 -14.840 1.00 13.85 O ATOM 0 H GLY A 34 -8.420 -3.453 -11.921 1.00 13.56 H new ATOM 0 HA2 GLY A 34 -8.405 -3.494 -14.324 1.00 13.65 H new ATOM 0 HA3 GLY A 34 -9.898 -4.412 -14.310 1.00 13.65 H new ATOM 436 N TYR A 35 -10.864 -2.054 -12.773 1.00 13.21 N ATOM 437 CA TYR A 35 -11.670 -0.846 -12.689 1.00 13.20 C ATOM 438 C TYR A 35 -10.781 0.390 -12.688 1.00 12.81 C ATOM 439 O TYR A 35 -9.754 0.426 -12.010 1.00 12.67 O ATOM 440 CB TYR A 35 -12.527 -0.859 -11.423 1.00 13.25 C ATOM 441 CG TYR A 35 -13.832 -1.614 -11.558 1.00 15.79 C ATOM 442 CD1 TYR A 35 -14.797 -1.217 -12.476 1.00 16.05 C ATOM 443 CD2 TYR A 35 -14.104 -2.718 -10.759 1.00 16.35 C ATOM 444 CE1 TYR A 35 -15.995 -1.894 -12.592 1.00 16.85 C ATOM 445 CE2 TYR A 35 -15.299 -3.402 -10.873 1.00 17.14 C ATOM 446 CZ TYR A 35 -16.239 -2.987 -11.790 1.00 15.43 C ATOM 447 OH TYR A 35 -17.433 -3.662 -11.896 1.00 18.28 O ATOM 0 H TYR A 35 -10.909 -2.647 -11.944 1.00 13.21 H new ATOM 0 HA TYR A 35 -12.323 -0.815 -13.561 1.00 13.20 H new ATOM 0 HB2 TYR A 35 -11.948 -1.301 -10.612 1.00 13.25 H new ATOM 0 HB3 TYR A 35 -12.745 0.170 -11.136 1.00 13.25 H new ATOM 0 HD1 TYR A 35 -14.607 -0.364 -13.110 1.00 16.05 H new ATOM 0 HD2 TYR A 35 -13.370 -3.046 -10.038 1.00 16.35 H new ATOM 0 HE1 TYR A 35 -16.736 -1.569 -13.307 1.00 16.85 H new ATOM 0 HE2 TYR A 35 -15.495 -4.259 -10.245 1.00 17.14 H new ATOM 0 HH TYR A 35 -17.385 -4.297 -12.640 1.00 18.28 H new ATOM 457 N GLN A 36 -11.176 1.389 -13.463 1.00 12.79 N ATOM 458 CA GLN A 36 -10.428 2.635 -13.541 1.00 12.57 C ATOM 459 C GLN A 36 -10.719 3.471 -12.302 1.00 11.54 C ATOM 460 O GLN A 36 -11.802 3.364 -11.730 1.00 11.22 O ATOM 461 CB GLN A 36 -10.814 3.425 -14.799 1.00 13.45 C ATOM 462 CG GLN A 36 -10.658 2.650 -16.100 1.00 14.56 C ATOM 463 CD GLN A 36 -9.232 2.196 -16.350 1.00 15.07 C ATOM 464 OE1 GLN A 36 -8.953 0.934 -16.073 1.00 15.22 O flip ATOM 465 NE2 GLN A 36 -8.393 2.972 -16.811 1.00 15.48 N flip ATOM 0 H GLN A 36 -12.011 1.361 -14.048 1.00 12.79 H new ATOM 0 HA GLN A 36 -9.364 2.404 -13.594 1.00 12.57 H new ATOM 0 HB2 GLN A 36 -11.850 3.750 -14.706 1.00 13.45 H new ATOM 0 HB3 GLN A 36 -10.201 4.325 -14.851 1.00 13.45 H new ATOM 0 HG2 GLN A 36 -11.313 1.779 -16.079 1.00 14.56 H new ATOM 0 HG3 GLN A 36 -10.986 3.275 -16.931 1.00 14.56 H new ATOM 0 HE21 GLN A 36 -8.648 3.939 -17.011 1.00 15.48 H new ATOM 0 HE22 GLN A 36 -7.443 2.647 -16.992 1.00 15.48 H new ATOM 474 N PRO A 37 -9.764 4.303 -11.859 1.00 11.14 N ATOM 475 CA PRO A 37 -9.948 5.155 -10.680 1.00 10.29 C ATOM 476 C PRO A 37 -11.226 5.988 -10.768 1.00 10.51 C ATOM 477 O PRO A 37 -11.959 6.137 -9.789 1.00 10.47 O ATOM 478 CB PRO A 37 -8.715 6.060 -10.698 1.00 10.16 C ATOM 479 CG PRO A 37 -7.683 5.284 -11.439 1.00 10.93 C ATOM 480 CD PRO A 37 -8.429 4.472 -12.461 1.00 11.63 C ATOM 0 HA PRO A 37 -10.048 4.572 -9.764 1.00 10.29 H new ATOM 0 HB2 PRO A 37 -8.928 7.008 -11.192 1.00 10.16 H new ATOM 0 HB3 PRO A 37 -8.382 6.295 -9.687 1.00 10.16 H new ATOM 0 HG2 PRO A 37 -6.964 5.949 -11.918 1.00 10.93 H new ATOM 0 HG3 PRO A 37 -7.120 4.639 -10.764 1.00 10.93 H new ATOM 0 HD2 PRO A 37 -8.484 4.987 -13.420 1.00 11.63 H new ATOM 0 HD3 PRO A 37 -7.946 3.512 -12.641 1.00 11.63 H new ATOM 488 N GLN A 38 -11.501 6.493 -11.965 1.00 10.92 N ATOM 489 CA GLN A 38 -12.680 7.310 -12.221 1.00 11.42 C ATOM 490 C GLN A 38 -13.970 6.506 -12.052 1.00 11.86 C ATOM 491 O GLN A 38 -15.040 7.080 -11.850 1.00 12.08 O ATOM 492 CB GLN A 38 -12.618 7.906 -13.632 1.00 12.31 C ATOM 493 CG GLN A 38 -11.478 8.897 -13.830 1.00 12.40 C ATOM 494 CD GLN A 38 -10.184 8.241 -14.287 1.00 12.97 C ATOM 495 OE1 GLN A 38 -9.947 7.057 -14.048 1.00 13.31 O ATOM 496 NE2 GLN A 38 -9.334 9.010 -14.944 1.00 13.23 N ATOM 0 H GLN A 38 -10.912 6.347 -12.785 1.00 10.92 H new ATOM 0 HA GLN A 38 -12.687 8.116 -11.488 1.00 11.42 H new ATOM 0 HB2 GLN A 38 -12.513 7.096 -14.354 1.00 12.31 H new ATOM 0 HB3 GLN A 38 -13.563 8.405 -13.848 1.00 12.31 H new ATOM 0 HG2 GLN A 38 -11.778 9.644 -14.565 1.00 12.40 H new ATOM 0 HG3 GLN A 38 -11.298 9.426 -12.894 1.00 12.40 H new ATOM 0 HE21 GLN A 38 -9.564 9.987 -15.124 1.00 13.23 H new ATOM 0 HE22 GLN A 38 -8.447 8.626 -15.271 1.00 13.23 H new ATOM 505 N GLU A 39 -13.867 5.183 -12.125 1.00 12.10 N ATOM 506 CA GLU A 39 -15.032 4.319 -11.973 1.00 12.60 C ATOM 507 C GLU A 39 -15.389 4.174 -10.499 1.00 12.14 C ATOM 508 O GLU A 39 -16.552 3.965 -10.150 1.00 12.03 O ATOM 509 CB GLU A 39 -14.774 2.936 -12.582 1.00 13.06 C ATOM 510 CG GLU A 39 -14.407 2.975 -14.058 1.00 14.17 C ATOM 511 CD GLU A 39 -14.512 1.616 -14.719 1.00 16.63 C ATOM 512 OE1 GLU A 39 -15.622 1.256 -15.163 1.00 17.34 O ATOM 513 OE2 GLU A 39 -13.488 0.908 -14.809 1.00 16.43 O ATOM 0 H GLU A 39 -12.991 4.687 -12.288 1.00 12.10 H new ATOM 0 HA GLU A 39 -15.866 4.780 -12.503 1.00 12.60 H new ATOM 0 HB2 GLU A 39 -13.970 2.450 -12.030 1.00 13.06 H new ATOM 0 HB3 GLU A 39 -15.665 2.321 -12.455 1.00 13.06 H new ATOM 0 HG2 GLU A 39 -15.062 3.677 -14.573 1.00 14.17 H new ATOM 0 HG3 GLU A 39 -13.389 3.350 -14.166 1.00 14.17 H new ATOM 520 N LEU A 40 -14.379 4.298 -9.642 1.00 12.04 N ATOM 521 CA LEU A 40 -14.571 4.184 -8.198 1.00 11.75 C ATOM 522 C LEU A 40 -14.965 5.532 -7.595 1.00 11.42 C ATOM 523 O LEU A 40 -15.627 5.593 -6.557 1.00 11.04 O ATOM 524 CB LEU A 40 -13.293 3.670 -7.519 1.00 11.89 C ATOM 525 CG LEU A 40 -12.996 2.172 -7.675 1.00 12.41 C ATOM 526 CD1 LEU A 40 -14.274 1.349 -7.610 1.00 12.70 C ATOM 527 CD2 LEU A 40 -12.251 1.902 -8.970 1.00 13.25 C ATOM 0 H LEU A 40 -13.415 4.478 -9.924 1.00 12.04 H new ATOM 0 HA LEU A 40 -15.377 3.470 -8.025 1.00 11.75 H new ATOM 0 HB2 LEU A 40 -12.446 4.230 -7.915 1.00 11.89 H new ATOM 0 HB3 LEU A 40 -13.356 3.897 -6.455 1.00 11.89 H new ATOM 0 HG LEU A 40 -12.359 1.870 -6.843 1.00 12.41 H new ATOM 0 HD11 LEU A 40 -14.032 0.292 -7.723 1.00 12.70 H new ATOM 0 HD12 LEU A 40 -14.761 1.509 -6.648 1.00 12.70 H new ATOM 0 HD13 LEU A 40 -14.945 1.656 -8.412 1.00 12.70 H new ATOM 0 HD21 LEU A 40 -12.051 0.834 -9.059 1.00 13.25 H new ATOM 0 HD22 LEU A 40 -12.858 2.229 -9.814 1.00 13.25 H new ATOM 0 HD23 LEU A 40 -11.308 2.448 -8.968 1.00 13.25 H new ATOM 539 N LEU A 41 -14.550 6.608 -8.250 1.00 11.77 N ATOM 540 CA LEU A 41 -14.857 7.957 -7.786 1.00 11.76 C ATOM 541 C LEU A 41 -16.367 8.184 -7.737 1.00 12.25 C ATOM 542 O LEU A 41 -17.058 8.081 -8.754 1.00 12.72 O ATOM 543 CB LEU A 41 -14.194 8.998 -8.693 1.00 12.25 C ATOM 544 CG LEU A 41 -12.664 8.955 -8.725 1.00 12.23 C ATOM 545 CD1 LEU A 41 -12.123 9.944 -9.743 1.00 12.99 C ATOM 546 CD2 LEU A 41 -12.089 9.245 -7.348 1.00 11.79 C ATOM 0 H LEU A 41 -13.998 6.574 -9.107 1.00 11.77 H new ATOM 0 HA LEU A 41 -14.460 8.068 -6.777 1.00 11.76 H new ATOM 0 HB2 LEU A 41 -14.567 8.862 -9.708 1.00 12.25 H new ATOM 0 HB3 LEU A 41 -14.507 9.991 -8.369 1.00 12.25 H new ATOM 0 HG LEU A 41 -12.358 7.951 -9.021 1.00 12.23 H new ATOM 0 HD11 LEU A 41 -11.034 9.899 -9.751 1.00 12.99 H new ATOM 0 HD12 LEU A 41 -12.504 9.692 -10.733 1.00 12.99 H new ATOM 0 HD13 LEU A 41 -12.442 10.952 -9.477 1.00 12.99 H new ATOM 0 HD21 LEU A 41 -11.001 9.209 -7.393 1.00 11.79 H new ATOM 0 HD22 LEU A 41 -12.406 10.236 -7.022 1.00 11.79 H new ATOM 0 HD23 LEU A 41 -12.447 8.498 -6.639 1.00 11.79 H new ATOM 558 N GLY A 42 -16.873 8.473 -6.547 1.00 12.24 N ATOM 559 CA GLY A 42 -18.296 8.708 -6.376 1.00 12.82 C ATOM 560 C GLY A 42 -19.068 7.427 -6.134 1.00 13.07 C ATOM 561 O GLY A 42 -20.295 7.438 -6.040 1.00 13.39 O ATOM 0 H GLY A 42 -16.322 8.550 -5.692 1.00 12.24 H new ATOM 0 HA2 GLY A 42 -18.451 9.386 -5.537 1.00 12.82 H new ATOM 0 HA3 GLY A 42 -18.689 9.204 -7.264 1.00 12.82 H new ATOM 565 N LYS A 43 -18.348 6.321 -6.036 1.00 13.04 N ATOM 566 CA LYS A 43 -18.960 5.026 -5.802 1.00 13.33 C ATOM 567 C LYS A 43 -18.553 4.491 -4.438 1.00 12.82 C ATOM 568 O LYS A 43 -17.566 4.944 -3.854 1.00 13.01 O ATOM 569 CB LYS A 43 -18.542 4.034 -6.889 1.00 13.98 C ATOM 570 CG LYS A 43 -19.099 4.356 -8.266 1.00 15.04 C ATOM 571 CD LYS A 43 -20.426 3.655 -8.514 1.00 15.77 C ATOM 572 CE LYS A 43 -21.601 4.461 -7.985 1.00 16.37 C ATOM 573 NZ LYS A 43 -22.876 3.709 -8.091 1.00 16.87 N ATOM 0 H LYS A 43 -17.331 6.296 -6.116 1.00 13.04 H new ATOM 0 HA LYS A 43 -20.043 5.147 -5.830 1.00 13.33 H new ATOM 0 HB2 LYS A 43 -17.454 4.009 -6.945 1.00 13.98 H new ATOM 0 HB3 LYS A 43 -18.869 3.035 -6.600 1.00 13.98 H new ATOM 0 HG2 LYS A 43 -19.233 5.433 -8.361 1.00 15.04 H new ATOM 0 HG3 LYS A 43 -18.381 4.055 -9.029 1.00 15.04 H new ATOM 0 HD2 LYS A 43 -20.553 3.487 -9.583 1.00 15.77 H new ATOM 0 HD3 LYS A 43 -20.414 2.675 -8.037 1.00 15.77 H new ATOM 0 HE2 LYS A 43 -21.421 4.726 -6.943 1.00 16.37 H new ATOM 0 HE3 LYS A 43 -21.682 5.394 -8.542 1.00 16.37 H new ATOM 0 HZ1 LYS A 43 -23.649 4.278 -7.690 1.00 16.87 H new ATOM 0 HZ2 LYS A 43 -23.078 3.507 -9.091 1.00 16.87 H new ATOM 0 HZ3 LYS A 43 -22.796 2.814 -7.567 1.00 16.87 H new ATOM 587 N ASN A 44 -19.316 3.535 -3.936 1.00 12.28 N ATOM 588 CA ASN A 44 -19.032 2.929 -2.647 1.00 11.87 C ATOM 589 C ASN A 44 -18.288 1.621 -2.850 1.00 11.67 C ATOM 590 O ASN A 44 -18.643 0.826 -3.719 1.00 11.82 O ATOM 591 CB ASN A 44 -20.325 2.665 -1.864 1.00 11.97 C ATOM 592 CG ASN A 44 -21.104 3.927 -1.541 1.00 12.28 C ATOM 593 OD1 ASN A 44 -21.935 4.376 -2.329 1.00 12.50 O ATOM 594 ND2 ASN A 44 -20.858 4.500 -0.371 1.00 12.46 N ATOM 0 H ASN A 44 -20.141 3.160 -4.405 1.00 12.28 H new ATOM 0 HA ASN A 44 -18.416 3.621 -2.073 1.00 11.87 H new ATOM 0 HB2 ASN A 44 -20.960 1.993 -2.442 1.00 11.97 H new ATOM 0 HB3 ASN A 44 -20.079 2.151 -0.935 1.00 11.97 H new ATOM 0 HD21 ASN A 44 -21.365 5.342 -0.099 1.00 12.46 H new ATOM 0 HD22 ASN A 44 -20.161 4.099 0.257 1.00 12.46 H new ATOM 601 N ILE A 45 -17.258 1.398 -2.047 1.00 11.52 N ATOM 602 CA ILE A 45 -16.463 0.174 -2.126 1.00 11.55 C ATOM 603 C ILE A 45 -17.337 -1.063 -1.903 1.00 11.53 C ATOM 604 O ILE A 45 -17.058 -2.141 -2.426 1.00 11.49 O ATOM 605 CB ILE A 45 -15.307 0.200 -1.092 1.00 11.20 C ATOM 606 CG1 ILE A 45 -14.508 -1.108 -1.127 1.00 11.40 C ATOM 607 CG2 ILE A 45 -15.848 0.469 0.306 1.00 11.02 C ATOM 608 CD1 ILE A 45 -13.233 -1.066 -0.313 1.00 11.72 C ATOM 0 H ILE A 45 -16.949 2.052 -1.327 1.00 11.52 H new ATOM 0 HA ILE A 45 -16.036 0.121 -3.127 1.00 11.55 H new ATOM 0 HB ILE A 45 -14.629 1.011 -1.359 1.00 11.20 H new ATOM 0 HG12 ILE A 45 -15.138 -1.918 -0.758 1.00 11.40 H new ATOM 0 HG13 ILE A 45 -14.260 -1.344 -2.162 1.00 11.40 H new ATOM 0 HG21 ILE A 45 -15.023 0.484 1.019 1.00 11.02 H new ATOM 0 HG22 ILE A 45 -16.357 1.433 0.320 1.00 11.02 H new ATOM 0 HG23 ILE A 45 -16.551 -0.317 0.581 1.00 11.02 H new ATOM 0 HD11 ILE A 45 -12.723 -2.026 -0.386 1.00 11.72 H new ATOM 0 HD12 ILE A 45 -12.583 -0.279 -0.696 1.00 11.72 H new ATOM 0 HD13 ILE A 45 -13.474 -0.862 0.730 1.00 11.72 H new ATOM 620 N VAL A 46 -18.419 -0.885 -1.156 1.00 11.77 N ATOM 621 CA VAL A 46 -19.335 -1.975 -0.852 1.00 11.99 C ATOM 622 C VAL A 46 -20.145 -2.392 -2.087 1.00 12.29 C ATOM 623 O VAL A 46 -20.681 -3.499 -2.144 1.00 12.37 O ATOM 624 CB VAL A 46 -20.283 -1.580 0.305 1.00 12.37 C ATOM 625 CG1 VAL A 46 -21.282 -0.523 -0.137 1.00 12.89 C ATOM 626 CG2 VAL A 46 -20.996 -2.797 0.870 1.00 12.52 C ATOM 0 H VAL A 46 -18.684 0.011 -0.747 1.00 11.77 H new ATOM 0 HA VAL A 46 -18.737 -2.832 -0.541 1.00 11.99 H new ATOM 0 HB VAL A 46 -19.672 -1.150 1.099 1.00 12.37 H new ATOM 0 HG11 VAL A 46 -21.934 -0.267 0.698 1.00 12.89 H new ATOM 0 HG12 VAL A 46 -20.747 0.368 -0.467 1.00 12.89 H new ATOM 0 HG13 VAL A 46 -21.882 -0.911 -0.960 1.00 12.89 H new ATOM 0 HG21 VAL A 46 -21.655 -2.488 1.681 1.00 12.52 H new ATOM 0 HG22 VAL A 46 -21.585 -3.271 0.085 1.00 12.52 H new ATOM 0 HG23 VAL A 46 -20.260 -3.506 1.250 1.00 12.52 H new ATOM 636 N GLU A 47 -20.203 -1.516 -3.087 1.00 12.64 N ATOM 637 CA GLU A 47 -20.946 -1.797 -4.312 1.00 13.14 C ATOM 638 C GLU A 47 -20.241 -2.859 -5.143 1.00 12.83 C ATOM 639 O GLU A 47 -20.881 -3.679 -5.799 1.00 12.91 O ATOM 640 CB GLU A 47 -21.100 -0.530 -5.151 1.00 14.14 C ATOM 641 CG GLU A 47 -21.965 0.535 -4.508 1.00 14.73 C ATOM 642 CD GLU A 47 -22.194 1.717 -5.423 1.00 15.67 C ATOM 643 OE1 GLU A 47 -23.091 1.640 -6.287 1.00 16.53 O ATOM 644 OE2 GLU A 47 -21.483 2.728 -5.287 1.00 15.65 O ATOM 0 H GLU A 47 -19.744 -0.605 -3.073 1.00 12.64 H new ATOM 0 HA GLU A 47 -21.931 -2.163 -4.022 1.00 13.14 H new ATOM 0 HB2 GLU A 47 -20.112 -0.113 -5.344 1.00 14.14 H new ATOM 0 HB3 GLU A 47 -21.528 -0.796 -6.117 1.00 14.14 H new ATOM 0 HG2 GLU A 47 -22.926 0.101 -4.231 1.00 14.73 H new ATOM 0 HG3 GLU A 47 -21.492 0.877 -3.587 1.00 14.73 H new ATOM 651 N PHE A 48 -18.918 -2.839 -5.105 1.00 12.62 N ATOM 652 CA PHE A 48 -18.114 -3.784 -5.865 1.00 12.47 C ATOM 653 C PHE A 48 -17.622 -4.909 -4.965 1.00 11.91 C ATOM 654 O PHE A 48 -16.612 -5.550 -5.246 1.00 11.81 O ATOM 655 CB PHE A 48 -16.926 -3.064 -6.512 1.00 12.62 C ATOM 656 CG PHE A 48 -17.310 -1.809 -7.246 1.00 14.11 C ATOM 657 CD1 PHE A 48 -17.662 -1.855 -8.586 1.00 14.39 C ATOM 658 CD2 PHE A 48 -17.327 -0.587 -6.595 1.00 14.61 C ATOM 659 CE1 PHE A 48 -18.022 -0.704 -9.262 1.00 15.13 C ATOM 660 CE2 PHE A 48 -17.686 0.566 -7.265 1.00 15.34 C ATOM 661 CZ PHE A 48 -18.033 0.507 -8.600 1.00 14.85 C ATOM 0 H PHE A 48 -18.375 -2.175 -4.553 1.00 12.62 H new ATOM 0 HA PHE A 48 -18.734 -4.216 -6.650 1.00 12.47 H new ATOM 0 HB2 PHE A 48 -16.198 -2.815 -5.740 1.00 12.62 H new ATOM 0 HB3 PHE A 48 -16.434 -3.745 -7.206 1.00 12.62 H new ATOM 0 HD1 PHE A 48 -17.655 -2.801 -9.108 1.00 14.39 H new ATOM 0 HD2 PHE A 48 -17.056 -0.535 -5.551 1.00 14.61 H new ATOM 0 HE1 PHE A 48 -18.294 -0.752 -10.306 1.00 15.13 H new ATOM 0 HE2 PHE A 48 -17.695 1.513 -6.745 1.00 15.34 H new ATOM 0 HZ PHE A 48 -18.313 1.408 -9.126 1.00 14.85 H new ATOM 671 N CYS A 49 -18.340 -5.142 -3.884 1.00 11.77 N ATOM 672 CA CYS A 49 -17.984 -6.187 -2.943 1.00 11.49 C ATOM 673 C CYS A 49 -19.003 -7.317 -3.007 1.00 11.83 C ATOM 674 O CYS A 49 -20.169 -7.090 -3.342 1.00 11.97 O ATOM 675 CB CYS A 49 -17.914 -5.615 -1.524 1.00 11.25 C ATOM 676 SG CYS A 49 -17.508 -6.832 -0.246 1.00 11.37 S ATOM 0 H CYS A 49 -19.179 -4.618 -3.634 1.00 11.77 H new ATOM 0 HA CYS A 49 -17.004 -6.584 -3.209 1.00 11.49 H new ATOM 0 HB2 CYS A 49 -17.168 -4.821 -1.502 1.00 11.25 H new ATOM 0 HB3 CYS A 49 -18.874 -5.158 -1.282 1.00 11.25 H new ATOM 0 HG CYS A 49 -16.246 -7.134 -0.320 1.00 11.37 H new ATOM 682 N HIS A 50 -18.547 -8.531 -2.720 1.00 12.10 N ATOM 683 CA HIS A 50 -19.410 -9.707 -2.718 1.00 12.66 C ATOM 684 C HIS A 50 -20.548 -9.491 -1.723 1.00 12.75 C ATOM 685 O HIS A 50 -20.297 -9.187 -0.565 1.00 12.20 O ATOM 686 CB HIS A 50 -18.580 -10.941 -2.335 1.00 13.24 C ATOM 687 CG HIS A 50 -19.225 -12.266 -2.624 1.00 13.78 C ATOM 688 ND1 HIS A 50 -19.179 -13.320 -1.741 1.00 14.15 N ATOM 689 CD2 HIS A 50 -19.896 -12.719 -3.711 1.00 14.13 C ATOM 690 CE1 HIS A 50 -19.789 -14.365 -2.269 1.00 14.67 C ATOM 691 NE2 HIS A 50 -20.236 -14.028 -3.465 1.00 14.65 N ATOM 0 H HIS A 50 -17.574 -8.728 -2.483 1.00 12.10 H new ATOM 0 HA HIS A 50 -19.836 -9.866 -3.709 1.00 12.66 H new ATOM 0 HB2 HIS A 50 -17.628 -10.896 -2.864 1.00 13.24 H new ATOM 0 HB3 HIS A 50 -18.355 -10.890 -1.270 1.00 13.24 H new ATOM 0 HD1 HIS A 50 -18.741 -13.298 -0.820 1.00 14.15 H new ATOM 0 HD2 HIS A 50 -20.122 -12.156 -4.605 1.00 14.13 H new ATOM 0 HE1 HIS A 50 -19.903 -15.332 -1.802 1.00 14.67 H new ATOM 700 N PRO A 51 -21.809 -9.624 -2.169 1.00 13.57 N ATOM 701 CA PRO A 51 -22.992 -9.421 -1.315 1.00 13.93 C ATOM 702 C PRO A 51 -22.888 -10.101 0.049 1.00 14.09 C ATOM 703 O PRO A 51 -23.171 -9.490 1.080 1.00 14.26 O ATOM 704 CB PRO A 51 -24.117 -10.040 -2.139 1.00 14.93 C ATOM 705 CG PRO A 51 -23.691 -9.839 -3.550 1.00 15.15 C ATOM 706 CD PRO A 51 -22.190 -9.963 -3.554 1.00 14.35 C ATOM 0 HA PRO A 51 -23.135 -8.368 -1.073 1.00 13.93 H new ATOM 0 HB2 PRO A 51 -24.244 -11.098 -1.908 1.00 14.93 H new ATOM 0 HB3 PRO A 51 -25.072 -9.553 -1.938 1.00 14.93 H new ATOM 0 HG2 PRO A 51 -24.145 -10.583 -4.204 1.00 15.15 H new ATOM 0 HG3 PRO A 51 -24.002 -8.860 -3.916 1.00 15.15 H new ATOM 0 HD2 PRO A 51 -21.872 -10.971 -3.822 1.00 14.35 H new ATOM 0 HD3 PRO A 51 -21.734 -9.283 -4.273 1.00 14.35 H new ATOM 714 N GLU A 52 -22.463 -11.356 0.056 1.00 14.17 N ATOM 715 CA GLU A 52 -22.329 -12.119 1.293 1.00 14.44 C ATOM 716 C GLU A 52 -21.091 -11.706 2.094 1.00 13.87 C ATOM 717 O GLU A 52 -20.826 -12.250 3.165 1.00 14.17 O ATOM 718 CB GLU A 52 -22.271 -13.613 0.981 1.00 15.45 C ATOM 719 CG GLU A 52 -23.439 -14.097 0.134 1.00 16.21 C ATOM 720 CD GLU A 52 -23.102 -14.163 -1.343 1.00 16.09 C ATOM 721 OE1 GLU A 52 -22.698 -13.129 -1.917 1.00 15.73 O ATOM 722 OE2 GLU A 52 -23.232 -15.254 -1.935 1.00 16.47 O ATOM 0 H GLU A 52 -22.203 -11.872 -0.785 1.00 14.17 H new ATOM 0 HA GLU A 52 -23.204 -11.904 1.906 1.00 14.44 H new ATOM 0 HB2 GLU A 52 -21.339 -13.833 0.461 1.00 15.45 H new ATOM 0 HB3 GLU A 52 -22.253 -14.172 1.917 1.00 15.45 H new ATOM 0 HG2 GLU A 52 -23.747 -15.085 0.477 1.00 16.21 H new ATOM 0 HG3 GLU A 52 -24.289 -13.430 0.279 1.00 16.21 H new ATOM 729 N ASP A 53 -20.338 -10.748 1.576 1.00 13.16 N ATOM 730 CA ASP A 53 -19.134 -10.260 2.246 1.00 12.70 C ATOM 731 C ASP A 53 -19.243 -8.760 2.501 1.00 12.63 C ATOM 732 O ASP A 53 -18.336 -8.145 3.067 1.00 12.77 O ATOM 733 CB ASP A 53 -17.888 -10.545 1.400 1.00 12.21 C ATOM 734 CG ASP A 53 -17.507 -12.013 1.384 1.00 12.39 C ATOM 735 OD1 ASP A 53 -16.799 -12.460 2.307 1.00 11.90 O ATOM 736 OD2 ASP A 53 -17.908 -12.725 0.439 1.00 13.14 O ATOM 0 H ASP A 53 -20.538 -10.288 0.688 1.00 13.16 H new ATOM 0 HA ASP A 53 -19.041 -10.783 3.198 1.00 12.70 H new ATOM 0 HB2 ASP A 53 -18.065 -10.210 0.378 1.00 12.21 H new ATOM 0 HB3 ASP A 53 -17.052 -9.962 1.786 1.00 12.21 H new ATOM 741 N GLN A 54 -20.364 -8.183 2.084 1.00 12.56 N ATOM 742 CA GLN A 54 -20.606 -6.755 2.245 1.00 12.69 C ATOM 743 C GLN A 54 -20.677 -6.361 3.717 1.00 12.06 C ATOM 744 O GLN A 54 -20.072 -5.370 4.129 1.00 11.70 O ATOM 745 CB GLN A 54 -21.890 -6.351 1.519 1.00 13.60 C ATOM 746 CG GLN A 54 -21.704 -6.190 0.018 1.00 14.35 C ATOM 747 CD GLN A 54 -23.003 -5.916 -0.711 1.00 15.27 C ATOM 748 OE1 GLN A 54 -24.060 -6.416 -0.335 1.00 15.83 O ATOM 749 NE2 GLN A 54 -22.935 -5.107 -1.752 1.00 15.52 N ATOM 0 H GLN A 54 -21.125 -8.687 1.629 1.00 12.56 H new ATOM 0 HA GLN A 54 -19.765 -6.221 1.802 1.00 12.69 H new ATOM 0 HB2 GLN A 54 -22.657 -7.103 1.705 1.00 13.60 H new ATOM 0 HB3 GLN A 54 -22.256 -5.413 1.936 1.00 13.60 H new ATOM 0 HG2 GLN A 54 -21.008 -5.373 -0.171 1.00 14.35 H new ATOM 0 HG3 GLN A 54 -21.250 -7.095 -0.386 1.00 14.35 H new ATOM 0 HE21 GLN A 54 -22.038 -4.712 -2.033 1.00 15.52 H new ATOM 0 HE22 GLN A 54 -23.780 -4.877 -2.275 1.00 15.52 H new ATOM 758 N GLN A 55 -21.407 -7.141 4.511 1.00 12.07 N ATOM 759 CA GLN A 55 -21.531 -6.863 5.935 1.00 11.64 C ATOM 760 C GLN A 55 -20.181 -7.054 6.607 1.00 11.18 C ATOM 761 O GLN A 55 -19.815 -6.306 7.510 1.00 11.47 O ATOM 762 CB GLN A 55 -22.592 -7.763 6.576 1.00 12.30 C ATOM 763 CG GLN A 55 -22.954 -7.375 8.002 1.00 13.09 C ATOM 764 CD GLN A 55 -23.222 -5.888 8.165 1.00 13.56 C ATOM 765 OE1 GLN A 55 -23.595 -5.196 7.217 1.00 13.71 O ATOM 766 NE2 GLN A 55 -23.043 -5.393 9.376 1.00 13.94 N ATOM 0 H GLN A 55 -21.918 -7.965 4.193 1.00 12.07 H new ATOM 0 HA GLN A 55 -21.852 -5.830 6.069 1.00 11.64 H new ATOM 0 HB2 GLN A 55 -23.493 -7.737 5.964 1.00 12.30 H new ATOM 0 HB3 GLN A 55 -22.232 -8.792 6.571 1.00 12.30 H new ATOM 0 HG2 GLN A 55 -23.838 -7.933 8.311 1.00 13.09 H new ATOM 0 HG3 GLN A 55 -22.143 -7.667 8.669 1.00 13.09 H new ATOM 0 HE21 GLN A 55 -22.733 -6.000 10.135 1.00 13.94 H new ATOM 0 HE22 GLN A 55 -23.215 -4.403 9.553 1.00 13.94 H new ATOM 775 N LEU A 56 -19.441 -8.055 6.141 1.00 10.67 N ATOM 776 CA LEU A 56 -18.112 -8.341 6.660 1.00 10.41 C ATOM 777 C LEU A 56 -17.217 -7.124 6.461 1.00 9.74 C ATOM 778 O LEU A 56 -16.443 -6.748 7.344 1.00 10.08 O ATOM 779 CB LEU A 56 -17.520 -9.556 5.938 1.00 10.70 C ATOM 780 CG LEU A 56 -16.016 -9.759 6.123 1.00 11.52 C ATOM 781 CD1 LEU A 56 -15.735 -10.510 7.413 1.00 12.11 C ATOM 782 CD2 LEU A 56 -15.435 -10.504 4.933 1.00 11.94 C ATOM 0 H LEU A 56 -19.744 -8.685 5.399 1.00 10.67 H new ATOM 0 HA LEU A 56 -18.179 -8.566 7.724 1.00 10.41 H new ATOM 0 HB2 LEU A 56 -18.036 -10.451 6.286 1.00 10.70 H new ATOM 0 HB3 LEU A 56 -17.729 -9.461 4.872 1.00 10.70 H new ATOM 0 HG LEU A 56 -15.538 -8.781 6.186 1.00 11.52 H new ATOM 0 HD11 LEU A 56 -14.660 -10.646 7.528 1.00 12.11 H new ATOM 0 HD12 LEU A 56 -16.121 -9.940 8.258 1.00 12.11 H new ATOM 0 HD13 LEU A 56 -16.222 -11.485 7.380 1.00 12.11 H new ATOM 0 HD21 LEU A 56 -14.363 -10.642 5.078 1.00 11.94 H new ATOM 0 HD22 LEU A 56 -15.917 -11.477 4.843 1.00 11.94 H new ATOM 0 HD23 LEU A 56 -15.607 -9.928 4.024 1.00 11.94 H new ATOM 794 N LEU A 57 -17.337 -6.511 5.289 1.00 9.01 N ATOM 795 CA LEU A 57 -16.565 -5.326 4.956 1.00 8.57 C ATOM 796 C LEU A 57 -17.004 -4.148 5.819 1.00 8.01 C ATOM 797 O LEU A 57 -16.180 -3.495 6.458 1.00 7.76 O ATOM 798 CB LEU A 57 -16.748 -4.971 3.479 1.00 8.96 C ATOM 799 CG LEU A 57 -15.459 -4.781 2.675 1.00 9.22 C ATOM 800 CD1 LEU A 57 -15.739 -3.972 1.419 1.00 9.38 C ATOM 801 CD2 LEU A 57 -14.386 -4.104 3.515 1.00 9.71 C ATOM 0 H LEU A 57 -17.968 -6.821 4.550 1.00 9.01 H new ATOM 0 HA LEU A 57 -15.513 -5.538 5.147 1.00 8.57 H new ATOM 0 HB2 LEU A 57 -17.336 -5.757 3.006 1.00 8.96 H new ATOM 0 HB3 LEU A 57 -17.332 -4.053 3.415 1.00 8.96 H new ATOM 0 HG LEU A 57 -15.089 -5.765 2.386 1.00 9.22 H new ATOM 0 HD11 LEU A 57 -14.815 -3.843 0.855 1.00 9.38 H new ATOM 0 HD12 LEU A 57 -16.469 -4.497 0.803 1.00 9.38 H new ATOM 0 HD13 LEU A 57 -16.134 -2.995 1.696 1.00 9.38 H new ATOM 0 HD21 LEU A 57 -13.481 -3.981 2.920 1.00 9.71 H new ATOM 0 HD22 LEU A 57 -14.742 -3.126 3.840 1.00 9.71 H new ATOM 0 HD23 LEU A 57 -14.165 -4.719 4.388 1.00 9.71 H new ATOM 813 N ARG A 58 -18.312 -3.905 5.844 1.00 8.00 N ATOM 814 CA ARG A 58 -18.887 -2.802 6.610 1.00 7.77 C ATOM 815 C ARG A 58 -18.522 -2.895 8.091 1.00 7.79 C ATOM 816 O ARG A 58 -18.098 -1.910 8.699 1.00 