USER MOD reduce.3.24.130724 H: found=0, std=0, add=1162, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1038 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 28 ASN : amide:sc= -0.0295 K(o=1.6,f=0.98) USER MOD Set 1.2: B 32 SER OG : rot 47:sc= 0.645 USER MOD Set 1.3: B 36 LYS NZ :NH3+ -167:sc= 0.978 (180deg=0.837) USER MOD Set 1.4: B 78 HIS : no HD1:sc= 0 X(o=1.6,f=1.4) USER MOD Set 2.1: A 46 SER OG : rot 95:sc= 0.133 USER MOD Set 2.2: B 53 CYS SG : rot -140:sc= -2.48 USER MOD Set 3.1: A 28 ASN : amide:sc= -0.0267 K(o=1.6,f=1) USER MOD Set 3.2: A 32 SER OG : rot 47:sc= 0.65 USER MOD Set 3.3: A 36 LYS NZ :NH3+ -167:sc= 1.03 (180deg=0.842) USER MOD Set 3.4: A 78 HIS : no HD1:sc= 0 X(o=1.6,f=1.4) USER MOD Set 4.1: A 53 CYS SG : rot -130:sc= -2.62 USER MOD Set 4.2: B 46 SER OG : rot 95:sc= 0.14 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 147:sc= -1.45 (180deg=-3.53!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 76:sc= 1.23 USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.19) USER MOD Single : A 29 TYR OH : rot -15:sc= -1.41 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= -0.0442 (180deg=-0.243) USER MOD Single : A 40 SER OG : rot 19:sc= 0.686 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.596 F(o=-1.1!,f=-0.6) USER MOD Single : A 51 MET CE :methyl 172:sc= -3.49! (180deg=-3.6!) USER MOD Single : A 55 SER OG : rot 86:sc= 1.23 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -74:sc= 1.21 USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= 1.25 (180deg=0.416) USER MOD Single : A 77 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.19) USER MOD Single : A 84 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.1!) USER MOD Single : A 85 SER OG : rot -32:sc= 0.177 USER MOD Single : A 87 SER OG : rot 51:sc= 0.0672 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl 147:sc= -1.46 (180deg=-3.71!) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 81:sc= 1.19 USER MOD Single : B 19 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.13) USER MOD Single : B 29 TYR OH : rot -15:sc= -1.42 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ -164:sc= -0.0433 (180deg=-0.263) USER MOD Single : B 40 SER OG : rot 19:sc= 0.66 USER MOD Single : B 48 ASN :FLIP amide:sc= -0.619 F(o=-1.3!,f=-0.62) USER MOD Single : B 51 MET CE :methyl 171:sc= -3.5! (180deg=-3.64!) USER MOD Single : B 55 SER OG : rot 84:sc= 1.25 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot -75:sc= 1.23 USER MOD Single : B 75 LYS NZ :NH3+ 162:sc= 1.24 (180deg=0.301) USER MOD Single : B 77 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.18) USER MOD Single : B 84 ASN : amide:sc= -1 K(o=-1,f=-3!) USER MOD Single : B 85 SER OG : rot -27:sc= 0.117 USER MOD Single : B 87 SER OG : rot 51:sc= 0.0633 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 14 -14.523 -10.723 7.372 1.00 4.47 N ATOM 2 CA MET A 14 -14.093 -11.512 6.196 1.00 3.81 C ATOM 3 C MET A 14 -12.575 -11.620 6.150 1.00 2.82 C ATOM 4 O MET A 14 -12.007 -12.627 6.567 1.00 2.99 O ATOM 5 CB MET A 14 -14.614 -10.879 4.902 1.00 4.50 C ATOM 6 CG MET A 14 -16.130 -10.831 4.812 1.00 5.02 C ATOM 7 SD MET A 14 -16.708 -10.011 3.317 1.00 5.80 S ATOM 8 CE MET A 14 -18.477 -10.016 3.592 1.00 6.45 C ATOM 0 HA MET A 14 -14.512 -12.514 6.288 1.00 3.81 H new ATOM 0 HB2 MET A 14 -14.222 -9.865 4.821 1.00 4.50 H new ATOM 0 HB3 MET A 14 -14.226 -11.440 4.052 1.00 4.50 H new ATOM 0 HG2 MET A 14 -16.525 -11.847 4.841 1.00 5.02 H new ATOM 0 HG3 MET A 14 -16.526 -10.310 5.684 1.00 5.02 H new ATOM 0 HE1 MET A 14 -18.978 -9.540 2.749 1.00 6.45 H new ATOM 0 HE2 MET A 14 -18.827 -11.044 3.689 1.00 6.45 H new ATOM 0 HE3 MET A 14 -18.705 -9.467 4.506 1.00 6.45 H new ATOM 20 N MET A 15 -11.916 -10.577 5.661 1.00 2.12 N ATOM 21 CA MET A 15 -10.463 -10.580 5.556 1.00 1.95 C ATOM 22 C MET A 15 -9.818 -9.988 6.801 1.00 1.69 C ATOM 23 O MET A 15 -8.799 -10.485 7.280 1.00 2.48 O ATOM 24 CB MET A 15 -9.991 -9.807 4.315 1.00 2.52 C ATOM 25 CG MET A 15 -10.453 -8.353 4.259 1.00 3.07 C ATOM 26 SD MET A 15 -12.191 -8.177 3.809 1.00 3.93 S ATOM 27 CE MET A 15 -12.128 -8.619 2.077 1.00 4.73 C ATOM 0 H MET A 15 -12.363 -9.721 5.332 1.00 2.12 H new ATOM 0 HA MET A 15 -10.153 -11.621 5.460 1.00 1.95 H new ATOM 0 HB2 MET A 15 -8.902 -9.830 4.281 1.00 2.52 H new ATOM 0 HB3 MET A 15 -10.349 -10.323 3.424 1.00 2.52 H new ATOM 0 HG2 MET A 15 -10.287 -7.888 5.231 1.00 3.07 H new ATOM 0 HG3 MET A 15 -9.841 -7.811 3.538 1.00 3.07 H new ATOM 0 HE1 MET A 15 -13.054 -9.120 1.795 1.00 4.73 H new ATOM 0 HE2 MET A 15 -12.005 -7.718 1.476 1.00 4.73 H new ATOM 0 HE3 MET A 15 -11.286 -9.289 1.903 1.00 4.73 H new ATOM 37 N SER A 16 -10.422 -8.911 7.300 1.00 1.19 N ATOM 38 CA SER A 16 -9.922 -8.158 8.454 1.00 1.17 C ATOM 39 C SER A 16 -8.670 -7.353 8.100 1.00 1.05 C ATOM 40 O SER A 16 -8.220 -6.515 8.882 1.00 1.91 O ATOM 41 CB SER A 16 -9.650 -9.081 9.645 1.00 1.62 C ATOM 42 OG SER A 16 -10.836 -9.742 10.062 1.00 2.01 O ATOM 0 H SER A 16 -11.284 -8.530 6.910 1.00 1.19 H new ATOM 0 HA SER A 16 -10.703 -7.454 8.741 1.00 1.17 H new ATOM 0 HB2 SER A 16 -8.896 -9.819 9.372 1.00 1.62 H new ATOM 0 HB3 SER A 16 -9.243 -8.501 10.473 1.00 1.62 H new ATOM 0 HG SER A 16 -10.635 -10.326 10.822 1.00 2.01 H new ATOM 48 N ALA A 17 -8.133 -7.618 6.905 1.00 0.93 N ATOM 49 CA ALA A 17 -6.950 -6.942 6.387 1.00 0.81 C ATOM 50 C ALA A 17 -5.732 -7.217 7.260 1.00 0.69 C ATOM 51 O ALA A 17 -5.300 -6.365 8.035 1.00 0.70 O ATOM 52 CB ALA A 17 -7.196 -5.445 6.243 1.00 1.09 C ATOM 0 H ALA A 17 -8.515 -8.316 6.267 1.00 0.93 H new ATOM 0 HA ALA A 17 -6.744 -7.344 5.395 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.298 -4.964 5.855 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.024 -5.277 5.554 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.442 -5.021 7.217 1.00 1.09 H new ATOM 58 N SER A 18 -5.186 -8.415 7.133 1.00 0.64 N ATOM 59 CA SER A 18 -3.993 -8.789 7.874 1.00 0.61 C ATOM 60 C SER A 18 -2.757 -8.221 7.186 1.00 0.50 C ATOM 61 O SER A 18 -2.820 -7.841 6.014 1.00 0.45 O ATOM 62 CB SER A 18 -3.889 -10.310 7.971 1.00 0.66 C ATOM 63 OG SER A 18 -5.159 -10.885 8.230 1.00 1.32 O ATOM 0 H SER A 18 -5.551 -9.146 6.523 1.00 0.64 H new ATOM 0 HA SER A 18 -4.058 -8.379 8.882 1.00 0.61 H new ATOM 0 HB2 SER A 18 -3.485 -10.712 7.042 1.00 0.66 H new ATOM 0 HB3 SER A 18 -3.193 -10.582 8.764 1.00 0.66 H new ATOM 0 HG SER A 18 -5.697 -10.873 7.411 1.00 1.32 H new ATOM 69 N LYS A 19 -1.644 -8.178 7.905 1.00 0.50 N ATOM 70 CA LYS A 19 -0.420 -7.564 7.399 1.00 0.43 C ATOM 71 C LYS A 19 -0.027 -8.124 6.031 1.00 0.34 C ATOM 72 O LYS A 19 0.132 -7.370 5.068 1.00 0.28 O ATOM 73 CB LYS A 19 0.723 -7.761 8.399 1.00 0.54 C ATOM 74 CG LYS A 19 0.487 -7.079 9.736 1.00 0.84 C ATOM 75 CD LYS A 19 1.655 -7.294 10.684 1.00 1.12 C ATOM 76 CE LYS A 19 1.438 -6.585 12.011 1.00 1.73 C ATOM 77 NZ LYS A 19 0.301 -7.159 12.779 1.00 2.10 N ATOM 0 H LYS A 19 -1.562 -8.563 8.846 1.00 0.50 H new ATOM 0 HA LYS A 19 -0.612 -6.498 7.276 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.868 -8.828 8.566 1.00 0.54 H new ATOM 0 HB3 LYS A 19 1.646 -7.378 7.963 1.00 0.54 H new ATOM 0 HG2 LYS A 19 0.336 -6.011 9.579 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -0.426 -7.467 10.188 1.00 0.84 H new ATOM 0 HD2 LYS A 19 1.790 -8.361 10.859 1.00 1.12 H new ATOM 0 HD3 LYS A 19 2.572 -6.928 10.221 1.00 1.12 H new ATOM 0 HE2 LYS A 19 2.347 -6.651 12.609 1.00 1.73 H new ATOM 0 HE3 LYS A 19 1.253 -5.526 11.829 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 0.316 -6.788 13.751 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 -0.595 -6.895 12.322 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 0.386 -8.195 12.803 1.00 2.10 H new ATOM 91 N GLU A 20 0.103 -9.444 5.947 1.00 0.41 N ATOM 92 CA GLU A 20 0.523 -10.102 4.711 1.00 0.41 C ATOM 93 C GLU A 20 -0.471 -9.857 3.574 1.00 0.34 C ATOM 94 O GLU A 20 -0.077 -9.718 2.418 1.00 0.30 O ATOM 95 CB GLU A 20 0.698 -11.606 4.947 1.00 0.57 C ATOM 96 CG GLU A 20 -0.551 -12.293 5.478 1.00 0.64 C ATOM 97 CD GLU A 20 -0.305 -13.736 5.860 1.00 0.95 C ATOM 98 OE1 GLU A 20 0.217 -13.978 6.967 1.00 1.49 O ATOM 99 OE2 GLU A 20 -0.639 -14.636 5.060 1.00 1.57 O ATOM 0 H GLU A 20 -0.077 -10.082 6.722 1.00 0.41 H new ATOM 0 HA GLU A 20 1.479 -9.671 4.413 1.00 0.41 H new ATOM 0 HB2 GLU A 20 0.992 -12.080 4.010 1.00 0.57 H new ATOM 0 HB3 GLU A 20 1.515 -11.761 5.652 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -0.918 -11.749 6.348 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -1.334 -12.250 4.721 1.00 0.64 H new ATOM 106 N GLU A 21 -1.752 -9.784 3.916 1.00 0.37 N ATOM 107 CA GLU A 21 -2.805 -9.593 2.924 1.00 0.39 C ATOM 108 C GLU A 21 -2.722 -8.199 2.322 1.00 0.32 C ATOM 109 O GLU A 21 -2.849 -8.017 1.110 1.00 0.34 O ATOM 110 CB GLU A 21 -4.176 -9.794 3.567 1.00 0.50 C ATOM 111 CG GLU A 21 -4.324 -11.129 4.274 1.00 0.61 C ATOM 112 CD GLU A 21 -5.698 -11.322 4.880 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.084 -10.525 5.759 1.00 1.54 O ATOM 114 OE2 GLU A 21 -6.397 -12.272 4.475 1.00 1.49 O ATOM 0 H GLU A 21 -2.088 -9.854 4.876 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.669 -10.329 2.131 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.354 -8.991 4.283 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -4.944 -9.712 2.798 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.128 -11.934 3.566 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -3.572 -11.205 5.059 1.00 0.61 H new ATOM 121 N ILE A 22 -2.506 -7.220 3.185 1.00 0.30 N ATOM 122 CA ILE A 22 -2.378 -5.835 2.766 1.00 0.28 C ATOM 123 C ILE A 22 -1.112 -5.643 1.947 1.00 0.24 C ATOM 124 O ILE A 22 -1.139 -5.036 0.876 1.00 0.26 O ATOM 125 CB ILE A 22 -2.346 -4.900 3.989 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.643 -5.049 4.784 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.134 -3.452 3.561 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.590 -4.403 6.145 1.00 0.44 C ATOM 0 H ILE A 22 -2.415 -7.362 4.191 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.243 -5.586 2.151 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.507 -5.181 4.626 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.462 -4.611 4.214 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -3.868 -6.109 4.902 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.115 -2.811 4.442 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.187 -3.365 3.029 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -2.948 -3.143 2.905 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.543 -4.547 6.654 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.793 -4.858 6.733 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.396 -3.336 6.034 1.00 0.44 H new ATOM 135 N ALA A 23 -0.011 -6.185 2.451 1.00 0.20 N ATOM 136 CA ALA A 23 1.271 -6.099 1.768 1.00 0.19 C ATOM 137 C ALA A 23 1.189 -6.724 0.382 1.00 0.20 C ATOM 138 O ALA A 23 1.808 -6.239 -0.563 1.00 0.20 O ATOM 139 CB ALA A 23 2.350 -6.779 2.589 1.00 0.20 C ATOM 0 H ALA A 23 0.018 -6.692 3.336 1.00 0.20 H new ATOM 0 HA ALA A 23 1.527 -5.046 1.653 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.304 -6.707 2.067 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.430 -6.291 3.560 1.00 0.20 H new ATOM 0 HB3 ALA A 23 2.092 -7.828 2.731 1.00 0.20 H new ATOM 145 N ALA A 24 0.408 -7.792 0.271 1.00 0.22 N ATOM 146 CA ALA A 24 0.195 -8.467 -0.999 1.00 0.25 C ATOM 147 C ALA A 24 -0.407 -7.513 -2.030 1.00 0.24 C ATOM 148 O ALA A 24 -0.025 -7.521 -3.198 1.00 0.25 O ATOM 149 CB ALA A 24 -0.706 -9.677 -0.800 1.00 0.31 C ATOM 0 H ALA A 24 -0.092 -8.211 1.055 1.00 0.22 H new ATOM 0 HA ALA A 24 1.160 -8.804 -1.378 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.860 -10.177 -1.756 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.237 -10.369 -0.100 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.667 -9.353 -0.400 1.00 0.31 H new ATOM 155 N LEU A 25 -1.338 -6.681 -1.585 1.00 0.23 N ATOM 156 CA LEU A 25 -1.957 -5.690 -2.457 1.00 0.23 C ATOM 157 C LEU A 25 -0.996 -4.542 -2.735 1.00 0.22 C ATOM 158 O LEU A 25 -0.971 -3.988 -3.834 1.00 0.25 O ATOM 159 CB LEU A 25 -3.239 -5.151 -1.824 1.00 0.26 C ATOM 160 CG LEU A 25 -4.380 -6.159 -1.708 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.516 -5.574 -0.891 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.875 -6.561 -3.088 1.00 0.44 C ATOM 0 H LEU A 25 -1.682 -6.672 -0.625 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.204 -6.176 -3.401 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.004 -4.776 -0.828 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.585 -4.300 -2.411 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.007 -7.049 -1.201 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.323 -6.303 -0.816 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.156 -5.327 0.108 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.886 -4.671 -1.377 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.688 -7.280 -2.988 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -5.234 -5.678 -3.617 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -4.058 -7.013 -3.650 1.00 0.44 H new ATOM 174 N ILE A 26 -0.206 -4.193 -1.728 1.00 0.21 N ATOM 175 CA ILE A 26 0.769 -3.119 -1.853 1.00 0.22 C ATOM 176 C ILE A 26 1.834 -3.467 -2.892 1.00 0.20 C ATOM 177 O ILE A 26 2.129 -2.665 -3.782 1.00 0.23 O ATOM 178 CB ILE A 26 1.441 -2.808 -0.497 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.393 -2.354 0.523 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.512 -1.741 -0.663 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.959 -2.086 1.901 1.00 0.27 C ATOM 0 H ILE A 26 -0.222 -4.641 -0.812 1.00 0.21 H new ATOM 0 HA ILE A 26 0.231 -2.230 -2.183 1.00 0.22 H new ATOM 0 HB ILE A 26 1.915 -3.718 -0.131 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.089 -1.448 0.156 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.380 -3.118 0.600 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.974 -1.536 0.303 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.272 -2.093 -1.361 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.059 -0.828 -1.050 1.00 0.25 H new ATOM 0 HD11 ILE A 26 0.158 -1.769 2.568 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.416 -2.996 2.290 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.712 -1.300 1.839 1.00 0.27 H new ATOM 188 N VAL A 27 2.394 -4.669 -2.792 1.00 0.18 N ATOM 189 CA VAL A 27 3.404 -5.109 -3.747 1.00 0.20 C ATOM 190 C VAL A 27 2.785 -5.318 -5.127 1.00 0.22 C ATOM 191 O VAL A 27 3.432 -5.079 -6.146 1.00 0.24 O ATOM 192 CB VAL A 27 4.131 -6.398 -3.292 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.850 -6.169 -1.972 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.172 -7.572 -3.178 1.00 0.21 C ATOM 0 H VAL A 27 2.168 -5.349 -2.067 1.00 0.18 H new ATOM 0 HA VAL A 27 4.150 -4.316 -3.801 1.00 0.20 H new ATOM 0 HB VAL A 27 4.869 -6.646 -4.055 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.355 -7.086 -1.669 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.585 -5.373 -2.091 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.126 -5.884 -1.208 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.719 -8.458 -2.856 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.397 -7.339 -2.448 1.00 0.21 H new ATOM 0 HG23 VAL A 27 2.712 -7.761 -4.148 1.00 0.21 H new ATOM 198 N ASN A 28 1.522 -5.742 -5.154 1.00 0.26 N ATOM 199 CA ASN A 28 0.782 -5.878 -6.407 1.00 0.32 C ATOM 200 C ASN A 28 0.651 -4.524 -7.086 1.00 0.27 C ATOM 201 O ASN A 28 0.839 -4.402 -8.297 1.00 0.29 O ATOM 202 CB ASN A 28 -0.608 -6.475 -6.152 1.00 0.45 C ATOM 203 CG ASN A 28 -1.491 -6.471 -7.390 1.00 0.68 C ATOM 204 OD1 ASN A 28 -2.245 -5.525 -7.630 1.00 1.59 O ATOM 205 ND2 ASN A 28 -1.408 -7.528 -8.186 1.00 0.86 N ATOM 0 H ASN A 28 0.990 -5.997 -4.322 1.00 0.26 H new ATOM 0 HA ASN A 28 1.333 -6.553 -7.062 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.498 -7.499 -5.794 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -1.100 -5.911 -5.359 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -1.979 -7.577 -9.029 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -0.773 -8.292 -7.955 1.00 0.86 H new ATOM 212 N TYR A 29 0.344 -3.507 -6.292 1.00 0.25 N ATOM 213 CA TYR A 29 0.227 -2.148 -6.792 1.00 0.24 C ATOM 214 C TYR A 29 1.530 -1.694 -7.442 1.00 0.19 C ATOM 215 O TYR A 29 1.537 -1.265 -8.596 1.00 0.19 O ATOM 216 CB TYR A 29 -0.158 -1.196 -5.657 1.00 0.29 C ATOM 217 CG TYR A 29 -0.148 0.260 -6.060 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.014 0.734 -7.037 1.00 1.23 C ATOM 219 CD2 TYR A 29 0.735 1.156 -5.474 1.00 1.20 C ATOM 220 CE1 TYR A 29 -0.999 2.059 -7.416 1.00 1.25 C ATOM 221 CE2 TYR A 29 0.755 2.485 -5.850 1.00 1.22 C ATOM 222 CZ TYR A 29 -0.113 2.930 -6.821 1.00 0.43 C ATOM 223 OH TYR A 29 -0.095 4.252 -7.202 1.00 0.50 O ATOM 0 H TYR A 29 0.171 -3.601 -5.291 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.557 -2.130 -7.549 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.153 -1.458 -5.296 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.531 -1.339 -4.825 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.709 0.054 -7.507 1.00 1.23 H new ATOM 0 HD2 TYR A 29 1.417 0.809 -4.712 1.00 1.20 H new ATOM 0 HE1 TYR A 29 -1.679 2.413 -8.177 1.00 1.25 H new ATOM 0 HE2 TYR A 29 1.448 3.171 -5.385 1.00 1.22 H new ATOM 0 HH TYR A 29 -0.582 4.356 -8.046 1.00 0.50 H new ATOM 233 N PHE A 30 2.630 -1.806 -6.702 1.00 0.16 N ATOM 234 CA PHE A 30 3.937 -1.398 -7.209 1.00 0.16 C ATOM 235 C PHE A 30 4.317 -2.213 -8.440 1.00 0.18 C ATOM 236 O PHE A 30 4.822 -1.670 -9.426 1.00 0.21 O ATOM 237 CB PHE A 30 5.013 -1.559 -6.136 1.00 0.19 C ATOM 238 CG PHE A 30 4.857 -0.643 -4.954 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.547 