USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1147 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 SER OG : rot 180:sc= -0.0288 USER MOD Set 1.2: A 123 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.11) USER MOD Set 2.1: A 105 THR OG1 : rot -150:sc= 0.0441 USER MOD Set 2.2: A 106 ASN : amide:sc= -0.105 K(o=-0.061,f=-7.2!) USER MOD Set 3.1: A 97 ASN : amide:sc= -1.37! C(o=-0.09!,f=-5.9!) USER MOD Set 3.2: A 101 LYS NZ :NH3+ 158:sc= 1.28 (180deg=0) USER MOD Set 4.1: A 75 TYR OH : rot 180:sc= 0.362 USER MOD Set 4.2: A 81 ASN :FLIP amide:sc= -0.916 F(o=-1.3,f=-0.55) USER MOD Set 5.1: A 60 GLN :FLIP amide:sc= -0.367 F(o=-1.3,f=-0.5) USER MOD Set 5.2: A 63 GLN :FLIP amide:sc= -0.134 X(o=-0.62,f=-0.5) USER MOD Set 6.1: A 21 ASN : amide:sc= 0.337 K(o=1.8,f=-0.33) USER MOD Set 6.2: A 25 ASN : amide:sc= 1.43 K(o=1.8,f=-0.0074) USER MOD Set 7.1: A 14 THR OG1 : rot 180:sc= 0.0402 USER MOD Set 7.2: A 18 CYS SG : rot -111:sc= 0.628 USER MOD Set 8.1: A 9 GLN :FLIP amide:sc= -1.7! C(o=-2.8!,f=-1.5!) USER MOD Set 8.2: A 11 LYS NZ :NH3+ 141:sc= 0.154 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -3.29 K(o=-3.3,f=-3.9!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= -0.244 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 22:sc= 1.05 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.154 K(o=-0.15,f=-3.4!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -80:sc= 0.619 USER MOD Single : A 85 THR OG1 : rot -59:sc= 1.15 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0819 USER MOD Single : A 89 MET CE :methyl -122:sc= -1.13 (180deg=-2.63!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 CYS SG : rot 180:sc= -0.177 USER MOD Single : A 93 SER OG : rot -34:sc= 0.0907 USER MOD Single : A 94 CYS SG : rot 134:sc= 0.207 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -67:sc= 1.16 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 130:sc= -0.0603 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 168:sc= -0.786 (180deg=-0.995) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 HIS : no HD1:sc= -0.0712 X(o=-0.071,f=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 GLN : amide:sc= 1.19 K(o=1.2,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.495 -11.496 4.303 1.00 6.83 N ATOM 2 CA MET A 1 -10.803 -11.634 3.013 1.00 6.81 C ATOM 3 C MET A 1 -11.498 -10.754 1.970 1.00 5.59 C ATOM 4 O MET A 1 -12.274 -11.287 1.189 1.00 6.65 O ATOM 5 CB MET A 1 -10.785 -13.124 2.627 1.00 8.62 C ATOM 6 CG MET A 1 -10.114 -13.422 1.278 1.00 10.00 C ATOM 7 SD MET A 1 -9.450 -15.104 1.158 1.00 11.91 S ATOM 8 CE MET A 1 -8.889 -15.115 -0.558 1.00 13.41 C ATOM 0 H1 MET A 1 -11.026 -12.092 5.014 1.00 6.83 H new ATOM 0 H2 MET A 1 -11.464 -10.503 4.609 1.00 6.83 H new ATOM 0 H3 MET A 1 -12.486 -11.795 4.199 1.00 6.83 H new ATOM 0 HA MET A 1 -9.769 -11.295 3.075 1.00 6.81 H new ATOM 0 HB2 MET A 1 -10.268 -13.683 3.407 1.00 8.62 H new ATOM 0 HB3 MET A 1 -11.811 -13.492 2.598 1.00 8.62 H new ATOM 0 HG2 MET A 1 -10.839 -13.268 0.479 1.00 10.00 H new ATOM 0 HG3 MET A 1 -9.306 -12.708 1.117 1.00 10.00 H new ATOM 0 HE1 MET A 1 -8.452 -16.086 -0.792 1.00 13.41 H new ATOM 0 HE2 MET A 1 -9.736 -14.929 -1.219 1.00 13.41 H new ATOM 0 HE3 MET A 1 -8.140 -14.336 -0.701 1.00 13.41 H new ATOM 20 N ALA A 2 -11.266 -9.428 2.020 1.00 4.23 N ATOM 21 CA ALA A 2 -11.798 -8.399 1.121 1.00 4.20 C ATOM 22 C ALA A 2 -11.742 -6.961 1.675 1.00 3.75 C ATOM 23 O ALA A 2 -11.304 -6.078 0.942 1.00 3.72 O ATOM 24 CB ALA A 2 -13.178 -8.716 0.619 1.00 4.68 C ATOM 0 H ALA A 2 -10.662 -9.027 2.738 1.00 4.23 H new ATOM 0 HA ALA A 2 -11.110 -8.425 0.276 1.00 4.20 H new ATOM 0 HB1 ALA A 2 -13.517 -7.918 -0.041 1.00 4.68 H new ATOM 0 HB2 ALA A 2 -13.158 -9.657 0.070 1.00 4.68 H new ATOM 0 HB3 ALA A 2 -13.861 -8.803 1.464 1.00 4.68 H new ATOM 30 N PRO A 3 -12.103 -6.675 2.939 1.00 3.64 N ATOM 31 CA PRO A 3 -11.811 -5.366 3.503 1.00 3.40 C ATOM 32 C PRO A 3 -10.299 -5.256 3.727 1.00 3.00 C ATOM 33 O PRO A 3 -9.728 -6.092 4.425 1.00 3.24 O ATOM 34 CB PRO A 3 -12.599 -5.295 4.810 1.00 3.72 C ATOM 35 CG PRO A 3 -12.721 -6.758 5.240 1.00 4.00 C ATOM 36 CD PRO A 3 -12.780 -7.520 3.913 1.00 4.01 C ATOM 0 HA PRO A 3 -12.097 -4.539 2.853 1.00 3.40 H new ATOM 0 HB2 PRO A 3 -12.078 -4.699 5.560 1.00 3.72 H new ATOM 0 HB3 PRO A 3 -13.578 -4.838 4.663 1.00 3.72 H new ATOM 0 HG2 PRO A 3 -11.869 -7.071 5.844 1.00 4.00 H new ATOM 0 HG3 PRO A 3 -13.616 -6.926 5.839 1.00 4.00 H new ATOM 0 HD2 PRO A 3 -12.290 -8.490 3.997 1.00 4.01 H new ATOM 0 HD3 PRO A 3 -13.812 -7.709 3.616 1.00 4.01 H new ATOM 44 N GLN A 4 -9.656 -4.247 3.133 1.00 2.53 N ATOM 45 CA GLN A 4 -8.218 -4.012 3.220 1.00 2.18 C ATOM 46 C GLN A 4 -7.967 -2.587 3.712 1.00 2.01 C ATOM 47 O GLN A 4 -8.775 -1.696 3.463 1.00 2.04 O ATOM 48 CB GLN A 4 -7.523 -4.168 1.857 1.00 1.98 C ATOM 49 CG GLN A 4 -8.123 -5.198 0.902 1.00 2.69 C ATOM 50 CD GLN A 4 -8.140 -6.646 1.376 1.00 2.64 C ATOM 51 OE1 GLN A 4 -7.384 -7.051 2.251 1.00 2.91 O ATOM 52 NE2 GLN A 4 -9.034 -7.417 0.761 1.00 3.04 N ATOM 0 H GLN A 4 -10.139 -3.553 2.562 1.00 2.53 H new ATOM 0 HA GLN A 4 -7.811 -4.752 3.909 1.00 2.18 H new ATOM 0 HB2 GLN A 4 -7.526 -3.198 1.359 1.00 1.98 H new ATOM 0 HB3 GLN A 4 -6.480 -4.433 2.034 1.00 1.98 H new ATOM 0 HG2 GLN A 4 -9.148 -4.901 0.682 1.00 2.69 H new ATOM 0 HG3 GLN A 4 -7.570 -5.154 -0.036 1.00 2.69 H new ATOM 0 HE21 GLN A 4 -9.637 -7.022 0.039 1.00 3.04 H new ATOM 0 HE22 GLN A 4 -9.116 -8.402 1.012 1.00 3.04 H new ATOM 61 N LYS A 5 -6.819 -2.348 4.343 1.00 1.94 N ATOM 62 CA LYS A 5 -6.424 -1.028 4.811 1.00 1.83 C ATOM 63 C LYS A 5 -5.565 -0.299 3.783 1.00 1.71 C ATOM 64 O LYS A 5 -4.906 -0.931 2.962 1.00 1.83 O ATOM 65 CB LYS A 5 -5.699 -1.172 6.153 1.00 1.94 C ATOM 66 CG LYS A 5 -5.888 0.089 6.999 1.00 2.53 C ATOM 67 CD LYS A 5 -4.958 0.143 8.206 1.00 2.73 C ATOM 68 CE LYS A 5 -4.963 -1.042 9.168 1.00 3.01 C ATOM 69 NZ LYS A 5 -3.749 -0.982 10.004 1.00 3.39 N ATOM 0 H LYS A 5 -6.132 -3.075 4.544 1.00 1.94 H new ATOM 0 HA LYS A 5 -7.316 -0.418 4.951 1.00 1.83 H new ATOM 0 HB2 LYS A 5 -6.083 -2.039 6.690 1.00 1.94 H new ATOM 0 HB3 LYS A 5 -4.637 -1.348 5.983 1.00 1.94 H new ATOM 0 HG2 LYS A 5 -5.716 0.967 6.376 1.00 2.53 H new ATOM 0 HG3 LYS A 5 -6.922 0.138 7.341 1.00 2.53 H new ATOM 0 HD2 LYS A 5 -3.940 0.270 7.838 1.00 2.73 H new ATOM 0 HD3 LYS A 5 -5.204 1.038 8.777 1.00 2.73 H new ATOM 0 HE2 LYS A 5 -5.854 -1.015 9.795 1.00 3.01 H new ATOM 0 HE3 LYS A 5 -4.992 -1.979 8.612 1.00 3.01 H new ATOM 0 HZ1 LYS A 5 -3.742 -1.786 10.664 1.00 3.39 H new ATOM 0 HZ2 LYS A 5 -2.906 -1.026 9.396 1.00 3.39 H new ATOM 0 HZ3 LYS A 5 -3.742 -0.092 10.542 1.00 3.39 H new ATOM 83 N CYS A 6 -5.634 1.037 3.817 1.00 1.52 N ATOM 84 CA CYS A 6 -4.898 1.926 2.926 1.00 1.44 C ATOM 85 C CYS A 6 -4.398 3.152 3.694 1.00 1.36 C ATOM 86 O CYS A 6 -5.198 3.843 4.329 1.00 1.35 O ATOM 87 CB CYS A 6 -5.810 2.367 1.779 1.00 1.37 C ATOM 88 SG CYS A 6 -4.844 2.671 0.285 1.00 2.17 S ATOM 0 H CYS A 6 -6.220 1.538 4.485 1.00 1.52 H new ATOM 0 HA CYS A 6 -4.037 1.393 2.522 1.00 1.44 H new ATOM 0 HB2 CYS A 6 -6.558 1.598 1.585 1.00 1.37 H new ATOM 0 HB3 CYS A 6 -6.348 3.272 2.062 1.00 1.37 H new ATOM 0 HG CYS A 6 -5.637 3.042 -0.676 1.00 2.17 H new ATOM 94 N PHE A 7 -3.096 3.433 3.580 1.00 1.35 N ATOM 95 CA PHE A 7 -2.374 4.503 4.270 1.00 1.31 C ATOM 96 C PHE A 7 -2.055 5.653 3.310 1.00 1.14 C ATOM 97 O PHE A 7 -1.078 5.554 2.565 1.00 1.17 O ATOM 98 CB PHE A 7 -1.035 3.951 4.783 1.00 1.48 C ATOM 99 CG PHE A 7 -1.101 3.033 5.987 1.00 1.92 C ATOM 100 CD1 PHE A 7 -1.297 1.650 5.813 1.00 3.41 C ATOM 101 CD2 PHE A 7 -0.792 3.536 7.264 1.00 2.17 C ATOM 102 CE1 PHE A 7 -1.185 0.775 6.908 1.00 3.94 C ATOM 103 CE2 PHE A 7 -0.685 2.663 8.360 1.00 2.55 C ATOM 104 CZ PHE A 7 -0.880 1.283 8.183 1.00 3.06 C ATOM 0 H PHE A 7 -2.486 2.889 2.970 1.00 1.35 H new ATOM 0 HA PHE A 7 -3.000 4.865 5.086 1.00 1.31 H new ATOM 0 HB2 PHE A 7 -0.553 3.411 3.968 1.00 1.48 H new ATOM 0 HB3 PHE A 7 -0.391 4.794 5.031 1.00 1.48 H new ATOM 0 HD1 PHE A 7 -1.534 1.259 4.835 1.00 3.41 H new ATOM 0 HD2 PHE A 7 -0.637 4.596 7.402 1.00 2.17 H new ATOM 0 HE1 PHE A 7 -1.333 -0.286 6.770 1.00 3.94 H new ATOM 0 HE2 PHE A 7 -0.453 3.053 9.340 1.00 2.55 H new ATOM 0 HZ PHE A 7 -0.796 0.613 9.026 1.00 3.06 H new ATOM 114 N LEU A 8 -2.814 6.756 3.336 1.00 0.99 N ATOM 115 CA LEU A 8 -2.529 7.930 2.518 1.00 0.88 C ATOM 116 C LEU A 8 -2.412 9.186 3.378 1.00 0.85 C ATOM 117 O LEU A 8 -2.640 9.144 4.584 1.00 0.94 O ATOM 118 CB LEU A 8 -3.513 8.083 1.327 1.00 0.82 C ATOM 119 CG LEU A 8 -4.903 7.425 1.343 1.00 1.15 C ATOM 120 CD1 LEU A 8 -4.856 5.897 1.314 1.00 2.69 C ATOM 121 CD2 LEU A 8 -5.861 8.006 2.378 1.00 1.88 C ATOM 0 H LEU A 8 -3.641 6.854 3.926 1.00 0.99 H new ATOM 0 HA LEU A 8 -1.554 7.779 2.056 1.00 0.88 H new ATOM 0 HB2 LEU A 8 -3.670 9.152 1.181 1.00 0.82 H new ATOM 0 HB3 LEU A 8 -2.998 7.713 0.441 1.00 0.82 H new ATOM 0 HG LEU A 8 -5.353 7.705 0.390 1.00 1.15 H new ATOM 0 HD11 LEU A 8 -5.872 5.501 1.327 1.00 2.69 H new ATOM 0 HD12 LEU A 8 -4.349 5.566 0.408 1.00 2.69 H new ATOM 0 HD13 LEU A 8 -4.313 5.533 2.187 1.00 2.69 H new ATOM 0 HD21 LEU A 8 -6.817 7.485 2.322 1.00 1.88 H new ATOM 0 HD22 LEU A 8 -5.438 7.882 3.375 1.00 1.88 H new ATOM 0 HD23 LEU A 8 -6.013 9.067 2.178 1.00 1.88 H new ATOM 133 N GLN A 9 -2.020 10.316 2.785 1.00 0.79 N ATOM 134 CA GLN A 9 -2.172 11.604 3.416 1.00 0.82 C ATOM 135 C GLN A 9 -2.955 12.525 2.490 1.00 0.71 C ATOM 136 O GLN A 9 -2.852 12.422 1.263 1.00 0.75 O ATOM 137 CB GLN A 9 -0.806 12.154 3.824 1.00 0.97 C ATOM 138 CG GLN A 9 -0.028 12.922 2.761 1.00 1.24 C ATOM 139 CD GLN A 9 0.628 12.085 1.676 1.00 1.46 C ATOM 140 OE1 GLN A 9 0.752 12.685 0.497 1.00 3.15 O flip ATOM 141 NE2 GLN A 9 1.083 10.969 1.901 1.00 1.39 N flip ATOM 0 H GLN A 9 -1.592 10.351 1.860 1.00 0.79 H new ATOM 0 HA GLN A 9 -2.747 11.519 4.338 1.00 0.82 H new ATOM 0 HB2 GLN A 9 -0.947 12.811 4.682 1.00 0.97 H new ATOM 0 HB3 GLN A 9 -0.190 11.319 4.159 1.00 0.97 H new ATOM 0 HG2 GLN A 9 -0.706 13.630 2.285 1.00 1.24 H new ATOM 0 HG3 GLN A 9 0.746 13.507 3.258 1.00 1.24 H new ATOM 0 HE21 GLN A 9 0.964 10.546 2.822 1.00 1.39 H new ATOM 0 HE22 GLN A 9 1.580 10.464 1.168 1.00 1.39 H new ATOM 150 N ILE A 10 -3.712 13.443 3.089 1.00 0.72 N ATOM 151 CA ILE A 10 -4.478 14.419 2.364 1.00 0.69 C ATOM 152 C ILE A 10 -3.637 15.688 2.307 1.00 0.75 C ATOM 153 O ILE A 10 -3.207 16.195 3.342 1.00 0.88 O ATOM 154 CB ILE A 10 -5.814 14.667 3.078 1.00 0.77 C ATOM 155 CG1 ILE A 10 -6.674 13.398 3.190 1.00 0.81 C ATOM 156 CG2 ILE A 10 -6.575 15.781 2.358 1.00 0.82 C ATOM 157 CD1 ILE A 10 -6.917 12.679 1.860 1.00 0.76 C ATOM 0 H ILE A 10 -3.802 13.519 4.102 1.00 0.72 H new ATOM 0 HA ILE A 10 -4.710 14.078 1.355 1.00 0.69 H new ATOM 0 HB ILE A 10 -5.593 14.973 4.100 1.00 0.77 H new ATOM 0 HG12 ILE A 10 -6.191 12.706 3.880 1.00 0.81 H new ATOM 0 HG13 ILE A 10 -7.637 13.664 3.627 1.00 0.81 H new ATOM 0 HG21 ILE A 10 -7.524 15.959 2.863 1.00 0.82 H new ATOM 0 HG22 ILE A 10 -5.981 16.695 2.370 1.00 0.82 H new ATOM 0 HG23 ILE A 10 -6.763 15.485 1.326 1.00 0.82 H new ATOM 0 HD11 ILE A 10 -7.532 11.796 2.031 1.00 0.76 H new ATOM 0 HD12 ILE A 10 -7.430 13.351 1.172 1.00 0.76 H new ATOM 0 HD13 ILE A 10 -5.962 12.378 1.429 1.00 0.76 H new ATOM 169 N LYS A 11 -3.396 16.192 1.100 1.00 0.82 N ATOM 170 CA LYS A 11 -2.742 17.463 0.868 1.00 0.93 C ATOM 171 C LYS A 11 -3.870 18.461 0.557 1.00 0.93 C ATOM 172 O LYS A 11 -4.569 18.314 -0.448 1.00 1.04 O ATOM 173 CB LYS A 11 -1.716 17.288 -0.267 1.00 1.06 C ATOM 174 CG LYS A 11 -0.556 16.337 0.082 1.00 1.25 C ATOM 175 CD LYS A 11 0.567 17.066 0.839 1.00 2.05 C ATOM 176 CE LYS A 11 1.674 16.132 1.359 1.00 3.05 C ATOM 177 NZ LYS A 11 2.397 15.411 0.286 1.00 3.25 N ATOM 0 H LYS A 11 -3.659 15.711 0.240 1.00 0.82 H new ATOM 0 HA LYS A 11 -2.175 17.837 1.720 1.00 0.93 H new ATOM 0 HB2 LYS A 11 -2.229 16.911 -1.152 1.00 1.06 H new ATOM 0 HB3 LYS A 11 -1.307 18.264 -0.527 1.00 1.06 H new ATOM 0 HG2 LYS A 11 -0.930 15.514 0.690 1.00 1.25 H new ATOM 0 HG3 LYS A 11 -0.155 15.901 -0.833 1.00 1.25 H new ATOM 0 HD2 LYS A 11 1.013 17.811 0.180 1.00 2.05 H new ATOM 0 HD3 LYS A 11 0.134 17.605 1.682 1.00 2.05 H new ATOM 0 HE2 LYS A 11 2.389 16.717 1.937 1.00 3.05 H new ATOM 0 HE3 LYS A 11 1.233 15.404 2.040 1.00 3.05 H new ATOM 0 HZ1 LYS A 11 3.409 15.362 0.521 1.00 3.25 H new ATOM 0 HZ2 LYS A 11 2.015 14.448 0.197 1.00 3.25 H new ATOM 0 HZ3 LYS A 11 2.275 15.916 -0.615 1.00 3.25 H new ATOM 191 N GLY A 12 -4.094 19.419 1.469 1.00 0.95 N ATOM 192 CA GLY A 12 -5.114 20.454 1.337 1.00 1.00 C ATOM 193 C GLY A 12 -5.413 21.117 2.687 1.00 1.04 C ATOM 194 O GLY A 12 -4.934 22.215 2.948 1.00 1.25 O ATOM 0 H GLY A 12 -3.557 19.492 2.333 1.00 0.95 H new ATOM 0 HA2 GLY A 12 -4.779 21.209 0.625 1.00 1.00 H new ATOM 0 HA3 GLY A 12 -6.028 20.018 0.933 1.00 1.00 H new ATOM 198 N MET A 13 -6.196 20.440 3.538 1.00 1.00 N ATOM 199 CA MET A 13 -6.658 20.900 4.852 1.00 1.04 C ATOM 200 C MET A 13 -7.109 22.373 4.883 1.00 1.08 C ATOM 201 O MET A 13 -6.404 23.243 5.386 1.00 1.20 O ATOM 202 CB MET A 13 -5.641 20.554 5.960 1.00 1.22 C ATOM 203 CG MET A 13 -6.172 19.480 6.917 1.00 1.80 C ATOM 204 SD MET A 13 -5.116 19.120 8.345 1.00 2.73 S ATOM 205 CE MET A 13 -3.911 18.006 7.595 1.00 1.69 C ATOM 0 H MET A 13 -6.542 19.507 3.315 1.00 1.00 H new ATOM 0 HA MET A 13 -7.569 20.341 5.063 1.00 1.04 H new ATOM 0 HB2 MET A 13 -4.714 20.206 5.504 1.00 1.22 H new ATOM 0 HB3 MET A 13 -5.400 21.455 6.525 1.00 1.22 H new ATOM 0 HG2 MET A 13 -7.151 19.793 7.280 1.00 1.80 H new ATOM 0 HG3 MET A 13 -6.321 18.558 6.355 1.00 1.80 H new ATOM 0 HE1 MET A 13 -3.187 17.693 8.348 1.00 1.69 H new ATOM 0 HE2 MET A 13 -4.424 17.130 7.197 1.00 1.69 H new ATOM 0 HE3 MET A 13 -3.393 18.521 6.786 1.00 1.69 H new ATOM 215 N THR A 14 -8.336 22.646 4.425 1.00 1.19 N ATOM 216 CA THR A 14 -8.926 23.975 4.504 1.00 1.38 C ATOM 217 C THR A 14 -8.891 24.541 5.927 1.00 1.30 C ATOM 218 O THR A 14 -8.398 25.650 6.122 1.00 1.60 O ATOM 219 CB THR A 14 -10.362 23.924 3.974 1.00 1.67 C ATOM 220 OG1 THR A 14 -10.396 23.105 2.825 1.00 2.03 O ATOM 221 CG2 THR A 14 -10.922 25.314 3.656 1.00 2.13 C ATOM 0 H THR A 14 -8.942 21.949 3.991 1.00 1.19 H new ATOM 0 HA THR A 14 -8.331 24.648 3.887 1.00 1.38 H new ATOM 0 HB THR A 14 -10.996 23.507 4.756 1.00 1.67 H new ATOM 0 HG1 THR A 14 -11.312 23.065 2.479 1.00 2.03 H new ATOM 0 HG21 THR A 14 -11.942 25.219 3.284 1.00 2.13 H new ATOM 0 HG22 THR A 14 -10.921 25.922 4.560 1.00 2.13 H new ATOM 0 HG23 THR A 14 -10.302 25.791 2.897 1.00 2.13 H new ATOM 229 N CYS A 15 -9.450 23.830 6.921 1.00 1.22 N ATOM 230 CA CYS A 15 -9.540 24.411 8.261 1.00 1.54 C ATOM 231 C CYS A 15 -9.832 23.351 9.324 1.00 1.76 C ATOM 232 O CYS A 15 -10.835 23.429 10.027 1.00 1.89 O ATOM 233 CB CYS A 15 -10.585 25.541 8.285 1.00 2.17 C ATOM 234 SG CYS A 15 -10.197 26.622 9.678 1.00 3.04 S ATOM 0 H CYS A 15 -9.831 22.889 6.825 1.00 1.22 H new ATOM 0 HA CYS A 15 -8.568 24.839 8.508 1.00 1.54 H new ATOM 0 HB2 CYS A 15 -10.564 26.101 7.350 1.00 2.17 H new ATOM 0 HB3 CYS A 15 -11.589 25.130 8.388 1.00 2.17 H new ATOM 0 HG CYS A 15 -11.061 27.592 9.728 1.00 3.04 H new ATOM 240 N ALA A 16 -8.970 22.327 9.399 1.00 3.01 N ATOM 241 CA ALA A 16 -9.024 21.239 10.382 1.00 4.44 C ATOM 242 C ALA A 16 -10.455 20.754 10.656 1.00 3.88 C ATOM 243 O ALA A 16 -10.860 20.577 11.802 1.00 3.89 O ATOM 244 CB ALA A 16 -8.317 21.679 11.668 1.00 5.99 C ATOM 0 H ALA A 16 -8.187 22.232 8.752 1.00 3.01 H new ATOM 0 HA ALA A 16 -8.501 20.379 9.963 1.00 4.44 H new ATOM 0 HB1 ALA A 16 -8.356 20.872 12.399 1.00 5.99 H new ATOM 0 HB2 ALA A 16 -7.277 21.919 11.448 1.00 5.99 H new ATOM 0 HB3 ALA A 16 -8.814 22.560 12.073 1.00 5.99 H new ATOM 250 N SER A 17 -11.230 20.569 9.586 1.00 3.39 N ATOM 251 CA SER A 17 -12.673 20.383 9.663 1.00 2.60 C ATOM 252 C SER A 17 -13.216 20.001 8.289 1.00 2.03 C ATOM 253 O SER A 17 -14.015 19.079 8.170 1.00 1.98 O ATOM 254 CB SER A 17 -13.356 21.657 10.189 1.00 3.00 C ATOM 255 OG SER A 17 -14.736 21.426 10.394 1.00 2.57 O ATOM 0 H SER A 17 -10.866 20.544 8.633 1.00 3.39 H new ATOM 0 HA SER A 17 -12.891 19.576 10.362 1.00 2.60 H new ATOM 0 