7.99 O ATOM 817 CB ARG A 58 -20.412 -2.780 6.450 1.00 8.25 C ATOM 818 CG ARG A 58 -21.080 -1.658 7.227 1.00 8.49 C ATOM 819 CD ARG A 58 -22.594 -1.721 7.134 1.00 9.14 C ATOM 820 NE ARG A 58 -23.221 -0.759 8.035 1.00 9.67 N ATOM 821 CZ ARG A 58 -24.450 -0.885 8.530 1.00 10.46 C ATOM 822 NH1 ARG A 58 -25.220 -1.902 8.160 1.00 10.80 N ATOM 823 NH2 ARG A 58 -24.915 0.017 9.383 1.00 11.06 N ATOM 0 H ARG A 58 -18.999 -4.463 5.338 1.00 8.00 H new ATOM 0 HA ARG A 58 -18.469 -1.876 6.217 1.00 7.77 H new ATOM 0 HB2 ARG A 58 -20.658 -2.678 5.393 1.00 8.25 H new ATOM 0 HB3 ARG A 58 -20.819 -3.735 6.781 1.00 8.25 H new ATOM 0 HG2 ARG A 58 -20.779 -1.713 8.273 1.00 8.49 H new ATOM 0 HG3 ARG A 58 -20.734 -0.697 6.846 1.00 8.49 H new ATOM 0 HD2 ARG A 58 -22.906 -1.520 6.109 1.00 9.14 H new ATOM 0 HD3 ARG A 58 -22.934 -2.727 7.379 1.00 9.14 H new ATOM 0 HE ARG A 58 -22.682 0.064 8.303 1.00 9.67 H new ATOM 0 HH11 ARG A 58 -24.870 -2.591 7.494 1.00 10.80 H new ATOM 0 HH12 ARG A 58 -26.161 -1.994 8.542 1.00 10.80 H new ATOM 0 HH21 ARG A 58 -24.331 0.806 9.659 1.00 11.06 H new ATOM 0 HH22 ARG A 58 -25.857 -0.078 9.763 1.00 11.06 H new ATOM 837 N ASP A 59 -18.680 -4.081 8.662 1.00 7.90 N ATOM 838 CA ASP A 59 -18.375 -4.299 10.073 1.00 8.29 C ATOM 839 C ASP A 59 -16.919 -3.971 10.373 1.00 8.20 C ATOM 840 O ASP A 59 -16.615 -3.274 11.344 1.00 8.39 O ATOM 841 CB ASP A 59 -18.676 -5.745 10.475 1.00 8.86 C ATOM 842 CG ASP A 59 -18.338 -6.020 11.925 1.00 9.31 C ATOM 843 OD1 ASP A 59 -19.089 -5.562 12.813 1.00 9.71 O ATOM 844 OD2 ASP A 59 -17.320 -6.692 12.186 1.00 9.46 O ATOM 0 H ASP A 59 -19.018 -4.909 8.171 1.00 7.90 H new ATOM 0 HA ASP A 59 -19.009 -3.631 10.656 1.00 8.29 H new ATOM 0 HB2 ASP A 59 -19.732 -5.955 10.304 1.00 8.86 H new ATOM 0 HB3 ASP A 59 -18.109 -6.423 9.837 1.00 8.86 H new ATOM 849 N SER A 60 -16.026 -4.455 9.518 1.00 8.16 N ATOM 850 CA SER A 60 -14.595 -4.224 9.682 1.00 8.37 C ATOM 851 C SER A 60 -14.256 -2.743 9.515 1.00 8.73 C ATOM 852 O SER A 60 -13.344 -2.231 10.166 1.00 9.52 O ATOM 853 CB SER A 60 -13.817 -5.070 8.675 1.00 8.66 C ATOM 854 OG SER A 60 -14.224 -6.427 8.741 1.00 8.89 O ATOM 0 H SER A 60 -16.269 -5.013 8.700 1.00 8.16 H new ATOM 0 HA SER A 60 -14.308 -4.519 10.692 1.00 8.37 H new ATOM 0 HB2 SER A 60 -13.978 -4.685 7.668 1.00 8.66 H new ATOM 0 HB3 SER A 60 -12.749 -4.995 8.878 1.00 8.66 H new ATOM 0 HG SER A 60 -14.768 -6.644 7.956 1.00 8.89 H new ATOM 860 N PHE A 61 -14.999 -2.060 8.647 1.00 8.33 N ATOM 861 CA PHE A 61 -14.788 -0.636 8.412 1.00 8.80 C ATOM 862 C PHE A 61 -15.054 0.150 9.685 1.00 8.83 C ATOM 863 O PHE A 61 -14.339 1.095 10.007 1.00 9.18 O ATOM 864 CB PHE A 61 -15.694 -0.126 7.290 1.00 9.15 C ATOM 865 CG PHE A 61 -15.109 -0.288 5.916 1.00 9.81 C ATOM 866 CD1 PHE A 61 -13.745 -0.163 5.709 1.00 10.30 C ATOM 867 CD2 PHE A 61 -15.926 -0.561 4.833 1.00 10.14 C ATOM 868 CE1 PHE A 61 -13.207 -0.306 4.448 1.00 11.11 C ATOM 869 CE2 PHE A 61 -15.392 -0.705 3.567 1.00 10.92 C ATOM 870 CZ PHE A 61 -14.030 -0.577 3.375 1.00 11.40 C ATOM 0 H PHE A 61 -15.752 -2.471 8.095 1.00 8.33 H new ATOM 0 HA PHE A 61 -13.750 -0.493 8.110 1.00 8.80 H new ATOM 0 HB2 PHE A 61 -16.645 -0.657 7.334 1.00 9.15 H new ATOM 0 HB3 PHE A 61 -15.909 0.929 7.461 1.00 9.15 H new ATOM 0 HD1 PHE A 61 -13.095 0.049 6.545 1.00 10.30 H new ATOM 0 HD2 PHE A 61 -16.991 -0.662 4.979 1.00 10.14 H new ATOM 0 HE1 PHE A 61 -12.142 -0.206 4.300 1.00 11.11 H new ATOM 0 HE2 PHE A 61 -16.039 -0.917 2.728 1.00 10.92 H new ATOM 0 HZ PHE A 61 -13.610 -0.689 2.386 1.00 11.40 H new ATOM 880 N GLN A 62 -16.082 -0.255 10.414 1.00 8.73 N ATOM 881 CA GLN A 62 -16.429 0.404 11.661 1.00 9.08 C ATOM 882 C GLN A 62 -15.376 0.105 12.722 1.00 9.26 C ATOM 883 O GLN A 62 -15.086 0.937 13.579 1.00 9.50 O ATOM 884 CB GLN A 62 -17.807 -0.051 12.143 1.00 9.51 C ATOM 885 CG GLN A 62 -18.936 0.320 11.193 1.00 9.32 C ATOM 886 CD GLN A 62 -19.126 1.821 11.056 1.00 9.53 C ATOM 887 OE1 GLN A 62 -18.856 2.558 12.122 1.00 9.42 O flip ATOM 888 NE2 GLN A 62 -19.524 2.315 9.999 1.00 10.04 N flip ATOM 0 H GLN A 62 -16.689 -1.035 10.163 1.00 8.73 H new ATOM 0 HA GLN A 62 -16.461 1.480 11.488 1.00 9.08 H new ATOM 0 HB2 GLN A 62 -17.797 -1.133 12.278 1.00 9.51 H new ATOM 0 HB3 GLN A 62 -18.005 0.390 13.120 1.00 9.51 H new ATOM 0 HG2 GLN A 62 -18.732 -0.106 10.211 1.00 9.32 H new ATOM 0 HG3 GLN A 62 -19.864 -0.127 11.548 1.00 9.32 H new ATOM 0 HE21 GLN A 62 -19.722 1.715 9.198 1.00 10.04 H new ATOM 0 HE22 GLN A 62 -19.655 3.324 9.925 1.00 10.04 H new ATOM 897 N GLN A 63 -14.787 -1.083 12.638 1.00 9.36 N ATOM 898 CA GLN A 63 -13.763 -1.506 13.585 1.00 9.71 C ATOM 899 C GLN A 63 -12.503 -0.652 13.455 1.00 10.03 C ATOM 900 O GLN A 63 -11.876 -0.305 14.458 1.00 10.60 O ATOM 901 CB GLN A 63 -13.407 -2.975 13.368 1.00 9.50 C ATOM 902 CG GLN A 63 -14.548 -3.941 13.641 1.00 9.75 C ATOM 903 CD GLN A 63 -14.069 -5.376 13.717 1.00 9.97 C ATOM 904 OE1 GLN A 63 -12.956 -5.643 14.166 1.00 10.06 O ATOM 905 NE2 GLN A 63 -14.894 -6.310 13.274 1.00 10.30 N ATOM 0 H GLN A 63 -15.003 -1.773 11.919 1.00 9.36 H new ATOM 0 HA GLN A 63 -14.169 -1.377 14.588 1.00 9.71 H new ATOM 0 HB2 GLN A 63 -13.072 -3.108 12.339 1.00 9.50 H new ATOM 0 HB3 GLN A 63 -12.566 -3.232 14.012 1.00 9.50 H new ATOM 0 HG2 GLN A 63 -15.035 -3.671 14.578 1.00 9.75 H new ATOM 0 HG3 GLN A 63 -15.297 -3.850 12.854 1.00 9.75 H new ATOM 0 HE21 GLN A 63 -15.810 -6.050 12.908 1.00 10.30 H new ATOM 0 HE22 GLN A 63 -14.614 -7.291 13.298 1.00 10.30 H new ATOM 914 N VAL A 64 -12.138 -0.308 12.224 1.00 9.80 N ATOM 915 CA VAL A 64 -10.948 0.505 11.990 1.00 10.18 C ATOM 916 C VAL A 64 -11.152 1.926 12.518 1.00 10.37 C ATOM 917 O VAL A 64 -10.190 2.616 12.866 1.00 10.25 O ATOM 918 CB VAL A 64 -10.542 0.531 10.494 1.00 10.36 C ATOM 919 CG1 VAL A 64 -11.348 1.551 9.704 1.00 10.34 C ATOM 920 CG2 VAL A 64 -9.052 0.801 10.354 1.00 10.62 C ATOM 0 H VAL A 64 -12.643 -0.576 11.380 1.00 9.80 H new ATOM 0 HA VAL A 64 -10.128 0.041 12.539 1.00 10.18 H new ATOM 0 HB VAL A 64 -10.764 -0.451 10.076 1.00 10.36 H new ATOM 0 HG11 VAL A 64 -11.031 1.536 8.661 1.00 10.34 H new ATOM 0 HG12 VAL A 64 -12.408 1.304 9.765 1.00 10.34 H new ATOM 0 HG13 VAL A 64 -11.183 2.545 10.119 1.00 10.34 H new ATOM 0 HG21 VAL A 64 -8.783 0.816 9.298 1.00 10.62 H new ATOM 0 HG22 VAL A 64 -8.813 1.765 10.803 1.00 10.62 H new ATOM 0 HG23 VAL A 64 -8.491 0.016 10.860 1.00 10.62 H new ATOM 930 N VAL A 65 -12.411 2.352 12.592 1.00 10.88 N ATOM 931 CA VAL A 65 -12.745 3.674 13.105 1.00 11.34 C ATOM 932 C VAL A 65 -12.566 3.683 14.621 1.00 11.77 C ATOM 933 O VAL A 65 -12.150 4.682 15.210 1.00 11.90 O ATOM 934 CB VAL A 65 -14.193 4.074 12.742 1.00 11.81 C ATOM 935 CG1 VAL A 65 -14.551 5.430 13.330 1.00 12.41 C ATOM 936 CG2 VAL A 65 -14.382 4.082 11.232 1.00 11.68 C ATOM 0 H VAL A 65 -13.217 1.798 12.302 1.00 10.88 H new ATOM 0 HA VAL A 65 -12.076 4.402 12.645 1.00 11.34 H new ATOM 0 HB VAL A 65 -14.865 3.332 13.173 1.00 11.81 H new ATOM 0 HG11 VAL A 65 -15.575 5.685 13.058 1.00 12.41 H new ATOM 0 HG12 VAL A 65 -14.463 5.391 14.416 1.00 12.41 H new ATOM 0 HG13 VAL A 65 -13.872 6.187 12.938 1.00 12.41 H new ATOM 0 HG21 VAL A 65 -15.407 4.366 10.995 1.00 11.68 H new ATOM 0 HG22 VAL A 65 -13.694 4.799 10.783 1.00 11.68 H new ATOM 0 HG23 VAL A 65 -14.180 3.087 10.835 1.00 11.68 H new ATOM 946 N LYS A 66 -12.871 2.550 15.239 1.00 12.17 N ATOM 947 CA LYS A 66 -12.727 2.396 16.679 1.00 12.79 C ATOM 948 C LYS A 66 -11.248 2.313 17.040 1.00 12.52 C ATOM 949 O LYS A 66 -10.808 2.868 18.051 1.00 12.98 O ATOM 950 CB LYS A 66 -13.454 1.133 17.153 1.00 13.48 C ATOM 951 CG LYS A 66 -14.943 1.137 16.855 1.00 14.09 C ATOM 952 CD LYS A 66 -15.499 -0.278 16.760 1.00 14.62 C ATOM 953 CE LYS A 66 -15.280 -1.060 18.046 1.00 15.63 C ATOM 954 NZ LYS A 66 -15.938 -2.393 18.007 1.00 16.25 N ATOM 0 H LYS A 66 -13.222 1.720 14.761 1.00 12.17 H new ATOM 0 HA LYS A 66 -13.170 3.260 17.175 1.00 12.79 H new ATOM 0 HB2 LYS A 66 -13.000 0.263 16.678 1.00 13.48 H new ATOM 0 HB3 LYS A 66 -13.308 1.022 18.227 1.00 13.48 H new ATOM 0 HG2 LYS A 66 -15.470 1.684 17.637 1.00 14.09 H new ATOM 0 HG3 LYS A 66 -15.126 1.664 15.919 1.00 14.09 H new ATOM 0 HD2 LYS A 66 -16.565 -0.235 16.538 1.00 14.62 H new ATOM 0 HD3 LYS A 66 -15.022 -0.801 15.931 1.00 14.62 H new ATOM 0 HE2 LYS A 66 -14.211 -1.188 18.214 1.00 15.63 H new ATOM 0 HE3 LYS A 66 -15.669 -0.488 18.889 1.00 15.63 H new ATOM 0 HZ1 LYS A 66 -15.764 -2.892 18.902 1.00 16.25 H new ATOM 0 HZ2 LYS A 66 -16.962 -2.271 17.872 1.00 16.25 H new ATOM 0 HZ3 LYS A 66 -15.549 -2.949 17.219 1.00 16.25 H new ATOM 968 N LEU A 67 -10.495 1.617 16.194 1.00 11.90 N ATOM 969 CA LEU A 67 -9.061 1.443 16.384 1.00 11.71 C ATOM 970 C LEU A 67 -8.326 2.772 16.250 1.00 11.44 C ATOM 971 O LEU A 67 -7.568 3.157 17.138 1.00 11.79 O ATOM 972 CB LEU A 67 -8.511 0.436 15.369 1.00 11.29 C ATOM 973 CG LEU A 67 -8.865 -1.025 15.645 1.00 11.71 C ATOM 974 CD1 LEU A 67 -8.528 -1.889 14.440 1.00 11.30 C ATOM 975 CD2 LEU A 67 -8.129 -1.521 16.878 1.00 12.66 C ATOM 0 H LEU A 67 -10.862 1.159 15.360 1.00 11.90 H new ATOM 0 HA LEU A 67 -8.897 1.061 17.392 1.00 11.71 H new ATOM 0 HB2 LEU A 67 -8.882 0.702 14.379 1.00 11.29 H new ATOM 0 HB3 LEU A 67 -7.426 0.531 15.339 1.00 11.29 H new ATOM 0 HG LEU A 67 -9.937 -1.095 15.830 1.00 11.71 H new ATOM 0 HD11 LEU A 67 -8.786 -2.926 14.653 1.00 11.30 H new ATOM 0 HD12 LEU A 67 -9.095 -1.544 13.575 1.00 11.30 H new ATOM 0 HD13 LEU A 67 -7.461 -1.817 14.227 1.00 11.30 H new ATOM 0 HD21 LEU A 67 -8.390 -2.563 17.063 1.00 12.66 H new ATOM 0 HD22 LEU A 67 -7.054 -1.439 16.717 1.00 12.66 H new ATOM 0 HD23 LEU A 67 -8.414 -0.917 17.739 1.00 12.66 H new ATOM 987 N LYS A 68 -8.559 3.456 15.129 1.00 11.01 N ATOM 988 CA LYS A 68 -7.941 4.755 14.849 1.00 10.94 C ATOM 989 C LYS A 68 -6.416 4.677 14.809 1.00 10.41 C ATOM 990 O LYS A 68 -5.741 4.820 15.833 1.00 10.69 O ATOM 991 CB LYS A 68 -8.384 5.803 15.871 1.00 11.97 C ATOM 992 CG LYS A 68 -9.588 6.613 15.426 1.00 12.39 C ATOM 993 CD LYS A 68 -9.846 7.772 16.367 1.00 13.41 C ATOM 994 CE LYS A 68 -10.948 8.678 15.848 1.00 13.95 C ATOM 995 NZ LYS A 68 -11.122 9.878 16.703 1.00 14.83 N ATOM 0 H LYS A 68 -9.180 3.127 14.390 1.00 11.01 H new ATOM 0 HA LYS A 68 -8.282 5.055 13.858 1.00 10.94 H new ATOM 0 HB2 LYS A 68 -8.619 5.305 16.812 1.00 11.97 H new ATOM 0 HB3 LYS A 68 -7.553 6.481 16.068 1.00 11.97 H new ATOM 0 HG2 LYS A 68 -9.423 6.990 14.417 1.00 12.39 H new ATOM 0 HG3 LYS A 68 -10.468 5.970 15.386 1.00 12.39 H new ATOM 0 HD2 LYS A 68 -10.121 7.389 17.350 1.00 13.41 H new ATOM 0 HD3 LYS A 68 -8.930 8.349 16.495 1.00 13.41 H new ATOM 0 HE2 LYS A 68 -10.714 8.988 14.829 1.00 13.95 H new ATOM 0 HE3 LYS A 68 -11.885 8.123 15.805 1.00 13.95 H new ATOM 0 HZ1 LYS A 68 -11.860 10.489 16.298 1.00 14.83 H new ATOM 0 HZ2 LYS A 68 -11.403 9.584 17.660 1.00 14.83 H new ATOM 0 HZ3 LYS A 68 -10.226 10.403 16.751 1.00 14.83 H new ATOM 1009 N GLY A 69 -5.879 4.446 13.622 1.00 9.80 N ATOM 1010 CA GLY A 69 -4.441 4.371 13.462 1.00 9.42 C ATOM 1011 C GLY A 69 -3.946 2.955 13.265 1.00 9.15 C ATOM 1012 O GLY A 69 -2.800 2.742 12.876 1.00 9.55 O ATOM 0 H GLY A 69 -6.413 4.309 12.764 1.00 9.80 H new ATOM 0 HA2 GLY A 69 -4.143 4.977 12.607 1.00 9.42 H new ATOM 0 HA3 GLY A 69 -3.959 4.800 14.340 1.00 9.42 H new ATOM 1016 N GLN A 70 -4.800 1.985 13.537 1.00 8.62 N ATOM 1017 CA GLN A 70 -4.429 0.588 13.381 1.00 8.50 C ATOM 1018 C GLN A 70 -4.904 0.064 12.035 1.00 7.86 C ATOM 1019 O GLN A 70 -6.080 0.186 11.695 1.00 7.96 O ATOM 1020 CB GLN A 70 -5.016 -0.254 14.517 1.00 8.66 C ATOM 1021 CG GLN A 70 -4.496 -1.682 14.552 1.00 9.04 C ATOM 1022 CD GLN A 70 -2.988 -1.745 14.690 1.00 8.99 C ATOM 1023 OE1 GLN A 70 -2.262 -1.735 13.694 1.00 8.60 O ATOM 1024 NE2 GLN A 70 -2.506 -1.805 15.922 1.00 9.59 N ATOM 0 H GLN A 70 -5.753 2.137 13.866 1.00 8.62 H new ATOM 0 HA GLN A 70 -3.342 0.512 13.422 1.00 8.50 H new ATOM 0 HB2 GLN A 70 -4.791 0.228 15.468 1.00 8.66 H new ATOM 0 HB3 GLN A 70 -6.101 -0.274 14.419 1.00 8.66 H new ATOM 0 HG2 GLN A 70 -4.957 -2.213 15.385 1.00 9.04 H new ATOM 0 HG3 GLN A 70 -4.796 -2.198 13.640 1.00 9.04 H new ATOM 0 HE21 GLN A 70 -3.143 -1.811 16.719 1.00 9.59 H new ATOM 0 HE22 GLN A 70 -1.498 -1.845 16.074 1.00 9.59 H new ATOM 1033 N VAL A 71 -3.981 -0.502 11.273 1.00 7.44 N ATOM 1034 CA VAL A 71 -4.304 -1.045 9.964 1.00 7.11 C ATOM 1035 C VAL A 71 -4.924 -2.434 10.097 1.00 6.68 C ATOM 1036 O VAL A 71 -4.274 -3.388 10.535 1.00 6.65 O ATOM 1037 CB VAL A 71 -3.065 -1.082 9.031 1.00 7.45 C ATOM 1038 CG1 VAL A 71 -1.862 -1.698 9.728 1.00 8.10 C ATOM 1039 CG2 VAL A 71 -3.373 -1.820 7.734 1.00 7.17 C ATOM 0 H VAL A 71 -3.001 -0.597 11.540 1.00 7.44 H new ATOM 0 HA VAL A 71 -5.035 -0.379 9.505 1.00 7.11 H new ATOM 0 HB VAL A 71 -2.815 -0.051 8.783 1.00 7.45 H new ATOM 0 HG11 VAL A 71 -1.012 -1.708 9.046 1.00 8.10 H new ATOM 0 HG12 VAL A 71 -1.612 -1.109 10.611 1.00 8.10 H new ATOM 0 HG13 VAL A 71 -2.099 -2.719 10.028 1.00 8.10 H new ATOM 0 HG21 VAL A 71 -2.486 -1.829 7.101 1.00 7.17 H new ATOM 0 HG22 VAL A 71 -3.668 -2.845 7.960 1.00 7.17 H new ATOM 0 HG23 VAL A 71 -4.186 -1.315 7.212 1.00 7.17 H new ATOM 1049 N LEU A 72 -6.194 -2.529 9.744 1.00 6.60 N ATOM 1050 CA LEU A 72 -6.919 -3.785 9.821 1.00 6.50 C ATOM 1051 C LEU A 72 -7.091 -4.385 8.431 1.00 6.09 C ATOM 1052 O LEU A 72 -7.725 -3.793 7.555 1.00 5.82 O ATOM 1053 CB LEU A 72 -8.285 -3.580 10.481 1.00 6.93 C ATOM 1054 CG LEU A 72 -9.072 -4.864 10.758 1.00 7.33 C ATOM 1055 CD1 LEU A 72 -8.341 -5.735 11.768 1.00 7.61 C ATOM 1056 CD2 LEU A 72 -10.470 -4.531 11.254 1.00 7.80 C ATOM 0 H LEU A 72 -6.748 -1.745 9.399 1.00 6.60 H new ATOM 0 HA LEU A 72 -6.340 -4.477 10.432 1.00 6.50 H new ATOM 0 HB2 LEU A 72 -8.140 -3.051 11.423 1.00 6.93 H new ATOM 0 HB3 LEU A 72 -8.887 -2.934 9.842 1.00 6.93 H new ATOM 0 HG LEU A 72 -9.158 -5.422 9.826 1.00 7.33 H new ATOM 0 HD11 LEU A 72 -8.917 -6.642 11.951 1.00 7.61 H new ATOM 0 HD12 LEU A 72 -7.359 -6.001 11.376 1.00 7.61 H new ATOM 0 HD13 LEU A 72 -8.222 -5.187 12.702 1.00 7.61 H new ATOM 0 HD21 LEU A 72 -11.017 -5.454 11.447 1.00 7.80 H new ATOM 0 HD22 LEU A 72 -10.401 -3.951 12.174 1.00 7.80 H new ATOM 0 HD23 LEU A 72 -10.996 -3.949 10.497 1.00 7.80 H new ATOM 1068 N SER A 73 -6.512 -5.554 8.233 1.00 6.37 N ATOM 1069 CA SER A 73 -6.589 -6.243 6.960 1.00 6.44 C ATOM 1070 C SER A 73 -7.838 -7.126 6.883 1.00 6.58 C ATOM 1071 O SER A 73 -7.917 -8.168 7.536 1.00 7.12 O ATOM 1072 CB SER A 73 -5.326 -7.084 6.774 1.00 7.06 C ATOM 1073 OG SER A 73 -4.710 -7.357 8.029 1.00 7.59 O ATOM 0 H SER A 73 -5.978 -6.050 8.946 1.00 6.37 H new ATOM 0 HA SER A 73 -6.661 -5.506 6.160 1.00 6.44 H new ATOM 0 HB2 SER A 73 -5.577 -8.020 6.276 1.00 7.06 H new ATOM 0 HB3 SER A 73 -4.625 -6.557 6.127 1.00 7.06 H new ATOM 0 HG SER A 73 -3.905 -7.898 7.888 1.00 7.59 H new ATOM 1079 N VAL A 74 -8.819 -6.698 6.100 1.00 6.36 N ATOM 1080 CA VAL A 74 -10.047 -7.460 5.933 1.00 6.77 C ATOM 1081 C VAL A 74 -10.011 -8.219 4.607 1.00 6.50 C ATOM 1082 O VAL A 74 -9.822 -7.630 3.541 1.00 6.07 O ATOM 1083 CB VAL A 74 -11.306 -6.557 6.009 1.00 7.13 C ATOM 1084 CG1 VAL A 74 -11.179 -5.341 5.104 1.00 6.85 C ATOM 1085 CG2 VAL A 74 -12.563 -7.347 5.673 1.00 7.84 C ATOM 0 H VAL A 74 -8.787 -5.827 5.571 1.00 6.36 H new ATOM 0 HA VAL A 74 -10.112 -8.172 6.756 1.00 6.77 H new ATOM 0 HB VAL A 74 -11.388 -6.199 7.035 1.00 7.13 H new ATOM 0 HG11 VAL A 74 -12.080 -4.732 5.184 1.00 6.85 H new ATOM 0 HG12 VAL A 74 -10.314 -4.751 5.407 1.00 6.85 H new ATOM 0 HG13 VAL A 74 -11.052 -5.667 4.072 1.00 6.85 H new ATOM 0 HG21 VAL A 74 -13.432 -6.691 5.733 1.00 7.84 H new ATOM 0 HG22 VAL A 74 -12.481 -7.749 4.663 1.00 7.84 H new ATOM 0 HG23 VAL A 74 -12.678 -8.167 6.382 1.00 7.84 H new ATOM 1095 N MET A 75 -10.162 -9.534 4.680 1.00 7.05 N ATOM 1096 CA MET A 75 -10.133 -10.369 3.489 1.00 7.23 C ATOM 1097 C MET A 75 -11.543 -10.726 3.040 1.00 7.58 C ATOM 1098 O MET A 75 -12.299 -11.370 3.772 1.00 8.07 O ATOM 1099 CB MET A 75 -9.330 -11.643 3.751 1.00 7.58 C ATOM 1100 CG MET A 75 -9.150 -12.519 2.520 1.00 8.16 C ATOM 1101 SD MET A 75 -8.323 -14.075 2.896 1.00 8.88 S ATOM 1102 CE MET A 75 -8.176 -14.777 1.255 1.00 9.35 C ATOM 0 H MET A 75 -10.306 -10.045 5.551 1.00 7.05 H new ATOM 0 HA MET A 75 -9.651 -9.803 2.692 1.00 7.23 H new ATOM 0 HB2 MET A 75 -8.348 -11.370 4.138 1.00 7.58 H new ATOM 0 HB3 MET A 75 -9.829 -12.222 4.528 1.00 7.58 H new ATOM 0 HG2 MET A 75 -10.125 -12.727 2.080 1.00 8.16 H new ATOM 0 HG3 MET A 75 -8.572 -11.975 1.772 1.00 8.16 H new ATOM 0 HE1 MET A 75 -7.423 -15.565 1.262 1.00 9.35 H new ATOM 0 HE2 MET A 75 -9.136 -15.195 0.951 1.00 9.35 H new ATOM 0 HE3 MET A 75 -7.880 -13.999 0.552 1.00 9.35 H new ATOM 1112 N PHE A 76 -11.885 -10.301 1.838 1.00 7.53 N ATOM 1113 CA PHE A 76 -13.193 -10.567 1.260 1.00 7.96 C ATOM 1114 C PHE A 76 -13.050 -10.750 -0.243 1.00 8.18 C ATOM 1115 O PHE A 76 -11.935 -10.816 -0.756 1.00 8.37 O ATOM 1116 CB PHE A 76 -14.162 -9.417 1.565 1.00 7.98 C ATOM 1117 CG PHE A 76 -13.710 -8.083 1.036 1.00 8.18 C ATOM 1118 CD1 PHE A 76 -12.833 -7.298 1.761 1.00 8.46 C ATOM 1119 CD2 PHE A 76 -14.160 -7.620 -0.189 1.00 8.59 C ATOM 1120 CE1 PHE A 76 -12.413 -6.077 1.277 1.00 9.07 C ATOM 1121 CE2 PHE A 76 -13.743 -6.400 -0.680 1.00 9.23 C ATOM 1122 CZ PHE A 76 -12.868 -5.628 0.053 1.00 9.66 C ATOM 0 H PHE A 76 -11.265 -9.762 1.233 1.00 7.53 H new ATOM 0 HA PHE A 76 -13.599 -11.478 1.700 1.00 7.96 H new ATOM 0 HB2 PHE A 76 -15.137 -9.654 1.140 1.00 7.98 H new ATOM 0 HB3 PHE A 76 -14.294 -9.343 2.644 1.00 7.98 H new ATOM 0 HD1 PHE A 76 -12.472 -7.645 2.718 1.00 8.46 H new ATOM 0 HD2 PHE A 76 -14.846 -8.221 -0.767 1.00 8.59 H new ATOM 0 HE1 PHE A 76 -11.729 -5.473 1.854 1.00 9.07 H new ATOM 0 HE2 PHE A 76 -14.102 -6.051 -1.637 1.00 9.23 H new ATOM 0 HZ PHE A 76 -12.539 -4.673 -0.329 1.00 9.66 H new ATOM 1132 N ARG A 77 -14.167 -10.831 -0.945 1.00 8.33 N ATOM 1133 CA ARG A 77 -14.137 -10.987 -2.390 1.00 8.76 C ATOM 1134 C ARG A 77 -14.633 -9.719 -3.071 1.00 8.37 C ATOM 1135 O ARG A 77 -15.766 -9.284 -2.857 1.00 8.58 O ATOM 1136 CB ARG A 77 -14.950 -12.203 -2.833 1.00 9.53 C ATOM 1137 CG ARG A 77 -14.101 -13.454 -2.986 1.00 10.38 C ATOM 1138 CD ARG A 77 -14.926 -14.643 -3.441 1.00 11.13 C ATOM 1139 NE ARG A 77 -15.733 -15.195 -2.356 1.00 11.57 N ATOM 1140 CZ ARG A 77 -16.606 -16.184 -2.509 1.00 12.50 C ATOM 1141 NH1 ARG A 77 -16.780 -16.747 -3.699 1.00 13.10 N ATOM 1142 NH2 ARG A 77 -17.297 -16.616 -1.466 1.00 12.92 N ATOM 0 H ARG A 77 -15.103 -10.792 -0.541 1.00 8.33 H new ATOM 0 HA ARG A 77 -13.104 -11.157 -2.692 1.00 8.76 H new ATOM 0 HB2 ARG A 77 -15.739 -12.392 -2.105 1.00 9.53 H new ATOM 0 HB3 ARG A 77 -15.438 -11.982 -3.782 1.00 9.53 H new ATOM 0 HG2 ARG A 77 -13.305 -13.267 -3.707 1.00 10.38 H new ATOM 0 HG3 ARG A 77 -13.622 -13.687 -2.035 1.00 10.38 H new ATOM 0 HD2 ARG A 77 -15.578 -14.340 -4.260 1.00 11.13 H new ATOM 0 HD3 ARG A 77 -14.264 -15.416 -3.830 1.00 11.13 H new ATOM 0 HE ARG A 77 -15.619 -14.797 -1.424 1.00 11.57 H new ATOM 0 HH11 ARG A 77 -16.242 -16.420 -4.501 1.00 13.10 H new ATOM 0 HH12 ARG A 77 -17.452 -17.506 -3.811 1.00 13.10 H new ATOM 0 HH21 ARG A 77 -17.158 -16.190 -0.550 1.00 12.92 H new ATOM 0 HH22 ARG A 77 -17.969 -17.375 -1.578 1.00 12.92 H new ATOM 1156 N PHE A 78 -13.765 -9.135 -3.880 1.00 8.00 N ATOM 1157 CA PHE A 78 -14.067 -7.906 -4.597 1.00 7.81 C ATOM 1158 C PHE A 78 -14.396 -8.215 -6.054 1.00 7.97 C ATOM 1159 O PHE A 78 -13.926 -9.213 -6.607 1.00 8.21 O ATOM 1160 CB PHE A 78 -12.861 -6.960 -4.512 1.00 8.16 C ATOM 1161 CG PHE A 78 -13.192 -5.506 -4.714 1.00 8.43 C ATOM 1162 CD1 PHE A 78 -13.757 -4.760 -3.692 1.00 8.53 C ATOM 1163 CD2 PHE A 78 -12.926 -4.884 -5.922 1.00 8.83 C ATOM 1164 CE1 PHE A 78 -14.054 -3.422 -3.873 1.00 8.94 C ATOM 1165 CE2 PHE A 78 -13.217 -3.548 -6.110 1.00 9.26 C ATOM 1166 CZ PHE A 78 -13.781 -2.815 -5.084 1.00 9.28 C ATOM 0 H PHE A 78 -12.829 -9.500 -4.059 1.00 8.00 H new ATOM 0 HA PHE A 78 -14.934 -7.425 -4.143 1.00 7.81 H new ATOM 0 HB2 PHE A 78 -12.389 -7.080 -3.537 1.00 8.16 H new ATOM 0 HB3 PHE A 78 -12.127 -7.260 -5.260 1.00 8.16 H new ATOM 0 HD1 PHE A 78 -13.968 -5.230 -2.743 1.00 8.53 H new ATOM 0 HD2 PHE A 78 -12.485 -5.452 -6.728 1.00 8.83 H new ATOM 0 HE1 PHE A 78 -14.498 -2.853 -3.070 1.00 8.94 H new ATOM 0 HE2 PHE A 78 -13.004 -3.076 -7.058 1.00 9.26 H new ATOM 0 HZ PHE A 78 -14.008 -1.769 -5.228 1.00 9.28 H new ATOM 1176 N ARG A 79 -15.212 -7.367 -6.661 1.00 7.99 N ATOM 1177 CA ARG A 79 -15.606 -7.544 -8.049 1.00 8.38 C ATOM 1178 C ARG A 79 -14.612 -6.859 -8.976 1.00 8.66 C ATOM 1179 O ARG A 79 -14.287 -5.685 -8.797 1.00 8.73 O ATOM 1180 CB ARG A 79 -17.009 -6.980 -8.288 1.00 8.53 C ATOM 1181 CG ARG A 79 -17.691 -7.548 -9.522 1.00 9.41 C ATOM 1182 CD ARG A 79 -19.081 -6.962 -9.715 1.00 9.82 C ATOM 1183 NE ARG A 79 -19.035 -5.597 -10.234 1.00 10.05 N ATOM 1184 CZ ARG A 79 -19.961 -4.669 -9.991 1.00 10.46 C ATOM 1185 NH1 ARG A 79 -21.023 -4.950 -9.244 1.00 10.67 N ATOM 1186 NH2 ARG A 79 -19.824 -3.458 -10.514 1.00 10.87 N ATOM 0 H ARG A 79 -15.616 -6.546 -6.211 1.00 7.99 H new ATOM 0 HA ARG A 79 -15.615 -8.612 -8.265 1.00 8.38 H new ATOM 0 HB2 ARG A 79 -17.628 -7.185 -7.414 1.00 8.53 H new ATOM 0 HB3 ARG A 79 -16.944 -5.896 -8.385 1.00 8.53 H new ATOM 0 HG2 ARG A 79 -17.083 -7.340 -10.402 1.00 9.41 H new ATOM 0 HG3 ARG A 79 -17.762 -8.632 -9.432 1.00 9.41 H new ATOM 0 HD2 ARG A 79 -19.647 -7.591 -10.402 1.00 9.82 H new ATOM 0 HD3 ARG A 79 -19.613 -6.970 -8.763 1.00 9.82 H new ATOM 0 HE ARG A 79 -18.242 -5.337 -10.821 1.00 10.05 H new ATOM 0 HH11 ARG A 79 -21.136 -5.884 -8.850 1.00 10.67 H new ATOM 0 HH12 ARG A 79 -21.725 -4.232 -9.065 1.00 10.67 H new ATOM 0 HH21 ARG A 79 -19.015 -3.243 -11.097 1.00 10.87 H new ATOM 0 HH22 ARG A 79 -20.528 -2.742 -10.333 1.00 10.87 H new ATOM 1200 N SER A 80 -14.120 -7.596 -9.952 1.00 9.00 N ATOM 1201 CA SER A 80 -13.171 -7.048 -10.906 1.00 9.50 C ATOM 1202 C SER A 80 -13.914 -6.418 -12.078 1.00 9.93 C ATOM 1203 O SER A 80 -15.146 -6.374 -12.092 1.00 10.23 