0.697 -5.126 1.00 1.18 C ATOM 240 CD2 PHE A 30 5.040 -1.122 -3.666 1.00 1.19 C ATOM 241 CE1 PHE A 30 4.420 1.539 -4.037 1.00 1.17 C ATOM 242 CE2 PHE A 30 4.913 -0.284 -2.576 1.00 1.22 C ATOM 243 CZ PHE A 30 4.603 1.048 -2.761 1.00 0.25 C ATOM 0 H PHE A 30 2.642 -2.175 -5.751 1.00 0.16 H new ATOM 0 HA PHE A 30 3.870 -0.346 -7.486 1.00 0.16 H new ATOM 0 HB2 PHE A 30 5.005 -2.590 -5.784 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.989 -1.384 -6.589 1.00 0.19 H new ATOM 0 HD1 PHE A 30 4.403 1.088 -6.122 1.00 1.18 H new ATOM 0 HD2 PHE A 30 5.285 -2.163 -3.513 1.00 1.19 H new ATOM 0 HE1 PHE A 30 4.178 2.581 -4.185 1.00 1.17 H new ATOM 0 HE2 PHE A 30 5.056 -0.671 -1.578 1.00 1.22 H new ATOM 0 HZ PHE A 30 4.504 1.704 -1.909 1.00 0.25 H new ATOM 253 N SER A 31 4.063 -3.514 -8.380 1.00 0.21 N ATOM 254 CA SER A 31 4.354 -4.404 -9.491 1.00 0.27 C ATOM 255 C SER A 31 3.562 -3.990 -10.728 1.00 0.25 C ATOM 256 O SER A 31 4.082 -4.008 -11.840 1.00 0.27 O ATOM 257 CB SER A 31 4.031 -5.852 -9.108 1.00 0.35 C ATOM 258 OG SER A 31 4.363 -6.751 -10.154 1.00 1.15 O ATOM 0 H SER A 31 3.654 -3.976 -7.568 1.00 0.21 H new ATOM 0 HA SER A 31 5.416 -4.334 -9.724 1.00 0.27 H new ATOM 0 HB2 SER A 31 4.580 -6.122 -8.206 1.00 0.35 H new ATOM 0 HB3 SER A 31 2.970 -5.940 -8.874 1.00 0.35 H new ATOM 0 HG SER A 31 4.147 -7.667 -9.879 1.00 1.15 H new ATOM 264 N SER A 32 2.312 -3.592 -10.528 1.00 0.27 N ATOM 265 CA SER A 32 1.460 -3.190 -11.633 1.00 0.30 C ATOM 266 C SER A 32 1.870 -1.815 -12.168 1.00 0.28 C ATOM 267 O SER A 32 1.569 -1.472 -13.312 1.00 0.35 O ATOM 268 CB SER A 32 -0.010 -3.185 -11.202 1.00 0.40 C ATOM 269 OG SER A 32 -0.871 -3.069 -12.322 1.00 0.99 O ATOM 0 H SER A 32 1.869 -3.540 -9.611 1.00 0.27 H new ATOM 0 HA SER A 32 1.582 -3.915 -12.438 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.236 -4.103 -10.660 1.00 0.40 H new ATOM 0 HB3 SER A 32 -0.188 -2.357 -10.516 1.00 0.40 H new ATOM 0 HG SER A 32 -0.584 -3.692 -13.022 1.00 0.99 H new ATOM 275 N ILE A 33 2.561 -1.027 -11.346 1.00 0.24 N ATOM 276 CA ILE A 33 3.076 0.265 -11.790 1.00 0.26 C ATOM 277 C ILE A 33 4.177 0.061 -12.825 1.00 0.26 C ATOM 278 O ILE A 33 4.128 0.622 -13.920 1.00 0.31 O ATOM 279 CB ILE A 33 3.638 1.113 -10.626 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.545 1.452 -9.613 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.268 2.392 -11.156 1.00 0.43 C ATOM 282 CD1 ILE A 33 3.035 2.307 -8.463 1.00 0.34 C ATOM 0 H ILE A 33 2.776 -1.259 -10.376 1.00 0.24 H new ATOM 0 HA ILE A 33 2.235 0.805 -12.224 1.00 0.26 H new ATOM 0 HB ILE A 33 4.402 0.522 -10.122 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.735 1.973 -10.124 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.128 0.526 -9.216 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.659 2.977 -10.324 1.00 0.43 H new ATOM 0 HG22 ILE A 33 5.082 2.142 -11.837 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.516 2.975 -11.688 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.208 2.510 -7.782 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.825 1.779 -7.928 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.425 3.248 -8.850 1.00 0.34 H new ATOM 289 N VAL A 34 5.162 -0.755 -12.473 1.00 0.24 N ATOM 290 CA VAL A 34 6.277 -1.036 -13.370 1.00 0.31 C ATOM 291 C VAL A 34 5.818 -1.929 -14.523 1.00 0.37 C ATOM 292 O VAL A 34 6.398 -1.909 -15.609 1.00 0.47 O ATOM 293 CB VAL A 34 7.461 -1.697 -12.623 1.00 0.34 C ATOM 294 CG1 VAL A 34 7.941 -0.802 -11.490 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.083 -3.068 -12.086 1.00 0.33 C ATOM 0 H VAL A 34 5.212 -1.234 -11.574 1.00 0.24 H new ATOM 0 HA VAL A 34 6.626 -0.084 -13.770 1.00 0.31 H new ATOM 0 HB VAL A 34 8.273 -1.829 -13.339 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.774 -1.282 -10.975 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.268 0.155 -11.896 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.125 -0.637 -10.786 1.00 0.35 H new ATOM 0 HG21 VAL A 34 7.937 -3.504 -11.567 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.248 -2.969 -11.392 1.00 0.33 H new ATOM 0 HG23 VAL A 34 6.792 -3.715 -12.913 1.00 0.33 H new ATOM 299 N GLU A 35 4.758 -2.689 -14.268 1.00 0.35 N ATOM 300 CA GLU A 35 4.135 -3.550 -15.268 1.00 0.46 C ATOM 301 C GLU A 35 3.778 -2.761 -16.526 1.00 0.50 C ATOM 302 O GLU A 35 4.146 -3.145 -17.637 1.00 0.61 O ATOM 303 CB GLU A 35 2.882 -4.182 -14.655 1.00 0.50 C ATOM 304 CG GLU A 35 2.035 -4.993 -15.615 1.00 0.70 C ATOM 305 CD GLU A 35 0.864 -5.654 -14.915 1.00 1.49 C ATOM 306 OE1 GLU A 35 -0.019 -4.928 -14.404 1.00 2.22 O ATOM 307 OE2 GLU A 35 0.820 -6.900 -14.873 1.00 2.19 O ATOM 0 H GLU A 35 4.304 -2.725 -13.355 1.00 0.35 H new ATOM 0 HA GLU A 35 4.837 -4.330 -15.562 1.00 0.46 H new ATOM 0 HB2 GLU A 35 3.186 -4.826 -13.830 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.265 -3.390 -14.231 1.00 0.50 H new ATOM 0 HG2 GLU A 35 1.664 -4.345 -16.409 1.00 0.70 H new ATOM 0 HG3 GLU A 35 2.653 -5.756 -16.089 1.00 0.70 H new ATOM 314 N LYS A 36 3.086 -1.646 -16.342 1.00 0.47 N ATOM 315 CA LYS A 36 2.659 -0.817 -17.462 1.00 0.54 C ATOM 316 C LYS A 36 3.510 0.445 -17.579 1.00 0.50 C ATOM 317 O LYS A 36 3.063 1.461 -18.114 1.00 0.60 O ATOM 318 CB LYS A 36 1.177 -0.450 -17.322 1.00 0.67 C ATOM 319 CG LYS A 36 0.800 0.050 -15.936 1.00 0.71 C ATOM 320 CD LYS A 36 -0.658 0.481 -15.873 1.00 0.97 C ATOM 321 CE LYS A 36 -1.102 0.747 -14.441 1.00 1.42 C ATOM 322 NZ LYS A 36 -1.072 -0.487 -13.610 1.00 2.08 N ATOM 0 H LYS A 36 2.807 -1.293 -15.426 1.00 0.47 H new ATOM 0 HA LYS A 36 2.794 -1.397 -18.375 1.00 0.54 H new ATOM 0 HB2 LYS A 36 0.931 0.318 -18.055 1.00 0.67 H new ATOM 0 HB3 LYS A 36 0.571 -1.324 -17.561 1.00 0.67 H new ATOM 0 HG2 LYS A 36 0.979 -0.737 -15.204 1.00 0.71 H new ATOM 0 HG3 LYS A 36 1.440 0.890 -15.665 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.798 1.381 -16.471 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -1.287 -0.294 -16.311 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -0.453 1.501 -13.994 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -2.112 1.157 -14.445 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.582 -0.318 -12.719 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -1.528 -1.265 -14.128 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -0.085 -0.741 -13.401 1.00 2.08 H new ATOM 336 N LYS A 37 4.746 0.341 -17.065 1.00 0.47 N ATOM 337 CA LYS A 37 5.726 1.439 -17.031 1.00 0.54 C ATOM 338 C LYS A 37 5.092 2.789 -16.694 1.00 0.59 C ATOM 339 O LYS A 37 5.148 3.738 -17.473 1.00 0.75 O ATOM 340 CB LYS A 37 6.545 1.519 -18.335 1.00 0.71 C ATOM 341 CG LYS A 37 5.729 1.575 -19.617 1.00 1.18 C ATOM 342 CD LYS A 37 6.630 1.689 -20.836 1.00 1.41 C ATOM 343 CE LYS A 37 5.846 1.540 -22.128 1.00 1.98 C ATOM 344 NZ LYS A 37 5.284 0.173 -22.285 1.00 2.60 N ATOM 0 H LYS A 37 5.099 -0.523 -16.654 1.00 0.47 H new ATOM 0 HA LYS A 37 6.414 1.202 -16.219 1.00 0.54 H new ATOM 0 HB2 LYS A 37 7.181 2.403 -18.291 1.00 0.71 H new ATOM 0 HB3 LYS A 37 7.206 0.653 -18.383 1.00 0.71 H new ATOM 0 HG2 LYS A 37 5.113 0.679 -19.699 1.00 1.18 H new ATOM 0 HG3 LYS A 37 5.050 2.427 -19.582 1.00 1.18 H new ATOM 0 HD2 LYS A 37 7.136 2.655 -20.826 1.00 1.41 H new ATOM 0 HD3 LYS A 37 7.404 0.923 -20.789 1.00 1.41 H new ATOM 0 HE2 LYS A 37 5.036 2.269 -22.146 1.00 1.98 H new ATOM 0 HE3 LYS A 37 6.496 1.764 -22.974 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 4.997 0.027 -23.274 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 6.005 -0.531 -22.026 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 4.456 0.065 -21.665 1.00 2.60 H new ATOM 358 N GLU A 38 4.517 2.870 -15.504 1.00 0.54 N ATOM 359 CA GLU A 38 3.874 4.088 -15.037 1.00 0.68 C ATOM 360 C GLU A 38 4.825 4.872 -14.153 1.00 0.69 C ATOM 361 O GLU A 38 4.503 5.958 -13.671 1.00 1.03 O ATOM 362 CB GLU A 38 2.599 3.751 -14.265 1.00 0.79 C ATOM 363 CG GLU A 38 1.384 3.557 -15.150 1.00 1.36 C ATOM 364 CD GLU A 38 0.931 4.851 -15.784 1.00 1.41 C ATOM 365 OE1 GLU A 38 0.307 5.668 -15.082 1.00 1.86 O ATOM 366 OE2 GLU A 38 1.207 5.064 -16.982 1.00 2.12 O ATOM 0 H GLU A 38 4.483 2.098 -14.838 1.00 0.54 H new ATOM 0 HA GLU A 38 3.610 4.698 -15.901 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.765 2.842 -13.686 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.394 4.550 -13.552 1.00 0.79 H new ATOM 0 HG2 GLU A 38 1.617 2.833 -15.931 1.00 1.36 H new ATOM 0 HG3 GLU A 38 0.569 3.138 -14.560 1.00 1.36 H new ATOM 373 N ILE A 39 5.990 4.299 -13.932 1.00 0.42 N ATOM 374 CA ILE A 39 7.014 4.936 -13.128 1.00 0.43 C ATOM 375 C ILE A 39 8.352 4.877 -13.864 1.00 0.48 C ATOM 376 O ILE A 39 8.553 4.012 -14.720 1.00 0.51 O ATOM 377 CB ILE A 39 7.116 4.259 -11.741 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.815 5.178 -10.738 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.843 2.923 -11.840 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.713 4.695 -9.308 1.00 0.47 C ATOM 0 H ILE A 39 6.253 3.385 -14.301 1.00 0.42 H new ATOM 0 HA ILE A 39 6.746 5.980 -12.969 1.00 0.43 H new ATOM 0 HB ILE A 39 6.104 4.070 -11.384 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.867 5.267 -11.010 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.382 6.176 -10.808 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.902 2.467 -10.852 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.298 2.261 -12.513 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.850 3.084 -12.226 1.00 0.36 H new ATOM 0 HD11 ILE A 39 8.230 5.394 -8.650 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.664 4.633 -9.019 1.00 0.47 H new ATOM 0 HD13 ILE A 39 8.171 3.710 -9.223 1.00 0.47 H new ATOM 387 N SER A 40 9.244 5.807 -13.553 1.00 0.54 N ATOM 388 CA SER A 40 10.521 5.892 -14.239 1.00 0.62 C ATOM 389 C SER A 40 11.518 4.884 -13.663 1.00 0.53 C ATOM 390 O SER A 40 11.273 4.287 -12.613 1.00 0.48 O ATOM 391 CB SER A 40 11.073 7.318 -14.148 1.00 0.76 C ATOM 392 OG SER A 40 12.181 7.507 -15.017 1.00 1.82 O ATOM 0 H SER A 40 9.105 6.512 -12.830 1.00 0.54 H new ATOM 0 HA SER A 40 10.368 5.645 -15.289 1.00 0.62 H new ATOM 0 HB2 SER A 40 10.287 8.030 -14.400 1.00 0.76 H new ATOM 0 HB3 SER A 40 11.375 7.527 -13.122 1.00 0.76 H new ATOM 0 HG SER A 40 12.181 6.808 -15.704 1.00 1.82 H new ATOM 398 N GLU A 41 12.638 4.719 -14.361 1.00 0.59 N ATOM 399 CA GLU A 41 13.639 3.704 -14.050 1.00 0.60 C ATOM 400 C GLU A 41 14.063 3.743 -12.583 1.00 0.49 C ATOM 401 O GLU A 41 13.938 2.745 -11.875 1.00 0.46 O ATOM 402 CB GLU A 41 14.874 3.877 -14.945 1.00 0.78 C ATOM 403 CG GLU A 41 14.567 3.955 -16.437 1.00 1.07 C ATOM 404 CD GLU A 41 14.077 5.324 -16.875 1.00 1.43 C ATOM 405 OE1 GLU A 41 14.919 6.173 -17.224 1.00 1.99 O ATOM 406 OE2 GLU A 41 12.847 5.561 -16.866 1.00 2.19 O ATOM 0 H GLU A 41 12.879 5.294 -15.169 1.00 0.59 H new ATOM 0 HA GLU A 41 13.179 2.735 -14.241 1.00 0.60 H new ATOM 0 HB2 GLU A 41 15.399 4.785 -14.647 1.00 0.78 H new ATOM 0 HB3 GLU A 41 15.554 3.043 -14.770 1.00 0.78 H new ATOM 0 HG2 GLU A 41 15.465 3.700 -17.000 1.00 1.07 H new ATOM 0 HG3 GLU A 41 13.812 3.209 -16.686 1.00 1.07 H new ATOM 413 N ASP A 42 14.553 4.892 -12.130 1.00 0.52 N ATOM 414 CA ASP A 42 15.038 5.027 -10.756 1.00 0.52 C ATOM 415 C ASP A 42 13.917 4.800 -9.750 1.00 0.43 C ATOM 416 O ASP A 42 14.137 4.236 -8.678 1.00 0.47 O ATOM 417 CB ASP A 42 15.668 6.402 -10.529 1.00 0.62 C ATOM 418 CG ASP A 42 16.149 6.587 -9.103 1.00 1.50 C ATOM 419 OD1 ASP A 42 17.179 5.985 -8.729 1.00 2.21 O ATOM 420 OD2 ASP A 42 15.502 7.344 -8.348 1.00 2.30 O ATOM 0 H ASP A 42 14.626 5.742 -12.690 1.00 0.52 H new ATOM 0 HA ASP A 42 15.800 4.262 -10.605 1.00 0.52 H new ATOM 0 HB2 ASP A 42 16.507 6.532 -11.213 1.00 0.62 H new ATOM 0 HB3 ASP A 42 14.939 7.177 -10.768 1.00 0.62 H new ATOM 425 N GLY A 43 12.713 5.227 -10.109 1.00 0.39 N ATOM 426 CA GLY A 43 11.564 5.004 -9.256 1.00 0.37 C ATOM 427 C GLY A 43 11.253 3.528 -9.111 1.00 0.34 C ATOM 428 O GLY A 43 10.940 3.053 -8.022 1.00 0.35 O ATOM 0 H GLY A 43 12.513 5.724 -10.977 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.752 5.435 -8.273 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.698 5.520 -9.670 1.00 0.37 H new ATOM 432 N ALA A 44 11.354 2.800 -10.215 1.00 0.33 N ATOM 433 CA ALA A 44 11.148 1.360 -10.206 1.00 0.33 C ATOM 434 C ALA A 44 12.295 0.666 -9.483 1.00 0.32 C ATOM 435 O ALA A 44 12.091 -0.299 -8.748 1.00 0.31 O ATOM 436 CB ALA A 44 11.027 0.840 -11.627 1.00 0.38 C ATOM 0 H ALA A 44 11.579 3.186 -11.132 1.00 0.33 H new ATOM 0 HA ALA A 44 10.222 1.142 -9.674 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.873 -0.239 -11.608 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.180 1.319 -12.119 1.00 0.38 H new ATOM 0 HB3 ALA A 44 11.941 1.066 -12.176 1.00 0.38 H new ATOM 442 N ASP A 45 13.498 1.180 -9.699 1.00 0.36 N ATOM 443 CA ASP A 45 14.706 0.645 -9.083 1.00 0.38 C ATOM 444 C ASP A 45 14.599 0.642 -7.563 1.00 0.36 C ATOM 445 O ASP A 45 14.920 -0.352 -6.912 1.00 0.37 O ATOM 446 CB ASP A 45 15.920 1.463 -9.522 1.00 0.48 C ATOM 447 CG ASP A 45 17.193 1.057 -8.809 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.749 -0.009 -9.134 1.00 1.81 O ATOM 449 OD2 ASP A 45 17.651 1.819 -7.928 1.00 1.84 O ATOM 0 H ASP A 45 13.665 1.981 -10.308 1.00 0.36 H new ATOM 0 HA ASP A 45 14.826 -0.387 -9.413 1.00 0.38 H new ATOM 0 HB2 ASP A 45 16.059 1.349 -10.597 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.726 2.519 -9.336 1.00 0.48 H new ATOM 454 N SER A 46 14.137 1.748 -6.999 1.00 0.38 N ATOM 455 CA SER A 46 13.981 1.842 -5.559 1.00 0.41 C ATOM 456 C SER A 46 12.827 0.959 -5.086 1.00 0.36 C ATOM 457 O SER A 46 12.896 0.356 -4.015 1.00 0.39 O ATOM 458 CB SER A 46 13.776 3.298 -5.137 1.00 0.51 C ATOM 459 OG SER A 46 12.725 3.904 -5.867 1.00 0.98 O ATOM 0 H SER A 46 13.866 2.586 -7.514 1.00 0.38 H new ATOM 0 HA SER A 46 14.893 1.481 -5.084 1.00 0.41 H new ATOM 0 HB2 SER A 46 13.553 3.342 -4.071 1.00 0.51 H new ATOM 0 HB3 SER A 46 14.699 3.857 -5.293 1.00 0.51 H new ATOM 0 HG SER A 46 11.893 3.845 -5.353 1.00 0.98 H new ATOM 465 N LEU A 47 11.776 0.861 -5.898 1.00 0.32 N ATOM 466 CA LEU A 47 10.653 -0.014 -5.576 1.00 0.30 C ATOM 467 C LEU A 47 11.091 -1.474 -5.561 1.00 0.27 C ATOM 468 O LEU A 47 10.486 -2.301 -4.888 1.00 0.29 O ATOM 469 CB LEU A 47 9.498 0.169 -6.569 1.00 0.30 C ATOM 470 CG LEU A 47 8.783 1.521 -6.509 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.648 1.562 -7.521 1.00 0.39 C ATOM 472 CD2 LEU A 47 8.255 1.793 -5.108 1.00 0.41 C ATOM 0 H LEU A 47 11.679 1.372 -6.776 1.00 0.32 H new ATOM 0 HA LEU A 47 10.301 0.263 -4.582 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.884 0.027 -7.578 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.764 -0.618 -6.395 1.00 0.30 H new ATOM 0 HG LEU A 47 9.503 2.301 -6.758 1.00 0.35 H new ATOM 0 HD11 LEU A 47 7.148 2.529 -7.468 1.00 0.39 H new ATOM 0 HD12 LEU A 47 8.049 1.416 -8.524 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.932 0.771 -7.297 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.751 2.759 -5.090 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.550 1.011 -4.827 1.00 0.41 H new ATOM 0 HD23 LEU A 47 9.085 1.804 -4.402 1.00 0.41 H new ATOM 484 N ASN A 48 12.147 -1.785 -6.301 1.00 0.26 N ATOM 485 CA ASN A 48 12.671 -3.144 -6.350 1.00 0.26 C ATOM 486 C ASN A 48 13.258 -3.557 -5.004 1.00 0.28 C ATOM 487 O ASN A 48 12.914 -4.612 -4.474 1.00 0.32 O ATOM 488 CB ASN A 48 13.729 -3.281 -7.450 1.00 0.28 C ATOM 489 CG ASN A 48 13.142 -3.268 -8.851 1.00 0.33 C ATOM 490 OD1 ASN A 48 11.973 -3.874 -9.019 1.00 0.48 O flip ATOM 491 ND2 ASN A 48 13.751 -2.740 -9.782 1.00 0.40 N flip ATOM 0 H ASN A 48 12.658 -1.115 -6.876 1.00 0.26 H new ATOM 0 HA ASN A 48 11.839 -3.809 -6.580 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.448 -2.467 -7.357 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.279 -4.210 -7.302 1.00 0.28 H new ATOM 0 HD21 ASN A 48 14.647 -2.284 -9.612 1.00 0.40 H new ATOM 0 HD22 ASN A 48 13.359 -2.759 -10.724 1.00 0.40 H new ATOM 498 N VAL A 49 14.136 -2.728 -4.442 1.00 0.27 N ATOM 499 CA VAL A 49 14.710 -3.022 -3.129 1.00 0.29 C ATOM 500 C VAL A 49 13.618 -2.994 -2.060 1.00 0.30 C ATOM 501 O VAL A 49 13.639 -3.780 -1.109 1.00 0.32 O ATOM 502 CB VAL A 49 15.862 -2.053 -2.750 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.382 -0.616 -2.647 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.526 -2.486 -1.451 1.00 0.36 C ATOM 0 H VAL A 49 14.462 -1.860 -4.867 1.00 0.27 H new ATOM 0 HA VAL A 49 15.142 -4.021 -3.183 1.00 0.29 H new ATOM 0 HB VAL A 49 16.599 -2.097 -3.552 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.219 0.029 -2.380 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.972 -0.300 -3.606 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.610 -0.544 -1.881 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.330 -1.793 -1.205 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.789 -2.487 -0.648 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.935 -3.489 -1.568 1.00 0.36 H new ATOM 508 N ALA A 50 12.641 -2.112 -2.246 1.00 0.30 N ATOM 509 CA ALA A 50 11.505 -2.024 -1.343 1.00 0.34 C ATOM 510 C ALA A 50 10.627 -3.267 -1.464 1.00 0.34 C ATOM 511 O ALA A 50 9.975 -3.671 -0.507 1.00 0.37 O ATOM 512 CB ALA A 50 10.693 -0.772 -1.633 1.00 0.37 C ATOM 0 H ALA A 50 12.616 -1.446 -3.018 1.00 0.30 H new ATOM 0 HA ALA A 50 11.881 -1.965 -0.322 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.846 -0.721 -0.949 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.322 0.108 -1.499 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.328 -0.805 -2.660 1.00 0.37 H new ATOM 518 N MET A 51 10.632 -3.875 -2.642 1.00 0.34 N ATOM 519 CA MET A 51 9.817 -5.054 -2.907 1.00 0.39 C ATOM 520 C MET A 51 10.291 -6.226 -2.064 1.00 0.31 C ATOM 521 O MET A 51 9.495 -6.910 -1.416 1.00 0.30 O ATOM 522 CB MET A 51 9.885 -5.417 -4.388 1.00 0.52 C ATOM 523 CG MET A 51 8.686 -6.208 -4.875 1.00 0.62 C ATOM 524 SD MET A 51 7.134 -5.351 -4.558 1.00 0.65 S ATOM 525 CE MET A 51 7.539 -3.704 -5.131 1.00 0.41 C ATOM 0 H MET A 51 11.196 -3.569 -3.435 1.00 0.34 H new ATOM 0 HA MET A 51 8.784 -4.828 -2.643 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.969 -4.502 -4.974 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.790 -5.996 -4.570 1.00 0.52 H new ATOM 0 HG2 MET A 51 8.785 -6.394 -5.944 1.00 0.62 H new ATOM 0 HG3 MET A 51 8.670 -7.180 -4.383 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.639 -3.088 -5.134 1.00 0.41 H new ATOM 0 HE2 MET A 51 8.280 -3.260 -4.467 1.00 0.41 H new ATOM 0 HE3 MET A 51 7.944 -3.760 -6.141 1.00 0.41 H new ATOM 535 N ASP A 52 11.600 -6.453 -2.081 1.00 0.31 N ATOM 536 CA ASP A 52 12.209 -7.488 -1.257 1.00 0.32 C ATOM 537 C ASP A 52 12.011 -7.158 0.215 1.00 0.28 C ATOM 538 O ASP A 52 11.814 -8.046 1.040 1.00 0.30 O ATOM 539 CB ASP A 52 13.702 -7.627 -1.574 1.00 0.42 C ATOM 540 CG ASP A 52 13.958 -8.185 -2.962 1.00 1.16 C ATOM 541 OD1 ASP A 52 13.732 -7.462 -3.954 1.00 1.99 O ATOM 542 OD2 ASP A 52 14.388 -9.351 -3.075 1.00 1.84 O ATOM 0 H ASP A 52 12.260 -5.932 -2.658 1.00 0.31 H new ATOM 0 HA ASP A 52 11.725 -8.439 -1.478 1.00 0.32 H new ATOM 0 HB2 ASP A 52 14.180 -6.651 -1.485 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.167 -8.278 -0.834 1.00 0.42 H new ATOM 547 N CYS A 53 12.053 -5.865 0.526 1.00 0.27 N ATOM 548 CA CYS A 53 11.788 -5.381 1.874 1.00 0.27 C ATOM 549 C CYS A 53 10.401 -5.802 2.350 1.00 0.29 C ATOM 550 O CYS A 53 10.275 -6.523 3.337 1.00 0.36 O ATOM 551 CB CYS A 53 11.911 -3.857 1.918 1.00 0.36 C ATOM 552 SG CYS A 53 11.060 -3.086 3.314 1.00 1.05 S ATOM 0 H CYS A 53 12.270 -5.129 -0.146 1.00 0.27 H new ATOM 0 HA CYS A 53 12.527 -5.824 2.542 1.00 0.27 H new ATOM 0 HB2 CYS A 53 12.967 -3.590 1.958 1.00 0.36 H new ATOM 0 HB3 CYS A 53 11.513 -3.444 0.991 1.00 0.36 H new ATOM 0 HG CYS A 53 10.314 -2.112 2.883 1.00 1.05 H new ATOM 558 N ILE A 54 9.368 -5.357 1.636 1.00 0.26 N ATOM 559 CA ILE A 54 7.984 -5.642 2.012 1.00 0.29 C ATOM 560 C ILE A 54 7.763 -7.145 2.163 1.00 0.30 C ATOM 561 O ILE A 54 7.167 -7.603 3.138 1.00 0.33 O ATOM 562 CB ILE A 54 6.985 -5.086 0.968 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.217 -3.588 0.745 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.551 -5.332 1.422 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.459 -3.020 -0.439 1.00 0.34 C ATOM 0 H ILE A 54 9.464 -4.795 0.790 1.00 0.26 H new ATOM 0 HA ILE A 54 7.804 -5.148 2.967 1.00 0.29 H new ATOM 0 HB ILE A 54 7.149 -5.607 0.025 1.00 0.29 H new ATOM 0 HG12 ILE A 54 6.925 -3.047 1.645 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.283 -3.413 0.600 1.00 0.31 H new ATOM 0 HG21 ILE A 54 4.861 -4.935 0.678 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.385 -6.403 1.537 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.381 -4.834 2.376 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.674 -1.956 -0.532 1.00 0.34 H new ATOM 0 HD12 ILE A 54 6.768 -3.534 -1.349 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.389 -3.162 -0.288 1.00 0.34 H new ATOM 572 N SER A 55 8.276 -7.905 1.206 1.00 0.30 N ATOM 573 CA SER A 55 8.134 -9.352 1.220 1.00 0.36 C ATOM 574 C SER A 55 8.788 -9.954 2.468 1.00 0.38 C ATOM 575 O SER A 55 8.144 -10.678 3.233 1.00 0.41 O ATOM 576 CB SER A 55 8.758 -9.944 -0.047 1.00 0.40 C ATOM 577 OG SER A 55 8.218 -9.336 -1.212 1.00 0.80 O ATOM 0 H SER A 55 8.796 -7.541 0.408 1.00 0.30 H new ATOM 0 HA SER A 55 7.072 -9.598 1.246 1.00 0.36 H new ATOM 0 HB2 SER A 55 9.838 -9.801 -0.025 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.579 -11.019 -0.077 1.00 0.40 H new ATOM 0 HG SER A 55 8.719 -8.519 -1.417 1.00 0.80 H new ATOM 583 N GLU A 56 10.055 -9.619 2.687 1.00 0.39 N ATOM 584 CA GLU A 56 10.824 -10.177 3.794 1.00 0.48 C ATOM 585 C GLU A 56 10.275 -9.722 5.145 1.00 0.43 C ATOM 586 O GLU A 56 10.113 -10.529 6.059 1.00 0.46 O ATOM 587 CB GLU A 56 12.291 -9.766 3.665 1.00 0.60 C ATOM 588 CG GLU A 56 13.189 -10.344 4.744 1.00 0.83 C ATOM 589 CD GLU A 56 14.611 -9.843 4.631 1.00 1.81 C ATOM 590 OE1 GLU A 56 14.915 -8.775 5.194 1.00 2.38 O ATOM 591 OE2 GLU A 56 15.431 -10.507 3.964 1.00 2.66 O ATOM 0 H GLU A 56 10.574 -8.959 2.108 1.00 0.39 H new ATOM 0 HA GLU A 56 10.741 -11.263 3.747 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.662 -10.081 2.690 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.357 -8.678 3.695 1.00 0.60 H new ATOM 0 HG2 GLU A 56 12.790 -10.083 5.724 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.182 -11.432 4.676 1.00 0.83 H new ATOM 598 N ALA A 57 9.981 -8.431 5.260 1.00 0.39 N ATOM 599 CA ALA A 57 9.530 -7.850 6.520 1.00 0.39 C ATOM 600 C ALA A 57 8.197 -8.440 6.969 1.00 0.33 C ATOM 601 O ALA A 57 7.990 -8.695 8.156 1.00 0.39 O ATOM 602 CB ALA A 57 9.423 -6.338 6.394 1.00 0.42 C ATOM 0 H ALA A 57 10.047 -7.764 4.491 1.00 0.39 H new ATOM 0 HA ALA A 57 10.271 -8.094 7.281 1.00 0.39 H new ATOM 0 HB1 ALA A 57 9.086 -5.917 7.341 1.00 0.42 H new ATOM 0 HB2 ALA A 57 10.399 -5.924 6.140 1.00 0.42 H new ATOM 0 HB3 ALA A 57 8.708 -6.088 5.610 1.00 0.42 H new ATOM 608 N PHE A 58 7.297 -8.659 6.019 1.00 0.29 N ATOM 609 CA PHE A 58 5.984 -9.207 6.332 1.00 0.28 C ATOM 610 C PHE A 58 6.023 -10.729 6.417 1.00 0.30 C ATOM 611 O PHE A 58 5.142 -11.350 7.013 1.00 0.38 O ATOM 612 CB PHE A 58 4.956 -8.760 5.296 1.00 0.26 C ATOM 613 CG PHE A 58 4.493 -7.342 5.474 1.00 0.25 C ATOM 614 CD1 PHE A 58 5.286 -6.275 5.084 1.00 1.24 C ATOM 615 CD2 PHE A 58 3.257 -7.082 6.033 1.00 1.18 C ATOM 616 CE1 PHE A 58 4.850 -4.974 5.250 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.815 -5.785 6.201 1.00 1.22 C ATOM 618 CZ PHE A 58 3.611 -4.730 5.810 1.00 0.28 C ATOM 0 H PHE A 58 7.451 -8.466 5.029 1.00 0.29 H new ATOM 0 HA PHE A 58 5.689 -8.823 7.309 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.386 -8.870 4.300 1.00 0.26 H new ATOM 0 HB3 PHE A 58 4.092 -9.423 5.345 1.00 0.26 H new ATOM 0 HD1 PHE A 58 6.255 -6.462 4.646 1.00 1.24 H new ATOM 0 HD2 PHE A 58 2.628 -7.904 6.343 1.00 1.18 H new ATOM 0 HE1 PHE A 58 5.477 -4.150 4.943 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.846 -5.597 6.639 1.00 1.22 H new ATOM 0 HZ PHE A 58 3.267 -3.715 5.941 1.00 0.28 H new ATOM 628 N GLY A 59 7.041 -11.325 5.814 1.00 0.34 N ATOM 629 CA GLY A 59 7.237 -12.756 5.927 1.00 0.39 C ATOM 630 C GLY A 59 6.551 -13.541 4.829 1.00 0.38 C ATOM 631 O GLY A 59 6.022 -14.626 5.075 1.00 0.43 O ATOM 0 H GLY A 59 7.737 -10.841 5.247 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.305 -12.973 5.906 1.00 0.39 H new ATOM 0 HA3 GLY A 59 6.862 -13.092 6.894 1.00 0.39 H new ATOM 635 N PHE A 60 6.552 -13.005 3.618 1.00 0.35 N ATOM 636 CA PHE A 60 5.981 -13.712 2.481 1.00 0.39 C ATOM 637 C PHE A 60 6.903 -13.587 1.279 1.00 0.40 C ATOM 638 O PHE A 60 7.738 -12.686 1.216 1.00 0.42 O ATOM 639 CB PHE A 60 4.580 -13.182 2.136 1.00 0.40 C ATOM 640 CG PHE A 60 4.556 -11.804 1.529 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.535 -10.675 2.330 1.00 1.22 C ATOM 642 CD2 PHE A 60 4.538 -11.641 0.150 1.00 1.19 C ATOM 643 CE1 PHE A 60 4.502 -9.411 1.769 1.00 1.20 C ATOM 644 CE2 PHE A 60 4.505 -10.381 -0.414 1.00 1.22 C ATOM 645 CZ PHE A 60 4.486 -9.265 0.396 1.00 0.33 C ATOM 0 H PHE A 60 6.940 -12.088 3.397 1.00 0.35 H new ATOM 0 HA PHE A 60 5.880 -14.763 2.751 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.105 -13.877 1.443 1.00 0.40 H new ATOM 0 HB3 PHE A 60 3.977 -13.174 3.044 1.00 0.40 H new ATOM 0 HD1 PHE A 60 4.544 -10.782 3.405 1.00 1.22 H new ATOM 0 HD2 PHE A 60 4.550 -12.511 -0.490 1.00 1.19 H new ATOM 0 HE1 PHE A 60 4.489 -8.538 2.405 1.00 1.20 H new ATOM 0 HE2 PHE A 60 4.494 -10.270 -1.488 1.00 1.22 H new ATOM 0 HZ PHE A 60 4.459 -8.279 -0.043 1.00 0.33 H new ATOM 655 N GLU A 61 6.762 -14.500 0.340 1.00 0.48 N ATOM 656 CA GLU A 61 7.578 -14.484 -0.858 1.00 0.55 C ATOM 657 C GLU A 61 6.891 -13.686 -1.957 1.00 0.50 C ATOM 658 O GLU A 61 5.671 -13.734 -2.108 1.00 0.48 O ATOM 659 CB GLU A 61 7.843 -15.913 -1.332 1.00 0.70 C ATOM 660 CG GLU A 61 8.591 -16.766 -0.320 1.00 0.81 C ATOM 661 CD GLU A 61 9.946 -16.189 0.043 1.00 1.48 C ATOM 662 OE1 GLU A 61 10.863 -16.226 -0.806 1.00 2.33 O ATOM 663 OE2 GLU A 61 10.105 -15.700 1.179 1.00 2.05 O ATOM 0 H GLU A 61 6.088 -15.265 0.383 1.00 0.48 H new ATOM 0 HA GLU A 61 8.530 -14.007 -0.625 1.00 0.55 H new ATOM 0 HB2 GLU A 61 6.891 -16.391 -1.564 1.00 0.70 H new ATOM 0 HB3 GLU A 61 8.416 -15.878 -2.258 1.00 0.70 H new ATOM 0 HG2 GLU A 61 7.988 -16.864 0.583 1.00 0.81 H new ATOM 0 HG3 GLU A 61 8.724 -17.769 -0.724 1.00 0.81 H new ATOM 670 N ARG A 62 7.693 -12.961 -2.726 1.00 0.54 N ATOM 671 CA ARG A 62 7.199 -12.144 -3.834 1.00 0.53 C ATOM 672 C ARG A 62 6.563 -13.019 -4.915 1.00 0.53 C ATOM 673 O ARG A 62 5.766 -12.547 -5.723 1.00 0.64 O ATOM 674 CB ARG A 62 8.355 -11.308 -4.403 1.00 0.63 C ATOM 675 CG ARG A 62 8.033 -10.556 -5.687 1.00 1.40 C ATOM 676 CD ARG A 62 9.177 -9.632 -6.089 1.00 1.46 C ATOM 677 NE ARG A 62 10.471 -10.317 -6.081 1.00 2.25 N ATOM 678 CZ ARG A 62 11.597 -9.779 -5.608 1.00 2.60 C ATOM 679 NH1 ARG A 62 11.613 -8.520 -5.193 1.00 2.13 N ATOM 680 NH2 ARG A 62 12.713 -10.497 -5.579 1.00 3.67 N ATOM 0 H ARG A 62 8.705 -12.921 -2.602 1.00 0.54 H new ATOM 0 HA ARG A 62 6.425 -11.471 -3.467 1.00 0.53 H new ATOM 0 HB2 ARG A 62 8.670 -10.588 -3.647 1.00 0.63 H new ATOM 0 HB3 ARG A 62 9.203 -11.967 -4.588 1.00 0.63 H new ATOM 0 HG2 ARG A 62 7.839 -11.268 -6.489 1.00 1.40 H new ATOM 0 HG3 ARG A 62 7.122 -9.973 -5.551 1.00 1.40 H new ATOM 0 HD2 ARG A 62 8.986 -9.232 -7.085 1.00 1.46 H new ATOM 0 HD3 ARG A 62 9.213 -8.783 -5.406 1.00 1.46 H new ATOM 0 HE ARG A 62 10.515 -11.263 -6.460 1.00 2.25 H new ATOM 0 HH11 ARG A 62 10.762 -7.958 -5.234 1.00 2.13 H new ATOM 0 HH12 ARG A 62 12.476 -8.113 -4.832 1.00 2.13 H new ATOM 0 HH21 ARG A 62 12.709 -11.459 -5.918 1.00 3.67 H new ATOM 0 HH22 ARG A 62 13.574 -10.087 -5.218 1.00 3.67 H new ATOM 694 N GLU A 63 6.910 -14.298 -4.915 1.00 0.58 N ATOM 695 CA GLU A 63 6.315 -15.254 -5.838 1.00 0.64 C ATOM 696 C GLU A 63 5.043 -15.862 -5.249 1.00 0.63 C ATOM 697 O GLU A 63 4.370 -16.664 -5.897 1.00 0.75 O ATOM 698 CB GLU A 63 7.307 -16.373 -6.159 1.00 0.74 C ATOM 699 CG GLU A 63 7.707 -17.191 -4.942 1.00 1.70 C ATOM 700 CD GLU A 63 8.452 -18.454 -5.310 1.00 2.53 C ATOM 701 OE1 GLU A 63 7.797 -19.428 -5.732 1.00 3.12 O ATOM 702 OE2 GLU A 63 9.693 -18.486 -5.169 1.00 3.20 O ATOM 0 H GLU A 63 7.603 -14.699 -4.283 1.00 0.58 H new ATOM 0 HA GLU A 63 6.061 -14.719 -6.753 1.00 0.64 H new ATOM 0 HB2 GLU A 63 6.868 -17.036 -6.905 1.00 0.74 H new ATOM 0 HB3 GLU A 63 8.201 -15.939 -6.606 1.00 0.74 H new ATOM 0 HG2 GLU A 63 8.332 -16.582 -4.289 1.00 1.70 H new ATOM 0 HG3 GLU A 63 6.814 -17.453 -4.375 1.00 1.70 H new ATOM 709 N ALA A 64 4.719 -15.485 -4.018 1.00 0.55 N ATOM 710 CA ALA A 64 3.580 -16.064 -3.315 1.00 0.60 C ATOM 711 C ALA A 64 2.439 -15.062 -3.176 1.00 0.54 C ATOM 712 O ALA A 64 1.407 -15.365 -2.573 1.00 0.57 O ATOM 713 CB ALA A 64 4.010 -16.563 -1.944 1.00 0.67 C ATOM 0 H ALA A 64 5.229 -14.780 -3.485 1.00 0.55 H new ATOM 0 HA ALA A 64 3.215 -16.904 -3.906 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.152 -16.993 -1.428 1.00 0.67 H new ATOM 0 HB2 ALA A 64 4.783 -17.323 -2.059 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.404 -15.731 -1.361 1.00 0.67 H new ATOM 719 N VAL A 65 2.623 -13.878 -3.747 1.00 0.51 N ATOM 720 CA VAL A 65 1.641 -12.807 -3.632 1.00 0.47 C ATOM 721 C VAL A 65 0.293 -13.203 -4.245 1.00 0.53 C ATOM 722 O VAL A 65 -0.763 -12.900 -3.687 1.00 0.54 O ATOM 723 CB VAL A 65 2.161 -11.494 -4.274 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.644 -11.723 -5.695 1.00 0.51 C ATOM 725 CG2 VAL A 65 1.097 -10.411 -4.251 1.00 0.50 C ATOM 0 H VAL A 65 3.447 -13.635 -4.297 1.00 0.51 H new ATOM 0 HA VAL A 65 1.487 -12.632 -2.567 1.00 0.47 H new ATOM 0 HB VAL A 65 3.008 -11.159 -3.676 1.00 0.47 H new ATOM 0 HG11 VAL A 65 3.001 -10.782 -6.114 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.456 -12.450 -5.691 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.822 -12.102 -6.302 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.492 -9.503 -4.708 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.223 -10.748 -4.809 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.811 -10.203 -3.220 1.00 0.50 H new ATOM 729 N SER A 66 0.331 -13.908 -5.369 1.00 0.63 N ATOM 730 CA SER A 66 -0.886 -14.322 -6.051 1.00 0.75 C ATOM 731 C SER A 66 -1.657 -15.330 -5.201 1.00 0.76 C ATOM 732 O SER A 66 -2.888 -15.365 -5.221 1.00 0.84 O ATOM 733 CB SER A 66 -0.549 -14.922 -7.420 1.00 0.89 C ATOM 734 OG SER A 66 -1.720 -15.144 -8.191 1.00 1.63 O ATOM 0 H SER A 66 1.193 -14.205 -5.827 1.00 0.63 H new ATOM 0 HA SER A 66 -1.516 -13.445 -6.201 1.00 0.75 H new ATOM 0 HB2 SER A 66 0.121 -14.251 -7.958 1.00 0.89 H new ATOM 0 HB3 SER A 66 -0.016 -15.863 -7.285 1.00 0.89 H new ATOM 0 HG SER A 66 -1.473 -15.526 -9.059 1.00 1.63 H new ATOM 740 N GLY A 67 -0.925 -16.148 -4.452 1.00 0.73 N ATOM 741 CA GLY A 67 -1.552 -17.097 -3.555 1.00 0.75 C ATOM 742 C GLY A 67 -2.294 -16.402 -2.433 1.00 0.70 C ATOM 743 O GLY A 67 -3.440 -16.736 -2.142 1.00 0.76 O ATOM 0 H GLY A 67 0.095 -16.169 -4.451 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -2.245 -17.724 -4.116 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.793 -17.757 -3.135 1.00 0.75 H new ATOM 747 N ILE A 68 -1.643 -15.418 -1.821 1.00 0.63 N ATOM 748 CA ILE A 68 -2.256 -14.632 -0.754 1.00 0.59 C ATOM 749 C ILE A 68 -3.520 -13.943 -1.259 1.00 0.63 C ATOM 750 O ILE A 68 -4.576 -14.005 -0.625 1.00 0.71 O ATOM 751 CB ILE A 68 -1.282 -13.557 -0.218 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.007 -14.208 0.285 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.938 -12.744 0.891 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.047 -13.212 0.756 1.00 0.45 C ATOM 0 H ILE A 68 -0.687 -15.144 -2.047 1.00 0.63 H new ATOM 0 HA ILE A 68 -2.506 -15.320 0.054 1.00 0.59 H new ATOM 0 HB ILE A 68 -1.032 -12.881 -1.036 1.00 0.51 H new ATOM 0 HG12 ILE A 68 -0.234 -14.884 1.105 1.00 0.50 H new ATOM 0 HG13 ILE A 68 0.433 -14.815 -0.514 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -1.237 -11.993 1.255 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.829 -12.251 0.502 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -2.218 -13.406 1.710 1.00 0.50 H new ATOM 0 HD11 ILE A 68 1.933 -13.746 1.098 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.317 -12.551 -0.068 1.00 0.45 H new ATOM 0 HD13 ILE A 68 0.640 -12.621 1.577 1.00 0.45 H new ATOM 761 N LEU A 69 -3.406 -13.315 -2.421 1.00 0.62 N ATOM 762 CA LEU A 69 -4.515 -12.579 -3.017 1.00 0.67 C ATOM 763 C LEU A 69 -5.643 -13.513 -3.445 1.00 0.85 C ATOM 764 O LEU A 69 -6.787 -13.082 -3.608 1.00 1.14 O ATOM 765 CB LEU A 69 -4.024 -11.772 -4.216 1.00 0.62 C ATOM 766 CG LEU A 69 -2.976 -10.707 -3.894 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.538 -9.979 -5.156 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.520 -9.721 -2.874 1.00 0.45 C ATOM 0 H LEU A 69 -2.549 -13.300 -2.975 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.910 -11.902 -2.260 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.607 -12.460 -4.951 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.881 -11.287 -4.684 1.00 0.62 H new ATOM 0 HG LEU A 69 -2.104 -11.204 -3.468 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.792 -9.226 -4.901 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -2.107 -10.694 -5.857 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.400 -9.495 -5.615 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -2.762 -8.969 -2.655 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.409 -9.234 -3.276 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.780 -10.251 -1.958 1.00 0.45 H new ATOM 780 N GLY A 70 -5.314 -14.784 -3.632 1.00 0.81 N ATOM 781 CA GLY A 70 -6.312 -15.762 -4.010 1.00 0.94 C ATOM 782 C GLY A 70 -7.040 -16.327 -2.808 1.00 0.99 C ATOM 783 O GLY A 70 -8.201 -16.724 -2.903 1.00 1.25 O ATOM 0 H GLY A 70 -4.370 -15.155 -3.528 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -7.032 -15.301 -4.686 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -5.834 -16.574 -4.558 1.00 0.94 H new ATOM 787 N LYS A 71 -6.352 -16.368 -1.674 1.00 0.87 N ATOM 788 CA LYS A 71 -6.944 -16.853 -0.436 1.00 0.98 C ATOM 789 C LYS A 71 -7.863 -15.796 0.159 1.00 0.99 C ATOM 790 O LYS A 71 -8.995 -16.087 0.545 1.00 1.26 O ATOM 791 CB LYS A 71 -5.855 -17.220 0.576 1.00 1.11 C ATOM 792 CG LYS A 71 -4.932 -18.330 0.105 1.00 1.69 C ATOM 793 CD LYS A 71 -3.846 -18.617 1.128 1.00 2.11 C ATOM 794 CE LYS A 71 -2.879 -19.675 0.628 1.00 2.60 C ATOM 795 NZ LYS A 71 -1.796 -19.947 1.608 1.00 3.16 N ATOM 0 H LYS A 71 -5.380 -16.070 -1.587 1.00 0.87 H new ATOM 0 HA LYS A 71 -7.526 -17.746 -0.664 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -5.260 -16.333 0.794 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -6.327 -17.524 1.510 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -5.512 -19.235 -0.077 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -4.475 -18.048 -0.844 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -3.301 -17.699 1.349 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -4.301 -18.950 2.061 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -3.424 -20.597 0.425 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -2.441 -19.349 -0.315 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -1.158 -20.675 1.227 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -1.259 -19.074 