USER MOD reduce.3.24.130724 H: found=0, std=0, add=1626, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 CYS SG : rot 76:sc= 2 USER MOD Set 1.2: B 80 SER OG : rot -43:sc= 0.749 USER MOD Set 2.1: B 61 ASN : amide:sc= 1.44 K(o=1.8,f=-3.1!) USER MOD Set 2.2: B 64 SER OG : rot 139:sc= 0.379 USER MOD Set 3.1: B 17 HIS : no HE2:sc= -0.433 K(o=-0.2,f=-5.7!) USER MOD Set 3.2: B 26 LYS NZ :NH3+ -119:sc= 0.232 (180deg=-0.396) USER MOD Set 4.1: A 96 LYS NZ :NH3+ -128:sc= -1.78 (180deg=-4.42!) USER MOD Set 4.2: B 73 GLN : amide:sc= 0.0192 K(o=-1.8,f=-5.9!) USER MOD Set 5.1: A 80 SER OG : rot -61:sc= 0.792 USER MOD Set 5.2: B 76 CYS SG : rot 76:sc= 2.01 USER MOD Set 6.1: A 73 GLN : amide:sc= 0.0402 K(o=-1.7,f=-6.5!) USER MOD Set 6.2: B 96 LYS NZ :NH3+ -127:sc= -1.74 (180deg=-4.55!) USER MOD Set 7.1: A 61 ASN : amide:sc= 1.36 K(o=1.8,f=-3.2!) USER MOD Set 7.2: A 64 SER OG : rot 136:sc= 0.416 USER MOD Set 8.1: A 17 HIS : no HE2:sc= -0.45 K(o=-0.44,f=-5.3!) USER MOD Set 8.2: A 26 LYS NZ :NH3+ -119:sc= 0.0103 (180deg=-0.444) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.105 (180deg=-0.201) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -163:sc= -0.427 (180deg=-1.34!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -116:sc= -1.32 (180deg=-3.44!) USER MOD Single : A 19 TYR OH : rot 167:sc= 0.0219 USER MOD Single : A 20 SER OG : rot -57:sc= -0.761 USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.248! (180deg=-0.815) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0407 K(o=-0.041,f=-1.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 83:sc= 1.08 USER MOD Single : A 44 SER OG : rot 180:sc= -0.065 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0158 K(o=-0.016,f=-1.7!) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.09) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 39:sc= 0.777 USER MOD Single : A 65 ASN : amide:sc= -2.66! C(o=-2.7!,f=-4.7!) USER MOD Single : A 68 ASN : amide:sc= -2.4 X(o=-2.4,f=-2.6!) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0289 USER MOD Single : A 81 CYS SG : rot -21:sc= 0.212 USER MOD Single : A 84 MET CE :methyl -169:sc= -0.913 (180deg=-1.14) USER MOD Single : A 85 MET CE :methyl -158:sc= -0.548 (180deg=-1.49!) USER MOD Single : A 86 CYS SG : rot -51:sc= 0.295 USER MOD Single : A 87 ASN : amide:sc= -1.31! C(o=-1.3!,f=-10!) USER MOD Single : A 97 GLN : amide:sc= -0.962 K(o=-0.96,f=-0.026) USER MOD Single : A 100 LYS NZ :NH3+ -150:sc= -0.25 (180deg=-1.38!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -124:sc= 0.118 (180deg=-0.174) USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -164:sc= -0.466 (180deg=-1.39!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 LYS NZ :NH3+ -121:sc= -1.27 (180deg=-3.51!) USER MOD Single : B 19 TYR OH : rot 168:sc= 0.0307 USER MOD Single : B 20 SER OG : rot -60:sc= -0.739 USER MOD Single : B 22 LYS NZ :NH3+ 170:sc= -0.48! (180deg=-1.07!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -0.036 K(o=-0.036,f=-1.6!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 83:sc= 1.08 USER MOD Single : B 44 SER OG : rot 180:sc= -0.0425 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 56 GLN : amide:sc=-0.00389 K(o=-0.0039,f=-1.8!) USER MOD Single : B 57 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0573) USER MOD Single : B 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 46:sc= 0.733 USER MOD Single : B 65 ASN : amide:sc= -2.66! C(o=-2.7!,f=-4.7!) USER MOD Single : B 68 ASN : amide:sc= -2.38 X(o=-2.4,f=-2.6!) USER MOD Single : B 75 TYR OH : rot 180:sc= -0.0419 USER MOD Single : B 81 CYS SG : rot -22:sc= 0.229 USER MOD Single : B 84 MET CE :methyl -171:sc= -0.88 (180deg=-1.12) USER MOD Single : B 85 MET CE :methyl -155:sc= -0.523 (180deg=-1.49!) USER MOD Single : B 86 CYS SG : rot -49:sc= 0.157! USER MOD Single : B 87 ASN : amide:sc= -1.46! C(o=-1.5!,f=-11!) USER MOD Single : B 97 GLN : amide:sc= -0.915 K(o=-0.92,f=-0.031) USER MOD Single : B 100 LYS NZ :NH3+ -152:sc= -0.372 (180deg=-1.33!) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 76.319 -2.993 -21.374 1.00 0.00 N ATOM 2 CA MET A 1 77.464 -2.057 -21.556 1.00 0.00 C ATOM 3 C MET A 1 77.289 -0.847 -20.639 1.00 0.00 C ATOM 4 O MET A 1 76.435 -0.828 -19.775 1.00 0.00 O ATOM 5 CB MET A 1 77.518 -1.587 -23.010 1.00 0.00 C ATOM 6 CG MET A 1 77.943 -2.751 -23.905 1.00 0.00 C ATOM 7 SD MET A 1 78.067 -2.185 -25.618 1.00 0.00 S ATOM 8 CE MET A 1 78.599 -3.760 -26.331 1.00 0.00 C ATOM 0 H1 MET A 1 76.677 -3.931 -21.101 1.00 0.00 H new ATOM 0 H2 MET A 1 75.690 -2.632 -20.628 1.00 0.00 H new ATOM 0 H3 MET A 1 75.789 -3.071 -22.266 1.00 0.00 H new ATOM 0 HA MET A 1 78.391 -2.572 -21.306 1.00 0.00 H new ATOM 0 HB2 MET A 1 76.542 -1.214 -23.319 1.00 0.00 H new ATOM 0 HB3 MET A 1 78.222 -0.761 -23.111 1.00 0.00 H new ATOM 0 HG2 MET A 1 78.902 -3.148 -23.572 1.00 0.00 H new ATOM 0 HG3 MET A 1 77.219 -3.563 -23.831 1.00 0.00 H new ATOM 0 HE1 MET A 1 78.740 -3.644 -27.406 1.00 0.00 H new ATOM 0 HE2 MET A 1 79.539 -4.068 -25.873 1.00 0.00 H new ATOM 0 HE3 MET A 1 77.839 -4.519 -26.145 1.00 0.00 H new ATOM 20 N ALA A 2 78.096 0.164 -20.817 1.00 0.00 N ATOM 21 CA ALA A 2 77.981 1.375 -19.955 1.00 0.00 C ATOM 22 C ALA A 2 77.883 0.946 -18.487 1.00 0.00 C ATOM 23 O ALA A 2 78.350 -0.110 -18.111 1.00 0.00 O ATOM 24 CB ALA A 2 76.730 2.159 -20.352 1.00 0.00 C ATOM 0 H ALA A 2 78.831 0.203 -21.523 1.00 0.00 H new ATOM 0 HA ALA A 2 78.859 2.007 -20.086 1.00 0.00 H new ATOM 0 HB1 ALA A 2 76.642 3.046 -19.724 1.00 0.00 H new ATOM 0 HB2 ALA A 2 76.806 2.460 -21.397 1.00 0.00 H new ATOM 0 HB3 ALA A 2 75.849 1.531 -20.219 1.00 0.00 H new ATOM 30 N CYS A 3 77.274 1.749 -17.655 1.00 0.00 N ATOM 31 CA CYS A 3 77.147 1.370 -16.219 1.00 0.00 C ATOM 32 C CYS A 3 78.507 0.897 -15.684 1.00 0.00 C ATOM 33 O CYS A 3 78.648 -0.237 -15.270 1.00 0.00 O ATOM 34 CB CYS A 3 76.128 0.238 -16.087 1.00 0.00 C ATOM 35 SG CYS A 3 74.598 0.703 -16.936 1.00 0.00 S ATOM 0 H CYS A 3 76.861 2.647 -17.907 1.00 0.00 H new ATOM 0 HA CYS A 3 76.816 2.234 -15.643 1.00 0.00 H new ATOM 0 HB2 CYS A 3 76.530 -0.680 -16.516 1.00 0.00 H new ATOM 0 HB3 CYS A 3 75.926 0.037 -15.035 1.00 0.00 H new ATOM 0 HG CYS A 3 73.731 -0.260 -16.827 1.00 0.00 H new ATOM 41 N PRO A 4 79.507 1.748 -15.697 1.00 0.00 N ATOM 42 CA PRO A 4 80.859 1.354 -15.202 1.00 0.00 C ATOM 43 C PRO A 4 80.855 1.054 -13.696 1.00 0.00 C ATOM 44 O PRO A 4 81.747 0.412 -13.179 1.00 0.00 O ATOM 45 CB PRO A 4 81.710 2.593 -15.541 1.00 0.00 C ATOM 46 CG PRO A 4 80.753 3.749 -15.886 1.00 0.00 C ATOM 47 CD PRO A 4 79.370 3.150 -16.192 1.00 0.00 C ATOM 0 HA PRO A 4 81.234 0.435 -15.654 1.00 0.00 H new ATOM 0 HB2 PRO A 4 82.344 2.862 -14.696 1.00 0.00 H new ATOM 0 HB3 PRO A 4 82.371 2.382 -16.381 1.00 0.00 H new ATOM 0 HG2 PRO A 4 80.688 4.450 -15.054 1.00 0.00 H new ATOM 0 HG3 PRO A 4 81.125 4.307 -16.745 1.00 0.00 H new ATOM 0 HD2 PRO A 4 78.573 3.686 -15.677 1.00 0.00 H new ATOM 0 HD3 PRO A 4 79.140 3.184 -17.257 1.00 0.00 H new ATOM 55 N LEU A 5 79.855 1.508 -12.994 1.00 0.00 N ATOM 56 CA LEU A 5 79.796 1.242 -11.532 1.00 0.00 C ATOM 57 C LEU A 5 79.768 -0.274 -11.327 1.00 0.00 C ATOM 58 O LEU A 5 80.347 -0.801 -10.399 1.00 0.00 O ATOM 59 CB LEU A 5 78.530 1.874 -10.937 1.00 0.00 C ATOM 60 CG LEU A 5 78.458 1.606 -9.425 1.00 0.00 C ATOM 61 CD1 LEU A 5 79.663 2.247 -8.714 1.00 0.00 C ATOM 62 CD2 LEU A 5 77.161 2.208 -8.873 1.00 0.00 C ATOM 0 H LEU A 5 79.077 2.051 -13.370 1.00 0.00 H new ATOM 0 HA LEU A 5 80.664 1.674 -11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 5 78.530 2.948 -11.123 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.647 1.466 -11.428 1.00 0.00 H new ATOM 0 HG LEU A 5 78.476 0.531 -9.248 1.00 0.00 H new ATOM 0 HD11 LEU A 5 79.601 2.050 -7.644 1.00 0.00 H new ATOM 0 HD12 LEU A 5 80.586 1.822 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 5 79.657 3.323 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 5 77.101 2.023 -7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 5 77.152 3.282 -9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.306 1.748 -9.369 1.00 0.00 H new ATOM 74 N GLU A 6 79.084 -0.974 -12.192 1.00 0.00 N ATOM 75 CA GLU A 6 78.994 -2.456 -12.062 1.00 0.00 C ATOM 76 C GLU A 6 80.390 -3.076 -12.131 1.00 0.00 C ATOM 77 O GLU A 6 80.714 -3.979 -11.384 1.00 0.00 O ATOM 78 CB GLU A 6 78.166 -2.998 -13.228 1.00 0.00 C ATOM 79 CG GLU A 6 76.705 -2.592 -13.058 1.00 0.00 C ATOM 80 CD GLU A 6 75.902 -3.061 -14.272 1.00 0.00 C ATOM 81 OE1 GLU A 6 76.516 -3.542 -15.210 1.00 0.00 O ATOM 82 OE2 GLU A 6 74.690 -2.931 -14.245 1.00 0.00 O ATOM 0 H GLU A 6 78.581 -0.580 -12.987 1.00 0.00 H new ATOM 0 HA GLU A 6 78.533 -2.706 -11.107 1.00 0.00 H new ATOM 0 HB2 GLU A 6 78.553 -2.612 -14.171 1.00 0.00 H new ATOM 0 HB3 GLU A 6 78.248 -4.084 -13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 6 76.298 -3.031 -12.147 1.00 0.00 H new ATOM 0 HG3 GLU A 6 76.627 -1.510 -12.953 1.00 0.00 H new ATOM 89 N LYS A 7 81.223 -2.604 -13.015 1.00 0.00 N ATOM 90 CA LYS A 7 82.593 -3.177 -13.110 1.00 0.00 C ATOM 91 C LYS A 7 83.402 -2.656 -11.933 1.00 0.00 C ATOM 92 O LYS A 7 84.062 -3.397 -11.238 1.00 0.00 O ATOM 93 CB LYS A 7 83.256 -2.761 -14.440 1.00 0.00 C ATOM 94 CG LYS A 7 82.200 -2.592 -15.543 1.00 0.00 C ATOM 95 CD LYS A 7 81.408 -3.887 -15.751 1.00 0.00 C ATOM 96 CE LYS A 7 80.233 -3.591 -16.678 1.00 0.00 C ATOM 97 NZ LYS A 7 79.443 -4.836 -16.895 1.00 0.00 N ATOM 0 H LYS A 7 81.016 -1.851 -13.672 1.00 0.00 H new ATOM 0 HA LYS A 7 82.548 -4.266 -13.084 1.00 0.00 H new ATOM 0 HB2 LYS A 7 83.800 -1.826 -14.304 1.00 0.00 H new ATOM 0 HB3 LYS A 7 83.985 -3.514 -14.740 1.00 0.00 H new ATOM 0 HG2 LYS A 7 81.518 -1.784 -15.278 1.00 0.00 H new ATOM 0 HG3 LYS A 7 82.686 -2.306 -16.476 1.00 0.00 H new ATOM 0 HD2 LYS A 7 82.047 -4.657 -16.183 1.00 0.00 H new ATOM 0 HD3 LYS A 7 81.050 -4.270 -14.795 1.00 0.00 H new ATOM 0 HE2 LYS A 7 79.600 -2.817 -16.244 1.00 0.00 H new ATOM 0 HE3 LYS A 7 80.596 -3.208 -17.