HB2 SER A 17 -12.890 21.968 11.124 1.00 3.00 H new ATOM 0 HB3 SER A 17 -13.219 22.471 9.478 1.00 3.00 H new ATOM 0 HG SER A 17 -15.158 22.244 10.730 1.00 2.57 H new ATOM 261 N CYS A 18 -12.758 20.656 7.220 1.00 1.69 N ATOM 262 CA CYS A 18 -13.291 20.360 5.895 1.00 1.43 C ATOM 263 C CYS A 18 -12.984 18.911 5.508 1.00 1.02 C ATOM 264 O CYS A 18 -13.878 18.179 5.086 1.00 1.00 O ATOM 265 CB CYS A 18 -12.761 21.363 4.880 1.00 1.48 C ATOM 266 SG CYS A 18 -13.527 21.005 3.284 1.00 1.56 S ATOM 0 H CYS A 18 -12.037 21.377 7.245 1.00 1.69 H new ATOM 0 HA CYS A 18 -14.376 20.461 5.908 1.00 1.43 H new ATOM 0 HB2 CYS A 18 -12.993 22.381 5.194 1.00 1.48 H new ATOM 0 HB3 CYS A 18 -11.676 21.292 4.806 1.00 1.48 H new ATOM 0 HG CYS A 18 -12.628 20.547 2.464 1.00 1.56 H new ATOM 272 N VAL A 19 -11.754 18.449 5.779 1.00 0.94 N ATOM 273 CA VAL A 19 -11.416 17.035 5.642 1.00 0.93 C ATOM 274 C VAL A 19 -12.431 16.173 6.398 1.00 0.97 C ATOM 275 O VAL A 19 -12.853 15.132 5.899 1.00 0.99 O ATOM 276 CB VAL A 19 -9.992 16.789 6.154 1.00 1.20 C ATOM 277 CG1 VAL A 19 -9.686 15.293 6.303 1.00 1.92 C ATOM 278 CG2 VAL A 19 -8.966 17.410 5.207 1.00 1.53 C ATOM 0 H VAL A 19 -10.982 19.037 6.093 1.00 0.94 H new ATOM 0 HA VAL A 19 -11.455 16.755 4.589 1.00 0.93 H new ATOM 0 HB VAL A 19 -9.926 17.257 7.136 1.00 1.20 H new ATOM 0 HG11 VAL A 19 -8.667 15.165 6.668 1.00 1.92 H new ATOM 0 HG12 VAL A 19 -10.384 14.848 7.012 1.00 1.92 H new ATOM 0 HG13 VAL A 19 -9.789 14.802 5.335 1.00 1.92 H new ATOM 0 HG21 VAL A 19 -7.961 17.225 5.587 1.00 1.53 H new ATOM 0 HG22 VAL A 19 -9.067 16.964 4.218 1.00 1.53 H new ATOM 0 HG23 VAL A 19 -9.136 18.485 5.140 1.00 1.53 H new ATOM 288 N SER A 20 -12.844 16.642 7.581 1.00 1.14 N ATOM 289 CA SER A 20 -13.802 15.927 8.421 1.00 1.30 C ATOM 290 C SER A 20 -15.136 15.744 7.688 1.00 1.10 C ATOM 291 O SER A 20 -15.810 14.733 7.855 1.00 1.07 O ATOM 292 CB SER A 20 -13.990 16.629 9.774 1.00 1.69 C ATOM 293 OG SER A 20 -14.434 15.718 10.762 1.00 2.42 O ATOM 0 H SER A 20 -12.523 17.525 7.979 1.00 1.14 H new ATOM 0 HA SER A 20 -13.398 14.936 8.627 1.00 1.30 H new ATOM 0 HB2 SER A 20 -13.048 17.080 10.087 1.00 1.69 H new ATOM 0 HB3 SER A 20 -14.712 17.439 9.670 1.00 1.69 H new ATOM 0 HG SER A 20 -14.545 16.188 11.615 1.00 2.42 H new ATOM 299 N ASN A 21 -15.530 16.703 6.846 1.00 1.07 N ATOM 300 CA ASN A 21 -16.670 16.495 5.962 1.00 1.05 C ATOM 301 C ASN A 21 -16.309 15.477 4.877 1.00 0.90 C ATOM 302 O ASN A 21 -17.020 14.486 4.712 1.00 0.90 O ATOM 303 CB ASN A 21 -17.172 17.821 5.377 1.00 1.23 C ATOM 304 CG ASN A 21 -18.048 17.573 4.153 1.00 1.35 C ATOM 305 OD1 ASN A 21 -19.214 17.204 4.263 1.00 2.48 O ATOM 306 ND2 ASN A 21 -17.474 17.734 2.966 1.00 1.32 N ATOM 0 H ASN A 21 -15.082 17.616 6.761 1.00 1.07 H new ATOM 0 HA ASN A 21 -17.497 16.085 6.541 1.00 1.05 H new ATOM 0 HB2 ASN A 21 -17.739 18.366 6.132 1.00 1.23 H new ATOM 0 HB3 ASN A 21 -16.323 18.447 5.102 1.00 1.23 H new ATOM 0 HD21 ASN A 21 -18.004 17.550 2.114 1.00 1.32 H new ATOM 0 HD22 ASN A 21 -16.503 18.042 2.906 1.00 1.32 H new ATOM 313 N ILE A 22 -15.227 15.716 4.125 1.00 0.92 N ATOM 314 CA ILE A 22 -14.797 14.827 3.048 1.00 1.09 C ATOM 315 C ILE A 22 -14.863 13.356 3.491 1.00 1.15 C ATOM 316 O ILE A 22 -15.565 12.553 2.878 1.00 1.25 O ATOM 317 CB ILE A 22 -13.409 15.263 2.518 1.00 1.29 C ATOM 318 CG1 ILE A 22 -13.520 16.429 1.513 1.00 1.56 C ATOM 319 CG2 ILE A 22 -12.648 14.117 1.834 1.00 1.75 C ATOM 320 CD1 ILE A 22 -13.522 17.824 2.126 1.00 2.34 C ATOM 0 H ILE A 22 -14.628 16.532 4.249 1.00 0.92 H new ATOM 0 HA ILE A 22 -15.486 14.909 2.207 1.00 1.09 H new ATOM 0 HB ILE A 22 -12.855 15.582 3.401 1.00 1.29 H new ATOM 0 HG12 ILE A 22 -12.689 16.361 0.811 1.00 1.56 H new ATOM 0 HG13 ILE A 22 -14.436 16.303 0.936 1.00 1.56 H new ATOM 0 HG21 ILE A 22 -11.682 14.480 1.482 1.00 1.75 H new ATOM 0 HG22 ILE A 22 -12.493 13.307 2.546 1.00 1.75 H new ATOM 0 HG23 ILE A 22 -13.228 13.750 0.987 1.00 1.75 H new ATOM 0 HD11 ILE A 22 -13.604 18.569 1.335 1.00 2.34 H new ATOM 0 HD12 ILE A 22 -14.369 17.922 2.805 1.00 2.34 H new ATOM 0 HD13 ILE A 22 -12.595 17.980 2.677 1.00 2.34 H new ATOM 332 N GLU A 23 -14.187 12.991 4.579 1.00 1.34 N ATOM 333 CA GLU A 23 -14.139 11.605 5.029 1.00 1.69 C ATOM 334 C GLU A 23 -15.540 11.027 5.319 1.00 1.27 C ATOM 335 O GLU A 23 -15.816 9.856 5.044 1.00 1.12 O ATOM 336 CB GLU A 23 -13.169 11.502 6.211 1.00 2.42 C ATOM 337 CG GLU A 23 -13.677 12.237 7.457 1.00 2.16 C ATOM 338 CD GLU A 23 -12.632 12.304 8.563 1.00 3.21 C ATOM 339 OE1 GLU A 23 -11.489 12.691 8.239 1.00 4.59 O ATOM 340 OE2 GLU A 23 -12.997 11.969 9.710 1.00 3.39 O ATOM 0 H GLU A 23 -13.664 13.641 5.166 1.00 1.34 H new ATOM 0 HA GLU A 23 -13.758 10.976 4.225 1.00 1.69 H new ATOM 0 HB2 GLU A 23 -13.008 10.452 6.454 1.00 2.42 H new ATOM 0 HB3 GLU A 23 -12.203 11.913 5.920 1.00 2.42 H new ATOM 0 HG2 GLU A 23 -13.975 13.249 7.182 1.00 2.16 H new ATOM 0 HG3 GLU A 23 -14.568 11.734 7.833 1.00 2.16 H new ATOM 347 N ARG A 24 -16.457 11.848 5.839 1.00 1.20 N ATOM 348 CA ARG A 24 -17.828 11.422 6.095 1.00 1.16 C ATOM 349 C ARG A 24 -18.541 11.155 4.773 1.00 0.92 C ATOM 350 O ARG A 24 -19.366 10.248 4.686 1.00 1.02 O ATOM 351 CB ARG A 24 -18.584 12.474 6.914 1.00 1.48 C ATOM 352 CG ARG A 24 -17.981 12.669 8.309 1.00 2.54 C ATOM 353 CD ARG A 24 -18.402 11.592 9.311 1.00 3.48 C ATOM 354 NE ARG A 24 -17.794 11.880 10.618 1.00 4.71 N ATOM 355 CZ ARG A 24 -17.918 11.121 11.717 1.00 5.95 C ATOM 356 NH1 ARG A 24 -18.572 9.955 11.651 1.00 6.43 N ATOM 357 NH2 ARG A 24 -17.392 11.537 12.874 1.00 7.13 N ATOM 0 H ARG A 24 -16.268 12.818 6.091 1.00 1.20 H new ATOM 0 HA ARG A 24 -17.804 10.501 6.677 1.00 1.16 H new ATOM 0 HB2 ARG A 24 -18.573 13.424 6.380 1.00 1.48 H new ATOM 0 HB3 ARG A 24 -19.628 12.175 7.010 1.00 1.48 H new ATOM 0 HG2 ARG A 24 -16.894 12.675 8.229 1.00 2.54 H new ATOM 0 HG3 ARG A 24 -18.278 13.646 8.691 1.00 2.54 H new ATOM 0 HD2 ARG A 24 -19.488 11.566 9.400 1.00 3.48 H new ATOM 0 HD3 ARG A 24 -18.088 10.609 8.960 1.00 3.48 H new ATOM 0 HE ARG A 24 -17.231 12.727 10.696 1.00 4.71 H new ATOM 0 HH11 ARG A 24 -18.975 9.645 10.766 1.00 6.43 H new ATOM 0 HH12 ARG A 24 -18.668 9.376 12.485 1.00 6.43 H new ATOM 0 HH21 ARG A 24 -16.899 12.429 12.919 1.00 7.13 H new ATOM 0 HH22 ARG A 24 -17.484 10.963 13.712 1.00 7.13 H new ATOM 371 N ASN A 25 -18.214 11.935 3.739 1.00 0.82 N ATOM 372 CA ASN A 25 -18.725 11.678 2.402 1.00 0.92 C ATOM 373 C ASN A 25 -18.162 10.345 1.903 1.00 0.96 C ATOM 374 O ASN A 25 -18.930 9.496 1.455 1.00 1.06 O ATOM 375 CB ASN A 25 -18.444 12.844 1.443 1.00 1.12 C ATOM 376 CG ASN A 25 -19.319 14.064 1.733 1.00 1.29 C ATOM 377 OD1 ASN A 25 -20.250 14.358 0.991 1.00 1.78 O ATOM 378 ND2 ASN A 25 -19.031 14.786 2.811 1.00 1.15 N ATOM 0 H ASN A 25 -17.599 12.746 3.808 1.00 0.82 H new ATOM 0 HA ASN A 25 -19.812 11.600 2.439 1.00 0.92 H new ATOM 0 HB2 ASN A 25 -17.394 13.128 1.519 1.00 1.12 H new ATOM 0 HB3 ASN A 25 -18.612 12.515 0.417 1.00 1.12 H new ATOM 0 HD21 ASN A 25 -19.590 15.608 3.039 1.00 1.15 H new ATOM 0 HD22 ASN A 25 -18.251 14.518 3.411 1.00 1.15 H new ATOM 385 N LEU A 26 -16.847 10.115 2.026 1.00 0.99 N ATOM 386 CA LEU A 26 -16.240 8.852 1.611 1.00 1.16 C ATOM 387 C LEU A 26 -16.883 7.649 2.302 1.00 1.13 C ATOM 388 O LEU A 26 -17.074 6.614 1.671 1.00 1.20 O ATOM 389 CB LEU A 26 -14.725 8.851 1.848 1.00 1.28 C ATOM 390 CG LEU A 26 -13.909 9.502 0.723 1.00 1.43 C ATOM 391 CD1 LEU A 26 -13.988 8.715 -0.589 1.00 3.03 C ATOM 392 CD2 LEU A 26 -14.272 10.967 0.483 1.00 3.45 C ATOM 0 H LEU A 26 -16.187 10.791 2.410 1.00 0.99 H new ATOM 0 HA LEU A 26 -16.423 8.760 0.540 1.00 1.16 H new ATOM 0 HB2 LEU A 26 -14.515 9.372 2.782 1.00 1.28 H new ATOM 0 HB3 LEU A 26 -14.390 7.822 1.975 1.00 1.28 H new ATOM 0 HG LEU A 26 -12.878 9.476 1.075 1.00 1.43 H new ATOM 0 HD11 LEU A 26 -13.394 9.218 -1.352 1.00 3.03 H new ATOM 0 HD12 LEU A 26 -13.601 7.708 -0.433 1.00 3.03 H new ATOM 0 HD13 LEU A 26 -15.026 8.658 -0.917 1.00 3.03 H new ATOM 0 HD21 LEU A 26 -13.659 11.366 -0.325 1.00 3.45 H new ATOM 0 HD22 LEU A 26 -15.325 11.041 0.210 1.00 3.45 H new ATOM 0 HD23 LEU A 26 -14.092 11.540 1.393 1.00 3.45 H new ATOM 404 N GLN A 27 -17.271 7.777 3.574 1.00 1.04 N ATOM 405 CA GLN A 27 -18.002 6.723 4.280 1.00 1.06 C ATOM 406 C GLN A 27 -19.251 6.256 3.523 1.00 1.02 C ATOM 407 O GLN A 27 -19.745 5.160 3.776 1.00 1.07 O ATOM 408 CB GLN A 27 -18.384 7.196 5.688 1.00 1.11 C ATOM 409 CG GLN A 27 -17.676 6.372 6.769 1.00 1.18 C ATOM 410 CD GLN A 27 -17.513 7.197 8.033 1.00 1.17 C ATOM 411 OE1 GLN A 27 -16.704 8.243 7.929 1.00 1.70 O flip ATOM 412 NE2 GLN A 27 -18.098 6.923 9.077 1.00 1.22 N flip ATOM 0 H GLN A 27 -17.089 8.607 4.139 1.00 1.04 H new ATOM 0 HA GLN A 27 -17.333 5.865 4.349 1.00 1.06 H new ATOM 0 HB2 GLN A 27 -18.124 8.248 5.802 1.00 1.11 H new ATOM 0 HB3 GLN A 27 -19.463 7.119 5.819 1.00 1.11 H new ATOM 0 HG2 GLN A 27 -18.251 5.471 6.985 1.00 1.18 H new ATOM 0 HG3 GLN A 27 -16.700 6.048 6.409 1.00 1.18 H new ATOM 0 HE21 GLN A 27 -18.713 6.110 9.119 1.00 1.22 H new ATOM 0 HE22 GLN A 27 -17.969 7.508 9.902 1.00 1.22 H new ATOM 421 N LYS A 28 -19.790 7.100 2.638 1.00 0.99 N ATOM 422 CA LYS A 28 -20.958 6.793 1.823 1.00 1.04 C ATOM 423 C LYS A 28 -20.599 6.630 0.339 1.00 1.09 C ATOM 424 O LYS A 28 -21.478 6.738 -0.512 1.00 1.20 O ATOM 425 CB LYS A 28 -22.013 7.886 2.038 1.00 1.11 C ATOM 426 CG LYS A 28 -22.303 8.081 3.533 1.00 1.10 C ATOM 427 CD LYS A 28 -23.581 8.909 3.712 1.00 1.61 C ATOM 428 CE LYS A 28 -24.051 8.856 5.171 1.00 2.50 C ATOM 429 NZ LYS A 28 -25.221 9.728 5.405 1.00 3.52 N ATOM 0 H LYS A 28 -19.415 8.033 2.468 1.00 0.99 H new ATOM 0 HA LYS A 28 -21.367 5.833 2.137 1.00 1.04 H new ATOM 0 HB2 LYS A 28 -21.664 8.824 1.606 1.00 1.11 H new ATOM 0 HB3 LYS A 28 -22.932 7.617 1.517 1.00 1.11 H new ATOM 0 HG2 LYS A 28 -22.415 7.112 4.020 1.00 1.10 H new ATOM 0 HG3 LYS A 28 -21.463 8.584 4.013 1.00 1.10 H new ATOM 0 HD2 LYS A 28 -23.396 9.943 3.420 1.00 1.61 H new ATOM 0 HD3 LYS A 28 -24.364 8.528 3.057 1.00 1.61 H new ATOM 0 HE2 LYS A 28 -24.305 7.829 5.433 1.00 2.50 H new ATOM 0 HE3 LYS A 28 -23.235 9.160 5.827 1.00 2.50 H new ATOM 0 HZ1 LYS A 28 -25.508 9.664 6.403 1.00 3.52 H new ATOM 0 HZ2 LYS A 28 -24.971 10.712 5.179 1.00 3.52 H new ATOM 0 HZ3 LYS A 28 -26.008 9.423 4.798 1.00 3.52 H new ATOM 443 N GLU A 29 -19.329 6.351 0.024 1.00 1.07 N ATOM 444 CA GLU A 29 -18.879 6.114 -1.340 1.00 1.18 C ATOM 445 C GLU A 29 -19.371 4.746 -1.815 1.00 1.27 C ATOM 446 O GLU A 29 -20.171 4.651 -2.743 1.00 1.36 O ATOM 447 CB GLU A 29 -17.349 6.246 -1.396 1.00 1.23 C ATOM 448 CG GLU A 29 -16.758 5.951 -2.783 1.00 1.57 C ATOM 449 CD GLU A 29 -15.608 6.897 -3.111 1.00 2.01 C ATOM 450 OE1 GLU A 29 -15.909 8.091 -3.316 1.00 3.51 O ATOM 451 OE2 GLU A 29 -14.455 6.416 -3.120 1.00 2.22 O ATOM 0 H GLU A 29 -18.584 6.284 0.718 1.00 1.07 H new ATOM 0 HA GLU A 29 -19.299 6.857 -2.019 1.00 1.18 H new ATOM 0 HB2 GLU A 29 -17.068 7.256 -1.098 1.00 1.23 H new ATOM 0 HB3 GLU A 29 -16.907 5.565 -0.669 1.00 1.23 H new ATOM 0 HG2 GLU A 29 -16.404 4.921 -2.818 1.00 1.57 H new ATOM 0 HG3 GLU A 29 -17.537 6.047 -3.540 1.00 1.57 H new ATOM 458 N ALA A 30 -18.882 3.683 -1.171 1.00 1.29 N ATOM 459 CA ALA A 30 -19.165 2.301 -1.530 1.00 1.40 C ATOM 460 C ALA A 30 -18.622 1.400 -0.416 1.00 1.38 C ATOM 461 O ALA A 30 -18.967 1.600 0.745 1.00 1.35 O ATOM 462 CB ALA A 30 -18.583 1.988 -2.918 1.00 1.52 C ATOM 0 H ALA A 30 -18.263 3.768 -0.365 1.00 1.29 H new ATOM 0 HA ALA A 30 -20.237 2.119 -1.612 1.00 1.40 H new ATOM 0 HB1 ALA A 30 -18.800 0.952 -3.178 1.00 1.52 H new ATOM 0 HB2 ALA A 30 -19.032 2.650 -3.659 1.00 1.52 H new ATOM 0 HB3 ALA A 30 -17.504 2.140 -2.903 1.00 1.52 H new ATOM 468 N GLY A 31 -17.748 0.437 -0.728 1.00 1.46 N ATOM 469 CA GLY A 31 -17.291 -0.556 0.239 1.00 1.54 C ATOM 470 C GLY A 31 -16.304 -0.023 1.282 1.00 1.44 C ATOM 471 O GLY A 31 -15.857 -0.787 2.131 1.00 1.53 O ATOM 0 H GLY A 31 -17.341 0.328 -1.657 1.00 1.46 H new ATOM 0 HA2 GLY A 31 -18.158 -0.967 0.755 1.00 1.54 H new ATOM 0 HA3 GLY A 31 -16.821 -1.379 -0.300 1.00 1.54 H new ATOM 475 N VAL A 32 -15.940 1.262 1.234 1.00 1.35 N ATOM 476 CA VAL A 32 -15.096 1.874 2.248 1.00 1.27 C ATOM 477 C VAL A 32 -15.956 2.271 3.448 1.00 1.25 C ATOM 478 O VAL A 32 -16.656 3.278 3.408 1.00 1.24 O ATOM 479 CB VAL A 32 -14.241 3.012 1.650 1.00 1.19 C ATOM 480 CG1 VAL A 32 -15.026 4.055 0.850 1.00 1.66 C ATOM 481 CG2 VAL A 32 -13.417 3.731 2.728 1.00 1.22 C ATOM 0 H VAL A 32 -16.224 1.900 0.491 1.00 1.35 H new ATOM 0 HA VAL A 32 -14.364 1.158 2.621 1.00 1.27 H new ATOM 0 HB VAL A 32 -13.584 2.500 0.947 1.00 1.19 H new ATOM 0 HG11 VAL A 32 -14.341 4.813 0.470 1.00 1.66 H new ATOM 0 HG12 VAL A 32 -15.529 3.569 0.014 1.00 1.66 H new ATOM 0 HG13 VAL A 32 -15.767 4.526 1.495 1.00 1.66 H new ATOM 0 HG21 VAL A 32 -12.829 4.525 2.267 1.00 1.22 H new ATOM 0 HG22 VAL A 32 -14.088 4.161 3.472 1.00 1.22 H new ATOM 0 HG23 VAL A 32 -12.749 3.018 3.211 1.00 1.22 H new ATOM 491 N LEU A 33 -15.897 1.475 4.524 1.00 1.45 N ATOM 492 CA LEU A 33 -16.636 1.756 5.756 1.00 1.44 C ATOM 493 C LEU A 33 -15.681 1.904 6.935 1.00 1.47 C ATOM 494 O LEU A 33 -15.852 1.304 7.995 1.00 1.57 O ATOM 495 CB LEU A 33 -17.719 0.692 6.016 1.00 1.58 C ATOM 496 CG LEU A 33 -17.226 -0.739 6.334 1.00 1.49 C ATOM 497 CD1 LEU A 33 -18.210 -1.413 7.297 1.00 2.15 C ATOM 498 CD2 LEU A 33 -17.075 -1.595 5.076 1.00 2.41 C ATOM 0 H LEU A 33 -15.338 0.623 4.562 1.00 1.45 H new ATOM 0 HA LEU A 33 -17.154 2.707 5.634 1.00 1.44 H new ATOM 0 HB2 LEU A 33 -18.337 1.032 6.847 1.00 1.58 H new ATOM 0 HB3 LEU A 33 -18.364 0.642 5.139 1.00 1.58 H new ATOM 0 HG LEU A 33 -16.240 -0.654 6.792 1.00 1.49 H new ATOM 0 HD11 LEU A 33 -17.865 -2.422 7.523 1.00 2.15 H new ATOM 0 HD12 LEU A 33 -18.270 -0.835 8.219 1.00 2.15 H new ATOM 0 HD13 LEU A 33 -19.196 -1.462 6.835 1.00 2.15 H new ATOM 0 HD21 LEU A 33 -16.727 -2.590 5.353 1.00 2.41 H new ATOM 0 HD22 LEU A 33 -18.038 -1.675 4.572 1.00 2.41 H new ATOM 0 HD23 LEU A 33 -16.352 -1.131 4.405 1.00 2.41 H new ATOM 510 N SER A 34 -14.678 2.762 6.784 1.00 1.39 N ATOM 511 CA SER A 34 -13.788 3.130 7.864 1.00 1.39 C ATOM 512 C SER A 34 -13.133 4.440 7.487 1.00 1.27 C ATOM 513 O SER A 34 -12.821 4.653 6.319 1.00 1.24 O ATOM 514 CB SER A 34 -12.720 2.054 8.058 1.00 1.59 C ATOM 515 OG SER A 34 -13.226 0.928 8.749 1.00 2.91 O ATOM 0 H SER A 34 -14.463 3.222 5.899 1.00 1.39 H new ATOM 0 HA SER A 34 -14.343 3.229 8.797 1.00 1.39 H new ATOM 0 HB2 SER A 34 -12.338 1.742 7.086 1.00 1.59 H new ATOM 0 HB3 SER A 34 -11.879 2.472 8.612 1.00 1.59 H new ATOM 0 HG SER A 34 -14.202 0.904 8.665 1.00 2.91 H new ATOM 521 N VAL A 35 -12.918 5.284 8.487 1.00 1.25 N ATOM 522 CA VAL A 35 -12.256 6.556 8.355 1.00 1.18 C ATOM 523 C VAL A 35 -11.393 6.699 9.594 1.00 1.29 C ATOM 524 O VAL A 35 -11.940 6.719 10.695 1.00 1.50 O ATOM 525 CB VAL A 35 -13.329 7.649 8.225 1.00 1.16 C ATOM 526 CG1 VAL A 35 -12.893 9.018 8.750 1.00 1.82 C ATOM 527 CG2 VAL A 35 -13.721 7.780 6.748 1.00 2.47 C ATOM 0 H VAL A 35 -13.214 5.086 9.443 1.00 1.25 H new ATOM 0 HA VAL A 35 -11.624 6.640 7.471 1.00 1.18 H new ATOM 0 HB VAL A 35 -14.170 7.338 8.844 1.00 1.16 H new ATOM 0 HG11 VAL A 35 -13.706 9.733 8.622 1.00 1.82 H new ATOM 0 HG12 VAL A 35 -12.643 8.939 9.808 1.00 1.82 H new ATOM 0 HG13 VAL A 35 -12.019 9.359 8.195 1.00 1.82 H new ATOM 0 HG21 VAL A 35 -14.482 8.553 6.641 1.00 2.47 H new ATOM 0 HG22 VAL A 35 -12.843 8.051 6.161 1.00 2.47 H new ATOM 0 HG23 VAL A 35 -14.116 6.829 6.391 1.00 2.47 H new ATOM 537 N LEU A 36 -10.066 6.763 9.442 1.00 1.21 N ATOM 538 CA LEU A 36 -9.236 7.198 10.554 1.00 1.24 C ATOM 539 C LEU A 36 -8.114 8.127 10.083 1.00 1.20 C ATOM 540 O LEU A 36 -7.016 7.694 9.742 1.00 1.34 O ATOM 541 CB LEU A 36 -8.819 6.005 11.428 1.00 1.42 C ATOM 542 CG LEU A 36 -7.748 5.057 10.867 1.00 2.49 C ATOM 543 CD1 LEU A 36 -6.421 5.237 11.621 1.00 1.90 C ATOM 544 CD2 LEU A 36 -8.179 3.591 10.970 1.00 4.66 C ATOM 0 H LEU A 36 -9.563 6.526 8.587 1.00 1.21 H new ATOM 0 HA LEU A 36 -9.817 7.826 11.229 1.00 1.24 H new ATOM 0 HB2 LEU A 36 -8.458 6.395 12.380 1.00 1.42 H new ATOM 0 HB3 LEU A 36 -9.711 5.416 11.642 1.00 1.42 H new ATOM 