O ATOM 1204 CB SER A 80 -12.250 -8.153 -11.419 1.00 10.33 C ATOM 1205 OG SER A 80 -12.942 -9.006 -12.318 1.00 10.77 O ATOM 0 H SER A 80 -14.360 -8.575 -10.107 1.00 9.00 H new ATOM 0 HA SER A 80 -12.574 -6.284 -10.408 1.00 9.50 H new ATOM 0 HB2 SER A 80 -11.388 -7.712 -11.919 1.00 10.33 H new ATOM 0 HB3 SER A 80 -11.868 -8.734 -10.579 1.00 10.33 H new ATOM 0 HG SER A 80 -12.327 -9.687 -12.662 1.00 10.77 H new ATOM 1211 N LYS A 81 -13.165 -5.944 -13.067 1.00 10.16 N ATOM 1212 CA LYS A 81 -13.760 -5.348 -14.255 1.00 10.81 C ATOM 1213 C LYS A 81 -14.386 -6.450 -15.107 1.00 11.44 C ATOM 1214 O LYS A 81 -15.182 -6.190 -16.006 1.00 11.77 O ATOM 1215 CB LYS A 81 -12.700 -4.577 -15.048 1.00 11.28 C ATOM 1216 CG LYS A 81 -13.258 -3.759 -16.205 1.00 11.83 C ATOM 1217 CD LYS A 81 -14.270 -2.726 -15.731 1.00 11.83 C ATOM 1218 CE LYS A 81 -14.787 -1.885 -16.889 1.00 12.62 C ATOM 1219 NZ LYS A 81 -15.914 -1.004 -16.485 1.00 12.66 N ATOM 0 H LYS A 81 -12.145 -5.961 -13.069 1.00 10.16 H new ATOM 0 HA LYS A 81 -14.537 -4.642 -13.963 1.00 10.81 H new ATOM 0 HB2 LYS A 81 -12.169 -3.910 -14.369 1.00 11.28 H new ATOM 0 HB3 LYS A 81 -11.968 -5.284 -15.438 1.00 11.28 H new ATOM 0 HG2 LYS A 81 -12.441 -3.256 -16.722 1.00 11.83 H new ATOM 0 HG3 LYS A 81 -13.730 -4.425 -16.927 1.00 11.83 H new ATOM 0 HD2 LYS A 81 -15.105 -3.229 -15.243 1.00 11.83 H new ATOM 0 HD3 LYS A 81 -13.809 -2.078 -14.986 1.00 11.83 H new ATOM 0 HE2 LYS A 81 -13.975 -1.275 -17.283 1.00 12.62 H new ATOM 0 HE3 LYS A 81 -15.113 -2.542 -17.696 1.00 12.62 H new ATOM 0 HZ1 LYS A 81 -16.553 -0.865 -17.294 1.00 12.66 H new ATOM 0 HZ2 LYS A 81 -16.437 -1.446 -15.702 1.00 12.66 H new ATOM 0 HZ3 LYS A 81 -15.542 -0.083 -16.176 1.00 12.66 H new ATOM 1233 N ASN A 82 -14.025 -7.690 -14.788 1.00 11.74 N ATOM 1234 CA ASN A 82 -14.547 -8.860 -15.479 1.00 12.49 C ATOM 1235 C ASN A 82 -15.800 -9.352 -14.769 1.00 12.28 C ATOM 1236 O ASN A 82 -16.389 -10.365 -15.150 1.00 12.86 O ATOM 1237 CB ASN A 82 -13.507 -9.984 -15.503 1.00 13.32 C ATOM 1238 CG ASN A 82 -12.259 -9.628 -16.285 1.00 13.91 C ATOM 1239 OD1 ASN A 82 -12.325 -8.964 -17.318 1.00 14.05 O ATOM 1240 ND2 ASN A 82 -11.108 -10.058 -15.789 1.00 14.42 N ATOM 0 H ASN A 82 -13.363 -7.909 -14.044 1.00 11.74 H new ATOM 0 HA ASN A 82 -14.785 -8.579 -16.505 1.00 12.49 H new ATOM 0 HB2 ASN A 82 -13.227 -10.233 -14.479 1.00 13.32 H new ATOM 0 HB3 ASN A 82 -13.957 -10.877 -15.937 1.00 13.32 H new ATOM 0 HD21 ASN A 82 -10.234 -9.841 -16.267 1.00 14.42 H new ATOM 0 HD22 ASN A 82 -11.096 -10.606 -14.929 1.00 14.42 H new ATOM 1247 N GLN A 83 -16.177 -8.627 -13.713 1.00 11.60 N ATOM 1248 CA GLN A 83 -17.357 -8.943 -12.907 1.00 11.56 C ATOM 1249 C GLN A 83 -17.167 -10.245 -12.131 1.00 11.14 C ATOM 1250 O GLN A 83 -18.136 -10.888 -11.726 1.00 11.21 O ATOM 1251 CB GLN A 83 -18.616 -9.009 -13.781 1.00 12.34 C ATOM 1252 CG GLN A 83 -19.334 -7.673 -13.931 1.00 12.60 C ATOM 1253 CD GLN A 83 -18.400 -6.533 -14.289 1.00 12.46 C ATOM 1254 OE1 GLN A 83 -17.900 -5.825 -13.415 1.00 12.29 O ATOM 1255 NE2 GLN A 83 -18.153 -6.354 -15.575 1.00 12.69 N ATOM 0 H GLN A 83 -15.670 -7.802 -13.393 1.00 11.60 H new ATOM 0 HA GLN A 83 -17.487 -8.139 -12.182 1.00 11.56 H new ATOM 0 HB2 GLN A 83 -18.341 -9.376 -14.770 1.00 12.34 H new ATOM 0 HB3 GLN A 83 -19.306 -9.735 -13.352 1.00 12.34 H new ATOM 0 HG2 GLN A 83 -20.100 -7.763 -14.702 1.00 12.60 H new ATOM 0 HG3 GLN A 83 -19.846 -7.436 -12.999 1.00 12.60 H new ATOM 0 HE21 GLN A 83 -18.588 -6.963 -16.268 1.00 12.69 H new ATOM 0 HE22 GLN A 83 -17.527 -5.606 -15.875 1.00 12.69 H new ATOM 1264 N GLU A 84 -15.913 -10.619 -11.908 1.00 10.85 N ATOM 1265 CA GLU A 84 -15.606 -11.833 -11.169 1.00 10.56 C ATOM 1266 C GLU A 84 -15.343 -11.493 -9.705 1.00 10.07 C ATOM 1267 O GLU A 84 -15.188 -10.321 -9.356 1.00 10.08 O ATOM 1268 CB GLU A 84 -14.398 -12.550 -11.785 1.00 10.45 C ATOM 1269 CG GLU A 84 -13.055 -11.934 -11.419 1.00 10.43 C ATOM 1270 CD GLU A 84 -12.005 -12.124 -12.495 1.00 10.44 C ATOM 1271 OE1 GLU A 84 -11.532 -13.264 -12.681 1.00 10.71 O ATOM 1272 OE2 GLU A 84 -11.643 -11.132 -13.155 1.00 10.24 O ATOM 0 H GLU A 84 -15.096 -10.099 -12.228 1.00 10.85 H new ATOM 0 HA GLU A 84 -16.461 -12.507 -11.226 1.00 10.56 H new ATOM 0 HB2 GLU A 84 -14.406 -13.592 -11.466 1.00 10.45 H new ATOM 0 HB3 GLU A 84 -14.503 -12.548 -12.870 1.00 10.45 H new ATOM 0 HG2 GLU A 84 -13.189 -10.868 -11.233 1.00 10.43 H new ATOM 0 HG3 GLU A 84 -12.699 -12.378 -10.489 1.00 10.43 H new ATOM 1279 N TRP A 85 -15.293 -12.510 -8.861 1.00 9.78 N ATOM 1280 CA TRP A 85 -15.055 -12.310 -7.439 1.00 9.50 C ATOM 1281 C TRP A 85 -13.664 -12.800 -7.055 1.00 9.40 C ATOM 1282 O TRP A 85 -13.408 -14.005 -7.028 1.00 9.53 O ATOM 1283 CB TRP A 85 -16.110 -13.050 -6.611 1.00 9.93 C ATOM 1284 CG TRP A 85 -17.513 -12.602 -6.885 1.00 10.24 C ATOM 1285 CD1 TRP A 85 -18.521 -13.345 -7.432 1.00 10.93 C ATOM 1286 CD2 TRP A 85 -18.067 -11.306 -6.629 1.00 10.07 C ATOM 1287 NE1 TRP A 85 -19.666 -12.592 -7.526 1.00 11.20 N ATOM 1288 CE2 TRP A 85 -19.412 -11.338 -7.043 1.00 10.68 C ATOM 1289 CE3 TRP A 85 -17.556 -10.123 -6.088 1.00 9.65 C ATOM 1290 CZ2 TRP A 85 -20.250 -10.232 -6.932 1.00 10.85 C ATOM 1291 CZ3 TRP A 85 -18.390 -9.028 -5.981 1.00 9.84 C ATOM 1292 CH2 TRP A 85 -19.724 -9.090 -6.401 1.00 10.42 C ATOM 0 H TRP A 85 -15.414 -13.485 -9.135 1.00 9.78 H new ATOM 0 HA TRP A 85 -15.124 -11.242 -7.230 1.00 9.50 H new ATOM 0 HB2 TRP A 85 -16.033 -14.119 -6.812 1.00 9.93 H new ATOM 0 HB3 TRP A 85 -15.893 -12.909 -5.552 1.00 9.93 H new ATOM 0 HD1 TRP A 85 -18.431 -14.375 -7.745 1.00 10.93 H new ATOM 0 HE1 TRP A 85 -20.560 -12.915 -7.896 1.00 11.20 H new ATOM 0 HE3 TRP A 85 -16.529 -10.067 -5.760 1.00 9.65 H new ATOM 0 HZ2 TRP A 85 -21.280 -10.276 -7.255 1.00 10.85 H new ATOM 0 HZ3 TRP A 85 -18.007 -8.108 -5.566 1.00 9.84 H new ATOM 0 HH2 TRP A 85 -20.350 -8.216 -6.303 1.00 10.42 H new ATOM 1303 N LEU A 86 -12.769 -11.869 -6.767 1.00 9.37 N ATOM 1304 CA LEU A 86 -11.408 -12.216 -6.382 1.00 9.51 C ATOM 1305 C LEU A 86 -11.179 -11.907 -4.909 1.00 8.86 C ATOM 1306 O LEU A 86 -11.805 -11.003 -4.353 1.00 8.45 O ATOM 1307 CB LEU A 86 -10.388 -11.472 -7.254 1.00 10.04 C ATOM 1308 CG LEU A 86 -10.598 -9.960 -7.383 1.00 10.26 C ATOM 1309 CD1 LEU A 86 -9.811 -9.213 -6.317 1.00 10.30 C ATOM 1310 CD2 LEU A 86 -10.192 -9.489 -8.771 1.00 11.12 C ATOM 0 H LEU A 86 -12.959 -10.867 -6.792 1.00 9.37 H new ATOM 0 HA LEU A 86 -11.270 -13.286 -6.538 1.00 9.51 H new ATOM 0 HB2 LEU A 86 -9.393 -11.648 -6.846 1.00 10.04 H new ATOM 0 HB3 LEU A 86 -10.405 -11.909 -8.253 1.00 10.04 H new ATOM 0 HG LEU A 86 -11.657 -9.746 -7.236 1.00 10.26 H new ATOM 0 HD11 LEU A 86 -9.975 -8.141 -6.428 1.00 10.30 H new ATOM 0 HD12 LEU A 86 -10.144 -9.531 -5.329 1.00 10.30 H new ATOM 0 HD13 LEU A 86 -8.749 -9.431 -6.429 1.00 10.30 H new ATOM 0 HD21 LEU A 86 -10.346 -8.413 -8.850 1.00 11.12 H new ATOM 0 HD22 LEU A 86 -9.140 -9.718 -8.940 1.00 11.12 H new ATOM 0 HD23 LEU A 86 -10.799 -9.998 -9.520 1.00 11.12 H new ATOM 1322 N TRP A 87 -10.288 -12.656 -4.278 1.00 8.98 N ATOM 1323 CA TRP A 87 -9.993 -12.457 -2.866 1.00 8.61 C ATOM 1324 C TRP A 87 -9.087 -11.248 -2.675 1.00 8.55 C ATOM 1325 O TRP A 87 -7.966 -11.205 -3.190 1.00 9.23 O ATOM 1326 CB TRP A 87 -9.356 -13.709 -2.264 1.00 9.13 C ATOM 1327 CG TRP A 87 -10.322 -14.844 -2.118 1.00 9.35 C ATOM 1328 CD1 TRP A 87 -10.470 -15.908 -2.957 1.00 9.76 C ATOM 1329 CD2 TRP A 87 -11.286 -15.020 -1.073 1.00 9.44 C ATOM 1330 NE1 TRP A 87 -11.461 -16.740 -2.495 1.00 10.06 N ATOM 1331 CE2 TRP A 87 -11.977 -16.217 -1.340 1.00 9.89 C ATOM 1332 CE3 TRP A 87 -11.629 -14.284 0.061 1.00 9.42 C ATOM 1333 CZ2 TRP A 87 -12.989 -16.692 -0.512 1.00 10.28 C ATOM 1334 CZ3 TRP A 87 -12.634 -14.756 0.883 1.00 9.85 C ATOM 1335 CH2 TRP A 87 -13.305 -15.951 0.592 1.00 10.26 C ATOM 0 H TRP A 87 -9.757 -13.406 -4.720 1.00 8.98 H new ATOM 0 HA TRP A 87 -10.931 -12.269 -2.344 1.00 8.61 H new ATOM 0 HB2 TRP A 87 -8.524 -14.026 -2.894 1.00 9.13 H new ATOM 0 HB3 TRP A 87 -8.941 -13.465 -1.286 1.00 9.13 H new ATOM 0 HD1 TRP A 87 -9.892 -16.073 -3.854 1.00 9.76 H new ATOM 0 HE1 TRP A 87 -11.763 -17.607 -2.940 1.00 10.06 H new ATOM 0 HE3 TRP A 87 -11.118 -13.361 0.292 1.00 9.42 H new ATOM 0 HZ2 TRP A 87 -13.507 -17.614 -0.734 1.00 10.28 H new ATOM 0 HZ3 TRP A 87 -12.907 -14.195 1.764 1.00 9.85 H new ATOM 0 HH2 TRP A 87 -14.087 -16.293 1.253 1.00 10.26 H new ATOM 1346 N MET A 88 -9.580 -10.272 -1.933 1.00 7.94 N ATOM 1347 CA MET A 88 -8.841 -9.048 -1.681 1.00 7.99 C ATOM 1348 C MET A 88 -8.583 -8.861 -0.191 1.00 7.92 C ATOM 1349 O MET A 88 -9.473 -9.074 0.633 1.00 7.76 O ATOM 1350 CB MET A 88 -9.627 -7.848 -2.218 1.00 8.19 C ATOM 1351 CG MET A 88 -8.855 -6.541 -2.171 1.00 8.29 C ATOM 1352 SD MET A 88 -7.842 -6.281 -3.640 1.00 8.99 S ATOM 1353 CE MET A 88 -9.097 -5.883 -4.851 1.00 9.32 C ATOM 0 H MET A 88 -10.498 -10.305 -1.491 1.00 7.94 H new ATOM 0 HA MET A 88 -7.881 -9.119 -2.192 1.00 7.99 H new ATOM 0 HB2 MET A 88 -9.921 -8.049 -3.248 1.00 8.19 H new ATOM 0 HB3 MET A 88 -10.545 -7.738 -1.640 1.00 8.19 H new ATOM 0 HG2 MET A 88 -9.556 -5.713 -2.066 1.00 8.29 H new ATOM 0 HG3 MET A 88 -8.217 -6.532 -1.288 1.00 8.29 H new ATOM 0 HE1 MET A 88 -8.861 -6.375 -5.795 1.00 9.32 H new ATOM 0 HE2 MET A 88 -10.068 -6.227 -4.495 1.00 9.32 H new ATOM 0 HE3 MET A 88 -9.128 -4.804 -5.002 1.00 9.32 H new ATOM 1363 N ARG A 89 -7.357 -8.483 0.144 1.00 8.22 N ATOM 1364 CA ARG A 89 -6.978 -8.230 1.523 1.00 8.32 C ATOM 1365 C ARG A 89 -6.884 -6.724 1.734 1.00 8.38 C ATOM 1366 O ARG A 89 -5.801 -6.139 1.669 1.00 8.80 O ATOM 1367 CB ARG A 89 -5.639 -8.894 1.847 1.00 8.70 C ATOM 1368 CG ARG A 89 -5.350 -8.989 3.335 1.00 8.73 C ATOM 1369 CD ARG A 89 -3.858 -8.920 3.618 1.00 9.56 C ATOM 1370 NE ARG A 89 -3.371 -7.540 3.660 1.00 9.63 N ATOM 1371 CZ ARG A 89 -2.451 -7.098 4.523 1.00 10.18 C ATOM 1372 NH1 ARG A 89 -1.960 -7.905 5.455 1.00 10.66 N ATOM 1373 NH2 ARG A 89 -2.050 -5.835 4.474 1.00 10.44 N ATOM 0 H ARG A 89 -6.603 -8.344 -0.529 1.00 8.22 H new ATOM 0 HA ARG A 89 -7.730 -8.653 2.189 1.00 8.32 H new ATOM 0 HB2 ARG A 89 -5.627 -9.896 1.419 1.00 8.70 H new ATOM 0 HB3 ARG A 89 -4.839 -8.332 1.365 1.00 8.70 H new ATOM 0 HG2 ARG A 89 -5.858 -8.179 3.858 1.00 8.73 H new ATOM 0 HG3 ARG A 89 -5.753 -9.923 3.726 1.00 8.73 H new ATOM 0 HD2 ARG A 89 -3.647 -9.408 4.569 1.00 9.56 H new ATOM 0 HD3 ARG A 89 -3.317 -9.472 2.849 1.00 9.56 H new ATOM 0 HE ARG A 89 -3.757 -6.875 2.990 1.00 9.63 H new ATOM 0 HH11 ARG A 89 -2.284 -8.870 5.516 1.00 10.66 H new ATOM 0 HH12 ARG A 89 -1.258 -7.560 6.110 1.00 10.66 H new ATOM 0 HH21 ARG A 89 -2.444 -5.202 3.778 1.00 10.44 H new ATOM 0 HH22 ARG A 89 -1.348 -5.497 5.132 1.00 10.44 H new ATOM 1387 N THR A 90 -8.028 -6.105 1.956 1.00 8.13 N ATOM 1388 CA THR A 90 -8.098 -4.671 2.150 1.00 8.31 C ATOM 1389 C THR A 90 -7.514 -4.248 3.494 1.00 7.80 C ATOM 1390 O THR A 90 -8.077 -4.521 4.555 1.00 7.13 O ATOM 1391 CB THR A 90 -9.552 -4.177 2.024 1.00 8.83 C ATOM 1392 OG1 THR A 90 -9.987 -4.325 0.669 1.00 9.37 O ATOM 1393 CG2 THR A 90 -9.688 -2.720 2.443 1.00 9.12 C ATOM 0 H THR A 90 -8.929 -6.580 2.007 1.00 8.13 H new ATOM 0 HA THR A 90 -7.495 -4.210 1.367 1.00 8.31 H new ATOM 0 HB THR A 90 -10.172 -4.778 2.689 1.00 8.83 H new ATOM 0 HG1 THR A 90 -10.896 -4.692 0.655 1.00 9.37 H new ATOM 0 HG21 THR A 90 -10.727 -2.407 2.341 1.00 9.12 H new ATOM 0 HG22 THR A 90 -9.377 -2.610 3.482 1.00 9.12 H new ATOM 0 HG23 THR A 90 -9.058 -2.098 1.807 1.00 9.12 H new ATOM 1401 N SER A 91 -6.366 -3.596 3.434 1.00 8.27 N ATOM 1402 CA SER A 91 -5.696 -3.102 4.622 1.00 8.04 C ATOM 1403 C SER A 91 -6.228 -1.707 4.949 1.00 8.00 C ATOM 1404 O SER A 91 -5.749 -0.711 4.407 1.00 8.20 O ATOM 1405 CB SER A 91 -4.186 -3.066 4.383 1.00 7.83 C ATOM 1406 OG SER A 91 -3.799 -4.054 3.433 1.00 8.08 O ATOM 0 H SER A 91 -5.874 -3.395 2.563 1.00 8.27 H new ATOM 0 HA SER A 91 -5.893 -3.763 5.466 1.00 8.04 H new ATOM 0 HB2 SER A 91 -3.893 -2.078 4.026 1.00 7.83 H new ATOM 0 HB3 SER A 91 -3.661 -3.234 5.323 1.00 7.83 H new ATOM 0 HG SER A 91 -4.080 -3.774 2.537 1.00 8.08 H new ATOM 1412 N SER A 92 -7.234 -1.649 5.807 1.00 7.99 N ATOM 1413 CA SER A 92 -7.851 -0.385 6.180 1.00 8.16 C ATOM 1414 C SER A 92 -7.049 0.329 7.263 1.00 8.34 C ATOM 1415 O SER A 92 -6.781 -0.229 8.325 1.00 8.27 O ATOM 1416 CB SER A 92 -9.284 -0.631 6.649 1.00 8.49 C ATOM 1417 OG SER A 92 -10.007 -1.384 5.686 1.00 8.65 O ATOM 0 H SER A 92 -7.643 -2.466 6.260 1.00 7.99 H new ATOM 0 HA SER A 92 -7.865 0.262 5.303 1.00 8.16 H new ATOM 0 HB2 SER A 92 -9.274 -1.163 7.600 1.00 8.49 H new ATOM 0 HB3 SER A 92 -9.784 0.322 6.822 1.00 8.49 H new ATOM 0 HG SER A 92 -10.147 -0.840 4.883 1.00 8.65 H new ATOM 1423 N PHE A 93 -6.662 1.557 6.974 1.00 8.79 N ATOM 1424 CA PHE A 93 -5.897 2.373 7.899 1.00 9.24 C ATOM 1425 C PHE A 93 -6.605 3.708 8.124 1.00 9.05 C ATOM 1426 O PHE A 93 -6.912 4.427 7.171 1.00 8.84 O ATOM 1427 CB PHE A 93 -4.487 2.599 7.343 1.00 9.87 C ATOM 1428 CG PHE A 93 -3.667 3.584 8.124 1.00 10.37 C ATOM 1429 CD1 PHE A 93 -3.193 3.267 9.384 1.00 10.90 C ATOM 1430 CD2 PHE A 93 -3.367 4.827 7.589 1.00 10.50 C ATOM 1431 CE1 PHE A 93 -2.437 4.172 10.100 1.00 11.50 C ATOM 1432 CE2 PHE A 93 -2.609 5.735 8.301 1.00 11.09 C ATOM 1433 CZ PHE A 93 -2.143 5.406 9.557 1.00 11.56 C ATOM 0 H PHE A 93 -6.870 2.019 6.088 1.00 8.79 H new ATOM 0 HA PHE A 93 -5.818 1.858 8.856 1.00 9.24 H new ATOM 0 HB2 PHE A 93 -3.961 1.645 7.318 1.00 9.87 H new ATOM 0 HB3 PHE A 93 -4.566 2.946 6.313 1.00 9.87 H new ATOM 0 HD1 PHE A 93 -3.417 2.301 9.812 1.00 10.90 H new ATOM 0 HD2 PHE A 93 -3.730 5.088 6.606 1.00 10.50 H new ATOM 0 HE1 PHE A 93 -2.076 3.915 11.085 1.00 11.50 H new ATOM 0 HE2 PHE A 93 -2.381 6.701 7.875 1.00 11.09 H new ATOM 0 HZ PHE A 93 -1.548 6.114 10.115 1.00 11.56 H new ATOM 1443 N THR A 94 -6.870 4.027 9.382 1.00 9.35 N ATOM 1444 CA THR A 94 -7.543 5.268 9.733 1.00 9.46 C ATOM 1445 C THR A 94 -6.601 6.465 9.624 1.00 9.94 C ATOM 1446 O THR A 94 -5.494 6.442 10.162 1.00 10.16 O ATOM 1447 CB THR A 94 -8.100 5.189 11.166 1.00 9.25 C ATOM 1448 OG1 THR A 94 -7.887 3.871 11.701 1.00 9.37 O ATOM 1449 CG2 THR A 94 -9.583 5.520 11.188 1.00 9.37 C ATOM 0 H THR A 94 -6.628 3.440 10.180 1.00 9.35 H new ATOM 0 HA THR A 94 -8.362 5.406 9.027 1.00 9.46 H new ATOM 0 HB THR A 94 -7.574 5.920 11.781 1.00 9.25 H new ATOM 0 HG1 THR A 94 -8.722 3.537 12.089 1.00 9.37 H new ATOM 0 HG21 THR A 94 -9.955 5.458 12.211 1.00 9.37 H new ATOM 0 HG22 THR A 94 -9.736 6.530 10.807 1.00 9.37 H new ATOM 0 HG23 THR A 94 -10.124 4.810 10.562 1.00 9.37 H new ATOM 1457 N PHE A 95 -7.044 7.503 8.922 1.00 10.31 N ATOM 1458 CA PHE A 95 -6.246 8.710 8.752 1.00 10.96 C ATOM 1459 C PHE A 95 -6.920 9.888 9.455 1.00 11.35 C ATOM 1460 O PHE A 95 -7.978 10.359 9.026 1.00 11.51 O ATOM 1461 CB PHE A 95 -6.059 9.017 7.261 1.00 11.11 C ATOM 1462 CG PHE A 95 -4.848 9.859 6.953 1.00 11.84 C ATOM 1463 CD1 PHE A 95 -3.996 10.280 7.965 1.00 11.76 C ATOM 1464 CD2 PHE A 95 -4.562 10.225 5.650 1.00 12.08 C ATOM 1465 CE1 PHE A 95 -2.885 11.048 7.678 1.00 11.93 C ATOM 1466 CE2 PHE A 95 -3.450 10.993 5.357 1.00 12.25 C ATOM 1467 CZ PHE A 95 -2.612 11.405 6.373 1.00 12.11 C ATOM 0 H PHE A 95 -7.953 7.532 8.461 1.00 10.31 H new ATOM 0 HA PHE A 95 -5.265 8.549 9.200 1.00 10.96 H new ATOM 0 HB2 PHE A 95 -5.983 8.077 6.714 1.00 11.11 H new ATOM 0 HB3 PHE A 95 -6.948 9.529 6.892 1.00 11.11 H new ATOM 0 HD1 PHE A 95 -4.204 10.004 8.988 1.00 11.76 H new ATOM 0 HD2 PHE A 95 -5.216 9.907 4.851 1.00 12.08 H new ATOM 0 HE1 PHE A 95 -2.230 11.369 8.474 1.00 11.93 H new ATOM 0 HE2 PHE A 95 -3.238 11.270 4.335 1.00 12.25 H new ATOM 0 HZ PHE A 95 -1.744 12.006 6.147 1.00 12.11 H new ATOM 1477 N GLN A 96 -6.317 10.346 10.543 1.00 11.67 N ATOM 1478 CA GLN A 96 -6.866 11.461 11.304 1.00 12.26 C ATOM 1479 C GLN A 96 -5.967 12.684 11.203 1.00 12.40 C ATOM 1480 O GLN A 96 -4.755 12.567 11.003 1.00 12.58 O ATOM 1481 CB GLN A 96 -7.028 11.091 12.779 1.00 12.87 C ATOM 1482 CG GLN A 96 -7.920 9.891 13.031 1.00 13.00 C ATOM 1483 CD GLN A 96 -7.140 8.692 13.527 1.00 13.42 C ATOM 1484 OE1 GLN A 96 -6.866 7.756 12.777 1.00 13.10 O ATOM 1485 NE2 GLN A 96 -6.761 8.725 14.794 1.00 14.24 N ATOM 0 H GLN A 96 -5.449 9.964 10.919 1.00 11.67 H new ATOM 0 HA GLN A 96 -7.843 11.691 10.878 1.00 12.26 H new ATOM 0 HB2 GLN A 96 -6.043 10.891 13.201 1.00 12.87 H new ATOM 0 HB3 GLN A 96 -7.435 11.949 13.313 1.00 12.87 H new ATOM 0 HG2 GLN A 96 -8.682 10.155 13.764 1.00 13.00 H new ATOM 0 HG3 GLN A 96 -8.441 9.628 12.110 1.00 13.00 H new ATOM 0 HE21 GLN A 96 -7.010 9.521 15.380 1.00 14.24 H new ATOM 0 HE22 GLN A 96 -6.219 7.954 15.185 1.00 14.24 H new ATOM 1494 N ASN A 97 -6.567 13.856 11.346 1.00 12.50 N ATOM 1495 CA ASN A 97 -5.824 15.104 11.303 1.00 12.84 C ATOM 1496 C ASN A 97 -5.418 15.493 12.719 1.00 13.26 C ATOM 1497 O ASN A 97 -6.158 15.228 13.668 1.00 13.46 O ATOM 1498 CB ASN A 97 -6.664 16.215 10.670 1.00 12.77 C ATOM 1499 CG ASN A 97 -6.101 16.686 9.344 1.00 13.20 C ATOM 1500 OD1 ASN A 97 -5.241 17.568 9.294 1.00 13.83 O ATOM 1501 ND2 ASN A 97 -6.586 16.108 8.257 1.00 13.02 N ATOM 0 H ASN A 97 -7.570 13.968 11.493 1.00 12.50 H new ATOM 0 HA ASN A 97 -4.933 14.966 10.691 1.00 12.84 H new ATOM 0 HB2 ASN A 97 -7.682 15.856 10.521 1.00 12.77 H new ATOM 0 HB3 ASN A 97 -6.721 17.059 11.357 1.00 12.77 H new ATOM 0 HD21 ASN A 97 -6.249 16.389 7.336 1.00 13.02 H new ATOM 0 HD22 ASN A 97 -7.297 15.382 8.340 1.00 13.02 H new ATOM 1508 N PRO A 98 -4.243 16.119 12.892 1.00 13.57 N ATOM 1509 CA PRO A 98 -3.750 16.528 14.214 1.00 14.16 C ATOM 1510 C PRO A 98 -4.464 17.764 14.771 1.00 14.64 C ATOM 1511 O PRO A 98 -3.891 18.528 15.547 1.00 15.34 O ATOM 1512 CB PRO A 98 -2.272 16.833 13.953 1.00 14.43 C ATOM 1513 CG PRO A 98 -2.220 17.253 12.525 1.00 14.13 C ATOM 1514 CD PRO A 98 -3.291 16.464 11.817 1.00 13.56 C ATOM 0 HA PRO A 98 -3.923 15.756 14.964 1.00 14.16 H new ATOM 0 HB2 PRO A 98 -1.908 17.622 14.611 1.00 14.43 H new ATOM 0 HB3 PRO A 98 -1.649 15.956 14.131 1.00 14.43 H new ATOM 0 HG2 PRO A 98 -2.397 18.324 12.427 1.00 14.13 H new ATOM 0 HG3 PRO A 98 -1.239 17.051 12.095 1.00 14.13 H new ATOM 0 HD2 PRO A 98 -3.769 17.052 11.033 1.00 13.56 H new ATOM 0 HD3 PRO A 98 -2.883 15.572 11.342 1.00 13.56 H new ATOM 1522 N TYR A 99 -5.716 17.958 14.380 1.00 14.40 N ATOM 1523 CA TYR A 99 -6.488 19.097 14.850 1.00 14.96 C ATOM 1524 C TYR A 99 -7.392 18.675 15.994 1.00 14.99 C ATOM 1525 O TYR A 99 -7.232 19.121 17.129 1.00 15.65 O ATOM 1526 CB TYR A 99 -7.319 19.689 13.713 1.00 15.01 C ATOM 1527 CG TYR A 99 -6.509 20.489 12.722 1.00 14.39 C ATOM 1528 CD1 TYR A 99 -5.732 19.860 11.757 1.00 14.95 C ATOM 1529 CD2 TYR A 99 -6.520 21.876 12.754 1.00 14.52 C ATOM 1530 CE1 TYR A 99 -4.989 20.593 10.854 1.00 15.60 C ATOM 1531 CE2 TYR A 99 -5.781 22.614 11.853 1.00 15.18 C ATOM 1532 CZ TYR A 99 -5.017 21.969 10.906 1.00 16.89 C ATOM 1533 OH TYR A 99 -4.281 22.705 10.008 1.00 16.50 O ATOM 0 H TYR A 99 -6.217 17.342 13.740 1.00 14.40 H new ATOM 0 HA TYR A 99 -5.798 19.862 15.206 1.00 14.96 H new ATOM 0 HB2 TYR A 99 -7.826 18.880 13.186 1.00 15.01 H new ATOM 0 HB3 TYR A 99 -8.094 20.329 14.136 1.00 15.01 H new ATOM 0 HD1 TYR A 99 -5.709 18.781 11.713 1.00 14.95 H new ATOM 0 HD2 TYR A 99 -7.117 22.386 13.496 1.00 14.52 H new ATOM 0 HE1 TYR A 99 -4.389 20.090 10.110 1.00 15.60 H new ATOM 0 HE2 TYR A 99 -5.801 23.693 11.890 1.00 15.18 H new ATOM 0 HH TYR A 99 -4.414 23.660 10.182 1.00 16.50 H new ATOM 1543 N SER A 100 -8.334 17.803 15.687 1.00 14.39 N ATOM 1544 CA SER A 100 -9.266 17.295 16.677 1.00 14.53 C ATOM 1545 C SER A 100 -9.371 15.782 16.552 1.00 14.18 C ATOM 1546 O SER A 100 -10.321 15.169 17.046 1.00 14.16 O ATOM 1547 CB SER A 100 -10.640 17.939 16.485 1.00 14.72 C ATOM 1548 OG SER A 100 -10.558 19.350 16.584 1.00 14.89 O ATOM 0 H SER A 100 -8.475 17.428 14.749 1.00 14.39 H new ATOM 0 HA SER A 100 -8.902 17.545 17.673 1.00 14.53 H new ATOM 0 HB2 SER A 100 -11.042 17.662 15.511 1.00 14.72 H new ATOM 0 HB3 SER A 100 -11.332 17.558 17.236 1.00 14.72 H new ATOM 0 HG SER A 100 -11.448 19.739 16.456 1.00 14.89 H new ATOM 1554 N ASP A 101 -8.376 15.195 15.883 1.00 14.07 N ATOM 1555 CA ASP A 101 -8.321 13.752 15.648 1.00 13.92 C ATOM 1556 C ASP A 101 -9.498 13.325 14.781 1.00 13.12 C ATOM 1557 O ASP A 101 -10.043 12.227 14.925 1.00 13.21 O ATOM 1558 CB ASP A 101 -8.306 12.974 16.971 1.00 14.53 C ATOM 1559 CG ASP A 101 -7.847 11.539 16.799 1.00 14.57 C ATOM 1560 OD1 ASP A 101 -6.741 11.320 16.262 1.00 14.75 O ATOM 1561 OD2 ASP A 101 -8.588 10.622 17.212 1.00 14.77 O ATOM 0 H ASP A 101 -7.587 15.707 15.489 1.00 14.07 H new ATOM 0 HA ASP A 101 -7.394 13.522 15.123 1.00 13.92 H new ATOM 0 HB2 ASP A 101 -7.648 13.480 17.678 1.00 14.53 H new ATOM 0 HB3 ASP A 101 -9.306 12.982 17.404 1.00 14.53 H new ATOM 1566 N GLU A 102 -9.880 14.211 13.873 1.00 12.49 N ATOM 1567 CA GLU A 102 -10.989 13.957 12.972 1.00 11.85 C ATOM 1568 C GLU A 102 -10.535 13.078 11.817 1.00 11.00 C ATOM 1569 O GLU A 102 -9.521 13.358 11.175 1.00 10.88 O ATOM 1570 CB GLU A 102 -11.577 15.267 12.424 1.00 11.92 C ATOM 1571 CG GLU A 102 -11.052 16.531 13.091 1.00 12.55 C ATOM 1572 CD GLU A 102 -9.697 16.962 12.562 1.00 12.62 C ATOM 1573 OE1 GLU A 102 -9.641 17.556 11.461 1.00 12.82 O ATOM 1574 OE2 GLU A 102 -8.684 16.704 13.245 1.00 12.95 O ATOM 0 H GLU A 102 -9.433 15.118 13.742 1.00 12.49 H new ATOM 0 HA GLU A 102 -11.766 13.443 13.538 1.00 11.85 H new ATOM 0 HB2 GLU A 102 -11.368 15.323 11.356 1.00 11.92 H new ATOM 0 HB3 GLU A 102 -12.661 15.237 12.536 1.00 11.92 H new ATOM 0 HG2 GLU A 102 -11.768 17.339 12.941 1.00 12.55 H new ATOM 0 HG3 GLU A 102 -10.980 16.365 14.166 1.00 12.55 H new ATOM 1581 N ILE A 103 -11.286 12.019 11.555 1.00 10.60 N ATOM 1582 CA ILE A 103 -10.957 11.102 10.476 1.00 9.97 C ATOM 1583 C ILE A 103 -11.439 11.668 9.153 1.00 9.53 C ATOM 1584 O ILE A 103 -12.641 11.691 8.885 1.00 9.56 O ATOM 1585 CB ILE A 103 -11.601 9.717 10.688 1.00 10.32 C ATOM 1586 CG1 ILE A 103 -11.316 9.206 12.102 1.00 10.72 C ATOM 