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.642 -4.633 -17.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 80.050 -5.561 -17.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 79.085 -5.183 -15.983 1.00 0.00 H new ATOM 111 N ALA A 8 83.322 -1.385 -11.682 1.00 0.00 N ATOM 112 CA ALA A 8 84.064 -0.829 -10.524 1.00 0.00 C ATOM 113 C ALA A 8 83.538 -1.534 -9.286 1.00 0.00 C ATOM 114 O ALA A 8 84.278 -1.926 -8.409 1.00 0.00 O ATOM 115 CB ALA A 8 83.852 0.674 -10.418 1.00 0.00 C ATOM 0 H ALA A 8 82.780 -0.711 -12.223 1.00 0.00 H new ATOM 0 HA ALA A 8 85.136 -0.991 -10.637 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.405 1.060 -9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 8 84.208 1.157 -11.328 1.00 0.00 H new ATOM 0 HB3 ALA A 8 82.790 0.883 -10.288 1.00 0.00 H new ATOM 121 N LEU A 9 82.258 -1.752 -9.236 1.00 0.00 N ATOM 122 CA LEU A 9 81.697 -2.493 -8.086 1.00 0.00 C ATOM 123 C LEU A 9 82.369 -3.858 -8.099 1.00 0.00 C ATOM 124 O LEU A 9 82.755 -4.388 -7.076 1.00 0.00 O ATOM 125 CB LEU A 9 80.182 -2.649 -8.255 1.00 0.00 C ATOM 126 CG LEU A 9 79.590 -3.431 -7.074 1.00 0.00 C ATOM 127 CD1 LEU A 9 79.851 -2.688 -5.752 1.00 0.00 C ATOM 128 CD2 LEU A 9 78.082 -3.587 -7.293 1.00 0.00 C ATOM 0 H LEU A 9 81.582 -1.450 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 9 81.873 -1.971 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 9 79.714 -1.667 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 9 79.965 -3.168 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 9 80.063 -4.411 -7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 9 79.425 -3.256 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 9 80.925 -2.579 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 9 79.388 -1.702 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 9 77.649 -4.141 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 9 77.619 -2.602 -7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 9 77.903 -4.129 -8.222 1.00 0.00 H new ATOM 140 N ASP A 10 82.546 -4.412 -9.269 1.00 0.00 N ATOM 141 CA ASP A 10 83.234 -5.721 -9.363 1.00 0.00 C ATOM 142 C ASP A 10 84.697 -5.524 -8.966 1.00 0.00 C ATOM 143 O ASP A 10 85.305 -6.387 -8.373 1.00 0.00 O ATOM 144 CB ASP A 10 83.146 -6.261 -10.794 1.00 0.00 C ATOM 145 CG ASP A 10 83.567 -7.732 -10.809 1.00 0.00 C ATOM 146 OD1 ASP A 10 84.218 -8.152 -9.866 1.00 0.00 O ATOM 147 OD2 ASP A 10 83.230 -8.415 -11.762 1.00 0.00 O ATOM 0 H ASP A 10 82.243 -4.012 -10.157 1.00 0.00 H new ATOM 0 HA ASP A 10 82.759 -6.441 -8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 10 82.128 -6.159 -11.171 1.00 0.00 H new ATOM 0 HB3 ASP A 10 83.790 -5.680 -11.454 1.00 0.00 H new ATOM 152 N VAL A 11 85.275 -4.390 -9.285 1.00 0.00 N ATOM 153 CA VAL A 11 86.702 -4.165 -8.906 1.00 0.00 C ATOM 154 C VAL A 11 86.825 -4.250 -7.379 1.00 0.00 C ATOM 155 O VAL A 11 87.759 -4.827 -6.857 1.00 0.00 O ATOM 156 CB VAL A 11 87.168 -2.786 -9.399 1.00 0.00 C ATOM 157 CG1 VAL A 11 88.554 -2.469 -8.831 1.00 0.00 C ATOM 158 CG2 VAL A 11 87.232 -2.788 -10.933 1.00 0.00 C ATOM 0 H VAL A 11 84.826 -3.622 -9.784 1.00 0.00 H new ATOM 0 HA VAL A 11 87.331 -4.925 -9.369 1.00 0.00 H new ATOM 0 HB VAL A 11 86.462 -2.027 -9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 11 88.877 -1.490 -9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 11 88.509 -2.464 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 11 89.265 -3.227 -9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 11 87.562 -1.811 -11.285 1.00 0.00 H new ATOM 0 HG22 VAL A 11 87.936 -3.551 -11.267 1.00 0.00 H new ATOM 0 HG23 VAL A 11 86.243 -3.004 -11.338 1.00 0.00 H new ATOM 168 N MET A 12 85.882 -3.699 -6.655 1.00 0.00 N ATOM 169 CA MET A 12 85.953 -3.780 -5.164 1.00 0.00 C ATOM 170 C MET A 12 85.931 -5.252 -4.758 1.00 0.00 C ATOM 171 O MET A 12 86.679 -5.697 -3.912 1.00 0.00 O ATOM 172 CB MET A 12 84.745 -3.070 -4.534 1.00 0.00 C ATOM 173 CG MET A 12 84.938 -2.966 -3.012 1.00 0.00 C ATOM 174 SD MET A 12 83.334 -2.735 -2.208 1.00 0.00 S ATOM 175 CE MET A 12 82.749 -1.390 -3.261 1.00 0.00 C ATOM 0 H MET A 12 85.074 -3.201 -7.028 1.00 0.00 H new ATOM 0 HA MET A 12 86.867 -3.298 -4.818 1.00 0.00 H new ATOM 0 HB2 MET A 12 84.631 -2.075 -4.964 1.00 0.00 H new ATOM 0 HB3 MET A 12 83.831 -3.620 -4.757 1.00 0.00 H new ATOM 0 HG2 MET A 12 85.418 -3.869 -2.634 1.00 0.00 H new ATOM 0 HG3 MET A 12 85.598 -2.131 -2.776 1.00 0.00 H new ATOM 0 HE1 MET A 12 81.916 -0.883 -2.775 1.00 0.00 H new ATOM 0 HE2 MET A 12 83.559 -0.679 -3.427 1.00 0.00 H new ATOM 0 HE3 MET A 12 82.419 -1.794 -4.218 1.00 0.00 H new ATOM 185 N VAL A 13 85.049 -6.004 -5.348 1.00 0.00 N ATOM 186 CA VAL A 13 84.941 -7.451 -5.006 1.00 0.00 C ATOM 187 C VAL A 13 86.081 -8.243 -5.661 1.00 0.00 C ATOM 188 O VAL A 13 86.684 -9.103 -5.049 1.00 0.00 O ATOM 189 CB VAL A 13 83.598 -7.981 -5.510 1.00 0.00 C ATOM 190 CG1 VAL A 13 83.433 -9.449 -5.106 1.00 0.00 C ATOM 191 CG2 VAL A 13 82.469 -7.151 -4.898 1.00 0.00 C ATOM 0 H VAL A 13 84.393 -5.679 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 13 85.010 -7.570 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 13 83.563 -7.905 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.474 -9.820 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 13 84.239 -10.039 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.468 -9.534 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.509 -7.524 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.508 -7.228 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.584 -6.108 -5.192 1.00 0.00 H new ATOM 201 N SER A 14 86.368 -7.973 -6.906 1.00 0.00 N ATOM 202 CA SER A 14 87.451 -8.728 -7.603 1.00 0.00 C ATOM 203 C SER A 14 88.778 -8.525 -6.874 1.00 0.00 C ATOM 204 O SER A 14 89.477 -9.469 -6.568 1.00 0.00 O ATOM 205 CB SER A 14 87.582 -8.220 -9.039 1.00 0.00 C ATOM 206 OG SER A 14 88.592 -8.960 -9.708 1.00 0.00 O ATOM 0 H SER A 14 85.901 -7.264 -7.471 1.00 0.00 H new ATOM 0 HA SER A 14 87.201 -9.789 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 14 86.631 -8.325 -9.562 1.00 0.00 H new ATOM 0 HB3 SER A 14 87.831 -7.159 -9.040 1.00 0.00 H new ATOM 0 HG SER A 14 88.677 -8.638 -10.630 1.00 0.00 H new ATOM 212 N THR A 15 89.132 -7.304 -6.588 1.00 0.00 N ATOM 213 CA THR A 15 90.412 -7.060 -5.873 1.00 0.00 C ATOM 214 C THR A 15 90.353 -7.742 -4.504 1.00 0.00 C ATOM 215 O THR A 15 91.304 -8.347 -4.056 1.00 0.00 O ATOM 216 CB THR A 15 90.624 -5.542 -5.733 1.00 0.00 C ATOM 217 OG1 THR A 15 92.011 -5.269 -5.604 1.00 0.00 O ATOM 218 CG2 THR A 15 89.879 -4.990 -4.514 1.00 0.00 C ATOM 0 H THR A 15 88.593 -6.469 -6.817 1.00 0.00 H new ATOM 0 HA THR A 15 91.252 -7.475 -6.429 1.00 0.00 H new ATOM 0 HB THR A 15 90.228 -5.056 -6.625 1.00 0.00 H new ATOM 0 HG1 THR A 15 92.147 -4.302 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 15 90.047 -3.916 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 15 88.812 -5.184 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 15 90.247 -5.477 -3.611 1.00 0.00 H new ATOM 226 N PHE A 16 89.230 -7.652 -3.851 1.00 0.00 N ATOM 227 CA PHE A 16 89.077 -8.294 -2.513 1.00 0.00 C ATOM 228 C PHE A 16 89.304 -9.799 -2.645 1.00 0.00 C ATOM 229 O PHE A 16 89.934 -10.423 -1.815 1.00 0.00 O ATOM 230 CB PHE A 16 87.657 -8.032 -1.999 1.00 0.00 C ATOM 231 CG PHE A 16 87.460 -8.667 -0.640 1.00 0.00 C ATOM 232 CD1 PHE A 16 87.143 -10.028 -0.543 1.00 0.00 C ATOM 233 CD2 PHE A 16 87.584 -7.894 0.521 1.00 0.00 C ATOM 234 CE1 PHE A 16 86.952 -10.616 0.714 1.00 0.00 C ATOM 235 CE2 PHE A 16 87.391 -8.482 1.778 1.00 0.00 C ATOM 236 CZ PHE A 16 87.075 -9.843 1.874 1.00 0.00 C ATOM 0 H PHE A 16 88.404 -7.158 -4.188 1.00 0.00 H new ATOM 0 HA PHE A 16 89.805 -7.880 -1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 16 87.480 -6.958 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 16 86.929 -8.434 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 16 87.046 -10.624 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 16 87.828 -6.845 0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 16 86.710 -11.666 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 16 87.486 -7.885 2.673 1.00 0.00 H new ATOM 0 HZ PHE A 16 86.926 -10.296 2.843 1.00 0.00 H new ATOM 246 N HIS A 17 88.801 -10.377 -3.692 1.00 0.00 N ATOM 247 CA HIS A 17 88.982 -11.836 -3.909 