0 HG LEU A 36 -7.617 5.311 9.815 1.00 2.49 H new ATOM 0 HD11 LEU A 36 -5.674 4.558 11.210 1.00 1.90 H new ATOM 0 HD12 LEU A 36 -6.076 6.265 11.510 1.00 1.90 H new ATOM 0 HD13 LEU A 36 -6.570 5.016 12.678 1.00 1.90 H new ATOM 0 HD21 LEU A 36 -7.395 2.952 10.563 1.00 4.66 H new ATOM 0 HD22 LEU A 36 -8.350 3.335 12.016 1.00 4.66 H new ATOM 0 HD23 LEU A 36 -9.099 3.442 10.405 1.00 4.66 H new ATOM 556 N VAL A 37 -8.382 9.436 10.068 1.00 1.06 N ATOM 557 CA VAL A 37 -7.360 10.433 9.814 1.00 1.13 C ATOM 558 C VAL A 37 -6.880 11.035 11.133 1.00 1.29 C ATOM 559 O VAL A 37 -7.544 10.913 12.160 1.00 1.63 O ATOM 560 CB VAL A 37 -7.854 11.493 8.811 1.00 1.03 C ATOM 561 CG1 VAL A 37 -8.731 10.896 7.705 1.00 2.67 C ATOM 562 CG2 VAL A 37 -8.592 12.658 9.473 1.00 2.16 C ATOM 0 H VAL A 37 -9.311 9.824 10.232 1.00 1.06 H new ATOM 0 HA VAL A 37 -6.500 9.956 9.345 1.00 1.13 H new ATOM 0 HB VAL A 37 -6.942 11.886 8.361 1.00 1.03 H new ATOM 0 HG11 VAL A 37 -9.051 11.687 7.027 1.00 2.67 H new ATOM 0 HG12 VAL A 37 -8.160 10.152 7.150 1.00 2.67 H new ATOM 0 HG13 VAL A 37 -9.607 10.424 8.150 1.00 2.67 H new ATOM 0 HG21 VAL A 37 -8.912 13.367 8.709 1.00 2.16 H new ATOM 0 HG22 VAL A 37 -9.465 12.280 10.006 1.00 2.16 H new ATOM 0 HG23 VAL A 37 -7.926 13.158 10.176 1.00 2.16 H new ATOM 572 N ALA A 38 -5.728 11.704 11.093 1.00 1.12 N ATOM 573 CA ALA A 38 -5.245 12.550 12.168 1.00 1.21 C ATOM 574 C ALA A 38 -4.908 13.908 11.568 1.00 1.18 C ATOM 575 O ALA A 38 -3.854 14.061 10.958 1.00 1.24 O ATOM 576 CB ALA A 38 -4.021 11.912 12.832 1.00 1.33 C ATOM 0 H ALA A 38 -5.096 11.668 10.293 1.00 1.12 H new ATOM 0 HA ALA A 38 -6.003 12.669 12.942 1.00 1.21 H new ATOM 0 HB1 ALA A 38 -3.667 12.556 13.637 1.00 1.33 H new ATOM 0 HB2 ALA A 38 -4.294 10.938 13.239 1.00 1.33 H new ATOM 0 HB3 ALA A 38 -3.230 11.787 12.093 1.00 1.33 H new ATOM 582 N LEU A 39 -5.793 14.891 11.751 1.00 1.16 N ATOM 583 CA LEU A 39 -5.614 16.255 11.253 1.00 1.17 C ATOM 584 C LEU A 39 -4.432 16.952 11.945 1.00 1.27 C ATOM 585 O LEU A 39 -3.919 17.944 11.439 1.00 1.32 O ATOM 586 CB LEU A 39 -6.923 17.049 11.438 1.00 1.14 C ATOM 587 CG LEU A 39 -8.082 16.419 10.654 1.00 2.34 C ATOM 588 CD1 LEU A 39 -9.431 16.672 11.335 1.00 3.32 C ATOM 589 CD2 LEU A 39 -8.108 16.959 9.228 1.00 2.82 C ATOM 0 H LEU A 39 -6.668 14.758 12.258 1.00 1.16 H new ATOM 0 HA LEU A 39 -5.378 16.213 10.190 1.00 1.17 H new ATOM 0 HB2 LEU A 39 -7.178 17.089 12.497 1.00 1.14 H new ATOM 0 HB3 LEU A 39 -6.775 18.077 11.107 1.00 1.14 H new ATOM 0 HG LEU A 39 -7.917 15.342 10.630 1.00 2.34 H new ATOM 0 HD11 LEU A 39 -10.226 16.210 10.750 1.00 3.32 H new ATOM 0 HD12 LEU A 39 -9.420 16.241 12.336 1.00 3.32 H new ATOM 0 HD13 LEU A 39 -9.608 17.745 11.405 1.00 3.32 H new ATOM 0 HD21 LEU A 39 -8.935 16.505 8.682 1.00 2.82 H new ATOM 0 HD22 LEU A 39 -8.239 18.041 9.251 1.00 2.82 H new ATOM 0 HD23 LEU A 39 -7.169 16.718 8.731 1.00 2.82 H new ATOM 601 N MET A 40 -3.989 16.419 13.091 1.00 1.35 N ATOM 602 CA MET A 40 -2.837 16.922 13.829 1.00 1.47 C ATOM 603 C MET A 40 -1.554 16.655 13.039 1.00 1.43 C ATOM 604 O MET A 40 -0.779 17.569 12.774 1.00 1.44 O ATOM 605 CB MET A 40 -2.785 16.259 15.217 1.00 1.62 C ATOM 606 CG MET A 40 -3.681 16.998 16.220 1.00 1.78 C ATOM 607 SD MET A 40 -3.734 16.301 17.895 1.00 2.62 S ATOM 608 CE MET A 40 -4.830 14.887 17.643 1.00 4.37 C ATOM 0 H MET A 40 -4.432 15.614 13.533 1.00 1.35 H new ATOM 0 HA MET A 40 -2.930 17.999 13.966 1.00 1.47 H new ATOM 0 HB2 MET A 40 -3.103 15.220 15.138 1.00 1.62 H new ATOM 0 HB3 MET A 40 -1.757 16.251 15.581 1.00 1.62 H new ATOM 0 HG2 MET A 40 -3.343 18.032 16.288 1.00 1.78 H new ATOM 0 HG3 MET A 40 -4.696 17.020 15.824 1.00 1.78 H new ATOM 0 HE1 MET A 40 -4.961 14.356 18.586 1.00 4.37 H new ATOM 0 HE2 MET A 40 -5.799 15.237 17.286 1.00 4.37 H new ATOM 0 HE3 MET A 40 -4.392 14.214 16.905 1.00 4.37 H new ATOM 618 N ALA A 41 -1.325 15.387 12.689 1.00 1.44 N ATOM 619 CA ALA A 41 -0.117 14.960 11.991 1.00 1.41 C ATOM 620 C ALA A 41 -0.266 15.102 10.473 1.00 1.28 C ATOM 621 O ALA A 41 0.726 15.246 9.765 1.00 1.35 O ATOM 622 CB ALA A 41 0.207 13.517 12.379 1.00 1.46 C ATOM 0 H ALA A 41 -1.977 14.627 12.884 1.00 1.44 H new ATOM 0 HA ALA A 41 0.708 15.606 12.290 1.00 1.41 H new ATOM 0 HB1 ALA A 41 1.109 13.194 11.859 1.00 1.46 H new ATOM 0 HB2 ALA A 41 0.367 13.457 13.455 1.00 1.46 H new ATOM 0 HB3 ALA A 41 -0.624 12.870 12.099 1.00 1.46 H new ATOM 628 N GLY A 42 -1.502 15.030 9.973 1.00 1.12 N ATOM 629 CA GLY A 42 -1.812 15.068 8.557 1.00 1.05 C ATOM 630 C GLY A 42 -1.598 13.696 7.932 1.00 1.02 C ATOM 631 O GLY A 42 -0.722 13.535 7.087 1.00 1.03 O ATOM 0 H GLY A 42 -2.329 14.942 10.563 1.00 1.12 H new ATOM 0 HA2 GLY A 42 -2.845 15.384 8.412 1.00 1.05 H new ATOM 0 HA3 GLY A 42 -1.181 15.804 8.059 1.00 1.05 H new ATOM 635 N LYS A 43 -2.402 12.702 8.326 1.00 1.01 N ATOM 636 CA LYS A 43 -2.397 11.392 7.714 1.00 1.00 C ATOM 637 C LYS A 43 -3.843 10.934 7.639 1.00 0.94 C ATOM 638 O LYS A 43 -4.580 11.191 8.588 1.00 0.96 O ATOM 639 CB LYS A 43 -1.558 10.424 8.551 1.00 1.11 C ATOM 640 CG LYS A 43 -1.775 10.480 10.071 1.00 1.31 C ATOM 641 CD LYS A 43 -0.816 9.496 10.762 1.00 1.51 C ATOM 642 CE LYS A 43 -0.975 9.466 12.291 1.00 2.12 C ATOM 643 NZ LYS A 43 -2.075 8.581 12.734 1.00 3.11 N ATOM 0 H LYS A 43 -3.076 12.797 9.086 1.00 1.01 H new ATOM 0 HA LYS A 43 -1.956 11.422 6.718 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.766 9.409 8.212 1.00 1.11 H new ATOM 0 HB3 LYS A 43 -0.505 10.619 8.348 1.00 1.11 H new ATOM 0 HG2 LYS A 43 -1.601 11.492 10.437 1.00 1.31 H new ATOM 0 HG3 LYS A 43 -2.808 10.227 10.311 1.00 1.31 H new ATOM 0 HD2 LYS A 43 -0.986 8.495 10.366 1.00 1.51 H new ATOM 0 HD3 LYS A 43 0.211 9.766 10.515 1.00 1.51 H new ATOM 0 HE2 LYS A 43 -0.041 9.132 12.743 1.00 2.12 H new ATOM 0 HE3 LYS A 43 -1.160 10.477 12.653 1.00 2.12 H new ATOM 0 HZ1 LYS A 43 -2.138 8.598 13.772 1.00 3.11 H new ATOM 0 HZ2 LYS A 43 -2.973 8.913 12.327 1.00 3.11 H new ATOM 0 HZ3 LYS A 43 -1.889 7.609 12.415 1.00 3.11 H new ATOM 657 N ALA A 44 -4.232 10.276 6.544 1.00 0.92 N ATOM 658 CA ALA A 44 -5.510 9.606 6.394 1.00 0.90 C ATOM 659 C ALA A 44 -5.300 8.099 6.208 1.00 0.96 C ATOM 660 O ALA A 44 -4.824 7.650 5.170 1.00 0.93 O ATOM 661 CB ALA A 44 -6.284 10.245 5.241 1.00 0.82 C ATOM 0 H ALA A 44 -3.642 10.197 5.716 1.00 0.92 H new ATOM 0 HA ALA A 44 -6.108 9.727 7.297 1.00 0.90 H new ATOM 0 HB1 ALA A 44 -7.245 9.744 5.126 1.00 0.82 H new ATOM 0 HB2 ALA A 44 -6.449 11.301 5.455 1.00 0.82 H new ATOM 0 HB3 ALA A 44 -5.711 10.147 4.319 1.00 0.82 H new ATOM 667 N GLU A 45 -5.677 7.309 7.212 1.00 1.07 N ATOM 668 CA GLU A 45 -5.766 5.862 7.103 1.00 1.16 C ATOM 669 C GLU A 45 -7.241 5.532 6.871 1.00 1.13 C ATOM 670 O GLU A 45 -8.100 6.075 7.569 1.00 1.14 O ATOM 671 CB GLU A 45 -5.285 5.245 8.426 1.00 1.39 C ATOM 672 CG GLU A 45 -3.831 4.761 8.428 1.00 1.95 C ATOM 673 CD GLU A 45 -3.823 3.242 8.374 1.00 3.20 C ATOM 674 OE1 GLU A 45 -4.167 2.733 7.289 1.00 4.52 O ATOM 675 OE2 GLU A 45 -3.594 2.617 9.439 1.00 3.71 O ATOM 0 H GLU A 45 -5.931 7.665 8.134 1.00 1.07 H new ATOM 0 HA GLU A 45 -5.154 5.470 6.290 1.00 1.16 H new ATOM 0 HB2 GLU A 45 -5.407 5.983 9.219 1.00 1.39 H new ATOM 0 HB3 GLU A 45 -5.932 4.403 8.673 1.00 1.39 H new ATOM 0 HG2 GLU A 45 -3.295 5.172 7.573 1.00 1.95 H new ATOM 0 HG3 GLU A 45 -3.318 5.110 9.324 1.00 1.95 H new ATOM 682 N ILE A 46 -7.571 4.657 5.918 1.00 1.13 N ATOM 683 CA ILE A 46 -8.918 4.112 5.826 1.00 1.15 C ATOM 684 C ILE A 46 -8.886 2.597 5.555 1.00 1.29 C ATOM 685 O ILE A 46 -7.828 2.060 5.232 1.00 1.42 O ATOM 686 CB ILE A 46 -9.731 4.913 4.794 1.00 1.03 C ATOM 687 CG1 ILE A 46 -9.376 4.645 3.334 1.00 1.59 C ATOM 688 CG2 ILE A 46 -9.765 6.426 5.041 1.00 1.50 C ATOM 689 CD1 ILE A 46 -8.185 5.414 2.758 1.00 1.77 C ATOM 0 H ILE A 46 -6.925 4.316 5.206 1.00 1.13 H new ATOM 0 HA ILE A 46 -9.428 4.221 6.783 1.00 1.15 H new ATOM 0 HB ILE A 46 -10.733 4.519 4.963 1.00 1.03 H new ATOM 0 HG12 ILE A 46 -9.177 3.579 3.224 1.00 1.59 H new ATOM 0 HG13 ILE A 46 -10.252 4.870 2.725 1.00 1.59 H new ATOM 0 HG21 ILE A 46 -10.360 6.908 4.265 1.00 1.50 H new ATOM 0 HG22 ILE A 46 -10.210 6.626 6.016 1.00 1.50 H new ATOM 0 HG23 ILE A 46 -8.750 6.821 5.018 1.00 1.50 H new ATOM 0 HD11 ILE A 46 -8.040 5.132 1.715 1.00 1.77 H new ATOM 0 HD12 ILE A 46 -8.378 6.485 2.821 1.00 1.77 H new ATOM 0 HD13 ILE A 46 -7.287 5.173 3.327 1.00 1.77 H new ATOM 701 N LYS A 47 -10.034 1.905 5.672 1.00 1.30 N ATOM 702 CA LYS A 47 -10.237 0.561 5.127 1.00 1.51 C ATOM 703 C LYS A 47 -11.276 0.596 4.010 1.00 1.49 C ATOM 704 O LYS A 47 -12.465 0.770 4.272 1.00 1.52 O ATOM 705 CB LYS A 47 -10.671 -0.501 6.155 1.00 1.87 C ATOM 706 CG LYS A 47 -9.537 -1.157 6.953 1.00 2.16 C ATOM 707 CD LYS A 47 -9.296 -0.513 8.319 1.00 2.46 C ATOM 708 CE LYS A 47 -10.473 -0.832 9.245 1.00 3.11 C ATOM 709 NZ LYS A 47 -10.147 -1.826 10.288 1.00 3.96 N ATOM 0 H LYS A 47 -10.854 2.273 6.155 1.00 1.30 H new ATOM 0 HA LYS A 47 -9.255 0.262 4.761 1.00 1.51 H new ATOM 0 HB2 LYS A 47 -11.364 -0.038 6.857 1.00 1.87 H new ATOM 0 HB3 LYS A 47 -11.222 -1.283 5.632 1.00 1.87 H new ATOM 0 HG2 LYS A 47 -9.767 -2.213 7.094 1.00 2.16 H new ATOM 0 HG3 LYS A 47 -8.618 -1.107 6.370 1.00 2.16 H new ATOM 0 HD2 LYS A 47 -8.367 -0.886 8.751 1.00 2.46 H new ATOM 0 HD3 LYS A 47 -9.186 0.566 8.211 1.00 2.46 H new ATOM 0 HE2 LYS A 47 -10.809 0.088 9.723 1.00 3.11 H new ATOM 0 HE3 LYS A 47 -11.305 -1.203 8.647 1.00 3.11 H new ATOM 0 HZ1 LYS A 47 -10.985 -1.996 10.879 1.00 3.96 H new ATOM 0 HZ2 LYS A 47 -9.853 -2.717 9.839 1.00 3.96 H new ATOM 0 HZ3 LYS A 47 -9.372 -1.466 10.881 1.00 3.96 H new ATOM 723 N TYR A 48 -10.797 0.389 2.787 1.00 1.50 N ATOM 724 CA TYR A 48 -11.538 0.173 1.569 1.00 1.56 C ATOM 725 C TYR A 48 -11.625 -1.320 1.236 1.00 1.71 C ATOM 726 O TYR A 48 -11.159 -2.163 1.999 1.00 1.84 O ATOM 727 CB TYR A 48 -10.842 0.971 0.467 1.00 1.39 C ATOM 728 CG TYR A 48 -9.630 0.323 -0.194 1.00 1.45 C ATOM 729 CD1 TYR A 48 -8.455 0.026 0.525 1.00 1.72 C ATOM 730 CD2 TYR A 48 -9.681 0.031 -1.568 1.00 2.51 C ATOM 731 CE1 TYR A 48 -7.347 -0.541 -0.127 1.00 1.94 C ATOM 732 CE2 TYR A 48 -8.573 -0.526 -2.221 1.00 2.60 C ATOM 733 CZ TYR A 48 -7.400 -0.808 -1.503 1.00 1.82 C ATOM 734 OH TYR A 48 -6.310 -1.322 -2.141 1.00 2.11 O ATOM 0 H TYR A 48 -9.791 0.368 2.619 1.00 1.50 H new ATOM 0 HA TYR A 48 -12.568 0.514 1.675 1.00 1.56 H new ATOM 0 HB2 TYR A 48 -11.576 1.189 -0.309 1.00 1.39 H new ATOM 0 HB3 TYR A 48 -10.529 1.927 0.887 1.00 1.39 H new ATOM 0 HD1 TYR A 48 -8.406 0.235 1.583 1.00 1.72 H new ATOM 0 HD2 TYR A 48 -10.582 0.238 -2.126 1.00 2.51 H new ATOM 0 HE1 TYR A 48 -6.453 -0.772 0.433 1.00 1.94 H new ATOM 0 HE2 TYR A 48 -8.622 -0.739 -3.279 1.00 2.60 H new ATOM 0 HH TYR A 48 -6.516 -1.448 -3.091 1.00 2.11 H new ATOM 744 N ASP A 49 -12.231 -1.641 0.093 1.00 1.81 N ATOM 745 CA ASP A 49 -12.320 -2.986 -0.451 1.00 1.93 C ATOM 746 C ASP A 49 -12.072 -2.942 -1.969 1.00 2.01 C ATOM 747 O ASP A 49 -12.948 -2.471 -2.701 1.00 1.96 O ATOM 748 CB ASP A 49 -13.702 -3.555 -0.127 1.00 1.89 C ATOM 749 CG ASP A 49 -13.866 -4.975 -0.647 1.00 2.66 C ATOM 750 OD1 ASP A 49 -13.183 -5.321 -1.639 1.00 3.81 O ATOM 751 OD2 ASP A 49 -14.682 -5.684 -0.022 1.00 3.27 O ATOM 0 H ASP A 49 -12.687 -0.944 -0.496 1.00 1.81 H new ATOM 0 HA ASP A 49 -11.563 -3.632 -0.006 1.00 1.93 H new ATOM 0 HB2 ASP A 49 -13.856 -3.543 0.952 1.00 1.89 H new ATOM 0 HB3 ASP A 49 -14.469 -2.917 -0.565 1.00 1.89 H new ATOM 756 N PRO A 50 -10.917 -3.442 -2.451 1.00 2.16 N ATOM 757 CA PRO A 50 -10.509 -3.374 -3.842 1.00 2.23 C ATOM 758 C PRO A 50 -11.306 -4.291 -4.769 1.00 2.24 C ATOM 759 O PRO A 50 -10.898 -4.412 -5.925 1.00 2.31 O ATOM 760 CB PRO A 50 -9.025 -3.760 -3.861 1.00 2.36 C ATOM 761 CG PRO A 50 -8.911 -4.720 -2.687 1.00 2.41 C ATOM 762 CD PRO A 50 -9.908 -4.143 -1.683 1.00 2.26 C ATOM 0 HA PRO A 50 -10.694 -2.369 -4.222 1.00 2.23 H new ATOM 0 HB2 PRO A 50 -8.743 -4.235 -4.801 1.00 2.36 H new ATOM 0 HB3 PRO A 50 -8.379 -2.891 -3.737 1.00 2.36 H new ATOM 0 HG2 PRO A 50 -9.168 -5.740 -2.972 1.00 2.41 H new ATOM 0 HG3 PRO A 50 -7.899 -4.747 -2.283 1.00 2.41 H new ATOM 0 HD2 PRO A 50 -10.358 -4.936 -1.086 1.00 2.26 H new ATOM 0 HD3 PRO A 50 -9.410 -3.465 -0.989 1.00 2.26 H new ATOM 770 N GLU A 51 -12.391 -4.937 -4.313 1.00 2.27 N ATOM 771 CA GLU A 51 -13.313 -5.598 -5.231 1.00 2.40 C ATOM 772 C GLU A 51 -14.510 -4.699 -5.579 1.00 2.29 C ATOM 773 O GLU A 51 -15.221 -4.999 -6.538 1.00 2.45 O ATOM 774 CB GLU A 51 -13.689 -7.003 -4.717 1.00 2.49 C ATOM 775 CG GLU A 51 -14.979 -7.092 -3.888 1.00 3.12 C ATOM 776 CD GLU A 51 -15.246 -8.496 -3.353 1.00 3.18 C ATOM 777 OE1 GLU A 51 -14.271 -9.272 -3.232 1.00 3.07 O ATOM 778 OE2 GLU A 51 -16.437 -8.786 -3.107 1.00 4.00 O ATOM 0 H GLU A 51 -12.643 -5.012 -3.328 1.00 2.27 H new ATOM 0 HA GLU A 51 -12.808 -5.762 -6.183 1.00 2.40 H new ATOM 0 HB2 GLU A 51 -13.785 -7.669 -5.575 1.00 2.49 H new ATOM 0 HB3 GLU A 51 -12.865 -7.380 -4.112 1.00 2.49 H new ATOM 0 HG2 GLU A 51 -14.916 -6.396 -3.052 1.00 3.12 H new ATOM 0 HG3 GLU A 51 -15.822 -6.776 -4.502 1.00 3.12 H new ATOM 785 N VAL A 52 -14.737 -3.602 -4.836 1.00 2.08 N ATOM 786 CA VAL A 52 -15.883 -2.714 -5.056 1.00 2.02 C ATOM 787 C VAL A 52 -15.483 -1.236 -5.144 1.00 1.90 C ATOM 788 O VAL A 52 -16.011 -0.522 -5.993 1.00 2.03 O ATOM 789 CB VAL A 52 -16.993 -2.941 -4.008 1.00 2.00 C ATOM 790 CG1 VAL A 52 -17.742 -4.257 -4.243 1.00 2.78 C ATOM 791 CG2 VAL A 52 -16.471 -2.937 -2.570 1.00 2.13 C ATOM 0 H VAL A 52 -14.131 -3.310 -4.069 1.00 2.08 H new ATOM 0 HA VAL A 52 -16.291 -2.981 -6.031 1.00 2.02 H new ATOM 0 HB VAL A 52 -17.672 -2.098 -4.136 1.00 2.00 H new ATOM 0 HG11 VAL A 52 -18.514 -4.377 -3.483 1.00 2.78 H new ATOM 0 HG12 VAL A 52 -18.204 -4.242 -5.230 1.00 2.78 H new ATOM 0 HG13 VAL A 52 -17.042 -5.090 -4.183 1.00 2.78 H new ATOM 0 HG21 VAL A 52 -17.300 -3.101 -1.882 1.00 2.13 H new ATOM 0 HG22 VAL A 52 -15.735 -3.732 -2.448 1.00 2.13 H new ATOM 0 HG23 VAL A 52 -16.006 -1.975 -2.354 1.00 2.13 H new ATOM 801 N ILE A 53 -14.590 -0.758 -4.273 1.00 1.73 N ATOM 802 CA ILE A 53 -14.097 0.616 -4.281 1.00 1.64 C ATOM 803 C ILE A 53 -12.609 0.559 -4.601 1.00 1.65 C ATOM 804 O ILE A 53 -11.902 -0.296 -4.079 1.00 1.70 O ATOM 805 CB ILE A 53 -14.415 1.313 -2.943 1.00 1.46 C ATOM 806 CG1 ILE A 53 -13.879 2.757 -2.874 1.00 1.81 C ATOM 807 CG2 ILE A 53 -13.964 0.504 -1.729 1.00 1.29 C ATOM 808 CD1 ILE A 53 -12.452 2.914 -2.323 1.00 1.62 C ATOM 0 H ILE A 53 -14.184 -1.328 -3.531 1.00 1.73 H new ATOM 0 HA ILE A 53 -14.593 1.219 -5.041 1.00 1.64 H new ATOM 0 HB ILE A 53 -15.503 1.371 -2.907 1.00 1.46 H new ATOM 0 HG12 ILE A 53 -13.911 3.185 -3.876 1.00 1.81 H new ATOM 0 HG13 ILE A 53 -14.555 3.346 -2.254 1.00 1.81 H new ATOM 0 HG21 ILE A 53 -14.215 1.046 -0.817 1.00 1.29 H new ATOM 0 HG22 ILE A 53 -14.469 -0.462 -1.728 1.00 1.29 H new ATOM 0 HG23 ILE A 53 -12.886 0.350 -1.774 1.00 1.29 H new ATOM 0 HD11 ILE A 53 -12.177 3.969 -2.319 1.00 1.62 H new ATOM 0 HD12 ILE A 53 -12.410 2.524 -1.306 1.00 1.62 H new ATOM 0 HD13 ILE A 53 -11.756 2.360 -2.953 1.00 1.62 H new ATOM 820 N GLN A 54 -12.115 1.453 -5.458 1.00 1.62 N ATOM 821 CA GLN A 54 -10.731 1.434 -5.899 1.00 1.60 C ATOM 822 C GLN A 54 -10.081 2.754 -5.489 1.00 1.46 C ATOM 823 O GLN A 54 -10.763 3.775 -5.398 1.00 1.39 O ATOM 824 CB GLN A 54 -10.664 1.184 -7.415 1.00 1.65 C ATOM 825 CG GLN A 54 -11.440 -0.056 -7.876 1.00 2.35 C ATOM 826 CD GLN A 54 -11.126 -1.295 -7.045 1.00 2.50 C ATOM 827 OE1 GLN A 54 -12.042 -1.920 -6.527 1.00 3.63 O ATOM 828 NE2 GLN A 54 -9.842 -1.637 -6.898 1.00 2.12 N ATOM 0 H GLN A 54 -12.668 2.209 -5.863 1.00 1.62 H new ATOM 0 HA GLN A 54 -10.180 0.620 -5.428 1.00 1.60 H new ATOM 0 HB2 GLN A 54 -11.054 2.059 -7.935 1.00 1.65 H new ATOM 0 HB3 GLN A 54 -9.620 1.077 -7.710 1.00 1.65 H new ATOM 0 HG2 GLN A 54 -12.509 0.150 -7.822 1.00 2.35 H new ATOM 0 HG3 GLN A 54 -11.206 -0.257 -8.921 1.00 2.35 H new ATOM 0 HE21 GLN A 54 -9.112 -1.085 -7.349 1.00 2.12 H new ATOM 0 HE22 GLN A 54 -9.592 -2.450 -6.335 1.00 2.12 H new ATOM 837 N PRO A 55 -8.768 2.752 -5.220 1.00 1.43 N ATOM 838 CA PRO A 55 -8.081 3.913 -4.687 1.00 1.33 C ATOM 839 C PRO A 55 -8.173 5.105 -5.648 