1.783 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -2.212 -20.283 2.500 1.00 3.16 H new ATOM 809 N SER A 72 -7.372 -14.569 0.220 1.00 0.92 N ATOM 810 CA SER A 72 -8.140 -13.461 0.761 1.00 1.08 C ATOM 811 C SER A 72 -9.200 -13.003 -0.238 1.00 1.04 C ATOM 812 O SER A 72 -9.035 -13.164 -1.449 1.00 1.21 O ATOM 813 CB SER A 72 -7.198 -12.306 1.094 1.00 1.30 C ATOM 814 OG SER A 72 -6.134 -12.748 1.915 1.00 2.02 O ATOM 0 H SER A 72 -6.438 -14.315 -0.101 1.00 0.92 H new ATOM 0 HA SER A 72 -8.646 -13.790 1.668 1.00 1.08 H new ATOM 0 HB2 SER A 72 -6.800 -11.878 0.174 1.00 1.30 H new ATOM 0 HB3 SER A 72 -7.750 -11.515 1.601 1.00 1.30 H new ATOM 0 HG SER A 72 -6.464 -12.898 2.826 1.00 2.02 H new ATOM 820 N GLU A 73 -10.279 -12.410 0.269 1.00 1.13 N ATOM 821 CA GLU A 73 -11.393 -11.990 -0.580 1.00 1.31 C ATOM 822 C GLU A 73 -11.065 -10.716 -1.357 1.00 1.26 C ATOM 823 O GLU A 73 -11.965 -10.015 -1.820 1.00 1.87 O ATOM 824 CB GLU A 73 -12.664 -11.771 0.245 1.00 1.67 C ATOM 825 CG GLU A 73 -13.110 -12.992 1.027 1.00 1.87 C ATOM 826 CD GLU A 73 -13.201 -14.238 0.169 1.00 2.12 C ATOM 827 OE1 GLU A 73 -14.132 -14.335 -0.655 1.00 2.64 O ATOM 828 OE2 GLU A 73 -12.340 -15.128 0.318 1.00 2.46 O ATOM 0 H GLU A 73 -10.406 -12.210 1.261 1.00 1.13 H new ATOM 0 HA GLU A 73 -11.564 -12.796 -1.294 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -12.496 -10.948 0.940 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -13.470 -11.465 -0.422 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -12.411 -13.170 1.844 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -14.083 -12.794 1.477 1.00 1.87 H new ATOM 835 N PHE A 74 -9.781 -10.420 -1.500 1.00 1.04 N ATOM 836 CA PHE A 74 -9.350 -9.290 -2.306 1.00 1.02 C ATOM 837 C PHE A 74 -9.323 -9.684 -3.777 1.00 1.08 C ATOM 838 O PHE A 74 -9.283 -8.831 -4.657 1.00 1.45 O ATOM 839 CB PHE A 74 -7.973 -8.787 -1.861 1.00 0.94 C ATOM 840 CG PHE A 74 -7.969 -8.169 -0.490 1.00 0.96 C ATOM 841 CD1 PHE A 74 -8.689 -7.011 -0.238 1.00 1.18 C ATOM 842 CD2 PHE A 74 -7.248 -8.742 0.546 1.00 1.61 C ATOM 843 CE1 PHE A 74 -8.689 -6.437 1.019 1.00 1.25 C ATOM 844 CE2 PHE A 74 -7.246 -8.172 1.805 1.00 1.70 C ATOM 845 CZ PHE A 74 -7.966 -7.019 2.042 1.00 1.19 C ATOM 0 H PHE A 74 -9.022 -10.947 -1.068 1.00 1.04 H new ATOM 0 HA PHE A 74 -10.062 -8.477 -2.167 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -7.269 -9.619 -1.877 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.614 -8.053 -2.582 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.257 -6.552 -1.034 1.00 1.18 H new ATOM 0 HD2 PHE A 74 -6.681 -9.644 0.367 1.00 1.61 H new ATOM 0 HE1 PHE A 74 -9.254 -5.535 1.201 1.00 1.25 H new ATOM 0 HE2 PHE A 74 -6.681 -8.629 2.604 1.00 1.70 H new ATOM 0 HZ PHE A 74 -7.964 -6.573 3.025 1.00 1.19 H new ATOM 855 N LYS A 75 -9.325 -10.999 -4.018 1.00 1.12 N ATOM 856 CA LYS A 75 -9.487 -11.576 -5.359 1.00 1.23 C ATOM 857 C LYS A 75 -8.413 -11.093 -6.332 1.00 1.54 C ATOM 858 O LYS A 75 -8.637 -11.059 -7.545 1.00 2.04 O ATOM 859 CB LYS A 75 -10.877 -11.249 -5.923 1.00 1.43 C ATOM 860 CG LYS A 75 -12.023 -11.577 -4.979 1.00 1.47 C ATOM 861 CD LYS A 75 -12.030 -13.043 -4.577 1.00 1.66 C ATOM 862 CE LYS A 75 -13.127 -13.332 -3.568 1.00 2.28 C ATOM 863 NZ LYS A 75 -13.098 -14.741 -3.097 1.00 2.85 N ATOM 0 H LYS A 75 -9.214 -11.699 -3.284 1.00 1.12 H new ATOM 0 HA LYS A 75 -9.379 -12.655 -5.252 1.00 1.23 H new ATOM 0 HB2 LYS A 75 -10.917 -10.188 -6.170 1.00 1.43 H new ATOM 0 HB3 LYS A 75 -11.018 -11.799 -6.854 1.00 1.43 H new ATOM 0 HG2 LYS A 75 -11.945 -10.957 -4.086 1.00 1.47 H new ATOM 0 HG3 LYS A 75 -12.970 -11.328 -5.458 1.00 1.47 H new ATOM 0 HD2 LYS A 75 -12.173 -13.664 -5.461 1.00 1.66 H new ATOM 0 HD3 LYS A 75 -11.062 -13.311 -4.152 1.00 1.66 H new ATOM 0 HE2 LYS A 75 -13.019 -12.663 -2.714 1.00 2.28 H new ATOM 0 HE3 LYS A 75 -14.097 -13.121 -4.018 1.00 2.28 H new ATOM 0 HZ1 LYS A 75 -13.625 -14.819 -2.204 1.00 2.85 H new ATOM 0 HZ2 LYS A 75 -13.536 -15.355 -3.813 1.00 2.85 H new ATOM 0 HZ3 LYS A 75 -12.112 -15.036 -2.944 1.00 2.85 H new ATOM 877 N GLY A 76 -7.254 -10.725 -5.802 1.00 1.89 N ATOM 878 CA GLY A 76 -6.173 -10.246 -6.642 1.00 2.41 C ATOM 879 C GLY A 76 -6.508 -8.949 -7.352 1.00 1.95 C ATOM 880 O GLY A 76 -5.998 -8.681 -8.438 1.00 2.42 O ATOM 0 H GLY A 76 -7.043 -10.750 -4.804 1.00 1.89 H new ATOM 0 HA2 GLY A 76 -5.282 -10.100 -6.031 1.00 2.41 H new ATOM 0 HA3 GLY A 76 -5.930 -11.008 -7.383 1.00 2.41 H new ATOM 884 N GLN A 77 -7.378 -8.150 -6.751 1.00 1.50 N ATOM 885 CA GLN A 77 -7.737 -6.861 -7.320 1.00 1.32 C ATOM 886 C GLN A 77 -6.654 -5.837 -7.022 1.00 1.10 C ATOM 887 O GLN A 77 -6.020 -5.878 -5.970 1.00 1.51 O ATOM 888 CB GLN A 77 -9.079 -6.378 -6.767 1.00 1.56 C ATOM 889 CG GLN A 77 -10.247 -7.290 -7.111 1.00 2.02 C ATOM 890 CD GLN A 77 -10.393 -7.521 -8.601 1.00 2.54 C ATOM 891 OE1 GLN A 77 -11.071 -6.766 -9.293 1.00 2.88 O ATOM 892 NE2 GLN A 77 -9.771 -8.579 -9.099 1.00 3.28 N ATOM 0 H GLN A 77 -7.846 -8.371 -5.872 1.00 1.50 H new ATOM 0 HA GLN A 77 -7.830 -6.978 -8.400 1.00 1.32 H new ATOM 0 HB2 GLN A 77 -9.005 -6.291 -5.683 1.00 1.56 H new ATOM 0 HB3 GLN A 77 -9.283 -5.380 -7.154 1.00 1.56 H new ATOM 0 HG2 GLN A 77 -10.113 -8.249 -6.611 1.00 2.02 H new ATOM 0 HG3 GLN A 77 -11.168 -6.855 -6.724 1.00 2.02 H new ATOM 0 HE21 GLN A 77 -9.218 -9.180 -8.488 1.00 3.28 H new ATOM 0 HE22 GLN A 77 -9.845 -8.793 -10.094 1.00 3.28 H new ATOM 901 N HIS A 78 -6.444 -4.933 -7.963 1.00 0.88 N ATOM 902 CA HIS A 78 -5.443 -3.888 -7.819 1.00 0.85 C ATOM 903 C HIS A 78 -5.800 -2.973 -6.658 1.00 0.69 C ATOM 904 O HIS A 78 -6.937 -2.519 -6.538 1.00 0.68 O ATOM 905 CB HIS A 78 -5.344 -3.066 -9.106 1.00 1.02 C ATOM 906 CG HIS A 78 -4.833 -3.839 -10.281 1.00 1.16 C ATOM 907 ND1 HIS A 78 -5.643 -4.260 -11.314 1.00 1.50 N ATOM 908 CD2 HIS A 78 -3.584 -4.258 -10.590 1.00 1.41 C ATOM 909 CE1 HIS A 78 -4.914 -4.903 -12.206 1.00 1.96 C ATOM 910 NE2 HIS A 78 -3.663 -4.915 -11.792 1.00 1.85 N ATOM 0 H HIS A 78 -6.958 -4.901 -8.843 1.00 0.88 H new ATOM 0 HA HIS A 78 -4.480 -4.359 -7.621 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -6.329 -2.666 -9.347 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -4.688 -2.213 -8.931 1.00 1.02 H new ATOM 0 HD2 HIS A 78 -2.692 -4.104 -10.001 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -5.281 -5.345 -13.121 1.00 1.96 H new ATOM 0 HE2 HIS A 78 -2.880 -5.344 -12.285 1.00 1.85 H new ATOM 919 N LEU A 79 -4.805 -2.707 -5.815 1.00 0.60 N ATOM 920 CA LEU A 79 -4.973 -1.859 -4.639 1.00 0.46 C ATOM 921 C LEU A 79 -5.554 -0.500 -5.016 1.00 0.44 C ATOM 922 O LEU A 79 -6.353 0.068 -4.282 1.00 0.42 O ATOM 923 CB LEU A 79 -3.623 -1.668 -3.939 1.00 0.44 C ATOM 924 CG LEU A 79 -3.657 -0.837 -2.655 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.448 -1.554 -1.574 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.245 -0.542 -2.174 1.00 0.41 C ATOM 0 H LEU A 79 -3.860 -3.074 -5.929 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.671 -2.352 -3.962 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.213 -2.650 -3.704 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -2.935 -1.195 -4.639 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.153 0.109 -2.872 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.460 -0.947 -0.669 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.470 -1.715 -1.917 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.982 -2.516 -1.359 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.288 0.050 -1.260 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.725 -1.479 -1.975 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.708 0.015 -2.942 1.00 0.41 H new ATOM 938 N ALA A 80 -5.156 0.006 -6.174 1.00 0.50 N ATOM 939 CA ALA A 80 -5.625 1.302 -6.642 1.00 0.54 C ATOM 940 C ALA A 80 -7.109 1.261 -6.990 1.00 0.58 C ATOM 941 O ALA A 80 -7.836 2.227 -6.768 1.00 0.61 O ATOM 942 CB ALA A 80 -4.812 1.742 -7.838 1.00 0.63 C ATOM 0 H ALA A 80 -4.508 -0.462 -6.808 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.494 2.025 -5.837 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.168 2.713 -8.183 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -3.762 1.820 -7.555 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -4.918 1.011 -8.639 1.00 0.63 H new ATOM 948 N ASP A 81 -7.554 0.131 -7.528 1.00 0.64 N ATOM 949 CA ASP A 81 -8.962 -0.054 -7.857 1.00 0.70 C ATOM 950 C ASP A 81 -9.772 -0.116 -6.572 1.00 0.60 C ATOM 951 O ASP A 81 -10.847 0.477 -6.464 1.00 0.67 O ATOM 952 CB ASP A 81 -9.155 -1.344 -8.662 1.00 0.78 C ATOM 953 CG ASP A 81 -10.581 -1.528 -9.138 1.00 1.52 C ATOM 954 OD1 ASP A 81 -11.437 -1.942 -8.334 1.00 2.06 O ATOM 955 OD2 ASP A 81 -10.851 -1.275 -10.332 1.00 2.30 O ATOM 0 H ASP A 81 -6.961 -0.670 -7.745 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.303 0.785 -8.463 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -8.487 -1.333 -9.523 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -8.868 -2.197 -8.047 1.00 0.78 H new ATOM 960 N ILE A 82 -9.221 -0.828 -5.600 1.00 0.50 N ATOM 961 CA ILE A 82 -9.810 -0.943 -4.274 1.00 0.45 C ATOM 962 C ILE A 82 -9.980 0.430 -3.623 1.00 0.48 C ATOM 963 O ILE A 82 -11.035 0.743 -3.071 1.00 0.61 O ATOM 964 CB ILE A 82 -8.929 -1.841 -3.379 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.003 -3.294 -3.856 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.335 -1.724 -1.919 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.094 -4.233 -3.092 1.00 0.61 C ATOM 0 H ILE A 82 -8.348 -1.345 -5.710 1.00 0.50 H new ATOM 0 HA ILE A 82 -10.796 -1.394 -4.382 1.00 0.45 H new ATOM 0 HB ILE A 82 -7.896 -1.502 -3.460 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.031 -3.645 -3.766 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -8.744 -3.333 -4.914 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -8.698 -2.367 -1.312 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.224 -0.690 -1.592 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.375 -2.031 -1.805 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -8.201 -5.244 -3.486 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.059 -3.908 -3.203 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -8.366 -4.224 -2.037 1.00 0.61 H new ATOM 974 N LEU A 83 -8.941 1.248 -3.709 1.00 0.44 N ATOM 975 CA LEU A 83 -8.958 2.580 -3.113 1.00 0.52 C ATOM 976 C LEU A 83 -9.936 3.500 -3.835 1.00 0.69 C ATOM 977 O LEU A 83 -10.516 4.399 -3.230 1.00 0.83 O ATOM 978 CB LEU A 83 -7.551 3.181 -3.120 1.00 0.47 C ATOM 979 CG LEU A 83 -6.697 2.875 -1.882 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.724 1.393 -1.541 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.268 3.331 -2.112 1.00 0.42 C ATOM 0 H LEU A 83 -8.071 1.013 -4.187 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.295 2.483 -2.081 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.024 2.818 -4.002 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.637 4.263 -3.222 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.119 3.421 -1.038 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.109 1.211 -0.660 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.750 1.085 -1.338 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.333 0.819 -2.381 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.669 3.110 -1.229 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.853 2.806 -2.973 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.254 4.405 -2.300 1.00 0.42 H new ATOM 993 N ASN A 84 -10.128 3.266 -5.126 1.00 0.74 N ATOM 994 CA ASN A 84 -11.100 4.030 -5.902 1.00 0.94 C ATOM 995 C ASN A 84 -12.519 3.633 -5.500 1.00 0.97 C ATOM 996 O ASN A 84 -13.471 4.393 -5.681 1.00 1.15 O ATOM 997 CB ASN A 84 -10.879 3.804 -7.403 1.00 1.04 C ATOM 998 CG ASN A 84 -11.847 4.591 -8.269 1.00 1.27 C ATOM 999 OD1 ASN A 84 -11.612 5.761 -8.577 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -12.932 3.953 -8.682 1.00 1.79 N ATOM 0 H ASN A 84 -9.626 2.556 -5.659 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.964 5.091 -5.693 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.858 4.085 -7.661 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.983 2.742 -7.624 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -13.609 4.431 -9.277 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -13.090 2.984 -8.405 1.00 1.79 H new ATOM 1007 N SER A 85 -12.644 2.441 -4.932 1.00 0.87 N ATOM 1008 CA SER A 85 -13.928 1.935 -4.474 1.00 0.93 C ATOM 1009 C SER A 85 -14.255 2.480 -3.084 1.00 0.91 C ATOM 1010 O SER A 85 -15.380 2.344 -2.604 1.00 1.01 O ATOM 1011 CB SER A 85 -13.910 0.403 -4.456 1.00 0.98 C ATOM 1012 OG SER A 85 -15.177 -0.127 -4.089 1.00 1.50 O ATOM 0 H SER A 85 -11.864 1.803 -4.777 1.00 0.87 H new ATOM 0 HA SER A 85 -14.702 2.271 -5.164 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.629 0.029 -5.441 1.00 0.98 H new ATOM 0 HB3 SER A 85 -13.151 0.055 -3.755 1.00 0.98 H new ATOM 0 HG SER A 85 -15.615 0.481 -3.458 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.269 3.103 -2.450 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.452 3.683 -1.126 1.00 0.95 C ATOM 1020 C ALA A 86 -13.854 5.149 -1.241 1.00 1.14 C ATOM 1021 O ALA A 86 -13.227 6.034 -0.658 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.179 3.537 -0.304 1.00 1.09 C ATOM 0 H ALA A 86 -12.331 3.220 -2.834 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.253 3.147 -0.617 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -12.331 3.975 0.683 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -11.933 2.480 -0.198 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.360 4.051 -0.807 1.00 1.09 H new ATOM 1028 N SER A 87 -14.907 5.394 -2.002 1.00 1.41 N ATOM 1029 CA SER A 87 -15.380 6.744 -2.250 1.00 1.70 C ATOM 1030 C SER A 87 -16.192 7.275 -1.068 1.00 1.53 C ATOM 1031 O SER A 87 -17.407 7.077 -0.988 1.00 1.80 O ATOM 1032 CB SER A 87 -16.208 6.760 -3.535 1.00 2.36 C ATOM 1033 OG SER A 87 -17.051 5.619 -3.617 1.00 3.09 O ATOM 0 H SER A 87 -15.455 4.667 -2.463 1.00 1.41 H new ATOM 0 HA SER A 87 -14.520 7.403 -2.369 1.00 1.70 H new ATOM 0 HB2 SER A 87 -16.813 7.666 -3.570 1.00 2.36 H new ATOM 0 HB3 SER A 87 -15.544 6.787 -4.399 1.00 2.36 H new ATOM 0 HG SER A 87 -17.565 5.532 -2.787 1.00 3.09 H new ATOM 1039 N ARG A 88 -15.505 7.929 -0.141 1.00 1.60 N ATOM 1040 CA ARG A 88 -16.153 8.517 1.024 1.00 1.65 C ATOM 1041 C ARG A 88 -16.755 9.874 0.685 1.00 1.89 C ATOM 1042 O ARG A 88 -16.300 10.559 -0.232 1.00 2.38 O ATOM 1043 CB ARG A 88 -15.156 8.675 2.175 1.00 2.05 C ATOM 1044 CG ARG A 88 -14.772 7.367 2.846 1.00 2.61 C ATOM 1045 CD ARG A 88 -13.865 7.602 4.045 1.00 3.30 C ATOM 1046 NE ARG A 88 -14.449 8.544 5.004 1.00 4.00 N ATOM 1047 CZ ARG A 88 -14.354 8.425 6.329 1.00 4.74 C ATOM 1048 NH1 ARG A 88 -13.745 7.375 6.866 1.00 4.99 N ATOM 1049 NH2 ARG A 88 -14.881 9.348 7.121 1.00 5.55 N ATOM 0 H ARG A 88 -14.495 8.066 -0.174 1.00 1.60 H new ATOM 0 HA ARG A 88 -16.952 7.843 1.332 1.00 1.65 H new ATOM 0 HB2 ARG A 88 -14.254 9.156 1.797 1.00 2.05 H new ATOM 0 HB3 ARG A 88 -15.583 9.343 2.923 1.00 2.05 H new ATOM 0 HG2 ARG A 88 -15.672 6.843 3.166 1.00 2.61 H new ATOM 0 HG3 ARG A 88 -14.267 6.722 2.127 1.00 2.61 H new ATOM 0 HD2 ARG A 88 -13.671 6.652 4.543 1.00 3.30 H new ATOM 0 HD3 ARG A 88 -12.904 7.984 3.702 1.00 3.30 H new ATOM 0 HE ARG A 88 -14.962 9.344 4.633 1.00 4.00 H new ATOM 0 HH11 ARG A 88 -13.347 6.654 6.265 1.00 4.99 H new ATOM 0 HH12 ARG A 88 -13.675 7.289 7.880 1.00 4.99 H new ATOM 0 HH21 ARG A 88 -15.361 10.152 6.718 1.00 5.55 H new ATOM 0 HH22 ARG A 88 -14.806 9.254 8.134 1.00 5.55 H new ATOM 1063 N VAL A 89 -17.784 10.250 1.429 1.00 1.99 N ATOM 1064 CA VAL A 89 -18.413 11.552 1.272 1.00 2.41 C ATOM 1065 C VAL A 89 -17.861 12.518 2.322 1.00 2.25 C ATOM 1066 O VAL A 89 -17.799 12.185 3.506 1.00 2.30 O ATOM 1067 CB VAL A 89 -19.958 11.450 1.386 1.00 3.06 C ATOM 1068 CG1 VAL A 89 -20.377 10.825 2.709 1.00 3.58 C ATOM 1069 CG2 VAL A 89 -20.610 12.815 1.210 1.00 3.55 C ATOM 0 H VAL A 89 -18.204 9.667 2.153 1.00 1.99 H new ATOM 0 HA VAL A 89 -18.181 11.930 0.276 1.00 2.41 H new ATOM 0 HB VAL A 89 -20.303 10.799 0.583 1.00 3.06 H new ATOM 0 HG11 VAL A 89 -21.464 10.768 2.756 1.00 3.58 H new ATOM 0 HG12 VAL A 89 -19.958 9.822 2.786 1.00 3.58 H new ATOM 0 HG13 VAL A 89 -20.009 11.437 3.533 1.00 3.58 H new ATOM 0 HG21 VAL A 89 -21.692 12.715 1.294 1.00 3.55 H new ATOM 0 HG22 VAL A 89 -20.247 13.494 1.982 1.00 3.55 H new ATOM 0 HG23 VAL A 89 -20.358 13.215 0.228 1.00 3.55 H new ATOM 1073 N PRO A 90 -17.413 13.711 1.898 1.00 2.60 N ATOM 1074 CA PRO A 90 -16.823 14.705 2.799 1.00 2.83 C ATOM 1075 C PRO A 90 -17.779 15.135 3.907 1.00 2.80 C ATOM 1076 O PRO A 90 -18.871 15.638 3.641 1.00 3.31 O ATOM 1077 CB PRO A 90 -16.498 15.892 1.881 1.00 3.67 C ATOM 1078 CG PRO A 90 -17.319 15.673 0.657 1.00 3.95 C ATOM 1079 CD PRO A 90 -17.438 14.186 0.505 1.00 3.27 C ATOM 0 HA PRO A 90 -15.952 14.304 3.317 1.00 2.83 H new ATOM 0 HB2 PRO A 90 -16.748 16.839 2.359 1.00 3.67 H new ATOM 0 HB3 PRO A 90 -15.435 15.926 1.642 1.00 3.67 H new ATOM 0 HG2 PRO A 90 -18.301 16.136 0.757 1.00 3.95 H new ATOM 0 HG3 PRO A 90 -16.844 16.119 -0.217 1.00 3.95 H new ATOM 0 HD2 PRO A 90 -18.361 13.904 -0.002 1.00 3.27 H new ATOM 0 HD3 PRO A 90 -16.615 13.772 -0.078 1.00 3.27 H new ATOM 1087 N GLU A 91 -17.373 14.907 5.146 1.00 2.59 N ATOM 1088 CA GLU A 91 -18.149 15.336 6.295 1.00 2.75 C ATOM 1089 C GLU A 91 -17.451 16.501 6.987 1.00 2.55 C ATOM 1090 O GLU A 91 -16.258 16.735 6.774 1.00 2.93 O ATOM 1091 CB GLU A 91 -18.354 14.183 7.288 1.00 3.30 C ATOM 1092 CG GLU A 91 -17.071 13.663 7.926 1.00 3.94 C ATOM 1093 CD GLU A 91 -16.254 12.789 6.998 1.00 4.58 C ATOM 1094 OE1 GLU A 91 -16.474 11.563 6.988 1.00 5.08 O ATOM 1095 OE2 GLU A 91 -15.386 13.322 6.272 1.00 5.02 