1.00 0.00 C ATOM 248 C HIS A 17 90.470 -12.154 -4.002 1.00 0.00 C ATOM 249 O HIS A 17 90.938 -13.155 -3.496 1.00 0.00 O ATOM 250 CB HIS A 17 88.293 -12.231 -5.216 1.00 0.00 C ATOM 251 CG HIS A 17 88.478 -13.701 -5.468 1.00 0.00 C ATOM 252 ND1 HIS A 17 87.475 -14.630 -5.221 1.00 0.00 N ATOM 253 CD2 HIS A 17 89.542 -14.420 -5.955 1.00 0.00 C ATOM 254 CE1 HIS A 17 87.953 -15.841 -5.559 1.00 0.00 C ATOM 255 NE2 HIS A 17 89.207 -15.766 -6.012 1.00 0.00 N ATOM 0 H HIS A 17 88.266 -9.898 -4.416 1.00 0.00 H new ATOM 0 HA HIS A 17 88.546 -12.392 -3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 17 87.231 -11.993 -5.163 1.00 0.00 H new ATOM 0 HB3 HIS A 17 88.708 -11.656 -6.044 1.00 0.00 H new ATOM 0 HD1 HIS A 17 86.546 -14.430 -4.851 1.00 0.00 H new ATOM 0 HD2 HIS A 17 90.494 -14.002 -6.249 1.00 0.00 H new ATOM 0 HE1 HIS A 17 87.392 -16.760 -5.475 1.00 0.00 H new ATOM 264 N LYS A 18 91.215 -11.311 -4.657 1.00 0.00 N ATOM 265 CA LYS A 18 92.675 -11.558 -4.800 1.00 0.00 C ATOM 266 C LYS A 18 93.333 -11.589 -3.419 1.00 0.00 C ATOM 267 O LYS A 18 94.124 -12.461 -3.118 1.00 0.00 O ATOM 268 CB LYS A 18 93.293 -10.443 -5.651 1.00 0.00 C ATOM 269 CG LYS A 18 94.762 -10.762 -5.937 1.00 0.00 C ATOM 270 CD LYS A 18 95.394 -9.618 -6.741 1.00 0.00 C ATOM 271 CE LYS A 18 94.700 -9.475 -8.106 1.00 0.00 C ATOM 272 NZ LYS A 18 93.523 -8.570 -7.974 1.00 0.00 N ATOM 0 H LYS A 18 90.875 -10.458 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 18 92.838 -12.519 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 18 92.745 -10.341 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 18 93.213 -9.489 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 18 95.302 -10.903 -5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 18 94.839 -11.696 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 18 95.311 -8.685 -6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 18 96.457 -9.810 -6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 18 95.399 -9.075 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 18 94.381 -10.453 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 92.652 -9.102 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 93.483 -8.191 -7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 93.612 -7.784 -8.650 1.00 0.00 H new ATOM 286 N TYR A 19 93.012 -10.645 -2.575 1.00 0.00 N ATOM 287 CA TYR A 19 93.621 -10.628 -1.208 1.00 0.00 C ATOM 288 C TYR A 19 93.066 -11.773 -0.363 1.00 0.00 C ATOM 289 O TYR A 19 93.775 -12.397 0.402 1.00 0.00 O ATOM 290 CB TYR A 19 93.305 -9.303 -0.510 1.00 0.00 C ATOM 291 CG TYR A 19 94.145 -8.190 -1.089 1.00 0.00 C ATOM 292 CD1 TYR A 19 95.470 -8.026 -0.669 1.00 0.00 C ATOM 293 CD2 TYR A 19 93.598 -7.319 -2.037 1.00 0.00 C ATOM 294 CE1 TYR A 19 96.250 -6.989 -1.196 1.00 0.00 C ATOM 295 CE2 TYR A 19 94.371 -6.283 -2.567 1.00 0.00 C ATOM 296 CZ TYR A 19 95.701 -6.116 -2.146 1.00 0.00 C ATOM 297 OH TYR A 19 96.467 -5.095 -2.668 1.00 0.00 O ATOM 0 H TYR A 19 92.358 -9.887 -2.769 1.00 0.00 H new ATOM 0 HA TYR A 19 94.700 -10.744 -1.314 1.00 0.00 H new ATOM 0 HB2 TYR A 19 92.247 -9.067 -0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 19 93.496 -9.393 0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 19 95.891 -8.700 0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 19 92.576 -7.448 -2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 19 97.272 -6.862 -0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 19 93.947 -5.612 -3.299 1.00 0.00 H new ATOM 0 HH TYR A 19 96.017 -4.717 -3.452 1.00 0.00 H new ATOM 307 N SER A 20 91.797 -12.037 -0.475 1.00 0.00 N ATOM 308 CA SER A 20 91.186 -13.120 0.342 1.00 0.00 C ATOM 309 C SER A 20 91.768 -14.471 -0.080 1.00 0.00 C ATOM 310 O SER A 20 91.552 -15.479 0.563 1.00 0.00 O ATOM 311 CB SER A 20 89.661 -13.096 0.147 1.00 0.00 C ATOM 312 OG SER A 20 89.029 -13.193 1.416 1.00 0.00 O ATOM 0 H SER A 20 91.154 -11.549 -1.098 1.00 0.00 H new ATOM 0 HA SER A 20 91.409 -12.965 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 20 89.360 -12.176 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 20 89.350 -13.923 -0.492 1.00 0.00 H new ATOM 0 HG SER A 20 89.324 -14.012 1.867 1.00 0.00 H new ATOM 318 N GLY A 21 92.500 -14.499 -1.158 1.00 0.00 N ATOM 319 CA GLY A 21 93.093 -15.790 -1.626 1.00 0.00 C ATOM 320 C GLY A 21 94.455 -16.012 -0.964 1.00 0.00 C ATOM 321 O GLY A 21 95.055 -17.059 -1.102 1.00 0.00 O ATOM 0 H GLY A 21 92.715 -13.687 -1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 21 92.423 -16.616 -1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 21 93.204 -15.776 -2.710 1.00 0.00 H new ATOM 325 N LYS A 22 94.957 -15.036 -0.258 1.00 0.00 N ATOM 326 CA LYS A 22 96.287 -15.203 0.394 1.00 0.00 C ATOM 327 C LYS A 22 96.198 -16.261 1.499 1.00 0.00 C ATOM 328 O LYS A 22 97.095 -17.062 1.674 1.00 0.00 O ATOM 329 CB LYS A 22 96.731 -13.869 1.001 1.00 0.00 C ATOM 330 CG LYS A 22 97.064 -12.882 -0.121 1.00 0.00 C ATOM 331 CD LYS A 22 97.775 -11.656 0.456 1.00 0.00 C ATOM 332 CE LYS A 22 96.884 -10.970 1.493 1.00 0.00 C ATOM 333 NZ LYS A 22 97.393 -9.591 1.740 1.00 0.00 N ATOM 0 H LYS A 22 94.506 -14.134 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 22 97.013 -15.525 -0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 22 95.941 -13.464 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 22 97.603 -14.019 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 22 97.698 -13.364 -0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 22 96.150 -12.577 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 22 98.717 -11.955 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 22 98.019 -10.957 -0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 22 95.854 -10.932 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 22 96.880 -11.541 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 96.673 -9.042 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 98.262 -9.638 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 97.600 -9.129 0.831 1.00 0.00 H new ATOM 347 N GLU A 23 95.127 -16.269 2.251 1.00 0.00 N ATOM 348 CA GLU A 23 94.986 -17.274 3.354 1.00 0.00 C ATOM 349 C GLU A 23 94.129 -18.448 2.873 1.00 0.00 C ATOM 350 O GLU A 23 94.046 -19.475 3.516 1.00 0.00 O ATOM 351 CB GLU A 23 94.306 -16.598 4.551 1.00 0.00 C ATOM 352 CG GLU A 23 94.350 -17.521 5.773 1.00 0.00 C ATOM 353 CD GLU A 23 93.719 -16.810 6.971 1.00 0.00 C ATOM 354 OE1 GLU A 23 93.463 -15.622 6.861 1.00 0.00 O ATOM 355 OE2 GLU A 23 93.504 -17.465 7.977 1.00 0.00 O ATOM 0 H GLU A 23 94.343 -15.624 2.151 1.00 0.00 H new ATOM 0 HA GLU A 23 95.968 -17.646 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 23 94.806 -15.656 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 23 93.272 -16.358 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 23 93.815 -18.447 5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 23 95.381 -17.793 6.000 1.00 0.00 H new ATOM 362 N GLY A 24 93.493 -18.311 1.742 1.00 0.00 N ATOM 363 CA GLY A 24 92.643 -19.424 1.223 1.00 0.00 C ATOM 364 C GLY A 24 91.217 -19.262 1.753 1.00 0.00 C ATOM 365 O GLY A 24 90.310 -19.960 1.342 1.00 0.00 O ATOM 0 H GLY A 24 93.524 -17.478 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 24 92.641 -19.417 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 24 93.052 -20.385 1.535 1.00 0.00 H new ATOM 369 N ASP A 25 91.009 -18.340 2.661 1.00 0.00 N ATOM 370 CA ASP A 25 89.639 -18.121 3.218 1.00 0.00 C ATOM 371 C ASP A 25 89.012 -16.923 2.507 1.00 0.00 C ATOM 372 O ASP A 25 89.498 -15.813 2.596 1.00 0.00 O ATOM 373 CB ASP A 25 89.741 -17.831 4.718 1.00 0.00 C ATOM 374 CG ASP A 25 90.161 -19.105 5.455 1.00 0.00 C ATOM 375 OD1 ASP A 25 90.042 -20.169 4.870 1.00 0.00 O ATOM 376 OD2 ASP A 25 90.593 -18.994 6.590 1.00 0.00 O ATOM 0 H ASP A 25 91.731 -17.728 3.041 1.00 0.00 H new ATOM 0 HA ASP A 25 89.025 -19.008 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 25 90.467 -17.038 4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 25 88.782 -17.478 5.097 1.00 0.00 H new ATOM 381 N LYS A 26 87.949 -17.148 1.779 1.00 0.00 N ATOM 382 CA LYS A 26 87.292 -16.035 1.026 1.00 0.00 C ATOM 383 C LYS A 26 86.064 -15.525 1.778 1.00 0.00 C ATOM 384 O LYS A 26 85.326 -14.698 1.280 1.00 0.00 O ATOM 385 CB LYS A 26 86.864 -16.555 -0.348 1.00 0.00 C ATOM 386 CG LYS A 26 88.098 -17.042 -1.109 1.00 0.00 C ATOM 387 CD LYS A 26 87.677 -17.564 -2.485 1.00 0.00 C ATOM 388 CE LYS A 26 88.910 -18.053 -3.249 1.00 0.00 C ATOM 389 NZ LYS A 26 89.829 -16.907 -3.502 1.00 0.00 N ATOM 0 H LYS A 26 87.504 -18.060 1.672 1.00 0.00 H new ATOM 0 HA LYS A 26 87.999 -15.212 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 26 86.147 -17.368 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 26 86.364 -15.766 -0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 26 88.814 -16.228 -1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 26 88.597 -17.831 -0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 26 86.960 -18.377 -2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 26 87.178 -16.775 -3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 26 89.424 -18.824 -2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 26 88.609 -18.506 -4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 89.946 -16.776 -4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 89.428 -16.042 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 90.755 -17.102 -3.070 1.00 0.00 H new ATOM 403 N PHE A 27 85.823 -16.012 2.967 1.00 0.00 N ATOM 404 CA PHE A 27 84.624 -15.552 3.734 1.00 0.00 C ATOM 405 C PHE A 27 85.009 -14.442 4.717 1.00 0.00 C ATOM 406 O PHE A 27 84.164 -13.905 5.404 1.00 0.00 O ATOM 407 CB PHE A 27 84.041 -16.735 4.512 1.00 0.00 C ATOM 408 CG PHE A 27 83.619 -17.818 3.546 1.00 0.00 C ATOM 409 CD1 PHE A 27 82.338 -17.793 2.979 1.00 0.00 C ATOM 410 CD2 PHE A 27 84.508 -18.850 3.220 1.00 0.00 C ATOM 411 CE1 PHE A 27 81.947 -18.799 2.088 1.00 0.00 C ATOM 412 CE2 PHE A 27 84.115 -19.855 2.328 1.00 0.00 C ATOM 413 CZ PHE A 27 82.836 -19.830 1.761 1.00 0.00 C ATOM 0 H PHE A 27 86.401 -16.706 3.440 1.00 0.00 H new ATOM 0 HA PHE A 27 83.885 -15.161 3.034 1.00 0.00 H new ATOM 0 HB2 PHE A 27 84.782 -17.125 5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 27 83.186 -16.408 5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 27 81.652 -16.997 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 27 85.496 -18.871 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 27 80.959 -18.780 1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 27 84.800 -20.651 2.077 1.00 0.00 H new ATOM 0 HZ PHE A 27 82.535 -20.605 1.072 1.00 0.00 H new ATOM 423 N LYS A 28 86.268 -14.081 4.805 1.00 0.00 N ATOM 424 CA LYS A 28 86.637 -12.996 5.769 1.00 0.00 C ATOM 425 C LYS A 28 88.009 -12.386 5.440 1.00 0.00 C ATOM 426 O LYS A 28 88.831 -12.988 4.780 1.00 0.00 O ATOM 427 CB LYS A 28 86.655 -13.567 7.189 1.00 0.00 C ATOM 428 CG LYS A 28 87.739 -14.643 7.321 1.00 0.00 C ATOM 429 CD LYS A 28 87.695 -15.221 8.738 1.00 0.00 C ATOM 430 CE LYS A 28 88.802 -16.263 8.911 1.00 0.00 C ATOM 431 NZ LYS A 28 88.673 -16.899 10.254 1.00 0.00 N ATOM 0 H LYS A 28 87.038 -14.479 4.266 1.00 0.00 H new ATOM 0 HA LYS A 28 85.893 -12.203 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 28 86.839 -12.767 7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 28 85.681 -13.993 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 28 87.578 -15.432 6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 28 88.721 -14.215 7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 28 87.818 -14.422 9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 28 86.722 -15.677 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 28 88.731 -17.019 8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.780 -15.792 8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 89.424 -17.608 10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 88.761 -16.172 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.745 -17.361 10.332 1.00 0.00 H new ATOM 445 N LEU A 29 88.259 -11.192 5.937 1.00 0.00 N ATOM 446 CA LEU A 29 89.580 -10.506 5.711 1.00 0.00 C ATOM 447 C LEU A 29 90.063 -10.000 7.081 1.00 0.00 C ATOM 448 O LEU A 29 89.291 -9.504 7.876 1.00 0.00 O ATOM 449 CB LEU A 29 89.398 -9.317 4.711 1.00 0.00 C ATOM 450 CG LEU A 29 90.193 -9.491 3.400 1.00 0.00 C ATOM 451 CD1 LEU A 29 91.657 -9.144 3.661 1.00 0.00 C ATOM 452 CD2 LEU A 29 90.056 -10.916 2.826 1.00 0.00 C ATOM 0 H LEU A 29 87.595 -10.657 6.497 1.00 0.00 H new ATOM 0 HA LEU A 29 90.312 -11.188 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 29 88.339 -9.210 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 29 89.710 -8.393 5.197 1.00 0.00 H new ATOM 0 HG LEU A 29 89.783 -8.815 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 29 92.229 -9.263 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 29 91.731 -8.112 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 29 92.058 -9.809 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 29 90.631 -10.994 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 29 90.433 -11.638 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 29 89.007 -11.125 2.618 1.00 0.00 H new ATOM 464 N ASN A 30 91.322 -10.129 7.372 1.00 0.00 N ATOM 465 CA ASN A 30 91.826 -9.655 8.692 1.00 0.00 C ATOM 466 C ASN A 30 92.093 -8.151 8.625 1.00 0.00 C ATOM 467 O ASN A 30 92.668 -7.655 7.680 1.00 0.00 O ATOM 468 CB ASN A 30 93.130 -10.381 9.035 1.00 0.00 C ATOM 469 CG ASN A 30 92.835 -11.849 9.347 1.00 0.00 C ATOM 470 OD1 ASN A 30 91.739 -12.189 9.746 1.00 0.00 O ATOM 471 ND2 ASN A 30 93.774 -12.740 9.182 1.00 0.00 N ATOM 0 H ASN A 30 92.025 -10.540 6.758 1.00 0.00 H new ATOM 0 HA ASN A 30 91.079 -9.863 9.458 1.00 0.00 H new ATOM 0 HB2 ASN A 30 93.828 -10.309 8.201 1.00 0.00 H new ATOM 0 HB3 ASN A 30 93.608 -9.906 9.892 1.00 0.00 H new ATOM 0 HD21 ASN A 30 93.588 -13.721 9.388 1.00 0.00 H new ATOM 0 HD22 ASN A 30 94.694 -12.455 8.847 1.00 0.00 H new ATOM 478 N LYS A 31 91.691 -7.421 9.625 1.00 0.00 N ATOM 479 CA LYS A 31 91.935 -5.954 9.616 1.00 0.00 C ATOM 480 C LYS A 31 93.429 -5.711 9.433 1.00 0.00 C ATOM 481 O LYS A 31 93.841 -4.696 8.934 1.00 0.00 O ATOM 482 CB LYS A 31 91.460 -5.322 10.928 1.00 0.00 C ATOM 483 CG LYS A 31 89.960 -5.562 11.109 1.00 0.00 C ATOM 484 CD LYS A 31 89.469 -4.805 12.345 1.00 0.00 C ATOM 485 CE LYS A 31 87.982 -5.092 12.559 1.00 0.00 C ATOM 486 NZ LYS A 31 87.444 -4.172 13.601 1.00 0.00 N ATOM 0 H LYS A 31 91.204 -7.776 10.448 1.00 0.00 H new ATOM 0 HA LYS A 31 91.378 -5.497 8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 31 92.009 -5.749 11.767 1.00 0.00 H new ATOM 0 HB3 LYS A 31 91.668 -4.252 10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 31 89.418 -5.227 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 31 89.762 -6.628 11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 31 90.039 -5.110 13.222 1.00 0.00 H new ATOM 0 HD3 LYS A 31 89.629 -3.734 12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 31 87.437 -4.959 11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 31 87.841 -6.128 12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 86.433 -4.366 13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 87.958 -4.320 14.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 87.566 -3.187 13.291 1.00 0.00 H new ATOM 500 N SER A 32 94.253 -6.644 9.801 1.00 0.00 N ATOM 501 CA SER A 32 95.708 -6.435 9.597 1.00 0.00 C ATOM 502 C SER A 32 95.919 -6.243 8.109 1.00 0.00 C ATOM 503 O SER A 32 96.672 -5.394 7.675 1.00 0.00 O ATOM 504 CB SER A 32 96.502 -7.641 10.067 1.00 0.00 C ATOM 505 OG SER A 32 96.359 -7.781 11.474 1.00 0.00 O ATOM 0 H SER A 32 93.988 -7.531 10.229 1.00 0.00 H new ATOM 0 HA SER A 32 96.048 -5.571 10.169 1.00 0.00 H new ATOM 0 HB2 SER A 32 96.150 -8.541 9.563 1.00 0.00 H new ATOM 0 HB3 SER A 32 97.554 -7.521 9.807 1.00 0.00 H new ATOM 0 HG SER A 32 96.870 -8.560 11.779 1.00 0.00 H new ATOM 511 N GLU A 33 95.218 -7.005 7.319 1.00 0.00 N ATOM 512 CA GLU A 33 95.334 -6.839 5.853 1.00 0.00 C ATOM 513 C GLU A 33 94.916 -5.424 5.545 1.00 0.00 C ATOM 514 O GLU A 33 95.282 -4.869 4.541 1.00 0.00 O ATOM 515 CB GLU A 33 94.449 -7.843 5.114 1.00 0.00 C ATOM 516 CG GLU A 33 95.007 -9.256 5.311 1.00 0.00 C ATOM 517 CD GLU A 33 96.361 -9.373 4.611 1.00 0.00 C ATOM 518 OE1 GLU A 33 96.643 -8.537 3.768 1.00 0.00 O ATOM 519 OE2 GLU A 33 97.096 -10.293 4.932 1.00 0.00 O ATOM 0 H GLU A 33 94.573 -7.732 7.628 1.00 0.00 H new ATOM 0 HA GLU A 33 96.356 -7.025 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 33 93.427 -7.788 5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 33 94.412 -7.599 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 33 95.116 -9.470 6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 33 94.312 -9.992 4.907 1.00 0.00 H new ATOM 526 N LEU A 34 94.172 -4.806 6.415 1.00 0.00 N ATOM 527 CA LEU A 34 93.806 -3.402 6.127 1.00 0.00 C ATOM 528 C LEU A 34 95.109 -2.633 6.027 1.00 0.00 C ATOM 529 O LEU A 34 95.271 -1.792 5.184 1.00 0.00 O ATOM 530 CB LEU A 34 92.950 -2.790 7.250 1.00 0.00 C ATOM 531 CG LEU A 34 92.425 -1.398 6.828 1.00 0.00 C ATOM 532 CD1 LEU A 34 91.139 -1.546 6.001 1.00 0.00 C ATOM 533 CD2 LEU A 34 92.134 -0.547 8.082 1.00 0.00 C ATOM 0 H LEU A 34 93.813 -5.199 7.285 1.00 0.00 H new ATOM 0 HA LEU A 34 93.218 -3.355 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 34 92.112 -3.449 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 34 93.542 -2.702 8.161 1.00 0.00 H new ATOM 0 HG LEU A 34 93.185 -0.905 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 34 90.778 -0.560 5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.347 -2.135 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.378 -2.048 6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 34 91.764 0.433 7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.382 -1.045 8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.050 -0.426 8.660 1.00 0.00 H new ATOM 545 N LYS A 35 96.058 -2.918 6.870 1.00 0.00 N ATOM 546 CA LYS A 35 97.338 -2.175 6.759 1.00 0.00 C ATOM 547 C LYS A 35 98.075 -2.602 5.488 1.00 0.00 C ATOM 548 O LYS A 35 98.502 -1.780 4.701 1.00 0.00 O ATOM 549 CB LYS A 35 98.212 -2.443 7.996 1.00 0.00 C ATOM 550 CG LYS A 35 99.625 -1.826 7.816 1.00 0.00 C ATOM 551 CD LYS A 35 100.639 -2.909 7.412 1.00 0.00 C ATOM 552 CE LYS A 35 102.007 -2.269 7.171 1.00 0.00 C ATOM 553 NZ LYS A 35 102.984 -3.324 6.777 1.00 0.00 N ATOM 0 H LYS A 35 96.006 -3.615 7.613 1.00 0.00 H new ATOM 0 HA LYS A 35 97.128 -1.107 6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 35 97.736 -2.021 8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 35 98.297 -3.517 8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 35 99.594 -1.047 7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 35 99.942 -1.351 8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 35 100.712 -3.663 8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 35 100.301 -3.419 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 35 101.935 -1.514 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 35 102.347 -1.761 8.