1.00 1.26 C ATOM 840 O PRO A 55 -8.309 6.249 -5.215 1.00 1.20 O ATOM 841 CB PRO A 55 -6.650 3.433 -4.427 1.00 1.37 C ATOM 842 CG PRO A 55 -6.458 2.254 -5.373 1.00 1.45 C ATOM 843 CD PRO A 55 -7.849 1.635 -5.380 1.00 1.53 C ATOM 0 HA PRO A 55 -8.528 4.289 -3.767 1.00 1.33 H new ATOM 0 HB2 PRO A 55 -5.925 4.222 -4.626 1.00 1.37 H new ATOM 0 HB3 PRO A 55 -6.516 3.132 -3.388 1.00 1.37 H new ATOM 0 HG2 PRO A 55 -6.147 2.574 -6.368 1.00 1.45 H new ATOM 0 HG3 PRO A 55 -5.702 1.558 -5.011 1.00 1.45 H new ATOM 0 HD2 PRO A 55 -8.037 1.101 -6.312 1.00 1.53 H new ATOM 0 HD3 PRO A 55 -7.962 0.914 -4.571 1.00 1.53 H new ATOM 851 N LEU A 56 -8.136 4.847 -6.959 1.00 1.31 N ATOM 852 CA LEU A 56 -8.279 5.911 -7.946 1.00 1.30 C ATOM 853 C LEU A 56 -9.602 6.659 -7.774 1.00 1.29 C ATOM 854 O LEU A 56 -9.618 7.885 -7.775 1.00 1.22 O ATOM 855 CB LEU A 56 -8.039 5.435 -9.389 1.00 1.49 C ATOM 856 CG LEU A 56 -9.138 4.621 -10.095 1.00 2.35 C ATOM 857 CD1 LEU A 56 -9.034 4.807 -11.613 1.00 3.52 C ATOM 858 CD2 LEU A 56 -9.032 3.129 -9.773 1.00 2.59 C ATOM 0 H LEU A 56 -8.009 3.916 -7.355 1.00 1.31 H new ATOM 0 HA LEU A 56 -7.482 6.629 -7.752 1.00 1.30 H new ATOM 0 HB2 LEU A 56 -7.839 6.317 -9.998 1.00 1.49 H new ATOM 0 HB3 LEU A 56 -7.130 4.833 -9.391 1.00 1.49 H new ATOM 0 HG LEU A 56 -10.098 4.988 -9.733 1.00 2.35 H new ATOM 0 HD11 LEU A 56 -9.815 4.228 -12.105 1.00 3.52 H new ATOM 0 HD12 LEU A 56 -9.155 5.862 -11.859 1.00 3.52 H new ATOM 0 HD13 LEU A 56 -8.058 4.464 -11.956 1.00 3.52 H new ATOM 0 HD21 LEU A 56 -9.825 2.588 -10.290 1.00 2.59 H new ATOM 0 HD22 LEU A 56 -8.063 2.754 -10.102 1.00 2.59 H new ATOM 0 HD23 LEU A 56 -9.133 2.981 -8.698 1.00 2.59 H new ATOM 870 N GLU A 57 -10.697 5.922 -7.593 1.00 1.42 N ATOM 871 CA GLU A 57 -12.031 6.486 -7.413 1.00 1.46 C ATOM 872 C GLU A 57 -12.047 7.415 -6.197 1.00 1.36 C ATOM 873 O GLU A 57 -12.534 8.544 -6.279 1.00 1.37 O ATOM 874 CB GLU A 57 -13.075 5.368 -7.270 1.00 1.63 C ATOM 875 CG GLU A 57 -13.055 4.372 -8.440 1.00 1.84 C ATOM 876 CD GLU A 57 -13.342 5.034 -9.781 1.00 2.59 C ATOM 877 OE1 GLU A 57 -14.408 5.677 -9.881 1.00 3.62 O ATOM 878 OE2 GLU A 57 -12.489 4.883 -10.680 1.00 3.10 O ATOM 0 H GLU A 57 -10.681 4.902 -7.567 1.00 1.42 H new ATOM 0 HA GLU A 57 -12.290 7.071 -8.295 1.00 1.46 H new ATOM 0 HB2 GLU A 57 -12.897 4.830 -6.339 1.00 1.63 H new ATOM 0 HB3 GLU A 57 -14.067 5.813 -7.196 1.00 1.63 H new ATOM 0 HG2 GLU A 57 -12.080 3.886 -8.481 1.00 1.84 H new ATOM 0 HG3 GLU A 57 -13.794 3.591 -8.260 1.00 1.84 H new ATOM 885 N ILE A 58 -11.435 6.958 -5.096 1.00 1.30 N ATOM 886 CA ILE A 58 -11.211 7.757 -3.903 1.00 1.16 C ATOM 887 C ILE A 58 -10.571 9.056 -4.380 1.00 1.07 C ATOM 888 O ILE A 58 -11.100 10.144 -4.161 1.00 1.08 O ATOM 889 CB ILE A 58 -10.354 6.961 -2.875 1.00 1.10 C ATOM 890 CG1 ILE A 58 -11.191 6.631 -1.629 1.00 1.20 C ATOM 891 CG2 ILE A 58 -9.056 7.667 -2.421 1.00 1.02 C ATOM 892 CD1 ILE A 58 -10.552 5.538 -0.759 1.00 1.14 C ATOM 0 H ILE A 58 -11.079 6.005 -5.017 1.00 1.30 H new ATOM 0 HA ILE A 58 -12.131 7.993 -3.369 1.00 1.16 H new ATOM 0 HB ILE A 58 -10.049 6.060 -3.407 1.00 1.10 H new ATOM 0 HG12 ILE A 58 -11.320 7.535 -1.033 1.00 1.20 H new ATOM 0 HG13 ILE A 58 -12.185 6.308 -1.939 1.00 1.20 H new ATOM 0 HG21 ILE A 58 -8.529 7.035 -1.706 1.00 1.02 H new ATOM 0 HG22 ILE A 58 -8.418 7.847 -3.286 1.00 1.02 H new ATOM 0 HG23 ILE A 58 -9.305 8.618 -1.950 1.00 1.02 H new ATOM 0 HD11 ILE A 58 -11.186 5.345 0.107 1.00 1.14 H new ATOM 0 HD12 ILE A 58 -10.447 4.623 -1.343 1.00 1.14 H new ATOM 0 HD13 ILE A 58 -9.569 5.869 -0.423 1.00 1.14 H new ATOM 904 N ALA A 59 -9.446 8.927 -5.086 1.00 1.05 N ATOM 905 CA ALA A 59 -8.620 10.060 -5.437 1.00 1.02 C ATOM 906 C ALA A 59 -9.395 11.064 -6.291 1.00 1.13 C ATOM 907 O ALA A 59 -9.352 12.265 -6.028 1.00 1.15 O ATOM 908 CB ALA A 59 -7.320 9.587 -6.094 1.00 1.06 C ATOM 0 H ALA A 59 -9.092 8.033 -5.425 1.00 1.05 H new ATOM 0 HA ALA A 59 -8.340 10.592 -4.528 1.00 1.02 H new ATOM 0 HB1 ALA A 59 -6.708 10.451 -6.353 1.00 1.06 H new ATOM 0 HB2 ALA A 59 -6.773 8.949 -5.400 1.00 1.06 H new ATOM 0 HB3 ALA A 59 -7.553 9.024 -6.997 1.00 1.06 H new ATOM 914 N GLN A 60 -10.135 10.570 -7.287 1.00 1.26 N ATOM 915 CA GLN A 60 -11.020 11.372 -8.106 1.00 1.41 C ATOM 916 C GLN A 60 -12.023 12.114 -7.230 1.00 1.36 C ATOM 917 O GLN A 60 -12.248 13.304 -7.434 1.00 1.39 O ATOM 918 CB GLN A 60 -11.741 10.487 -9.134 1.00 1.57 C ATOM 919 CG GLN A 60 -10.848 9.844 -10.209 1.00 1.80 C ATOM 920 CD GLN A 60 -9.937 10.855 -10.896 1.00 2.00 C ATOM 921 OE1 GLN A 60 -8.817 11.171 -10.255 1.00 2.85 O flip ATOM 922 NE2 GLN A 60 -10.242 11.355 -11.973 1.00 1.90 N flip ATOM 0 H GLN A 60 -10.129 9.583 -7.544 1.00 1.26 H new ATOM 0 HA GLN A 60 -10.428 12.110 -8.647 1.00 1.41 H new ATOM 0 HB2 GLN A 60 -12.262 9.693 -8.599 1.00 1.57 H new ATOM 0 HB3 GLN A 60 -12.501 11.088 -9.633 1.00 1.57 H new ATOM 0 HG2 GLN A 60 -10.239 9.064 -9.751 1.00 1.80 H new ATOM 0 HG3 GLN A 60 -11.477 9.360 -10.957 1.00 1.80 H new ATOM 0 HE21 GLN A 60 -11.112 11.085 -12.433 1.00 1.90 H new ATOM 0 HE22 GLN A 60 -9.626 12.041 -12.409 1.00 1.90 H new ATOM 931 N PHE A 61 -12.610 11.436 -6.241 1.00 1.30 N ATOM 932 CA PHE A 61 -13.596 12.073 -5.387 1.00 1.32 C ATOM 933 C PHE A 61 -12.928 13.196 -4.589 1.00 1.16 C ATOM 934 O PHE A 61 -13.454 14.301 -4.491 1.00 1.23 O ATOM 935 CB PHE A 61 -14.294 11.022 -4.508 1.00 1.35 C ATOM 936 CG PHE A 61 -15.744 11.341 -4.195 1.00 1.73 C ATOM 937 CD1 PHE A 61 -16.667 11.468 -5.250 1.00 2.87 C ATOM 938 CD2 PHE A 61 -16.209 11.299 -2.869 1.00 2.32 C ATOM 939 CE1 PHE A 61 -18.036 11.625 -4.979 1.00 3.19 C ATOM 940 CE2 PHE A 61 -17.583 11.424 -2.597 1.00 2.73 C ATOM 941 CZ PHE A 61 -18.496 11.604 -3.651 1.00 2.64 C ATOM 0 H PHE A 61 -12.418 10.459 -6.019 1.00 1.30 H new ATOM 0 HA PHE A 61 -14.381 12.534 -5.986 1.00 1.32 H new ATOM 0 HB2 PHE A 61 -14.246 10.055 -5.009 1.00 1.35 H new ATOM 0 HB3 PHE A 61 -13.744 10.924 -3.572 1.00 1.35 H new ATOM 0 HD1 PHE A 61 -16.321 11.445 -6.273 1.00 2.87 H new ATOM 0 HD2 PHE A 61 -15.509 11.170 -2.057 1.00 2.32 H new ATOM 0 HE1 PHE A 61 -18.735 11.762 -5.791 1.00 3.19 H new ATOM 0 HE2 PHE A 61 -17.937 11.382 -1.578 1.00 2.73 H new ATOM 0 HZ PHE A 61 -19.548 11.726 -3.441 1.00 2.64 H new ATOM 951 N ILE A 62 -11.728 12.937 -4.062 1.00 1.01 N ATOM 952 CA ILE A 62 -10.960 13.939 -3.331 1.00 0.93 C ATOM 953 C ILE A 62 -10.658 15.143 -4.241 1.00 1.04 C ATOM 954 O ILE A 62 -10.800 16.297 -3.829 1.00 1.07 O ATOM 955 CB ILE A 62 -9.699 13.299 -2.707 1.00 0.77 C ATOM 956 CG1 ILE A 62 -9.995 12.069 -1.829 1.00 1.21 C ATOM 957 CG2 ILE A 62 -8.950 14.310 -1.838 1.00 1.50 C ATOM 958 CD1 ILE A 62 -11.314 12.136 -1.071 1.00 2.50 C ATOM 0 H ILE A 62 -11.266 12.030 -4.132 1.00 1.01 H new ATOM 0 HA ILE A 62 -11.548 14.325 -2.498 1.00 0.93 H new ATOM 0 HB ILE A 62 -9.098 12.979 -3.558 1.00 0.77 H new ATOM 0 HG12 ILE A 62 -9.998 11.180 -2.460 1.00 1.21 H new ATOM 0 HG13 ILE A 62 -9.184 11.947 -1.111 1.00 1.21 H new ATOM 0 HG21 ILE A 62 -8.066 13.837 -1.409 1.00 1.50 H new ATOM 0 HG22 ILE A 62 -8.646 15.160 -2.449 1.00 1.50 H new ATOM 0 HG23 ILE A 62 -9.603 14.654 -1.036 1.00 1.50 H new ATOM 0 HD11 ILE A 62 -11.440 11.229 -0.479 1.00 2.50 H new ATOM 0 HD12 ILE A 62 -11.310 13.003 -0.410 1.00 2.50 H new ATOM 0 HD13 ILE A 62 -12.137 12.224 -1.780 1.00 2.50 H new ATOM 970 N GLN A 63 -10.268 14.879 -5.489 1.00 1.11 N ATOM 971 CA GLN A 63 -10.004 15.910 -6.486 1.00 1.21 C ATOM 972 C GLN A 63 -11.265 16.713 -6.817 1.00 1.34 C ATOM 973 O GLN A 63 -11.188 17.936 -6.904 1.00 1.41 O ATOM 974 CB GLN A 63 -9.350 15.272 -7.718 1.00 1.28 C ATOM 975 CG GLN A 63 -7.894 14.906 -7.389 1.00 1.44 C ATOM 976 CD GLN A 63 -7.406 13.660 -8.122 1.00 1.62 C ATOM 977 OE1 GLN A 63 -6.760 12.754 -7.391 1.00 2.92 O flip ATOM 978 NE2 GLN A 63 -7.600 13.503 -9.325 1.00 1.87 N flip ATOM 0 H GLN A 63 -10.126 13.931 -5.837 1.00 1.11 H new ATOM 0 HA GLN A 63 -9.302 16.637 -6.078 1.00 1.21 H new ATOM 0 HB2 GLN A 63 -9.902 14.381 -8.017 1.00 1.28 H new ATOM 0 HB3 GLN A 63 -9.382 15.964 -8.560 1.00 1.28 H new ATOM 0 HG2 GLN A 63 -7.248 15.746 -7.645 1.00 1.44 H new ATOM 0 HG3 GLN A 63 -7.800 14.748 -6.315 1.00 1.44 H new ATOM 0 HE21 GLN A 63 -8.098 14.215 -9.858 1.00 1.87 H new ATOM 0 HE22 GLN A 63 -7.263 12.660 -9.790 1.00 1.87 H new ATOM 987 N ASP A 64 -12.419 16.057 -6.969 1.00 1.38 N ATOM 988 CA ASP A 64 -13.694 16.733 -7.186 1.00 1.52 C ATOM 989 C ASP A 64 -13.999 17.654 -6.002 1.00 1.51 C ATOM 990 O ASP A 64 -14.252 18.845 -6.173 1.00 1.63 O ATOM 991 CB ASP A 64 -14.805 15.696 -7.384 1.00 1.56 C ATOM 992 CG ASP A 64 -16.152 16.378 -7.577 1.00 1.79 C ATOM 993 OD1 ASP A 64 -16.820 16.612 -6.547 1.00 2.52 O ATOM 994 OD2 ASP A 64 -16.487 16.651 -8.749 1.00 2.61 O ATOM 0 H ASP A 64 -12.492 15.040 -6.944 1.00 1.38 H new ATOM 0 HA ASP A 64 -13.637 17.344 -8.087 1.00 1.52 H new ATOM 0 HB2 ASP A 64 -14.579 15.075 -8.251 1.00 1.56 H new ATOM 0 HB3 ASP A 64 -14.848 15.033 -6.520 1.00 1.56 H new ATOM 999 N LEU A 65 -13.905 17.099 -4.790 1.00 1.37 N ATOM 1000 CA LEU A 65 -14.078 17.842 -3.550 1.00 1.33 C ATOM 1001 C LEU A 65 -13.106 19.026 -3.460 1.00 1.34 C ATOM 1002 O LEU A 65 -13.461 20.070 -2.915 1.00 1.42 O ATOM 1003 CB LEU A 65 -13.948 16.890 -2.352 1.00 1.21 C ATOM 1004 CG LEU A 65 -15.225 16.049 -2.163 1.00 1.34 C ATOM 1005 CD1 LEU A 65 -14.915 14.724 -1.453 1.00 1.84 C ATOM 1006 CD2 LEU A 65 -16.280 16.845 -1.379 1.00 1.76 C ATOM 0 H LEU A 65 -13.704 16.109 -4.647 1.00 1.37 H new ATOM 0 HA LEU A 65 -15.080 18.271 -3.534 1.00 1.33 H new ATOM 0 HB2 LEU A 65 -13.094 16.229 -2.501 1.00 1.21 H new ATOM 0 HB3 LEU A 65 -13.752 17.465 -1.447 1.00 1.21 H new ATOM 0 HG LEU A 65 -15.625 15.816 -3.150 1.00 1.34 H new ATOM 0 HD11 LEU A 65 -15.835 14.151 -1.333 1.00 1.84 H new ATOM 0 HD12 LEU A 65 -14.205 14.150 -2.048 1.00 1.84 H new ATOM 0 HD13 LEU A 65 -14.485 14.929 -0.473 1.00 1.84 H new ATOM 0 HD21 LEU A 65 -17.176 16.237 -1.254 1.00 1.76 H new ATOM 0 HD22 LEU A 65 -15.882 17.110 -0.400 1.00 1.76 H new ATOM 0 HD23 LEU A 65 -16.532 17.753 -1.927 1.00 1.76 H new ATOM 1018 N GLY A 66 -11.890 18.874 -3.992 1.00 1.30 N ATOM 1019 CA GLY A 66 -10.959 19.971 -4.235 1.00 1.34 C ATOM 1020 C GLY A 66 -9.726 19.849 -3.351 1.00 1.20 C ATOM 1021 O GLY A 66 -9.208 20.846 -2.854 1.00 1.23 O ATOM 0 H GLY A 66 -11.521 17.965 -4.270 1.00 1.30 H new ATOM 0 HA2 GLY A 66 -10.660 19.973 -5.283 1.00 1.34 H new ATOM 0 HA3 GLY A 66 -11.455 20.922 -4.043 1.00 1.34 H new ATOM 1025 N PHE A 67 -9.270 18.613 -3.145 1.00 1.08 N ATOM 1026 CA PHE A 67 -8.131 18.256 -2.322 1.00 0.93 C ATOM 1027 C PHE A 67 -7.282 17.276 -3.134 1.00 0.83 C ATOM 1028 O PHE A 67 -7.763 16.757 -4.140 1.00 0.95 O ATOM 1029 CB PHE A 67 -8.671 17.570 -1.062 1.00 0.81 C ATOM 1030 CG PHE A 67 -9.208 18.493 0.009 1.00 0.82 C ATOM 1031 CD1 PHE A 67 -10.459 19.119 -0.151 1.00 2.01 C ATOM 1032 CD2 PHE A 67 -8.513 18.625 1.223 1.00 2.03 C ATOM 1033 CE1 PHE A 67 -10.984 19.915 0.879 1.00 2.16 C ATOM 1034 CE2 PHE A 67 -9.080 19.353 2.279 1.00 1.99 C ATOM 1035 CZ PHE A 67 -10.311 20.000 2.108 1.00 1.06 C ATOM 0 H PHE A 67 -9.712 17.799 -3.572 1.00 1.08 H new ATOM 0 HA PHE A 67 -7.532 19.121 -2.038 1.00 0.93 H new ATOM 0 HB2 PHE A 67 -9.465 16.884 -1.356 1.00 0.81 H new ATOM 0 HB3 PHE A 67 -7.873 16.967 -0.629 1.00 0.81 H new ATOM 0 HD1 PHE A 67 -11.015 18.987 -1.067 1.00 2.01 H new ATOM 0 HD2 PHE A 67 -7.543 18.166 1.343 1.00 2.03 H new ATOM 0 HE1 PHE A 67 -11.903 20.461 0.726 1.00 2.16 H new ATOM 0 HE2 PHE A 67 -8.566 19.415 3.227 1.00 1.99 H new ATOM 0 HZ PHE A 67 -10.742 20.564 2.922 1.00 1.06 H new ATOM 1045 N GLU A 68 -6.064 16.960 -2.683 1.00 0.73 N ATOM 1046 CA GLU A 68 -5.296 15.873 -3.266 1.00 0.69 C ATOM 1047 C GLU A 68 -5.144 14.755 -2.239 1.00 0.65 C ATOM 1048 O GLU A 68 -4.718 14.999 -1.109 1.00 0.73 O ATOM 1049 CB GLU A 68 -3.936 16.385 -3.734 1.00 0.77 C ATOM 1050 CG GLU A 68 -4.061 17.450 -4.830 1.00 0.92 C ATOM 1051 CD GLU A 68 -2.690 17.798 -5.395 1.00 1.24 C ATOM 1052 OE1 GLU A 68 -2.023 16.853 -5.867 1.00 2.44 O ATOM 1053 OE2 GLU A 68 -2.324 18.990 -5.317 1.00 2.09 O ATOM 0 H GLU A 68 -5.596 17.445 -1.917 1.00 0.73 H new ATOM 0 HA GLU A 68 -5.819 15.476 -4.136 1.00 0.69 H new ATOM 0 HB2 GLU A 68 -3.396 16.803 -2.885 1.00 0.77 H new ATOM 0 HB3 GLU A 68 -3.345 15.549 -4.108 1.00 0.77 H new ATOM 0 HG2 GLU A 68 -4.708 17.085 -5.628 1.00 0.92 H new ATOM 0 HG3 GLU A 68 -4.531 18.345 -4.423 1.00 0.92 H new ATOM 1060 N ALA A 69 -5.468 13.525 -2.644 1.00 0.63 N ATOM 1061 CA ALA A 69 -5.155 12.321 -1.895 1.00 0.63 C ATOM 1062 C ALA A 69 -3.892 11.746 -2.509 1.00 0.64 C ATOM 1063 O ALA A 69 -3.875 11.445 -3.700 1.00 0.75 O ATOM 1064 CB ALA A 69 -6.287 11.299 -2.024 1.00 0.79 C ATOM 0 H ALA A 69 -5.963 13.342 -3.517 1.00 0.63 H new ATOM 0 HA ALA A 69 -5.026 12.550 -0.837 1.00 0.63 H new ATOM 0 HB1 ALA A 69 -6.035 10.403 -1.456 1.00 0.79 H new ATOM 0 HB2 ALA A 69 -7.210 11.728 -1.634 1.00 0.79 H new ATOM 0 HB3 ALA A 69 -6.423 11.037 -3.073 1.00 0.79 H new ATOM 1070 N ALA A 70 -2.838 11.616 -1.711 1.00 0.66 N ATOM 1071 CA ALA A 70 -1.578 11.055 -2.159 1.00 0.75 C ATOM 1072 C ALA A 70 -1.168 10.013 -1.140 1.00 0.73 C ATOM 1073 O ALA A 70 -1.286 10.238 0.063 1.00 0.72 O ATOM 1074 CB ALA A 70 -0.559 12.184 -2.282 1.00 0.89 C ATOM 0 H ALA A 70 -2.838 11.900 -0.731 1.00 0.66 H new ATOM 0 HA ALA A 70 -1.654 10.579 -3.137 1.00 0.75 H new ATOM 0 HB1 ALA A 70 0.395 11.778 -2.618 1.00 0.89 H new ATOM 0 HB2 ALA A 70 -0.915 12.919 -3.004 1.00 0.89 H new ATOM 0 HB3 ALA A 70 -0.428 12.663 -1.312 1.00 0.89 H new ATOM 1080 N VAL A 71 -0.751 8.846 -1.624 1.00 0.90 N ATOM 1081 CA VAL A 71 -0.426 7.744 -0.760 1.00 0.91 C ATOM 1082 C VAL A 71 0.991 7.924 -0.265 1.00 1.08 C ATOM 1083 O VAL A 71 1.816 8.567 -0.911 1.00 1.22 O ATOM 1084 CB VAL A 71 -0.684 6.395 -1.440 1.00 1.12 C ATOM 1085 CG1 VAL A 71 -0.869 5.275 -0.419 1.00 2.17 C ATOM 1086 CG2 VAL A 71 -1.954 6.429 -2.288 1.00 2.49 C ATOM 0 H VAL A 71 -0.634 8.651 -2.618 1.00 0.90 H new ATOM 0 HA VAL A 71 -1.084 7.737 0.109 1.00 0.91 H new ATOM 0 HB VAL A 71 0.191 6.207 -2.062 1.00 1.12 H new ATOM 0 HG11 VAL A 71 -1.050 4.334 -0.939 1.00 2.17 H new ATOM 0 HG12 VAL A 71 0.031 5.186 0.190 1.00 2.17 H new ATOM 0 HG13 VAL A 71 -1.720 5.504 0.222 1.00 2.17 H new ATOM 0 HG21 VAL A 71 -2.106 5.456 -2.755 1.00 2.49 H new ATOM 0 HG22 VAL A 71 -2.809 6.664 -1.654 1.00 2.49 H new ATOM 0 HG23 VAL A 71 -1.855 7.191 -3.061 1.00 2.49 H new ATOM 1096 N MET A 72 1.257 7.340 0.895 1.00 1.20 N ATOM 1097 CA MET A 72 2.552 7.447 1.529 1.00 1.54 C ATOM 1098 C MET A 72 3.616 6.597 0.809 1.00 1.93 C ATOM 1099 O MET A 72 4.786 6.631 1.177 1.00 2.60 O ATOM 1100 CB MET A 72 2.349 7.095 2.999 1.00 1.71 C ATOM 1101 CG MET A 72 2.256 5.595 3.275 1.00 2.74 C ATOM 1102 SD MET A 72 3.593 4.942 4.317 1.00 3.72 S ATOM 1103 CE MET A 72 2.634 4.436 5.764 1.00 4.70 C ATOM 0 H MET A 72 0.581 6.782 1.417 1.00 1.20 H new ATOM 0 HA MET A 72 2.951 8.459 1.461 1.00 1.54 H new ATOM 0 HB2 MET A 72 3.174 7.509 3.578 1.00 1.71 H new ATOM 0 HB3 MET A 72 1.438 7.576 3.354 1.00 1.71 H new ATOM 0 HG2 MET A 72 1.301 5.385 3.756 1.00 2.74 H new ATOM 0 HG3 MET A 72 2.259 5.062 2.324 1.00 2.74 H new ATOM 0 HE1 MET A 72 3.302 4.009 6.512 1.00 4.70 H new ATOM 0 HE2 MET A 72 2.125 5.303 6.185 1.00 4.70 H new ATOM 0 HE3 MET A 72 1.896 3.690 5.469 1.00 4.70 H new ATOM 1113 N GLU A 73 3.174 5.822 -0.194 1.00 1.81 N ATOM 1114 CA GLU A 73 3.931 4.966 -1.104 1.00 2.13 C ATOM 1115 C GLU A 73 3.988 3.515 -0.590 1.00 2.45 C ATOM 1116 O GLU A 73 4.664 2.664 -1.164 1.00 2.56 O ATOM 1117 CB GLU A 73 5.296 5.580 -1.462 1.00 2.52 C ATOM 1118 CG GLU A 73 5.729 5.222 -2.890 1.00 3.19 C ATOM 1119 CD GLU A 73 7.097 5.801 -3.240 1.00 3.65 C ATOM 1120 OE1 GLU A 73 7.268 7.021 -3.031 1.00 4.30 O ATOM 1121 OE2 GLU A 73 7.941 5.014 -3.719 1.00 4.12 O ATOM 0 H GLU A 73 2.177 5.779 -0.404 1.00 1.81 H new ATOM 0 HA GLU A 73 3.399 4.910 -2.054 1.00 2.13 H new ATOM 0 HB2 GLU A 73 5.244 6.664 -1.360 1.00 2.52 H new ATOM 0 HB3 GLU A 73 6.048 5.229 -0.756 1.00 2.52 H new ATOM 0 HG2 GLU A 73 5.757 4.138 -2.998 1.00 3.19 H new ATOM 0 HG3 GLU A 73 4.987 5.594 -3.597 1.00 3.19 H new ATOM 1128 N ASP A 74 