1587 CG2 ILE A 103 -11.088 8.728 9.649 1.00 10.45 C ATOM 1588 CD1 ILE A 103 -12.110 7.973 12.472 1.00 11.11 C ATOM 0 H ILE A 103 -12.128 11.774 12.076 1.00 10.60 H new ATOM 0 HA ILE A 103 -9.874 10.983 10.467 1.00 9.97 H new ATOM 0 HB ILE A 103 -12.680 9.814 10.568 1.00 10.32 H new ATOM 0 HG12 ILE A 103 -10.253 8.984 12.191 1.00 10.72 H new ATOM 0 HG13 ILE A 103 -11.537 9.998 12.817 1.00 10.72 H new ATOM 0 HG21 ILE A 103 -11.552 7.755 9.812 1.00 10.45 H new ATOM 0 HG22 ILE A 103 -11.338 9.087 8.651 1.00 10.45 H new ATOM 0 HG23 ILE A 103 -10.006 8.634 9.740 1.00 10.45 H new ATOM 0 HD11 ILE A 103 -11.856 7.668 13.487 1.00 11.11 H new ATOM 0 HD12 ILE A 103 -13.175 8.196 12.415 1.00 11.11 H new ATOM 0 HD13 ILE A 103 -11.871 7.165 11.780 1.00 11.11 H new ATOM 1600 N GLU A 104 -10.507 12.137 8.334 1.00 9.35 N ATOM 1601 CA GLU A 104 -10.860 12.699 7.040 1.00 9.23 C ATOM 1602 C GLU A 104 -11.328 11.599 6.095 1.00 8.49 C ATOM 1603 O GLU A 104 -12.334 11.751 5.402 1.00 7.95 O ATOM 1604 CB GLU A 104 -9.691 13.485 6.438 1.00 9.71 C ATOM 1605 CG GLU A 104 -8.327 12.829 6.599 1.00 10.37 C ATOM 1606 CD GLU A 104 -7.225 13.637 5.942 1.00 11.10 C ATOM 1607 OE1 GLU A 104 -7.533 14.688 5.335 1.00 11.65 O ATOM 1608 OE2 GLU A 104 -6.047 13.234 6.026 1.00 11.22 O ATOM 0 H GLU A 104 -9.508 12.139 8.542 1.00 9.35 H new ATOM 0 HA GLU A 104 -11.682 13.400 7.185 1.00 9.23 H new ATOM 0 HB2 GLU A 104 -9.882 13.636 5.376 1.00 9.71 H new ATOM 0 HB3 GLU A 104 -9.660 14.472 6.899 1.00 9.71 H new ATOM 0 HG2 GLU A 104 -8.105 12.710 7.660 1.00 10.37 H new ATOM 0 HG3 GLU A 104 -8.352 11.830 6.164 1.00 10.37 H new ATOM 1615 N TYR A 105 -10.608 10.484 6.091 1.00 8.69 N ATOM 1616 CA TYR A 105 -10.958 9.348 5.254 1.00 8.30 C ATOM 1617 C TYR A 105 -10.198 8.107 5.703 1.00 8.30 C ATOM 1618 O TYR A 105 -9.322 8.183 6.568 1.00 8.50 O ATOM 1619 CB TYR A 105 -10.705 9.634 3.763 1.00 8.40 C ATOM 1620 CG TYR A 105 -9.294 10.059 3.414 1.00 8.90 C ATOM 1621 CD1 TYR A 105 -8.277 9.123 3.280 1.00 9.14 C ATOM 1622 CD2 TYR A 105 -8.987 11.395 3.201 1.00 9.14 C ATOM 1623 CE1 TYR A 105 -6.994 9.506 2.943 1.00 9.56 C ATOM 1624 CE2 TYR A 105 -7.705 11.788 2.867 1.00 9.54 C ATOM 1625 CZ TYR A 105 -6.712 10.839 2.738 1.00 9.84 C ATOM 1626 OH TYR A 105 -5.435 11.222 2.395 1.00 10.30 O ATOM 0 H TYR A 105 -9.774 10.344 6.662 1.00 8.69 H new ATOM 0 HA TYR A 105 -12.027 9.168 5.370 1.00 8.30 H new ATOM 0 HB2 TYR A 105 -10.948 8.738 3.192 1.00 8.40 H new ATOM 0 HB3 TYR A 105 -11.392 10.415 3.438 1.00 8.40 H new ATOM 0 HD1 TYR A 105 -8.493 8.077 3.442 1.00 9.14 H new ATOM 0 HD2 TYR A 105 -9.763 12.140 3.298 1.00 9.14 H new ATOM 0 HE1 TYR A 105 -6.215 8.765 2.841 1.00 9.56 H new ATOM 0 HE2 TYR A 105 -7.482 12.833 2.708 1.00 9.54 H new ATOM 0 HH TYR A 105 -4.845 11.128 3.172 1.00 10.30 H new ATOM 1636 N ILE A 106 -10.544 6.971 5.122 1.00 8.31 N ATOM 1637 CA ILE A 106 -9.907 5.710 5.463 1.00 8.58 C ATOM 1638 C ILE A 106 -9.052 5.212 4.303 1.00 7.97 C ATOM 1639 O ILE A 106 -9.543 5.039 3.183 1.00 7.37 O ATOM 1640 CB ILE A 106 -10.950 4.627 5.830 1.00 9.05 C ATOM 1641 CG1 ILE A 106 -11.910 5.150 6.906 1.00 9.92 C ATOM 1642 CG2 ILE A 106 -10.258 3.354 6.304 1.00 9.27 C ATOM 1643 CD1 ILE A 106 -13.074 4.222 7.189 1.00 10.29 C ATOM 0 H ILE A 106 -11.268 6.896 4.407 1.00 8.31 H new ATOM 0 HA ILE A 106 -9.275 5.892 6.332 1.00 8.58 H new ATOM 0 HB ILE A 106 -11.528 4.390 4.937 1.00 9.05 H new ATOM 0 HG12 ILE A 106 -11.353 5.312 7.829 1.00 9.92 H new ATOM 0 HG13 ILE A 106 -12.298 6.120 6.594 1.00 9.92 H new ATOM 0 HG21 ILE A 106 -11.008 2.605 6.557 1.00 9.27 H new ATOM 0 HG22 ILE A 106 -9.617 2.971 5.510 1.00 9.27 H new ATOM 0 HG23 ILE A 106 -9.654 3.574 7.184 1.00 9.27 H new ATOM 0 HD11 ILE A 106 -13.709 4.659 7.960 1.00 10.29 H new ATOM 0 HD12 ILE A 106 -13.655 4.079 6.278 1.00 10.29 H new ATOM 0 HD13 ILE A 106 -12.696 3.259 7.533 1.00 10.29 H new ATOM 1655 N ILE A 107 -7.773 5.002 4.575 1.00 8.33 N ATOM 1656 CA ILE A 107 -6.844 4.511 3.574 1.00 8.06 C ATOM 1657 C ILE A 107 -6.924 2.994 3.515 1.00 8.29 C ATOM 1658 O ILE A 107 -6.529 2.310 4.454 1.00 8.62 O ATOM 1659 CB ILE A 107 -5.394 4.942 3.891 1.00 8.25 C ATOM 1660 CG1 ILE A 107 -5.239 6.453 3.707 1.00 8.19 C ATOM 1661 CG2 ILE A 107 -4.396 4.193 3.017 1.00 8.99 C ATOM 1662 CD1 ILE A 107 -3.925 6.995 4.227 1.00 8.61 C ATOM 0 H ILE A 107 -7.354 5.166 5.490 1.00 8.33 H new ATOM 0 HA ILE A 107 -7.120 4.939 2.611 1.00 8.06 H new ATOM 0 HB ILE A 107 -5.184 4.691 4.931 1.00 8.25 H new ATOM 0 HG12 ILE A 107 -5.327 6.692 2.647 1.00 8.19 H new ATOM 0 HG13 ILE A 107 -6.059 6.959 4.218 1.00 8.19 H new ATOM 0 HG21 ILE A 107 -3.384 4.516 3.261 1.00 8.99 H new ATOM 0 HG22 ILE A 107 -4.488 3.122 3.196 1.00 8.99 H new ATOM 0 HG23 ILE A 107 -4.601 4.405 1.968 1.00 8.99 H new ATOM 0 HD11 ILE A 107 -3.885 8.072 4.063 1.00 8.61 H new ATOM 0 HD12 ILE A 107 -3.842 6.787 5.294 1.00 8.61 H new ATOM 0 HD13 ILE A 107 -3.100 6.517 3.699 1.00 8.61 H new ATOM 1674 N CYS A 108 -7.451 2.466 2.431 1.00 8.31 N ATOM 1675 CA CYS A 108 -7.580 1.029 2.298 1.00 8.72 C ATOM 1676 C CYS A 108 -6.637 0.480 1.237 1.00 8.90 C ATOM 1677 O CYS A 108 -6.820 0.711 0.041 1.00 8.95 O ATOM 1678 CB CYS A 108 -9.022 0.655 1.971 1.00 8.88 C ATOM 1679 SG CYS A 108 -10.152 0.828 3.371 1.00 9.83 S ATOM 0 H CYS A 108 -7.795 3.004 1.635 1.00 8.31 H new ATOM 0 HA CYS A 108 -7.304 0.580 3.252 1.00 8.72 H new ATOM 0 HB2 CYS A 108 -9.374 1.282 1.152 1.00 8.88 H new ATOM 0 HB3 CYS A 108 -9.050 -0.376 1.618 1.00 8.88 H new ATOM 0 HG CYS A 108 -11.130 1.619 3.044 1.00 9.83 H new ATOM 1685 N THR A 109 -5.622 -0.235 1.691 1.00 9.18 N ATOM 1686 CA THR A 109 -4.657 -0.848 0.800 1.00 9.57 C ATOM 1687 C THR A 109 -5.212 -2.178 0.316 1.00 9.52 C ATOM 1688 O THR A 109 -5.174 -3.176 1.037 1.00 9.93 O ATOM 1689 CB THR A 109 -3.310 -1.070 1.508 1.00 10.24 C ATOM 1690 OG1 THR A 109 -2.897 0.144 2.146 1.00 10.47 O ATOM 1691 CG2 THR A 109 -2.242 -1.522 0.523 1.00 10.84 C ATOM 0 H THR A 109 -5.446 -0.405 2.681 1.00 9.18 H new ATOM 0 HA THR A 109 -4.484 -0.182 -0.045 1.00 9.57 H new ATOM 0 HB THR A 109 -3.439 -1.853 2.255 1.00 10.24 H new ATOM 0 HG1 THR A 109 -2.039 0.001 2.598 1.00 10.47 H new ATOM 0 HG21 THR A 109 -1.300 -1.671 1.051 1.00 10.84 H new ATOM 0 HG22 THR A 109 -2.549 -2.458 0.057 1.00 10.84 H new ATOM 0 HG23 THR A 109 -2.110 -0.761 -0.246 1.00 10.84 H new ATOM 1699 N ASN A 110 -5.749 -2.176 -0.887 1.00 9.26 N ATOM 1700 CA ASN A 110 -6.348 -3.368 -1.460 1.00 9.45 C ATOM 1701 C ASN A 110 -5.306 -4.251 -2.127 1.00 9.54 C ATOM 1702 O ASN A 110 -4.858 -3.970 -3.239 1.00 9.73 O ATOM 1703 CB ASN A 110 -7.430 -2.989 -2.475 1.00 10.33 C ATOM 1704 CG ASN A 110 -8.765 -2.673 -1.827 1.00 10.50 C ATOM 1705 OD1 ASN A 110 -8.827 -2.215 -0.689 1.00 10.11 O ATOM 1706 ND2 ASN A 110 -9.849 -2.915 -2.551 1.00 11.26 N ATOM 0 H ASN A 110 -5.784 -1.356 -1.492 1.00 9.26 H new ATOM 0 HA ASN A 110 -6.800 -3.931 -0.643 1.00 9.45 H new ATOM 0 HB2 ASN A 110 -7.096 -2.124 -3.048 1.00 10.33 H new ATOM 0 HB3 ASN A 110 -7.560 -3.808 -3.182 1.00 10.33 H new ATOM 0 HD21 ASN A 110 -10.773 -2.720 -2.166 1.00 11.26 H new ATOM 0 HD22 ASN A 110 -9.759 -3.296 -3.493 1.00 11.26 H new ATOM 1713 N THR A 111 -4.915 -5.309 -1.436 1.00 9.61 N ATOM 1714 CA THR A 111 -3.946 -6.255 -1.957 1.00 9.91 C ATOM 1715 C THR A 111 -4.657 -7.523 -2.414 1.00 10.65 C ATOM 1716 O THR A 111 -5.344 -8.172 -1.624 1.00 11.22 O ATOM 1717 CB THR A 111 -2.898 -6.619 -0.890 1.00 9.68 C ATOM 1718 OG1 THR A 111 -2.557 -5.457 -0.118 1.00 9.38 O ATOM 1719 CG2 THR A 111 -1.649 -7.190 -1.541 1.00 9.85 C ATOM 0 H THR A 111 -5.259 -5.534 -0.503 1.00 9.61 H new ATOM 0 HA THR A 111 -3.438 -5.788 -2.800 1.00 9.91 H new ATOM 0 HB THR A 111 -3.325 -7.375 -0.231 1.00 9.68 H new ATOM 0 HG1 THR A 111 -1.661 -5.149 -0.369 1.00 9.38 H new ATOM 0 HG21 THR A 111 -0.920 -7.441 -0.771 1.00 9.85 H new ATOM 0 HG22 THR A 111 -1.909 -8.088 -2.101 1.00 9.85 H new ATOM 0 HG23 THR A 111 -1.221 -6.451 -2.218 1.00 9.85 H new ATOM 1727 N ASN A 112 -4.514 -7.869 -3.685 1.00 10.79 N ATOM 1728 CA ASN A 112 -5.159 -9.062 -4.217 1.00 11.60 C ATOM 1729 C ASN A 112 -4.424 -10.317 -3.774 1.00 12.13 C ATOM 1730 O ASN A 112 -3.215 -10.450 -3.980 1.00 12.20 O ATOM 1731 CB ASN A 112 -5.243 -9.011 -5.745 1.00 11.56 C ATOM 1732 CG ASN A 112 -5.477 -10.381 -6.366 1.00 12.27 C ATOM 1733 OD1 ASN A 112 -6.686 -10.903 -6.225 1.00 12.78 O flip ATOM 1734 ND2 ASN A 112 -4.573 -10.969 -6.958 1.00 12.44 N flip ATOM 0 H ASN A 112 -3.961 -7.345 -4.364 1.00 10.79 H new ATOM 0 HA ASN A 112 -6.173 -9.093 -3.820 1.00 11.60 H new ATOM 0 HB2 ASN A 112 -6.051 -8.341 -6.038 1.00 11.56 H new ATOM 0 HB3 ASN A 112 -4.319 -8.590 -6.142 1.00 11.56 H new ATOM 0 HD21 ASN A 112 -3.654 -10.535 -7.046 1.00 12.44 H new ATOM 0 HD22 ASN A 112 -4.742 -11.891 -7.360 1.00 12.44 H new ATOM 1741 N VAL A 113 -5.160 -11.226 -3.160 1.00 12.66 N ATOM 1742 CA VAL A 113 -4.592 -12.476 -2.689 1.00 13.37 C ATOM 1743 C VAL A 113 -4.874 -13.585 -3.693 1.00 13.66 C ATOM 1744 O VAL A 113 -3.972 -14.313 -4.104 1.00 13.93 O ATOM 1745 CB VAL A 113 -5.166 -12.874 -1.312 1.00 14.08 C ATOM 1746 CG1 VAL A 113 -4.538 -14.168 -0.812 1.00 14.64 C ATOM 1747 CG2 VAL A 113 -4.962 -11.756 -0.300 1.00 14.08 C ATOM 0 H VAL A 113 -6.158 -11.121 -2.975 1.00 12.66 H new ATOM 0 HA VAL A 113 -3.516 -12.334 -2.584 1.00 13.37 H new ATOM 0 HB VAL A 113 -6.237 -13.040 -1.430 1.00 14.08 H new ATOM 0 HG11 VAL A 113 -4.960 -14.426 0.159 1.00 14.64 H new ATOM 0 HG12 VAL A 113 -4.744 -14.970 -1.521 1.00 14.64 H new ATOM 0 HG13 VAL A 113 -3.460 -14.036 -0.716 1.00 14.64 H new ATOM 0 HG21 VAL A 113 -5.374 -12.057 0.663 1.00 14.08 H new ATOM 0 HG22 VAL A 113 -3.897 -11.553 -0.192 1.00 14.08 H new ATOM 0 HG23 VAL A 113 -5.469 -10.855 -0.646 1.00 14.08 H new ATOM 1757 N LYS A 114 -6.131 -13.696 -4.102 1.00 13.72 N ATOM 1758 CA LYS A 114 -6.538 -14.720 -5.055 1.00 14.09 C ATOM 1759 C LYS A 114 -7.428 -14.117 -6.134 1.00 14.38 C ATOM 1760 O LYS A 114 -6.884 -13.576 -7.123 1.00 14.73 O ATOM 1761 CB LYS A 114 -7.274 -15.861 -4.342 1.00 14.21 C ATOM 1762 CG LYS A 114 -6.438 -16.571 -3.289 1.00 14.60 C ATOM 1763 CD LYS A 114 -7.161 -17.781 -2.723 1.00 14.94 C ATOM 1764 CE LYS A 114 -7.413 -18.823 -3.798 1.00 15.49 C ATOM 1765 NZ LYS A 114 -8.084 -20.030 -3.254 1.00 16.02 N ATOM 0 H LYS A 114 -6.888 -13.088 -3.788 1.00 13.72 H new ATOM 0 HA LYS A 114 -5.641 -15.125 -5.524 1.00 14.09 H new ATOM 0 HB2 LYS A 114 -8.172 -15.462 -3.870 1.00 14.21 H new ATOM 0 HB3 LYS A 114 -7.600 -16.589 -5.084 1.00 14.21 H new ATOM 0 HG2 LYS A 114 -5.490 -16.885 -3.727 1.00 14.60 H new ATOM 0 HG3 LYS A 114 -6.202 -15.877 -2.482 1.00 14.60 H new ATOM 0 HD2 LYS A 114 -6.568 -18.219 -1.920 1.00 14.94 H new ATOM 0 HD3 LYS A 114 -8.109 -17.469 -2.286 1.00 14.94 H new ATOM 0 HE2 LYS A 114 -8.029 -18.390 -4.586 1.00 15.49 H new ATOM 0 HE3 LYS A 114 -6.466 -19.109 -4.255 1.00 15.49 H new ATOM 0 HZ1 LYS A 114 -8.238 -20.717 -4.020 1.00 16.02 H new ATOM 0 HZ2 LYS A 114 -7.485 -20.459 -2.520 1.00 16.02 H new ATOM 0 HZ3 LYS A 114 -9.000 -19.762 -2.841 1.00 16.02 H new TER 1779 LYS A 114 ATOM 1780 N CYS B 7 -1.258 -15.831 8.215 1.00 7.31 N ATOM 1781 CA CYS B 7 0.157 -15.614 7.853 1.00 7.09 C ATOM 1782 C CYS B 7 0.268 -14.531 6.787 1.00 6.74 C ATOM 1783 O CYS B 7 -0.585 -14.425 5.900 1.00 6.90 O ATOM 1784 CB CYS B 7 0.779 -16.917 7.347 1.00 7.27 C ATOM 1785 SG CYS B 7 0.804 -18.249 8.574 1.00 7.49 S ATOM 0 HA CYS B 7 0.699 -15.288 8.741 1.00 7.09 H new ATOM 0 HB2 CYS B 7 0.226 -17.255 6.471 1.00 7.27 H new ATOM 0 HB3 CYS B 7 1.800 -16.718 7.022 1.00 7.27 H new ATOM 0 HG CYS B 7 1.346 -19.309 8.052 1.00 7.49 H new ATOM 1791 N GLN B 8 1.319 -13.734 6.877 1.00 6.40 N ATOM 1792 CA GLN B 8 1.536 -12.651 5.933 1.00 6.15 C ATOM 1793 C GLN B 8 2.460 -13.089 4.802 1.00 5.98 C ATOM 1794 O GLN B 8 3.400 -13.860 5.022 1.00 5.98 O ATOM 1795 CB GLN B 8 2.128 -11.436 6.653 1.00 6.04 C ATOM 1796 CG GLN B 8 1.204 -10.827 7.697 1.00 6.41 C ATOM 1797 CD GLN B 8 -0.172 -10.502 7.149 1.00 6.68 C ATOM 1798 OE1 GLN B 8 -0.338 -10.248 5.958 1.00 6.77 O ATOM 1799 NE2 GLN B 8 -1.166 -10.500 8.016 1.00 7.12 N ATOM 0 H GLN B 8 2.037 -13.817 7.596 1.00 6.40 H new ATOM 0 HA GLN B 8 0.573 -12.378 5.501 1.00 6.15 H new ATOM 0 HB2 GLN B 8 3.060 -11.730 7.135 1.00 6.04 H new ATOM 0 HB3 GLN B 8 2.377 -10.674 5.914 1.00 6.04 H new ATOM 0 HG2 GLN B 8 1.103 -11.519 8.533 1.00 6.41 H new ATOM 0 HG3 GLN B 8 1.657 -9.917 8.090 1.00 6.41 H new ATOM 0 HE21 GLN B 8 -0.988 -10.716 8.997 1.00 7.12 H new ATOM 0 HE22 GLN B 8 -2.113 -10.282 7.706 1.00 7.12 H new ATOM 1808 N PRO B 9 2.183 -12.627 3.573 1.00 5.94 N ATOM 1809 CA PRO B 9 2.995 -12.945 2.398 1.00 5.86 C ATOM 1810 C PRO B 9 4.333 -12.208 2.418 1.00 5.25 C ATOM 1811 O PRO B 9 4.562 -11.334 3.258 1.00 4.75 O ATOM 1812 CB PRO B 9 2.137 -12.464 1.213 1.00 6.04 C ATOM 1813 CG PRO B 9 0.797 -12.145 1.787 1.00 6.18 C ATOM 1814 CD PRO B 9 1.043 -11.775 3.219 1.00 6.07 C ATOM 0 HA PRO B 9 3.242 -14.005 2.349 1.00 5.86 H new ATOM 0 HB2 PRO B 9 2.579 -11.587 0.740 1.00 6.04 H new ATOM 0 HB3 PRO B 9 2.061 -13.235 0.446 1.00 6.04 H new ATOM 0 HG2 PRO B 9 0.326 -11.324 1.247 1.00 6.18 H new ATOM 0 HG3 PRO B 9 0.127 -13.001 1.714 1.00 6.18 H new ATOM 0 HD2 PRO B 9 1.277 -10.716 3.331 1.00 6.07 H new ATOM 0 HD3 PRO B 9 0.175 -11.977 3.846 1.00 6.07 H new ATOM 1822 N THR B 10 5.206 -12.554 1.484 1.00 5.38 N ATOM 1823 CA THR B 10 6.519 -11.938 1.397 1.00 4.87 C ATOM 1824 C THR B 10 6.477 -10.673 0.541 1.00 4.51 C ATOM 1825 O THR B 10 7.193 -10.550 -0.459 1.00 4.85 O ATOM 1826 CB THR B 10 7.542 -12.928 0.817 1.00 5.16 C ATOM 1827 OG1 THR B 10 6.930 -14.215 0.655 1.00 5.81 O ATOM 1828 CG2 THR B 10 8.750 -13.047 1.733 1.00 5.01 C ATOM 0 H THR B 10 5.026 -13.262 0.772 1.00 5.38 H new ATOM 0 HA THR B 10 6.825 -11.662 2.406 1.00 4.87 H new ATOM 0 HB THR B 10 7.875 -12.557 -0.152 1.00 5.16 H new ATOM 0 HG1 THR B 10 6.420 -14.232 -0.182 1.00 5.81 H new ATOM 0 HG21 THR B 10 9.463 -13.752 1.305 1.00 5.01 H new ATOM 0 HG22 THR B 10 9.224 -12.071 1.839 1.00 5.01 H new ATOM 0 HG23 THR B 10 8.430 -13.403 2.712 1.00 5.01 H new ATOM 1836 N GLU B 11 5.614 -9.750 0.935 1.00 4.02 N ATOM 1837 CA GLU B 11 5.443 -8.482 0.245 1.00 3.81 C ATOM 1838 C GLU B 11 4.719 -7.521 1.178 1.00 3.79 C ATOM 1839 O GLU B 11 3.841 -7.941 1.924 1.00 4.04 O ATOM 1840 CB GLU B 11 4.673 -8.687 -1.076 1.00 4.37 C ATOM 1841 CG GLU B 11 3.319 -7.993 -1.148 1.00 4.33 C ATOM 1842 CD GLU B 11 2.158 -8.965 -1.123 1.00 5.46 C ATOM 1843 OE1 GLU B 11 1.876 -9.588 -2.170 1.00 5.61 O ATOM 1844 OE2 GLU B 11 1.514 -9.096 -0.064 1.00 5.85 O ATOM 0 H GLU B 11 5.008 -9.861 1.748 1.00 4.02 H new ATOM 0 HA GLU B 11 6.413 -8.059 -0.017 1.00 3.81 H new ATOM 0 HB2 GLU B 11 5.292 -8.329 -1.899 1.00 4.37 H new ATOM 0 HB3 GLU B 11 4.525 -9.756 -1.230 1.00 4.37 H new ATOM 0 HG2 GLU B 11 3.226 -7.301 -0.311 1.00 4.33 H new ATOM 0 HG3 GLU B 11 3.269 -7.398 -2.060 1.00 4.33 H new ATOM 1851 N PHE B 12 5.096 -6.250 1.168 1.00 3.64 N ATOM 1852 CA PHE B 12 4.454 -5.281 2.050 1.00 3.90 C ATOM 1853 C PHE B 12 4.494 -3.868 1.482 1.00 3.61 C ATOM 1854 O PHE B 12 5.241 -3.574 0.544 1.00 3.37 O ATOM 1855 CB PHE B 12 5.109 -5.297 3.440 1.00 3.97 C ATOM 1856 CG PHE B 12 6.530 -4.804 3.469 1.00 5.41 C ATOM 1857 CD1 PHE B 12 7.575 -5.644 3.120 1.00 5.81 C ATOM 1858 CD2 PHE B 12 6.820 -3.506 3.858 1.00 5.41 C ATOM 1859 CE1 PHE B 12 8.883 -5.199 3.156 1.00 6.08 C ATOM 1860 CE2 PHE B 12 8.125 -3.057 3.898 1.00 5.75 C ATOM 1861 CZ PHE B 12 9.157 -3.903 3.545 1.00 4.19 C ATOM 0 H PHE B 12 5.830 -5.869 0.571 1.00 3.64 H new ATOM 0 HA PHE B 12 3.409 -5.577 2.135 1.00 3.90 H new ATOM 0 HB2 PHE B 12 4.512 -4.684 4.115 1.00 3.97 H new ATOM 0 HB3 PHE B 12 5.084 -6.316 3.827 1.00 3.97 H new ATOM 0 HD1 PHE B 12 7.365 -6.659 2.816 1.00 5.81 H new ATOM 0 HD2 PHE B 12 6.017 -2.839 4.133 1.00 5.41 H new ATOM 0 HE1 PHE B 12 9.689 -5.863 2.881 1.00 6.08 H new ATOM 0 HE2 PHE B 12 8.338 -2.044 4.205 1.00 5.75 H new ATOM 0 HZ PHE B 12 10.178 -3.551 3.573 1.00 4.19 H new ATOM 1871 N ILE B 13 3.682 -3.004 2.078 1.00 4.06 N ATOM 1872 CA ILE B 13 3.595 -1.610 1.678 1.00 4.31 C ATOM 1873 C ILE B 13 4.586 -0.770 2.470 1.00 4.64 C ATOM 1874 O ILE B 13 4.512 -0.690 3.700 1.00 5.17 O ATOM 1875 CB ILE B 13 2.160 -1.063 1.881 1.00 4.65 C ATOM 1876 CG1 ILE B 13 1.262 -1.516 0.733 1.00 5.25 C ATOM 1877 CG2 ILE B 13 2.146 0.459 1.996 1.00 4.81 C ATOM 1878 CD1 ILE B 13 1.664 -0.946 -0.610 1.00 5.57 C ATOM 0 H ILE B 13 3.066 -3.252 2.852 1.00 4.06 H new ATOM 0 HA ILE B 13 3.841 -1.548 0.618 1.00 4.31 H new ATOM 0 HB ILE B 13 1.778 -1.466 2.819 1.00 4.65 H new ATOM 0 HG12 ILE B 13 1.279 -2.604 0.677 1.00 5.25 H new ATOM 0 HG13 ILE B 13 0.234 -1.224 0.949 1.00 5.25 H new ATOM 0 HG21 ILE B 13 1.122 0.804 2.137 1.00 4.81 H new ATOM 0 HG22 ILE B 13 2.753 0.765 2.848 1.00 4.81 H new ATOM 0 HG23 ILE B 13 2.553 0.897 1.085 1.00 4.81 H new ATOM 0 HD11 ILE B 13 0.982 -1.310 -1.379 1.00 5.57 H new ATOM 0 HD12 ILE B 13 1.619 0.142 -0.571 1.00 5.57 H new ATOM 0 HD13 ILE B 13 2.680 -1.259 -0.849 1.00 5.57 H new ATOM 1890 N SER B 14 5.516 -0.162 1.762 1.00 4.50 N ATOM 1891 CA SER B 14 6.519 0.676 2.387 1.00 4.98 C ATOM 1892 C SER B 14 6.225 2.148 2.112 1.00 5.30 C ATOM 1893 O SER B 14 6.604 2.684 1.068 1.00 4.82 O ATOM 1894 CB SER B 14 7.911 0.307 1.865 1.00 4.87 C ATOM 1895 OG SER B 14 7.957 -1.044 1.436 1.00 4.53 O ATOM 0 H SER B 14 5.598 -0.233 0.748 1.00 4.50 H new ATOM 0 HA SER B 14 6.492 0.512 3.464 1.00 4.98 H new ATOM 0 HB2 SER B 14 8.177 0.963 1.037 1.00 4.87 H new ATOM 0 HB3 SER B 14 8.651 0.468 2.649 1.00 4.87 H new ATOM 0 HG SER B 14 7.497 -1.130 0.575 1.00 4.53 H new ATOM 1901 N ARG B 15 5.530 2.797 3.036 1.00 6.21 N ATOM 1902 CA ARG B 15 5.199 4.207 2.885 1.00 6.71 C ATOM 1903 C ARG B 15 6.332 5.051 3.445 1.00 7.20 C ATOM 1904 O ARG B 15 6.468 5.197 4.659 1.00 7.59 O ATOM 1905 CB ARG B 15 3.880 4.541 3.591 1.00 7.25 C ATOM 1906 CG ARG B 15 2.676 3.834 2.990 1.00 7.11 C ATOM 1907 CD ARG B 15 1.411 4.079 3.798 1.00 7.81 C ATOM 1908 NE ARG B 15 0.889 5.436 3.628 1.00 7.98 N ATOM 1909 CZ ARG B 15 0.454 6.196 4.635 1.00 8.52 C ATOM 1910 NH1 ARG B 15 0.482 5.734 5.879 1.00 8.97 N ATOM 1911 NH2 ARG B 15 -0.017 7.412 4.401 1.00 8.77 N ATOM 0 H ARG B 15 5.185 2.371 3.896 1.00 6.21 H new ATOM 0 HA ARG B 15 5.071 4.429 1.825 1.00 6.71 H new ATOM 0 HB2 ARG B 15 3.962 4.271 4.644 1.00 7.25 H new ATOM 0 HB3 ARG B 15 3.717 5.618 3.550 1.00 7.25 H new ATOM 0 HG2 ARG B 15 2.526 4.179 1.967 1.00 7.11 H new ATOM 0 HG3 ARG B 15 2.872 2.763 2.939 1.00 7.11 H new ATOM 0 HD2 ARG B 15 0.648 3.360 3.499 1.00 7.81 H new ATOM 0 HD3 ARG B 15 1.619 3.903 4.853 1.00 7.81 H new ATOM 0 HE ARG B 15 0.856 5.823 2.685 1.00 7.98 H new ATOM 0 HH11 ARG B 15 0.837 4.796 6.067 1.00 8.97 H new ATOM 0 HH12 ARG B 15 0.149 6.317 6.647 1.00 8.97 H new ATOM 0 HH21 ARG B 15 -0.049 7.772 3.447 1.00 8.77 H new ATOM 0 HH22 ARG B 15 -0.348 7.988 5.175 1.00 8.77 H new ATOM 1925 N HIS B 16 7.154 5.586 2.557 1.00 7.22 N ATOM 1926 CA HIS B 16 8.290 6.398 2.962 1.00 7.74 C ATOM 1927 C HIS B 16 8.341 7.684 2.155 1.00 8.16 C ATOM 1928 O HIS B 16 7.741 7.774 1.086 1.00 8.31 O ATOM 1929 CB HIS B 16 9.601 5.621 2.781 1.00 7.44 C ATOM 1930 CG HIS B 16 9.912 5.266 1.355 1.00 7.53 C ATOM 1931 ND1 HIS B 16 10.474 6.152 0.461 1.00 7.88 N ATOM 1932 CD2 HIS B 16 9.727 4.113 0.671 1.00 7.45 C ATOM 1933 CE1 HIS B 16 10.618 5.560 -0.708 1.00 7.94 C ATOM 1934 NE2 HIS B 16 10.173 4.322 -0.610 1.00 7.70 N ATOM 0 H HIS B 16 7.055 5.472 1.548 1.00 7.22 H new ATOM 0 HA HIS B 16 8.169 6.646 4.016 1.00 7.74 H new ATOM 0 HB2 HIS B 16 10.421 6.215 3.183 1.00 7.44 H new ATOM 0 HB3 HIS B 16 9.552 4.705 3.370 1.00 7.44 H new ATOM 0 HD1 HIS B 16 10.737 7.115 0.671 1.00 7.88 H new ATOM 0 HD2 HIS B 16 9.306 3.198 1.061 1.00 7.45 H new ATOM 0 HE1 HIS B 16 11.031 6.013 -1.597 1.00 7.94 H new ATOM 1943 N ASN B 17 9.078 8.662 2.650 1.00 8.44 N ATOM 1944 CA ASN B 17 9.205 9.933 1.957 1.00 8.93 C ATOM 1945 C ASN B 17 10.283 9.842 0.875 1.00 8.16 C ATOM 1946 O ASN B 17 10.933 8.802 0.725 1.00 7.25 O ATOM 1947 CB ASN B 17 9.493 11.068 2.952 1.00 9.72 C ATOM 1948 CG ASN B 17 10.958 11.209 3.329 1.00 10.00 C ATOM 1949 OD1 ASN B 17 11.700 10.231 3.399 1.00 9.52 O ATOM 1950 ND2 ASN B 17 11.384 12.442 3.558 1.00 10.83 N ATOM 0 H ASN B 17 9.596 8.602 3.526 1.00 8.44 H new ATOM 0 HA ASN B 17 8.259 10.163 1.466 1.00 8.93 H new ATOM 0 HB2 ASN B 17 9.148 12.009 2.523 1.00 9.72 H new ATOM 0 HB3 ASN B 17 8.911 10.898 3.858 1.00 9.72 H new ATOM 0 HD21 ASN B 17 12.360 12.607 3.803 1.00 10.83 H new ATOM 0 HD22 ASN B 17 10.736 13.227 3.489 1.00 10.83 H new ATOM 1957 N ILE B 18 10.475 10.927 0.131 1.00 8.56 N ATOM 1958 CA ILE B 18 11.458 10.972 -0.958 1.00 7.97 C ATOM 1959 C ILE B 18 12.896 10.732 -0.485 1.00 8.14 C ATOM 1960 O ILE B 18 13.758 10.365 -1.280 1.00 8.11 O ATOM 1961 CB ILE B 18 11.399 12.313 -1.718 1.00 8.20 C ATOM 1962 CG1 ILE B 18 11.529 13.492 -0.746 1.00 8.36 C ATOM 1963 CG2 ILE B 18 10.104 12.411 -2.516 1.00 8.89 C ATOM 1964 CD1 ILE B 18 11.577 14.841 -1.428 1.00 8.53 C ATOM 0 H ILE B 18 9.959 11.797 0.261 1.00 8.56 H new ATOM 0 HA ILE B 18 11.182 10.156 -1.626 1.00 7.97 H new ATOM 0 HB ILE B 18 12.237 12.355 -2.414 1.00 8.20 H new ATOM 0 HG12 ILE B 18 10.687 13.475 -0.054 1.00 8.36 H new ATOM 0 HG13 ILE B 18 12.434 13.363 -0.152 1.00 8.36 H new ATOM 0 HG21 ILE B 18 10.075 13.362 -3.048 1.00 8.89 H new ATOM 0 HG22 ILE B 18 10.056 11.592 -3.234 1.00 8.89 H new ATOM 0 HG23 ILE B 18 9.253 12.349 -1.838 1.00 8.89 H new ATOM 0 HD11 ILE B 18 11.669 15.625 -0.677 1.00 8.53 H new ATOM 0 HD12 ILE B 18 12.435 14.879 -2.100 1.00 8.53 H new ATOM 0 HD13 ILE B 18 10.662 14.992 -2.000 1.00 8.53 H new ATOM 1976 N GLU B 19 13.159 10.938 0.798 1.00 8.43 N ATOM 1977 CA GLU B 19 14.501 10.731 1.338 1.00 8.81 C ATOM 1978 C GLU B 19 14.722 9.261 1.677 1.00 8.59 C ATOM 1979 O GLU B 19 15.850 8.819 1.891 1.00 8.52 O ATOM 1980 CB GLU B 19 14.712 11.594 2.583 1.00 9.86 C ATOM 1981 CG GLU B 19 14.497 13.078 2.335 1.00 10.25 C ATOM 1982 CD GLU