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 103.915 -2.891 6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 103.059 -4.029 7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 102.660 -3.789 5.905 1.00 0.00 H new ATOM 567 N GLU A 36 98.236 -3.882 5.288 1.00 0.00 N ATOM 568 CA GLU A 36 98.958 -4.366 4.072 1.00 0.00 C ATOM 569 C GLU A 36 98.134 -4.124 2.813 1.00 0.00 C ATOM 570 O GLU A 36 98.658 -3.771 1.776 1.00 0.00 O ATOM 571 CB GLU A 36 99.233 -5.869 4.215 1.00 0.00 C ATOM 572 CG GLU A 36 99.790 -6.436 2.902 1.00 0.00 C ATOM 573 CD GLU A 36 100.285 -7.863 3.137 1.00 0.00 C ATOM 574 OE1 GLU A 36 100.204 -8.319 4.265 1.00 0.00 O ATOM 575 OE2 GLU A 36 100.737 -8.476 2.184 1.00 0.00 O ATOM 0 H GLU A 36 97.900 -4.615 5.913 1.00 0.00 H new ATOM 0 HA GLU A 36 99.894 -3.815 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 36 99.944 -6.040 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.314 -6.390 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 36 99.018 -6.429 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 36 100.606 -5.811 2.540 1.00 0.00 H new ATOM 582 N LEU A 37 96.861 -4.333 2.881 1.00 0.00 N ATOM 583 CA LEU A 37 96.026 -4.141 1.678 1.00 0.00 C ATOM 584 C LEU A 37 95.976 -2.661 1.351 1.00 0.00 C ATOM 585 O LEU A 37 95.990 -2.272 0.199 1.00 0.00 O ATOM 586 CB LEU A 37 94.613 -4.688 1.952 1.00 0.00 C ATOM 587 CG LEU A 37 93.775 -4.758 0.647 1.00 0.00 C ATOM 588 CD1 LEU A 37 92.747 -5.891 0.751 1.00 0.00 C ATOM 589 CD2 LEU A 37 93.017 -3.443 0.412 1.00 0.00 C ATOM 0 H LEU A 37 96.360 -4.629 3.719 1.00 0.00 H new ATOM 0 HA LEU A 37 96.447 -4.678 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 37 94.684 -5.681 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 37 94.108 -4.051 2.678 1.00 0.00 H new ATOM 0 HG LEU A 37 94.460 -4.936 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 37 92.161 -5.936 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 37 93.264 -6.839 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 37 92.084 -5.704 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 37 92.437 -3.517 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 37 92.346 -3.255 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 37 93.730 -2.622 0.327 1.00 0.00 H new ATOM 601 N LEU A 38 95.924 -1.818 2.343 1.00 0.00 N ATOM 602 CA LEU A 38 95.872 -0.355 2.025 1.00 0.00 C ATOM 603 C LEU A 38 97.251 0.113 1.580 1.00 0.00 C ATOM 604 O LEU A 38 97.383 0.890 0.662 1.00 0.00 O ATOM 605 CB LEU A 38 95.407 0.459 3.244 1.00 0.00 C ATOM 606 CG LEU A 38 93.861 0.422 3.396 1.00 0.00 C ATOM 607 CD1 LEU A 38 93.227 1.523 2.526 1.00 0.00 C ATOM 608 CD2 LEU A 38 93.270 -0.945 2.991 1.00 0.00 C ATOM 0 H LEU A 38 95.915 -2.062 3.333 1.00 0.00 H new ATOM 0 HA LEU A 38 95.153 -0.197 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 38 95.872 0.063 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 38 95.739 1.492 3.141 1.00 0.00 H new ATOM 0 HG LEU A 38 93.633 0.589 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 38 92.143 1.494 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 38 93.598 2.497 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 38 93.491 1.358 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 38 92.187 -0.924 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 38 93.513 -1.152 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 38 93.692 -1.726 3.624 1.00 0.00 H new ATOM 620 N THR A 39 98.281 -0.347 2.215 1.00 0.00 N ATOM 621 CA THR A 39 99.636 0.094 1.806 1.00 0.00 C ATOM 622 C THR A 39 99.986 -0.497 0.439 1.00 0.00 C ATOM 623 O THR A 39 100.581 0.156 -0.395 1.00 0.00 O ATOM 624 CB THR A 39 100.660 -0.381 2.831 1.00 0.00 C ATOM 625 OG1 THR A 39 100.349 0.171 4.102 1.00 0.00 O ATOM 626 CG2 THR A 39 102.047 0.080 2.396 1.00 0.00 C ATOM 0 H THR A 39 98.247 -1.004 2.994 1.00 0.00 H new ATOM 0 HA THR A 39 99.651 1.182 1.746 1.00 0.00 H new ATOM 0 HB THR A 39 100.639 -1.469 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 39 99.657 -0.372 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 39 102.787 -0.255 3.123 1.00 0.00 H new ATOM 0 HG22 THR A 39 102.281 -0.343 1.419 1.00 0.00 H new ATOM 0 HG23 THR A 39 102.066 1.168 2.334 1.00 0.00 H new ATOM 634 N ARG A 40 99.631 -1.729 0.204 1.00 0.00 N ATOM 635 CA ARG A 40 99.954 -2.358 -1.105 1.00 0.00 C ATOM 636 C ARG A 40 99.040 -1.815 -2.195 1.00 0.00 C ATOM 637 O ARG A 40 99.465 -1.584 -3.309 1.00 0.00 O ATOM 638 CB ARG A 40 99.814 -3.879 -1.013 1.00 0.00 C ATOM 639 CG ARG A 40 100.940 -4.442 -0.139 1.00 0.00 C ATOM 640 CD ARG A 40 100.920 -5.969 -0.201 1.00 0.00 C ATOM 641 NE ARG A 40 101.354 -6.417 -1.555 1.00 0.00 N ATOM 642 CZ ARG A 40 101.703 -7.660 -1.748 1.00 0.00 C ATOM 643 NH1 ARG A 40 101.662 -8.509 -0.757 1.00 0.00 N ATOM 644 NH2 ARG A 40 102.093 -8.052 -2.931 1.00 0.00 N ATOM 0 H ARG A 40 99.131 -2.327 0.862 1.00 0.00 H new ATOM 0 HA ARG A 40 100.986 -2.114 -1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 40 98.844 -4.141 -0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 40 99.857 -4.320 -2.009 1.00 0.00 H new ATOM 0 HG2 ARG A 40 101.904 -4.066 -0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 40 100.817 -4.108 0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 40 101.581 -6.383 0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 40 99.917 -6.339 0.012 1.00 0.00 H new ATOM 0 HE ARG A 40 101.378 -5.753 -2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 40 101.358 -8.201 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 40 101.934 -9.481 -0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 40 102.125 -7.387 -3.704 1.00 0.00 H new ATOM 0 HH22 ARG A 40 102.366 -9.023 -3.082 1.00 0.00 H new ATOM 658 N GLU A 41 97.782 -1.619 -1.898 1.00 0.00 N ATOM 659 CA GLU A 41 96.848 -1.104 -2.944 1.00 0.00 C ATOM 660 C GLU A 41 96.778 0.406 -2.855 1.00 0.00 C ATOM 661 O GLU A 41 96.414 1.074 -3.804 1.00 0.00 O ATOM 662 CB GLU A 41 95.458 -1.708 -2.722 1.00 0.00 C ATOM 663 CG GLU A 41 94.554 -1.394 -3.915 1.00 0.00 C ATOM 664 CD GLU A 41 95.056 -2.140 -5.154 1.00 0.00 C ATOM 665 OE1 GLU A 41 95.785 -3.103 -4.985 1.00 0.00 O ATOM 666 OE2 GLU A 41 94.708 -1.731 -6.249 1.00 0.00 O ATOM 0 H GLU A 41 97.363 -1.791 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 41 97.208 -1.387 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 41 95.538 -2.787 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 41 95.020 -1.307 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 41 93.528 -1.687 -3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 41 94.545 -0.321 -4.104 1.00 0.00 H new ATOM 673 N LEU A 42 97.151 0.959 -1.736 1.00 0.00 N ATOM 674 CA LEU A 42 97.131 2.442 -1.596 1.00 0.00 C ATOM 675 C LEU A 42 98.341 2.875 -0.746 1.00 0.00 C ATOM 676 O LEU A 42 98.215 3.076 0.443 1.00 0.00 O ATOM 677 CB LEU A 42 95.830 2.890 -0.903 1.00 0.00 C ATOM 678 CG LEU A 42 94.636 2.815 -1.877 1.00 0.00 C ATOM 679 CD1 LEU A 42 93.326 2.781 -1.079 1.00 0.00 C ATOM 680 CD2 LEU A 42 94.623 4.041 -2.808 1.00 0.00 C ATOM 0 H LEU A 42 97.469 0.449 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 42 97.181 2.903 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 42 95.638 2.258 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 42 95.941 3.910 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 42 94.733 1.911 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 42 92.482 2.728 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 42 93.319 1.907 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 42 93.245 3.684 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 42 93.774 3.972 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 42 94.537 4.950 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 42 95.548 4.071 -3.384 1.00 0.00 H new ATOM 692 N PRO A 43 99.511 2.996 -1.329 1.00 0.00 N ATOM 693 CA PRO A 43 100.720 3.388 -0.550 1.00 0.00 C ATOM 694 C PRO A 43 100.768 4.897 -0.234 1.00 0.00 C ATOM 695 O PRO A 43 100.287 5.340 0.790 1.00 0.00 O ATOM 696 CB PRO A 43 101.858 2.965 -1.501 1.00 0.00 C ATOM 697 CG PRO A 43 101.259 2.775 -2.910 1.00 0.00 C ATOM 698 CD PRO A 43 99.722 2.751 -2.784 1.00 0.00 C ATOM 0 HA PRO A 43 100.764 2.923 0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 43 102.641 3.723 -1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 43 