3.233 3.228 0.475 1.00 3.07 N ATOM 1129 CA ASP A 74 2.939 1.895 0.979 1.00 3.55 C ATOM 1130 C ASP A 74 1.648 1.426 0.335 1.00 2.84 C ATOM 1131 O ASP A 74 1.674 0.570 -0.540 1.00 3.62 O ATOM 1132 CB ASP A 74 2.807 1.928 2.512 1.00 4.94 C ATOM 1133 CG ASP A 74 1.799 0.935 3.072 1.00 6.19 C ATOM 1134 OD1 ASP A 74 1.970 -0.269 2.821 1.00 7.15 O ATOM 1135 OD2 ASP A 74 0.789 1.433 3.612 1.00 6.80 O ATOM 0 H ASP A 74 2.791 3.959 1.032 1.00 3.07 H new ATOM 0 HA ASP A 74 3.746 1.205 0.732 1.00 3.55 H new ATOM 0 HB2 ASP A 74 3.783 1.727 2.954 1.00 4.94 H new ATOM 0 HB3 ASP A 74 2.519 2.933 2.819 1.00 4.94 H new ATOM 1140 N TYR A 75 0.516 1.950 0.810 1.00 2.09 N ATOM 1141 CA TYR A 75 -0.804 1.363 0.642 1.00 2.17 C ATOM 1142 C TYR A 75 -0.965 -0.070 1.195 1.00 2.20 C ATOM 1143 O TYR A 75 -2.009 -0.387 1.761 1.00 3.13 O ATOM 1144 CB TYR A 75 -1.254 1.531 -0.816 1.00 2.37 C ATOM 1145 CG TYR A 75 -1.057 0.378 -1.775 1.00 2.49 C ATOM 1146 CD1 TYR A 75 -1.857 -0.770 -1.675 1.00 3.44 C ATOM 1147 CD2 TYR A 75 -0.116 0.484 -2.817 1.00 3.09 C ATOM 1148 CE1 TYR A 75 -1.648 -1.848 -2.541 1.00 4.17 C ATOM 1149 CE2 TYR A 75 0.034 -0.561 -3.739 1.00 4.14 C ATOM 1150 CZ TYR A 75 -0.728 -1.726 -3.604 1.00 4.43 C ATOM 1151 OH TYR A 75 -0.479 -2.752 -4.466 1.00 5.57 O ATOM 0 H TYR A 75 0.498 2.822 1.338 1.00 2.09 H new ATOM 0 HA TYR A 75 -1.489 1.920 1.281 1.00 2.17 H new ATOM 0 HB2 TYR A 75 -2.316 1.776 -0.808 1.00 2.37 H new ATOM 0 HB3 TYR A 75 -0.731 2.395 -1.226 1.00 2.37 H new ATOM 0 HD1 TYR A 75 -2.635 -0.821 -0.928 1.00 3.44 H new ATOM 0 HD2 TYR A 75 0.492 1.372 -2.906 1.00 3.09 H new ATOM 0 HE1 TYR A 75 -2.189 -2.771 -2.397 1.00 4.17 H new ATOM 0 HE2 TYR A 75 0.737 -0.467 -4.553 1.00 4.14 H new ATOM 0 HH TYR A 75 0.185 -2.469 -5.129 1.00 5.57 H new ATOM 1161 N ALA A 76 -0.008 -0.965 0.942 1.00 2.10 N ATOM 1162 CA ALA A 76 -0.179 -2.400 0.957 1.00 3.03 C ATOM 1163 C ALA A 76 0.203 -3.052 2.276 1.00 2.20 C ATOM 1164 O ALA A 76 1.364 -3.391 2.508 1.00 3.25 O ATOM 1165 CB ALA A 76 0.672 -3.010 -0.143 1.00 4.95 C ATOM 0 H ALA A 76 0.946 -0.686 0.712 1.00 2.10 H new ATOM 0 HA ALA A 76 -1.242 -2.586 0.805 1.00 3.03 H new ATOM 0 HB1 ALA A 76 0.549 -4.093 -0.139 1.00 4.95 H new ATOM 0 HB2 ALA A 76 0.359 -2.612 -1.108 1.00 4.95 H new ATOM 0 HB3 ALA A 76 1.720 -2.763 0.028 1.00 4.95 H new ATOM 1171 N GLY A 77 -0.800 -3.370 3.087 1.00 1.64 N ATOM 1172 CA GLY A 77 -0.538 -3.962 4.375 1.00 2.22 C ATOM 1173 C GLY A 77 -1.809 -4.536 4.972 1.00 2.64 C ATOM 1174 O GLY A 77 -2.279 -4.056 6.002 1.00 3.36 O ATOM 0 H GLY A 77 -1.787 -3.227 2.871 1.00 1.64 H new ATOM 0 HA2 GLY A 77 0.209 -4.749 4.273 1.00 2.22 H new ATOM 0 HA3 GLY A 77 -0.121 -3.212 5.047 1.00 2.22 H new ATOM 1178 N SER A 78 -2.382 -5.543 4.304 1.00 2.70 N ATOM 1179 CA SER A 78 -3.655 -6.115 4.719 1.00 3.38 C ATOM 1180 C SER A 78 -3.736 -7.617 4.422 1.00 3.50 C ATOM 1181 O SER A 78 -3.794 -8.407 5.362 1.00 4.70 O ATOM 1182 CB SER A 78 -4.810 -5.305 4.105 1.00 3.63 C ATOM 1183 OG SER A 78 -5.675 -4.826 5.122 1.00 4.52 O ATOM 0 H SER A 78 -1.979 -5.975 3.473 1.00 2.70 H new ATOM 0 HA SER A 78 -3.742 -6.041 5.803 1.00 3.38 H new ATOM 0 HB2 SER A 78 -4.411 -4.467 3.534 1.00 3.63 H new ATOM 0 HB3 SER A 78 -5.369 -5.929 3.407 1.00 3.63 H new ATOM 0 HG SER A 78 -6.281 -5.544 5.401 1.00 4.52 H new ATOM 1189 N ASP A 79 -3.767 -8.012 3.145 1.00 2.54 N ATOM 1190 CA ASP A 79 -4.079 -9.390 2.749 1.00 2.66 C ATOM 1191 C ASP A 79 -3.869 -9.494 1.244 1.00 2.24 C ATOM 1192 O ASP A 79 -4.452 -8.697 0.509 1.00 2.54 O ATOM 1193 CB ASP A 79 -5.554 -9.726 3.090 1.00 3.27 C ATOM 1194 CG ASP A 79 -5.773 -11.069 3.779 1.00 4.28 C ATOM 1195 OD1 ASP A 79 -4.818 -11.873 3.821 1.00 4.97 O ATOM 1196 OD2 ASP A 79 -6.921 -11.270 4.238 1.00 4.95 O ATOM 0 H ASP A 79 -3.578 -7.389 2.360 1.00 2.54 H new ATOM 0 HA ASP A 79 -3.436 -10.090 3.282 1.00 2.66 H new ATOM 0 HB2 ASP A 79 -5.950 -8.938 3.731 1.00 3.27 H new ATOM 0 HB3 ASP A 79 -6.136 -9.710 2.168 1.00 3.27 H new ATOM 1201 N GLY A 80 -2.980 -10.367 0.755 1.00 2.16 N ATOM 1202 CA GLY A 80 -2.699 -10.516 -0.649 1.00 2.05 C ATOM 1203 C GLY A 80 -1.719 -9.439 -1.055 1.00 1.83 C ATOM 1204 O GLY A 80 -0.641 -9.735 -1.561 1.00 2.01 O ATOM 0 H GLY A 80 -2.435 -10.993 1.347 1.00 2.16 H new ATOM 0 HA2 GLY A 80 -2.283 -11.503 -0.850 1.00 2.05 H new ATOM 0 HA3 GLY A 80 -3.617 -10.433 -1.231 1.00 2.05 H new ATOM 1208 N ASN A 81 -2.073 -8.184 -0.784 1.00 1.63 N ATOM 1209 CA ASN A 81 -1.293 -7.044 -1.166 1.00 1.51 C ATOM 1210 C ASN A 81 -0.582 -6.554 0.073 1.00 1.46 C ATOM 1211 O ASN A 81 -1.199 -5.951 0.952 1.00 1.77 O ATOM 1212 CB ASN A 81 -2.173 -5.973 -1.799 1.00 1.68 C ATOM 1213 CG ASN A 81 -1.391 -5.177 -2.827 1.00 1.96 C ATOM 1214 OD1 ASN A 81 -0.153 -4.764 -2.544 1.00 2.76 O flip ATOM 1215 ND2 ASN A 81 -1.908 -4.912 -3.908 1.00 2.20 N flip ATOM 0 H ASN A 81 -2.928 -7.943 -0.283 1.00 1.63 H new ATOM 0 HA ASN A 81 -0.557 -7.306 -1.926 1.00 1.51 H new ATOM 0 HB2 ASN A 81 -3.037 -6.438 -2.273 1.00 1.68 H new ATOM 0 HB3 ASN A 81 -2.554 -5.305 -1.027 1.00 1.68 H new ATOM 0 HD21 ASN A 81 -2.854 -5.233 -4.113 1.00 2.20 H new ATOM 0 HD22 ASN A 81 -1.391 -4.371 -4.601 1.00 2.20 H new ATOM 1222 N ILE A 82 0.709 -6.851 0.141 1.00 1.20 N ATOM 1223 CA ILE A 82 1.547 -6.501 1.268 1.00 1.20 C ATOM 1224 C ILE A 82 2.793 -5.819 0.708 1.00 1.08 C ATOM 1225 O ILE A 82 2.989 -5.826 -0.509 1.00 1.08 O ATOM 1226 CB ILE A 82 1.889 -7.752 2.107 1.00 1.25 C ATOM 1227 CG1 ILE A 82 1.008 -9.003 1.916 1.00 1.85 C ATOM 1228 CG2 ILE A 82 1.818 -7.347 3.576 1.00 1.77 C ATOM 1229 CD1 ILE A 82 -0.362 -8.952 2.603 1.00 2.90 C ATOM 0 H ILE A 82 1.205 -7.349 -0.598 1.00 1.20 H new ATOM 0 HA ILE A 82 1.031 -5.820 1.945 1.00 1.20 H new ATOM 0 HB ILE A 82 2.874 -8.062 1.760 1.00 1.25 H new ATOM 0 HG12 ILE A 82 0.855 -9.159 0.848 1.00 1.85 H new ATOM 0 HG13 ILE A 82 1.552 -9.870 2.290 1.00 1.85 H new ATOM 0 HG21 ILE A 82 2.054 -8.207 4.202 1.00 1.77 H new ATOM 0 HG22 ILE A 82 2.536 -6.550 3.769 1.00 1.77 H new ATOM 0 HG23 ILE A 82 0.813 -6.994 3.808 1.00 1.77 H new ATOM 0 HD11 ILE A 82 -0.902 -9.878 2.407 1.00 2.90 H new ATOM 0 HD12 ILE A 82 -0.226 -8.832 3.678 1.00 2.90 H new ATOM 0 HD13 ILE A 82 -0.933 -8.110 2.213 1.00 2.90 H new ATOM 1241 N GLU A 83 3.629 -5.230 1.561 1.00 1.13 N ATOM 1242 CA GLU A 83 4.898 -4.667 1.171 1.00 1.09 C ATOM 1243 C GLU A 83 5.993 -4.964 2.194 1.00 1.01 C ATOM 1244 O GLU A 83 5.713 -5.186 3.371 1.00 1.14 O ATOM 1245 CB GLU A 83 4.685 -3.182 0.926 1.00 1.28 C ATOM 1246 CG GLU A 83 4.427 -2.359 2.185 1.00 1.44 C ATOM 1247 CD GLU A 83 5.649 -1.610 2.707 1.00 1.87 C ATOM 1248 OE1 GLU A 83 6.786 -1.922 2.291 1.00 2.64 O ATOM 1249 OE2 GLU A 83 5.455 -0.628 3.453 1.00 2.69 O ATOM 0 H GLU A 83 3.430 -5.135 2.557 1.00 1.13 H new ATOM 0 HA GLU A 83 5.256 -5.130 0.251 1.00 1.09 H new ATOM 0 HB2 GLU A 83 5.563 -2.781 0.420 1.00 1.28 H new ATOM 0 HB3 GLU A 83 3.841 -3.057 0.247 1.00 1.28 H new ATOM 0 HG2 GLU A 83 3.635 -1.639 1.978 1.00 1.44 H new ATOM 0 HG3 GLU A 83 4.059 -3.021 2.969 1.00 1.44 H new ATOM 1256 N LEU A 84 7.236 -5.045 1.722 1.00 0.92 N ATOM 1257 CA LEU A 84 8.393 -5.468 2.494 1.00 0.95 C ATOM 1258 C LEU A 84 9.543 -4.526 2.158 1.00 0.93 C ATOM 1259 O LEU A 84 9.643 -4.083 1.016 1.00 0.93 O ATOM 1260 CB LEU A 84 8.758 -6.912 2.111 1.00 1.01 C ATOM 1261 CG LEU A 84 7.622 -7.926 2.333 1.00 1.23 C ATOM 1262 CD1 LEU A 84 7.957 -9.235 1.613 1.00 2.01 C ATOM 1263 CD2 LEU A 84 7.390 -8.191 3.825 1.00 1.96 C ATOM 0 H LEU A 84 7.468 -4.809 0.757 1.00 0.92 H new ATOM 0 HA LEU A 84 8.183 -5.436 3.563 1.00 0.95 H new ATOM 0 HB2 LEU A 84 9.052 -6.935 1.062 1.00 1.01 H new ATOM 0 HB3 LEU A 84 9.627 -7.222 2.692 1.00 1.01 H new ATOM 0 HG LEU A 84 6.703 -7.505 1.924 1.00 1.23 H new ATOM 0 HD11 LEU A 84 7.152 -9.953 1.770 1.00 2.01 H new ATOM 0 HD12 LEU A 84 8.070 -9.045 0.546 1.00 2.01 H new ATOM 0 HD13 LEU A 84 8.888 -9.641 2.010 1.00 2.01 H new ATOM 0 HD21 LEU A 84 6.581 -8.912 3.945 1.00 1.96 H new ATOM 0 HD22 LEU A 84 8.301 -8.591 4.269 1.00 1.96 H new ATOM 0 HD23 LEU A 84 7.123 -7.259 4.323 1.00 1.96 H new ATOM 1275 N THR A 85 10.416 -4.234 3.125 1.00 0.96 N ATOM 1276 CA THR A 85 11.542 -3.332 2.960 1.00 0.99 C ATOM 1277 C THR A 85 12.807 -4.170 3.017 1.00 0.92 C ATOM 1278 O THR A 85 12.975 -4.977 3.930 1.00 0.96 O ATOM 1279 CB THR A 85 11.473 -2.160 3.966 1.00 1.26 C ATOM 1280 OG1 THR A 85 10.896 -1.037 3.333 1.00 1.91 O ATOM 1281 CG2 THR A 85 12.830 -1.744 4.547 1.00 1.63 C ATOM 0 H THR A 85 10.352 -4.630 4.063 1.00 0.96 H new ATOM 0 HA THR A 85 11.526 -2.831 1.992 1.00 0.99 H new ATOM 0 HB THR A 85 10.869 -2.517 4.800 1.00 1.26 H new ATOM 0 HG1 THR A 85 11.440 -0.783 2.558 1.00 1.91 H new ATOM 0 HG21 THR A 85 12.690 -0.916 5.242 1.00 1.63 H new ATOM 0 HG22 THR A 85 13.275 -2.589 5.073 1.00 1.63 H new ATOM 0 HG23 THR A 85 13.491 -1.431 3.739 1.00 1.63 H new ATOM 1289 N ILE A 86 13.657 -4.003 2.001 1.00 0.91 N ATOM 1290 CA ILE A 86 14.829 -4.827 1.778 1.00 0.92 C ATOM 1291 C ILE A 86 16.004 -4.069 2.370 1.00 0.99 C ATOM 1292 O ILE A 86 16.313 -2.966 1.920 1.00 1.13 O ATOM 1293 CB ILE A 86 15.088 -5.129 0.284 1.00 1.03 C ATOM 1294 CG1 ILE A 86 13.931 -4.811 -0.676 1.00 0.89 C ATOM 1295 CG2 ILE A 86 15.510 -6.594 0.128 1.00 1.73 C ATOM 1296 CD1 ILE A 86 13.819 -3.301 -0.933 1.00 1.80 C ATOM 0 H ILE A 86 13.539 -3.272 1.299 1.00 0.91 H new ATOM 0 HA ILE A 86 14.681 -5.799 2.249 1.00 0.92 H new ATOM 0 HB ILE A 86 15.884 -4.446 -0.012 1.00 1.03 H new ATOM 0 HG12 ILE A 86 14.085 -5.332 -1.621 1.00 0.89 H new ATOM 0 HG13 ILE A 86 12.995 -5.181 -0.257 1.00 0.89 H new ATOM 0 HG21 ILE A 86 15.693 -6.810 -0.925 1.00 1.73 H new ATOM 0 HG22 ILE A 86 16.421 -6.773 0.699 1.00 1.73 H new ATOM 0 HG23 ILE A 86 14.716 -7.243 0.498 1.00 1.73 H new ATOM 0 HD11 ILE A 86 12.991 -3.109 -1.616 1.00 1.80 H new ATOM 0 HD12 ILE A 86 13.640 -2.784 0.010 1.00 1.80 H new ATOM 0 HD13 ILE A 86 14.746 -2.937 -1.375 1.00 1.80 H new ATOM 1308 N THR A 87 16.647 -4.645 3.378 1.00 1.00 N ATOM 1309 CA THR A 87 17.794 -4.032 4.015 1.00 1.17 C ATOM 1310 C THR A 87 19.057 -4.665 3.426 1.00 1.44 C ATOM 1311 O THR A 87 19.073 -5.844 3.071 1.00 1.59 O ATOM 1312 CB THR A 87 17.663 -4.162 5.538 1.00 1.11 C ATOM 1313 OG1 THR A 87 17.469 -5.510 5.895 1.00 1.80 O ATOM 1314 CG2 THR A 87 16.453 -3.357 6.031 1.00 2.51 C ATOM 0 H THR A 87 16.385 -5.548 3.773 1.00 1.00 H new ATOM 0 HA THR A 87 17.855 -2.961 3.820 1.00 1.17 H new ATOM 0 HB THR A 87 18.578 -3.783 5.993 1.00 1.11 H new ATOM 0 HG1 THR A 87 17.388 -5.582 6.869 1.00 1.80 H new ATOM 0 HG21 THR A 87 16.367 -3.455 7.113 1.00 2.51 H new ATOM 0 HG22 THR A 87 16.584 -2.307 5.771 1.00 2.51 H new ATOM 0 HG23 THR A 87 15.547 -3.737 5.560 1.00 2.51 H new ATOM 1322 N GLY A 88 20.091 -3.844 3.227 1.00 1.70 N ATOM 1323 CA GLY A 88 21.342 -4.258 2.609 1.00 2.01 C ATOM 1324 C GLY A 88 21.303 -4.217 1.077 1.00 1.79 C ATOM 1325 O GLY A 88 22.358 -4.233 0.447 1.00 1.87 O ATOM 0 H GLY A 88 20.077 -2.860 3.496 1.00 1.70 H new ATOM 0 HA2 GLY A 88 22.145 -3.612 2.963 1.00 2.01 H new ATOM 0 HA3 GLY A 88 21.582 -5.271 2.933 1.00 2.01 H new ATOM 1329 N MET A 89 20.119 -4.178 0.455 1.00 1.62 N ATOM 1330 CA MET A 89 20.007 -4.251 -0.989 1.00 1.43 C ATOM 1331 C MET A 89 20.300 -2.895 -1.631 1.00 1.86 C ATOM 1332 O MET A 89 19.893 -1.855 -1.118 1.00 2.11 O ATOM 1333 CB MET A 89 18.610 -4.769 -1.324 1.00 1.20 C ATOM 1334 CG MET A 89 18.479 -5.183 -2.792 1.00 1.61 C ATOM 1335 SD MET A 89 17.910 -3.947 -3.982 1.00 2.28 S ATOM 1336 CE MET A 89 16.229 -3.732 -3.361 1.00 2.17 C ATOM 0 H MET A 89 19.226 -4.096 0.941 1.00 1.62 H new ATOM 0 HA MET A 89 20.748 -4.938 -1.398 1.00 1.43 H new ATOM 0 HB2 MET A 89 18.379 -5.622 -0.686 1.00 1.20 H new ATOM 0 HB3 MET A 89 17.875 -3.996 -1.100 1.00 1.20 H new ATOM 0 HG2 MET A 89 19.453 -5.542 -3.125 1.00 1.61 H new ATOM 0 HG3 MET A 89 17.795 -6.030 -2.839 1.00 1.61 H new ATOM 0 HE1 MET A 89 15.516 -3.958 -4.154 1.00 2.17 H new ATOM 0 HE2 MET A 89 16.062 -4.406 -2.521 1.00 2.17 H new ATOM 0 HE3 MET A 89 16.092 -2.702 -3.032 1.00 2.17 H new ATOM 1346 N THR A 90 21.007 -2.913 -2.763 1.00 2.06 N ATOM 1347 CA THR A 90 21.317 -1.726 -3.542 1.00 2.64 C ATOM 1348 C THR A 90 21.563 -2.156 -4.994 1.00 2.55 C ATOM 1349 O THR A 90 22.684 -2.431 -5.413 1.00 2.41 O ATOM 1350 CB THR A 90 22.451 -0.921 -2.875 1.00 3.28 C ATOM 1351 OG1 THR A 90 22.783 0.212 -3.653 1.00 4.50 O ATOM 1352 CG2 THR A 90 23.720 -1.729 -2.574 1.00 2.69 C ATOM 0 H THR A 90 21.384 -3.771 -3.166 1.00 2.06 H new ATOM 0 HA THR A 90 20.484 -1.024 -3.569 1.00 2.64 H new ATOM 0 HB THR A 90 22.049 -0.617 -1.908 1.00 3.28 H new ATOM 0 HG1 THR A 90 23.503 0.711 -3.214 1.00 4.50 H new ATOM 0 HG21 THR A 90 24.461 -1.081 -2.106 1.00 2.69 H new ATOM 0 HG22 THR A 90 23.477 -2.549 -1.899 1.00 2.69 H new ATOM 0 HG23 THR A 90 24.124 -2.131 -3.503 1.00 2.69 H new ATOM 1360 N CYS A 91 20.474 -2.254 -5.763 1.00 2.88 N ATOM 1361 CA CYS A 91 20.476 -2.627 -7.176 1.00 3.02 C ATOM 1362 C CYS A 91 21.076 -4.022 -7.385 1.00 1.36 C ATOM 1363 O CYS A 91 20.388 -5.032 -7.207 1.00 1.26 O ATOM 1364 CB CYS A 91 21.179 -1.573 -8.054 1.00 4.60 C ATOM 1365 SG CYS A 91 20.378 0.043 -7.974 1.00 6.49 S ATOM 0 H CYS A 91 19.537 -2.069 -5.404 1.00 2.88 H new ATOM 0 HA CYS A 91 19.435 -2.663 -7.497 1.00 3.02 H new ATOM 0 HB2 CYS A 91 22.217 -1.476 -7.737 1.00 4.60 H new ATOM 0 HB3 CYS A 91 21.192 -1.917 -9.088 1.00 4.60 H new ATOM 0 HG CYS A 91 21.019 0.883 -8.732 1.00 6.49 H new ATOM 1371 N ALA A 92 22.356 -4.065 -7.781 1.00 1.66 N ATOM 1372 CA ALA A 92 23.070 -5.231 -8.273 1.00 3.25 C ATOM 1373 C ALA A 92 22.199 -6.026 -9.255 1.00 2.23 C ATOM 1374 O ALA A 92 21.337 -5.465 -9.927 1.00 2.38 O ATOM 1375 CB ALA A 92 23.574 -6.040 -7.068 1.00 5.41 C ATOM 0 H ALA A 92 22.947 -3.234 -7.762 1.00 1.66 H new ATOM 0 HA ALA A 92 23.947 -4.941 -8.852 1.00 3.25 H new ATOM 0 HB1 ALA A 92 24.113 -6.920 -7.420 1.00 5.41 H new ATOM 0 HB2 ALA A 92 24.242 -5.422 -6.468 1.00 5.41 H new ATOM 0 HB3 ALA A 92 22.726 -6.354 -6.460 1.00 5.41 H new ATOM 1381 N SER A 93 22.379 -7.347 -9.294 1.00 2.00 N ATOM 1382 CA SER A 93 21.370 -8.251 -9.828 1.00 1.42 C ATOM 1383 C SER A 93 20.281 -8.484 -8.766 1.00 1.06 C ATOM 1384 O SER A 93 19.281 -9.144 -9.037 1.00 1.05 O ATOM 1385 CB SER A 93 22.056 -9.561 -10.246 1.00 2.32 C ATOM 1386 OG SER A 93 21.188 -10.374 -11.011 1.00 3.60 O ATOM 0 H SER A 93 23.222 -7.813 -8.959 1.00 2.00 H new ATOM 0 HA SER A 93 20.887 -7.822 -10.706 1.00 1.42 H new ATOM 0 HB2 SER A 93 22.952 -9.336 -10.825 1.00 2.32 H new ATOM 0 HB3 SER A 93 22.378 -10.105 -9.358 1.00 2.32 H new ATOM 0 HG SER A 93 20.268 -10.262 -10.691 1.00 3.60 H new ATOM 1392 N CYS A 94 20.469 -7.971 -7.540 1.00 0.96 N ATOM 1393 CA CYS A 94 19.656 -8.353 -6.395 1.00 0.90 C ATOM 1394 C CYS A 94 18.197 -8.026 -6.667 1.00 0.81 C ATOM 1395 O CYS A 94 17.330 -8.877 -6.526 1.00 0.84 O ATOM 1396 CB CYS A 94 20.106 -7.639 -5.122 1.00 1.00 C ATOM 1397 SG CYS A 94 19.000 -8.230 -3.826 1.00 3.31 S ATOM 0 H CYS A 94 21.189 -7.282 -7.324 1.00 0.96 H new ATOM 0 HA CYS A 94 19.777 -9.426 -6.245 1.00 0.90 H new ATOM 0 HB2 CYS A 94 21.145 -7.871 -4.888 1.00 1.00 H new ATOM 0 HB3 CYS A 94 20.038 -6.557 -5.233 1.00 1.00 H new ATOM 0 HG CYS A 94 19.695 -8.553 -2.776 1.00 3.31 H new ATOM 1403 N VAL A 95 17.956 -6.794 -7.101 1.00 0.79 N ATOM 1404 CA VAL A 95 16.642 -6.301 -7.487 1.00 0.82 C ATOM 1405 C VAL A 95 15.912 -7.301 -8.401 1.00 0.78 C ATOM 1406 O VAL A 95 14.884 -7.870 -8.026 1.00 0.73 O ATOM 1407 CB VAL A 95 16.823 -4.892 -8.086 1.00 0.96 C ATOM 1408 CG1 VAL A 95 17.594 -4.816 -9.412 1.00 2.64 C ATOM 1409 CG2 VAL A 95 15.488 -4.162 -8.223 1.00 2.50 C ATOM 0 H VAL A 95 18.690 -6.093 -7.196 1.00 0.79 H new ATOM 0 HA VAL A 95 15.984 -6.211 -6.623 1.00 0.82 H new ATOM 0 HB VAL A 95 17.457 -4.391 -7.354 1.00 0.96 H new ATOM 0 HG11 VAL A 95 17.658 -3.777 -9.736 1.00 2.64 H new ATOM 0 HG12 VAL A 95 18.598 -5.216 -9.272 1.00 2.64 H new ATOM 0 HG13 VAL A 95 17.073 -5.401 -10.170 1.00 2.64 H new ATOM 0 HG21 VAL A 95 15.656 -3.173 -8.649 1.00 2.50 H new ATOM 0 HG22 VAL A 95 14.828 -4.731 -8.877 1.00 2.50 H new ATOM 0 HG23 VAL A 95 15.026 -4.061 -7.241 1.00 2.50 H new ATOM 1419 N HIS A 96 16.501 -7.583 -9.566 1.00 