O ATOM 0 H GLU A 91 -16.506 14.424 5.381 1.00 2.59 H new ATOM 0 HA GLU A 91 -19.129 15.658 5.942 1.00 2.75 H new ATOM 0 HB2 GLU A 91 -19.028 14.515 8.077 1.00 3.30 H new ATOM 0 HB3 GLU A 91 -18.848 13.360 6.772 1.00 3.30 H new ATOM 0 HG2 GLU A 91 -16.463 14.509 8.246 1.00 3.94 H new ATOM 0 HG3 GLU A 91 -17.323 13.095 8.821 1.00 3.94 H new ATOM 1102 N SER A 92 -18.191 17.227 7.804 1.00 2.55 N ATOM 1103 CA SER A 92 -17.641 18.351 8.537 1.00 2.76 C ATOM 1104 C SER A 92 -18.514 18.633 9.755 1.00 2.95 C ATOM 1105 O SER A 92 -18.160 18.179 10.862 1.00 3.07 O ATOM 1106 CB SER A 92 -17.554 19.585 7.631 1.00 3.61 C ATOM 1107 OG SER A 92 -16.717 20.587 8.187 1.00 4.12 O ATOM 1108 OXT SER A 92 -19.572 19.274 9.595 1.00 3.54 O ATOM 0 H SER A 92 -19.182 17.056 7.977 1.00 2.55 H new ATOM 0 HA SER A 92 -16.632 18.109 8.872 1.00 2.76 H new ATOM 0 HB2 SER A 92 -17.171 19.292 6.653 1.00 3.61 H new ATOM 0 HB3 SER A 92 -18.553 19.992 7.473 1.00 3.61 H new ATOM 0 HG SER A 92 -16.683 21.358 7.583 1.00 4.12 H new TER 1114 SER A 92 ATOM 1115 N MET B 14 -14.172 10.772 -7.948 1.00 4.46 N ATOM 1116 CA MET B 14 -13.774 11.560 -6.759 1.00 3.81 C ATOM 1117 C MET B 14 -12.255 11.655 -6.663 1.00 2.82 C ATOM 1118 O MET B 14 -11.663 12.658 -7.058 1.00 2.99 O ATOM 1119 CB MET B 14 -14.344 10.935 -5.482 1.00 4.49 C ATOM 1120 CG MET B 14 -15.863 10.903 -5.442 1.00 5.01 C ATOM 1121 SD MET B 14 -16.502 10.092 -3.965 1.00 5.79 S ATOM 1122 CE MET B 14 -18.260 10.118 -4.303 1.00 6.44 C ATOM 0 HA MET B 14 -14.181 12.566 -6.866 1.00 3.81 H new ATOM 0 HB2 MET B 14 -13.965 9.917 -5.386 1.00 4.49 H new ATOM 0 HB3 MET B 14 -13.978 11.494 -4.620 1.00 4.49 H new ATOM 0 HG2 MET B 14 -16.245 11.923 -5.486 1.00 5.01 H new ATOM 0 HG3 MET B 14 -16.235 10.385 -6.326 1.00 5.01 H new ATOM 0 HE1 MET B 14 -18.796 9.650 -3.478 1.00 6.44 H new ATOM 0 HE2 MET B 14 -18.594 11.150 -4.414 1.00 6.44 H new ATOM 0 HE3 MET B 14 -18.462 9.570 -5.224 1.00 6.44 H new ATOM 1134 N MET B 15 -11.625 10.605 -6.150 1.00 2.12 N ATOM 1135 CA MET B 15 -10.176 10.593 -5.997 1.00 1.95 C ATOM 1136 C MET B 15 -9.496 9.993 -7.220 1.00 1.69 C ATOM 1137 O MET B 15 -8.458 10.479 -7.663 1.00 2.48 O ATOM 1138 CB MET B 15 -9.754 9.815 -4.741 1.00 2.52 C ATOM 1139 CG MET B 15 -10.232 8.366 -4.701 1.00 3.06 C ATOM 1140 SD MET B 15 -11.987 8.211 -4.313 1.00 3.93 S ATOM 1141 CE MET B 15 -11.979 8.653 -2.576 1.00 4.73 C ATOM 0 H MET B 15 -12.092 9.755 -5.834 1.00 2.12 H new ATOM 0 HA MET B 15 -9.858 11.630 -5.891 1.00 1.95 H new ATOM 0 HB2 MET B 15 -8.666 9.827 -4.670 1.00 2.52 H new ATOM 0 HB3 MET B 15 -10.136 10.334 -3.862 1.00 2.52 H new ATOM 0 HG2 MET B 15 -10.037 7.898 -5.666 1.00 3.06 H new ATOM 0 HG3 MET B 15 -9.652 7.819 -3.958 1.00 3.06 H new ATOM 0 HE1 MET B 15 -12.908 9.165 -2.327 1.00 4.73 H new ATOM 0 HE2 MET B 15 -11.888 7.751 -1.971 1.00 4.73 H new ATOM 0 HE3 MET B 15 -11.135 9.313 -2.372 1.00 4.73 H new ATOM 1151 N SER B 16 -10.095 8.921 -7.737 1.00 1.19 N ATOM 1152 CA SER B 16 -9.564 8.162 -8.874 1.00 1.17 C ATOM 1153 C SER B 16 -8.330 7.346 -8.480 1.00 1.05 C ATOM 1154 O SER B 16 -7.856 6.507 -9.250 1.00 1.91 O ATOM 1155 CB SER B 16 -9.245 9.080 -10.055 1.00 1.62 C ATOM 1156 OG SER B 16 -10.411 9.744 -10.516 1.00 2.01 O ATOM 0 H SER B 16 -10.973 8.549 -7.375 1.00 1.19 H new ATOM 0 HA SER B 16 -10.342 7.465 -9.185 1.00 1.17 H new ATOM 0 HB2 SER B 16 -8.498 9.816 -9.756 1.00 1.62 H new ATOM 0 HB3 SER B 16 -8.811 8.496 -10.866 1.00 1.62 H new ATOM 0 HG SER B 16 -10.180 10.326 -11.270 1.00 2.01 H new ATOM 1162 N ALA B 17 -7.833 7.603 -7.267 1.00 0.94 N ATOM 1163 CA ALA B 17 -6.676 6.914 -6.710 1.00 0.81 C ATOM 1164 C ALA B 17 -5.426 7.176 -7.543 1.00 0.69 C ATOM 1165 O ALA B 17 -4.979 6.323 -8.310 1.00 0.71 O ATOM 1166 CB ALA B 17 -6.944 5.421 -6.575 1.00 1.09 C ATOM 0 H ALA B 17 -8.230 8.304 -6.641 1.00 0.94 H new ATOM 0 HA ALA B 17 -6.497 7.313 -5.712 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.065 4.930 -6.157 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -7.797 5.263 -5.915 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.162 5.000 -7.557 1.00 1.09 H new ATOM 1172 N SER B 18 -4.872 8.369 -7.394 1.00 0.64 N ATOM 1173 CA SER B 18 -3.652 8.731 -8.093 1.00 0.61 C ATOM 1174 C SER B 18 -2.446 8.150 -7.366 1.00 0.50 C ATOM 1175 O SER B 18 -2.550 7.771 -6.198 1.00 0.45 O ATOM 1176 CB SER B 18 -3.525 10.249 -8.187 1.00 0.67 C ATOM 1177 OG SER B 18 -4.775 10.846 -8.492 1.00 1.33 O ATOM 0 H SER B 18 -5.249 9.103 -6.794 1.00 0.64 H new ATOM 0 HA SER B 18 -3.691 8.322 -9.102 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.149 10.645 -7.244 1.00 0.67 H new ATOM 0 HB3 SER B 18 -2.797 10.510 -8.955 1.00 0.67 H new ATOM 0 HG SER B 18 -5.308 10.925 -7.674 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.311 8.093 -8.049 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.111 7.467 -7.503 1.00 0.43 C ATOM 1185 C LYS B 19 0.242 8.024 -6.124 1.00 0.35 C ATOM 1186 O LYS B 19 0.361 7.271 -5.155 1.00 0.28 O ATOM 1187 CB LYS B 19 1.067 7.650 -8.464 1.00 0.54 C ATOM 1188 CG LYS B 19 0.867 6.975 -9.810 1.00 0.85 C ATOM 1189 CD LYS B 19 2.067 7.174 -10.716 1.00 1.13 C ATOM 1190 CE LYS B 19 1.886 6.464 -12.048 1.00 1.74 C ATOM 1191 NZ LYS B 19 0.784 7.051 -12.857 1.00 2.10 N ATOM 0 H LYS B 19 -1.194 8.475 -8.988 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.318 6.403 -7.387 1.00 0.43 H new ATOM 0 HB2 LYS B 19 1.233 8.716 -8.623 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.969 7.253 -7.999 1.00 0.54 H new ATOM 0 HG2 LYS B 19 0.695 5.909 -9.661 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -0.024 7.378 -10.291 1.00 0.85 H new ATOM 0 HD2 LYS B 19 2.221 8.239 -10.889 1.00 1.13 H new ATOM 0 HD3 LYS B 19 2.963 6.799 -10.222 1.00 1.13 H new ATOM 0 HE2 LYS B 19 2.816 6.516 -12.614 1.00 1.74 H new ATOM 0 HE3 LYS B 19 1.680 5.409 -11.869 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 0.797 6.639 -13.812 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 -0.128 6.844 -12.403 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 0.912 8.081 -12.923 1.00 2.10 H new ATOM 1205 N GLU B 20 0.381 9.343 -6.037 1.00 0.41 N ATOM 1206 CA GLU B 20 0.768 9.998 -4.787 1.00 0.42 C ATOM 1207 C GLU B 20 -0.265 9.767 -3.683 1.00 0.34 C ATOM 1208 O GLU B 20 0.089 9.626 -2.514 1.00 0.30 O ATOM 1209 CB GLU B 20 0.971 11.499 -5.020 1.00 0.57 C ATOM 1210 CG GLU B 20 -0.249 12.203 -5.591 1.00 0.64 C ATOM 1211 CD GLU B 20 0.032 13.643 -5.965 1.00 0.95 C ATOM 1212 OE1 GLU B 20 0.595 13.876 -7.053 1.00 1.49 O ATOM 1213 OE2 GLU B 20 -0.321 14.550 -5.183 1.00 1.58 O ATOM 0 H GLU B 20 0.232 9.983 -6.817 1.00 0.41 H new ATOM 0 HA GLU B 20 1.707 9.555 -4.456 1.00 0.42 H new ATOM 0 HB2 GLU B 20 1.241 11.970 -4.075 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.812 11.641 -5.699 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -0.596 11.664 -6.472 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.057 12.172 -4.860 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.535 9.706 -4.066 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.621 9.528 -3.108 1.00 0.39 C ATOM 1222 C GLU B 21 -2.574 8.132 -2.504 1.00 0.32 C ATOM 1223 O GLU B 21 -2.742 7.953 -1.297 1.00 0.33 O ATOM 1224 CB GLU B 21 -3.967 9.742 -3.798 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.080 11.077 -4.511 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.431 11.279 -5.165 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -5.794 10.482 -6.052 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -6.130 12.247 -4.804 1.00 1.49 O ATOM 0 H GLU B 21 -1.839 9.777 -5.037 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.502 10.262 -2.311 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.128 8.940 -4.519 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -4.762 9.668 -3.056 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -3.903 11.881 -3.797 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.300 11.146 -5.269 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.341 7.150 -3.359 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.240 5.764 -2.936 1.00 0.29 C ATOM 1237 C ILE B 22 -1.004 5.561 -2.074 1.00 0.24 C ATOM 1238 O ILE B 22 -1.073 4.955 -1.005 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.177 4.829 -4.157 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.444 4.989 -4.996 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -1.994 3.379 -3.721 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.352 4.342 -6.354 1.00 0.44 C ATOM 0 H ILE B 22 -2.217 7.291 -4.362 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.127 5.523 -2.351 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.315 5.103 -4.766 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.286 4.559 -4.454 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.655 6.051 -5.122 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -1.952 2.737 -4.601 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.066 3.283 -3.157 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -2.833 3.079 -3.093 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.286 4.495 -6.894 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.531 4.789 -6.915 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.172 3.273 -6.236 1.00 0.44 H new ATOM 1249 N ALA B 23 0.120 6.090 -2.543 1.00 0.20 N ATOM 1250 CA ALA B 23 1.377 5.993 -1.816 1.00 0.19 C ATOM 1251 C ALA B 23 1.255 6.619 -0.434 1.00 0.20 C ATOM 1252 O ALA B 23 1.838 6.127 0.530 1.00 0.20 O ATOM 1253 CB ALA B 23 2.489 6.660 -2.602 1.00 0.20 C ATOM 0 H ALA B 23 0.185 6.593 -3.428 1.00 0.20 H new ATOM 0 HA ALA B 23 1.619 4.938 -1.690 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.424 6.581 -2.048 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.597 6.168 -3.569 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.246 7.711 -2.755 1.00 0.20 H new ATOM 1259 N ALA B 24 0.481 7.695 -0.350 1.00 0.22 N ATOM 1260 CA ALA B 24 0.232 8.373 0.913 1.00 0.25 C ATOM 1261 C ALA B 24 -0.414 7.426 1.921 1.00 0.23 C ATOM 1262 O ALA B 24 -0.072 7.431 3.102 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.647 9.591 0.683 1.00 0.31 C ATOM 0 H ALA B 24 0.012 8.118 -1.151 1.00 0.22 H new ATOM 0 HA ALA B 24 1.186 8.700 1.326 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.829 10.093 1.633 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.146 10.277 -0.000 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.597 9.278 0.251 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.338 6.603 1.448 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.996 5.620 2.299 1.00 0.23 C ATOM 1271 C LEU B 25 -1.056 4.461 2.608 1.00 0.22 C ATOM 1272 O LEU B 25 -1.072 3.910 3.710 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.261 5.094 1.624 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.387 6.113 1.469 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.499 5.539 0.614 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.923 6.521 2.832 1.00 0.43 C ATOM 0 H LEU B 25 -1.650 6.596 0.477 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.269 6.109 3.234 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -2.996 4.716 0.637 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.635 4.247 2.200 1.00 0.26 H new ATOM 0 HG LEU B 25 -3.990 6.999 0.975 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.296 6.275 0.511 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.107 5.288 -0.372 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.895 4.640 1.087 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.725 7.248 2.705 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.308 5.642 3.349 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -4.120 6.966 3.420 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.236 4.104 1.629 1.00 0.20 N ATOM 1289 CA ILE B 26 0.722 3.018 1.787 1.00 0.21 C ATOM 1290 C ILE B 26 1.756 3.356 2.859 1.00 0.20 C ATOM 1291 O ILE B 26 2.014 2.552 3.758 1.00 0.22 O ATOM 1292 CB ILE B 26 1.437 2.699 0.454 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.418 2.256 -0.600 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.491 1.621 0.656 1.00 0.24 C ATOM 1295 CD1 ILE B 26 1.028 1.981 -1.959 1.00 0.27 C ATOM 0 H ILE B 26 -0.215 4.553 0.713 1.00 0.20 H new ATOM 0 HA ILE B 26 0.163 2.136 2.099 1.00 0.21 H new ATOM 0 HB ILE B 26 1.934 3.604 0.103 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.086 1.356 -0.249 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.344 3.029 -0.703 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.983 1.411 -0.294 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.230 1.966 1.379 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.016 0.713 1.028 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.246 1.672 -2.653 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.508 2.886 -2.332 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.769 1.187 -1.871 1.00 0.27 H new ATOM 1302 N VAL B 27 2.331 4.553 2.779 1.00 0.18 N ATOM 1303 CA VAL B 27 3.313 4.983 3.766 1.00 0.20 C ATOM 1304 C VAL B 27 2.651 5.198 5.125 1.00 0.22 C ATOM 1305 O VAL B 27 3.260 4.952 6.165 1.00 0.23 O ATOM 1306 CB VAL B 27 4.069 6.265 3.335 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.828 6.026 2.040 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.127 7.448 3.188 1.00 0.21 C ATOM 0 H VAL B 27 2.135 5.236 2.047 1.00 0.18 H new ATOM 0 HA VAL B 27 4.049 4.183 3.844 1.00 0.20 H new ATOM 0 HB VAL B 27 4.783 6.507 4.122 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.353 6.937 1.752 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.549 5.222 2.184 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.127 5.748 1.253 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.693 8.329 2.885 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.375 7.222 2.432 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.636 7.643 4.142 1.00 0.21 H new ATOM 1312 N ASN B 28 1.392 5.636 5.108 1.00 0.25 N ATOM 1313 CA ASN B 28 0.612 5.782 6.336 1.00 0.32 C ATOM 1314 C ASN B 28 0.445 4.431 7.012 1.00 0.27 C ATOM 1315 O ASN B 28 0.591 4.308 8.228 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.761 6.394 6.035 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.686 6.399 7.241 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -2.460 5.463 7.452 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -1.615 7.452 8.041 1.00 0.86 N ATOM 0 H ASN B 28 0.891 5.896 4.258 1.00 0.25 H new ATOM 0 HA ASN B 28 1.148 6.452 7.008 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.627 7.417 5.682 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.232 5.836 5.225 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.214 7.508 8.865 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -0.962 8.207 7.833 1.00 0.86 H new ATOM 1326 N TYR B 29 0.155 3.416 6.208 1.00 0.25 N ATOM 1327 CA TYR B 29 0.005 2.058 6.706 1.00 0.24 C ATOM 1328 C TYR B 29 1.281 1.592 7.398 1.00 0.18 C ATOM 1329 O TYR B 29 1.245 1.161 8.552 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.350 1.108 5.559 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.370 -0.347 5.963 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.272 -0.811 6.911 1.00 1.23 C ATOM 1333 CD2 TYR B 29 0.523 -1.253 5.409 1.00 1.20 C ATOM 1334 CE1 TYR B 29 -1.285 -2.137 7.293 1.00 1.25 C ATOM 1335 CE2 TYR B 29 0.517 -2.581 5.785 1.00 1.22 C ATOM 1336 CZ TYR B 29 -0.388 -3.017 6.728 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.397 -4.338 7.106 1.00 0.49 O ATOM 0 H TYR B 29 0.019 3.511 5.202 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.805 2.049 7.435 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.328 1.380 5.163 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.369 1.242 4.751 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -1.975 -0.123 7.357 1.00 1.23 H new ATOM 0 HD2 TYR B 29 1.235 -0.913 4.671 1.00 1.20 H new ATOM 0 HE1 TYR B 29 -1.994 -2.483 8.030 1.00 1.25 H new ATOM 0 HE2 TYR B 29 1.217 -3.274 5.343 1.00 1.22 H new ATOM 0 HH TYR B 29 -0.914 -4.438 7.932 1.00 0.49 H new ATOM 1347 N PHE B 30 2.406 1.691 6.695 1.00 0.16 N ATOM 1348 CA PHE B 30 3.691 1.270 7.245 1.00 0.16 C ATOM 1349 C PHE B 30 4.040 2.081 8.486 1.00 0.18 C ATOM 1350 O PHE B 30 4.507 1.530 9.488 1.00 0.21 O ATOM 1351 CB PHE B 30 4.804 1.419 6.208 1.00 0.19 C ATOM 1352 CG PHE B 30 4.678 0.502 5.023 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.348 -0.833 5.186 1.00 1.17 C ATOM 1354 CD2 PHE B 30 4.909 0.978 3.743 1.00 1.20 C ATOM 1355 CE1 PHE B 30 4.249 -1.675 4.095 1.00 1.16 C ATOM 1356 CE2 PHE B 30 4.810 0.141 2.649 1.00 1.22 C ATOM 1357 CZ PHE B 30 4.480 -1.187 2.825 1.00 0.25 C ATOM 0 H PHE B 30 2.454 2.059 5.745 1.00 0.16 H new ATOM 0 HA PHE B 30 3.603 0.219 7.520 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.818 2.450 5.854 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.763 1.236 6.693 1.00 0.19 H new ATOM 0 HD1 PHE B 30 4.166 -1.221 6.177 1.00 1.17 H new ATOM 0 HD2 PHE B 30 5.170 2.016 3.599 1.00 1.20 H new ATOM 0 HE1 PHE B 30 3.991 -2.714 4.236 1.00 1.16 H new ATOM 0 HE2 PHE B 30 4.991 0.526 1.656 1.00 1.22 H new ATOM 0 HZ PHE B 30 4.403 -1.843 1.971 1.00 0.25 H new ATOM 1367 N SER B 31 3.801 3.385 8.418 1.00 0.21 N ATOM 1368 CA SER B 31 4.064 4.273 9.538 1.00 0.26 C ATOM 1369 C SER B 31 3.226 3.868 10.749 1.00 0.25 C ATOM 1370 O SER B 31 3.711 3.878 11.878 1.00 0.27 O ATOM 1371 CB SER B 31 3.769 5.725 9.146 1.00 0.35 C ATOM 1372 OG SER B 31 4.071 6.620 10.204 1.00 1.15 O ATOM 0 H SER B 31 3.423 3.851 7.593 1.00 0.21 H new ATOM 0 HA SER B 31 5.118 4.192 9.805 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.353 5.991 8.265 1.00 0.35 H new ATOM 0 HB3 SER B 31 2.718 5.823 8.874 1.00 0.35 H new ATOM 0 HG SER B 