B 19 14.518 13.888 3.612 1.00 11.31 C ATOM 1983 OE1 GLU B 19 13.718 13.589 4.525 1.00 11.92 O ATOM 1984 OE2 GLU B 19 15.325 14.834 3.710 1.00 11.62 O ATOM 0 H GLU B 19 12.468 11.246 1.482 1.00 8.43 H new ATOM 0 HA GLU B 19 15.225 11.025 0.578 1.00 8.81 H new ATOM 0 HB2 GLU B 19 14.030 11.262 3.366 1.00 9.86 H new ATOM 0 HB3 GLU B 19 15.724 11.439 2.956 1.00 9.86 H new ATOM 0 HG2 GLU B 19 15.271 13.446 1.662 1.00 10.25 H new ATOM 0 HG3 GLU B 19 13.541 13.224 1.832 1.00 10.25 H new ATOM 1991 N GLY B 20 13.640 8.504 1.722 1.00 8.56 N ATOM 1992 CA GLY B 20 13.742 7.097 2.037 1.00 8.44 C ATOM 1993 C GLY B 20 13.297 6.802 3.452 1.00 8.57 C ATOM 1994 O GLY B 20 13.208 5.641 3.847 1.00 8.52 O ATOM 0 H GLY B 20 12.692 8.838 1.546 1.00 8.56 H new ATOM 0 HA2 GLY B 20 13.133 6.523 1.338 1.00 8.44 H new ATOM 0 HA3 GLY B 20 14.773 6.769 1.905 1.00 8.44 H new ATOM 1998 N ILE B 21 13.019 7.859 4.205 1.00 8.85 N ATOM 1999 CA ILE B 21 12.574 7.738 5.586 1.00 9.05 C ATOM 2000 C ILE B 21 11.161 7.167 5.631 1.00 8.72 C ATOM 2001 O ILE B 21 10.222 7.777 5.114 1.00 8.95 O ATOM 2002 CB ILE B 21 12.597 9.108 6.297 1.00 9.94 C ATOM 2003 CG1 ILE B 21 14.013 9.696 6.274 1.00 9.95 C ATOM 2004 CG2 ILE B 21 12.087 8.987 7.727 1.00 10.87 C ATOM 2005 CD1 ILE B 21 15.000 8.958 7.157 1.00 10.51 C ATOM 0 H ILE B 21 13.096 8.821 3.876 1.00 8.85 H new ATOM 0 HA ILE B 21 13.258 7.065 6.103 1.00 9.05 H new ATOM 0 HB ILE B 21 11.932 9.784 5.760 1.00 9.94 H new ATOM 0 HG12 ILE B 21 14.382 9.689 5.248 1.00 9.95 H new ATOM 0 HG13 ILE B 21 13.968 10.739 6.589 1.00 9.95 H new ATOM 0 HG21 ILE B 21 12.113 9.965 8.207 1.00 10.87 H new ATOM 0 HG22 ILE B 21 11.063 8.615 7.718 1.00 10.87 H new ATOM 0 HG23 ILE B 21 12.720 8.294 8.282 1.00 10.87 H new ATOM 0 HD11 ILE B 21 15.978 9.434 7.086 1.00 10.51 H new ATOM 0 HD12 ILE B 21 14.656 8.987 8.191 1.00 10.51 H new ATOM 0 HD13 ILE B 21 15.077 7.921 6.829 1.00 10.51 H new ATOM 2017 N PHE B 22 11.016 5.997 6.231 1.00 8.23 N ATOM 2018 CA PHE B 22 9.718 5.342 6.325 1.00 7.87 C ATOM 2019 C PHE B 22 8.810 6.027 7.338 1.00 7.79 C ATOM 2020 O PHE B 22 9.225 6.345 8.457 1.00 8.12 O ATOM 2021 CB PHE B 22 9.888 3.870 6.699 1.00 7.86 C ATOM 2022 CG PHE B 22 10.579 3.053 5.646 1.00 7.34 C ATOM 2023 CD1 PHE B 22 9.851 2.450 4.635 1.00 7.10 C ATOM 2024 CD2 PHE B 22 11.954 2.881 5.671 1.00 7.19 C ATOM 2025 CE1 PHE B 22 10.481 1.690 3.668 1.00 6.75 C ATOM 2026 CE2 PHE B 22 12.588 2.121 4.708 1.00 6.90 C ATOM 2027 CZ PHE B 22 11.851 1.527 3.706 1.00 6.69 C ATOM 0 H PHE B 22 11.782 5.479 6.662 1.00 8.23 H new ATOM 0 HA PHE B 22 9.247 5.416 5.345 1.00 7.87 H new ATOM 0 HB2 PHE B 22 10.455 3.804 7.627 1.00 7.86 H new ATOM 0 HB3 PHE B 22 8.906 3.439 6.894 1.00 7.86 H new ATOM 0 HD1 PHE B 22 8.779 2.575 4.602 1.00 7.10 H new ATOM 0 HD2 PHE B 22 12.536 3.347 6.452 1.00 7.19 H new ATOM 0 HE1 PHE B 22 9.902 1.224 2.884 1.00 6.75 H new ATOM 0 HE2 PHE B 22 13.660 1.992 4.740 1.00 6.90 H new ATOM 0 HZ PHE B 22 12.346 0.934 2.951 1.00 6.69 H new ATOM 2037 N THR B 23 7.573 6.262 6.927 1.00 7.44 N ATOM 2038 CA THR B 23 6.578 6.885 7.782 1.00 7.38 C ATOM 2039 C THR B 23 5.599 5.835 8.294 1.00 7.22 C ATOM 2040 O THR B 23 5.126 5.905 9.430 1.00 7.91 O ATOM 2041 CB THR B 23 5.794 7.974 7.028 1.00 7.22 C ATOM 2042 OG1 THR B 23 6.506 8.360 5.844 1.00 7.16 O ATOM 2043 CG2 THR B 23 5.577 9.191 7.911 1.00 7.36 C ATOM 0 H THR B 23 7.233 6.027 5.995 1.00 7.44 H new ATOM 0 HA THR B 23 7.103 7.347 8.618 1.00 7.38 H new ATOM 0 HB THR B 23 4.822 7.566 6.751 1.00 7.22 H new ATOM 0 HG1 THR B 23 6.000 9.052 5.369 1.00 7.16 H new ATOM 0 HG21 THR B 23 5.021 9.948 7.357 1.00 7.36 H new ATOM 0 HG22 THR B 23 5.012 8.902 8.797 1.00 7.36 H new ATOM 0 HG23 THR B 23 6.542 9.598 8.213 1.00 7.36 H new ATOM 2051 N PHE B 24 5.307 4.856 7.447 1.00 6.39 N ATOM 2052 CA PHE B 24 4.390 3.783 7.798 1.00 6.27 C ATOM 2053 C PHE B 24 4.798 2.492 7.101 1.00 5.44 C ATOM 2054 O PHE B 24 5.022 2.472 5.888 1.00 4.71 O ATOM 2055 CB PHE B 24 2.955 4.159 7.410 1.00 6.55 C ATOM 2056 CG PHE B 24 1.937 3.093 7.725 1.00 6.80 C ATOM 2057 CD1 PHE B 24 1.371 3.009 8.987 1.00 7.52 C ATOM 2058 CD2 PHE B 24 1.546 2.179 6.758 1.00 6.51 C ATOM 2059 CE1 PHE B 24 0.439 2.032 9.278 1.00 7.89 C ATOM 2060 CE2 PHE B 24 0.615 1.201 7.044 1.00 6.98 C ATOM 2061 CZ PHE B 24 0.060 1.128 8.305 1.00 7.64 C ATOM 0 H PHE B 24 5.696 4.785 6.507 1.00 6.39 H new ATOM 0 HA PHE B 24 4.432 3.630 8.876 1.00 6.27 H new ATOM 0 HB2 PHE B 24 2.678 5.077 7.929 1.00 6.55 H new ATOM 0 HB3 PHE B 24 2.923 4.374 6.342 1.00 6.55 H new ATOM 0 HD1 PHE B 24 1.662 3.715 9.751 1.00 7.52 H new ATOM 0 HD2 PHE B 24 1.975 2.233 5.769 1.00 6.51 H new ATOM 0 HE1 PHE B 24 0.007 1.975 10.266 1.00 7.89 H new ATOM 0 HE2 PHE B 24 0.321 0.494 6.282 1.00 6.98 H new ATOM 0 HZ PHE B 24 -0.670 0.365 8.531 1.00 7.64 H new ATOM 2071 N VAL B 25 4.900 1.424 7.871 1.00 5.71 N ATOM 2072 CA VAL B 25 5.274 0.124 7.339 1.00 5.22 C ATOM 2073 C VAL B 25 4.203 -0.900 7.699 1.00 5.47 C ATOM 2074 O VAL B 25 3.833 -1.029 8.868 1.00 5.85 O ATOM 2075 CB VAL B 25 6.636 -0.348 7.893 1.00 5.58 C ATOM 2076 CG1 VAL B 25 7.137 -1.557 7.122 1.00 5.20 C ATOM 2077 CG2 VAL B 25 7.664 0.776 7.848 1.00 6.10 C ATOM 0 H VAL B 25 4.727 1.431 8.876 1.00 5.71 H new ATOM 0 HA VAL B 25 5.362 0.217 6.257 1.00 5.22 H new ATOM 0 HB VAL B 25 6.494 -0.636 8.935 1.00 5.58 H new ATOM 0 HG11 VAL B 25 8.098 -1.874 7.527 1.00 5.20 H new ATOM 0 HG12 VAL B 25 6.418 -2.371 7.214 1.00 5.20 H new ATOM 0 HG13 VAL B 25 7.256 -1.295 6.071 1.00 5.20 H new ATOM 0 HG21 VAL B 25 8.614 0.416 8.244 1.00 6.10 H new ATOM 0 HG22 VAL B 25 7.801 1.103 6.817 1.00 6.10 H new ATOM 0 HG23 VAL B 25 7.314 1.614 8.451 1.00 6.10 H new ATOM 2087 N ASP B 26 3.687 -1.606 6.699 1.00 5.31 N ATOM 2088 CA ASP B 26 2.652 -2.610 6.939 1.00 5.56 C ATOM 2089 C ASP B 26 3.216 -3.792 7.726 1.00 6.58 C ATOM 2090 O ASP B 26 4.411 -4.074 7.674 1.00 7.15 O ATOM 2091 CB ASP B 26 2.039 -3.090 5.619 1.00 4.87 C ATOM 2092 CG ASP B 26 0.801 -3.950 5.829 1.00 4.97 C ATOM 2093 OD1 ASP B 26 0.189 -3.875 6.916 1.00 5.05 O ATOM 2094 OD2 ASP B 26 0.446 -4.715 4.914 1.00 5.22 O ATOM 0 H ASP B 26 3.964 -1.505 5.723 1.00 5.31 H new ATOM 0 HA ASP B 26 1.865 -2.145 7.532 1.00 5.56 H new ATOM 0 HB2 ASP B 26 1.778 -2.226 5.008 1.00 4.87 H new ATOM 0 HB3 ASP B 26 2.783 -3.660 5.063 1.00 4.87 H new ATOM 2099 N HIS B 27 2.331 -4.502 8.419 1.00 6.95 N ATOM 2100 CA HIS B 27 2.709 -5.641 9.260 1.00 8.01 C ATOM 2101 C HIS B 27 3.335 -6.775 8.449 1.00 8.33 C ATOM 2102 O HIS B 27 4.026 -7.630 8.999 1.00 8.59 O ATOM 2103 CB HIS B 27 1.485 -6.169 10.015 1.00 8.34 C ATOM 2104 CG HIS B 27 0.850 -5.156 10.916 1.00 8.39 C ATOM 2105 ND1 HIS B 27 -0.512 -5.072 11.116 1.00 8.80 N ATOM 2106 CD2 HIS B 27 1.400 -4.175 11.669 1.00 8.34 C ATOM 2107 CE1 HIS B 27 -0.771 -4.084 11.954 1.00 8.97 C ATOM 2108 NE2 HIS B 27 0.371 -3.526 12.301 1.00 8.70 N ATOM 0 H HIS B 27 1.330 -4.307 8.416 1.00 6.95 H new ATOM 0 HA HIS B 27 3.457 -5.283 9.967 1.00 8.01 H new ATOM 0 HB2 HIS B 27 0.745 -6.514 9.293 1.00 8.34 H new ATOM 0 HB3 HIS B 27 1.780 -7.035 10.608 1.00 8.34 H new ATOM 0 HD2 HIS B 27 2.452 -3.946 11.756 1.00 8.34 H new ATOM 0 HE1 HIS B 27 -1.751 -3.785 12.296 1.00 8.97 H new ATOM 0 HE2 HIS B 27 0.473 -2.736 12.939 1.00 8.70 H new ATOM 2117 N ARG B 28 3.101 -6.773 7.143 1.00 8.41 N ATOM 2118 CA ARG B 28 3.642 -7.807 6.266 1.00 8.82 C ATOM 2119 C ARG B 28 5.171 -7.765 6.212 1.00 9.34 C ATOM 2120 O ARG B 28 5.808 -8.736 5.798 1.00 9.76 O ATOM 2121 CB ARG B 28 3.073 -7.659 4.856 1.00 8.65 C ATOM 2122 CG ARG B 28 1.716 -8.316 4.667 1.00 9.09 C ATOM 2123 CD ARG B 28 1.141 -8.026 3.291 1.00 9.23 C ATOM 2124 NE ARG B 28 0.785 -6.618 3.140 1.00 9.07 N ATOM 2125 CZ ARG B 28 0.619 -6.002 1.973 1.00 9.17 C ATOM 2126 NH1 ARG B 28 0.837 -6.634 0.828 1.00 9.42 N ATOM 2127 NH2 ARG B 28 0.247 -4.732 1.951 1.00 9.14 N ATOM 0 H ARG B 28 2.540 -6.067 6.666 1.00 8.41 H new ATOM 0 HA ARG B 28 3.346 -8.771 6.680 1.00 8.82 H new ATOM 0 HB2 ARG B 28 2.988 -6.599 4.619 1.00 8.65 H new ATOM 0 HB3 ARG B 28 3.777 -8.090 4.144 1.00 8.65 H new ATOM 0 HG2 ARG B 28 1.811 -9.393 4.803 1.00 9.09 H new ATOM 0 HG3 ARG B 28 1.028 -7.958 5.432 1.00 9.09 H new ATOM 0 HD2 ARG B 28 1.868 -8.301 2.527 1.00 9.23 H new ATOM 0 HD3 ARG B 28 0.258 -8.644 3.128 1.00 9.23 H new ATOM 0 HE ARG B 28 0.654 -6.068 3.989 1.00 9.07 H new ATOM 0 HH11 ARG B 28 1.137 -7.609 0.833 1.00 9.42 H new ATOM 0 HH12 ARG B 28 0.704 -6.145 -0.057 1.00 9.42 H new ATOM 0 HH21 ARG B 28 0.089 -4.232 2.826 1.00 9.14 H new ATOM 0 HH22 ARG B 28 0.118 -4.254 1.059 1.00 9.14 H new ATOM 2141 N CYS B 29 5.759 -6.653 6.646 1.00 9.40 N ATOM 2142 CA CYS B 29 7.211 -6.495 6.636 1.00 9.95 C ATOM 2143 C CYS B 29 7.885 -7.552 7.508 1.00 10.96 C ATOM 2144 O CYS B 29 8.988 -8.017 7.202 1.00 11.56 O ATOM 2145 CB CYS B 29 7.596 -5.098 7.125 1.00 9.64 C ATOM 2146 SG CYS B 29 7.193 -4.785 8.859 1.00 9.41 S ATOM 0 H CYS B 29 5.251 -5.847 7.010 1.00 9.40 H new ATOM 0 HA CYS B 29 7.555 -6.624 5.610 1.00 9.95 H new ATOM 0 HB2 CYS B 29 8.667 -4.957 6.981 1.00 9.64 H new ATOM 0 HB3 CYS B 29 7.091 -4.356 6.506 1.00 9.64 H new ATOM 0 HG CYS B 29 8.118 -5.293 9.618 1.00 9.41 H new ATOM 2152 N VAL B 30 7.200 -7.945 8.577 1.00 11.19 N ATOM 2153 CA VAL B 30 7.720 -8.935 9.505 1.00 12.16 C ATOM 2154 C VAL B 30 7.882 -10.294 8.825 1.00 12.13 C ATOM 2155 O VAL B 30 8.834 -11.023 9.091 1.00 12.06 O ATOM 2156 CB VAL B 30 6.804 -9.088 10.735 1.00 12.71 C ATOM 2157 CG1 VAL B 30 7.473 -9.948 11.795 1.00 13.64 C ATOM 2158 CG2 VAL B 30 6.432 -7.726 11.309 1.00 12.09 C ATOM 0 H VAL B 30 6.276 -7.588 8.821 1.00 11.19 H new ATOM 0 HA VAL B 30 8.697 -8.580 9.835 1.00 12.16 H new ATOM 0 HB VAL B 30 5.887 -9.583 10.415 1.00 12.71 H new ATOM 0 HG11 VAL B 30 6.811 -10.045 12.656 1.00 13.64 H new ATOM 0 HG12 VAL B 30 7.681 -10.936 11.384 1.00 13.64 H new ATOM 0 HG13 VAL B 30 8.407 -9.481 12.106 1.00 13.64 H new ATOM 0 HG21 VAL B 30 5.785 -7.861 12.176 1.00 12.09 H new ATOM 0 HG22 VAL B 30 7.337 -7.198 11.610 1.00 12.09 H new ATOM 0 HG23 VAL B 30 5.907 -7.143 10.552 1.00 12.09 H new ATOM 2168 N ALA B 31 6.966 -10.620 7.930 1.00 12.22 N ATOM 2169 CA ALA B 31 7.021 -11.888 7.221 1.00 12.23 C ATOM 2170 C ALA B 31 7.916 -11.783 5.993 1.00 12.35 C ATOM 2171 O ALA B 31 8.384 -12.790 5.462 1.00 12.90 O ATOM 2172 CB ALA B 31 5.624 -12.330 6.822 1.00 12.06 C ATOM 0 H ALA B 31 6.176 -10.026 7.677 1.00 12.22 H new ATOM 0 HA ALA B 31 7.447 -12.636 7.890 1.00 12.23 H new ATOM 0 HB1 ALA B 31 5.681 -13.281 6.292 1.00 12.06 H new ATOM 0 HB2 ALA B 31 5.011 -12.449 7.715 1.00 12.06 H new ATOM 0 HB3 ALA B 31 5.176 -11.578 6.172 1.00 12.06 H new ATOM 2178 N THR B 32 8.157 -10.560 5.550 1.00 11.87 N ATOM 2179 CA THR B 32 8.983 -10.329 4.378 1.00 11.93 C ATOM 2180 C THR B 32 10.474 -10.300 4.727 1.00 12.13 C ATOM 2181 O THR B 32 11.253 -11.091 4.196 1.00 12.07 O ATOM 2182 CB THR B 32 8.592 -9.015 3.678 1.00 11.28 C ATOM 2183 OG1 THR B 32 7.174 -8.970 3.480 1.00 10.74 O ATOM 2184 CG2 THR B 32 9.293 -8.881 2.333 1.00 11.32 C ATOM 0 H THR B 32 7.792 -9.712 5.985 1.00 11.87 H new ATOM 0 HA THR B 32 8.807 -11.164 3.699 1.00 11.93 H new ATOM 0 HB THR B 32 8.902 -8.188 4.317 1.00 11.28 H new ATOM 0 HG1 THR B 32 6.734 -8.728 4.321 1.00 10.74 H new ATOM 0 HG21 THR B 32 8.998 -7.944 1.861 1.00 11.32 H new ATOM 0 HG22 THR B 32 10.373 -8.888 2.483 1.00 11.32 H new ATOM 0 HG23 THR B 32 9.011 -9.715 1.691 1.00 11.32 H new ATOM 2192 N VAL B 33 10.873 -9.403 5.625 1.00 12.47 N ATOM 2193 CA VAL B 33 12.281 -9.289 6.000 1.00 12.77 C ATOM 2194 C VAL B 33 12.501 -9.485 7.497 1.00 13.33 C ATOM 2195 O VAL B 33 13.638 -9.488 7.968 1.00 13.87 O ATOM 2196 CB VAL B 33 12.875 -7.924 5.585 1.00 12.98 C ATOM 2197 CG1 VAL B 33 13.102 -7.873 4.084 1.00 12.95 C ATOM 2198 CG2 VAL B 33 11.973 -6.781 6.027 1.00 13.04 C ATOM 0 H VAL B 33 10.250 -8.751 6.102 1.00 12.47 H new ATOM 0 HA VAL B 33 12.794 -10.087 5.462 1.00 12.77 H new ATOM 0 HB VAL B 33 13.837 -7.809 6.084 1.00 12.98 H new ATOM 0 HG11 VAL B 33 13.521 -6.904 3.812 1.00 12.95 H new ATOM 0 HG12 VAL B 33 13.796 -8.662 3.794 1.00 12.95 H new ATOM 0 HG13 VAL B 33 12.153 -8.016 3.567 1.00 12.95 H new ATOM 0 HG21 VAL B 33 12.413 -5.831 5.723 1.00 13.04 H new ATOM 0 HG22 VAL B 33 10.993 -6.891 5.564 1.00 13.04 H new ATOM 0 HG23 VAL B 33 11.866 -6.801 7.112 1.00 13.04 H new ATOM 2208 N GLY B 34 11.419 -9.622 8.247 1.00 13.22 N ATOM 2209 CA GLY B 34 11.537 -9.820 9.680 1.00 13.79 C ATOM 2210 C GLY B 34 11.621 -8.518 10.452 1.00 13.48 C ATOM 2211 O GLY B 34 11.394 -8.491 11.662 1.00 13.67 O ATOM 0 H GLY B 34 10.463 -9.600 7.893 1.00 13.22 H new ATOM 0 HA2 GLY B 34 10.679 -10.392 10.034 1.00 13.79 H new ATOM 0 HA3 GLY B 34 12.425 -10.417 9.887 1.00 13.79 H new ATOM 2215 N TYR B 35 11.950 -7.441 9.755 1.00 13.06 N ATOM 2216 CA TYR B 35 12.063 -6.126 10.372 1.00 12.84 C ATOM 2217 C TYR B 35 10.705 -5.629 10.844 1.00 12.88 C ATOM 2218 O TYR B 35 9.702 -5.776 10.143 1.00 12.93 O ATOM 2219 CB TYR B 35 12.651 -5.121 9.383 1.00 12.71 C ATOM 2220 CG TYR B 35 14.158 -5.057 9.389 1.00 13.12 C ATOM 2221 CD1 TYR B 35 14.860 -4.829 10.563 1.00 13.55 C ATOM 2222 CD2 TYR B 35 14.875 -5.208 8.213 1.00 13.47 C ATOM 2223 CE1 TYR B 35 16.238 -4.752 10.565 1.00 14.27 C ATOM 2224 CE2 TYR B 35 16.250 -5.135 8.206 1.00 14.23 C ATOM 2225 CZ TYR B 35 16.927 -4.908 9.382 1.00 14.46 C ATOM 2226 OH TYR B 35 18.297 -4.834 9.371 1.00 15.38 O ATOM 0 H TYR B 35 12.145 -7.452 8.754 1.00 13.06 H new ATOM 0 HA TYR B 35 12.725 -6.219 11.233 1.00 12.84 H new ATOM 0 HB2 TYR B 35 12.313 -5.377 8.379 1.00 12.71 H new ATOM 0 HB3 TYR B 35 12.256 -4.131 9.610 1.00 12.71 H new ATOM 0 HD1 TYR B 35 14.320 -4.710 11.491 1.00 13.55 H new ATOM 0 HD2 TYR B 35 14.347 -5.386 7.288 1.00 13.47 H new ATOM 0 HE1 TYR B 35 16.772 -4.571 11.486 1.00 14.27 H new ATOM 0 HE2 TYR B 35 16.795 -5.255 7.281 1.00 14.23 H new ATOM 0 HH TYR B 35 18.674 -5.716 9.574 1.00 15.38 H new ATOM 2236 N GLN B 36 10.673 -5.057 12.036 1.00 12.95 N ATOM 2237 CA GLN B 36 9.441 -4.519 12.584 1.00 13.09 C ATOM 2238 C GLN B 36 9.185 -3.140 11.981 1.00 13.29 C ATOM 2239 O GLN B 36 10.132 -2.449 11.609 1.00 13.05 O ATOM 2240 CB GLN B 36 9.530 -4.422 14.110 1.00 13.40 C ATOM 2241 CG GLN B 36 9.865 -5.739 14.800 1.00 13.22 C ATOM 2242 CD GLN B 36 8.912 -6.864 14.434 1.00 13.36 C ATOM 2243 OE1 GLN B 36 9.293 -7.672 13.457 1.00 13.78 O flip ATOM 2244 NE2 GLN B 36 7.848 -7.017 15.034 1.00 13.13 N flip ATOM 0 H GLN B 36 11.487 -4.954 12.642 1.00 12.95 H new ATOM 0 HA GLN B 36 8.615 -5.185 12.334 1.00 13.09 H new ATOM 0 HB2 GLN B 36 10.288 -3.684 14.373 1.00 13.40 H new ATOM 0 HB3 GLN B 36 8.579 -4.054 14.496 1.00 13.40 H new ATOM 0 HG2 GLN B 36 10.881 -6.032 14.536 1.00 13.22 H new ATOM 0 HG3 GLN B 36 9.846 -5.592 15.880 1.00 13.22 H new ATOM 0 HE21 GLN B 36 7.587 -6.374 15.782 1.00 13.13 H new ATOM 0 HE22 GLN B 36 7.227 -7.786 14.783 1.00 13.13 H new ATOM 2253 N PRO B 37 7.914 -2.721 11.870 1.00 13.77 N ATOM 2254 CA PRO B 37 7.552 -1.416 11.300 1.00 14.06 C ATOM 2255 C PRO B 37 8.332 -0.259 11.923 1.00 14.37 C ATOM 2256 O PRO B 37 8.841 0.612 11.219 1.00 14.17 O ATOM 2257 CB PRO B 37 6.063 -1.291 11.626 1.00 14.71 C ATOM 2258 CG PRO B 37 5.579 -2.693 11.714 1.00 14.52 C ATOM 2259 CD PRO B 37 6.723 -3.492 12.276 1.00 14.10 C ATOM 0 HA PRO B 37 7.781 -1.364 10.236 1.00 14.06 H new ATOM 0 HB2 PRO B 37 5.906 -0.758 12.564 1.00 14.71 H new ATOM 0 HB3 PRO B 37 5.533 -0.737 10.852 1.00 14.71 H new ATOM 0 HG2 PRO B 37 4.701 -2.763 12.357 1.00 14.52 H new ATOM 0 HG3 PRO B 37 5.287 -3.067 10.733 1.00 14.52 H new ATOM 0 HD2 PRO B 37 6.654 -3.583 13.360 1.00 14.10 H new ATOM 0 HD3 PRO B 37 6.743 -4.504 11.871 1.00 14.10 H new ATOM 2267 N GLN B 38 8.449 -0.279 13.246 1.00 14.87 N ATOM 2268 CA GLN B 38 9.149 0.771 13.982 1.00 15.23 C ATOM 2269 C GLN B 38 10.642 0.809 13.653 1.00 14.56 C ATOM 2270 O GLN B 38 11.280 1.855 13.775 1.00 14.37 O ATOM 2271 CB GLN B 38 8.955 0.579 15.487 1.00 16.33 C ATOM 2272 CG GLN B 38 7.535 0.845 15.969 1.00 17.13 C ATOM 2273 CD GLN B 38 6.578 -0.287 15.639 1.00 17.26 C ATOM 2274 OE1 GLN B 38 6.985 -1.441 15.503 1.00 17.15 O ATOM 2275 NE2 GLN B 38 5.301 0.035 15.505 1.00 17.54 N ATOM 0 H GLN B 38 8.065 -1.017 13.836 1.00 14.87 H new ATOM 0 HA GLN B 38 8.718 1.724 13.674 1.00 15.23 H new ATOM 0 HB2 GLN B 38 9.232 -0.442 15.751 1.00 16.33 H new ATOM 0 HB3 GLN B 38 9.638 1.242 16.018 1.00 16.33 H new ATOM 0 HG2 GLN B 38 7.546 1.002 17.048 1.00 17.13 H new ATOM 0 HG3 GLN B 38 7.170 1.767 15.516 1.00 17.13 H new ATOM 0 HE21 GLN B 38 5.004 1.003 15.626 1.00 17.54 H new ATOM 0 HE22 GLN B 38 4.614 -0.685 15.281 1.00 17.54 H new ATOM 2284 N GLU B 39 11.192 -0.320 13.217 1.00 14.24 N ATOM 2285 CA GLU B 39 12.611 -0.399 12.884 1.00 13.70 C ATOM 2286 C GLU B 39 12.925 0.408 11.630 1.00 13.37 C ATOM 2287 O GLU B 39 14.053 0.863 11.439 1.00 13.53 O ATOM 2288 CB GLU B 39 13.035 -1.854 12.678 1.00 13.16 C ATOM 2289 CG GLU B 39 12.848 -2.727 13.908 1.00 13.35 C ATOM 2290 CD GLU B 39 13.609 -4.034 13.813 1.00 12.51 C ATOM 2291 OE1 GLU B 39 14.846 -4.021 13.983 1.00 12.54 O ATOM 2292 OE2 GLU B 39 12.974 -5.085 13.577 1.00 12.57 O ATOM 0 H GLU B 39 10.678 -1.191 13.086 1.00 14.24 H new ATOM 0 HA GLU B 39 13.171 0.022 13.719 1.00 13.70 H new ATOM 0 HB2 GLU B 39 12.461 -2.277 11.853 1.00 13.16 H new ATOM 0 HB3 GLU B 39 14.084 -1.879 12.382 1.00 13.16 H new ATOM 0 HG2 GLU B 39 13.179 -2.181 14.791 1.00 13.35 H new ATOM 0 HG3 GLU B 39 11.787 -2.937 14.043 1.00 13.35 H new ATOM 2299 N LEU B 40 11.922 0.581 10.777 1.00 12.99 N ATOM 2300 CA LEU B 40 12.091 1.333 9.540 1.00 12.68 C ATOM 2301 C LEU B 40 11.671 2.785 9.726 1.00 12.42 C ATOM 2302 O LEU B 40 12.080 3.664 8.967 1.00 12.12 O ATOM 2303 CB LEU B 40 11.273 0.700 8.408 1.00 13.01 C ATOM 2304 CG LEU B 40 11.866 -0.566 7.779 1.00 13.16 C ATOM 2305 CD1 LEU B 40 13.366 -0.418 7.578 1.00 13.20 C ATOM 2306 CD2 LEU B 40 11.551 -1.790 8.626 1.00 14.03 C ATOM 0 H LEU B 40 10.983 0.210 10.920 1.00 12.99 H new ATOM 0 HA LEU B 40 13.148 1.305 9.274 1.00 12.68 H new ATOM 0 HB2 LEU B 40 10.281 0.461 8.792 1.00 13.01 H new ATOM 0 HB3 LEU B 40 11.139 1.444 7.623 1.00 13.01 H new ATOM 0 HG LEU B 40 11.406 -0.705 6.801 1.00 13.16 H new ATOM 0 HD11 LEU B 40 13.765 -1.328 7.131 1.00 13.20 H new ATOM 0 HD12 LEU B 40 13.563 0.427 6.918 1.00 13.20 H new ATOM 0 HD13 LEU B 40 13.847 -0.246 8.541 1.00 13.20 H new ATOM 0 HD21 LEU B 40 11.982 -2.676 8.160 1.00 14.03 H new ATOM 0 HD22 LEU B 40 11.975 -1.662 9.622 1.00 14.03 H new ATOM 0 HD23 LEU B 40 10.470 -1.910 8.704 1.00 14.03 H new ATOM 2318 N LEU B 41 10.852 3.033 10.740 1.00 12.56 N ATOM 2319 CA LEU B 41 10.374 4.379 11.023 1.00 12.35 C ATOM 2320 C LEU B 41 11.535 5.307 11.357 1.00 11.89 C ATOM 2321 O LEU B 41 12.273 5.074 12.314 1.00 11.86 O ATOM 2322 CB LEU B 41 9.370 4.369 12.178 1.00 13.17 C ATOM 2323 CG LEU B 41 8.107 3.534 11.942 1.00 13.46 C ATOM 2324 CD1 LEU B 41 7.116 3.728 13.078 1.00 13.62 C ATOM 2325 CD2 LEU B 41 7.468 3.891 10.609 1.00 13.49 C ATOM 0 H LEU B 41 10.505 2.319 11.380 1.00 12.56 H new ATOM 0 HA LEU B 41 9.875 4.749 10.127 1.00 12.35 H new ATOM 0 HB2 LEU B 41 9.872 3.994 13.070 1.00 13.17 H new ATOM 0 HB3 LEU B 41 9.072 5.396 12.387 1.00 13.17 H new ATOM 0 HG LEU B 41 8.394 2.483 11.913 1.00 13.46 H new ATOM 0 HD11 LEU B 41 6.226 3.127 12.891 1.00 13.62 H new ATOM 0 HD12 LEU B 41 7.574 3.417 14.017 1.00 13.62 H new ATOM 0 HD13 LEU B 41 6.836 4.780 13.141 1.00 13.62 H new ATOM 0 HD21 LEU B 41 6.573 3.287 10.461 1.00 13.49 H new ATOM 0 HD22 LEU B 41 7.198 4.947 10.606 1.00 13.49 H new ATOM 0 HD23 LEU B 41 8.175 3.696 9.803 1.00 13.49 H new ATOM 2337 N GLY B 42 11.700 6.346 10.553 1.00 11.62 N ATOM 2338 CA GLY B 42 12.774 7.294 10.774 1.00 11.31 C ATOM 2339 C GLY B 42 14.095 6.816 10.208 1.00 11.25 C ATOM 2340 O GLY B 42 15.142 7.405 10.471 1.00 11.52 O ATOM 0 H GLY B 42 11.108 6.551 9.748 1.00 11.62 H new ATOM 0 HA2 GLY B 42 12.511 8.249 10.318 1.00 11.31 H new ATOM 0 HA3 GLY B 42 12.884 7.471 11.844 1.00 11.31 H new ATOM 2344 N LYS B 43 14.048 5.744 9.435 1.00 10.99 N ATOM 2345 CA LYS B 43 15.242 5.187 8.826 1.00 11.02 C ATOM 2346 C LYS B 43 15.142 5.264 7.312 1.00 10.14 C ATOM 2347 O LYS B 43 14.043 5.330 6.759 1.00 9.53 O ATOM 2348 CB LYS B 43 15.435 3.733 9.265 1.00 11.75 C ATOM 2349 CG LYS B 43 15.796 3.571 10.734 1.00 12.72 C ATOM 2350 CD LYS B 43 17.296 3.685 10.957 1.00 13.24 C ATOM 2351 CE LYS B 43 17.743 5.133 11.093 1.00 13.72 C ATOM 2352 NZ LYS B 43 19.208 5.279 10.889 1.00 13.82 N ATOM 0 H LYS B 43 13.189 5.240 9.214 1.00 10.99 H new ATOM 0 HA LYS B 43 16.103 5.769 9.154 1.00 11.02 H new ATOM 0 HB2 LYS B 43 14.518 3.179 9.064 1.00 11.75 H new ATOM 0 HB3 LYS B 43 16.219 3.282 8.657 1.00 11.75 H new ATOM 0 HG2 LYS B 43 15.281 4.331 11.322 1.00 12.72 H new ATOM 0 HG3 LYS B 43 15.447 2.602 11.090 1.00 12.72 H new ATOM 0 HD2 LYS B 43 17.572 3.134 11.856 1.00 13.24 H new ATOM 0 HD3 LYS B 43 17.823 3.220 10.124 1.00 13.24 H new ATOM 0 HE2 LYS B 43 17.212 5.747 10.366 1.00 13.72 H new ATOM 0 HE3 LYS B 43 17.475 5.505 12.082 1.00 13.72 H new ATOM 0 HZ1 LYS B 43 19.414 6.230 10.522 1.00 13.82 H new ATOM 0 HZ2 LYS B 43 19.700 5.144 11.795 1.00 13.82 H new ATOM 0 HZ3 LYS B 43 19.536 4.566 10.207 1.00 13.82 H new ATOM 2366 N ASN B 44 16.288 5.261 6.651 1.00 10.16 N ATOM 2367 CA ASN B 44 16.333 5.329 5.198 1.00 9.44 C ATOM 2368 C ASN B 44 16.388 3.927 4.616 1.00 9.58 C ATOM 2369 O ASN B 44 17.138 3.079 5.098 1.00 10.05 O ATOM 2370 CB ASN B 44 17.559 6.115 4.713 1.00 8.98 C ATOM 2371 CG ASN B 44 17.589 7.556 5.190 1.00 8.84 C ATOM 2372 OD1 ASN B 44 18.032 7.846 6.299 1.00 9.30 O ATOM 2373 ND2 ASN B 44 17.146 8.474 4.349 1.00 8.30 N ATOM 0 H ASN B 44 17.203 5.212 7.099 1.00 10.16 H new ATOM 0 HA ASN B 44 15.432 5.842 4.862 1.00 9.44 H new ATOM 0 HB2 ASN B 44 18.462 5.610 5.055 1.00 8.98 H new ATOM 0 HB3 ASN B 44 17.580 6.102 3.623 1.00 8.98 H new ATOM 0 HD21 ASN B 44 17.165 9.459 4.613 1.00 8.30 H new ATOM 0 HD22 ASN B 44 16.785 8.197 3.436 1.00 8.30 H new ATOM 2380 N ILE B 