0.87 N ATOM 1420 CA HIS A 96 15.913 -8.458 -10.569 1.00 0.93 C ATOM 1421 C HIS A 96 15.805 -9.888 -10.038 1.00 0.88 C ATOM 1422 O HIS A 96 14.906 -10.639 -10.405 1.00 0.87 O ATOM 1423 CB HIS A 96 16.754 -8.411 -11.849 1.00 1.10 C ATOM 1424 CG HIS A 96 16.132 -9.184 -12.986 1.00 1.94 C ATOM 1425 ND1 HIS A 96 14.814 -9.120 -13.380 1.00 3.24 N ATOM 1426 CD2 HIS A 96 16.762 -10.098 -13.788 1.00 2.95 C ATOM 1427 CE1 HIS A 96 14.658 -9.979 -14.402 1.00 3.86 C ATOM 1428 NE2 HIS A 96 15.816 -10.599 -14.687 1.00 3.77 N ATOM 0 H HIS A 96 17.408 -7.204 -9.837 1.00 0.87 H new ATOM 0 HA HIS A 96 14.905 -8.112 -10.799 1.00 0.93 H new ATOM 0 HB2 HIS A 96 16.888 -7.373 -12.152 1.00 1.10 H new ATOM 0 HB3 HIS A 96 17.746 -8.813 -11.642 1.00 1.10 H new ATOM 0 HD2 HIS A 96 17.803 -10.381 -13.735 1.00 2.95 H new ATOM 0 HE1 HIS A 96 13.728 -10.148 -14.924 1.00 3.86 H new ATOM 0 HE2 HIS A 96 15.973 -11.296 -15.415 1.00 3.77 H new ATOM 1436 N ASN A 97 16.737 -10.268 -9.167 1.00 0.90 N ATOM 1437 CA ASN A 97 16.794 -11.584 -8.553 1.00 0.89 C ATOM 1438 C ASN A 97 15.631 -11.766 -7.578 1.00 0.81 C ATOM 1439 O ASN A 97 14.942 -12.778 -7.634 1.00 0.81 O ATOM 1440 CB ASN A 97 18.156 -11.790 -7.881 1.00 0.99 C ATOM 1441 CG ASN A 97 18.133 -12.925 -6.869 1.00 1.06 C ATOM 1442 OD1 ASN A 97 18.289 -14.091 -7.222 1.00 1.68 O ATOM 1443 ND2 ASN A 97 17.924 -12.601 -5.597 1.00 1.56 N ATOM 0 H ASN A 97 17.490 -9.651 -8.864 1.00 0.90 H new ATOM 0 HA ASN A 97 16.690 -12.350 -9.321 1.00 0.89 H new ATOM 0 HB2 ASN A 97 18.907 -12.000 -8.643 1.00 0.99 H new ATOM 0 HB3 ASN A 97 18.457 -10.868 -7.383 1.00 0.99 H new ATOM 0 HD21 ASN A 97 17.890 -13.330 -4.884 1.00 1.56 H new ATOM 0 HD22 ASN A 97 17.798 -11.624 -5.334 1.00 1.56 H new ATOM 1450 N ILE A 98 15.402 -10.803 -6.688 1.00 0.78 N ATOM 1451 CA ILE A 98 14.278 -10.814 -5.765 1.00 0.77 C ATOM 1452 C ILE A 98 12.992 -10.863 -6.581 1.00 0.73 C ATOM 1453 O ILE A 98 12.134 -11.708 -6.334 1.00 0.76 O ATOM 1454 CB ILE A 98 14.356 -9.602 -4.816 1.00 0.77 C ATOM 1455 CG1 ILE A 98 15.473 -9.867 -3.791 1.00 0.89 C ATOM 1456 CG2 ILE A 98 13.014 -9.354 -4.109 1.00 0.83 C ATOM 1457 CD1 ILE A 98 15.766 -8.661 -2.896 1.00 0.99 C ATOM 0 H ILE A 98 16.002 -9.984 -6.589 1.00 0.78 H new ATOM 0 HA ILE A 98 14.302 -11.695 -5.124 1.00 0.77 H new ATOM 0 HB ILE A 98 14.579 -8.703 -5.391 1.00 0.77 H new ATOM 0 HG12 ILE A 98 15.191 -10.715 -3.167 1.00 0.89 H new ATOM 0 HG13 ILE A 98 16.383 -10.149 -4.320 1.00 0.89 H new ATOM 0 HG21 ILE A 98 13.105 -8.492 -3.448 1.00 0.83 H new ATOM 0 HG22 ILE A 98 12.241 -9.161 -4.853 1.00 0.83 H new ATOM 0 HG23 ILE A 98 12.743 -10.233 -3.524 1.00 0.83 H new ATOM 0 HD11 ILE A 98 16.563 -8.913 -2.196 1.00 0.99 H new ATOM 0 HD12 ILE A 98 16.078 -7.818 -3.512 1.00 0.99 H new ATOM 0 HD13 ILE A 98 14.867 -8.392 -2.341 1.00 0.99 H new ATOM 1469 N GLU A 99 12.892 -10.000 -7.594 1.00 0.70 N ATOM 1470 CA GLU A 99 11.784 -10.036 -8.533 1.00 0.70 C ATOM 1471 C GLU A 99 11.614 -11.453 -9.065 1.00 0.73 C ATOM 1472 O GLU A 99 10.536 -12.014 -8.931 1.00 0.77 O ATOM 1473 CB GLU A 99 11.980 -9.019 -9.658 1.00 0.78 C ATOM 1474 CG GLU A 99 11.228 -7.722 -9.353 1.00 0.91 C ATOM 1475 CD GLU A 99 11.518 -6.669 -10.413 1.00 1.44 C ATOM 1476 OE1 GLU A 99 12.711 -6.324 -10.553 1.00 2.57 O ATOM 1477 OE2 GLU A 99 10.546 -6.247 -11.073 1.00 1.96 O ATOM 0 H GLU A 99 13.574 -9.265 -7.780 1.00 0.70 H new ATOM 0 HA GLU A 99 10.867 -9.753 -8.017 1.00 0.70 H new ATOM 0 HB2 GLU A 99 13.042 -8.808 -9.783 1.00 0.78 H new ATOM 0 HB3 GLU A 99 11.625 -9.438 -10.599 1.00 0.78 H new ATOM 0 HG2 GLU A 99 10.157 -7.918 -9.312 1.00 0.91 H new ATOM 0 HG3 GLU A 99 11.521 -7.348 -8.372 1.00 0.91 H new ATOM 1484 N SER A 100 12.666 -12.056 -9.617 1.00 0.76 N ATOM 1485 CA SER A 100 12.642 -13.429 -10.101 1.00 0.84 C ATOM 1486 C SER A 100 12.122 -14.386 -9.021 1.00 0.84 C ATOM 1487 O SER A 100 11.247 -15.199 -9.293 1.00 0.96 O ATOM 1488 CB SER A 100 14.028 -13.831 -10.623 1.00 0.92 C ATOM 1489 OG SER A 100 14.031 -15.162 -11.103 1.00 1.68 O ATOM 0 H SER A 100 13.568 -11.596 -9.741 1.00 0.76 H new ATOM 0 HA SER A 100 11.945 -13.498 -10.937 1.00 0.84 H new ATOM 0 HB2 SER A 100 14.328 -13.153 -11.422 1.00 0.92 H new ATOM 0 HB3 SER A 100 14.763 -13.728 -9.825 1.00 0.92 H new ATOM 0 HG SER A 100 14.926 -15.390 -11.430 1.00 1.68 H new ATOM 1495 N LYS A 101 12.628 -14.301 -7.790 1.00 0.80 N ATOM 1496 CA LYS A 101 12.210 -15.171 -6.703 1.00 0.85 C ATOM 1497 C LYS A 101 10.718 -15.014 -6.412 1.00 0.83 C ATOM 1498 O LYS A 101 10.040 -15.997 -6.125 1.00 0.92 O ATOM 1499 CB LYS A 101 13.055 -14.880 -5.454 1.00 0.91 C ATOM 1500 CG LYS A 101 14.268 -15.809 -5.340 1.00 0.99 C ATOM 1501 CD LYS A 101 15.284 -15.588 -6.464 1.00 1.20 C ATOM 1502 CE LYS A 101 16.343 -16.699 -6.442 1.00 1.82 C ATOM 1503 NZ LYS A 101 17.305 -16.563 -7.553 1.00 2.52 N ATOM 0 H LYS A 101 13.342 -13.623 -7.523 1.00 0.80 H new ATOM 0 HA LYS A 101 12.371 -16.207 -7.001 1.00 0.85 H new ATOM 0 HB2 LYS A 101 13.395 -13.845 -5.482 1.00 0.91 H new ATOM 0 HB3 LYS A 101 12.434 -14.988 -4.565 1.00 0.91 H new ATOM 0 HG2 LYS A 101 14.755 -15.649 -4.378 1.00 0.99 H new ATOM 0 HG3 LYS A 101 13.931 -16.845 -5.358 1.00 0.99 H new ATOM 0 HD2 LYS A 101 14.775 -15.578 -7.428 1.00 1.20 H new ATOM 0 HD3 LYS A 101 15.763 -14.616 -6.346 1.00 1.20 H new ATOM 0 HE2 LYS A 101 16.878 -16.672 -5.493 1.00 1.82 H new ATOM 0 HE3 LYS A 101 15.852 -17.670 -6.504 1.00 1.82 H new ATOM 0 HZ1 LYS A 101 18.184 -17.064 -7.314 1.00 2.52 H new ATOM 0 HZ2 LYS A 101 16.897 -16.972 -8.418 1.00 2.52 H new ATOM 0 HZ3 LYS A 101 17.512 -15.556 -7.711 1.00 2.52 H new ATOM 1517 N LEU A 102 10.205 -13.785 -6.473 1.00 0.79 N ATOM 1518 CA LEU A 102 8.799 -13.526 -6.235 1.00 0.84 C ATOM 1519 C LEU A 102 8.008 -14.069 -7.419 1.00 0.80 C ATOM 1520 O LEU A 102 7.200 -14.981 -7.270 1.00 0.81 O ATOM 1521 CB LEU A 102 8.596 -12.019 -6.054 1.00 0.93 C ATOM 1522 CG LEU A 102 9.310 -11.493 -4.800 1.00 1.07 C ATOM 1523 CD1 LEU A 102 9.506 -9.995 -4.984 1.00 1.64 C ATOM 1524 CD2 LEU A 102 8.513 -11.755 -3.522 1.00 1.69 C ATOM 0 H LEU A 102 10.753 -12.952 -6.688 1.00 0.79 H new ATOM 0 HA LEU A 102 8.448 -14.020 -5.329 1.00 0.84 H new ATOM 0 HB2 LEU A 102 8.971 -11.494 -6.933 1.00 0.93 H new ATOM 0 HB3 LEU A 102 7.530 -11.802 -5.983 1.00 0.93 H new ATOM 0 HG LEU A 102 10.261 -12.015 -4.688 1.00 1.07 H new ATOM 0 HD11 LEU A 102 10.012 -9.584 -4.110 1.00 1.64 H new ATOM 0 HD12 LEU A 102 10.111 -9.814 -5.872 1.00 1.64 H new ATOM 0 HD13 LEU A 102 8.536 -9.513 -5.101 1.00 1.64 H new ATOM 0 HD21 LEU A 102 9.061 -11.364 -2.665 1.00 1.69 H new ATOM 0 HD22 LEU A 102 7.544 -11.260 -3.590 1.00 1.69 H new ATOM 0 HD23 LEU A 102 8.365 -12.828 -3.399 1.00 1.69 H new ATOM 1536 N THR A 103 8.274 -13.523 -8.606 1.00 0.80 N ATOM 1537 CA THR A 103 7.586 -13.871 -9.844 1.00 0.83 C ATOM 1538 C THR A 103 7.724 -15.353 -10.201 1.00 0.84 C ATOM 1539 O THR A 103 6.926 -15.871 -10.975 1.00 0.92 O ATOM 1540 CB THR A 103 8.039 -12.963 -10.991 1.00 0.86 C ATOM 1541 OG1 THR A 103 9.428 -13.039 -11.198 1.00 1.65 O ATOM 1542 CG2 THR A 103 7.641 -11.502 -10.755 1.00 1.72 C ATOM 0 H THR A 103 8.992 -12.809 -8.734 1.00 0.80 H new ATOM 0 HA THR A 103 6.522 -13.701 -9.679 1.00 0.83 H new ATOM 0 HB THR A 103 7.529 -13.325 -11.884 1.00 0.86 H new ATOM 0 HG1 THR A 103 9.895 -12.653 -10.428 1.00 1.65 H new ATOM 0 HG21 THR A 103 7.981 -10.892 -11.592 1.00 1.72 H new ATOM 0 HG22 THR A 103 6.557 -11.429 -10.671 1.00 1.72 H new ATOM 0 HG23 THR A 103 8.101 -11.144 -9.834 1.00 1.72 H new ATOM 1550 N ARG A 104 8.715 -16.045 -9.632 1.00 0.81 N ATOM 1551 CA ARG A 104 8.827 -17.495 -9.764 1.00 0.85 C ATOM 1552 C ARG A 104 7.554 -18.186 -9.256 1.00 0.91 C ATOM 1553 O ARG A 104 7.186 -19.234 -9.785 1.00 1.07 O ATOM 1554 CB ARG A 104 10.083 -18.019 -9.041 1.00 0.85 C ATOM 1555 CG ARG A 104 10.117 -19.553 -8.935 1.00 1.73 C ATOM 1556 CD ARG A 104 11.379 -20.083 -8.241 1.00 2.11 C ATOM 1557 NE ARG A 104 12.458 -20.376 -9.202 1.00 2.42 N ATOM 1558 CZ ARG A 104 13.430 -21.285 -9.003 1.00 3.43 C ATOM 1559 NH1 ARG A 104 13.570 -21.865 -7.805 1.00 4.13 N ATOM 1560 NH2 ARG A 104 14.257 -21.615 -10.001 1.00 4.35 N ATOM 0 H ARG A 104 9.454 -15.619 -9.073 1.00 0.81 H new ATOM 0 HA ARG A 104 8.935 -17.736 -10.822 1.00 0.85 H new ATOM 0 HB2 ARG A 104 10.971 -17.677 -9.572 1.00 0.85 H new ATOM 0 HB3 ARG A 104 10.125 -17.590 -8.040 1.00 0.85 H new ATOM 0 HG2 ARG A 104 9.239 -19.892 -8.386 1.00 1.73 H new ATOM 0 HG3 ARG A 104 10.053 -19.981 -9.935 1.00 1.73 H new ATOM 0 HD2 ARG A 104 11.729 -19.348 -7.516 1.00 2.11 H new ATOM 0 HD3 ARG A 104 11.134 -20.988 -7.685 1.00 2.11 H new ATOM 0 HE ARG A 104 12.468 -19.854 -10.078 1.00 2.42 H new ATOM 0 HH11 ARG A 104 12.940 -21.618 -7.042 1.00 4.13 H new ATOM 0 HH12 ARG A 104 14.307 -22.554 -7.655 1.00 4.13 H new ATOM 0 HH21 ARG A 104 14.152 -21.177 -10.916 1.00 4.35 H new ATOM 0 HH22 ARG A 104 14.993 -22.304 -9.847 1.00 4.35 H new ATOM 1574 N THR A 105 6.926 -17.664 -8.198 1.00 0.87 N ATOM 1575 CA THR A 105 5.776 -18.333 -7.607 1.00 1.03 C ATOM 1576 C THR A 105 4.521 -18.158 -8.464 1.00 1.01 C ATOM 1577 O THR A 105 4.512 -17.429 -9.452 1.00 1.15 O ATOM 1578 CB THR A 105 5.568 -17.893 -6.151 1.00 1.30 C ATOM 1579 OG1 THR A 105 4.843 -18.907 -5.486 1.00 3.02 O ATOM 1580 CG2 THR A 105 4.779 -16.590 -6.017 1.00 1.69 C ATOM 0 H THR A 105 7.194 -16.792 -7.742 1.00 0.87 H new ATOM 0 HA THR A 105 5.982 -19.403 -7.585 1.00 1.03 H new ATOM 0 HB THR A 105 6.555 -17.725 -5.720 1.00 1.30 H new ATOM 0 HG1 THR A 105 4.300 -18.508 -4.774 1.00 3.02 H new ATOM 0 HG21 THR A 105 4.669 -16.338 -4.962 1.00 1.69 H new ATOM 0 HG22 THR A 105 5.312 -15.788 -6.528 1.00 1.69 H new ATOM 0 HG23 THR A 105 3.793 -16.714 -6.465 1.00 1.69 H new ATOM 1588 N ASN A 106 3.444 -18.827 -8.055 1.00 0.98 N ATOM 1589 CA ASN A 106 2.165 -18.823 -8.754 1.00 1.08 C ATOM 1590 C ASN A 106 1.309 -17.625 -8.345 1.00 1.05 C ATOM 1591 O ASN A 106 0.739 -16.951 -9.195 1.00 1.13 O ATOM 1592 CB ASN A 106 1.428 -20.152 -8.532 1.00 1.25 C ATOM 1593 CG ASN A 106 1.161 -20.482 -7.064 1.00 1.46 C ATOM 1594 OD1 ASN A 106 1.763 -19.908 -6.160 1.00 2.28 O ATOM 1595 ND2 ASN A 106 0.261 -21.423 -6.808 1.00 1.72 N ATOM 0 H ASN A 106 3.439 -19.398 -7.210 1.00 0.98 H new ATOM 0 HA ASN A 106 2.360 -18.722 -9.822 1.00 1.08 H new ATOM 0 HB2 ASN A 106 0.477 -20.121 -9.065 1.00 1.25 H new ATOM 0 HB3 ASN A 106 2.014 -20.958 -8.973 1.00 1.25 H new ATOM 0 HD21 ASN A 106 0.056 -21.684 -5.843 1.00 1.72 H new ATOM 0 HD22 ASN A 106 -0.226 -21.885 -7.576 1.00 1.72 H new ATOM 1602 N GLY A 107 1.188 -17.377 -7.039 1.00 1.04 N ATOM 1603 CA GLY A 107 0.245 -16.407 -6.511 1.00 1.14 C ATOM 1604 C GLY A 107 0.612 -14.973 -6.861 1.00 1.06 C ATOM 1605 O GLY A 107 -0.271 -14.137 -7.026 1.00 1.19 O ATOM 0 H GLY A 107 1.744 -17.846 -6.324 1.00 1.04 H new ATOM 0 HA2 GLY A 107 -0.750 -16.627 -6.898 1.00 1.14 H new ATOM 0 HA3 GLY A 107 0.195 -16.510 -5.427 1.00 1.14 H new ATOM 1609 N ILE A 108 1.910 -14.659 -6.899 1.00 0.93 N ATOM 1610 CA ILE A 108 2.344 -13.284 -7.060 1.00 0.90 C ATOM 1611 C ILE A 108 2.061 -12.828 -8.492 1.00 0.99 C ATOM 1612 O ILE A 108 2.601 -13.399 -9.437 1.00 1.06 O ATOM 1613 CB ILE A 108 3.793 -13.088 -6.558 1.00 0.86 C ATOM 1614 CG1 ILE A 108 3.939 -11.953 -5.528 1.00 1.09 C ATOM 1615 CG2 ILE A 108 4.806 -12.855 -7.681 1.00 0.97 C ATOM 1616 CD1 ILE A 108 4.955 -12.361 -4.455 1.00 2.89 C ATOM 0 H ILE A 108 2.667 -15.338 -6.820 1.00 0.93 H new ATOM 0 HA ILE A 108 1.766 -12.617 -6.421 1.00 0.90 H new ATOM 0 HB ILE A 108 4.018 -14.038 -6.073 1.00 0.86 H new ATOM 0 HG12 ILE A 108 4.265 -11.038 -6.023 1.00 1.09 H new ATOM 0 HG13 ILE A 108 2.974 -11.740 -5.068 1.00 1.09 H new ATOM 0 HG21 ILE A 108 5.800 -12.726 -7.253 1.00 0.97 H new ATOM 0 HG22 ILE A 108 4.809 -13.714 -8.353 1.00 0.97 H new ATOM 0 HG23 ILE A 108 4.532 -11.959 -8.238 1.00 0.97 H new ATOM 0 HD11 ILE A 108 5.058 -11.557 -3.726 1.00 2.89 H new ATOM 0 HD12 ILE A 108 4.610 -13.264 -3.952 1.00 2.89 H new ATOM 0 HD13 ILE A 108 5.921 -12.552 -4.923 1.00 2.89 H new ATOM 1628 N THR A 109 1.230 -11.797 -8.658 1.00 1.10 N ATOM 1629 CA THR A 109 0.844 -11.348 -9.991 1.00 1.26 C ATOM 1630 C THR A 109 1.741 -10.193 -10.423 1.00 1.09 C ATOM 1631 O THR A 109 2.221 -10.186 -11.554 1.00 1.17 O ATOM 1632 CB THR A 109 -0.638 -10.948 -10.021 1.00 1.57 C ATOM 1633 OG1 THR A 109 -1.407 -12.029 -9.544 1.00 2.39 O ATOM 1634 CG2 THR A 109 -1.091 -10.614 -11.448 1.00 1.80 C ATOM 0 H THR A 109 0.817 -11.264 -7.893 1.00 1.10 H new ATOM 0 HA THR A 109 0.974 -12.168 -10.697 1.00 1.26 H new ATOM 0 HB THR A 109 -0.774 -10.065 -9.397 1.00 1.57 H new ATOM 0 HG1 THR A 109 -2.356 -11.786 -9.556 1.00 2.39 H new ATOM 0 HG21 THR A 109 -2.144 -10.334 -11.439 1.00 1.80 H new ATOM 0 HG22 THR A 109 -0.498 -9.784 -11.833 1.00 1.80 H new ATOM 0 HG23 THR A 109 -0.953 -11.486 -12.087 1.00 1.80 H new ATOM 1642 N TYR A 110 1.946 -9.201 -9.547 1.00 0.98 N ATOM 1643 CA TYR A 110 2.727 -8.022 -9.912 1.00 0.93 C ATOM 1644 C TYR A 110 3.595 -7.509 -8.768 1.00 0.85 C ATOM 1645 O TYR A 110 3.142 -6.672 -7.989 1.00 1.23 O ATOM 1646 CB TYR A 110 1.830 -6.958 -10.579 1.00 1.19 C ATOM 1647 CG TYR A 110 0.759 -6.206 -9.796 1.00 1.26 C ATOM 1648 CD1 TYR A 110 1.078 -4.961 -9.217 1.00 1.61 C ATOM 1649 CD2 TYR A 110 -0.602 -6.575 -9.903 1.00 3.02 C ATOM 1650 CE1 TYR A 110 0.097 -4.227 -8.526 1.00 1.71 C ATOM 1651 CE2 TYR A 110 -1.605 -5.776 -9.311 1.00 3.47 C ATOM 1652 CZ TYR A 110 -1.246 -4.630 -8.581 1.00 2.20 C ATOM 1653 OH TYR A 110 -2.167 -3.990 -7.809 1.00 2.77 O ATOM 0 H TYR A 110 1.585 -9.194 -8.593 1.00 0.98 H new ATOM 0 HA TYR A 110 3.455 -8.313 -10.669 1.00 0.93 H new ATOM 0 HB2 TYR A 110 2.495 -6.207 -11.005 1.00 1.19 H new ATOM 0 HB3 TYR A 110 1.326 -7.448 -11.412 1.00 1.19 H new ATOM 0 HD1 TYR A 110 2.080 -4.569 -9.304 1.00 1.61 H new ATOM 0 HD2 TYR A 110 -0.876 -7.471 -10.440 1.00 3.02 H new ATOM 0 HE1 TYR A 110 0.377 -3.355 -7.954 1.00 1.71 H new ATOM 0 HE2 TYR A 110 -2.645 -6.045 -9.419 1.00 3.47 H new ATOM 0 HH TYR A 110 -3.051 -4.384 -7.960 1.00 2.77 H new ATOM 1663 N ALA A 111 4.857 -7.944 -8.669 1.00 0.77 N ATOM 1664 CA ALA A 111 5.717 -7.471 -7.597 1.00 0.78 C ATOM 1665 C ALA A 111 6.480 -6.259 -8.117 1.00 0.80 C ATOM 1666 O ALA A 111 6.751 -6.167 -9.312 1.00 0.89 O ATOM 1667 CB ALA A 111 6.678 -8.578 -7.166 1.00 0.85 C ATOM 0 H ALA A 111 5.292 -8.610 -9.308 1.00 0.77 H new ATOM 0 HA ALA A 111 5.127 -7.192 -6.724 1.00 0.78 H new ATOM 0 HB1 ALA A 111 7.317 -8.212 -6.363 1.00 0.85 H new ATOM 0 HB2 ALA A 111 6.108 -9.438 -6.814 1.00 0.85 H new ATOM 0 HB3 ALA A 111 7.295 -8.875 -8.014 1.00 0.85 H new ATOM 1673 N SER A 112 6.737 -5.283 -7.247 1.00 0.79 N ATOM 1674 CA SER A 112 7.373 -4.033 -7.638 1.00 0.84 C ATOM 1675 C SER A 112 8.332 -3.609 -6.531 1.00 0.78 C ATOM 1676 O SER A 112 7.871 -3.241 -5.453 1.00 0.83 O ATOM 1677 CB SER A 112 6.294 -2.975 -7.904 1.00 1.07 C ATOM 1678 OG SER A 112 5.215 -3.554 -8.623 1.00 2.37 O ATOM 0 H SER A 112 6.509 -5.340 -6.254 1.00 0.79 H new ATOM 0 HA SER A 112 7.945 -4.155 -8.558 1.00 0.84 H new ATOM 0 HB2 SER A 112 5.935 -2.564 -6.960 1.00 1.07 H new ATOM 0 HB3 SER A 112 6.717 -2.146 -8.472 1.00 1.07 H new ATOM 0 HG SER A 112 4.529 -2.874 -8.788 1.00 2.37 H new ATOM 1684 N VAL A 113 9.641 -3.692 -6.782 1.00 0.76 N ATOM 1685 CA VAL A 113 10.695 -3.385 -5.824 1.00 0.77 C ATOM 1686 C VAL A 113 11.239 -1.977 -6.096 1.00 1.00 C ATOM 1687 O VAL A 113 11.640 -1.671 -7.216 1.00 1.17 O ATOM 1688 CB VAL A 113 11.763 -4.497 -5.850 1.00 0.78 C ATOM 1689 CG1 VAL A 113 12.314 -4.780 -7.253 1.00 2.17 C ATOM 1690 CG2 VAL A 113 12.921 -4.193 -4.892 1.00 1.84 C ATOM 0 H VAL A 113 10.004 -3.985 -7.689 1.00 0.76 H new ATOM 0 HA VAL A 113 10.308 -3.368 -4.805 1.00 0.77 H new ATOM 0 HB VAL A 113 11.246 -5.397 -5.516 1.00 0.78 H new ATOM 0 HG11 VAL A 113 13.060 -5.572 -7.198 1.00 2.17 H new ATOM 0 HG12 VAL A 113 11.500 -5.093 -7.907 1.00 2.17 H new ATOM 0 HG13 VAL A 113 12.774 -3.876 -7.653 1.00 2.17 H new ATOM 0 HG21 VAL A 113 13.653 -4.999 -4.939 1.00 1.84 H new ATOM 0 HG22 VAL A 113 13.395 -3.255 -5.181 1.00 1.84 H new ATOM 0 HG23 VAL A 113 12.539 -4.108 -3.875 1.00 1.84 H new ATOM 1700 N ALA A 114 11.226 -1.110 -5.078 1.00 1.08 N ATOM 1701 CA ALA A 114 11.604 0.293 -5.163 1.00 1.33 C ATOM 1702 C ALA A 114 12.756 0.575 -4.194 1.00 1.31 C ATOM 1703 O ALA A 114 12.562 0.975 -3.048 1.00 1.35 O ATOM 1704 CB ALA A 114 10.377 1.166 -4.885 1.00 1.49 C ATOM 0 H ALA A 114 10.940 -1.383 -4.138 1.00 1.08 H new ATOM 0 HA ALA A 114 11.959 0.534 -6.165 1.00 1.33 H new ATOM 0 HB1 ALA A 114 10.657 2.218 -4.948 1.00 1.49 H new ATOM 0 HB2 ALA A 114 9.603 0.952 -5.622 1.00 1.49 H new ATOM 0 HB3 ALA A 114 9.996 0.951 -3.887 1.00 1.49 H new ATOM 1710 N LEU A 115 13.981 0.382 -4.679 1.00 1.32 N ATOM 1711 CA LEU A 115 15.224 0.571 -3.937 1.00 1.33 C ATOM 1712 C LEU A 115 15.484 2.030 -3.553 1.00 1.40 C ATOM 1713 O LEU A 115 16.244 2.287 -2.629 1.00 1.41 O ATOM 1714 CB LEU A 115 16.398 -0.028 -4.720 1.00 1.43 C ATOM 1715 CG LEU A 115 16.672 0.655 -6.072 1.00 1.81 C ATOM 1716 CD1 LEU A 115 17.775 1.716 -5.955 1.00 2.25 C ATOM 1717 CD2 LEU A 115 17.093 -0.416 -7.080 1.00 2.17 C ATOM 0 H LEU A 115 14.140 0.077 -5.639 1.00 1.32 H new ATOM 0 HA LEU A 115 15.120 0.038 -2.992 1.00 1.33 H new ATOM 0 HB2 LEU A 115 17.297 0.033 -4.107 1.00 1.43 H new ATOM 0 HB3 LEU A 115 16.201 -1.086 -4.894 1.00 1.43 H new ATOM 0 HG LEU A 115 15.763 1.159 -6.401 1.00 1.81 H new ATOM 0 HD11 LEU A 115 17.941 2.177 -6.929 1.00 2.25 H new ATOM 0 HD12 LEU A 115 17.471 2.480 -5.239 1.00 2.25 H new ATOM 0 HD13 LEU A 115 18.697 1.246 -5.614 1.00 2.25 H new ATOM 0 HD21 LEU A 115 17.291 0.050 -8.045 1.00 2.17 H new ATOM 0 HD22 LEU A 115 17.995 -0.915 -6.726 1.00 2.17 H new ATOM 0 HD23 LEU A 115 16.293 -1.148 -7.189 1.00 2.17 H new ATOM 1729 N ALA A 116 14.859 2.990 -4.243 1.00 1.52 N ATOM 1730 CA ALA A 116 14.995 4.403 -3.907 1.00 1.59 C ATOM 1731 C ALA A 116 14.468 4.657 -2.492 1.00 1.46 C ATOM 1732 O ALA A 116 15.062 5.402 -1.719 1.00 1.48 O ATOM 1733 CB ALA A 116 14.237 5.250 -4.931 1.00 1.73 C ATOM 0 H ALA A 116 14.251 2.808 -5.042 1.00 1.52 H new ATOM 0 HA ALA A 116 16.048 4.684 -3.935 1.00 1.59 H new ATOM 0 HB1 ALA A 116 14.340 6.305 -4.678 1.00 1.73 H new ATOM 0 HB2 ALA A 116 14.648 5.073 -5.925 1.00 1.73 H new ATOM 0 HB3 ALA A 116 13.182 4.976 -4.921 1.00 1.73 H new ATOM 1739 N THR A 117 13.340 4.019 -2.176 1.00 1.39 N ATOM 1740 CA THR A 117 12.717 4.032 -0.862 1.00 1.31 C ATOM 1741 C THR A 117 13.155 2.801 -0.048 1.00 1.17 C ATOM 1742 O THR A 117 12.988 2.770 1.168 1.00 1.20 O ATOM 1743 CB THR A 117 11.185 4.171 -1.025 1.00 1.42 C ATOM 1744 OG1 THR A 117 10.499 3.555 0.041 1.00 1.82 O ATOM 1745 CG2 THR A 117 10.611 3.597 -2.322 1.00 1.46 C ATOM 0 H THR A 117 12.821 3.461 -2.855 1.00 1.39 H new ATOM 0 HA THR A 117 13.050 4.895 -0.285 1.00 1.31 H new ATOM 0 HB THR A 117 11.031 5.250 -1.042 1.00 1.42 H new ATOM 0 HG1 THR A 117 9.839 4.179 0.409 1.00 1.82 H new ATOM 0 HG21 THR A 117 9.531 3.745 -2.339 1.00 1.46 H new ATOM 0 HG22 THR A 117 11.060 4.106 -3.175 1.00 1.46 H new ATOM 0 HG23 THR A 117 10.832 2.531 -2.377 1.00 1.46 H new ATOM 1753 N SER A 118 13.660 1.763 -0.717 1.00 1.12 N ATOM 1754 CA SER A 118 13.986 0.471 -0.136 1.00 1.06 C ATOM 1755 C SER A 118 12.723 -0.237 0.344 1.00 1.04 C ATOM 1756 O SER A 118 12.778 -0.924 1.361 1.00 1.17 O ATOM 1757 CB SER A 118 15.039 0.591 0.978 1.00 1.09 C ATOM 1758 OG SER A 118 16.163 1.304 0.503 1.00 1.64 O ATOM 0 H SER A 118 13.859 1.807 -1.717 1.00 1.12 H new ATOM 0 HA SER A 118 14.435 -0.143 -0.917 1.00 1.06 H new ATOM 0 HB2 SER A 118 14.612 1.102 1.841 1.00 1.09 H new ATOM 0 HB3 SER A 118 15.342 -0.401 1.313 1.00 1.09 H new ATOM 0 HG SER A 118 16.829 1.378 1.218 1.00 1.64 H new ATOM 1764 N LYS A 119 11.604 -0.111 -0.385 1.00 0.98 N ATOM 1765 CA LYS A 119 10.394 -0.877 -0.114 1.00 0.97 C ATOM 1766 C LYS A 119 9.957 -1.603 -1.381 1.00 1.00 C ATOM 1767 O LYS A 119 10.340 -1.196 -2.474 1.00 1.11 O ATOM 1768 CB LYS A 119 9.301 0.006 0.494 1.00 1.23 C ATOM 1769 CG LYS A 119 8.627 0.933 -0.519 1.00 1.64 C ATOM 1770 CD LYS A 119 7.670 1.954 0.124 1.00 2.35 C ATOM 1771 CE LYS A 119 6.605 1.361 1.065 1.00 2.53 C ATOM 1772 NZ LYS A 119 7.111 1.026 2.412 1.00 3.05 N ATOM 0 H LYS A 119 11.520 0.526 -1.177 1.00 0.98 H new ATOM 0 HA LYS A 119 10.601 -1.637 0.639 1.00 0.97 H new ATOM 0 HB2 LYS A 119 8.544 -0.631 0.951 1.00 1.23 H new ATOM 0 HB3 LYS A 119 9.735 0.608 1.292 1.00 1.23 H new ATOM 0 HG2 LYS A 119 9.395 1.468 -1.077 1.00 1.64 H new ATOM 0 HG3 LYS A 119 8.073 0.330 -1.238 1.00 1.64 H new ATOM 0 HD2 LYS A 119 8.262 2.678 0.684 1.00 2.35 H new ATOM 0 HD3 LYS A 119 7.164 2.502 -0.671 1.00 2.35 H new ATOM 0 HE2 LYS A 119 5.785 2.073 1.163 1.00 2.53 H new ATOM 0 HE3 LYS A 119 6.193 0.461 0.609 1.00 2.53 H new ATOM 0 HZ1 LYS A 119 6.310 0.827 3.044 1.00 3.05 H new ATOM 0 HZ2 LYS A 119 7.723 0.187 2.354 1.00 3.05 H new ATOM 0 HZ3 LYS A 119 7.657 1.828 2.787 1.00 3.05 H new ATOM 1786 N ALA A 120 9.183 -2.678 -1.243 1.00 0.97 N ATOM 1787 CA ALA A 120 8.721 -3.496 -2.349 1.00 1.01 C ATOM 1788 C ALA A 120 7.278 -3.911 -2.102 1.00 0.92 C ATOM 1789 O ALA A 120 6.974 -4.386 -1.015 1.00 0.90 O ATOM 1790 CB ALA A 120 9.615 -4.731 -2.480 1.00 1.07 C ATOM 0 H ALA A 120 8.855 -3.007 -0.335 1.00 0.97 H new ATOM 0 HA ALA A 120 8.772 -2.925 -3.276 1.00 1.01 H new ATOM 0 HB1 ALA A 120 9.268 -5.345 -3.311 1.00 1.07 H new ATOM 0 HB2 ALA A 120 10.643 -4.418 -2.665 1.00 1.07 H new ATOM 0 HB3 ALA A 120 9.572 -5.311 -1.558 1.00 1.07 H new ATOM 1796 N LEU A 121 6.411 -3.745 -3.104 1.00 0.95 N ATOM 1797 CA LEU A 121 4.984 -4.035 -3.057 1.00 0.97 C ATOM 1798 C LEU A 121 4.780 -5.407 -3.706 1.00 0.88 C ATOM 1799 O LEU A 121 5.221 -5.600 -4.841 1.00 0.90 O ATOM 1800 CB LEU A 121 4.191 -2.982 -3.851 1.00 1.14 C ATOM 1801 CG LEU A 121 4.243 -1.499 -3.437 1.00 1.27 C ATOM 1802 CD1 LEU A 121 3.455 -1.242 -2.159 1.00 2.23 C ATOM 1803 CD2 LEU A 121 5.642 -0.896 -3.283 1.00 1.52 C ATOM 0 H LEU A 121 6.704 -3.387 -4.013 1.00 0.95 H new ATOM 0 HA LEU A 121 4.633 -4.022 -2.025 1.00 0.97 H new ATOM 0 HB2 LEU A 121 4.524 -3.040 -4.887 1.00 1.14 H new ATOM 0 HB3 LEU A 121 3.144 -3.286 -3.835 1.00 1.14 H new ATOM 0 HG LEU A 121 3.784 -0.993 -4.286 1.00 1.27 H new ATOM 0 HD11 LEU A 121 3.516 -0.185 -1.900 1.00 2.23 H new ATOM 0 HD12 LEU A 121 2.412 -1.518 -2.313 1.00 2.23 H new ATOM 0 HD13 LEU A 121 3.872 -1.839 -1.348 1.00 2.23 H new ATOM 0 HD21 LEU A 121 5.557 0.150 -2.990 1.00 1.52 H new ATOM 0 HD22 LEU A 121 6.192 -1.444 -2.518 1.00 1.52 H new ATOM 0 HD23 LEU A 121 6.174 -0.965 -4.232 1.00 1.52 H new ATOM 1815 N VAL A 122 4.063 -6.325 -3.046 1.00 0.90 N ATOM 1816 CA VAL A 122 3.840 -7.705 -3.490 1.00 0.84 C ATOM 1817 C VAL A 122 2.340 -8.046 -3.456 1.00 0.94 C ATOM 1818 O VAL A 122 1.714 -7.851 -2.417 1.00 1.04 O ATOM 1819 CB VAL A 122 4.670 -8.684 -2.635 1.00 0.76 C ATOM 1820 CG1 VAL A 122 6.165 -8.529 -2.939 1.00 1.91 C ATOM 1821 CG2 VAL A 122 4.474 -8.554 -1.116 1.00 2.39 C ATOM 0 H VAL A 122 3.607 -6.119 -2.157 1.00 0.90 H new ATOM 0 HA VAL A 122 4.174 -7.804 -4.523 1.00 0.84 H new ATOM 0 HB VAL A 122 4.299 -9.669 -2.918 1.00 0.76 H new ATOM 0 HG11 VAL A 122 6.735 -9.228 -2.327 1.00 1.91 H new ATOM 0 HG12 VAL A 122 6.346 -8.739 -3.993 1.00 1.91 H new ATOM 0 HG13 VAL A 122 6.478 -7.510 -2.714 1.00 1.91 H new ATOM 0 HG21 VAL A 122 5.100 -9.285 -0.604 1.00 2.39 H new ATOM 0 HG22 VAL A 122 4.754 -7.550 -0.798 1.00 2.39 H new ATOM 0 HG23 VAL A 122 3.428 -8.735 -0.867 1.00 2.39 H new ATOM 1831 N LYS A 123 1.752 -8.496 -4.585 1.00 0.99 N ATOM 1832 CA LYS A 123 0.351 -8.920 -4.647 1.00 1.14 C ATOM 1833 C LYS A 123 0.336 -10.428 -4.851 1.00 1.08 C ATOM 1834 O LYS A 123 0.463 -10.862 -5.997 1.00 1.07 O ATOM 1835 CB LYS A 123 -0.447 -8.209 -5.763 1.00 1.37 C ATOM 1836 CG LYS A 123 0.306 -7.106 -6.504 1.00 1.27 C ATOM 1837 CD LYS A 123 0.586 -5.918 -5.582 1.00 1.39 C ATOM 1838 CE LYS A 123 2.066 -5.567 -5.416 1.00 3.26 C ATOM 1839 NZ LYS A 123 2.596 -4.631 -6.423 1.00 4.26 N ATOM 0 H LYS A 123 2.242 -8.573 -5.476 1.00 0.99 H new ATOM 0 HA LYS A 123 -0.141 -8.644 -3.715 1.00 1.14 H new ATOM 0 HB2 LYS A 123 -0.770 -8.956 -6.488 1.00 1.37 H new ATOM 0 HB3 LYS A 123 -1.348 -7.780 -5.325 1.00 1.37 H new ATOM 0 HG2 LYS A 123 1.246 -7.500 -6.891 1.00 1.27 H new ATOM 0 HG3 LYS A 123 -0.279 -6.775 -7.362 1.00 1.27 H new ATOM 0 HD2 LYS A 123 0.062 -5.044 -5.969 1.00 1.39 H new ATOM 0 HD3 LYS A 123 0.166 -6.132 -4.599 1.00 1.39 H new ATOM 0 HE2 LYS A 123 2.214 -5.135 -4.426 1.00 3.26 H new ATOM 0 HE3 LYS A 123 2.649 -6.487 -5.453 1.00 3.26 H new ATOM 0 HZ1 LYS A 123 3.572 -4.371 -6.176 1.00 4.26 H new ATOM 0 HZ2 LYS A 123 2.585 -5.085 -7.359 1.00 4.26 H new ATOM 0 HZ3 LYS A 123 2.005 -3.775 -6.446 1.00 4.26 H new ATOM 1853 N PHE A 124 0.228 -11.198 -3.762 1.00 1.12 N ATOM 1854 CA PHE A 124 0.074 -12.654 -3.815 1.00 1.16 C ATOM 1855 C PHE A 124 -1.328 -13.060 -3.349 1.00 1.29 C ATOM 1856 O PHE A 124 -2.140 -12.184 -3.058 1.00 1.33 O ATOM 1857 CB PHE A 124 1.188 -13.353 -3.022 1.00 1.14 C ATOM 1858 CG PHE A 124 1.276 -12.995 -1.552 1.00 1.15 C ATOM 1859 CD1 PHE A 124 2.067 -11.905 -1.142 1.00 1.80 C ATOM 1860 CD2 PHE A 124 0.671 -13.820 -0.585 1.00 1.89 C ATOM 1861 CE1 PHE A 124 2.271 -11.659 0.226 1.00 1.90 C ATOM 1862 CE2 PHE A 124 0.848 -13.553 0.782 1.00 1.96 C ATOM 1863 CZ PHE A 124 1.651 -12.475 1.189 1.00 1.39 C ATOM 0 H PHE A 124 0.245 -10.824 -2.813 1.00 1.12 H new ATOM 0 HA PHE A 124 0.176 -12.984 -4.849 1.00 1.16 H new ATOM 0 HB2 PHE A 124 1.047 -14.431 -3.106 1.00 1.14 H new ATOM 0 HB3 PHE A 124 2.144 -13.119 -3.491 1.00 1.14 H new ATOM 0 HD1 PHE A 124 2.517 -11.257 -1.880 1.00 1.80 H new ATOM 0 HD2 PHE A 124 0.069 -14.661 -0.896 1.00 1.89 H new ATOM 0 HE1 PHE A 124 2.905 -10.842 0.538 1.00 1.90 H new ATOM 0 HE2 PHE A 124 0.367 -14.177 1.521 1.00 1.96 H new ATOM 0 HZ PHE A 124 1.792 -12.273 2.240 1.00 1.39 H new ATOM 1873 N ASP A 125 -1.623 -14.369 -3.291 1.00 1.39 N ATOM 1874 CA ASP A 125 -2.884 -14.890 -2.765 1.00 1.55 C ATOM 1875 C ASP A 125 -2.617 -15.481 -1.373 1.00 1.57 C ATOM 1876 O ASP A 125 -1.805 -16.408 -1.264 1.00 1.56 O ATOM 1877 CB ASP A 125 -3.464 -15.943 -3.727 1.00 1.62 C ATOM 1878 CG ASP A 125 -4.806 -15.511 -4.305 1.00 1.93 C ATOM 1879 OD1 ASP A 125 -5.648 -15.047 -3.506 1.00 2.85 O ATOM 1880 OD2 ASP A 125 -4.959 -15.647 -5.538 1.00 2.55 O ATOM 0 H ASP A 125 -0.984 -15.097 -3.612 1.00 1.39 H new ATOM 0 HA ASP A 125 -3.622 -14.093 -2.678 1.00 1.55 H new ATOM 0 HB2 ASP A 125 -2.759 -16.119 -4.540 1.00 1.62 H new ATOM 0 HB3 ASP A 125 -3.584 -16.889 -3.199 1.00 1.62 H new ATOM 1885 N PRO A 126 -3.211 -14.939 -0.295 1.00 1.64 N ATOM 1886 CA PRO A 126 -2.810 -15.251 1.069 1.00 1.67 C ATOM 1887 C PRO A 126 -3.429 -16.568 1.538 1.00 1.85 C ATOM 1888 O PRO A 126 -4.270 -16.603 2.434 1.00 1.96 O ATOM 1889 CB PRO A 126 -3.266 -14.049 1.893 1.00 1.69 C ATOM 1890 CG PRO A 126 -4.540 -13.611 1.172 1.00 1.80 C ATOM 1891 CD PRO A 126 -4.216 -13.887 -0.295 1.00 1.73 C ATOM 0 HA PRO A 126 -1.736 -15.405 1.169 1.00 1.67 H new ATOM 0 HB2 PRO A 126 -3.461 -14.320 2.931 1.00 1.69 H new ATOM 0 HB3 PRO A 126 -2.516 -13.258 1.905 1.00 1.69 H new ATOM 0 HG2 PRO A 126 -5.409 -14.178 1.507 1.00 1.80 H new ATOM 0 HG3 PRO A 126 -4.760 -12.558 1.346 1.00 1.80 H new ATOM 0 HD2 PRO A 126 -5.107 -14.200 -0.839 1.00 1.73 H new ATOM 0 HD3 PRO A 126 -3.841 -12.990 -0.787 1.00 1.73 H new ATOM 1899 N GLU A 127 -2.967 -17.658 0.933 1.00 1.90 N ATOM 1900 CA GLU A 127 -3.392 -19.015 1.233 1.00 2.04 C ATOM 1901 C GLU A 127 -2.415 -20.010 0.608 1.00 1.95 C ATOM 1902 O GLU A 127 -1.999 -20.967 1.257 1.00 2.00 O ATOM 1903 CB GLU A 127 -4.842 -19.263 0.781 1.00 2.20 C ATOM 1904 CG GLU A 127 -5.182 -18.810 -0.648 1.00 2.32 C ATOM 1905 CD GLU A 127 -6.569 -19.305 -1.040 1.00 2.41 C ATOM 1906 OE1 GLU A 127 -6.698 -20.539 -1.188 1.00 3.33 O ATOM 1907 OE2 GLU A 127 -7.477 -18.452 -1.154 1.00 2.49 O ATOM 0 H GLU A 127 -2.263 -17.616 0.196 1.00 1.90 H new ATOM 0 HA GLU A 127 -3.380 -19.159 2.313 1.00 2.04 H new ATOM 0 HB2 GLU A 127 -5.051 -20.329 0.864 1.00 2.20 H new ATOM 0 HB3 GLU A 127 -5.511 -18.752 1.473 1.00 2.20 H new ATOM 0 HG2 GLU A 127 -5.144 -17.722 -0.711 1.00 2.32 H new ATOM 0 HG3 GLU A 127 -4.439 -19.196 -1.346 1.00 2.32 H new ATOM 1914 N ILE A 128 -2.035 -19.773 -0.650 1.00 1.81 N ATOM 1915 CA ILE A 128 -1.177 -20.670 -1.401 1.00 1.73 C ATOM 1916 C ILE A 128 0.281 -20.482 -1.018 1.00 1.67 C ATOM 1917 O ILE A 128 1.035 -21.452 -0.946 1.00 1.70 O ATOM 1918 CB ILE A 128 -1.394 -20.533 -2.919 1.00 1.67 C ATOM 1919 CG1 ILE A 128 -1.269 -19.101 -3.473 1.00 1.72 C ATOM 1920 CG2 ILE A 128 -2.721 -21.209 -3.302 1.00 1.72 C ATOM 1921 CD1 ILE A 128 -1.750 -18.999 -4.919 1.00 1.58 C ATOM 0 H ILE A 128 -2.320 -18.945 -1.173 1.00 1.81 H new ATOM 0 HA ILE A 128 -1.456 -21.690 -1.136 1.00 1.73 H new ATOM 0 HB ILE A 128 -0.567 -21.050 -3.406 1.00 1.67 H new ATOM 0 HG12 ILE A 128 -1.849 -18.420 -2.850 1.00 1.72 H new ATOM 0 HG13 ILE A 128 -0.229 -18.780 -3.414 1.00 1.72 H new ATOM 0 HG21 ILE A 128 -2.880 -21.115 -4.376 1.00 1.72 H new ATOM 0 HG22 ILE A 128 -2.683 -22.264 -3.031 1.00 1.72 H new ATOM 0 HG23 ILE A 128 -3.541 -20.727 -2.770 1.00 1.72 H new ATOM 0 HD11 ILE A 128 -1.643 -17.971 -5.266 1.00 1.58 H new ATOM 0 HD12 ILE A 128 -1.153 -19.659 -5.548 1.00 1.58 H new ATOM 0 HD13 ILE A 128 -2.798 -19.294 -4.976 1.00 1.58 H new ATOM 1933 N ILE A 129 0.671 -19.231 -0.786 1.00 1.61 N ATOM 1934 CA ILE A 129 2.002 -18.877 -0.327 1.00 1.57 C ATOM 1935 C ILE A 129 1.885 -17.898 0.839 1.00 1.59 C ATOM 1936 O ILE A 129 0.860 -17.230 0.987 1.00 1.60 O ATOM 1937 CB ILE A 129 2.830 -18.341 -1.515 1.00 1.52 C ATOM 1938 CG1 ILE A 129 4.124 -19.134 -1.759 1.00 1.57 C ATOM 1939 CG2 ILE A 129 3.060 -16.824 -1.484 1.00 1.42 C ATOM 1940 CD1 ILE A 129 5.127 -19.094 -0.609 1.00 1.63 C ATOM 0 H ILE A 129 0.058 -18.426 -0.915 1.00 1.61 H new ATOM 0 HA ILE A 129 2.537 -19.749 0.050 1.00 1.57 H new ATOM 0 HB ILE A 129 2.200 -18.515 -2.387 1.00 1.52 H new ATOM 0 HG12 ILE A 129 3.864 -20.173 -1.959 1.00 1.57 H new ATOM 0 HG13 ILE A 129 4.606 -18.747 -2.657 1.00 1.57 H new ATOM 0 HG21 ILE A 129 3.649 -16.528 -2.352 1.00 1.42 H new ATOM 0 HG22 ILE A 129 2.099 -16.310 -1.505 1.00 1.42 H new ATOM 0 HG23 ILE A 129 3.595 -16.556 -0.573 1.00 1.42 H new ATOM 0 HD11 ILE A 129 6.007 -19.681 -0.873 1.00 1.63 H new ATOM 0 HD12 ILE A 129 5.423 -18.062 -0.420 1.00 1.63 H new ATOM 0 HD13 ILE A 129 4.669 -19.510 0.288 1.00 1.63 H new ATOM 1952 N GLY A 130 2.938 -17.817 1.653 1.00 1.64 N ATOM 1953 CA GLY A 130 3.032 -16.936 2.803 1.00 1.70 C ATOM 1954 C GLY A 130 4.269 -16.044 2.693 1.00 1.45 C ATOM 1955 O GLY A 130 5.130 -16.259 1.839 1.00 1.28 O ATOM 0 H GLY A 130 3.774 -18.385 1.520 1.00 1.64 H new ATOM 0 HA2 GLY A 130 2.136 -16.319 2.870 1.00 1.70 H new ATOM 0 HA3 GLY A 130 3.082 -17.526 3.718 1.00 1.70 H new ATOM 1959 N PRO A 131 4.375 -15.020 3.554 1.00 1.48 N ATOM 1960 CA PRO A 131 5.530 -14.143 3.591 1.00 1.39 C ATOM 1961 C PRO A 131 6.760 -14.903 4.088 1.00 1.42 C ATOM 1962 O PRO A 131 7.850 -14.728 3.551 1.00 1.34 O ATOM 1963 CB PRO A 131 5.141 -12.993 4.526 1.00 1.44 C ATOM 1964 CG PRO A 131 4.087 -13.611 5.448 1.00 1.61 C ATOM 1965 CD PRO A 131 3.387 -14.631 4.547 1.00 1.61 C ATOM 0 HA PRO A 131 5.796 -13.762 2.605 1.00 1.39 H new ATOM 0 HB2 PRO A 131 6.000 -12.628 5.089 1.00 1.44 H new ATOM 0 HB3 PRO A 131 4.739 -12.145 3.971 1.00 1.44 H new ATOM 0 HG2 PRO A 131 4.542 -14.087 6.317 1.00 1.61 H new ATOM 0 HG3 PRO A 131 3.391 -12.861 5.823 1.00 1.61 H new ATOM 0 HD2 PRO A 131 3.048 -15.493 5.121 1.00 1.61 H new ATOM 0 HD3 PRO A 131 2.506 -14.197 4.074 1.00 1.61 H new ATOM 1973 N ARG A 132 6.598 -15.742 5.116 1.00 1.58 N ATOM 1974 CA ARG A 132 7.687 -16.477 5.735 1.00 1.64 C ATOM 1975 C ARG A 132 8.532 -17.241 4.714 1.00 1.60 C ATOM 1976 O ARG A 132 9.753 -17.275 4.836 1.00 1.59 O ATOM 1977 CB ARG A 132 7.145 -17.390 6.851 1.00 1.82 C ATOM 1978 CG ARG A 132 7.801 -16.978 8.171 1.00 3.30 C ATOM 1979 CD ARG A 132 7.357 -17.823 9.370 1.00 3.61 C ATOM 1980 NE ARG A 132 5.994 -17.459 9.799 1.00 4.24 N ATOM 1981 CZ ARG A 132 5.578 -17.248 11.062 1.00 5.41 C ATOM 1982 NH1 ARG A 132 6.389 -17.488 12.100 1.00 5.90 N ATOM 1983 NH2 ARG A 132 4.341 -16.790 11.284 1.00 6.62 N ATOM 0 H ARG A 132 5.690 -15.927 5.542 1.00 1.58 H new ATOM 0 HA ARG