31 3.874 7.538 9.923 1.00 1.15 H new ATOM 1378 N SER B 32 1.979 3.483 10.508 1.00 0.27 N ATOM 1379 CA SER B 32 1.087 3.091 11.586 1.00 0.30 C ATOM 1380 C SER B 32 1.467 1.712 12.135 1.00 0.28 C ATOM 1381 O SER B 32 1.129 1.374 13.272 1.00 0.36 O ATOM 1382 CB SER B 32 -0.367 3.099 11.109 1.00 0.40 C ATOM 1383 OG SER B 32 -1.263 2.985 12.203 1.00 0.99 O ATOM 0 H SER B 32 1.565 3.435 9.577 1.00 0.27 H new ATOM 0 HA SER B 32 1.189 3.817 12.393 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.569 4.021 10.564 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.530 2.275 10.414 1.00 0.40 H new ATOM 0 HG SER B 32 -0.998 3.610 12.909 1.00 0.99 H new ATOM 1389 N ILE B 33 2.174 0.917 11.336 1.00 0.24 N ATOM 1390 CA ILE B 33 2.659 -0.381 11.798 1.00 0.27 C ATOM 1391 C ILE B 33 3.727 -0.188 12.868 1.00 0.26 C ATOM 1392 O ILE B 33 3.635 -0.747 13.962 1.00 0.32 O ATOM 1393 CB ILE B 33 3.251 -1.235 10.653 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.188 -1.564 9.605 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.852 -2.521 11.205 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.709 -2.423 8.472 1.00 0.34 C ATOM 0 H ILE B 33 2.422 1.146 10.374 1.00 0.24 H new ATOM 0 HA ILE B 33 1.798 -0.911 12.204 1.00 0.27 H new ATOM 0 HB ILE B 33 4.037 -0.652 10.173 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.358 -2.078 10.089 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.792 -0.635 9.195 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.264 -3.111 10.386 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.645 -2.278 11.912 1.00 0.44 H new ATOM 0 HG23 ILE B 33 3.077 -3.096 11.712 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.904 -2.619 7.764 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.520 -1.902 7.964 1.00 0.34 H new ATOM 0 HD13 ILE B 33 3.079 -3.367 8.872 1.00 0.34 H new ATOM 1403 N VAL B 34 4.733 0.619 12.550 1.00 0.25 N ATOM 1404 CA VAL B 34 5.819 0.890 13.484 1.00 0.31 C ATOM 1405 C VAL B 34 5.331 1.787 14.621 1.00 0.37 C ATOM 1406 O VAL B 34 5.867 1.761 15.729 1.00 0.47 O ATOM 1407 CB VAL B 34 7.036 1.536 12.775 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.543 0.634 11.660 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.692 2.911 12.225 1.00 0.33 C ATOM 0 H VAL B 34 4.819 1.097 11.653 1.00 0.25 H new ATOM 0 HA VAL B 34 6.144 -0.065 13.897 1.00 0.31 H new ATOM 0 HB VAL B 34 7.825 1.659 13.517 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.398 1.103 11.173 1.00 0.35 H new ATOM 0 HG12 VAL B 34 7.845 -0.326 12.078 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.750 0.478 10.929 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.568 3.336 11.734 1.00 0.33 H new ATOM 0 HG22 VAL B 34 5.879 2.822 11.504 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.382 3.563 13.042 1.00 0.33 H new ATOM 1413 N GLU B 35 4.288 2.558 14.328 1.00 0.35 N ATOM 1414 CA GLU B 35 3.640 3.425 15.305 1.00 0.46 C ATOM 1415 C GLU B 35 3.232 2.642 16.549 1.00 0.51 C ATOM 1416 O GLU B 35 3.562 3.020 17.672 1.00 0.62 O ATOM 1417 CB GLU B 35 2.416 4.070 14.652 1.00 0.51 C ATOM 1418 CG GLU B 35 1.545 4.892 15.582 1.00 0.70 C ATOM 1419 CD GLU B 35 0.406 5.567 14.840 1.00 1.49 C ATOM 1420 OE1 GLU B 35 -0.461 4.855 14.289 1.00 2.22 O ATOM 1421 OE2 GLU B 35 0.382 6.816 14.797 1.00 2.19 O ATOM 0 H GLU B 35 3.867 2.599 13.400 1.00 0.35 H new ATOM 0 HA GLU B 35 4.341 4.197 15.622 1.00 0.46 H new ATOM 0 HB2 GLU B 35 2.754 4.710 13.837 1.00 0.51 H new ATOM 0 HB3 GLU B 35 1.805 3.284 14.208 1.00 0.51 H new ATOM 0 HG2 GLU B 35 1.139 4.249 16.363 1.00 0.70 H new ATOM 0 HG3 GLU B 35 2.155 5.648 16.077 1.00 0.70 H new ATOM 1428 N LYS B 36 2.536 1.533 16.341 1.00 0.47 N ATOM 1429 CA LYS B 36 2.064 0.712 17.447 1.00 0.55 C ATOM 1430 C LYS B 36 2.898 -0.559 17.596 1.00 0.51 C ATOM 1431 O LYS B 36 2.425 -1.569 18.119 1.00 0.61 O ATOM 1432 CB LYS B 36 0.585 0.362 17.259 1.00 0.67 C ATOM 1433 CG LYS B 36 0.248 -0.134 15.863 1.00 0.71 C ATOM 1434 CD LYS B 36 -1.210 -0.549 15.751 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.607 -0.815 14.306 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.537 0.416 13.471 1.00 2.08 N ATOM 0 H LYS B 36 2.286 1.181 15.417 1.00 0.47 H new ATOM 0 HA LYS B 36 2.176 1.292 18.363 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.307 -0.403 17.984 1.00 0.67 H new ATOM 0 HB3 LYS B 36 -0.018 1.243 17.478 1.00 0.67 H new ATOM 0 HG2 LYS B 36 0.460 0.651 15.137 1.00 0.71 H new ATOM 0 HG3 LYS B 36 0.888 -0.981 15.613 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -1.381 -1.446 16.347 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -1.845 0.234 16.165 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -0.951 -1.576 13.884 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -2.620 -1.216 14.277 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -2.018 0.248 12.564 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -2.003 1.201 13.970 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -0.541 0.660 13.295 1.00 2.08 H new ATOM 1450 N LYS B 37 4.151 -0.468 17.123 1.00 0.48 N ATOM 1451 CA LYS B 37 5.122 -1.575 17.123 1.00 0.55 C ATOM 1452 C LYS B 37 4.484 -2.918 16.766 1.00 0.59 C ATOM 1453 O LYS B 37 4.500 -3.863 17.550 1.00 0.76 O ATOM 1454 CB LYS B 37 5.898 -1.661 18.454 1.00 0.72 C ATOM 1455 CG LYS B 37 5.038 -1.707 19.709 1.00 1.19 C ATOM 1456 CD LYS B 37 5.894 -1.833 20.957 1.00 1.42 C ATOM 1457 CE LYS B 37 5.071 -1.678 22.226 1.00 1.99 C ATOM 1458 NZ LYS B 37 4.519 -0.304 22.363 1.00 2.60 N ATOM 0 H LYS B 37 4.525 0.392 16.722 1.00 0.48 H new ATOM 0 HA LYS B 37 5.840 -1.347 16.336 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.526 -2.551 18.432 1.00 0.72 H new ATOM 0 HB3 LYS B 37 6.565 -0.802 18.522 1.00 0.72 H new ATOM 0 HG2 LYS B 37 4.431 -0.804 19.771 1.00 1.19 H new ATOM 0 HG3 LYS B 37 4.349 -2.550 19.650 1.00 1.19 H new ATOM 0 HD2 LYS B 37 6.389 -2.804 20.961 1.00 1.42 H new ATOM 0 HD3 LYS B 37 6.678 -1.076 20.938 1.00 1.42 H new ATOM 0 HE2 LYS B 37 4.253 -2.399 22.219 1.00 1.99 H new ATOM 0 HE3 LYS B 37 5.692 -1.908 23.092 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 4.203 -0.153 23.342 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 5.255 0.391 22.126 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 3.712 -0.188 21.717 1.00 2.60 H new ATOM 1472 N GLU B 38 3.949 -2.995 15.557 1.00 0.54 N ATOM 1473 CA GLU B 38 3.309 -4.208 15.071 1.00 0.69 C ATOM 1474 C GLU B 38 4.280 -5.004 14.222 1.00 0.69 C ATOM 1475 O GLU B 38 3.964 -6.088 13.738 1.00 1.03 O ATOM 1476 CB GLU B 38 2.064 -3.862 14.256 1.00 0.79 C ATOM 1477 CG GLU B 38 0.821 -3.655 15.099 1.00 1.35 C ATOM 1478 CD GLU B 38 0.332 -4.943 15.722 1.00 1.41 C ATOM 1479 OE1 GLU B 38 -0.283 -5.756 15.004 1.00 1.86 O ATOM 1480 OE2 GLU B 38 0.571 -5.155 16.928 1.00 2.11 O ATOM 0 H GLU B 38 3.946 -2.224 14.889 1.00 0.54 H new ATOM 0 HA GLU B 38 3.009 -4.811 15.928 1.00 0.69 H new ATOM 0 HB2 GLU B 38 2.257 -2.956 13.681 1.00 0.79 H new ATOM 0 HB3 GLU B 38 1.877 -4.661 13.539 1.00 0.79 H new ATOM 0 HG2 GLU B 38 1.034 -2.931 15.885 1.00 1.35 H new ATOM 0 HG3 GLU B 38 0.031 -3.230 14.480 1.00 1.35 H new ATOM 1487 N ILE B 39 5.458 -4.442 14.036 1.00 0.42 N ATOM 1488 CA ILE B 39 6.501 -5.092 13.266 1.00 0.43 C ATOM 1489 C ILE B 39 7.813 -5.049 14.047 1.00 0.48 C ATOM 1490 O ILE B 39 7.996 -4.187 14.909 1.00 0.52 O ATOM 1491 CB ILE B 39 6.658 -4.417 11.884 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.380 -5.344 10.905 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.396 -3.088 12.007 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.330 -4.863 9.473 1.00 0.47 C ATOM 0 H ILE B 39 5.718 -3.530 14.411 1.00 0.42 H new ATOM 0 HA ILE B 39 6.226 -6.133 13.097 1.00 0.43 H new ATOM 0 HB ILE B 39 5.660 -4.217 11.493 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.422 -5.443 11.211 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.935 -6.338 10.962 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.493 -2.633 11.021 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.836 -2.420 12.661 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.387 -3.260 12.427 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.861 -5.568 8.834 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.292 -4.791 9.149 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.801 -3.883 9.402 1.00 0.47 H new ATOM 1501 N SER B 40 8.705 -5.989 13.767 1.00 0.55 N ATOM 1502 CA SER B 40 9.959 -6.084 14.495 1.00 0.62 C ATOM 1503 C SER B 40 10.986 -5.088 13.952 1.00 0.53 C ATOM 1504 O SER B 40 10.783 -4.490 12.893 1.00 0.48 O ATOM 1505 CB SER B 40 10.500 -7.516 14.426 1.00 0.77 C ATOM 1506 OG SER B 40 11.579 -7.709 15.329 1.00 1.82 O ATOM 0 H SER B 40 8.582 -6.695 13.041 1.00 0.55 H new ATOM 0 HA SER B 40 9.772 -5.831 15.539 1.00 0.62 H new ATOM 0 HB2 SER B 40 9.700 -8.220 14.657 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.831 -7.732 13.410 1.00 0.77 H new ATOM 0 HG SER B 40 11.560 -7.010 16.015 1.00 1.82 H new ATOM 1512 N GLU B 41 12.083 -4.934 14.688 1.00 0.59 N ATOM 1513 CA GLU B 41 13.106 -3.927 14.409 1.00 0.60 C ATOM 1514 C GLU B 41 13.579 -3.973 12.960 1.00 0.49 C ATOM 1515 O GLU B 41 13.492 -2.977 12.246 1.00 0.46 O ATOM 1516 CB GLU B 41 14.308 -4.109 15.347 1.00 0.78 C ATOM 1517 CG GLU B 41 13.951 -4.187 16.828 1.00 1.08 C ATOM 1518 CD GLU B 41 13.433 -5.552 17.243 1.00 1.44 C ATOM 1519 OE1 GLU B 41 14.254 -6.422 17.591 1.00 1.99 O ATOM 1520 OE2 GLU B 41 12.200 -5.767 17.203 1.00 2.19 O ATOM 0 H GLU B 41 12.290 -5.510 15.504 1.00 0.59 H new ATOM 0 HA GLU B 41 12.648 -2.953 14.582 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.837 -5.019 15.066 1.00 0.78 H new ATOM 0 HB3 GLU B 41 14.999 -3.279 15.196 1.00 0.78 H new ATOM 0 HG2 GLU B 41 14.832 -3.943 17.422 1.00 1.08 H new ATOM 0 HG3 GLU B 41 13.196 -3.434 17.054 1.00 1.08 H new ATOM 1527 N ASP B 42 14.070 -5.129 12.525 1.00 0.52 N ATOM 1528 CA ASP B 42 14.601 -5.271 11.167 1.00 0.51 C ATOM 1529 C ASP B 42 13.516 -5.031 10.123 1.00 0.43 C ATOM 1530 O ASP B 42 13.779 -4.472 9.057 1.00 0.47 O ATOM 1531 CB ASP B 42 15.224 -6.653 10.963 1.00 0.61 C ATOM 1532 CG ASP B 42 15.748 -6.843 9.554 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.795 -6.250 9.215 1.00 2.20 O ATOM 1534 OD2 ASP B 42 15.118 -7.590 8.777 1.00 2.29 O ATOM 0 H ASP B 42 14.113 -5.979 13.087 1.00 0.52 H new ATOM 0 HA ASP B 42 15.377 -4.516 11.040 1.00 0.51 H new ATOM 0 HB2 ASP B 42 16.039 -6.791 11.673 1.00 0.61 H new ATOM 0 HB3 ASP B 42 14.480 -7.420 11.179 1.00 0.61 H new ATOM 1539 N GLY B 43 12.295 -5.444 10.441 1.00 0.39 N ATOM 1540 CA GLY B 43 11.177 -5.208 9.548 1.00 0.37 C ATOM 1541 C GLY B 43 10.887 -3.730 9.394 1.00 0.34 C ATOM 1542 O GLY B 43 10.615 -3.252 8.296 1.00 0.34 O ATOM 0 H GLY B 43 12.059 -5.938 11.302 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.394 -5.640 8.571 1.00 0.37 H new ATOM 0 HA3 GLY B 43 10.291 -5.715 9.931 1.00 0.37 H new ATOM 1546 N ALA B 44 10.961 -3.004 10.499 1.00 0.33 N ATOM 1547 CA ALA B 44 10.770 -1.562 10.483 1.00 0.33 C ATOM 1548 C ALA B 44 11.947 -0.879 9.799 1.00 0.32 C ATOM 1549 O ALA B 44 11.777 0.086 9.057 1.00 0.31 O ATOM 1550 CB ALA B 44 10.607 -1.039 11.900 1.00 0.38 C ATOM 0 H ALA B 44 11.153 -3.392 11.422 1.00 0.33 H new ATOM 0 HA ALA B 44 9.864 -1.336 9.921 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.465 0.041 11.875 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.739 -1.509 12.364 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.500 -1.274 12.480 1.00 0.38 H new ATOM 1556 N ASP B 45 13.139 -1.406 10.055 1.00 0.36 N ATOM 1557 CA ASP B 45 14.371 -0.883 9.477 1.00 0.38 C ATOM 1558 C ASP B 45 14.311 -0.880 7.955 1.00 0.36 C ATOM 1559 O ASP B 45 14.651 0.114 7.312 1.00 0.37 O ATOM 1560 CB ASP B 45 15.564 -1.717 9.956 1.00 0.48 C ATOM 1561 CG ASP B 45 16.866 -1.324 9.290 1.00 1.11 C ATOM 1562 OD1 ASP B 45 17.425 -0.263 9.644 1.00 1.81 O ATOM 1563 OD2 ASP B 45 17.346 -2.085 8.420 1.00 1.84 O ATOM 0 H ASP B 45 13.278 -2.208 10.669 1.00 0.36 H new ATOM 0 HA ASP B 45 14.492 0.148 9.809 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.667 -1.607 11.036 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.366 -2.771 9.760 1.00 0.48 H new ATOM 1568 N SER B 46 13.859 -1.983 7.378 1.00 0.37 N ATOM 1569 CA SER B 46 13.751 -2.077 5.935 1.00 0.40 C ATOM 1570 C SER B 46 12.622 -1.182 5.422 1.00 0.36 C ATOM 1571 O SER B 46 12.732 -0.581 4.354 1.00 0.38 O ATOM 1572 CB SER B 46 13.542 -3.532 5.508 1.00 0.50 C ATOM 1573 OG SER B 46 12.461 -4.123 6.205 1.00 0.98 O ATOM 0 H SER B 46 13.564 -2.818 7.884 1.00 0.37 H new ATOM 0 HA SER B 46 14.683 -1.727 5.492 1.00 0.40 H new ATOM 0 HB2 SER B 46 13.353 -3.575 4.435 1.00 0.50 H new ATOM 0 HB3 SER B 46 14.452 -4.102 5.694 1.00 0.50 H new ATOM 0 HG SER B 46 11.644 -4.045 5.669 1.00 0.98 H new ATOM 1579 N LEU B 47 11.546 -1.072 6.198 1.00 0.32 N ATOM 1580 CA LEU B 47 10.443 -0.187 5.839 1.00 0.30 C ATOM 1581 C LEU B 47 10.896 1.269 5.838 1.00 0.27 C ATOM 1582 O LEU B 47 10.320 2.101 5.145 1.00 0.28 O ATOM 1583 CB LEU B 47 9.256 -0.358 6.793 1.00 0.30 C ATOM 1584 CG LEU B 47 8.528 -1.701 6.710 1.00 0.35 C ATOM 1585 CD1 LEU B 47 7.359 -1.729 7.683 1.00 0.39 C ATOM 1586 CD2 LEU B 47 8.043 -1.968 5.291 1.00 0.41 C ATOM 0 H LEU B 47 11.416 -1.581 7.072 1.00 0.32 H new ATOM 0 HA LEU B 47 10.121 -0.461 4.834 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.611 -0.220 7.814 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.537 0.437 6.596 1.00 0.30 H new ATOM 0 HG LEU B 47 9.231 -2.488 6.983 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.850 -2.690 7.613 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.728 -1.587 8.699 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.660 -0.930 7.435 1.00 0.39 H new ATOM 0 HD21 LEU B 47 7.529 -2.928 5.257 1.00 0.41 H new ATOM 0 HD22 LEU B 47 7.357 -1.178 4.986 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.896 -1.989 4.613 1.00 0.41 H new ATOM 1598 N ASN B 48 11.930 1.570 6.612 1.00 0.26 N ATOM 1599 CA ASN B 48 12.469 2.923 6.678 1.00 0.26 C ATOM 1600 C ASN B 48 13.104 3.326 5.352 1.00 0.27 C ATOM 1601 O ASN B 48 12.788 4.383 4.807 1.00 0.32 O ATOM 1602 CB ASN B 48 13.490 3.048 7.812 1.00 0.28 C ATOM 1603 CG ASN B 48 12.853 3.042 9.192 1.00 0.33 C ATOM 1604 OD1 ASN B 48 11.689 3.663 9.318 1.00 0.48 O flip ATOM 1605 ND2 ASN B 48 13.420 2.511 10.148 1.00 0.40 N flip ATOM 0 H ASN B 48 12.413 0.895 7.204 1.00 0.26 H new ATOM 0 HA ASN B 48 11.639 3.600 6.881 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.202 2.226 7.744 1.00 0.28 H new ATOM 0 HB3 ASN B 48 14.055 3.971 7.684 1.00 0.28 H new ATOM 0 HD21 ASN B 48 14.316 2.042 10.013 1.00 0.40 H new ATOM 0 HD22 ASN B 48 12.994 2.541 11.074 1.00 0.40 H new ATOM 1612 N VAL B 49 13.991 2.486 4.823 1.00 0.27 N ATOM 1613 CA VAL B 49 14.611 2.773 3.529 1.00 0.29 C ATOM 1614 C VAL B 49 13.555 2.756 2.423 1.00 0.29 C ATOM 1615 O VAL B 49 13.621 3.539 1.472 1.00 0.32 O ATOM 1616 CB VAL B 49 15.766 1.791 3.188 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.275 0.358 3.069 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.475 2.216 1.911 1.00 0.36 C ATOM 0 H VAL B 49 14.293 1.615 5.260 1.00 0.27 H new ATOM 0 HA VAL B 49 15.051 3.768 3.598 1.00 0.29 H new ATOM 0 HB VAL B 49 16.476 1.829 4.014 1.00 0.32 H new ATOM 0 HG11 VAL B 49 16.114 -0.295 2.830 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.830 0.046 4.014 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.528 0.294 2.278 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.280 1.515 1.691 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.764 2.223 1.085 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.890 3.216 2.041 1.00 0.36 H new ATOM 1622 N ALA B 50 12.564 1.886 2.577 1.00 0.30 N ATOM 1623 CA ALA B 50 11.457 1.812 1.637 1.00 0.34 C ATOM 1624 C ALA B 50 10.589 3.064 1.727 1.00 0.33 C ATOM 1625 O ALA B 50 9.973 3.474 0.748 1.00 0.37 O ATOM 1626 CB ALA B 50 10.623 0.569 1.899 1.00 0.37 C ATOM 0 H ALA B 50 12.506 1.220 3.348 1.00 0.30 H new ATOM 0 HA ALA B 50 11.866 1.751 0.629 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.798 0.528 1.188 1.00 0.37 H new ATOM 0 HB2 ALA B 50 11.246 -0.318 1.784 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.226 0.605 2.913 1.00 0.37 H new ATOM 1632 N MET B 51 10.562 3.673 2.904 1.00 0.34 N ATOM 1633 CA MET B 51 9.751 4.860 3.140 1.00 0.39 C ATOM 1634 C MET B 51 10.267 6.027 2.313 1.00 0.31 C ATOM 1635 O MET B 51 9.499 6.717 1.637 1.00 0.30 O ATOM 1636 CB MET B 51 9.773 5.224 4.624 1.00 0.52 C ATOM 1637 CG MET B 51 8.566 6.027 5.071 1.00 0.62 C ATOM 1638 SD MET B 51 7.019 5.186 4.698 1.00 0.65 S ATOM 1639 CE MET B 51 7.386 3.536 5.289 1.00 0.41 C ATOM 0 H MET B 51 11.096 3.362 3.716 1.00 0.34 H new ATOM 0 HA MET B 51 8.725 4.645 2.841 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.828 4.309 5.213 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.677 5.795 4.836 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.630 6.210 6.144 1.00 0.62 H new ATOM 0 HG3 MET B 51 8.577 7.000 4.581 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.477 2.935 5.277 1.00 0.41 H new ATOM 0 HE2 MET B 51 8.134 3.076 4.643 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.771 3.591 6.307 1.00 0.41 H new ATOM 1649 N ASP B 52 11.575 6.240 2.373 1.00 0.31 N ATOM 1650 CA ASP B 52 12.222 7.268 1.569 1.00 0.32 C ATOM 1651 C ASP B 52 12.069 6.937 0.092 1.00 0.28 C ATOM 1652 O ASP B 52 11.903 7.828 -0.740 1.00 0.30 O ATOM 1653 CB ASP B 52 13.705 7.393 1.936 1.00 0.42 C ATOM 1654 CG ASP B 52 13.917 7.954 3.330 1.00 1.16 C ATOM 1655 OD1 ASP B 52 13.660 7.231 4.312 1.00 1.99 O ATOM 1656 OD2 ASP B 52 14.339 9.121 3.452 1.00 1.84 O ATOM 0 H ASP B 52 12.210 5.713 2.972 1.00 0.31 H new ATOM 0 