45 15.602 3.689 3.577 1.00 9.27 N ATOM 2381 CA ILE B 45 15.577 2.389 2.912 1.00 9.41 C ATOM 2382 C ILE B 45 16.962 2.031 2.362 1.00 9.62 C ATOM 2383 O ILE B 45 17.318 0.860 2.241 1.00 9.60 O ATOM 2384 CB ILE B 45 14.533 2.376 1.767 1.00 9.37 C ATOM 2385 CG1 ILE B 45 14.483 1.005 1.082 1.00 9.51 C ATOM 2386 CG2 ILE B 45 14.829 3.475 0.755 1.00 9.43 C ATOM 2387 CD1 ILE B 45 13.379 0.876 0.052 1.00 9.46 C ATOM 0 H ILE B 45 14.970 4.380 3.173 1.00 9.27 H new ATOM 0 HA ILE B 45 15.292 1.642 3.653 1.00 9.41 H new ATOM 0 HB ILE B 45 13.553 2.568 2.204 1.00 9.37 H new ATOM 0 HG12 ILE B 45 15.442 0.815 0.599 1.00 9.51 H new ATOM 0 HG13 ILE B 45 14.351 0.234 1.841 1.00 9.51 H new ATOM 0 HG21 ILE B 45 14.084 3.448 -0.040 1.00 9.43 H new ATOM 0 HG22 ILE B 45 14.795 4.445 1.251 1.00 9.43 H new ATOM 0 HG23 ILE B 45 15.820 3.320 0.329 1.00 9.43 H new ATOM 0 HD11 ILE B 45 13.407 -0.120 -0.389 1.00 9.46 H new ATOM 0 HD12 ILE B 45 12.413 1.033 0.532 1.00 9.46 H new ATOM 0 HD13 ILE B 45 13.521 1.623 -0.729 1.00 9.46 H new ATOM 2399 N VAL B 46 17.754 3.059 2.072 1.00 9.93 N ATOM 2400 CA VAL B 46 19.095 2.878 1.536 1.00 10.30 C ATOM 2401 C VAL B 46 20.048 2.322 2.600 1.00 10.43 C ATOM 2402 O VAL B 46 21.061 1.702 2.277 1.00 10.29 O ATOM 2403 CB VAL B 46 19.645 4.210 0.968 1.00 10.71 C ATOM 2404 CG1 VAL B 46 20.001 5.185 2.080 1.00 11.50 C ATOM 2405 CG2 VAL B 46 20.842 3.964 0.062 1.00 11.12 C ATOM 0 H VAL B 46 17.485 4.034 2.202 1.00 9.93 H new ATOM 0 HA VAL B 46 19.030 2.153 0.725 1.00 10.30 H new ATOM 0 HB VAL B 46 18.853 4.663 0.371 1.00 10.71 H new ATOM 0 HG11 VAL B 46 20.384 6.109 1.645 1.00 11.50 H new ATOM 0 HG12 VAL B 46 19.112 5.403 2.671 1.00 11.50 H new ATOM 0 HG13 VAL B 46 20.763 4.743 2.721 1.00 11.50 H new ATOM 0 HG21 VAL B 46 21.208 4.916 -0.323 1.00 11.12 H new ATOM 0 HG22 VAL B 46 21.633 3.473 0.629 1.00 11.12 H new ATOM 0 HG23 VAL B 46 20.543 3.327 -0.770 1.00 11.12 H new ATOM 2415 N GLU B 47 19.700 2.514 3.870 1.00 10.71 N ATOM 2416 CA GLU B 47 20.533 2.037 4.969 1.00 10.91 C ATOM 2417 C GLU B 47 20.487 0.517 5.058 1.00 11.16 C ATOM 2418 O GLU B 47 21.453 -0.123 5.476 1.00 11.89 O ATOM 2419 CB GLU B 47 20.074 2.638 6.300 1.00 10.79 C ATOM 2420 CG GLU B 47 20.210 4.149 6.374 1.00 10.56 C ATOM 2421 CD GLU B 47 19.833 4.692 7.737 1.00 10.89 C ATOM 2422 OE1 GLU B 47 20.713 4.769 8.620 1.00 11.17 O ATOM 2423 OE2 GLU B 47 18.658 5.046 7.941 1.00 10.95 O ATOM 0 H GLU B 47 18.849 2.995 4.162 1.00 10.71 H new ATOM 0 HA GLU B 47 21.557 2.353 4.770 1.00 10.91 H new ATOM 0 HB2 GLU B 47 19.031 2.368 6.468 1.00 10.79 H new ATOM 0 HB3 GLU B 47 20.653 2.191 7.108 1.00 10.79 H new ATOM 0 HG2 GLU B 47 21.237 4.431 6.144 1.00 10.56 H new ATOM 0 HG3 GLU B 47 19.576 4.607 5.615 1.00 10.56 H new ATOM 2430 N PHE B 48 19.362 -0.053 4.654 1.00 10.58 N ATOM 2431 CA PHE B 48 19.170 -1.497 4.692 1.00 10.76 C ATOM 2432 C PHE B 48 19.261 -2.083 3.289 1.00 9.96 C ATOM 2433 O PHE B 48 18.772 -3.179 3.026 1.00 9.35 O ATOM 2434 CB PHE B 48 17.811 -1.838 5.311 1.00 11.00 C ATOM 2435 CG PHE B 48 17.560 -1.170 6.635 1.00 11.61 C ATOM 2436 CD1 PHE B 48 16.998 0.097 6.695 1.00 11.83 C ATOM 2437 CD2 PHE B 48 17.888 -1.808 7.819 1.00 12.05 C ATOM 2438 CE1 PHE B 48 16.770 0.711 7.910 1.00 12.47 C ATOM 2439 CE2 PHE B 48 17.662 -1.198 9.038 1.00 12.71 C ATOM 2440 CZ PHE B 48 17.103 0.062 9.084 1.00 13.60 C ATOM 0 H PHE B 48 18.562 0.466 4.293 1.00 10.58 H new ATOM 0 HA PHE B 48 19.958 -1.931 5.307 1.00 10.76 H new ATOM 0 HB2 PHE B 48 17.023 -1.550 4.615 1.00 11.00 H new ATOM 0 HB3 PHE B 48 17.743 -2.918 5.441 1.00 11.00 H new ATOM 0 HD1 PHE B 48 16.736 0.609 5.781 1.00 11.83 H new ATOM 0 HD2 PHE B 48 18.326 -2.795 7.790 1.00 12.05 H new ATOM 0 HE1 PHE B 48 16.332 1.698 7.943 1.00 12.47 H new ATOM 0 HE2 PHE B 48 17.923 -1.707 9.954 1.00 12.71 H new ATOM 0 HZ PHE B 48 16.926 0.541 10.036 1.00 13.60 H new ATOM 2450 N CYS B 49 19.895 -1.349 2.396 1.00 10.07 N ATOM 2451 CA CYS B 49 20.046 -1.793 1.024 1.00 9.47 C ATOM 2452 C CYS B 49 21.469 -2.278 0.776 1.00 9.93 C ATOM 2453 O CYS B 49 22.413 -1.841 1.444 1.00 10.81 O ATOM 2454 CB CYS B 49 19.696 -0.656 0.056 1.00 9.48 C ATOM 2455 SG CYS B 49 19.822 -1.097 -1.694 1.00 9.00 S ATOM 0 H CYS B 49 20.315 -0.441 2.596 1.00 10.07 H new ATOM 0 HA CYS B 49 19.361 -2.623 0.851 1.00 9.47 H new ATOM 0 HB2 CYS B 49 18.679 -0.321 0.261 1.00 9.48 H new ATOM 0 HB3 CYS B 49 20.356 0.189 0.253 1.00 9.48 H new ATOM 0 HG CYS B 49 18.806 -1.836 -2.030 1.00 9.00 H new ATOM 2461 N HIS B 50 21.609 -3.201 -0.168 1.00 9.34 N ATOM 2462 CA HIS B 50 22.906 -3.746 -0.538 1.00 9.67 C ATOM 2463 C HIS B 50 23.795 -2.629 -1.071 1.00 9.57 C ATOM 2464 O HIS B 50 23.391 -1.902 -1.971 1.00 9.10 O ATOM 2465 CB HIS B 50 22.723 -4.836 -1.599 1.00 9.86 C ATOM 2466 CG HIS B 50 23.959 -5.628 -1.890 1.00 10.44 C ATOM 2467 ND1 HIS B 50 24.407 -5.869 -3.167 1.00 10.42 N ATOM 2468 CD2 HIS B 50 24.835 -6.245 -1.064 1.00 11.13 C ATOM 2469 CE1 HIS B 50 25.502 -6.599 -3.116 1.00 11.06 C ATOM 2470 NE2 HIS B 50 25.783 -6.841 -1.852 1.00 11.49 N ATOM 0 H HIS B 50 20.828 -3.591 -0.696 1.00 9.34 H new ATOM 0 HA HIS B 50 23.382 -4.187 0.338 1.00 9.67 H new ATOM 0 HB2 HIS B 50 21.938 -5.517 -1.271 1.00 9.86 H new ATOM 0 HB3 HIS B 50 22.377 -4.373 -2.523 1.00 9.86 H new ATOM 0 HD1 HIS B 50 23.961 -5.535 -4.021 1.00 10.42 H new ATOM 0 HD2 HIS B 50 24.794 -6.264 0.015 1.00 11.13 H new ATOM 0 HE1 HIS B 50 26.073 -6.941 -3.966 1.00 11.06 H new ATOM 2479 N PRO B 51 25.004 -2.472 -0.508 1.00 10.07 N ATOM 2480 CA PRO B 51 25.960 -1.430 -0.910 1.00 10.05 C ATOM 2481 C PRO B 51 26.073 -1.234 -2.426 1.00 9.24 C ATOM 2482 O PRO B 51 25.958 -0.116 -2.917 1.00 9.13 O ATOM 2483 CB PRO B 51 27.276 -1.944 -0.333 1.00 10.76 C ATOM 2484 CG PRO B 51 26.876 -2.676 0.898 1.00 11.35 C ATOM 2485 CD PRO B 51 25.531 -3.288 0.603 1.00 10.77 C ATOM 0 HA PRO B 51 25.654 -0.448 -0.549 1.00 10.05 H new ATOM 0 HB2 PRO B 51 27.790 -2.599 -1.036 1.00 10.76 H new ATOM 0 HB3 PRO B 51 27.957 -1.124 -0.105 1.00 10.76 H new ATOM 0 HG2 PRO B 51 27.607 -3.445 1.149 1.00 11.35 H new ATOM 0 HG3 PRO B 51 26.818 -2.000 1.751 1.00 11.35 H new ATOM 0 HD2 PRO B 51 25.623 -4.336 0.320 1.00 10.77 H new ATOM 0 HD3 PRO B 51 24.875 -3.249 1.473 1.00 10.77 H new ATOM 2493 N GLU B 52 26.269 -2.322 -3.166 1.00 8.71 N ATOM 2494 CA GLU B 52 26.411 -2.243 -4.622 1.00 7.99 C ATOM 2495 C GLU B 52 25.073 -2.020 -5.334 1.00 7.30 C ATOM 2496 O GLU B 52 25.019 -1.982 -6.562 1.00 7.14 O ATOM 2497 CB GLU B 52 27.070 -3.513 -5.163 1.00 7.73 C ATOM 2498 CG GLU B 52 28.429 -3.802 -4.550 1.00 8.39 C ATOM 2499 CD GLU B 52 28.365 -4.869 -3.480 1.00 8.75 C ATOM 2500 OE1 GLU B 52 28.510 -6.062 -3.818 1.00 9.28 O ATOM 2501 OE2 GLU B 52 28.164 -4.519 -2.298 1.00 8.56 O ATOM 0 H GLU B 52 26.333 -3.266 -2.786 1.00 8.71 H new ATOM 0 HA GLU B 52 27.042 -1.379 -4.827 1.00 7.99 H new ATOM 0 HB2 GLU B 52 26.410 -4.361 -4.979 1.00 7.73 H new ATOM 0 HB3 GLU B 52 27.180 -3.423 -6.244 1.00 7.73 H new ATOM 0 HG2 GLU B 52 29.118 -4.118 -5.333 1.00 8.39 H new ATOM 0 HG3 GLU B 52 28.833 -2.885 -4.121 1.00 8.39 H new ATOM 2508 N ASP B 53 23.997 -1.868 -4.576 1.00 6.93 N ATOM 2509 CA ASP B 53 22.678 -1.648 -5.167 1.00 6.34 C ATOM 2510 C ASP B 53 22.028 -0.397 -4.591 1.00 5.91 C ATOM 2511 O ASP B 53 20.893 -0.059 -4.929 1.00 5.54 O ATOM 2512 CB ASP B 53 21.770 -2.859 -4.939 1.00 6.55 C ATOM 2513 CG ASP B 53 22.245 -4.087 -5.684 1.00 6.92 C ATOM 2514 OD1 ASP B 53 22.044 -4.163 -6.915 1.00 6.70 O ATOM 2515 OD2 ASP B 53 22.834 -4.985 -5.044 1.00 7.52 O ATOM 0 H ASP B 53 24.007 -1.892 -3.556 1.00 6.93 H new ATOM 0 HA ASP B 53 22.814 -1.510 -6.240 1.00 6.34 H new ATOM 0 HB2 ASP B 53 21.725 -3.080 -3.873 1.00 6.55 H new ATOM 0 HB3 ASP B 53 20.757 -2.614 -5.257 1.00 6.55 H new ATOM 2520 N GLN B 54 22.767 0.296 -3.734 1.00 6.02 N ATOM 2521 CA GLN B 54 22.272 1.511 -3.100 1.00 5.71 C ATOM 2522 C GLN B 54 22.101 2.625 -4.129 1.00 5.50 C ATOM 2523 O GLN B 54 21.150 3.408 -4.060 1.00 5.31 O ATOM 2524 CB GLN B 54 23.218 1.942 -1.978 1.00 5.84 C ATOM 2525 CG GLN B 54 22.987 1.184 -0.680 1.00 6.08 C ATOM 2526 CD GLN B 54 24.071 1.434 0.348 1.00 6.24 C ATOM 2527 OE1 GLN B 54 24.718 2.481 0.347 1.00 6.57 O ATOM 2528 NE2 GLN B 54 24.263 0.479 1.244 1.00 6.11 N ATOM 0 H GLN B 54 23.715 0.036 -3.461 1.00 6.02 H new ATOM 0 HA GLN B 54 21.294 1.305 -2.666 1.00 5.71 H new ATOM 0 HB2 GLN B 54 24.248 1.792 -2.301 1.00 5.84 H new ATOM 0 HB3 GLN B 54 23.094 3.009 -1.796 1.00 5.84 H new ATOM 0 HG2 GLN B 54 22.023 1.474 -0.262 1.00 6.08 H new ATOM 0 HG3 GLN B 54 22.934 0.116 -0.893 1.00 6.08 H new ATOM 0 HE21 GLN B 54 23.704 -0.374 1.208 1.00 6.11 H new ATOM 0 HE22 GLN B 54 24.970 0.596 1.970 1.00 6.11 H new ATOM 2537 N GLN B 55 23.020 2.690 -5.086 1.00 5.71 N ATOM 2538 CA GLN B 55 22.952 3.690 -6.142 1.00 5.60 C ATOM 2539 C GLN B 55 21.723 3.419 -7.004 1.00 4.67 C ATOM 2540 O GLN B 55 21.008 4.341 -7.397 1.00 4.24 O ATOM 2541 CB GLN B 55 24.225 3.659 -6.997 1.00 6.32 C ATOM 2542 CG GLN B 55 24.140 4.493 -8.267 1.00 6.58 C ATOM 2543 CD GLN B 55 24.150 5.986 -7.999 1.00 6.45 C ATOM 2544 OE1 GLN B 55 24.795 6.460 -7.064 1.00 6.54 O ATOM 2545 NE2 GLN B 55 23.430 6.736 -8.818 1.00 6.35 N ATOM 0 H GLN B 55 23.821 2.061 -5.151 1.00 5.71 H new ATOM 0 HA GLN B 55 22.872 4.682 -5.697 1.00 5.60 H new ATOM 0 HB2 GLN B 55 25.062 4.015 -6.396 1.00 6.32 H new ATOM 0 HB3 GLN B 55 24.443 2.626 -7.267 1.00 6.32 H new ATOM 0 HG2 GLN B 55 24.978 4.241 -8.917 1.00 6.58 H new ATOM 0 HG3 GLN B 55 23.229 4.232 -8.806 1.00 6.58 H new ATOM 0 HE21 GLN B 55 22.910 6.303 -9.581 1.00 6.35 H new ATOM 0 HE22 GLN B 55 23.395 7.747 -8.686 1.00 6.35 H new ATOM 2554 N LEU B 56 21.491 2.138 -7.269 1.00 4.60 N ATOM 2555 CA LEU B 56 20.351 1.689 -8.058 1.00 4.04 C ATOM 2556 C LEU B 56 19.043 2.168 -7.437 1.00 4.15 C ATOM 2557 O LEU B 56 18.159 2.668 -8.134 1.00 4.24 O ATOM 2558 CB LEU B 56 20.365 0.160 -8.145 1.00 3.86 C ATOM 2559 CG LEU B 56 19.121 -0.483 -8.760 1.00 3.93 C ATOM 2560 CD1 LEU B 56 19.054 -0.201 -10.253 1.00 3.88 C ATOM 2561 CD2 LEU B 56 19.119 -1.980 -8.493 1.00 4.08 C ATOM 0 H LEU B 56 22.090 1.380 -6.942 1.00 4.60 H new ATOM 0 HA LEU B 56 20.425 2.112 -9.060 1.00 4.04 H new ATOM 0 HB2 LEU B 56 21.234 -0.144 -8.728 1.00 3.86 H new ATOM 0 HB3 LEU B 56 20.499 -0.241 -7.140 1.00 3.86 H new ATOM 0 HG LEU B 56 18.237 -0.047 -8.295 1.00 3.93 H new ATOM 0 HD11 LEU B 56 18.162 -0.667 -10.672 1.00 3.88 H new ATOM 0 HD12 LEU B 56 19.013 0.876 -10.418 1.00 3.88 H new ATOM 0 HD13 LEU B 56 19.939 -0.609 -10.740 1.00 3.88 H new ATOM 0 HD21 LEU B 56 18.229 -2.427 -8.935 1.00 4.08 H new ATOM 0 HD22 LEU B 56 20.009 -2.429 -8.934 1.00 4.08 H new ATOM 0 HD23 LEU B 56 19.118 -2.158 -7.418 1.00 4.08 H new ATOM 2573 N LEU B 57 18.934 2.022 -6.122 1.00 4.29 N ATOM 2574 CA LEU B 57 17.741 2.444 -5.397 1.00 4.67 C ATOM 2575 C LEU B 57 17.516 3.945 -5.554 1.00 4.68 C ATOM 2576 O LEU B 57 16.422 4.387 -5.905 1.00 4.66 O ATOM 2577 CB LEU B 57 17.875 2.103 -3.912 1.00 5.46 C ATOM 2578 CG LEU B 57 16.839 1.121 -3.365 1.00 5.72 C ATOM 2579 CD1 LEU B 57 16.901 1.080 -1.847 1.00 6.40 C ATOM 2580 CD2 LEU B 57 15.438 1.496 -3.827 1.00 5.94 C ATOM 0 H LEU B 57 19.660 1.613 -5.534 1.00 4.29 H new ATOM 0 HA LEU B 57 16.886 1.912 -5.815 1.00 4.67 H new ATOM 0 HB2 LEU B 57 18.868 1.688 -3.741 1.00 5.46 H new ATOM 0 HB3 LEU B 57 17.812 3.027 -3.338 1.00 5.46 H new ATOM 0 HG LEU B 57 17.071 0.129 -3.753 1.00 5.72 H new ATOM 0 HD11 LEU B 57 16.158 0.377 -1.471 1.00 6.40 H new ATOM 0 HD12 LEU B 57 17.894 0.761 -1.532 1.00 6.40 H new ATOM 0 HD13 LEU B 57 16.695 2.073 -1.447 1.00 6.40 H new ATOM 0 HD21 LEU B 57 14.719 0.782 -3.425 1.00 5.94 H new ATOM 0 HD22 LEU B 57 15.193 2.497 -3.472 1.00 5.94 H new ATOM 0 HD23 LEU B 57 15.397 1.478 -4.916 1.00 5.94 H new ATOM 2592 N ARG B 58 18.566 4.716 -5.299 1.00 4.80 N ATOM 2593 CA ARG B 58 18.504 6.170 -5.400 1.00 4.96 C ATOM 2594 C ARG B 58 18.129 6.603 -6.816 1.00 4.70 C ATOM 2595 O ARG B 58 17.268 7.460 -7.007 1.00 4.35 O ATOM 2596 CB ARG B 58 19.852 6.769 -5.000 1.00 5.25 C ATOM 2597 CG ARG B 58 19.856 8.287 -4.900 1.00 5.73 C ATOM 2598 CD ARG B 58 21.189 8.789 -4.373 1.00 6.55 C ATOM 2599 NE ARG B 58 21.285 10.247 -4.391 1.00 7.05 N ATOM 2600 CZ ARG B 58 22.429 10.908 -4.555 1.00 7.71 C ATOM 2601 NH1 ARG B 58 23.571 10.244 -4.695 1.00 8.02 N ATOM 2602 NH2 ARG B 58 22.438 12.234 -4.564 1.00 8.18 N ATOM 0 H ARG B 58 19.478 4.355 -5.018 1.00 4.80 H new ATOM 0 HA ARG B 58 17.732 6.535 -4.722 1.00 4.96 H new ATOM 0 HB2 ARG B 58 20.151 6.352 -4.038 1.00 5.25 H new ATOM 0 HB3 ARG B 58 20.603 6.462 -5.728 1.00 5.25 H new ATOM 0 HG2 ARG B 58 19.661 8.721 -5.881 1.00 5.73 H new ATOM 0 HG3 ARG B 58 19.052 8.615 -4.241 1.00 5.73 H new ATOM 0 HD2 ARG B 58 21.331 8.431 -3.353 1.00 6.55 H new ATOM 0 HD3 ARG B 58 21.995 8.368 -4.973 1.00 6.55 H new ATOM 0 HE ARG B 58 20.429 10.788 -4.271 1.00 7.05 H new ATOM 0 HH11 ARG B 58 23.573 9.224 -4.677 1.00 8.02 H new ATOM 0 HH12 ARG B 58 24.445 10.754 -4.820 1.00 8.02 H new ATOM 0 HH21 ARG B 58 21.567 12.751 -4.445 1.00 8.18 H new ATOM 0 HH22 ARG B 58 23.316 12.737 -4.690 1.00 8.18 H new ATOM 2616 N ASP B 59 18.769 5.984 -7.801 1.00 5.14 N ATOM 2617 CA ASP B 59 18.518 6.295 -9.205 1.00 5.25 C ATOM 2618 C ASP B 59 17.070 5.991 -9.582 1.00 5.09 C ATOM 2619 O ASP B 59 16.406 6.796 -10.233 1.00 5.01 O ATOM 2620 CB ASP B 59 19.470 5.495 -10.094 1.00 6.03 C ATOM 2621 CG ASP B 59 19.180 5.667 -11.571 1.00 6.00 C ATOM 2622 OD1 ASP B 59 19.514 6.736 -12.130 1.00 6.07 O ATOM 2623 OD2 ASP B 59 18.641 4.727 -12.185 1.00 6.01 O ATOM 0 H ASP B 59 19.471 5.259 -7.652 1.00 5.14 H new ATOM 0 HA ASP B 59 18.693 7.360 -9.357 1.00 5.25 H new ATOM 0 HB2 ASP B 59 20.495 5.805 -9.891 1.00 6.03 H new ATOM 0 HB3 ASP B 59 19.399 4.438 -9.835 1.00 6.03 H new ATOM 2628 N SER B 60 16.585 4.831 -9.158 1.00 5.19 N ATOM 2629 CA SER B 60 15.215 4.424 -9.448 1.00 5.23 C ATOM 2630 C SER B 60 14.217 5.382 -8.795 1.00 5.38 C ATOM 2631 O SER B 60 13.179 5.705 -9.379 1.00 5.59 O ATOM 2632 CB SER B 60 14.977 2.992 -8.968 1.00 5.37 C ATOM 2633 OG SER B 60 15.934 2.108 -9.532 1.00 5.26 O ATOM 0 H SER B 60 17.119 4.155 -8.612 1.00 5.19 H new ATOM 0 HA SER B 60 15.064 4.460 -10.527 1.00 5.23 H new ATOM 0 HB2 SER B 60 15.036 2.953 -7.880 1.00 5.37 H new ATOM 0 HB3 SER B 60 13.972 2.673 -9.245 1.00 5.37 H new ATOM 0 HG SER B 60 16.765 2.153 -9.015 1.00 5.26 H new ATOM 2639 N PHE B 61 14.540 5.840 -7.590 1.00 5.36 N ATOM 2640 CA PHE B 61 13.679 6.772 -6.875 1.00 5.54 C ATOM 2641 C PHE B 61 13.600 8.097 -7.617 1.00 5.60 C ATOM 2642 O PHE B 61 12.534 8.692 -7.727 1.00 5.81 O ATOM 2643 CB PHE B 61 14.181 6.996 -5.447 1.00 5.66 C ATOM 2644 CG PHE B 61 13.772 5.909 -4.493 1.00 6.31 C ATOM 2645 CD1 PHE B 61 12.657 5.128 -4.751 1.00 6.46 C ATOM 2646 CD2 PHE B 61 14.502 5.670 -3.340 1.00 6.89 C ATOM 2647 CE1 PHE B 61 12.276 4.130 -3.877 1.00 7.15 C ATOM 2648 CE2 PHE B 61 14.124 4.672 -2.462 1.00 7.61 C ATOM 2649 CZ PHE B 61 13.011 3.900 -2.732 1.00 7.73 C ATOM 0 H PHE B 61 15.390 5.581 -7.090 1.00 5.36 H new ATOM 0 HA PHE B 61 12.681 6.337 -6.822 1.00 5.54 H new ATOM 0 HB2 PHE B 61 15.269 7.068 -5.459 1.00 5.66 H new ATOM 0 HB3 PHE B 61 13.802 7.951 -5.082 1.00 5.66 H new ATOM 0 HD1 PHE B 61 12.079 5.302 -5.647 1.00 6.46 H new ATOM 0 HD2 PHE B 61 15.375 6.269 -3.125 1.00 6.89 H new ATOM 0 HE1 PHE B 61 11.404 3.530 -4.089 1.00 7.15 H new ATOM 0 HE2 PHE B 61 14.699 4.496 -1.565 1.00 7.61 H new ATOM 0 HZ PHE B 61 12.716 3.118 -2.048 1.00 7.73 H new ATOM 2659 N GLN B 62 14.733 8.548 -8.135 1.00 5.57 N ATOM 2660 CA GLN B 62 14.776 9.795 -8.881 1.00 5.90 C ATOM 2661 C GLN B 62 13.932 9.683 -10.147 1.00 6.02 C ATOM 2662 O GLN B 62 13.228 10.621 -10.525 1.00 5.80 O ATOM 2663 CB GLN B 62 16.221 10.155 -9.242 1.00 6.31 C ATOM 2664 CG GLN B 62 17.094 10.487 -8.043 1.00 6.71 C ATOM 2665 CD GLN B 62 16.575 11.664 -7.239 1.00 6.63 C ATOM 2666 OE1 GLN B 62 15.939 12.613 -7.912 1.00 6.49 O flip ATOM 2667 NE2 GLN B 62 16.763 11.732 -6.024 1.00 6.89 N flip ATOM 0 H GLN B 62 15.631 8.071 -8.053 1.00 5.57 H new ATOM 0 HA GLN B 62 14.367 10.586 -8.253 1.00 5.90 H new ATOM 0 HB2 GLN B 62 16.668 9.321 -9.784 1.00 6.31 H new ATOM 0 HB3 GLN B 62 16.213 11.008 -9.920 1.00 6.31 H new ATOM 0 HG2 GLN B 62 17.160 9.613 -7.395 1.00 6.71 H new ATOM 0 HG3 GLN B 62 18.105 10.706 -8.386 1.00 6.71 H new ATOM 0 HE21 GLN B 62 17.257 10.981 -5.542 1.00 6.89 H new ATOM 0 HE22 GLN B 62 16.425 12.539 -5.500 1.00 6.89 H new ATOM 2676 N GLN B 63 13.992 8.520 -10.785 1.00 6.58 N ATOM 2677 CA GLN B 63 13.242 8.275 -12.009 1.00 6.98 C ATOM 2678 C GLN B 63 11.738 8.203 -11.748 1.00 7.01 C ATOM 2679 O GLN B 63 10.947 8.734 -12.528 1.00 7.34 O ATOM 2680 CB GLN B 63 13.716 6.985 -12.677 1.00 7.70 C ATOM 2681 CG GLN B 63 15.049 7.118 -13.394 1.00 7.92 C ATOM 2682 CD GLN B 63 15.352 5.918 -14.265 1.00 8.79 C ATOM 2683 OE1 GLN B 63 14.971 5.871 -15.436 1.00 9.40 O ATOM 2684 NE2 GLN B 63 16.043 4.941 -13.706 1.00 8.92 N ATOM 0 H GLN B 63 14.555 7.729 -10.472 1.00 6.58 H new ATOM 0 HA GLN B 63 13.427 9.116 -12.677 1.00 6.98 H new ATOM 0 HB2 GLN B 63 13.797 6.204 -11.921 1.00 7.70 H new ATOM 0 HB3 GLN B 63 12.961 6.659 -13.392 1.00 7.70 H new ATOM 0 HG2 GLN B 63 15.041 8.018 -14.009 1.00 7.92 H new ATOM 0 HG3 GLN B 63 15.844 7.241 -12.659 1.00 7.92 H new ATOM 0 HE21 GLN B 63 16.340 5.018 -12.733 1.00 8.92 H new ATOM 0 HE22 GLN B 63 16.280 4.109 -14.247 1.00 8.92 H new ATOM 2693 N VAL B 64 11.336 7.563 -10.650 1.00 6.75 N ATOM 2694 CA VAL B 64 9.915 7.434 -10.333 1.00 6.88 C ATOM 2695 C VAL B 64 9.300 8.793 -9.998 1.00 6.48 C ATOM 2696 O VAL B 64 8.094 8.999 -10.165 1.00 6.34 O ATOM 2697 CB VAL B 64 9.654 6.423 -9.187 1.00 7.00 C ATOM 2698 CG1 VAL B 64 9.950 7.022 -7.820 1.00 6.47 C ATOM 2699 CG2 VAL B 64 8.220 5.914 -9.248 1.00 7.57 C ATOM 0 H VAL B 64 11.965 7.131 -9.973 1.00 6.75 H new ATOM 0 HA VAL B 64 9.431 7.042 -11.227 1.00 6.88 H new ATOM 0 HB VAL B 64 10.336 5.584 -9.327 1.00 7.00 H new ATOM 0 HG11 VAL B 64 9.753 6.279 -7.047 1.00 6.47 H new ATOM 0 HG12 VAL B 64 10.996 7.325 -7.774 1.00 6.47 H new ATOM 0 HG13 VAL B 64 9.313 7.891 -7.658 1.00 6.47 H new ATOM 0 HG21 VAL B 64 8.051 5.205 -8.438 1.00 7.57 H new ATOM 0 HG22 VAL B 64 7.532 6.753 -9.146 1.00 7.57 H new ATOM 0 HG23 VAL B 64 8.050 5.419 -10.204 1.00 7.57 H new ATOM 2709 N VAL B 65 10.131 9.722 -9.535 1.00 6.45 N ATOM 2710 CA VAL B 65 9.667 11.064 -9.210 1.00 6.37 C ATOM 2711 C VAL B 65 9.293 11.792 -10.496 1.00 6.93 C ATOM 2712 O VAL B 65 8.333 12.563 -10.535 1.00 7.43 O ATOM 2713 CB VAL B 65 10.740 11.868 -8.439 1.00 6.49 C ATOM 2714 CG1 VAL B 65 10.368 13.343 -8.340 1.00 6.77 C ATOM 2715 CG2 VAL B 65 10.949 11.280 -7.050 1.00 6.40 C ATOM 0 H VAL B 65 11.127 9.569 -9.377 1.00 6.45 H new ATOM 0 HA VAL B 65 8.794 10.977 -8.563 1.00 6.37 H new ATOM 0 HB VAL B 65 11.674 11.796 -8.997 1.00 6.49 H new ATOM 0 HG11 VAL B 65 11.144 13.878 -7.792 1.00 6.77 H new ATOM 0 HG12 VAL B 65 10.276 13.763 -9.342 1.00 6.77 H new ATOM 0 HG13 VAL B 65 9.418 13.444 -7.815 1.00 6.77 H new ATOM 0 HG21 VAL B 65 11.707 11.857 -6.521 1.00 6.40 H new ATOM 0 HG22 VAL B 65 10.012 11.316 -6.495 1.00 6.40 H new ATOM 0 HG23 VAL B 65 11.278 10.245 -7.139 1.00 6.40 H new ATOM 2725 N LYS B 66 10.055 11.519 -11.551 1.00 6.93 N ATOM 2726 CA LYS B 66 9.820 12.122 -12.856 1.00 7.52 C ATOM 2727 C LYS B 66 8.544 11.556 -13.473 1.00 7.28 C ATOM 2728 O LYS B 66 7.797 12.263 -14.155 1.00 7.59 O ATOM 2729 CB LYS B 66 11.015 11.866 -13.776 1.00 8.01 C ATOM 2730 CG LYS B 66 12.328 12.390 -13.217 1.00 8.37 C ATOM 2731 CD LYS B 66 13.522 11.894 -14.016 1.00 8.79 C ATOM 2732 CE LYS B 66 13.565 12.518 -15.402 1.00 9.69 C ATOM 2733 NZ LYS B 66 14.930 12.490 -15.987 1.00 10.21 N ATOM 0 H LYS B 66 10.848 10.878 -11.525 1.00 6.93 H new ATOM 0 HA LYS B 66 9.700 13.198 -12.732 1.00 7.52 H new ATOM 0 HB2 LYS B 66 11.105 10.794 -13.953 1.00 8.01 H new ATOM 0 HB3 LYS B 66 10.827 12.334 -14.742 1.00 8.01 H new ATOM 0 HG2 LYS B 66 12.315 13.480 -13.222 1.00 8.37 H new ATOM 0 HG3 LYS B 66 12.431 12.077 -12.178 1.00 8.37 H new ATOM 0 HD2 LYS B 66 14.442 12.130 -13.481 1.00 8.79 H new ATOM 0 HD3 LYS B 66 13.475 10.809 -14.106 1.00 8.79 H new ATOM 0 HE2 LYS B 66 12.878 11.985 -16.060 1.00 9.69 H new ATOM 0 HE3 LYS B 66 13.217 13.549 -15.345 1.00 9.69 H new ATOM 0 HZ1 LYS B 66 14.912 12.925 -16.931 1.00 10.21 H new ATOM 0 HZ2 LYS B 66 15.581 13.020 -15.374 1.00 10.21 H new ATOM 0 HZ3 LYS B 66 15.254 11.505 -16.066 1.00 10.21 H new ATOM 2747 N LEU B 67 8.308 10.271 -13.230 1.00 6.76 N ATOM 2748 CA LEU B 67 7.115 9.601 -13.729 1.00 6.53 C ATOM 2749 C LEU B 67 5.887 10.204 -13.059 1.00 6.28 C ATOM 2750 O LEU B 67 4.881 10.478 -13.712 1.00 6.36 O ATOM 2751 CB LEU B 67 7.192 8.097 -13.446 1.00 6.25 C ATOM 2752 CG LEU B 67 8.431 7.389 -13.998 1.00 6.32 C ATOM 2753 CD1 LEU B 67 8.452 5.933 -13.555 1.00 5.80 C ATOM 2754 CD2 LEU B 67 8.473 7.489 -15.515 1.00 7.20 C ATOM 0 H LEU B 67 8.931 9.672 -12.688 1.00 6.76 H new ATOM 0 HA LEU B 67 7.044 9.741 -14.808 1.00 6.53 H new ATOM 0 HB2 LEU B 67 7.158 7.945 -12.367 1.00 6.25 H new ATOM 0 HB3 LEU B 67 6.305 7.620 -13.863 1.00 6.25 H new ATOM 0 HG LEU B 67 9.317 7.883 -13.599 1.00 6.32 H new ATOM 0 HD11 LEU B 67 9.340 5.443 -13.956 1.00 5.80 H new ATOM 0 HD12 LEU B 67 8.471 5.884 -12.466 1.00 5.80 H new ATOM 0 HD13 LEU B 67 7.560 5.427 -13.925 1.00 5.80 H new ATOM 0 HD21 LEU B 67 9.361 6.980 -15.889 1.00 7.20 H new ATOM 0 HD22 LEU B 67 7.583 7.021 -15.935 1.00 7.20 H new ATOM 0 HD23 LEU B 67 8.505 8.538 -15.810 1.00 7.20 H new ATOM 2766 N LYS B 68 6.008 10.405 -11.747 1.00 6.08 N ATOM 2767 CA LYS B 68 4.964 11.004 -10.913 1.00 6.00 C ATOM 2768 C LYS B 68 3.586 10.397 -11.162 1.00 5.93 C ATOM 2769 O LYS B 68 2.826 10.867 -12.014 1.00 6.24 O ATOM 2770 CB LYS B 68 4.920 12.518 -11.134 1.00 6.26 C ATOM 2771 CG LYS B 68 4.367 13.294 -9.953 1.00 6.39 C ATOM 2772 CD LYS B 68 4.506 14.788 -10.163 1.00 6.79 C ATOM 2773 CE LYS B 68 4.054 15.569 -8.944 1.00 7.05 C ATOM 2774 NZ LYS B 68 3.993 17.028 -9.211 1.00 7.58 N ATOM 0 