A 132 8.364 -15.754 6.190 1.00 1.64 H new ATOM 0 HB2 ARG A 132 6.061 -17.300 6.922 1.00 1.82 H new ATOM 0 HB3 ARG A 132 7.365 -18.434 6.628 1.00 1.82 H new ATOM 0 HG2 ARG A 132 8.884 -17.052 8.067 1.00 3.30 H new ATOM 0 HG3 ARG A 132 7.570 -15.931 8.370 1.00 3.30 H new ATOM 0 HD2 ARG A 132 7.389 -18.880 9.106 1.00 3.61 H new ATOM 0 HD3 ARG A 132 8.052 -17.680 10.197 1.00 3.61 H new ATOM 0 HE ARG A 132 5.295 -17.357 9.064 1.00 4.24 H new ATOM 0 HH11 ARG A 132 7.335 -17.835 11.939 1.00 5.90 H new ATOM 0 HH12 ARG A 132 6.061 -17.324 13.052 1.00 5.90 H new ATOM 0 HH21 ARG A 132 3.718 -16.602 10.498 1.00 6.62 H new ATOM 0 HH22 ARG A 132 4.021 -16.628 12.239 1.00 6.62 H new ATOM 1997 N ASP A 133 7.897 -17.838 3.709 1.00 1.63 N ATOM 1998 CA ASP A 133 8.571 -18.573 2.655 1.00 1.58 C ATOM 1999 C ASP A 133 9.492 -17.625 1.886 1.00 1.44 C ATOM 2000 O ASP A 133 10.670 -17.907 1.672 1.00 1.41 O ATOM 2001 CB ASP A 133 7.511 -19.171 1.720 1.00 1.61 C ATOM 2002 CG ASP A 133 6.348 -19.805 2.475 1.00 2.57 C ATOM 2003 OD1 ASP A 133 5.560 -19.011 3.041 1.00 3.95 O ATOM 2004 OD2 ASP A 133 6.280 -21.051 2.487 1.00 3.29 O ATOM 0 H ASP A 133 6.882 -17.821 3.607 1.00 1.63 H new ATOM 0 HA ASP A 133 9.174 -19.377 3.076 1.00 1.58 H new ATOM 0 HB2 ASP A 133 7.129 -18.389 1.064 1.00 1.61 H new ATOM 0 HB3 ASP A 133 7.977 -19.922 1.083 1.00 1.61 H new ATOM 2009 N ILE A 134 8.936 -16.479 1.482 1.00 1.34 N ATOM 2010 CA ILE A 134 9.641 -15.459 0.725 1.00 1.18 C ATOM 2011 C ILE A 134 10.830 -14.970 1.556 1.00 1.10 C ATOM 2012 O ILE A 134 11.953 -14.879 1.057 1.00 1.04 O ATOM 2013 CB ILE A 134 8.676 -14.314 0.346 1.00 1.14 C ATOM 2014 CG1 ILE A 134 7.469 -14.842 -0.459 1.00 1.29 C ATOM 2015 CG2 ILE A 134 9.426 -13.245 -0.456 1.00 1.04 C ATOM 2016 CD1 ILE A 134 6.414 -13.769 -0.759 1.00 1.10 C ATOM 0 H ILE A 134 7.965 -16.237 1.679 1.00 1.34 H new ATOM 0 HA ILE A 134 10.022 -15.869 -0.210 1.00 1.18 H new ATOM 0 HB ILE A 134 8.294 -13.870 1.265 1.00 1.14 H new ATOM 0 HG12 ILE A 134 7.826 -15.262 -1.400 1.00 1.29 H new ATOM 0 HG13 ILE A 134 7.001 -15.655 0.096 1.00 1.29 H new ATOM 0 HG21 ILE A 134 8.740 -12.440 -0.720 1.00 1.04 H new ATOM 0 HG22 ILE A 134 10.241 -12.844 0.146 1.00 1.04 H new ATOM 0 HG23 ILE A 134 9.831 -13.690 -1.365 1.00 1.04 H new ATOM 0 HD11 ILE A 134 5.596 -14.212 -1.327 1.00 1.10 H new ATOM 0 HD12 ILE A 134 6.029 -13.366 0.177 1.00 1.10 H new ATOM 0 HD13 ILE A 134 6.867 -12.966 -1.341 1.00 1.10 H new ATOM 2028 N ILE A 135 10.575 -14.676 2.834 1.00 1.17 N ATOM 2029 CA ILE A 135 11.599 -14.301 3.794 1.00 1.18 C ATOM 2030 C ILE A 135 12.700 -15.365 3.772 1.00 1.26 C ATOM 2031 O ILE A 135 13.827 -15.037 3.425 1.00 1.20 O ATOM 2032 CB ILE A 135 10.985 -14.025 5.179 1.00 1.32 C ATOM 2033 CG1 ILE A 135 10.121 -12.751 5.093 1.00 1.48 C ATOM 2034 CG2 ILE A 135 12.079 -13.847 6.243 1.00 2.01 C ATOM 2035 CD1 ILE A 135 9.253 -12.512 6.332 1.00 1.57 C ATOM 0 H ILE A 135 9.635 -14.694 3.230 1.00 1.17 H new ATOM 0 HA ILE A 135 12.069 -13.356 3.520 1.00 1.18 H new ATOM 0 HB ILE A 135 10.371 -14.876 5.472 1.00 1.32 H new ATOM 0 HG12 ILE A 135 10.773 -11.890 4.945 1.00 1.48 H new ATOM 0 HG13 ILE A 135 9.477 -12.818 4.216 1.00 1.48 H new ATOM 0 HG21 ILE A 135 11.617 -13.653 7.211 1.00 2.01 H new ATOM 0 HG22 ILE A 135 12.680 -14.755 6.303 1.00 2.01 H new ATOM 0 HG23 ILE A 135 12.718 -13.007 5.971 1.00 2.01 H new ATOM 0 HD11 ILE A 135 8.673 -11.598 6.199 1.00 1.57 H new ATOM 0 HD12 ILE A 135 8.576 -13.355 6.470 1.00 1.57 H new ATOM 0 HD13 ILE A 135 9.891 -12.412 7.210 1.00 1.57 H new ATOM 2047 N LYS A 136 12.387 -16.631 4.058 1.00 1.41 N ATOM 2048 CA LYS A 136 13.341 -17.716 4.054 1.00 1.51 C ATOM 2049 C LYS A 136 14.188 -17.744 2.780 1.00 1.43 C ATOM 2050 O LYS A 136 15.413 -17.834 2.854 1.00 1.46 O ATOM 2051 CB LYS A 136 12.588 -19.033 4.276 1.00 1.67 C ATOM 2052 CG LYS A 136 13.549 -19.971 4.985 1.00 2.53 C ATOM 2053 CD LYS A 136 13.004 -21.401 5.060 1.00 2.46 C ATOM 2054 CE LYS A 136 14.066 -22.317 5.684 1.00 4.04 C ATOM 2055 NZ LYS A 136 13.567 -23.693 5.880 1.00 4.13 N ATOM 0 H LYS A 136 11.441 -16.925 4.302 1.00 1.41 H new ATOM 0 HA LYS A 136 14.051 -17.566 4.867 1.00 1.51 H new ATOM 0 HB2 LYS A 136 11.693 -18.870 4.876 1.00 1.67 H new ATOM 0 HB3 LYS A 136 12.263 -19.458 3.326 1.00 1.67 H new ATOM 0 HG2 LYS A 136 14.505 -19.974 4.461 1.00 2.53 H new ATOM 0 HG3 LYS A 136 13.739 -19.602 5.993 1.00 2.53 H new ATOM 0 HD2 LYS A 136 12.092 -21.424 5.656 1.00 2.46 H new ATOM 0 HD3 LYS A 136 12.742 -21.755 4.063 1.00 2.46 H new ATOM 0 HE2 LYS A 136 14.947 -22.339 5.043 1.00 4.04 H new ATOM 0 HE3 LYS A 136 14.380 -21.906 6.643 1.00 4.04 H new ATOM 0 HZ1 LYS A 136 14.316 -24.277 6.303 1.00 4.13 H new ATOM 0 HZ2 LYS A 136 12.742 -23.676 6.513 1.00 4.13 H new ATOM 0 HZ3 LYS A 136 13.291 -24.096 4.962 1.00 4.13 H new ATOM 2069 N ILE A 137 13.545 -17.657 1.613 1.00 1.36 N ATOM 2070 CA ILE A 137 14.263 -17.574 0.348 1.00 1.34 C ATOM 2071 C ILE A 137 15.310 -16.452 0.416 1.00 1.24 C ATOM 2072 O ILE A 137 16.491 -16.687 0.153 1.00 1.34 O ATOM 2073 CB ILE A 137 13.264 -17.407 -0.816 1.00 1.34 C ATOM 2074 CG1 ILE A 137 12.416 -18.674 -1.047 1.00 1.48 C ATOM 2075 CG2 ILE A 137 13.948 -16.973 -2.117 1.00 1.36 C ATOM 2076 CD1 ILE A 137 13.144 -19.809 -1.776 1.00 2.46 C ATOM 0 H ILE A 137 12.529 -17.643 1.522 1.00 1.36 H new ATOM 0 HA ILE A 137 14.806 -18.500 0.161 1.00 1.34 H new ATOM 0 HB ILE A 137 12.590 -16.606 -0.513 1.00 1.34 H new ATOM 0 HG12 ILE A 137 12.070 -19.044 -0.082 1.00 1.48 H new ATOM 0 HG13 ILE A 137 11.530 -18.402 -1.620 1.00 1.48 H new ATOM 0 HG21 ILE A 137 13.201 -16.870 -2.904 1.00 1.36 H new ATOM 0 HG22 ILE A 137 14.448 -16.017 -1.964 1.00 1.36 H new ATOM 0 HG23 ILE A 137 14.682 -17.723 -2.410 1.00 1.36 H new ATOM 0 HD11 ILE A 137 12.470 -20.657 -1.893 1.00 2.46 H new ATOM 0 HD12 ILE A 137 13.466 -19.463 -2.758 1.00 2.46 H new ATOM 0 HD13 ILE A 137 14.014 -20.115 -1.196 1.00 2.46 H new ATOM 2088 N ILE A 138 14.911 -15.228 0.778 1.00 1.11 N ATOM 2089 CA ILE A 138 15.883 -14.140 0.829 1.00 1.04 C ATOM 2090 C ILE A 138 16.893 -14.247 1.977 1.00 1.13 C ATOM 2091 O ILE A 138 18.015 -13.772 1.819 1.00 1.16 O ATOM 2092 CB ILE A 138 15.262 -12.751 0.641 1.00 0.96 C ATOM 2093 CG1 ILE A 138 14.246 -12.312 1.696 1.00 0.98 C ATOM 2094 CG2 ILE A 138 14.584 -12.654 -0.738 1.00 0.99 C ATOM 2095 CD1 ILE A 138 14.830 -11.934 3.054 1.00 1.50 C ATOM 0 H ILE A 138 13.956 -14.974 1.031 1.00 1.11 H new ATOM 0 HA ILE A 138 16.501 -14.276 -0.058 1.00 1.04 H new ATOM 0 HB ILE A 138 16.112 -12.076 0.742 1.00 0.96 H new ATOM 0 HG12 ILE A 138 13.692 -11.457 1.308 1.00 0.98 H new ATOM 0 HG13 ILE A 138 13.527 -13.119 1.841 1.00 0.98 H new ATOM 0 HG21 ILE A 138 14.147 -11.663 -0.860 1.00 0.99 H new ATOM 0 HG22 ILE A 138 15.324 -12.822 -1.520 1.00 0.99 H new ATOM 0 HG23 ILE A 138 13.800 -13.408 -0.812 1.00 0.99 H new ATOM 0 HD11 ILE A 138 14.025 -11.638 3.727 1.00 1.50 H new ATOM 0 HD12 ILE A 138 15.358 -12.790 3.474 1.00 1.50 H new ATOM 0 HD13 ILE A 138 15.525 -11.103 2.933 1.00 1.50 H new ATOM 2107 N GLU A 139 16.551 -14.898 3.091 1.00 1.21 N ATOM 2108 CA GLU A 139 17.508 -15.238 4.140 1.00 1.34 C ATOM 2109 C GLU A 139 18.591 -16.141 3.554 1.00 1.41 C ATOM 2110 O GLU A 139 19.774 -15.953 3.823 1.00 1.48 O ATOM 2111 CB GLU A 139 16.840 -15.965 5.320 1.00 1.43 C ATOM 2112 CG GLU A 139 15.878 -15.102 6.143 1.00 1.42 C ATOM 2113 CD GLU A 139 15.336 -15.894 7.329 1.00 1.53 C ATOM 2114 OE1 GLU A 139 14.339 -16.621 7.127 1.00 2.27 O ATOM 2115 OE2 GLU A 139 15.946 -15.781 8.412 1.00 2.65 O ATOM 0 H GLU A 139 15.598 -15.204 3.289 1.00 1.21 H new ATOM 0 HA GLU A 139 17.934 -14.308 4.515 1.00 1.34 H new ATOM 0 HB2 GLU A 139 16.295 -16.827 4.936 1.00 1.43 H new ATOM 0 HB3 GLU A 139 17.618 -16.348 5.980 1.00 1.43 H new ATOM 0 HG2 GLU A 139 16.393 -14.210 6.498 1.00 1.42 H new ATOM 0 HG3 GLU A 139 15.053 -14.765 5.515 1.00 1.42 H new ATOM 2122 N GLU A 140 18.179 -17.121 2.744 1.00 1.43 N ATOM 2123 CA GLU A 140 19.086 -18.071 2.123 1.00 1.52 C ATOM 2124 C GLU A 140 20.020 -17.324 1.168 1.00 1.36 C ATOM 2125 O GLU A 140 21.212 -17.617 1.100 1.00 1.47 O ATOM 2126 CB GLU A 140 18.269 -19.177 1.437 1.00 1.65 C ATOM 2127 CG GLU A 140 19.084 -20.452 1.194 1.00 2.06 C ATOM 2128 CD GLU A 140 18.188 -21.558 0.652 1.00 2.32 C ATOM 2129 OE1 GLU A 140 17.939 -21.536 -0.571 1.00 2.85 O ATOM 2130 OE2 GLU A 140 17.744 -22.385 1.479 1.00 3.21 O ATOM 0 H GLU A 140 17.199 -17.272 2.504 1.00 1.43 H new ATOM 0 HA GLU A 140 19.717 -18.559 2.866 1.00 1.52 H new ATOM 0 HB2 GLU A 140 17.402 -19.417 2.052 1.00 1.65 H new ATOM 0 HB3 GLU A 140 17.891 -18.806 0.485 1.00 1.65 H new ATOM 0 HG2 GLU A 140 19.889 -20.248 0.488 1.00 2.06 H new ATOM 0 HG3 GLU A 140 19.551 -20.776 2.124 1.00 2.06 H new ATOM 2137 N ILE A 141 19.490 -16.321 0.458 1.00 1.14 N ATOM 2138 CA ILE A 141 20.320 -15.428 -0.341 1.00 1.05 C ATOM 2139 C ILE A 141 21.260 -14.623 0.566 1.00 1.10 C ATOM 2140 O ILE A 141 22.435 -14.449 0.251 1.00 1.15 O ATOM 2141 CB ILE A 141 19.440 -14.506 -1.203 1.00 0.91 C ATOM 2142 CG1 ILE A 141 18.612 -15.338 -2.190 1.00 0.97 C ATOM 2143 CG2 ILE A 141 20.343 -13.560 -2.005 1.00 0.96 C ATOM 2144 CD1 ILE A 141 17.424 -14.591 -2.802 1.00 0.98 C ATOM 0 H ILE A 141 18.492 -16.112 0.424 1.00 1.14 H new ATOM 0 HA ILE A 141 20.936 -16.023 -1.015 1.00 1.05 H new ATOM 0 HB ILE A 141 18.773 -13.942 -0.551 1.00 0.91 H new ATOM 0 HG12 ILE A 141 19.263 -15.681 -2.994 1.00 0.97 H new ATOM 0 HG13 ILE A 141 18.243 -16.226 -1.678 1.00 0.97 H new ATOM 0 HG21 ILE A 141 19.727 -12.903 -2.619 1.00 0.96 H new ATOM 0 HG22 ILE A 141 20.942 -12.960 -1.319 1.00 0.96 H new ATOM 0 HG23 ILE A 141 21.002 -14.144 -2.647 1.00 0.96 H new ATOM 0 HD11 ILE A 141 16.893 -15.251 -3.488 1.00 0.98 H new ATOM 0 HD12 ILE A 141 16.748 -14.271 -2.009 1.00 0.98 H new ATOM 0 HD13 ILE A 141 17.784 -13.718 -3.346 1.00 0.98 H new ATOM 2156 N GLY A 142 20.717 -14.098 1.664 1.00 1.14 N ATOM 2157 CA GLY A 142 21.414 -13.285 2.644 1.00 1.25 C ATOM 2158 C GLY A 142 20.947 -11.830 2.640 1.00 1.18 C ATOM 2159 O GLY A 142 21.699 -10.969 3.092 1.00 1.22 O ATOM 0 H GLY A 142 19.734 -14.238 1.900 1.00 1.14 H new ATOM 0 HA2 GLY A 142 21.262 -13.709 3.637 1.00 1.25 H new ATOM 0 HA3 GLY A 142 22.485 -13.320 2.444 1.00 1.25 H new ATOM 2163 N PHE A 143 19.722 -11.535 2.176 1.00 1.11 N ATOM 2164 CA PHE A 143 19.103 -10.234 2.444 1.00 1.06 C ATOM 2165 C PHE A 143 18.102 -10.391 3.590 1.00 1.04 C ATOM 2166 O PHE A 143 17.908 -11.498 4.087 1.00 1.10 O ATOM 2167 CB PHE A 143 18.456 -9.682 1.168 1.00 1.07 C ATOM 2168 CG PHE A 143 19.471 -9.331 0.099 1.00 1.25 C ATOM 2169 CD1 PHE A 143 20.159 -8.104 0.159 1.00 2.59 C ATOM 2170 CD2 PHE A 143 19.832 -10.286 -0.867 1.00 1.66 C ATOM 2171 CE1 PHE A 143 21.160 -7.813 -0.785 1.00 2.81 C ATOM 2172 CE2 PHE A 143 20.851 -10.003 -1.795 1.00 1.79 C ATOM 2173 CZ PHE A 143 21.465 -8.738 -1.799 1.00 1.78 C ATOM 0 H PHE A 143 19.150 -12.172 1.621 1.00 1.11 H new ATOM 0 HA PHE A 143 19.856 -9.508 2.750 1.00 1.06 H new ATOM 0 HB2 PHE A 143 17.758 -10.420 0.772 1.00 1.07 H new ATOM 0 HB3 PHE A 143 17.874 -8.794 1.416 1.00 1.07 H new ATOM 0 HD1 PHE A 143 19.918 -7.387 0.930 1.00 2.59 H new ATOM 0 HD2 PHE A 143 19.326 -11.240 -0.897 1.00 1.66 H new ATOM 0 HE1 PHE A 143 21.696 -6.877 -0.731 1.00 2.81 H new ATOM 0 HE2 PHE A 143 21.161 -10.757 -2.504 1.00 1.79 H new ATOM 0 HZ PHE A 143 22.167 -8.478 -2.577 1.00 1.78 H new ATOM 2183 N HIS A 144 17.446 -9.300 4.003 1.00 0.98 N ATOM 2184 CA HIS A 144 16.361 -9.346 4.967 1.00 0.94 C ATOM 2185 C HIS A 144 15.279 -8.408 4.434 1.00 0.99 C ATOM 2186 O HIS A 144 15.593 -7.301 3.994 1.00 1.03 O ATOM 2187 CB HIS A 144 16.884 -8.974 6.360 1.00 0.91 C ATOM 2188 CG HIS A 144 15.917 -9.173 7.505 1.00 1.62 C ATOM 2189 ND1 HIS A 144 16.086 -8.670 8.776 1.00 2.82 N ATOM 2190 CD2 HIS A 144 14.809 -9.983 7.533 1.00 2.80 C ATOM 2191 CE1 HIS A 144 15.091 -9.150 9.541 1.00 3.94 C ATOM 2192 NE2 HIS A 144 14.279 -9.943 8.825 1.00 4.05 N ATOM 0 H HIS A 144 17.661 -8.360 3.671 1.00 0.98 H new ATOM 0 HA HIS A 144 15.935 -10.342 5.084 1.00 0.94 H new ATOM 0 HB2 HIS A 144 17.779 -9.563 6.560 1.00 0.91 H new ATOM 0 HB3 HIS A 144 17.188 -7.927 6.345 1.00 0.91 H new ATOM 0 HD2 HIS A 144 14.416 -10.551 6.703 1.00 2.80 H new ATOM 0 HE1 HIS A 144 14.962 -8.928 10.590 1.00 3.94 H new ATOM 0 HE2 HIS A 144 13.442 -10.421 9.158 1.00 4.05 H new ATOM 2200 N ALA A 145 14.039 -8.901 4.385 1.00 1.03 N ATOM 2201 CA ALA A 145 12.894 -8.258 3.761 1.00 1.13 C ATOM 2202 C ALA A 145 11.785 -8.150 4.804 1.00 1.16 C ATOM 2203 O ALA A 145 11.084 -9.131 5.045 1.00 1.36 O ATOM 2204 CB ALA A 145 12.439 -9.089 2.558 1.00 1.36 C ATOM 0 H ALA A 145 13.801 -9.802 4.801 1.00 1.03 H new ATOM 0 HA ALA A 145 13.152 -7.261 3.404 1.00 1.13 H new ATOM 0 HB1 ALA A 145 11.580 -8.609 2.088 1.00 1.36 H new ATOM 0 HB2 ALA A 145 13.253 -9.162 1.837 1.00 1.36 H new ATOM 0 HB3 ALA A 145 12.159 -10.088 2.891 1.00 1.36 H new ATOM 2210 N SER A 146 11.647 -6.997 5.461 1.00 1.06 N ATOM 2211 CA SER A 146 10.692 -6.829 6.549 1.00 1.12 C ATOM 2212 C SER A 146 10.099 -5.425 6.486 1.00 1.34 C ATOM 2213 O SER A 146 10.846 -4.474 6.272 1.00 1.64 O ATOM 2214 CB SER A 146 11.391 -7.125 7.886 1.00 1.43 C ATOM 2215 OG SER A 146 12.647 -6.476 7.967 1.00 1.90 O ATOM 0 H SER A 146 12.192 -6.160 5.253 1.00 1.06 H new ATOM 0 HA SER A 146 9.864 -7.532 6.455 1.00 1.12 H new ATOM 0 HB2 SER A 146 10.757 -6.798 8.710 1.00 1.43 H new ATOM 0 HB3 SER A 146 11.528 -8.201 7.997 1.00 1.43 H new ATOM 0 HG SER A 146 13.066 -6.682 8.829 1.00 1.90 H new ATOM 2221 N LEU A 147 8.770 -5.294 6.622 1.00 1.67 N ATOM 2222 CA LEU A 147 8.064 -4.030 6.777 1.00 2.28 C ATOM 2223 C LEU A 147 6.584 -4.312 7.043 1.00 1.78 C ATOM 2224 O LEU A 147 6.217 -4.549 8.190 1.00 2.35 O ATOM 2225 CB LEU A 147 8.295 -3.088 5.580 1.00 4.41 C ATOM 2226 CG LEU A 147 8.574 -1.627 5.950 1.00 6.23 C ATOM 2227 CD1 LEU A 147 7.267 -1.017 6.427 1.00 6.67 C ATOM 2228 CD2 LEU A 147 9.646 -1.363 7.020 1.00 7.69 C ATOM 0 H LEU A 147 8.143 -6.099 6.626 1.00 1.67 H new ATOM 0 HA LEU A 147 8.467 -3.495 7.637 1.00 2.28 H new ATOM 0 HB2 LEU A 147 9.134 -3.466 4.996 1.00 4.41 H new ATOM 0 HB3 LEU A 147 7.417 -3.122 4.935 1.00 4.41 H new ATOM 0 HG LEU A 147 8.981 -1.179 5.044 1.00 6.23 H new ATOM 0 HD11 LEU A 147 7.430 0.026 6.699 1.00 6.67 H new ATOM 0 HD12 LEU A 147 6.527 -1.072 5.629 1.00 6.67 H new ATOM 0 HD13 LEU A 147 6.905 -1.566 7.296 1.00 6.67 H new ATOM 0 HD21 LEU A 147 9.740 -0.289 7.183 1.00 7.69 H new ATOM 0 HD22 LEU A 147 9.357 -1.848 7.952 1.00 7.69 H new ATOM 0 HD23 LEU A 147 10.602 -1.764 6.684 1.00 7.69 H new ATOM 2240 N ALA A 148 5.753 -4.315 5.994 1.00 2.36 N ATOM 2241 CA ALA A 148 4.302 -4.347 6.043 1.00 4.23 C ATOM 2242 C ALA A 148 3.715 -3.521 7.190 1.00 4.21 C ATOM 2243 O ALA A 148 2.716 -3.939 7.779 1.00 5.71 O ATOM 2244 CB ALA A 148 3.846 -5.806 6.066 1.00 6.04 C ATOM 0 H ALA A 148 6.104 -4.294 5.037 1.00 2.36 H new ATOM 0 HA ALA A 148 3.913 -3.865 5.146 1.00 4.23 H new ATOM 0 HB1 ALA A 148 2.757 -5.846 6.103 1.00 6.04 H new ATOM 0 HB2 ALA A 148 4.198 -6.311 5.166 1.00 6.04 H new ATOM 0 HB3 ALA A 148 4.257 -6.302 6.945 1.00 6.04 H new ATOM 2250 N GLN A 149 4.319 -2.372 7.524 1.00 3.20 N ATOM 2251 CA GLN A 149 3.855 -1.586 8.663 1.00 3.90 C ATOM 2252 C GLN A 149 4.464 -0.181 8.642 1.00 4.39 C ATOM 2253 O GLN A 149 4.946 0.216 7.562 1.00 4.83 O ATOM 2254 CB GLN A 149 4.181 -2.320 9.980 1.00 4.20 C ATOM 2255 CG GLN A 149 3.212 -1.929 11.109 1.00 4.92 C ATOM 2256 CD GLN A 149 3.942 -1.455 12.360 1.00 5.37 C ATOM 2257 OE1 GLN A 149 3.865 -2.080 13.414 1.00 6.32 O ATOM 2258 NE2 GLN A 149 4.644 -0.335 12.252 1.00 5.59 N ATOM 2259 OXT GLN A 149 4.454 0.470 9.712 1.00 5.04 O ATOM 0 H GLN A 149 5.117 -1.976 7.027 1.00 3.20 H new ATOM 0 HA GLN A 149 2.773 -1.473 8.593 1.00 3.90 H new ATOM 0 HB2 GLN A 149 4.133 -3.397 9.817 1.00 4.20 H new ATOM 0 HB3 GLN A 149 5.202 -2.088 10.282 1.00 4.20 H new ATOM 0 HG2 GLN A 149 2.548 -1.139 10.757 1.00 4.92 H new ATOM 0 HG3 GLN A 149 2.585 -2.785 11.359 1.00 4.92 H new ATOM 0 HE21 GLN A 149 4.685 0.157 11.360 1.00 5.59 H new ATOM 0 HE22 GLN A 149 5.143 0.034 13.061 1.00 5.59 H new TER 2268 GLN A 149