HA ASP B 52 11.741 8.225 1.773 1.00 0.32 H new ATOM 0 HB2 ASP B 52 14.176 6.412 1.868 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.202 8.037 1.210 1.00 0.42 H new ATOM 1661 N CYS B 53 12.107 5.645 -0.216 1.00 0.27 N ATOM 1662 CA CYS B 53 11.883 5.161 -1.571 1.00 0.27 C ATOM 1663 C CYS B 53 10.518 5.595 -2.094 1.00 0.28 C ATOM 1664 O CYS B 53 10.433 6.313 -3.087 1.00 0.36 O ATOM 1665 CB CYS B 53 11.992 3.635 -1.610 1.00 0.36 C ATOM 1666 SG CYS B 53 11.183 2.871 -3.034 1.00 1.05 S ATOM 0 H CYS B 53 12.293 4.908 0.464 1.00 0.27 H new ATOM 0 HA CYS B 53 12.649 5.595 -2.213 1.00 0.27 H new ATOM 0 HB2 CYS B 53 13.046 3.357 -1.613 1.00 0.36 H new ATOM 0 HB3 CYS B 53 11.557 3.227 -0.697 1.00 0.36 H new ATOM 0 HG CYS B 53 10.583 1.780 -2.659 1.00 1.05 H new ATOM 1672 N ILE B 54 9.455 5.164 -1.414 1.00 0.26 N ATOM 1673 CA ILE B 54 8.088 5.463 -1.836 1.00 0.29 C ATOM 1674 C ILE B 54 7.889 6.968 -1.995 1.00 0.30 C ATOM 1675 O ILE B 54 7.334 7.432 -2.991 1.00 0.33 O ATOM 1676 CB ILE B 54 7.049 4.918 -0.826 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.258 3.417 -0.596 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.634 5.180 -1.329 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.454 2.859 0.563 1.00 0.33 C ATOM 0 H ILE B 54 9.516 4.604 -0.564 1.00 0.26 H new ATOM 0 HA ILE B 54 7.935 4.970 -2.796 1.00 0.29 H new ATOM 0 HB ILE B 54 7.187 5.437 0.123 1.00 0.29 H new ATOM 0 HG12 ILE B 54 6.990 2.879 -1.505 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.317 3.230 -0.415 1.00 0.31 H new ATOM 0 HG21 ILE B 54 4.914 4.791 -0.609 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.484 6.253 -1.450 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.491 4.683 -2.289 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.654 1.792 0.664 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.738 3.370 1.483 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.391 3.013 0.376 1.00 0.33 H new ATOM 1686 N SER B 55 8.377 7.722 -1.022 1.00 0.30 N ATOM 1687 CA SER B 55 8.252 9.171 -1.042 1.00 0.36 C ATOM 1688 C SER B 55 8.954 9.767 -2.266 1.00 0.38 C ATOM 1689 O SER B 55 8.345 10.500 -3.051 1.00 0.41 O ATOM 1690 CB SER B 55 8.836 9.757 0.246 1.00 0.40 C ATOM 1691 OG SER B 55 8.251 9.155 1.389 1.00 0.80 O ATOM 0 H SER B 55 8.865 7.353 -0.206 1.00 0.30 H new ATOM 0 HA SER B 55 7.194 9.427 -1.106 1.00 0.36 H new ATOM 0 HB2 SER B 55 9.915 9.605 0.262 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.666 10.833 0.270 1.00 0.40 H new ATOM 0 HG SER B 55 8.717 8.317 1.592 1.00 0.80 H new ATOM 1697 N GLU B 56 10.223 9.416 -2.443 1.00 0.39 N ATOM 1698 CA GLU B 56 11.035 9.966 -3.523 1.00 0.48 C ATOM 1699 C GLU B 56 10.526 9.518 -4.894 1.00 0.42 C ATOM 1700 O GLU B 56 10.402 10.326 -5.812 1.00 0.45 O ATOM 1701 CB GLU B 56 12.493 9.539 -3.345 1.00 0.59 C ATOM 1702 CG GLU B 56 13.432 10.107 -4.394 1.00 0.82 C ATOM 1703 CD GLU B 56 14.845 9.593 -4.236 1.00 1.81 C ATOM 1704 OE1 GLU B 56 15.155 8.523 -4.793 1.00 2.38 O ATOM 1705 OE2 GLU B 56 15.654 10.251 -3.551 1.00 2.66 O ATOM 0 H GLU B 56 10.714 8.749 -1.848 1.00 0.39 H new ATOM 0 HA GLU B 56 10.962 11.053 -3.478 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.835 9.851 -2.358 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.549 8.451 -3.372 1.00 0.59 H new ATOM 0 HG2 GLU B 56 13.063 9.850 -5.387 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.434 11.195 -4.327 1.00 0.82 H new ATOM 1712 N ALA B 57 10.222 8.230 -5.018 1.00 0.38 N ATOM 1713 CA ALA B 57 9.808 7.651 -6.292 1.00 0.39 C ATOM 1714 C ALA B 57 8.499 8.258 -6.787 1.00 0.33 C ATOM 1715 O ALA B 57 8.342 8.525 -7.980 1.00 0.38 O ATOM 1716 CB ALA B 57 9.678 6.140 -6.167 1.00 0.41 C ATOM 0 H ALA B 57 10.255 7.563 -4.247 1.00 0.38 H new ATOM 0 HA ALA B 57 10.578 7.882 -7.028 1.00 0.39 H new ATOM 0 HB1 ALA B 57 9.369 5.721 -7.124 1.00 0.41 H new ATOM 0 HB2 ALA B 57 10.639 5.715 -5.878 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.933 5.900 -5.408 1.00 0.41 H new ATOM 1722 N PHE B 58 7.568 8.482 -5.869 1.00 0.28 N ATOM 1723 CA PHE B 58 6.270 9.046 -6.223 1.00 0.27 C ATOM 1724 C PHE B 58 6.326 10.567 -6.307 1.00 0.30 C ATOM 1725 O PHE B 58 5.471 11.196 -6.932 1.00 0.38 O ATOM 1726 CB PHE B 58 5.205 8.609 -5.220 1.00 0.27 C ATOM 1727 CG PHE B 58 4.733 7.198 -5.415 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.500 6.122 -4.998 1.00 1.24 C ATOM 1729 CD2 PHE B 58 3.513 6.949 -6.016 1.00 1.18 C ATOM 1730 CE1 PHE B 58 5.057 4.827 -5.178 1.00 1.21 C ATOM 1731 CE2 PHE B 58 3.064 5.658 -6.198 1.00 1.22 C ATOM 1732 CZ PHE B 58 3.836 4.595 -5.779 1.00 0.29 C ATOM 0 H PHE B 58 7.686 8.283 -4.876 1.00 0.28 H new ATOM 0 HA PHE B 58 6.003 8.666 -7.209 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.605 8.712 -4.211 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.351 9.282 -5.295 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.456 6.299 -4.527 1.00 1.24 H new ATOM 0 HD2 PHE B 58 2.904 7.777 -6.347 1.00 1.18 H new ATOM 0 HE1 PHE B 58 5.665 3.997 -4.849 1.00 1.21 H new ATOM 0 HE2 PHE B 58 2.108 5.480 -6.668 1.00 1.22 H new ATOM 0 HZ PHE B 58 3.486 3.583 -5.921 1.00 0.29 H new ATOM 1742 N GLY B 59 7.332 11.152 -5.671 1.00 0.33 N ATOM 1743 CA GLY B 59 7.546 12.581 -5.780 1.00 0.38 C ATOM 1744 C GLY B 59 6.832 13.376 -4.705 1.00 0.37 C ATOM 1745 O GLY B 59 6.331 14.471 -4.969 1.00 0.42 O ATOM 0 H GLY B 59 8.004 10.662 -5.081 1.00 0.33 H new ATOM 0 HA2 GLY B 59 8.615 12.787 -5.725 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.206 12.919 -6.759 1.00 0.38 H new ATOM 1749 N PHE B 60 6.788 12.840 -3.495 1.00 0.35 N ATOM 1750 CA PHE B 60 6.188 13.554 -2.376 1.00 0.39 C ATOM 1751 C PHE B 60 7.069 13.421 -1.146 1.00 0.39 C ATOM 1752 O PHE B 60 7.897 12.515 -1.058 1.00 0.42 O ATOM 1753 CB PHE B 60 4.770 13.039 -2.078 1.00 0.40 C ATOM 1754 CG PHE B 60 4.711 11.661 -1.471 1.00 0.30 C ATOM 1755 CD1 PHE B 60 4.706 10.532 -2.272 1.00 1.21 C ATOM 1756 CD2 PHE B 60 4.645 11.500 -0.094 1.00 1.19 C ATOM 1757 CE1 PHE B 60 4.640 9.269 -1.712 1.00 1.19 C ATOM 1758 CE2 PHE B 60 4.581 10.240 0.469 1.00 1.23 C ATOM 1759 CZ PHE B 60 4.578 9.124 -0.342 1.00 0.33 C ATOM 0 H PHE B 60 7.158 11.918 -3.262 1.00 0.35 H new ATOM 0 HA PHE B 60 6.107 14.607 -2.648 1.00 0.39 H new ATOM 0 HB2 PHE B 60 4.279 13.739 -1.402 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.197 13.037 -3.006 1.00 0.40 H new ATOM 0 HD1 PHE B 60 4.754 10.638 -3.346 1.00 1.21 H new ATOM 0 HD2 PHE B 60 4.644 12.370 0.545 1.00 1.19 H new ATOM 0 HE1 PHE B 60 4.637 8.396 -2.348 1.00 1.19 H new ATOM 0 HE2 PHE B 60 4.533 10.129 1.542 1.00 1.23 H new ATOM 0 HZ PHE B 60 4.527 8.138 0.096 1.00 0.33 H new ATOM 1769 N GLU B 61 6.905 14.334 -0.210 1.00 0.47 N ATOM 1770 CA GLU B 61 7.680 14.312 1.016 1.00 0.55 C ATOM 1771 C GLU B 61 6.949 13.522 2.091 1.00 0.50 C ATOM 1772 O GLU B 61 5.725 13.580 2.199 1.00 0.47 O ATOM 1773 CB GLU B 61 7.940 15.739 1.500 1.00 0.70 C ATOM 1774 CG GLU B 61 8.727 16.585 0.514 1.00 0.80 C ATOM 1775 CD GLU B 61 10.086 16.000 0.198 1.00 1.48 C ATOM 1776 OE1 GLU B 61 10.980 16.063 1.066 1.00 2.33 O ATOM 1777 OE2 GLU B 61 10.275 15.493 -0.927 1.00 2.06 O ATOM 0 H GLU B 61 6.239 15.104 -0.275 1.00 0.47 H new ATOM 0 HA GLU B 61 8.635 13.827 0.815 1.00 0.55 H new ATOM 0 HB2 GLU B 61 6.985 16.225 1.700 1.00 0.70 H new ATOM 0 HB3 GLU B 61 8.482 15.700 2.445 1.00 0.70 H new ATOM 0 HG2 GLU B 61 8.156 16.686 -0.409 1.00 0.80 H new ATOM 0 HG3 GLU B 61 8.853 17.588 0.922 1.00 0.80 H new ATOM 1784 N ARG B 62 7.717 12.788 2.886 1.00 0.53 N ATOM 1785 CA ARG B 62 7.178 11.978 3.976 1.00 0.53 C ATOM 1786 C ARG B 62 6.516 12.861 5.035 1.00 0.52 C ATOM 1787 O ARG B 62 5.685 12.400 5.816 1.00 0.64 O ATOM 1788 CB ARG B 62 8.305 11.129 4.583 1.00 0.62 C ATOM 1789 CG ARG B 62 7.933 10.383 5.856 1.00 1.40 C ATOM 1790 CD ARG B 62 9.052 9.448 6.296 1.00 1.46 C ATOM 1791 NE ARG B 62 10.354 10.121 6.331 1.00 2.25 N ATOM 1792 CZ ARG B 62 11.490 9.570 5.897 1.00 2.60 C ATOM 1793 NH1 ARG B 62 11.507 8.307 5.486 1.00 2.13 N ATOM 1794 NH2 ARG B 62 12.615 10.272 5.905 1.00 3.67 N ATOM 0 H ARG B 62 8.732 12.736 2.795 1.00 0.53 H new ATOM 0 HA ARG B 62 6.409 11.313 3.584 1.00 0.53 H new ATOM 0 HB2 ARG B 62 8.635 10.405 3.838 1.00 0.62 H new ATOM 0 HB3 ARG B 62 9.155 11.778 4.795 1.00 0.62 H new ATOM 0 HG2 ARG B 62 7.720 11.098 6.650 1.00 1.40 H new ATOM 0 HG3 ARG B 62 7.021 9.810 5.691 1.00 1.40 H new ATOM 0 HD2 ARG B 62 8.823 9.051 7.285 1.00 1.46 H new ATOM 0 HD3 ARG B 62 9.102 8.598 5.615 1.00 1.46 H new ATOM 0 HE ARG B 62 10.394 11.067 6.710 1.00 2.25 H new ATOM 0 HH11 ARG B 62 10.650 7.754 5.501 1.00 2.13 H new ATOM 0 HH12 ARG B 62 12.377 7.890 5.155 1.00 2.13 H new ATOM 0 HH21 ARG B 62 12.613 11.234 6.243 1.00 3.67 H new ATOM 0 HH22 ARG B 62 13.482 9.850 5.573 1.00 3.67 H new ATOM 1808 N GLU B 63 6.876 14.136 5.044 1.00 0.57 N ATOM 1809 CA GLU B 63 6.260 15.099 5.948 1.00 0.63 C ATOM 1810 C GLU B 63 5.009 15.716 5.317 1.00 0.62 C ATOM 1811 O GLU B 63 4.312 16.510 5.947 1.00 0.74 O ATOM 1812 CB GLU B 63 7.250 16.207 6.300 1.00 0.73 C ATOM 1813 CG GLU B 63 7.701 17.017 5.096 1.00 1.69 C ATOM 1814 CD GLU B 63 8.452 18.267 5.487 1.00 2.52 C ATOM 1815 OE1 GLU B 63 7.801 19.253 5.880 1.00 3.12 O ATOM 1816 OE2 GLU B 63 9.696 18.274 5.393 1.00 3.19 O ATOM 0 H GLU B 63 7.593 14.529 4.434 1.00 0.57 H new ATOM 0 HA GLU B 63 5.972 14.569 6.856 1.00 0.63 H new ATOM 0 HB2 GLU B 63 6.791 16.876 7.028 1.00 0.73 H new ATOM 0 HB3 GLU B 63 8.123 15.765 6.779 1.00 0.73 H new ATOM 0 HG2 GLU B 63 8.337 16.398 4.464 1.00 1.69 H new ATOM 0 HG3 GLU B 63 6.830 17.292 4.500 1.00 1.69 H new ATOM 1823 N ALA B 64 4.729 15.347 4.073 1.00 0.55 N ATOM 1824 CA ALA B 64 3.621 15.938 3.332 1.00 0.59 C ATOM 1825 C ALA B 64 2.475 14.948 3.157 1.00 0.53 C ATOM 1826 O ALA B 64 1.468 15.260 2.518 1.00 0.56 O ATOM 1827 CB ALA B 64 4.100 16.432 1.976 1.00 0.66 C ATOM 0 H ALA B 64 5.254 14.641 3.556 1.00 0.55 H new ATOM 0 HA ALA B 64 3.247 16.783 3.909 1.00 0.59 H new ATOM 0 HB1 ALA B 64 3.263 16.871 1.432 1.00 0.66 H new ATOM 0 HB2 ALA B 64 4.876 17.184 2.116 1.00 0.66 H new ATOM 0 HB3 ALA B 64 4.504 15.595 1.406 1.00 0.66 H new ATOM 1833 N VAL B 65 2.628 13.762 3.736 1.00 0.50 N ATOM 1834 CA VAL B 65 1.637 12.701 3.591 1.00 0.46 C ATOM 1835 C VAL B 65 0.275 13.112 4.161 1.00 0.52 C ATOM 1836 O VAL B 65 -0.764 12.818 3.570 1.00 0.53 O ATOM 1837 CB VAL B 65 2.122 11.382 4.250 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.560 11.606 5.686 1.00 0.51 C ATOM 1839 CG2 VAL B 65 1.047 10.311 4.191 1.00 0.50 C ATOM 0 H VAL B 65 3.431 13.510 4.312 1.00 0.50 H new ATOM 0 HA VAL B 65 1.514 12.527 2.522 1.00 0.46 H new ATOM 0 HB VAL B 65 2.985 11.037 3.681 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.893 10.662 6.116 1.00 0.51 H new ATOM 0 HG12 VAL B 65 3.380 12.324 5.709 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.722 11.993 6.266 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.416 9.399 4.660 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.159 10.657 4.720 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.793 10.107 3.151 1.00 0.50 H new ATOM 1843 N SER B 66 0.285 13.820 5.285 1.00 0.62 N ATOM 1844 CA SER B 66 -0.954 14.244 5.925 1.00 0.74 C ATOM 1845 C SER B 66 -1.689 15.257 5.050 1.00 0.75 C ATOM 1846 O SER B 66 -2.921 15.296 5.026 1.00 0.83 O ATOM 1847 CB SER B 66 -0.662 14.840 7.305 1.00 0.88 C ATOM 1848 OG SER B 66 -1.858 15.074 8.031 1.00 1.63 O ATOM 0 H SER B 66 1.134 14.111 5.770 1.00 0.62 H new ATOM 0 HA SER B 66 -1.595 13.371 6.052 1.00 0.74 H new ATOM 0 HB2 SER B 66 -0.020 14.162 7.867 1.00 0.88 H new ATOM 0 HB3 SER B 66 -0.115 15.776 7.191 1.00 0.88 H new ATOM 0 HG SER B 66 -1.640 15.453 8.908 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.925 16.067 4.323 1.00 0.71 N ATOM 1855 CA GLY B 67 -1.512 17.020 3.406 1.00 0.74 C ATOM 1856 C GLY B 67 -2.224 16.333 2.260 1.00 0.69 C ATOM 1857 O GLY B 67 -3.355 16.680 1.928 1.00 0.74 O ATOM 0 H GLY B 67 0.094 16.078 4.355 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -2.217 17.655 3.943 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -0.733 17.672 3.011 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.562 15.342 1.669 1.00 0.61 N ATOM 1862 CA ILE B 68 -2.145 14.561 0.582 1.00 0.58 C ATOM 1863 C ILE B 68 -3.432 13.887 1.044 1.00 0.62 C ATOM 1864 O ILE B 68 -4.466 13.962 0.376 1.00 0.70 O ATOM 1865 CB ILE B 68 -1.164 13.477 0.078 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.148 14.114 -0.383 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.790 12.669 -1.051 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.192 13.107 -0.817 1.00 0.45 C ATOM 0 H ILE B 68 -0.616 15.060 1.926 1.00 0.61 H new ATOM 0 HA ILE B 68 -2.360 15.250 -0.235 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.948 12.800 0.905 1.00 0.50 H new ATOM 0 HG12 ILE B 68 -0.058 14.791 -1.212 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.554 14.718 0.429 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -1.084 11.912 -1.391 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.697 12.184 -0.691 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -2.038 13.333 -1.879 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.095 13.631 -1.130 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.428 12.445 0.016 1.00 0.45 H new ATOM 0 HD13 ILE B 68 0.806 12.519 -1.650 1.00 0.45 H new ATOM 1875 N LEU B 69 -3.362 13.259 2.210 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.497 12.535 2.768 1.00 0.66 C ATOM 1877 C LEU B 69 -5.629 13.480 3.159 1.00 0.84 C ATOM 1878 O LEU B 69 -6.781 13.062 3.286 1.00 1.13 O ATOM 1879 CB LEU B 69 -4.055 11.723 3.985 1.00 0.61 C ATOM 1880 CG LEU B 69 -3.007 10.647 3.697 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.620 9.917 4.974 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.527 9.667 2.660 1.00 0.45 C ATOM 0 H LEU B 69 -2.525 13.236 2.792 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.872 11.862 1.997 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.656 12.407 4.734 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.932 11.247 4.424 1.00 0.61 H new ATOM 0 HG LEU B 69 -2.116 11.133 3.299 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -1.874 9.156 4.746 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -2.206 10.628 5.689 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.502 9.443 5.404 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -2.770 8.907 2.466 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.433 9.189 3.033 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.752 10.200 1.736 1.00 0.45 H new ATOM 1894 N GLY B 70 -5.294 14.748 3.354 1.00 0.79 N ATOM 1895 CA GLY B 70 -6.293 15.736 3.697 1.00 0.93 C ATOM 1896 C GLY B 70 -6.971 16.309 2.471 1.00 0.98 C ATOM 1897 O GLY B 70 -8.129 16.723 2.527 1.00 1.24 O ATOM 0 H GLY B 70 -4.343 15.110 3.280 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -7.042 15.283 4.347 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -5.826 16.542 4.263 1.00 0.93 H new ATOM 1901 N LYS B 71 -6.246 16.342 1.363 1.00 0.86 N ATOM 1902 CA LYS B 71 -6.792 16.833 0.106 1.00 0.97 C ATOM 1903 C LYS B 71 -7.703 15.784 -0.517 1.00 0.98 C ATOM 1904 O LYS B 71 -8.816 16.087 -0.944 1.00 1.25 O ATOM 1905 CB LYS B 71 -5.667 17.188 -0.868 1.00 1.11 C ATOM 1906 CG LYS B 71 -4.750 18.291 -0.368 1.00 1.68 C ATOM 1907 CD LYS B 71 -3.629 18.564 -1.353 1.00 2.11 C ATOM 1908 CE LYS B 71 -2.665 19.610 -0.824 1.00 2.60 C ATOM 1909 NZ LYS B 71 -1.548 19.871 -1.768 1.00 3.15 N ATOM 0 H LYS B 71 -5.275 16.034 1.309 1.00 0.86 H new ATOM 0 HA LYS B 71 -7.372 17.732 0.313 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -5.073 16.295 -1.064 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -6.105 17.495 -1.818 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -5.327 19.202 -0.208 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -4.329 18.007 0.596 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -3.089 17.639 -1.556 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -4.050 18.902 -2.300 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -3.205 20.538 -0.637 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -2.261 19.278 0.132 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -0.915 20.591 -1.366 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -1.015 18.992 -1.927 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -1.931 20.213 -2.673 1.00 3.15 H new ATOM 1923 N SER B 72 -7.222 14.552 -0.563 1.00 0.91 N ATOM 1924 CA SER B 72 -7.985 13.451 -1.127 1.00 1.08 C ATOM 1925 C SER B 72 -9.082 13.005 -0.161 1.00 1.03 C ATOM 1926 O SER B 72 -8.955 13.164 1.053 1.00 1.20 O ATOM 1927 CB SER B 72 -7.042 12.290 -1.434 1.00 1.29 C ATOM 1928 OG SER B 72 -5.949 12.729 -2.221 1.00 2.02 O ATOM 0 H SER B 72 -6.300 14.289 -0.214 1.00 0.91 H new ATOM 0 HA SER B 72 -8.463 13.783 -2.049 1.00 1.08 H new ATOM 0 HB2 SER B 72 -6.676 11.856 -0.503 1.00 1.29 H new ATOM 0 HB3 SER B 72 -7.584 11.504 -1.961 1.00 1.29 H new ATOM 0 HG SER B 72 -6.248 12.878 -3.142 1.00 2.02 H new ATOM 1934 N GLU B 73 -10.152 12.423 -0.703 1.00 1.12 N ATOM 1935 CA GLU B 73 -11.298 12.015 0.108 1.00 1.30 C ATOM 1936 C GLU B 73 -11.010 10.737 0.894 1.00 1.26 C ATOM 1937 O GLU B 73 -11.929 10.045 1.327 1.00 1.86 O ATOM 1938 CB GLU B 73 -12.544 11.810 -0.761 1.00 1.67 C ATOM 1939 CG GLU B 73 -12.955 13.037 -1.555 1.00 1.87 C ATOM 1940 CD GLU B 73 -13.060 14.281 -0.697 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -14.002 14.377 0.114 1.00 2.64 O ATOM 1942 OE2 GLU B 73 -12.191 15.166 -0.821 1.00 2.46 O ATOM 0 H GLU B 73 -10.249 12.224 -1.699 1.00 1.12 H new ATOM 0 HA GLU B 73 -11.484 12.822 0.817 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -12.360 10.988 -1.453 