102.319 2.040 -1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 43 101.573 3.585 -3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 43 101.618 1.846 -3.353 1.00 0.00 H new ATOM 0 HD2 PRO A 43 99.253 3.521 -3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 43 99.304 1.795 -3.099 1.00 0.00 H new ATOM 706 N SER A 44 101.358 5.678 -1.099 1.00 0.00 N ATOM 707 CA SER A 44 101.456 7.148 -0.851 1.00 0.00 C ATOM 708 C SER A 44 100.063 7.785 -0.884 1.00 0.00 C ATOM 709 O SER A 44 99.755 8.666 -0.109 1.00 0.00 O ATOM 710 CB SER A 44 102.335 7.779 -1.931 1.00 0.00 C ATOM 711 OG SER A 44 101.688 7.664 -3.190 1.00 0.00 O ATOM 0 H SER A 44 101.779 5.360 -1.972 1.00 0.00 H new ATOM 0 HA SER A 44 101.896 7.319 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 44 102.520 8.828 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 44 103.305 7.284 -1.961 1.00 0.00 H new ATOM 0 HG SER A 44 102.249 8.069 -3.884 1.00 0.00 H new ATOM 717 N PHE A 45 99.228 7.344 -1.781 1.00 0.00 N ATOM 718 CA PHE A 45 97.848 7.909 -1.891 1.00 0.00 C ATOM 719 C PHE A 45 97.112 7.762 -0.561 1.00 0.00 C ATOM 720 O PHE A 45 96.004 8.230 -0.391 1.00 0.00 O ATOM 721 CB PHE A 45 97.092 7.112 -2.939 1.00 0.00 C ATOM 722 CG PHE A 45 97.661 7.403 -4.307 1.00 0.00 C ATOM 723 CD1 PHE A 45 97.173 8.484 -5.049 1.00 0.00 C ATOM 724 CD2 PHE A 45 98.671 6.590 -4.834 1.00 0.00 C ATOM 725 CE1 PHE A 45 97.694 8.753 -6.320 1.00 0.00 C ATOM 726 CE2 PHE A 45 99.193 6.860 -6.105 1.00 0.00 C ATOM 727 CZ PHE A 45 98.705 7.942 -6.848 1.00 0.00 C ATOM 0 H PHE A 45 99.442 6.607 -2.453 1.00 0.00 H new ATOM 0 HA PHE A 45 97.908 8.964 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 45 97.166 6.046 -2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 45 96.033 7.370 -2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 45 96.394 9.111 -4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 45 99.047 5.755 -4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 45 97.316 9.586 -6.893 1.00 0.00 H new ATOM 0 HE2 PHE A 45 99.972 6.233 -6.513 1.00 0.00 H new ATOM 0 HZ PHE A 45 99.109 8.151 -7.828 1.00 0.00 H new ATOM 737 N LEU A 46 97.724 7.103 0.372 1.00 0.00 N ATOM 738 CA LEU A 46 97.090 6.881 1.716 1.00 0.00 C ATOM 739 C LEU A 46 97.800 7.764 2.722 1.00 0.00 C ATOM 740 O LEU A 46 97.207 8.596 3.379 1.00 0.00 O ATOM 741 CB LEU A 46 97.263 5.409 2.113 1.00 0.00 C ATOM 742 CG LEU A 46 96.440 5.071 3.373 1.00 0.00 C ATOM 743 CD1 LEU A 46 94.972 4.796 2.995 1.00 0.00 C ATOM 744 CD2 LEU A 46 97.033 3.823 4.055 1.00 0.00 C ATOM 0 H LEU A 46 98.654 6.697 0.270 1.00 0.00 H new ATOM 0 HA LEU A 46 96.028 7.123 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 46 96.951 4.768 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 46 98.317 5.201 2.297 1.00 0.00 H new ATOM 0 HG LEU A 46 96.478 5.919 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.403 4.559 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 46 94.547 5.680 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.926 3.954 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 46 96.452 3.584 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 46 97.001 2.981 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 46 98.067 4.020 4.339 1.00 0.00 H new ATOM 756 N GLY A 47 99.087 7.620 2.795 1.00 0.00 N ATOM 757 CA GLY A 47 99.891 8.477 3.700 1.00 0.00 C ATOM 758 C GLY A 47 100.202 9.720 2.893 1.00 0.00 C ATOM 759 O GLY A 47 101.166 10.422 3.122 1.00 0.00 O ATOM 0 H GLY A 47 99.624 6.937 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 47 99.336 8.723 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 47 100.804 7.972 4.013 1.00 0.00 H new ATOM 763 N LYS A 48 99.383 9.950 1.906 1.00 0.00 N ATOM 764 CA LYS A 48 99.583 11.097 0.999 1.00 0.00 C ATOM 765 C LYS A 48 99.774 12.388 1.804 1.00 0.00 C ATOM 766 O LYS A 48 100.648 13.184 1.523 1.00 0.00 O ATOM 767 CB LYS A 48 98.341 11.243 0.123 1.00 0.00 C ATOM 768 CG LYS A 48 98.607 12.253 -0.989 1.00 0.00 C ATOM 769 CD LYS A 48 97.432 12.228 -1.962 1.00 0.00 C ATOM 770 CE LYS A 48 97.675 13.226 -3.097 1.00 0.00 C ATOM 771 NZ LYS A 48 96.737 12.941 -4.221 1.00 0.00 N ATOM 0 H LYS A 48 98.568 9.375 1.691 1.00 0.00 H new ATOM 0 HA LYS A 48 100.470 10.924 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 48 98.073 10.278 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 48 97.495 11.569 0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 48 98.730 13.252 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 48 99.533 12.008 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 48 97.307 11.225 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 48 96.509 12.477 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 48 97.529 14.244 -2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 48 98.706 13.155 -3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 96.903 13.619 -4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 96.897 11.974 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 95.756 13.030 -3.886 1.00 0.00 H new ATOM 785 N ARG A 49 98.949 12.608 2.794 1.00 0.00 N ATOM 786 CA ARG A 49 99.067 13.855 3.608 1.00 0.00 C ATOM 787 C ARG A 49 100.183 13.713 4.647 1.00 0.00 C ATOM 788 O ARG A 49 100.567 12.623 5.021 1.00 0.00 O ATOM 789 CB ARG A 49 97.741 14.128 4.319 1.00 0.00 C ATOM 790 CG ARG A 49 96.667 14.455 3.280 1.00 0.00 C ATOM 791 CD ARG A 49 95.370 14.838 3.989 1.00 0.00 C ATOM 792 NE ARG A 49 95.544 16.162 4.648 1.00 0.00 N ATOM 793 CZ ARG A 49 94.501 16.830 5.053 1.00 0.00 C ATOM 794 NH1 ARG A 49 93.306 16.336 4.879 1.00 0.00 N ATOM 795 NH2 ARG A 49 94.652 17.991 5.628 1.00 0.00 N ATOM 0 H ARG A 49 98.198 11.978 3.075 1.00 0.00 H new ATOM 0 HA ARG A 49 99.308 14.685 2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 49 97.444 13.258 4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 49 97.853 14.958 5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 49 97.000 15.274 2.642 1.00 0.00 H new ATOM 0 HG3 ARG A 49 96.499 13.595 2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 49 94.549 14.880 3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 49 95.109 14.082 4.729 1.00 0.00 H new ATOM 0 HE ARG A 49 96.479 16.546 4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 49 93.190 15.429 4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 49 92.488 16.857 5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 49 95.587 18.377 5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 49 93.835 18.513 5.945 1.00 0.00 H new ATOM 809 N THR A 50 100.699 14.817 5.119 1.00 0.00 N ATOM 810 CA THR A 50 101.786 14.766 6.140 1.00 0.00 C ATOM 811 C THR A 50 101.187 14.393 7.500 1.00 0.00 C ATOM 812 O THR A 50 99.987 14.396 7.678 1.00 0.00 O ATOM 813 CB THR A 50 102.462 16.137 6.236 1.00 0.00 C ATOM 814 OG1 THR A 50 101.566 17.064 6.831 1.00 0.00 O ATOM 815 CG2 THR A 50 102.846 16.619 4.836 1.00 0.00 C ATOM 0 H THR A 50 100.413 15.756 4.840 1.00 0.00 H new ATOM 0 HA THR A 50 102.525 14.019 5.850 1.00 0.00 H new ATOM 0 HB THR A 50 103.361 16.057 6.848 1.00 0.00 H new ATOM 0 HG1 THR A 50 101.998 17.941 6.895 1.00 0.00 H new ATOM 0 HG21 THR A 50 103.327 17.595 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 50 103.535 15.907 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 50 101.950 16.700 4.220 1.00 0.00 H new ATOM 823 N ASP A 51 102.021 14.063 8.455 1.00 0.00 N ATOM 824 CA ASP A 51 101.518 13.676 9.810 1.00 0.00 C ATOM 825 C ASP A 51 100.817 12.318 9.717 1.00 0.00 C ATOM 826 O ASP A 51 101.141 11.395 10.436 1.00 0.00 O ATOM 827 CB ASP A 51 100.544 14.741 10.332 1.00 0.00 C ATOM 828 CG ASP A 51 101.028 16.127 9.900 1.00 0.00 C ATOM 829 OD1 ASP A 51 102.229 16.341 9.906 1.00 0.00 O ATOM 830 OD2 ASP A 51 100.190 16.949 9.570 1.00 0.00 O ATOM 0 H ASP A 51 103.036 14.045 8.353 1.00 0.00 H new ATOM 0 HA ASP A 51 102.356 13.603 10.504 1.00 0.00 H new ATOM 0 HB2 ASP A 51 99.543 14.556 9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 51 100.479 14.689 11.419 1.00 0.00 H new ATOM 835 N GLU A 52 99.873 12.189 8.825 1.00 0.00 N ATOM 836 CA GLU A 52 99.162 10.887 8.657 1.00 0.00 C ATOM 837 C GLU A 52 98.611 10.402 9.999 1.00 0.00 C ATOM 838 O GLU A 52 98.324 9.235 10.173 1.00 0.00 O ATOM 839 CB GLU A 52 100.151 9.847 8.138 1.00 0.00 C ATOM 840 CG GLU A 52 100.740 10.313 6.808 1.00 0.00 C ATOM 841 CD GLU A 52 101.738 9.271 6.303 1.00 0.00 C ATOM 842 OE1 GLU A 52 102.009 8.335 7.038 1.00 0.00 O ATOM 843 OE2 GLU A 52 102.223 9.430 5.195 1.00 0.00 O ATOM 0 H GLU A 52 99.561 12.933 8.201 1.00 0.00 H new ATOM 0 HA GLU A 52 98.338 11.023 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 52 100.948 9.694 8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 52 99.650 8.888 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 52 99.945 10.457 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 52 101.235 11.276 6.934 1.00 0.00 H new ATOM 850 N ALA A 53 98.475 11.272 10.952 1.00 0.00 N ATOM 851 CA ALA A 53 97.958 10.836 12.281 1.00 0.00 C ATOM 852 C ALA A 53 96.555 10.237 12.132 1.00 0.00 C ATOM 853 O ALA A 53 96.286 9.152 12.600 1.00 0.00 O ATOM 854 CB ALA A 53 97.895 12.037 13.225 1.00 0.00 C ATOM 