H LYS B 68 6.847 10.153 -11.225 1.00 6.08 H new ATOM 0 HA LYS B 68 5.222 10.788 -9.876 1.00 6.00 H new ATOM 0 HB2 LYS B 68 5.927 12.873 -11.351 1.00 6.26 H new ATOM 0 HB3 LYS B 68 4.311 12.730 -12.013 1.00 6.26 H new ATOM 0 HG2 LYS B 68 3.317 13.041 -9.808 1.00 6.39 H new ATOM 0 HG3 LYS B 68 4.893 13.002 -9.044 1.00 6.39 H new ATOM 0 HD2 LYS B 68 5.545 15.029 -10.385 1.00 6.79 H new ATOM 0 HD3 LYS B 68 3.916 15.090 -11.028 1.00 6.79 H new ATOM 0 HE2 LYS B 68 3.071 15.216 -8.631 1.00 7.05 H new ATOM 0 HE3 LYS B 68 4.739 15.380 -8.117 1.00 7.05 H new ATOM 0 HZ1 LYS B 68 3.648 17.522 -8.363 1.00 7.58 H new ATOM 0 HZ2 LYS B 68 4.943 17.377 -9.452 1.00 7.58 H new ATOM 0 HZ3 LYS B 68 3.346 17.209 -10.005 1.00 7.58 H new ATOM 2788 N GLY B 69 3.264 9.360 -10.406 1.00 5.57 N ATOM 2789 CA GLY B 69 1.978 8.715 -10.552 1.00 5.53 C ATOM 2790 C GLY B 69 2.089 7.353 -11.192 1.00 5.28 C ATOM 2791 O GLY B 69 1.084 6.682 -11.420 1.00 5.43 O ATOM 0 H GLY B 69 3.871 8.954 -9.694 1.00 5.57 H new ATOM 0 HA2 GLY B 69 1.510 8.616 -9.572 1.00 5.53 H new ATOM 0 HA3 GLY B 69 1.325 9.345 -11.155 1.00 5.53 H new ATOM 2795 N GLN B 70 3.308 6.946 -11.486 1.00 4.96 N ATOM 2796 CA GLN B 70 3.548 5.652 -12.097 1.00 4.76 C ATOM 2797 C GLN B 70 4.330 4.765 -11.144 1.00 4.34 C ATOM 2798 O GLN B 70 4.897 5.249 -10.161 1.00 3.78 O ATOM 2799 CB GLN B 70 4.294 5.814 -13.422 1.00 4.98 C ATOM 2800 CG GLN B 70 3.527 5.276 -14.621 1.00 5.08 C ATOM 2801 CD GLN B 70 2.023 5.363 -14.445 1.00 5.18 C ATOM 2802 OE1 GLN B 70 1.380 4.406 -14.013 1.00 5.27 O ATOM 2803 NE2 GLN B 70 1.456 6.514 -14.764 1.00 5.43 N ATOM 0 H GLN B 70 4.150 7.494 -11.311 1.00 4.96 H new ATOM 0 HA GLN B 70 2.589 5.178 -12.306 1.00 4.76 H new ATOM 0 HB2 GLN B 70 4.508 6.871 -13.582 1.00 4.98 H new ATOM 0 HB3 GLN B 70 5.253 5.301 -13.355 1.00 4.98 H new ATOM 0 HG2 GLN B 70 3.817 5.834 -15.512 1.00 5.08 H new ATOM 0 HG3 GLN B 70 3.809 4.237 -14.790 1.00 5.08 H new ATOM 0 HE21 GLN B 70 2.026 7.282 -15.119 1.00 5.43 H new ATOM 0 HE22 GLN B 70 0.449 6.634 -14.655 1.00 5.43 H new ATOM 2812 N VAL B 71 4.361 3.473 -11.438 1.00 4.77 N ATOM 2813 CA VAL B 71 5.056 2.519 -10.592 1.00 4.57 C ATOM 2814 C VAL B 71 6.330 2.021 -11.259 1.00 4.76 C ATOM 2815 O VAL B 71 6.312 1.565 -12.402 1.00 5.54 O ATOM 2816 CB VAL B 71 4.164 1.305 -10.255 1.00 5.23 C ATOM 2817 CG1 VAL B 71 4.769 0.495 -9.118 1.00 5.54 C ATOM 2818 CG2 VAL B 71 2.754 1.752 -9.905 1.00 5.65 C ATOM 0 H VAL B 71 3.912 3.063 -12.257 1.00 4.77 H new ATOM 0 HA VAL B 71 5.308 3.044 -9.670 1.00 4.57 H new ATOM 0 HB VAL B 71 4.108 0.668 -11.138 1.00 5.23 H new ATOM 0 HG11 VAL B 71 4.126 -0.356 -8.895 1.00 5.54 H new ATOM 0 HG12 VAL B 71 5.756 0.137 -9.411 1.00 5.54 H new ATOM 0 HG13 VAL B 71 4.859 1.123 -8.232 1.00 5.54 H new ATOM 0 HG21 VAL B 71 2.143 0.880 -9.671 1.00 5.65 H new ATOM 0 HG22 VAL B 71 2.787 2.415 -9.040 1.00 5.65 H new ATOM 0 HG23 VAL B 71 2.320 2.282 -10.752 1.00 5.65 H new ATOM 2828 N LEU B 72 7.430 2.129 -10.538 1.00 4.15 N ATOM 2829 CA LEU B 72 8.718 1.675 -11.023 1.00 4.35 C ATOM 2830 C LEU B 72 9.249 0.597 -10.089 1.00 4.51 C ATOM 2831 O LEU B 72 9.710 0.888 -8.981 1.00 4.34 O ATOM 2832 CB LEU B 72 9.702 2.844 -11.117 1.00 3.90 C ATOM 2833 CG LEU B 72 11.085 2.492 -11.671 1.00 3.93 C ATOM 2834 CD1 LEU B 72 10.963 1.836 -13.037 1.00 4.31 C ATOM 2835 CD2 LEU B 72 11.957 3.735 -11.749 1.00 4.11 C ATOM 0 H LEU B 72 7.455 2.533 -9.602 1.00 4.15 H new ATOM 0 HA LEU B 72 8.602 1.259 -12.024 1.00 4.35 H new ATOM 0 HB2 LEU B 72 9.263 3.618 -11.747 1.00 3.90 H new ATOM 0 HB3 LEU B 72 9.826 3.274 -10.123 1.00 3.90 H new ATOM 0 HG LEU B 72 11.558 1.782 -10.993 1.00 3.93 H new ATOM 0 HD11 LEU B 72 11.956 1.593 -13.414 1.00 4.31 H new ATOM 0 HD12 LEU B 72 10.374 0.923 -12.951 1.00 4.31 H new ATOM 0 HD13 LEU B 72 10.470 2.521 -13.727 1.00 4.31 H new ATOM 0 HD21 LEU B 72 12.937 3.468 -12.145 1.00 4.11 H new ATOM 0 HD22 LEU B 72 11.488 4.468 -12.406 1.00 4.11 H new ATOM 0 HD23 LEU B 72 12.072 4.162 -10.753 1.00 4.11 H new ATOM 2847 N SER B 73 9.147 -0.648 -10.522 1.00 5.01 N ATOM 2848 CA SER B 73 9.602 -1.772 -9.727 1.00 5.35 C ATOM 2849 C SER B 73 11.085 -2.047 -9.957 1.00 5.09 C ATOM 2850 O SER B 73 11.499 -2.447 -11.049 1.00 5.62 O ATOM 2851 CB SER B 73 8.765 -3.011 -10.052 1.00 6.05 C ATOM 2852 OG SER B 73 8.350 -3.006 -11.409 1.00 6.35 O ATOM 0 H SER B 73 8.750 -0.905 -11.426 1.00 5.01 H new ATOM 0 HA SER B 73 9.473 -1.524 -8.673 1.00 5.35 H new ATOM 0 HB2 SER B 73 9.347 -3.910 -9.850 1.00 6.05 H new ATOM 0 HB3 SER B 73 7.891 -3.044 -9.401 1.00 6.05 H new ATOM 0 HG SER B 73 8.261 -3.929 -11.727 1.00 6.35 H new ATOM 2858 N VAL B 74 11.879 -1.814 -8.924 1.00 4.34 N ATOM 2859 CA VAL B 74 13.313 -2.038 -8.991 1.00 4.11 C ATOM 2860 C VAL B 74 13.684 -3.282 -8.185 1.00 3.81 C ATOM 2861 O VAL B 74 13.309 -3.418 -7.021 1.00 3.69 O ATOM 2862 CB VAL B 74 14.100 -0.805 -8.483 1.00 3.94 C ATOM 2863 CG1 VAL B 74 13.550 -0.298 -7.156 1.00 3.77 C ATOM 2864 CG2 VAL B 74 15.580 -1.120 -8.360 1.00 3.75 C ATOM 0 H VAL B 74 11.551 -1.467 -8.023 1.00 4.34 H new ATOM 0 HA VAL B 74 13.586 -2.196 -10.034 1.00 4.11 H new ATOM 0 HB VAL B 74 13.975 -0.012 -9.220 1.00 3.94 H new ATOM 0 HG11 VAL B 74 14.127 0.568 -6.830 1.00 3.77 H new ATOM 0 HG12 VAL B 74 12.505 -0.012 -7.280 1.00 3.77 H new ATOM 0 HG13 VAL B 74 13.624 -1.086 -6.407 1.00 3.77 H new ATOM 0 HG21 VAL B 74 16.111 -0.238 -8.002 1.00 3.75 H new ATOM 0 HG22 VAL B 74 15.720 -1.940 -7.655 1.00 3.75 H new ATOM 0 HG23 VAL B 74 15.973 -1.409 -9.335 1.00 3.75 H new ATOM 2874 N MET B 75 14.397 -4.201 -8.820 1.00 3.91 N ATOM 2875 CA MET B 75 14.804 -5.436 -8.166 1.00 3.74 C ATOM 2876 C MET B 75 16.257 -5.354 -7.709 1.00 3.48 C ATOM 2877 O MET B 75 17.180 -5.328 -8.525 1.00 3.88 O ATOM 2878 CB MET B 75 14.609 -6.625 -9.110 1.00 4.24 C ATOM 2879 CG MET B 75 14.996 -7.965 -8.506 1.00 4.67 C ATOM 2880 SD MET B 75 14.543 -9.354 -9.565 1.00 5.41 S ATOM 2881 CE MET B 75 15.352 -10.710 -8.717 1.00 5.42 C ATOM 0 H MET B 75 14.706 -4.115 -9.788 1.00 3.91 H new ATOM 0 HA MET B 75 14.177 -5.580 -7.286 1.00 3.74 H new ATOM 0 HB2 MET B 75 13.564 -6.665 -9.416 1.00 4.24 H new ATOM 0 HB3 MET B 75 15.199 -6.460 -10.011 1.00 4.24 H new ATOM 0 HG2 MET B 75 16.071 -7.983 -8.328 1.00 4.67 H new ATOM 0 HG3 MET B 75 14.510 -8.077 -7.537 1.00 4.67 H new ATOM 0 HE1 MET B 75 15.362 -11.588 -9.362 1.00 5.42 H new ATOM 0 HE2 MET B 75 16.376 -10.427 -8.472 1.00 5.42 H new ATOM 0 HE3 MET B 75 14.810 -10.940 -7.800 1.00 5.42 H new ATOM 2891 N PHE B 76 16.445 -5.296 -6.402 1.00 3.08 N ATOM 2892 CA PHE B 76 17.775 -5.223 -5.811 1.00 3.15 C ATOM 2893 C PHE B 76 17.844 -6.151 -4.608 1.00 3.14 C ATOM 2894 O PHE B 76 16.908 -6.905 -4.355 1.00 3.00 O ATOM 2895 CB PHE B 76 18.101 -3.782 -5.392 1.00 3.19 C ATOM 2896 CG PHE B 76 17.133 -3.203 -4.395 1.00 3.34 C ATOM 2897 CD1 PHE B 76 15.983 -2.566 -4.822 1.00 3.27 C ATOM 2898 CD2 PHE B 76 17.376 -3.295 -3.032 1.00 3.47 C ATOM 2899 CE1 PHE B 76 15.091 -2.034 -3.912 1.00 3.36 C ATOM 2900 CE2 PHE B 76 16.486 -2.766 -2.118 1.00 3.54 C ATOM 2901 CZ PHE B 76 15.343 -2.134 -2.558 1.00 2.78 C ATOM 0 H PHE B 76 15.686 -5.298 -5.721 1.00 3.08 H new ATOM 0 HA PHE B 76 18.512 -5.536 -6.551 1.00 3.15 H new ATOM 0 HB2 PHE B 76 19.104 -3.756 -4.967 1.00 3.19 H new ATOM 0 HB3 PHE B 76 18.114 -3.150 -6.280 1.00 3.19 H new ATOM 0 HD1 PHE B 76 15.780 -2.483 -5.879 1.00 3.27 H new ATOM 0 HD2 PHE B 76 18.272 -3.786 -2.682 1.00 3.47 H new ATOM 0 HE1 PHE B 76 14.196 -1.540 -4.259 1.00 3.36 H new ATOM 0 HE2 PHE B 76 16.685 -2.847 -1.060 1.00 3.54 H new ATOM 0 HZ PHE B 76 14.646 -1.718 -1.846 1.00 2.78 H new ATOM 2911 N ARG B 77 18.939 -6.104 -3.869 1.00 3.59 N ATOM 2912 CA ARG B 77 19.076 -6.943 -2.694 1.00 3.88 C ATOM 2913 C ARG B 77 18.901 -6.120 -1.429 1.00 4.20 C ATOM 2914 O ARG B 77 19.648 -5.174 -1.176 1.00 4.62 O ATOM 2915 CB ARG B 77 20.415 -7.675 -2.692 1.00 4.60 C ATOM 2916 CG ARG B 77 20.366 -8.986 -3.456 1.00 4.59 C ATOM 2917 CD ARG B 77 21.618 -9.816 -3.236 1.00 5.39 C ATOM 2918 NE ARG B 77 22.751 -9.326 -4.017 1.00 5.55 N ATOM 2919 CZ ARG B 77 23.976 -9.848 -3.963 1.00 6.25 C ATOM 2920 NH1 ARG B 77 24.223 -10.895 -3.184 1.00 6.80 N ATOM 2921 NH2 ARG B 77 24.954 -9.335 -4.701 1.00 6.51 N ATOM 0 H ARG B 77 19.738 -5.500 -4.060 1.00 3.59 H new ATOM 0 HA ARG B 77 18.290 -7.697 -2.722 1.00 3.88 H new ATOM 0 HB2 ARG B 77 21.177 -7.031 -3.131 1.00 4.60 H new ATOM 0 HB3 ARG B 77 20.717 -7.870 -1.663 1.00 4.60 H new ATOM 0 HG2 ARG B 77 19.492 -9.557 -3.142 1.00 4.59 H new ATOM 0 HG3 ARG B 77 20.248 -8.782 -4.520 1.00 4.59 H new ATOM 0 HD2 ARG B 77 21.877 -9.805 -2.177 1.00 5.39 H new ATOM 0 HD3 ARG B 77 21.416 -10.853 -3.504 1.00 5.39 H new ATOM 0 HE ARG B 77 22.595 -8.535 -4.642 1.00 5.55 H new ATOM 0 HH11 ARG B 77 23.474 -11.302 -2.624 1.00 6.80 H new ATOM 0 HH12 ARG B 77 25.162 -11.292 -3.145 1.00 6.80 H new ATOM 0 HH21 ARG B 77 24.769 -8.539 -5.311 1.00 6.51 H new ATOM 0 HH22 ARG B 77 25.890 -9.737 -4.657 1.00 6.51 H new ATOM 2935 N PHE B 78 17.898 -6.489 -0.652 1.00 4.21 N ATOM 2936 CA PHE B 78 17.577 -5.801 0.587 1.00 4.81 C ATOM 2937 C PHE B 78 18.080 -6.602 1.784 1.00 5.56 C ATOM 2938 O PHE B 78 18.147 -7.832 1.735 1.00 5.79 O ATOM 2939 CB PHE B 78 16.058 -5.607 0.675 1.00 4.67 C ATOM 2940 CG PHE B 78 15.622 -4.549 1.649 1.00 4.78 C ATOM 2941 CD1 PHE B 78 15.964 -3.221 1.454 1.00 5.01 C ATOM 2942 CD2 PHE B 78 14.861 -4.884 2.759 1.00 4.79 C ATOM 2943 CE1 PHE B 78 15.554 -2.247 2.344 1.00 5.19 C ATOM 2944 CE2 PHE B 78 14.449 -3.915 3.652 1.00 5.05 C ATOM 2945 CZ PHE B 78 14.797 -2.594 3.446 1.00 5.22 C ATOM 0 H PHE B 78 17.282 -7.275 -0.862 1.00 4.21 H new ATOM 0 HA PHE B 78 18.068 -4.828 0.599 1.00 4.81 H new ATOM 0 HB2 PHE B 78 15.679 -5.351 -0.314 1.00 4.67 H new ATOM 0 HB3 PHE B 78 15.599 -6.554 0.957 1.00 4.67 H new ATOM 0 HD1 PHE B 78 16.558 -2.944 0.596 1.00 5.01 H new ATOM 0 HD2 PHE B 78 14.587 -5.915 2.927 1.00 4.79 H new ATOM 0 HE1 PHE B 78 15.825 -1.215 2.178 1.00 5.19 H new ATOM 0 HE2 PHE B 78 13.855 -4.190 4.511 1.00 5.05 H new ATOM 0 HZ PHE B 78 14.478 -1.835 4.145 1.00 5.22 H new ATOM 2955 N ARG B 79 18.446 -5.900 2.845 1.00 6.05 N ATOM 2956 CA ARG B 79 18.935 -6.538 4.058 1.00 6.84 C ATOM 2957 C ARG B 79 17.778 -6.832 4.999 1.00 6.93 C ATOM 2958 O ARG B 79 17.014 -5.933 5.352 1.00 7.29 O ATOM 2959 CB ARG B 79 19.956 -5.635 4.759 1.00 7.82 C ATOM 2960 CG ARG B 79 20.467 -6.184 6.084 1.00 8.65 C ATOM 2961 CD ARG B 79 21.496 -5.254 6.713 1.00 9.63 C ATOM 2962 NE ARG B 79 21.070 -4.744 8.020 1.00 10.06 N ATOM 2963 CZ ARG B 79 21.205 -3.470 8.404 1.00 10.62 C ATOM 2964 NH1 ARG B 79 21.722 -2.577 7.571 1.00 10.80 N ATOM 2965 NH2 ARG B 79 20.822 -3.087 9.616 1.00 11.08 N ATOM 0 H ARG B 79 18.413 -4.882 2.891 1.00 6.05 H new ATOM 0 HA ARG B 79 19.419 -7.476 3.785 1.00 6.84 H new ATOM 0 HB2 ARG B 79 20.804 -5.478 4.092 1.00 7.82 H new ATOM 0 HB3 ARG B 79 19.502 -4.659 4.933 1.00 7.82 H new ATOM 0 HG2 ARG B 79 19.631 -6.320 6.770 1.00 8.65 H new ATOM 0 HG3 ARG B 79 20.912 -7.166 5.925 1.00 8.65 H new ATOM 0 HD2 ARG B 79 22.441 -5.786 6.825 1.00 9.63 H new ATOM 0 HD3 ARG B 79 21.680 -4.415 6.042 1.00 9.63 H new ATOM 0 HE ARG B 79 20.645 -5.400 8.676 1.00 10.06 H new ATOM 0 HH11 ARG B 79 22.017 -2.862 6.637 1.00 10.80 H new ATOM 0 HH12 ARG B 79 21.825 -1.606 7.864 1.00 10.80 H new ATOM 0 HH21 ARG B 79 20.421 -3.766 10.263 1.00 11.08 H new ATOM 0 HH22 ARG B 79 20.929 -2.113 9.901 1.00 11.08 H new ATOM 2979 N SER B 80 17.639 -8.087 5.389 1.00 6.76 N ATOM 2980 CA SER B 80 16.583 -8.472 6.305 1.00 7.04 C ATOM 2981 C SER B 80 17.097 -8.395 7.739 1.00 7.47 C ATOM 2982 O SER B 80 18.234 -7.979 7.972 1.00 7.38 O ATOM 2983 CB SER B 80 16.093 -9.886 5.987 1.00 6.83 C ATOM 2984 OG SER B 80 17.124 -10.839 6.181 1.00 7.21 O ATOM 0 H SER B 80 18.241 -8.853 5.087 1.00 6.76 H new ATOM 0 HA SER B 80 15.743 -7.786 6.192 1.00 7.04 H new ATOM 0 HB2 SER B 80 15.243 -10.131 6.623 1.00 6.83 H new ATOM 0 HB3 SER B 80 15.743 -9.929 4.956 1.00 6.83 H new ATOM 0 HG SER B 80 16.785 -11.735 5.973 1.00 7.21 H new ATOM 2990 N LYS B 81 16.273 -8.813 8.693 1.00 8.04 N ATOM 2991 CA LYS B 81 16.655 -8.794 10.101 1.00 8.55 C ATOM 2992 C LYS B 81 17.811 -9.763 10.355 1.00 8.41 C ATOM 2993 O LYS B 81 18.496 -9.682 11.373 1.00 8.72 O ATOM 2994 CB LYS B 81 15.449 -9.152 10.975 1.00 9.27 C ATOM 2995 CG LYS B 81 15.700 -9.025 12.470 1.00 10.06 C ATOM 2996 CD LYS B 81 15.913 -7.579 12.892 1.00 10.72 C ATOM 2997 CE LYS B 81 16.059 -7.465 14.400 1.00 11.62 C ATOM 2998 NZ LYS B 81 16.278 -6.063 14.843 1.00 12.24 N ATOM 0 H LYS B 81 15.334 -9.170 8.517 1.00 8.04 H new ATOM 0 HA LYS B 81 16.990 -7.790 10.362 1.00 8.55 H new ATOM 0 HB2 LYS B 81 14.613 -8.507 10.703 1.00 9.27 H new ATOM 0 HB3 LYS B 81 15.147 -10.176 10.755 1.00 9.27 H new ATOM 0 HG2 LYS B 81 14.853 -9.441 13.016 1.00 10.06 H new ATOM 0 HG3 LYS B 81 16.576 -9.615 12.742 1.00 10.06 H new ATOM 0 HD2 LYS B 81 16.805 -7.183 12.406 1.00 10.72 H new ATOM 0 HD3 LYS B 81 15.072 -6.972 12.558 1.00 10.72 H new ATOM 0 HE2 LYS B 81 15.163 -7.859 14.880 1.00 11.62 H new ATOM 0 HE3 LYS B 81 16.895 -8.082 14.729 1.00 11.62 H new ATOM 0 HZ1 LYS B 81 16.304 -6.027 15.882 1.00 12.24 H new ATOM 0 HZ2 LYS B 81 17.181 -5.716 14.462 1.00 12.24 H new ATOM 0 HZ3 LYS B 81 15.502 -5.464 14.495 1.00 12.24 H new ATOM 3012 N ASN B 82 18.033 -10.669 9.410 1.00 8.00 N ATOM 3013 CA ASN B 82 19.111 -11.647 9.521 1.00 7.89 C ATOM 3014 C ASN B 82 20.396 -11.093 8.921 1.00 7.36 C ATOM 3015 O ASN B 82 21.427 -11.772 8.906 1.00 7.24 O ATOM 3016 CB ASN B 82 18.741 -12.949 8.808 1.00 7.92 C ATOM 3017 CG ASN B 82 17.521 -13.624 9.399 1.00 8.51 C ATOM 3018 OD1 ASN B 82 17.238 -13.498 10.591 1.00 9.25 O ATOM 3019 ND2 ASN B 82 16.789 -14.344 8.567 1.00 8.28 N ATOM 0 H ASN B 82 17.480 -10.747 8.556 1.00 8.00 H new ATOM 0 HA ASN B 82 19.265 -11.854 10.580 1.00 7.89 H new ATOM 0 HB2 ASN B 82 18.558 -12.740 7.754 1.00 7.92 H new ATOM 0 HB3 ASN B 82 19.587 -13.635 8.855 1.00 7.92 H new ATOM 0 HD21 ASN B 82 15.954 -14.822 8.905 1.00 8.28 H new ATOM 0 HD22 ASN B 82 17.059 -14.422 7.587 1.00 8.28 H new ATOM 3026 N GLN B 83 20.314 -9.860 8.414 1.00 7.14 N ATOM 3027 CA GLN B 83 21.449 -9.167 7.793 1.00 6.77 C ATOM 3028 C GLN B 83 21.843 -9.808 6.466 1.00 6.51 C ATOM 3029 O GLN B 83 22.900 -9.504 5.913 1.00 6.48 O ATOM 3030 CB GLN B 83 22.656 -9.123 8.736 1.00 7.42 C ATOM 3031 CG GLN B 83 22.708 -7.885 9.619 1.00 7.60 C ATOM 3032 CD GLN B 83 21.412 -7.644 10.363 1.00 7.62 C ATOM 3033 OE1 GLN B 83 20.563 -6.869 9.924 1.00 7.12 O ATOM 3034 NE2 GLN B 83 21.246 -8.318 11.487 1.00 8.30 N ATOM 0 H GLN B 83 19.455 -9.311 8.422 1.00 7.14 H new ATOM 0 HA GLN B 83 21.126 -8.145 7.593 1.00 6.77 H new ATOM 0 HB2 GLN B 83 22.640 -10.009 9.371 1.00 7.42 H new ATOM 0 HB3 GLN B 83 23.569 -9.172 8.143 1.00 7.42 H new ATOM 0 HG2 GLN B 83 23.521 -7.990 10.338 1.00 7.60 H new ATOM 0 HG3 GLN B 83 22.937 -7.014 9.004 1.00 7.60 H new ATOM 0 HE21 GLN B 83 21.976 -8.951 11.815 1.00 8.30 H new ATOM 0 HE22 GLN B 83 20.388 -8.206 12.027 1.00 8.30 H new ATOM 3043 N GLU B 84 20.991 -10.681 5.951 1.00 6.48 N ATOM 3044 CA GLU B 84 21.261 -11.344 4.684 1.00 6.41 C ATOM 3045 C GLU B 84 20.693 -10.520 3.535 1.00 6.26 C ATOM 3046 O GLU B 84 19.751 -9.745 3.724 1.00 6.30 O ATOM 3047 CB GLU B 84 20.687 -12.765 4.679 1.00 6.62 C ATOM 3048 CG GLU B 84 19.192 -12.832 4.944 1.00 6.46 C ATOM 3049 CD GLU B 84 18.703 -14.253 5.142 1.00 6.60 C ATOM 3050 OE1 GLU B 84 19.163 -15.152 4.413 1.00 6.74 O ATOM 3051 OE2 GLU B 84 17.856 -14.477 6.031 1.00 6.78 O ATOM 0 H GLU B 84 20.109 -10.947 6.389 1.00 6.48 H new ATOM 0 HA GLU B 84 22.340 -11.424 4.553 1.00 6.41 H new ATOM 0 HB2 GLU B 84 20.895 -13.226 3.713 1.00 6.62 H new ATOM 0 HB3 GLU B 84 21.206 -13.357 5.433 1.00 6.62 H new ATOM 0 HG2 GLU B 84 18.956 -12.243 5.830 1.00 6.46 H new ATOM 0 HG3 GLU B 84 18.657 -12.380 4.109 1.00 6.46 H new ATOM 3058 N TRP B 85 21.269 -10.685 2.353 1.00 6.19 N ATOM 3059 CA TRP B 85 20.833 -9.938 1.184 1.00 6.19 C ATOM 3060 C TRP B 85 19.881 -10.759 0.324 1.00 6.20 C ATOM 3061 O TRP B 85 20.294 -11.713 -0.342 1.00 6.38 O ATOM 3062 CB TRP B 85 22.036 -9.501 0.345 1.00 6.55 C ATOM 3063 CG TRP B 85 23.116 -8.828 1.135 1.00 6.95 C ATOM 3064 CD1 TRP B 85 24.353 -9.331 1.425 1.00 7.63 C ATOM 3065 CD2 TRP B 85 23.064 -7.528 1.738 1.00 6.78 C ATOM 3066 NE1 TRP B 85 25.070 -8.425 2.162 1.00 7.89 N ATOM 3067 CE2 TRP B 85 24.303 -7.313 2.371 1.00 7.40 C ATOM 3068 CE3 TRP B 85 22.093 -6.524 1.805 1.00 6.23 C ATOM 3069 CZ2 TRP B 85 24.597 -6.143 3.058 1.00 7.53 C ATOM 3070 CZ3 TRP B 85 22.389 -5.361 2.490 1.00 6.39 C ATOM 3071 CH2 TRP B 85 23.632 -5.179 3.108 1.00 7.05 C ATOM 0 H TRP B 85 22.040 -11.330 2.179 1.00 6.19 H new ATOM 0 HA TRP B 85 20.302 -9.055 1.540 1.00 6.19 H new ATOM 0 HB2 TRP B 85 22.455 -10.375 -0.154 1.00 6.55 H new ATOM 0 HB3 TRP B 85 21.694 -8.822 -0.436 1.00 6.55 H new ATOM 0 HD1 TRP B 85 24.713 -10.302 1.118 1.00 7.63 H new ATOM 0 HE1 TRP B 85 26.023 -8.559 2.500 1.00 7.89 H new ATOM 0 HE3 TRP B 85 21.131 -6.655 1.331 1.00 6.23 H new ATOM 0 HZ2 TRP B 85 25.555 -6.001 3.536 1.00 7.53 H new ATOM 0 HZ3 TRP B 85 21.648 -4.578 2.550 1.00 6.39 H new ATOM 0 HH2 TRP B 85 23.831 -4.257 3.635 1.00 7.05 H new ATOM 3082 N LEU B 86 18.613 -10.382 0.338 1.00 6.05 N ATOM 3083 CA LEU B 86 17.602 -11.072 -0.451 1.00 6.08 C ATOM 3084 C LEU B 86 17.144 -10.190 -1.605 1.00 5.83 C ATOM 3085 O LEU B 86 17.111 -8.966 -1.483 1.00 5.96 O ATOM 3086 CB LEU B 86 16.411 -11.469 0.426 1.00 6.32 C ATOM 3087 CG LEU B 86 15.878 -10.378 1.362 1.00 6.76 C ATOM 3088 CD1 LEU B 86 14.778 -9.573 0.690 1.00 6.60 C ATOM 3089 CD2 LEU B 86 15.364 -10.996 2.649 1.00 6.97 C ATOM 0 H LEU B 86 18.257 -9.600 0.888 1.00 6.05 H new ATOM 0 HA LEU B 86 18.042 -11.981 -0.860 1.00 6.08 H new ATOM 0 HB2 LEU B 86 15.598 -11.793 -0.224 1.00 6.32 H new ATOM 0 HB3 LEU B 86 16.699 -12.330 1.029 1.00 6.32 H new ATOM 0 HG LEU B 86 16.699 -9.701 1.597 1.00 6.76 H new ATOM 0 HD11 LEU B 86 14.418 -8.806 1.376 1.00 6.60 H new ATOM 0 HD12 LEU B 86 15.171 -9.100 -0.210 1.00 6.60 H new ATOM 0 HD13 LEU B 86 13.955 -10.235 0.421 1.00 6.60 H new ATOM 0 HD21 LEU B 86 14.988 -10.211 3.305 1.00 6.97 H new ATOM 0 HD22 LEU B 86 14.559 -11.694 2.421 1.00 6.97 H new ATOM 0 HD23 LEU B 86 16.175 -11.527 3.147 1.00 6.97 H new ATOM 3101 N TRP B 87 16.793 -10.806 -2.721 1.00 5.64 N ATOM 3102 CA TRP B 87 16.342 -10.063 -3.888 1.00 5.53 C ATOM 3103 C TRP B 87 14.901 -9.614 -3.701 1.00 4.89 C ATOM 3104 O TRP B 87 13.991 -10.435 -3.557 1.00 4.93 O ATOM 3105 CB TRP B 87 16.482 -10.906 -5.156 1.00 6.09 C ATOM 3106 CG TRP B 87 17.907 -11.123 -5.562 1.00 6.88 C ATOM 3107 CD1 TRP B 87 18.743 -12.115 -5.135 1.00 7.60 C ATOM 3108 CD2 TRP B 87 18.668 -10.324 -6.475 1.00 7.12 C ATOM 3109 NE1 TRP B 87 19.976 -11.979 -5.724 1.00 8.31 N ATOM 3110 CE2 TRP B 87 19.955 -10.889 -6.554 1.00 8.03 C ATOM 3111 CE3 TRP B 87 18.385 -9.185 -7.235 1.00 6.72 C ATOM 3112 CZ2 TRP B 87 20.955 -10.354 -7.360 1.00 8.55 C ATOM 3113 CZ3 TRP B 87 19.378 -8.656 -8.035 1.00 7.21 C ATOM 3114 CH2 TRP B 87 20.650 -9.241 -8.094 1.00 8.12 C ATOM 0 H TRP B 87 16.811 -11.818 -2.845 1.00 5.64 H new ATOM 0 HA TRP B 87 16.971 -9.180 -3.998 1.00 5.53 H new ATOM 0 HB2 TRP B 87 16.004 -11.873 -4.997 1.00 6.09 H new ATOM 0 HB3 TRP B 87 15.949 -10.417 -5.971 1.00 6.09 H new ATOM 0 HD1 TRP B 87 18.474 -12.893 -4.436 1.00 7.60 H new ATOM 0 HE1 TRP B 87 20.778 -12.590 -5.569 1.00 8.31 H new ATOM 0 HE3 TRP B 87 17.407 -8.727 -7.197 1.00 6.72 H new ATOM 0 HZ2 TRP B 87 21.937 -10.802 -7.404 1.00 8.55 H new ATOM 0 HZ3 TRP B 87 19.171 -7.776 -8.626 1.00 7.21 H new ATOM 0 HH2 TRP B 87 21.404 -8.804 -8.732 1.00 8.12 H new ATOM 3125 N MET B 88 14.705 -8.308 -3.708 1.00 4.38 N ATOM 3126 CA MET B 88 13.390 -7.727 -3.509 1.00 3.86 C ATOM 3127 C MET B 88 13.000 -6.826 -4.675 1.00 4.20 C ATOM 3128 O MET B 88 13.806 -6.028 -5.156 1.00 4.46 O ATOM 3129 CB MET B 88 13.376 -6.920 -2.207 1.00 3.90 C ATOM 3130 CG MET B 88 12.038 -6.267 -1.903 1.00 3.23 C ATOM 3131 SD MET B 88 11.087 -7.172 -0.670 1.00 2.82 S ATOM 3132 CE MET B 88 12.074 -6.870 0.792 1.00 3.18 C ATOM 0 H MET B 88 15.448 -7.624 -3.851 1.00 4.38 H new ATOM 0 HA MET B 88 12.665 -8.539 -3.450 1.00 3.86 H new ATOM 0 HB2 MET B 88 13.645 -7.578 -1.380 1.00 3.90 H new ATOM 0 HB3 MET B 88 14.143 -6.147 -2.262 1.00 3.90 H new ATOM 0 HG2 MET B 88 12.207 -5.249 -1.551 1.00 3.23 H new ATOM 0 HG3 MET B 88 11.457 -6.194 -2.822 1.00 3.23 H new ATOM 0 HE1 MET B 88 12.333 -7.820 1.259 1.00 3.18 H new ATOM 0 HE2 MET B 88 12.986 -6.342 0.513 1.00 3.18 H new ATOM 0 HE3 MET B 88 11.505 -6.263 1.496 1.00 3.18 H new ATOM 3142 N ARG B 89 11.767 -6.976 -5.130 1.00 4.41 N ATOM 3143 CA ARG B 89 11.240 -6.163 -6.210 1.00 5.04 C ATOM 3144 C ARG B 89 10.459 -5.003 -5.609 1.00 5.07 C ATOM 3145 O ARG B 89 9.259 -5.115 -5.342 1.00 5.15 O ATOM 3146 CB ARG B 89 10.334 -6.998 -7.122 1.00 5.18 C ATOM 3147 CG ARG B 89 9.776 -6.224 -8.307 1.00 5.63 C ATOM 3148 CD ARG B 89 8.569 -6.922 -8.912 1.00 5.93 C ATOM 3149 NE ARG B 89 7.416 -6.918 -8.008 1.00 5.96 N ATOM 3150 CZ ARG B 89 6.188 -7.301 -8.366 1.00 6.42 C ATOM 3151 NH1 ARG B 89 5.950 -7.726 -9.604 1.00 6.87 N ATOM 3152 NH2 ARG B 89 5.199 -7.261 -7.480 1.00 6.59 N ATOM 0 H ARG B 89 11.107 -7.662 -4.762 1.00 4.41 H new ATOM 0 HA ARG B 89 12.063 -5.782 -6.815 1.00 5.04 H new ATOM 0 HB2 ARG B 89 10.897 -7.855 -7.492 1.00 5.18 H new ATOM 0 HB3 ARG B 89 9.505 -7.391 -6.534 1.00 5.18 H new ATOM 0 HG2 ARG B 89 9.495 -5.221 -7.987 1.00 5.63 H new ATOM 0 HG3 ARG B 89 10.550 -6.111 -9.066 1.00 5.63 H new ATOM 0 HD2 ARG B 89 8.298 -6.430 -9.846 1.00 5.93 H new ATOM 0 HD3 ARG B 89 8.832 -7.951 -9.158 1.00 5.93 H new ATOM 0 HE ARG B 89 7.560 -6.604 -7.048 1.00 5.96 H new ATOM 0 HH11 ARG B 89 6.708 -7.761 -10.286 1.00 6.87 H new ATOM 0 HH12 ARG B 89 5.010 -8.017 -9.871 1.00 6.87 H new ATOM 0 HH21 ARG B 89 5.379 -6.938 -6.529 1.00 6.59 H new ATOM 0 HH22 ARG B 89 4.260 -7.553 -7.751 1.00 6.59 H new ATOM 3166 N THR B 90 11.153 -3.910 -5.360 1.00 5.17 N