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -13.374 11.509 -0.122 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -12.230 13.209 -2.350 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -13.916 12.849 -2.035 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.734 10.429 1.079 1.00 1.03 N ATOM 1950 CA PHE B 74 -9.340 9.297 1.898 1.00 1.02 C ATOM 1951 C PHE B 74 -9.358 9.692 3.369 1.00 1.07 C ATOM 1952 O PHE B 74 -9.356 8.840 4.250 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.955 8.780 1.501 1.00 0.94 C ATOM 1954 CG PHE B 74 -7.911 8.160 0.129 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.635 7.010 -0.146 1.00 1.18 C ATOM 1956 CD2 PHE B 74 -7.150 8.725 -0.884 1.00 1.61 C ATOM 1957 CE1 PHE B 74 -8.599 6.435 -1.401 1.00 1.25 C ATOM 1958 CE2 PHE B 74 -7.112 8.154 -2.141 1.00 1.70 C ATOM 1959 CZ PHE B 74 -7.836 7.007 -2.400 1.00 1.19 C ATOM 0 H PHE B 74 -8.956 10.948 0.672 1.00 1.03 H new ATOM 0 HA PHE B 74 -10.055 8.490 1.734 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -7.244 9.605 1.540 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.628 8.042 2.234 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -9.234 6.558 0.631 1.00 1.18 H new ATOM 0 HD2 PHE B 74 -6.581 9.622 -0.687 1.00 1.61 H new ATOM 0 HE1 PHE B 74 -9.167 5.539 -1.601 1.00 1.25 H new ATOM 0 HE2 PHE B 74 -6.516 8.604 -2.921 1.00 1.70 H new ATOM 0 HZ PHE B 74 -7.806 6.558 -3.382 1.00 1.19 H new ATOM 1969 N LYS B 75 -9.353 11.007 3.609 1.00 1.12 N ATOM 1970 CA LYS B 75 -9.553 11.587 4.945 1.00 1.23 C ATOM 1971 C LYS B 75 -8.520 11.094 5.953 1.00 1.54 C ATOM 1972 O LYS B 75 -8.783 11.069 7.157 1.00 2.04 O ATOM 1973 CB LYS B 75 -10.964 11.275 5.462 1.00 1.42 C ATOM 1974 CG LYS B 75 -12.074 11.617 4.480 1.00 1.46 C ATOM 1975 CD LYS B 75 -12.052 13.083 4.077 1.00 1.65 C ATOM 1976 CE LYS B 75 -13.113 13.378 3.031 1.00 2.27 C ATOM 1977 NZ LYS B 75 -13.056 14.784 2.555 1.00 2.85 N ATOM 0 H LYS B 75 -9.209 11.705 2.879 1.00 1.12 H new ATOM 0 HA LYS B 75 -9.429 12.665 4.841 1.00 1.23 H new ATOM 0 HB2 LYS B 75 -11.024 10.214 5.706 1.00 1.42 H new ATOM 0 HB3 LYS B 75 -11.130 11.825 6.388 1.00 1.42 H new ATOM 0 HG2 LYS B 75 -11.974 10.996 3.590 1.00 1.46 H new ATOM 0 HG3 LYS B 75 -13.039 11.379 4.928 1.00 1.46 H new ATOM 0 HD2 LYS B 75 -12.219 13.707 4.955 1.00 1.65 H new ATOM 0 HD3 LYS B 75 -11.068 13.341 3.685 1.00 1.65 H new ATOM 0 HE2 LYS B 75 -12.983 12.704 2.184 1.00 2.27 H new ATOM 0 HE3 LYS B 75 -14.099 13.178 3.450 1.00 2.27 H new ATOM 0 HZ1 LYS B 75 -13.568 14.866 1.653 1.00 2.85 H new ATOM 0 HZ2 LYS B 75 -13.496 15.408 3.261 1.00 2.85 H new ATOM 0 HZ3 LYS B 75 -12.064 15.064 2.417 1.00 2.85 H new ATOM 1991 N GLY B 76 -7.349 10.713 5.463 1.00 1.89 N ATOM 1992 CA GLY B 76 -6.300 10.224 6.338 1.00 2.41 C ATOM 1993 C GLY B 76 -6.669 8.930 7.035 1.00 1.95 C ATOM 1994 O GLY B 76 -6.191 8.653 8.132 1.00 2.43 O ATOM 0 H GLY B 76 -7.105 10.733 4.473 1.00 1.89 H new ATOM 0 HA2 GLY B 76 -5.391 10.071 5.757 1.00 2.41 H new ATOM 0 HA3 GLY B 76 -6.075 10.983 7.087 1.00 2.41 H new ATOM 1998 N GLN B 77 -7.530 8.142 6.407 1.00 1.50 N ATOM 1999 CA GLN B 77 -7.922 6.857 6.964 1.00 1.32 C ATOM 2000 C GLN B 77 -6.839 5.822 6.704 1.00 1.10 C ATOM 2001 O GLN B 77 -6.169 5.856 5.674 1.00 1.50 O ATOM 2002 CB GLN B 77 -9.250 6.387 6.368 1.00 1.56 C ATOM 2003 CG GLN B 77 -10.418 7.312 6.671 1.00 2.02 C ATOM 2004 CD GLN B 77 -10.613 7.548 8.156 1.00 2.54 C ATOM 2005 OE1 GLN B 77 -11.325 6.801 8.827 1.00 2.88 O ATOM 2006 NE2 GLN B 77 -9.996 8.597 8.675 1.00 3.28 N ATOM 0 H GLN B 77 -7.969 8.369 5.515 1.00 1.50 H new ATOM 0 HA GLN B 77 -8.052 6.976 8.040 1.00 1.32 H new ATOM 0 HB2 GLN B 77 -9.141 6.296 5.287 1.00 1.56 H new ATOM 0 HB3 GLN B 77 -9.478 5.392 6.750 1.00 1.56 H new ATOM 0 HG2 GLN B 77 -10.256 8.269 6.174 1.00 2.02 H new ATOM 0 HG3 GLN B 77 -11.330 6.886 6.253 1.00 2.02 H new ATOM 0 HE21 GLN B 77 -9.415 9.191 8.084 1.00 3.28 H new ATOM 0 HE22 GLN B 77 -10.102 8.812 9.667 1.00 3.28 H new ATOM 2015 N HIS B 78 -6.671 4.916 7.652 1.00 0.88 N ATOM 2016 CA HIS B 78 -5.678 3.859 7.543 1.00 0.85 C ATOM 2017 C HIS B 78 -6.004 2.947 6.370 1.00 0.69 C ATOM 2018 O HIS B 78 -7.143 2.508 6.208 1.00 0.68 O ATOM 2019 CB HIS B 78 -5.629 3.038 8.833 1.00 1.02 C ATOM 2020 CG HIS B 78 -5.147 3.808 10.025 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -5.984 4.236 11.032 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -3.905 4.217 10.373 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -5.278 4.876 11.943 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -4.015 4.879 11.568 1.00 1.85 N ATOM 0 H HIS B 78 -7.215 4.891 8.514 1.00 0.88 H new ATOM 0 HA HIS B 78 -4.704 4.320 7.377 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -6.625 2.649 9.043 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -4.977 2.178 8.680 1.00 1.02 H new ATOM 0 HD2 HIS B 78 -2.996 4.052 9.813 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -5.669 5.323 12.845 1.00 1.95 H new ATOM 0 HE2 HIS B 78 -3.244 5.305 12.083 1.00 1.85 H new ATOM 2033 N LEU B 79 -4.984 2.670 5.561 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.121 1.822 4.380 1.00 0.46 C ATOM 2035 C LEU B 79 -5.730 0.470 4.740 1.00 0.44 C ATOM 2036 O LEU B 79 -6.512 -0.092 3.981 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.752 1.615 3.726 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.752 0.784 2.440 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.498 1.508 1.333 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.327 0.475 2.008 1.00 0.41 C ATOM 0 H LEU B 79 -4.040 3.027 5.706 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.789 2.322 3.679 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.323 2.593 3.506 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.093 1.133 4.449 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.266 -0.156 2.639 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.486 0.900 0.428 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.529 1.680 1.641 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -4.015 2.465 1.134 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.344 -0.116 1.092 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.791 1.407 1.828 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.823 -0.088 2.794 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.375 -0.039 5.910 1.00 0.50 N ATOM 2053 CA ALA B 80 -5.873 -1.328 6.365 1.00 0.54 C ATOM 2054 C ALA B 80 -7.367 -1.273 6.666 1.00 0.58 C ATOM 2055 O ALA B 80 -8.094 -2.239 6.431 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.104 -1.776 7.588 1.00 0.63 C ATOM 0 H ALA B 80 -4.742 0.423 6.563 1.00 0.50 H new ATOM 0 HA ALA B 80 -5.724 -2.052 5.564 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.483 -2.742 7.922 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.047 -1.867 7.340 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.228 -1.042 8.384 1.00 0.63 H new ATOM 2062 N ASP B 81 -7.820 -0.138 7.182 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.238 0.064 7.463 1.00 0.70 C ATOM 2064 C ASP B 81 -10.003 0.130 6.151 1.00 0.60 C ATOM 2065 O ASP B 81 -11.078 -0.455 6.003 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.447 1.357 8.260 1.00 0.78 C ATOM 2067 CG ASP B 81 -10.889 1.558 8.688 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -11.718 1.975 7.853 1.00 2.06 O ATOM 2069 OD2 ASP B 81 -11.198 1.307 9.874 1.00 2.30 O ATOM 0 H ASP B 81 -7.227 0.658 7.415 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.608 -0.770 8.060 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -8.809 1.340 9.144 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -9.131 2.207 7.655 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.412 0.837 5.198 1.00 0.50 N ATOM 2075 CA ILE B 82 -9.954 0.958 3.854 1.00 0.44 C ATOM 2076 C ILE B 82 -10.117 -0.414 3.198 1.00 0.48 C ATOM 2077 O ILE B 82 -11.159 -0.716 2.615 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.033 1.845 2.988 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.107 3.300 3.461 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.391 1.731 1.514 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.165 4.228 2.728 1.00 0.61 C ATOM 0 H ILE B 82 -8.539 1.345 5.337 1.00 0.50 H new ATOM 0 HA ILE B 82 -10.938 1.421 3.929 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.007 1.495 3.104 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.128 3.661 3.337 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -8.883 3.338 4.527 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -8.727 2.366 0.928 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.281 0.696 1.192 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.423 2.050 1.364 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -8.275 5.240 3.118 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.138 3.893 2.873 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -8.402 4.221 1.664 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.090 -1.243 3.318 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.101 -2.576 2.723 1.00 0.52 C ATOM 2090 C LEU B 83 -10.113 -3.485 3.412 1.00 0.69 C ATOM 2091 O LEU B 83 -10.681 -4.378 2.789 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.702 -3.191 2.777 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.803 -2.895 1.570 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.803 -1.413 1.226 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.387 -3.367 1.847 1.00 0.43 C ATOM 0 H LEU B 83 -8.234 -1.017 3.824 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.403 -2.477 1.680 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.202 -2.834 3.677 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.803 -4.272 2.876 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.203 -3.437 0.713 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.156 -1.239 0.366 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.818 -1.095 0.987 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.435 -0.842 2.078 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.757 -3.152 0.984 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -4.995 -2.847 2.721 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.392 -4.441 2.035 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.347 -3.246 4.696 1.00 0.74 N ATOM 2108 CA ASN B 84 -11.351 -4.002 5.439 1.00 0.94 C ATOM 2109 C ASN B 84 -12.753 -3.591 4.990 1.00 0.97 C ATOM 2110 O ASN B 84 -13.719 -4.339 5.143 1.00 1.14 O ATOM 2111 CB ASN B 84 -11.179 -3.777 6.947 1.00 1.03 C ATOM 2112 CG ASN B 84 -12.181 -4.555 7.784 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -11.963 -5.722 8.107 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -13.275 -3.909 8.159 1.00 1.79 N ATOM 0 H ASN B 84 -9.858 -2.538 5.244 1.00 0.74 H new ATOM 0 HA ASN B 84 -11.217 -5.064 5.234 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -10.169 -4.066 7.239 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -11.282 -2.714 7.164 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -13.972 -4.379 8.736 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -13.420 -2.941 7.871 1.00 1.79 H new ATOM 2121 N SER B 85 -12.845 -2.399 4.415 1.00 0.87 N ATOM 2122 CA SER B 85 -14.107 -1.877 3.916 1.00 0.93 C ATOM 2123 C SER B 85 -14.392 -2.418 2.514 1.00 0.91 C ATOM 2124 O SER B 85 -15.495 -2.261 1.988 1.00 1.01 O ATOM 2125 CB SER B 85 -14.066 -0.345 3.900 1.00 0.97 C ATOM 2126 OG SER B 85 -15.302 0.211 3.482 1.00 1.50 O ATOM 0 H SER B 85 -12.052 -1.772 4.283 1.00 0.87 H new ATOM 0 HA SER B 85 -14.910 -2.202 4.578 1.00 0.93 H new ATOM 0 HB2 SER B 85 -13.821 0.022 4.896 1.00 0.97 H new ATOM 0 HB3 SER B 85 -13.272 -0.010 3.232 1.00 0.97 H new ATOM 0 HG SER B 85 -15.764 -0.423 2.895 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.393 -3.056 1.915 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.536 -3.635 0.587 1.00 0.95 C ATOM 2134 C ALA B 86 -13.957 -5.096 0.690 1.00 1.14 C ATOM 2135 O ALA B 86 -13.318 -5.989 0.133 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.234 -3.503 -0.190 1.00 1.09 C ATOM 0 H ALA B 86 -12.471 -3.185 2.332 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.313 -3.091 0.049 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -12.356 -3.940 -1.181 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -11.974 -2.449 -0.288 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.438 -4.025 0.342 1.00 1.09 H new ATOM 2142 N SER B 87 -15.039 -5.330 1.416 1.00 1.42 N ATOM 2143 CA SER B 87 -15.534 -6.674 1.648 1.00 1.71 C ATOM 2144 C SER B 87 -16.309 -7.196 0.439 1.00 1.54 C ATOM 2145 O SER B 87 -17.519 -6.984 0.316 1.00 1.80 O ATOM 2146 CB SER B 87 -16.403 -6.679 2.904 1.00 2.36 C ATOM 2147 OG SER B 87 -17.230 -5.526 2.956 1.00 3.09 O ATOM 0 H SER B 87 -15.594 -4.597 1.858 1.00 1.42 H new ATOM 0 HA SER B 87 -14.687 -7.344 1.796 1.00 1.71 H new ATOM 0 HB2 SER B 87 -17.022 -7.576 2.918 1.00 2.36 H new ATOM 0 HB3 SER B 87 -15.768 -6.716 3.789 1.00 2.36 H new ATOM 0 HG SER B 87 -17.714 -5.432 2.109 1.00 3.09 H new ATOM 2153 N ARG B 88 -15.600 -7.859 -0.463 1.00 1.61 N ATOM 2154 CA ARG B 88 -16.214 -8.443 -1.647 1.00 1.65 C ATOM 2155 C ARG B 88 -16.840 -9.797 -1.329 1.00 1.89 C ATOM 2156 O ARG B 88 -16.415 -10.493 -0.404 1.00 2.39 O ATOM 2157 CB ARG B 88 -15.182 -8.611 -2.763 1.00 2.06 C ATOM 2158 CG ARG B 88 -14.764 -7.307 -3.423 1.00 2.62 C ATOM 2159 CD ARG B 88 -13.818 -7.553 -4.592 1.00 3.31 C ATOM 2160 NE ARG B 88 -14.380 -8.489 -5.573 1.00 4.01 N ATOM 2161 CZ ARG B 88 -14.238 -8.371 -6.897 1.00 4.75 C ATOM 2162 NH1 ARG B 88 -13.601 -7.327 -7.415 1.00 5.00 N ATOM 2163 NH2 ARG B 88 -14.751 -9.291 -7.706 1.00 5.55 N ATOM 0 H ARG B 88 -14.593 -8.007 -0.397 1.00 1.61 H new ATOM 0 HA ARG B 88 -16.997 -7.762 -1.980 1.00 1.65 H new ATOM 0 HB2 ARG B 88 -14.297 -9.099 -2.354 1.00 2.06 H new ATOM 0 HB3 ARG B 88 -15.590 -9.276 -3.524 1.00 2.06 H new ATOM 0 HG2 ARG B 88 -15.648 -6.776 -3.774 1.00 2.62 H new ATOM 0 HG3 ARG B 88 -14.278 -6.665 -2.688 1.00 2.62 H new ATOM 0 HD2 ARG B 88 -13.596 -6.605 -5.083 1.00 3.31 H new ATOM 0 HD3 ARG B 88 -12.874 -7.947 -4.216 1.00 3.31 H new ATOM 0 HE ARG B 88 -14.915 -9.283 -5.221 1.00 4.01 H new ATOM 0 HH11 ARG B 88 -13.216 -6.609 -6.802 1.00 5.00 H new ATOM 0 HH12 ARG B 88 -13.496 -7.244 -8.426 1.00 5.00 H new ATOM 0 HH21 ARG B 88 -15.254 -10.089 -7.317 1.00 5.55 H new ATOM 0 HH22 ARG B 88 -14.642 -9.200 -8.716 1.00 5.55 H new ATOM 2177 N VAL B 89 -17.852 -10.158 -2.103 1.00 2.00 N ATOM 2178 CA VAL B 89 -18.501 -11.451 -1.969 1.00 2.42 C ATOM 2179 C VAL B 89 -17.926 -12.423 -3.000 1.00 2.25 C ATOM 2180 O VAL B 89 -17.822 -12.091 -4.182 1.00 2.29 O ATOM 2181 CB VAL B 89 -20.039 -11.333 -2.137 1.00 3.06 C ATOM 2182 CG1 VAL B 89 -20.407 -10.705 -3.473 1.00 3.58 C ATOM 2183 CG2 VAL B 89 -20.711 -12.689 -1.979 1.00 3.55 C ATOM 0 H VAL B 89 -18.244 -9.567 -2.836 1.00 2.00 H new ATOM 0 HA VAL B 89 -18.308 -11.830 -0.965 1.00 2.42 H new ATOM 0 HB VAL B 89 -20.404 -10.676 -1.348 1.00 3.06 H new ATOM 0 HG11 VAL B 89 -21.492 -10.638 -3.557 1.00 3.58 H new ATOM 0 HG12 VAL B 89 -19.976 -9.706 -3.537 1.00 3.58 H new ATOM 0 HG13 VAL B 89 -20.018 -11.321 -4.284 1.00 3.58 H new ATOM 0 HG21 VAL B 89 -21.788 -12.578 -2.101 1.00 3.55 H new ATOM 0 HG22 VAL B 89 -20.329 -13.375 -2.735 1.00 3.55 H new ATOM 0 HG23 VAL B 89 -20.498 -13.087 -0.987 1.00 3.55 H new ATOM 2187 N PRO B 90 -17.503 -13.620 -2.560 1.00 2.60 N ATOM 2188 CA PRO B 90 -16.891 -14.619 -3.441 1.00 2.83 C ATOM 2189 C PRO B 90 -17.813 -15.044 -4.579 1.00 2.80 C ATOM 2190 O PRO B 90 -18.912 -15.547 -4.348 1.00 3.31 O ATOM 2191 CB PRO B 90 -16.611 -15.809 -2.513 1.00 3.67 C ATOM 2192 CG PRO B 90 -17.471 -15.583 -1.318 1.00 3.95 C ATOM 2193 CD PRO B 90 -17.580 -14.095 -1.170 1.00 3.28 C ATOM 0 HA PRO B 90 -16.000 -14.224 -3.929 1.00 2.83 H new ATOM 0 HB2 PRO B 90 -16.854 -16.754 -3.000 1.00 3.67 H new ATOM 0 HB3 PRO B 90 -15.557 -15.854 -2.237 1.00 3.67 H new ATOM 0 HG2 PRO B 90 -18.453 -16.036 -1.452 1.00 3.95 H new ATOM 0 HG3 PRO B 90 -17.031 -16.033 -0.428 1.00 3.95 H new ATOM 0 HD2 PRO B 90 -18.517 -13.804 -0.695 1.00 3.28 H new ATOM 0 HD3 PRO B 90 -16.773 -13.690 -0.559 1.00 3.28 H new ATOM 2201 N GLU B 91 -17.366 -14.820 -5.804 1.00 2.59 N ATOM 2202 CA GLU B 91 -18.108 -15.243 -6.978 1.00 2.75 C ATOM 2203 C GLU B 91 -17.401 -16.417 -7.647 1.00 2.55 C ATOM 2204 O GLU B 91 -16.218 -16.664 -7.393 1.00 2.94 O ATOM 2205 CB GLU B 91 -18.267 -14.089 -7.978 1.00 3.30 C ATOM 2206 CG GLU B 91 -16.957 -13.583 -8.573 1.00 3.94 C ATOM 2207 CD GLU B 91 -16.164 -12.716 -7.618 1.00 4.58 C ATOM 2208 OE1 GLU B 91 -16.375 -11.488 -7.614 1.00 5.08 O ATOM 2209 OE2 GLU B 91 -15.321 -13.256 -6.867 1.00 5.01 O ATOM 0 H GLU B 91 -16.487 -14.345 -6.011 1.00 2.59 H new ATOM 0 HA GLU B 91 -19.102 -15.555 -6.657 1.00 2.75 H new ATOM 0 HB2 GLU B 91 -18.918 -14.415 -8.789 1.00 3.30 H new ATOM 0 HB3 GLU B 91 -18.769 -13.260 -7.480 1.00 3.30 H new ATOM 0 HG2 GLU B 91 -16.347 -14.436 -8.871 1.00 3.94 H new ATOM 0 HG3 GLU B 91 -17.172 -13.014 -9.477 1.00 3.94 H new ATOM 2216 N SER B 92 -18.122 -17.135 -8.489 1.00 2.56 N ATOM 2217 CA SER B 92 -17.559 -18.265 -9.204 1.00 2.76 C ATOM 2218 C SER B 92 -18.389 -18.537 -10.455 1.00 2.95 C ATOM 2219 O SER B 92 -17.986 -18.084 -11.546 1.00 3.07 O ATOM 2220 CB SER B 92 -17.513 -19.500 -8.295 1.00 3.61 C ATOM 2221 OG SER B 92 -16.665 -20.507 -8.829 1.00 4.13 O ATOM 2222 OXT SER B 92 -19.460 -19.170 -10.340 1.00 3.54 O ATOM 0 H SER B 92 -19.104 -16.954 -8.695 1.00 2.56 H new ATOM 0 HA SER B 92 -16.537 -18.033 -9.505 1.00 2.76 H new ATOM 0 HB2 SER B 92 -17.159 -19.212 -7.305 1.00 3.61 H new ATOM 0 HB3 SER B 92 -18.520 -19.899 -8.170 1.00 3.61 H new ATOM 0 HG SER B 92 -16.655 -21.280 -8.227 1.00 4.13 H new TER 2228 SER B 92