0 H ALA A 53 98.697 12.264 10.874 1.00 0.00 H new ATOM 0 HA ALA A 53 98.629 10.080 12.689 1.00 0.00 H new ATOM 0 HB1 ALA A 53 97.517 11.717 14.196 1.00 0.00 H new ATOM 0 HB2 ALA A 53 98.893 12.458 13.345 1.00 0.00 H new ATOM 0 HB3 ALA A 53 97.230 12.793 12.808 1.00 0.00 H new ATOM 860 N ALA A 54 95.662 10.937 11.488 1.00 0.00 N ATOM 861 CA ALA A 54 94.271 10.415 11.318 1.00 0.00 C ATOM 862 C ALA A 54 94.293 9.094 10.558 1.00 0.00 C ATOM 863 O ALA A 54 93.584 8.166 10.883 1.00 0.00 O ATOM 864 CB ALA A 54 93.454 11.434 10.540 1.00 0.00 C ATOM 0 H ALA A 54 95.834 11.851 11.070 1.00 0.00 H new ATOM 0 HA ALA A 54 93.826 10.248 12.299 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.437 11.063 10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 54 93.429 12.376 11.088 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.909 11.595 9.563 1.00 0.00 H new ATOM 870 N PHE A 55 95.108 8.988 9.559 1.00 0.00 N ATOM 871 CA PHE A 55 95.173 7.712 8.810 1.00 0.00 C ATOM 872 C PHE A 55 95.585 6.626 9.791 1.00 0.00 C ATOM 873 O PHE A 55 95.102 5.517 9.757 1.00 0.00 O ATOM 874 CB PHE A 55 96.209 7.825 7.696 1.00 0.00 C ATOM 875 CG PHE A 55 95.611 8.560 6.515 1.00 0.00 C ATOM 876 CD1 PHE A 55 95.708 9.953 6.428 1.00 0.00 C ATOM 877 CD2 PHE A 55 94.963 7.840 5.503 1.00 0.00 C ATOM 878 CE1 PHE A 55 95.157 10.626 5.332 1.00 0.00 C ATOM 879 CE2 PHE A 55 94.412 8.513 4.406 1.00 0.00 C ATOM 880 CZ PHE A 55 94.509 9.907 4.321 1.00 0.00 C ATOM 0 H PHE A 55 95.731 9.725 9.228 1.00 0.00 H new ATOM 0 HA PHE A 55 94.208 7.476 8.362 1.00 0.00 H new ATOM 0 HB2 PHE A 55 97.090 8.355 8.058 1.00 0.00 H new ATOM 0 HB3 PHE A 55 96.538 6.832 7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 55 96.208 10.509 7.207 1.00 0.00 H new ATOM 0 HD2 PHE A 55 94.888 6.765 5.569 1.00 0.00 H new ATOM 0 HE1 PHE A 55 95.232 11.701 5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 55 93.913 7.957 3.626 1.00 0.00 H new ATOM 0 HZ PHE A 55 94.084 10.427 3.476 1.00 0.00 H new ATOM 890 N GLN A 56 96.474 6.949 10.675 1.00 0.00 N ATOM 891 CA GLN A 56 96.915 5.945 11.675 1.00 0.00 C ATOM 892 C GLN A 56 95.773 5.682 12.645 1.00 0.00 C ATOM 893 O GLN A 56 95.688 4.635 13.242 1.00 0.00 O ATOM 894 CB GLN A 56 98.128 6.473 12.442 1.00 0.00 C ATOM 895 CG GLN A 56 99.342 6.510 11.513 1.00 0.00 C ATOM 896 CD GLN A 56 100.508 7.200 12.223 1.00 0.00 C ATOM 897 OE1 GLN A 56 100.306 8.093 13.022 1.00 0.00 O ATOM 898 NE2 GLN A 56 101.728 6.818 11.966 1.00 0.00 N ATOM 0 H GLN A 56 96.917 7.865 10.751 1.00 0.00 H new ATOM 0 HA GLN A 56 97.192 5.021 11.168 1.00 0.00 H new ATOM 0 HB2 GLN A 56 97.921 7.471 12.828 1.00 0.00 H new ATOM 0 HB3 GLN A 56 98.334 5.835 13.302 1.00 0.00 H new ATOM 0 HG2 GLN A 56 99.625 5.497 11.227 1.00 0.00 H new ATOM 0 HG3 GLN A 56 99.095 7.043 10.595 1.00 0.00 H new ATOM 0 HE21 GLN A 56 101.897 6.068 11.295 1.00 0.00 H new ATOM 0 HE22 GLN A 56 102.513 7.269 12.436 1.00 0.00 H new ATOM 907 N LYS A 57 94.886 6.622 12.797 1.00 0.00 N ATOM 908 CA LYS A 57 93.740 6.400 13.729 1.00 0.00 C ATOM 909 C LYS A 57 92.823 5.359 13.109 1.00 0.00 C ATOM 910 O LYS A 57 92.315 4.477 13.773 1.00 0.00 O ATOM 911 CB LYS A 57 92.955 7.697 13.969 1.00 0.00 C ATOM 912 CG LYS A 57 93.799 8.675 14.794 1.00 0.00 C ATOM 913 CD LYS A 57 93.005 9.971 15.034 1.00 0.00 C ATOM 914 CE LYS A 57 93.966 11.121 15.351 1.00 0.00 C ATOM 915 NZ LYS A 57 94.713 10.821 16.605 1.00 0.00 N ATOM 0 H LYS A 57 94.900 7.526 12.324 1.00 0.00 H new ATOM 0 HA LYS A 57 94.122 6.061 14.692 1.00 0.00 H new ATOM 0 HB2 LYS A 57 92.686 8.151 13.015 1.00 0.00 H new ATOM 0 HB3 LYS A 57 92.024 7.477 14.491 1.00 0.00 H new ATOM 0 HG2 LYS A 57 94.070 8.222 15.747 1.00 0.00 H new ATOM 0 HG3 LYS A 57 94.729 8.898 14.271 1.00 0.00 H new ATOM 0 HD2 LYS A 57 92.413 10.213 14.152 1.00 0.00 H new ATOM 0 HD3 LYS A 57 92.306 9.832 15.859 1.00 0.00 H new ATOM 0 HE2 LYS A 57 94.664 11.262 14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 57 93.410 12.052 15.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 95.222 11.672 16.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 94.045 10.525 17.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 95.395 10.056 16.428 1.00 0.00 H new ATOM 929 N LEU A 58 92.634 5.444 11.826 1.00 0.00 N ATOM 930 CA LEU A 58 91.780 4.448 11.136 1.00 0.00 C ATOM 931 C LEU A 58 92.542 3.131 11.178 1.00 0.00 C ATOM 932 O LEU A 58 91.984 2.077 11.398 1.00 0.00 O ATOM 933 CB LEU A 58 91.459 4.935 9.693 1.00 0.00 C ATOM 934 CG LEU A 58 92.334 4.246 8.622 1.00 0.00 C ATOM 935 CD1 LEU A 58 91.913 2.769 8.425 1.00 0.00 C ATOM 936 CD2 LEU A 58 92.196 5.021 7.301 1.00 0.00 C ATOM 0 H LEU A 58 93.036 6.163 11.224 1.00 0.00 H new ATOM 0 HA LEU A 58 90.812 4.315 11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 58 90.408 4.744 9.475 1.00 0.00 H new ATOM 0 HB3 LEU A 58 91.606 6.014 9.637 1.00 0.00 H new ATOM 0 HG LEU A 58 93.373 4.250 8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 58 92.545 2.309 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 58 92.025 2.230 9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 58 90.872 2.727 8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 58 92.809 4.546 6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 58 91.153 5.018 6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 58 92.529 6.049 7.446 1.00 0.00 H new ATOM 948 N MET A 59 93.830 3.198 11.002 1.00 0.00 N ATOM 949 CA MET A 59 94.651 1.967 11.074 1.00 0.00 C ATOM 950 C MET A 59 94.737 1.543 12.542 1.00 0.00 C ATOM 951 O MET A 59 94.776 0.370 12.856 1.00 0.00 O ATOM 952 CB MET A 59 96.043 2.239 10.437 1.00 0.00 C ATOM 953 CG MET A 59 97.184 2.125 11.462 1.00 0.00 C ATOM 954 SD MET A 59 98.758 2.482 10.644 1.00 0.00 S ATOM 955 CE MET A 59 99.802 2.432 12.121 1.00 0.00 C ATOM 0 H MET A 59 94.348 4.056 10.811 1.00 0.00 H new ATOM 0 HA MET A 59 94.204 1.148 10.511 1.00 0.00 H new ATOM 0 HB2 MET A 59 96.214 1.531 9.626 1.00 0.00 H new ATOM 0 HB3 MET A 59 96.051 3.236 9.997 1.00 0.00 H new ATOM 0 HG2 MET A 59 97.021 2.822 12.284 1.00 0.00 H new ATOM 0 HG3 MET A 59 97.203 1.124 11.893 1.00 0.00 H new ATOM 0 HE1 MET A 59 100.837 2.630 11.842 1.00 0.00 H new ATOM 0 HE2 MET A 59 99.466 3.189 12.830 1.00 0.00 H new ATOM 0 HE3 MET A 59 99.733 1.447 12.582 1.00 0.00 H new ATOM 965 N SER A 60 94.738 2.486 13.447 1.00 0.00 N ATOM 966 CA SER A 60 94.787 2.104 14.884 1.00 0.00 C ATOM 967 C SER A 60 93.566 1.246 15.156 1.00 0.00 C ATOM 968 O SER A 60 93.585 0.356 15.983 1.00 0.00 O ATOM 969 CB SER A 60 94.745 3.344 15.778 1.00 0.00 C ATOM 970 OG SER A 60 95.889 4.150 15.527 1.00 0.00 O ATOM 0 H SER A 60 94.708 3.488 13.256 1.00 0.00 H new ATOM 0 HA SER A 60 95.711 1.568 15.100 1.00 0.00 H new ATOM 0 HB2 SER A 60 93.836 3.914 15.585 1.00 0.00 H new ATOM 0 HB3 SER A 60 94.719 3.048 16.827 1.00 0.00 H new ATOM 0 HG SER A 60 96.086 4.148 14.567 1.00 0.00 H new ATOM 976 N ASN A 61 92.504 1.496 14.443 1.00 0.00 N ATOM 977 CA ASN A 61 91.285 0.677 14.646 1.00 0.00 C ATOM 978 C ASN A 61 91.661 -0.762 14.341 1.00 0.00 C ATOM 979 O ASN A 61 91.261 -1.681 15.021 1.00 0.00 O ATOM 980 CB ASN A 61 90.165 1.145 13.714 1.00 0.00 C ATOM 981 CG ASN A 61 88.869 0.418 14.075 1.00 0.00 C ATOM 982 OD1 ASN A 61 88.503 0.343 15.231 1.00 0.00 O ATOM 983 ND2 ASN A 61 88.153 -0.123 13.128 1.00 0.00 N ATOM 0 H ASN A 61 92.430 2.226 13.735 1.00 0.00 H new ATOM 0 HA ASN A 61 90.920 0.774 15.668 1.00 0.00 H new ATOM 0 HB2 ASN A 61 90.028 2.223 13.804 1.00 0.00 H new ATOM 0 HB3 ASN A 61 90.432 0.943 12.677 1.00 0.00 H new ATOM 0 HD21 ASN A 61 87.286 -0.609 13.358 1.00 0.00 H new ATOM 0 HD22 ASN A 61 88.460 -0.060 12.157 1.00 0.00 H new ATOM 990 N LEU A 62 92.472 -0.964 13.339 1.00 0.00 N ATOM 991 CA LEU A 62 92.915 -2.346 13.025 1.00 0.00 C ATOM 992 C LEU A 62 93.589 -2.876 14.291 1.00 0.00 C ATOM 993 O LEU A 62 93.548 -4.052 14.600 1.00 0.00 O ATOM 994 CB LEU A 62 93.874 -2.299 11.797 1.00 0.00 C ATOM 995 CG LEU A 62 95.353 -2.559 12.169 1.00 0.00 C ATOM 996 CD1 LEU A 62 95.585 -4.049 12.537 1.00 0.00 C ATOM 997 CD2 LEU A 62 96.226 -2.175 10.959 1.00 0.00 C ATOM 0 H LEU A 62 92.843 -0.235 12.729 1.00 0.00 H new ATOM 0 HA LEU A 62 92.095 -3.011 12.753 1.00 0.00 H new ATOM 0 HB2 LEU A 62 93.554 -3.041 11.066 1.00 0.00 H new ATOM 0 HB3 LEU A 62 93.793 -1.323 11.318 1.00 0.00 H new ATOM 0 HG LEU A 62 95.618 -1.960 13.040 1.00 0.00 H new ATOM 0 HD11 LEU A 62 96.633 -4.201 12.794 1.00 0.00 H new ATOM 0 HD12 LEU A 62 94.960 -4.315 13.390 1.00 0.00 H new ATOM 0 HD13 LEU A 62 95.325 -4.679 11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 62 97.275 -2.350 11.197 1.00 0.00 H new ATOM 0 HD22 LEU A 62 95.943 -2.782 10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 62 96.078 -1.121 10.724 1.00 0.00 H new ATOM 1009 N ASP A 63 94.186 -1.985 15.038 1.00 0.00 N ATOM 1010 CA ASP A 63 94.854 -2.362 16.316 1.00 0.00 C ATOM 1011 C ASP A 63 93.880 -2.099 17.472 1.00 0.00 C ATOM 1012 O ASP A 63 94.283 -1.903 18.601 1.00 0.00 O ATOM 1013 CB ASP A 63 96.105 -1.501 16.510 1.00 0.00 C ATOM 1014 CG ASP A 63 97.167 -1.893 15.481 1.00 0.00 C ATOM 1015 OD1 ASP A 63 97.217 -3.060 15.125 1.00 0.00 O ATOM 1016 OD2 ASP A 63 