ATOM 3167 CA THR B 90 10.544 -2.734 -4.775 1.00 5.29 C ATOM 3168 C THR B 90 9.760 -1.944 -5.819 1.00 5.66 C ATOM 3169 O THR B 90 10.336 -1.262 -6.667 1.00 6.18 O ATOM 3170 CB THR B 90 11.618 -1.845 -4.116 1.00 5.07 C ATOM 3171 OG1 THR B 90 12.149 -2.520 -2.970 1.00 5.02 O ATOM 3172 CG2 THR B 90 11.052 -0.497 -3.696 1.00 4.69 C ATOM 0 H THR B 90 12.149 -3.813 -5.556 1.00 5.17 H new ATOM 0 HA THR B 90 9.843 -3.062 -4.007 1.00 5.29 H new ATOM 0 HB THR B 90 12.405 -1.663 -4.848 1.00 5.07 H new ATOM 0 HG1 THR B 90 11.505 -2.469 -2.233 1.00 5.02 H new ATOM 0 HG21 THR B 90 11.839 0.101 -3.236 1.00 4.69 H new ATOM 0 HG22 THR B 90 10.666 0.024 -4.572 1.00 4.69 H new ATOM 0 HG23 THR B 90 10.245 -0.649 -2.979 1.00 4.69 H new ATOM 3180 N SER B 91 8.444 -2.065 -5.766 1.00 5.49 N ATOM 3181 CA SER B 91 7.574 -1.362 -6.693 1.00 5.86 C ATOM 3182 C SER B 91 7.288 0.040 -6.167 1.00 5.46 C ATOM 3183 O SER B 91 6.348 0.251 -5.401 1.00 4.98 O ATOM 3184 CB SER B 91 6.277 -2.150 -6.879 1.00 6.04 C ATOM 3185 OG SER B 91 6.540 -3.546 -6.937 1.00 6.30 O ATOM 0 H SER B 91 7.953 -2.647 -5.087 1.00 5.49 H new ATOM 0 HA SER B 91 8.065 -1.272 -7.662 1.00 5.86 H new ATOM 0 HB2 SER B 91 5.595 -1.937 -6.055 1.00 6.04 H new ATOM 0 HB3 SER B 91 5.780 -1.830 -7.795 1.00 6.04 H new ATOM 0 HG SER B 91 6.706 -3.885 -6.033 1.00 6.30 H new ATOM 3191 N SER B 92 8.122 0.987 -6.567 1.00 5.80 N ATOM 3192 CA SER B 92 7.994 2.367 -6.126 1.00 5.57 C ATOM 3193 C SER B 92 6.894 3.098 -6.885 1.00 5.56 C ATOM 3194 O SER B 92 6.920 3.175 -8.108 1.00 5.52 O ATOM 3195 CB SER B 92 9.330 3.086 -6.310 1.00 6.27 C ATOM 3196 OG SER B 92 10.391 2.309 -5.776 1.00 6.65 O ATOM 0 H SER B 92 8.902 0.822 -7.203 1.00 5.80 H new ATOM 0 HA SER B 92 7.719 2.365 -5.071 1.00 5.57 H new ATOM 0 HB2 SER B 92 9.506 3.273 -7.369 1.00 6.27 H new ATOM 0 HB3 SER B 92 9.298 4.057 -5.816 1.00 6.27 H new ATOM 0 HG SER B 92 10.231 2.147 -4.823 1.00 6.65 H new ATOM 3202 N PHE B 93 5.927 3.619 -6.149 1.00 5.71 N ATOM 3203 CA PHE B 93 4.822 4.353 -6.738 1.00 5.89 C ATOM 3204 C PHE B 93 4.761 5.762 -6.158 1.00 6.45 C ATOM 3205 O PHE B 93 4.652 5.939 -4.941 1.00 6.45 O ATOM 3206 CB PHE B 93 3.504 3.613 -6.481 1.00 5.69 C ATOM 3207 CG PHE B 93 2.272 4.419 -6.791 1.00 5.63 C ATOM 3208 CD1 PHE B 93 1.929 4.717 -8.100 1.00 5.74 C ATOM 3209 CD2 PHE B 93 1.458 4.877 -5.768 1.00 5.63 C ATOM 3210 CE1 PHE B 93 0.797 5.454 -8.383 1.00 5.78 C ATOM 3211 CE2 PHE B 93 0.323 5.615 -6.045 1.00 5.68 C ATOM 3212 CZ PHE B 93 -0.007 5.906 -7.354 1.00 5.73 C ATOM 0 H PHE B 93 5.886 3.545 -5.132 1.00 5.71 H new ATOM 0 HA PHE B 93 4.978 4.426 -7.814 1.00 5.89 H new ATOM 0 HB2 PHE B 93 3.489 2.703 -7.080 1.00 5.69 H new ATOM 0 HB3 PHE B 93 3.470 3.307 -5.435 1.00 5.69 H new ATOM 0 HD1 PHE B 93 2.555 4.368 -8.908 1.00 5.74 H new ATOM 0 HD2 PHE B 93 1.713 4.655 -4.742 1.00 5.63 H new ATOM 0 HE1 PHE B 93 0.540 5.677 -9.408 1.00 5.78 H new ATOM 0 HE2 PHE B 93 -0.305 5.964 -5.239 1.00 5.68 H new ATOM 0 HZ PHE B 93 -0.892 6.486 -7.573 1.00 5.73 H new ATOM 3222 N THR B 94 4.850 6.760 -7.023 1.00 7.02 N ATOM 3223 CA THR B 94 4.793 8.145 -6.590 1.00 7.65 C ATOM 3224 C THR B 94 3.346 8.584 -6.404 1.00 7.67 C ATOM 3225 O THR B 94 2.598 8.713 -7.375 1.00 8.38 O ATOM 3226 CB THR B 94 5.483 9.073 -7.607 1.00 8.72 C ATOM 3227 OG1 THR B 94 5.583 8.418 -8.884 1.00 8.98 O ATOM 3228 CG2 THR B 94 6.869 9.470 -7.122 1.00 9.17 C ATOM 0 H THR B 94 4.962 6.636 -8.029 1.00 7.02 H new ATOM 0 HA THR B 94 5.319 8.217 -5.638 1.00 7.65 H new ATOM 0 HB THR B 94 4.880 9.975 -7.711 1.00 8.72 H new ATOM 0 HG1 THR B 94 6.439 8.648 -9.303 1.00 8.98 H new ATOM 0 HG21 THR B 94 7.338 10.125 -7.856 1.00 9.17 H new ATOM 0 HG22 THR B 94 6.785 9.993 -6.170 1.00 9.17 H new ATOM 0 HG23 THR B 94 7.479 8.576 -6.992 1.00 9.17 H new ATOM 3236 N PHE B 95 2.947 8.798 -5.159 1.00 7.03 N ATOM 3237 CA PHE B 95 1.584 9.210 -4.870 1.00 7.23 C ATOM 3238 C PHE B 95 1.399 10.690 -5.168 1.00 7.66 C ATOM 3239 O PHE B 95 2.159 11.536 -4.692 1.00 7.94 O ATOM 3240 CB PHE B 95 1.217 8.910 -3.416 1.00 6.55 C ATOM 3241 CG PHE B 95 -0.027 8.078 -3.283 1.00 6.95 C ATOM 3242 CD1 PHE B 95 -1.152 8.362 -4.040 1.00 7.38 C ATOM 3243 CD2 PHE B 95 -0.069 7.009 -2.406 1.00 6.97 C ATOM 3244 CE1 PHE B 95 -2.294 7.595 -3.923 1.00 7.77 C ATOM 3245 CE2 PHE B 95 -1.210 6.239 -2.284 1.00 7.38 C ATOM 3246 CZ PHE B 95 -2.324 6.531 -3.043 1.00 8.33 C ATOM 0 H PHE B 95 3.544 8.694 -4.339 1.00 7.03 H new ATOM 0 HA PHE B 95 0.916 8.638 -5.514 1.00 7.23 H new ATOM 0 HB2 PHE B 95 2.047 8.391 -2.937 1.00 6.55 H new ATOM 0 HB3 PHE B 95 1.078 9.849 -2.881 1.00 6.55 H new ATOM 0 HD1 PHE B 95 -1.135 9.193 -4.730 1.00 7.38 H new ATOM 0 HD2 PHE B 95 0.800 6.773 -1.810 1.00 6.97 H new ATOM 0 HE1 PHE B 95 -3.164 7.827 -4.520 1.00 7.77 H new ATOM 0 HE2 PHE B 95 -1.229 5.408 -1.594 1.00 7.38 H new ATOM 0 HZ PHE B 95 -3.216 5.930 -2.950 1.00 8.33 H new ATOM 3256 N GLN B 96 0.396 10.988 -5.976 1.00 7.77 N ATOM 3257 CA GLN B 96 0.095 12.355 -6.355 1.00 8.24 C ATOM 3258 C GLN B 96 -0.998 12.925 -5.464 1.00 8.05 C ATOM 3259 O GLN B 96 -2.108 12.392 -5.413 1.00 8.10 O ATOM 3260 CB GLN B 96 -0.356 12.414 -7.815 1.00 8.94 C ATOM 3261 CG GLN B 96 0.771 12.245 -8.821 1.00 9.25 C ATOM 3262 CD GLN B 96 0.270 12.229 -10.253 1.00 9.90 C ATOM 3263 OE1 GLN B 96 -0.003 11.169 -10.819 1.00 9.95 O ATOM 3264 NE2 GLN B 96 0.130 13.403 -10.846 1.00 10.53 N ATOM 0 H GLN B 96 -0.228 10.293 -6.385 1.00 7.77 H new ATOM 0 HA GLN B 96 1.000 12.950 -6.234 1.00 8.24 H new ATOM 0 HB2 GLN B 96 -1.100 11.636 -7.986 1.00 8.94 H new ATOM 0 HB3 GLN B 96 -0.848 13.370 -7.994 1.00 8.94 H new ATOM 0 HG2 GLN B 96 1.488 13.057 -8.699 1.00 9.25 H new ATOM 0 HG3 GLN B 96 1.303 11.316 -8.614 1.00 9.25 H new ATOM 0 HE21 GLN B 96 0.367 14.259 -10.344 1.00 10.53 H new ATOM 0 HE22 GLN B 96 -0.215 13.452 -11.805 1.00 10.53 H new ATOM 3273 N ASN B 97 -0.671 13.985 -4.745 1.00 7.96 N ATOM 3274 CA ASN B 97 -1.634 14.643 -3.875 1.00 7.92 C ATOM 3275 C ASN B 97 -2.703 15.318 -4.730 1.00 8.14 C ATOM 3276 O ASN B 97 -2.382 16.107 -5.622 1.00 8.43 O ATOM 3277 CB ASN B 97 -0.933 15.673 -2.988 1.00 7.98 C ATOM 3278 CG ASN B 97 -1.724 16.028 -1.743 1.00 8.09 C ATOM 3279 OD1 ASN B 97 -2.358 15.173 -1.123 1.00 8.16 O ATOM 3280 ND2 ASN B 97 -1.701 17.300 -1.376 1.00 8.31 N ATOM 0 H ASN B 97 0.256 14.410 -4.746 1.00 7.96 H new ATOM 0 HA ASN B 97 -2.103 13.901 -3.229 1.00 7.92 H new ATOM 0 HB2 ASN B 97 0.042 15.285 -2.693 1.00 7.98 H new ATOM 0 HB3 ASN B 97 -0.753 16.579 -3.567 1.00 7.98 H new ATOM 0 HD21 ASN B 97 -2.221 17.603 -0.552 1.00 8.31 H new ATOM 0 HD22 ASN B 97 -1.163 17.977 -1.917 1.00 8.31 H new ATOM 3287 N PRO B 98 -3.985 15.016 -4.474 1.00 8.11 N ATOM 3288 CA PRO B 98 -5.111 15.573 -5.242 1.00 8.36 C ATOM 3289 C PRO B 98 -5.360 17.063 -4.994 1.00 8.56 C ATOM 3290 O PRO B 98 -6.318 17.628 -5.517 1.00 9.16 O ATOM 3291 CB PRO B 98 -6.305 14.753 -4.752 1.00 8.39 C ATOM 3292 CG PRO B 98 -5.927 14.313 -3.381 1.00 8.29 C ATOM 3293 CD PRO B 98 -4.443 14.093 -3.417 1.00 7.99 C ATOM 0 HA PRO B 98 -4.920 15.510 -6.313 1.00 8.36 H new ATOM 0 HB2 PRO B 98 -7.216 15.351 -4.738 1.00 8.39 H new ATOM 0 HB3 PRO B 98 -6.493 13.900 -5.404 1.00 8.39 H new ATOM 0 HG2 PRO B 98 -6.193 15.068 -2.641 1.00 8.29 H new ATOM 0 HG3 PRO B 98 -6.451 13.398 -3.105 1.00 8.29 H new ATOM 0 HD2 PRO B 98 -3.980 14.320 -2.457 1.00 7.99 H new ATOM 0 HD3 PRO B 98 -4.196 13.058 -3.653 1.00 7.99 H new ATOM 3301 N TYR B 99 -4.500 17.695 -4.208 1.00 8.20 N ATOM 3302 CA TYR B 99 -4.649 19.111 -3.903 1.00 8.49 C ATOM 3303 C TYR B 99 -3.989 19.984 -4.966 1.00 8.25 C ATOM 3304 O TYR B 99 -4.669 20.648 -5.749 1.00 8.70 O ATOM 3305 CB TYR B 99 -4.062 19.424 -2.528 1.00 8.61 C ATOM 3306 CG TYR B 99 -4.940 18.980 -1.380 1.00 9.49 C ATOM 3307 CD1 TYR B 99 -4.844 17.697 -0.856 1.00 9.80 C ATOM 3308 CD2 TYR B 99 -5.870 19.846 -0.825 1.00 9.79 C ATOM 3309 CE1 TYR B 99 -5.646 17.292 0.195 1.00 10.36 C ATOM 3310 CE2 TYR B 99 -6.674 19.451 0.225 1.00 10.35 C ATOM 3311 CZ TYR B 99 -6.562 18.174 0.731 1.00 10.60 C ATOM 3312 OH TYR B 99 -7.368 17.782 1.777 1.00 11.34 O ATOM 0 H TYR B 99 -3.693 17.251 -3.770 1.00 8.20 H new ATOM 0 HA TYR B 99 -5.715 19.338 -3.896 1.00 8.49 H new ATOM 0 HB2 TYR B 99 -3.089 18.940 -2.439 1.00 8.61 H new ATOM 0 HB3 TYR B 99 -3.892 20.498 -2.450 1.00 8.61 H new ATOM 0 HD1 TYR B 99 -4.131 17.004 -1.277 1.00 9.80 H new ATOM 0 HD2 TYR B 99 -5.967 20.846 -1.221 1.00 9.79 H new ATOM 0 HE1 TYR B 99 -5.556 16.292 0.594 1.00 10.36 H new ATOM 0 HE2 TYR B 99 -7.389 20.141 0.649 1.00 10.35 H new ATOM 0 HH TYR B 99 -7.954 18.524 2.034 1.00 11.34 H new ATOM 3322 N SER B 100 -2.665 19.977 -5.001 1.00 7.67 N ATOM 3323 CA SER B 100 -1.928 20.780 -5.966 1.00 7.55 C ATOM 3324 C SER B 100 -0.887 19.938 -6.698 1.00 7.32 C ATOM 3325 O SER B 100 0.129 20.460 -7.160 1.00 7.75 O ATOM 3326 CB SER B 100 -1.246 21.953 -5.258 1.00 7.45 C ATOM 3327 OG SER B 100 -1.831 22.191 -3.984 1.00 7.36 O ATOM 0 H SER B 100 -2.079 19.425 -4.374 1.00 7.67 H new ATOM 0 HA SER B 100 -2.636 21.164 -6.701 1.00 7.55 H new ATOM 0 HB2 SER B 100 -0.183 21.743 -5.140 1.00 7.45 H new ATOM 0 HB3 SER B 100 -1.327 22.850 -5.872 1.00 7.45 H new ATOM 0 HG SER B 100 -1.326 21.709 -3.297 1.00 7.36 H new ATOM 3333 N ASP B 101 -1.154 18.638 -6.801 1.00 6.80 N ATOM 3334 CA ASP B 101 -0.249 17.702 -7.470 1.00 6.71 C ATOM 3335 C ASP B 101 1.109 17.691 -6.772 1.00 6.51 C ATOM 3336 O ASP B 101 2.159 17.842 -7.400 1.00 6.46 O ATOM 3337 CB ASP B 101 -0.091 18.051 -8.962 1.00 7.30 C ATOM 3338 CG ASP B 101 0.640 16.975 -9.744 1.00 8.84 C ATOM 3339 OD1 ASP B 101 0.220 15.802 -9.688 1.00 8.97 O ATOM 3340 OD2 ASP B 101 1.645 17.297 -10.421 1.00 9.08 O ATOM 0 H ASP B 101 -1.998 18.204 -6.426 1.00 6.80 H new ATOM 0 HA ASP B 101 -0.683 16.704 -7.407 1.00 6.71 H new ATOM 0 HB2 ASP B 101 -1.077 18.206 -9.400 1.00 7.30 H new ATOM 0 HB3 ASP B 101 0.451 18.992 -9.055 1.00 7.30 H new ATOM 3345 N GLU B 102 1.081 17.551 -5.455 1.00 6.62 N ATOM 3346 CA GLU B 102 2.305 17.515 -4.671 1.00 6.76 C ATOM 3347 C GLU B 102 2.695 16.074 -4.375 1.00 6.49 C ATOM 3348 O GLU B 102 1.846 15.182 -4.361 1.00 6.08 O ATOM 3349 CB GLU B 102 2.135 18.284 -3.355 1.00 6.92 C ATOM 3350 CG GLU B 102 1.449 19.631 -3.512 1.00 7.00 C ATOM 3351 CD GLU B 102 -0.003 19.598 -3.088 1.00 7.52 C ATOM 3352 OE1 GLU B 102 -0.752 18.725 -3.570 1.00 7.71 O ATOM 3353 OE2 GLU B 102 -0.409 20.456 -2.280 1.00 7.71 O ATOM 0 H GLU B 102 0.225 17.461 -4.908 1.00 6.62 H new ATOM 0 HA GLU B 102 3.094 17.992 -5.253 1.00 6.76 H new ATOM 0 HB2 GLU B 102 1.559 17.673 -2.660 1.00 6.92 H new ATOM 0 HB3 GLU B 102 3.116 18.437 -2.906 1.00 6.92 H new ATOM 0 HG2 GLU B 102 1.980 20.376 -2.919 1.00 7.00 H new ATOM 0 HG3 GLU B 102 1.512 19.948 -4.553 1.00 7.00 H new ATOM 3360 N ILE B 103 3.979 15.843 -4.164 1.00 6.89 N ATOM 3361 CA ILE B 103 4.465 14.509 -3.848 1.00 6.86 C ATOM 3362 C ILE B 103 4.590 14.358 -2.339 1.00 6.92 C ATOM 3363 O ILE B 103 5.584 14.778 -1.741 1.00 6.97 O ATOM 3364 CB ILE B 103 5.828 14.212 -4.513 1.00 7.13 C ATOM 3365 CG1 ILE B 103 5.769 14.518 -6.011 1.00 7.47 C ATOM 3366 CG2 ILE B 103 6.224 12.758 -4.284 1.00 6.71 C ATOM 3367 CD1 ILE B 103 7.087 14.320 -6.730 1.00 8.04 C ATOM 0 H ILE B 103 4.704 16.560 -4.205 1.00 6.89 H new ATOM 0 HA ILE B 103 3.744 13.793 -4.242 1.00 6.86 H new ATOM 0 HB ILE B 103 6.583 14.854 -4.058 1.00 7.13 H new ATOM 0 HG12 ILE B 103 5.015 13.880 -6.473 1.00 7.47 H new ATOM 0 HG13 ILE B 103 5.442 15.549 -6.149 1.00 7.47 H new ATOM 0 HG21 ILE B 103 7.186 12.564 -4.758 1.00 6.71 H new ATOM 0 HG22 ILE B 103 6.302 12.566 -3.214 1.00 6.71 H new ATOM 0 HG23 ILE B 103 5.468 12.103 -4.716 1.00 6.71 H new ATOM 0 HD11 ILE B 103 6.964 14.557 -7.787 1.00 8.04 H new ATOM 0 HD12 ILE B 103 7.840 14.977 -6.296 1.00 8.04 H new ATOM 0 HD13 ILE B 103 7.406 13.283 -6.625 1.00 8.04 H new ATOM 3379 N GLU B 104 3.563 13.786 -1.725 1.00 7.07 N ATOM 3380 CA GLU B 104 3.549 13.586 -0.283 1.00 7.39 C ATOM 3381 C GLU B 104 4.591 12.552 0.131 1.00 7.24 C ATOM 3382 O GLU B 104 5.365 12.779 1.063 1.00 7.56 O ATOM 3383 CB GLU B 104 2.156 13.159 0.196 1.00 7.11 C ATOM 3384 CG GLU B 104 1.423 12.241 -0.770 1.00 7.06 C ATOM 3385 CD GLU B 104 0.238 11.538 -0.133 1.00 8.47 C ATOM 3386 OE1 GLU B 104 -0.353 12.084 0.825 1.00 8.81 O ATOM 3387 OE2 GLU B 104 -0.104 10.427 -0.582 1.00 8.35 O ATOM 0 H GLU B 104 2.727 13.452 -2.205 1.00 7.07 H new ATOM 0 HA GLU B 104 3.799 14.536 0.189 1.00 7.39 H new ATOM 0 HB2 GLU B 104 2.253 12.655 1.157 1.00 7.11 H new ATOM 0 HB3 GLU B 104 1.552 14.051 0.363 1.00 7.11 H new ATOM 0 HG2 GLU B 104 1.077 12.823 -1.625 1.00 7.06 H new ATOM 0 HG3 GLU B 104 2.119 11.495 -1.153 1.00 7.06 H new ATOM 3394 N TYR B 105 4.612 11.426 -0.565 1.00 6.81 N ATOM 3395 CA TYR B 105 5.561 10.360 -0.279 1.00 6.65 C ATOM 3396 C TYR B 105 5.559 9.331 -1.403 1.00 5.83 C ATOM 3397 O TYR B 105 4.796 9.449 -2.365 1.00 5.31 O ATOM 3398 CB TYR B 105 5.252 9.682 1.068 1.00 7.23 C ATOM 3399 CG TYR B 105 3.806 9.268 1.242 1.00 7.06 C ATOM 3400 CD1 TYR B 105 3.274 8.201 0.532 1.00 6.65 C ATOM 3401 CD2 TYR B 105 2.978 9.944 2.125 1.00 7.40 C ATOM 3402 CE1 TYR B 105 1.955 7.826 0.691 1.00 6.52 C ATOM 3403 CE2 TYR B 105 1.660 9.574 2.292 1.00 7.32 C ATOM 3404 CZ TYR B 105 1.154 8.513 1.574 1.00 6.94 C ATOM 3405 OH TYR B 105 -0.162 8.141 1.735 1.00 6.84 O ATOM 0 H TYR B 105 3.977 11.226 -1.338 1.00 6.81 H new ATOM 0 HA TYR B 105 6.553 10.805 -0.210 1.00 6.65 H new ATOM 0 HB2 TYR B 105 5.885 8.800 1.171 1.00 7.23 H new ATOM 0 HB3 TYR B 105 5.522 10.364 1.875 1.00 7.23 H new ATOM 0 HD1 TYR B 105 3.902 7.655 -0.156 1.00 6.65 H new ATOM 0 HD2 TYR B 105 3.372 10.775 2.692 1.00 7.40 H new ATOM 0 HE1 TYR B 105 1.554 6.998 0.125 1.00 6.52 H new ATOM 0 HE2 TYR B 105 1.028 10.113 2.982 1.00 7.32 H new ATOM 0 HH TYR B 105 -0.252 7.179 1.572 1.00 6.84 H new ATOM 3415 N ILE B 106 6.410 8.328 -1.269 1.00 5.84 N ATOM 3416 CA ILE B 106 6.522 7.274 -2.262 1.00 5.13 C ATOM 3417 C ILE B 106 6.216 5.923 -1.628 1.00 4.98 C ATOM 3418 O ILE B 106 6.935 5.475 -0.730 1.00 5.41 O ATOM 3419 CB ILE B 106 7.937 7.234 -2.884 1.00 5.45 C ATOM 3420 CG1 ILE B 106 8.329 8.612 -3.423 1.00 6.30 C ATOM 3421 CG2 ILE B 106 8.000 6.193 -3.993 1.00 4.84 C ATOM 3422 CD1 ILE B 106 9.795 8.727 -3.779 1.00 6.78 C ATOM 0 H ILE B 106 7.039 8.222 -0.473 1.00 5.84 H new ATOM 0 HA ILE B 106 5.801 7.486 -3.051 1.00 5.13 H new ATOM 0 HB ILE B 106 8.647 6.956 -2.105 1.00 5.45 H new ATOM 0 HG12 ILE B 106 7.730 8.831 -4.307 1.00 6.30 H new ATOM 0 HG13 ILE B 106 8.084 9.368 -2.677 1.00 6.30 H new ATOM 0 HG21 ILE B 106 9.002 6.177 -4.421 1.00 4.84 H new ATOM 0 HG22 ILE B 106 7.765 5.211 -3.584 1.00 4.84 H new ATOM 0 HG23 ILE B 106 7.278 6.445 -4.770 1.00 4.84 H new ATOM 0 HD11 ILE B 106 10.001 9.730 -4.154 1.00 6.78 H new ATOM 0 HD12 ILE B 106 10.401 8.540 -2.892 1.00 6.78 H new ATOM 0 HD13 ILE B 106 10.041 7.995 -4.548 1.00 6.78 H new ATOM 3434 N ILE B 107 5.149 5.285 -2.080 1.00 4.66 N ATOM 3435 CA ILE B 107 4.770 3.984 -1.555 1.00 4.86 C ATOM 3436 C ILE B 107 5.418 2.896 -2.391 1.00 4.29 C ATOM 3437 O ILE B 107 5.190 2.810 -3.595 1.00 3.98 O ATOM 3438 CB ILE B 107 3.239 3.782 -1.544 1.00 5.29 C ATOM 3439 CG1 ILE B 107 2.585 4.764 -0.570 1.00 6.01 C ATOM 3440 CG2 ILE B 107 2.893 2.347 -1.170 1.00 5.80 C ATOM 3441 CD1 ILE B 107 1.112 4.505 -0.331 1.00 6.31 C ATOM 0 H ILE B 107 4.532 5.646 -2.807 1.00 4.66 H new ATOM 0 HA ILE B 107 5.116 3.930 -0.523 1.00 4.86 H new ATOM 0 HB ILE B 107 2.854 3.976 -2.545 1.00 5.29 H new ATOM 0 HG12 ILE B 107 3.111 4.719 0.384 1.00 6.01 H new ATOM 0 HG13 ILE B 107 2.708 5.777 -0.954 1.00 6.01 H new ATOM 0 HG21 ILE B 107 1.810 2.223 -1.167 1.00 5.80 H new ATOM 0 HG22 ILE B 107 3.335 1.665 -1.897 1.00 5.80 H new ATOM 0 HG23 ILE B 107 3.286 2.125 -0.178 1.00 5.80 H new ATOM 0 HD11 ILE B 107 0.722 5.243 0.370 1.00 6.31 H new ATOM 0 HD12 ILE B 107 0.572 4.580 -1.275 1.00 6.31 H new ATOM 0 HD13 ILE B 107 0.981 3.506 0.084 1.00 6.31 H new ATOM 3453 N CYS B 108 6.237 2.080 -1.758 1.00 4.36 N ATOM 3454 CA CYS B 108 6.920 1.015 -2.464 1.00 4.09 C ATOM 3455 C CYS B 108 6.411 -0.357 -2.047 1.00 4.49 C ATOM 3456 O CYS B 108 6.501 -0.737 -0.879 1.00 5.31 O ATOM 3457 CB CYS B 108 8.426 1.103 -2.219 1.00 3.74 C ATOM 3458 SG CYS B 108 9.194 2.622 -2.834 1.00 3.04 S ATOM 0 H CYS B 108 6.445 2.133 -0.761 1.00 4.36 H new ATOM 0 HA CYS B 108 6.713 1.141 -3.527 1.00 4.09 H new ATOM 0 HB2 CYS B 108 8.613 1.023 -1.148 1.00 3.74 H new ATOM 0 HB3 CYS B 108 8.910 0.248 -2.692 1.00 3.74 H new ATOM 0 HG CYS B 108 9.450 3.414 -1.835 1.00 3.04 H new ATOM 3464 N THR B 109 5.849 -1.079 -3.002 1.00 4.08 N ATOM 3465 CA THR B 109 5.377 -2.426 -2.752 1.00 4.65 C ATOM 3466 C THR B 109 6.575 -3.367 -2.833 1.00 5.11 C ATOM 3467 O THR B 109 7.017 -3.745 -3.923 1.00 5.24 O ATOM 3468 CB THR B 109 4.289 -2.853 -3.763 1.00 5.03 C ATOM 3469 OG1 THR B 109 3.096 -2.084 -3.547 1.00 4.85 O ATOM 3470 CG2 THR B 109 3.968 -4.339 -3.638 1.00 5.48 C ATOM 0 H THR B 109 5.709 -0.752 -3.958 1.00 4.08 H new ATOM 0 HA THR B 109 4.920 -2.467 -1.763 1.00 4.65 H new ATOM 0 HB THR B 109 4.671 -2.669 -4.767 1.00 5.03 H new ATOM 0 HG1 THR B 109 2.448 -2.620 -3.043 1.00 4.85 H new ATOM 0 HG21 THR B 109 3.199 -4.607 -4.363 1.00 5.48 H new ATOM 0 HG22 THR B 109 4.868 -4.923 -3.831 1.00 5.48 H new ATOM 0 HG23 THR B 109 3.607 -4.550 -2.631 1.00 5.48 H new ATOM 3478 N ASN B 110 7.123 -3.699 -1.676 1.00 5.49 N ATOM 3479 CA ASN B 110 8.292 -4.561 -1.595 1.00 6.04 C ATOM 3480 C ASN B 110 7.902 -6.018 -1.753 1.00 6.71 C ATOM 3481 O ASN B 110 7.388 -6.630 -0.825 1.00 6.90 O ATOM 3482 CB ASN B 110 9.009 -4.349 -0.261 1.00 6.01 C ATOM 3483 CG ASN B 110 10.089 -3.286 -0.341 1.00 6.09 C ATOM 3484 OD1 ASN B 110 10.047 -2.403 -1.197 1.00 6.05 O ATOM 3485 ND2 ASN B 110 11.063 -3.358 0.554 1.00 6.27 N ATOM 0 H ASN B 110 6.774 -3.382 -0.772 1.00 5.49 H new ATOM 0 HA ASN B 110 8.968 -4.299 -2.409 1.00 6.04 H new ATOM 0 HB2 ASN B 110 8.280 -4.065 0.498 1.00 6.01 H new ATOM 0 HB3 ASN B 110 9.454 -5.290 0.062 1.00 6.01 H new ATOM 0 HD21 ASN B 110 11.813 -2.666 0.549 1.00 6.27 H new ATOM 0 HD22 ASN B 110 11.063 -4.105 1.248 1.00 6.27 H new ATOM 3492 N THR B 111 8.133 -6.561 -2.938 1.00 7.16 N ATOM 3493 CA THR B 111 7.811 -7.951 -3.218 1.00 7.90 C ATOM 3494 C THR B 111 9.081 -8.796 -3.274 1.00 8.33 C ATOM 3495 O THR B 111 9.909 -8.614 -4.164 1.00 8.01 O ATOM 3496 CB THR B 111 7.063 -8.074 -4.560 1.00 8.30 C ATOM 3497 OG1 THR B 111 6.407 -6.833 -4.863 1.00 8.18 O ATOM 3498 CG2 THR B 111 6.039 -9.198 -4.514 1.00 8.61 C ATOM 0 H THR B 111 8.544 -6.058 -3.724 1.00 7.16 H new ATOM 0 HA THR B 111 7.172 -8.314 -2.413 1.00 7.90 H new ATOM 0 HB THR B 111 7.790 -8.305 -5.338 1.00 8.30 H new ATOM 0 HG1 THR B 111 5.465 -6.888 -4.600 1.00 8.18 H new ATOM 0 HG21 THR B 111 5.526 -9.262 -5.474 1.00 8.61 H new ATOM 0 HG22 THR B 111 6.544 -10.142 -4.308 1.00 8.61 H new ATOM 0 HG23 THR B 111 5.312 -8.996 -3.727 1.00 8.61 H new ATOM 3506 N ASN B 112 9.247 -9.706 -2.322 1.00 9.14 N ATOM 3507 CA ASN B 112 10.429 -10.562 -2.294 1.00 9.70 C ATOM 3508 C ASN B 112 10.405 -11.546 -3.458 1.00 10.21 C ATOM 3509 O ASN B 112 9.383 -12.180 -3.728 1.00 10.32 O ATOM 3510 CB ASN B 112 10.531 -11.311 -0.959 1.00 10.52 C ATOM 3511 CG ASN B 112 11.430 -12.537 -1.034 1.00 11.13 C ATOM 3512 OD1 ASN B 112 10.950 -13.669 -1.102 1.00 11.84 O ATOM 3513 ND2 ASN B 112 12.737 -12.319 -1.026 1.00 10.90 N ATOM 0 H ASN B 112 8.584 -9.871 -1.564 1.00 9.14 H new ATOM 0 HA ASN B 112 11.309 -9.927 -2.395 1.00 9.70 H new ATOM 0 HB2 ASN B 112 10.913 -10.633 -0.196 1.00 10.52 H new ATOM 0 HB3 ASN B 112 9.534 -11.617 -0.643 1.00 10.52 H new ATOM 0 HD21 ASN B 112 13.385 -13.105 -1.077 1.00 10.90 H new ATOM 0 HD22 ASN B 112 13.095 -11.365 -0.969 1.00 10.90 H new ATOM 3520 N VAL B 113 11.527 -11.649 -4.154 1.00 10.57 N ATOM 3521 CA VAL B 113 11.642 -12.550 -5.290 1.00 11.22 C ATOM 3522 C VAL B 113 12.600 -13.690 -4.964 1.00 11.42 C ATOM 3523 O VAL B 113 12.307 -14.858 -5.221 1.00 11.44 O ATOM 3524 CB VAL B 113 12.142 -11.805 -6.550 1.00 11.03 C ATOM 3525 CG1 VAL B 113 12.206 -12.747 -7.746 1.00 11.77 C ATOM 3526 CG2 VAL B 113 11.251 -10.606 -6.856 1.00 10.85 C ATOM 0 H VAL B 113 12.374 -11.118 -3.951 1.00 10.57 H new ATOM 0 HA VAL B 113 10.650 -12.952 -5.495 1.00 11.22 H new ATOM 0 HB VAL B 113 13.150 -11.440 -6.351 1.00 11.03 H new ATOM 0 HG11 VAL B 113 12.560 -12.201 -8.621 1.00 11.77 H new ATOM 0 HG12 VAL B 113 12.891 -13.566 -7.528 1.00 11.77 H new ATOM 0 HG13 VAL B 113 11.213 -13.148 -7.947 1.00 11.77 H new ATOM 0 HG21 VAL B 113 11.620 -10.096 -7.746 1.00 10.85 H new ATOM 0 HG22 VAL B 113 10.230 -10.946 -7.030 1.00 10.85 H new ATOM 0 HG23 VAL B 113 11.265 -9.917 -6.011 1.00 10.85 H new ATOM 3536 N LYS B 114 13.742 -13.341 -4.391 1.00 11.62 N ATOM 3537 CA LYS B 114 14.751 -14.323 -4.027 1.00 11.92 C ATOM 3538 C LYS B 114 15.347 -13.976 -2.669 1.00 12.21 C ATOM 3539 O LYS B 114 14.677 -14.217 -1.644 1.00 12.68 O ATOM 3540 CB LYS B 114 15.863 -14.375 -5.082 1.00 12.06 C ATOM 3541 CG LYS B 114 15.385 -14.785 -6.465 1.00 11.92 C ATOM 3542 CD LYS B 114 16.498 -14.677 -7.497 1.00 12.03 C ATOM 3543 CE LYS B 114 17.661 -15.596 -7.161 1.00 11.97 C ATOM 3544 NZ LYS B 114 18.681 -15.621 -8.240 1.00 12.15 N ATOM 0 H LYS B 114 13.994 -12.378 -4.167 1.00 11.62 H new ATOM 0 HA LYS B 114 14.275 -15.302 -3.975 1.00 11.92 H new ATOM 0 HB2 LYS B 114 16.333 -13.394 -5.148 1.00 12.06 H new ATOM 0 HB3 LYS B 114 16.630 -15.075 -4.752 1.00 12.06 H new ATOM 0 HG2 LYS B 114 15.015 -15.810 -6.434 1.00 11.92 H new ATOM 0 HG3 LYS B 114 14.548 -14.153 -6.764 1.00 11.92 H new ATOM 0 HD2 LYS B 114 16.107 -14.929 -8.483 1.00 12.03 H new ATOM 0 HD3 LYS B 114 16.850 -13.647 -7.547 1.00 12.03 H new ATOM 0 HE2 LYS B 114 18.125 -15.268 -6.231 1.00 11.97 H new ATOM 0 HE3 LYS B 114 17.288 -16.606 -6.992 1.00 11.97 H new ATOM 0 HZ1 LYS B 114 19.456 -16.260 -7.970 1.00 12.15 H new ATOM 0 HZ2 LYS B 114 18.245 -15.959 -9.122 1.00 12.15 H new ATOM 0 HZ3 LYS B 114 19.057 -14.662 -8.385 1.00 12.15 H new TER 3558 LYS B 114