97.908 -1.020 15.062 1.00 0.00 O ATOM 0 H ASP A 63 94.239 -0.992 14.810 1.00 0.00 H new ATOM 0 HA ASP A 63 95.138 -3.414 16.292 1.00 0.00 H new ATOM 0 HB2 ASP A 63 95.852 -0.446 16.402 1.00 0.00 H new ATOM 0 HB3 ASP A 63 96.496 -1.633 17.519 1.00 0.00 H new ATOM 1021 N SER A 64 92.599 -2.060 17.193 1.00 0.00 N ATOM 1022 CA SER A 64 91.608 -1.766 18.274 1.00 0.00 C ATOM 1023 C SER A 64 91.712 -2.801 19.406 1.00 0.00 C ATOM 1024 O SER A 64 91.784 -2.449 20.566 1.00 0.00 O ATOM 1025 CB SER A 64 90.185 -1.797 17.691 1.00 0.00 C ATOM 1026 OG SER A 64 89.850 -0.512 17.196 1.00 0.00 O ATOM 0 H SER A 64 92.199 -2.218 16.268 1.00 0.00 H new ATOM 0 HA SER A 64 91.824 -0.778 18.680 1.00 0.00 H new ATOM 0 HB2 SER A 64 90.124 -2.534 16.890 1.00 0.00 H new ATOM 0 HB3 SER A 64 89.473 -2.100 18.458 1.00 0.00 H new ATOM 0 HG SER A 64 89.409 -0.602 16.325 1.00 0.00 H new ATOM 1032 N ASN A 65 91.701 -4.069 19.090 1.00 0.00 N ATOM 1033 CA ASN A 65 91.780 -5.093 20.174 1.00 0.00 C ATOM 1034 C ASN A 65 91.997 -6.485 19.572 1.00 0.00 C ATOM 1035 O ASN A 65 92.425 -6.626 18.443 1.00 0.00 O ATOM 1036 CB ASN A 65 90.474 -5.076 20.979 1.00 0.00 C ATOM 1037 CG ASN A 65 90.694 -5.749 22.335 1.00 0.00 C ATOM 1038 OD1 ASN A 65 91.800 -5.786 22.836 1.00 0.00 O ATOM 1039 ND2 ASN A 65 89.679 -6.286 22.955 1.00 0.00 N ATOM 0 H ASN A 65 91.642 -4.437 18.141 1.00 0.00 H new ATOM 0 HA ASN A 65 92.620 -4.860 20.828 1.00 0.00 H new ATOM 0 HB2 ASN A 65 90.137 -4.049 21.122 1.00 0.00 H new ATOM 0 HB3 ASN A 65 89.689 -5.595 20.428 1.00 0.00 H new ATOM 0 HD21 ASN A 65 89.814 -6.737 23.860 1.00 0.00 H new ATOM 0 HD22 ASN A 65 88.750 -6.255 22.535 1.00 0.00 H new ATOM 1046 N ARG A 66 91.707 -7.515 20.324 1.00 0.00 N ATOM 1047 CA ARG A 66 91.898 -8.900 19.804 1.00 0.00 C ATOM 1048 C ARG A 66 91.039 -9.120 18.556 1.00 0.00 C ATOM 1049 O ARG A 66 91.466 -9.746 17.607 1.00 0.00 O ATOM 1050 CB ARG A 66 91.502 -9.919 20.877 1.00 0.00 C ATOM 1051 CG ARG A 66 92.523 -9.896 22.018 1.00 0.00 C ATOM 1052 CD ARG A 66 92.128 -10.928 23.079 1.00 0.00 C ATOM 1053 NE ARG A 66 92.175 -12.293 22.480 1.00 0.00 N ATOM 1054 CZ ARG A 66 92.166 -13.349 23.248 1.00 0.00 C ATOM 1055 NH1 ARG A 66 92.122 -13.217 24.546 1.00 0.00 N ATOM 1056 NH2 ARG A 66 92.203 -14.539 22.716 1.00 0.00 N ATOM 0 H ARG A 66 91.346 -7.456 21.276 1.00 0.00 H new ATOM 0 HA ARG A 66 92.948 -9.033 19.545 1.00 0.00 H new ATOM 0 HB2 ARG A 66 90.508 -9.688 21.261 1.00 0.00 H new ATOM 0 HB3 ARG A 66 91.452 -10.917 20.442 1.00 0.00 H new ATOM 0 HG2 ARG A 66 93.519 -10.117 21.634 1.00 0.00 H new ATOM 0 HG3 ARG A 66 92.566 -8.901 22.461 1.00 0.00 H new ATOM 0 HD2 ARG A 66 92.806 -10.869 23.931 1.00 0.00 H new ATOM 0 HD3 ARG A 66 91.126 -10.717 23.453 1.00 0.00 H new ATOM 0 HE ARG A 66 92.214 -12.402 21.467 1.00 0.00 H new ATOM 0 HH11 ARG A 66 92.094 -12.287 24.963 1.00 0.00 H new ATOM 0 HH12 ARG A 66 92.115 -14.044 25.143 1.00 0.00 H new ATOM 0 HH21 ARG A 66 92.239 -14.643 21.702 1.00 0.00 H new ATOM 0 HH22 ARG A 66 92.196 -15.365 23.314 1.00 0.00 H new ATOM 1070 N ASP A 67 89.834 -8.618 18.540 1.00 0.00 N ATOM 1071 CA ASP A 67 88.976 -8.823 17.340 1.00 0.00 C ATOM 1072 C ASP A 67 89.660 -8.193 16.127 1.00 0.00 C ATOM 1073 O ASP A 67 90.073 -7.050 16.160 1.00 0.00 O ATOM 1074 CB ASP A 67 87.613 -8.163 17.562 1.00 0.00 C ATOM 1075 CG ASP A 67 86.831 -8.949 18.616 1.00 0.00 C ATOM 1076 OD1 ASP A 67 87.186 -10.090 18.859 1.00 0.00 O ATOM 1077 OD2 ASP A 67 85.886 -8.398 19.158 1.00 0.00 O ATOM 0 H ASP A 67 89.411 -8.081 19.297 1.00 0.00 H new ATOM 0 HA ASP A 67 88.831 -9.890 17.169 1.00 0.00 H new ATOM 0 HB2 ASP A 67 87.745 -7.131 17.887 1.00 0.00 H new ATOM 0 HB3 ASP A 67 87.055 -8.134 16.626 1.00 0.00 H new ATOM 1082 N ASN A 68 89.786 -8.928 15.053 1.00 0.00 N ATOM 1083 CA ASN A 68 90.449 -8.373 13.836 1.00 0.00 C ATOM 1084 C ASN A 68 89.853 -9.019 12.586 1.00 0.00 C ATOM 1085 O ASN A 68 90.537 -9.685 11.837 1.00 0.00 O ATOM 1086 CB ASN A 68 91.951 -8.661 13.896 1.00 0.00 C ATOM 1087 CG ASN A 68 92.560 -7.921 15.087 1.00 0.00 C ATOM 1088 OD1 ASN A 68 92.405 -6.723 15.216 1.00 0.00 O ATOM 1089 ND2 ASN A 68 93.245 -8.588 15.975 1.00 0.00 N ATOM 0 H ASN A 68 89.458 -9.890 14.966 1.00 0.00 H new ATOM 0 HA ASN A 68 90.288 -7.296 13.796 1.00 0.00 H new ATOM 0 HB2 ASN A 68 92.124 -9.733 13.992 1.00 0.00 H new ATOM 0 HB3 ASN A 68 92.431 -8.342 12.971 1.00 0.00 H new ATOM 0 HD21 ASN A 68 93.650 -8.104 16.776 1.00 0.00 H new ATOM 0 HD22 ASN A 68 93.376 -9.594 15.868 1.00 0.00 H new ATOM 1096 N GLU A 69 88.576 -8.821 12.360 1.00 0.00 N ATOM 1097 CA GLU A 69 87.906 -9.412 11.155 1.00 0.00 C ATOM 1098 C GLU A 69 87.321 -8.296 10.292 1.00 0.00 C ATOM 1099 O GLU A 69 86.867 -7.279 10.776 1.00 0.00 O ATOM 1100 CB GLU A 69 86.781 -10.349 11.589 1.00 0.00 C ATOM 1101 CG GLU A 69 86.234 -11.081 10.366 1.00 0.00 C ATOM 1102 CD GLU A 69 85.182 -12.103 10.806 1.00 0.00 C ATOM 1103 OE1 GLU A 69 85.004 -12.261 12.003 1.00 0.00 O ATOM 1104 OE2 GLU A 69 84.578 -12.712 9.940 1.00 0.00 O ATOM 0 H GLU A 69 87.964 -8.271 12.963 1.00 0.00 H new ATOM 0 HA GLU A 69 88.644 -9.973 10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 69 87.152 -11.067 12.321 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.986 -9.782 12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 69 85.793 -10.367 9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 69 87.044 -11.583 9.838 1.00 0.00 H new ATOM 1111 N VAL A 70 87.350 -8.492 9.010 1.00 0.00 N ATOM 1112 CA VAL A 70 86.828 -7.481 8.047 1.00 0.00 C ATOM 1113 C VAL A 70 85.698 -8.114 7.261 1.00 0.00 C ATOM 1114 O VAL A 70 85.921 -8.894 6.356 1.00 0.00 O ATOM 1115 CB VAL A 70 87.960 -7.161 7.075 1.00 0.00 C ATOM 1116 CG1 VAL A 70 87.567 -6.058 6.094 1.00 0.00 C ATOM 1117 CG2 VAL A 70 89.233 -6.740 7.831 1.00 0.00 C ATOM 0 H VAL A 70 87.724 -9.334 8.573 1.00 0.00 H new ATOM 0 HA VAL A 70 86.478 -6.586 8.562 1.00 0.00 H new ATOM 0 HB VAL A 70 88.160 -8.072 6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 70 88.399 -5.859 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 70 86.699 -6.377 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 70 87.322 -5.150 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 70 90.024 -6.518 7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 70 89.024 -5.853 8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 70 89.553 -7.551 8.485 1.00 0.00 H new ATOM 1127 N ASP A 71 84.497 -7.757 7.553 1.00 0.00 N ATOM 1128 CA ASP A 71 83.378 -8.312 6.765 1.00 0.00 C ATOM 1129 C ASP A 71 83.336 -7.493 5.489 1.00 0.00 C ATOM 1130 O ASP A 71 83.968 -6.458 5.404 1.00 0.00 O ATOM 1131 CB ASP A 71 82.063 -8.170 7.535 1.00 0.00 C ATOM 1132 CG ASP A 71 82.071 -9.123 8.733 1.00 0.00 C ATOM 1133 OD1 ASP A 71 82.844 -10.067 8.709 1.00 0.00 O ATOM 1134 OD2 ASP A 71 81.302 -8.894 9.651 1.00 0.00 O ATOM 0 H ASP A 71 84.237 -7.110 8.297 1.00 0.00 H new ATOM 0 HA ASP A 71 83.514 -9.374 6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 71 81.937 -7.142 7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 71 81.220 -8.396 6.882 1.00 0.00 H new ATOM 1139 N PHE A 72 82.624 -7.908 4.492 1.00 0.00 N ATOM 1140 CA PHE A 72 82.603 -7.093 3.261 1.00 0.00 C ATOM 1141 C PHE A 72 82.172 -5.683 3.651 1.00 0.00 C ATOM 1142 O PHE A 72 82.688 -4.697 3.164 1.00 0.00 O ATOM 1143 CB PHE A 72 81.613 -7.690 2.266 1.00 0.00 C ATOM 1144 CG PHE A 72 81.803 -7.010 0.943 1.00 0.00 C ATOM 1145 CD1 PHE A 72 82.715 -7.537 0.029 1.00 0.00 C ATOM 1146 CD2 PHE A 72 81.086 -5.851 0.636 1.00 0.00 C ATOM 1147 CE1 PHE A 72 82.916 -6.907 -1.198 1.00 0.00 C ATOM 1148 CE2 PHE A 72 81.283 -5.220 -0.595 1.00 0.00 C ATOM 1149 CZ PHE A 72 82.200 -5.747 -1.514 1.00 0.00 C ATOM 0 H PHE A 72 82.065 -8.761 4.474 1.00 0.00 H new ATOM 0 HA PHE A 72 83.587 -7.073 2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 72 81.775 -8.763 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 72 80.591 -7.553 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 72 83.266 -8.434 0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 72 80.382 -5.444 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 72 83.624 -7.314 -1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 72 80.728 -4.326 -0.838 1.00 0.00 H new ATOM 0 HZ PHE A 72 82.354 -5.259 -2.465 1.00 0.00 H new ATOM 1159 N GLN A 73 81.230 -5.594 4.545 1.00 0.00 N ATOM 1160 CA GLN A 73 80.750 -4.267 5.004 1.00 0.00 C ATOM 1161 C GLN A 73 81.871 -3.518 5.746 1.00 0.00 C ATOM 1162 O GLN A 73 82.026 -2.327 5.580 1.00 0.00 O ATOM 1163 CB GLN A 73 79.552 -4.466 5.935 1.00 0.00 C ATOM 1164 CG GLN A 73 78.978 -3.110 6.347 1.00 0.00 C ATOM 1165 CD GLN A 73 77.730 -3.333 7.205 1.00 0.00 C ATOM 1166 OE1 GLN A 73 77.242 -4.441 7.307 1.00 0.00 O ATOM 1167 NE2 GLN A 73 77.192 -2.324 7.832 1.00 0.00 N ATOM 0 H GLN A 73 80.769 -6.393 4.981 1.00 0.00 H new ATOM 0 HA GLN A 73 80.453 -3.673 4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 73 78.786 -5.057 5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 73 79.857 -5.025 6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 73 79.721 -2.541 6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 73 78.727 -2.524 5.463 1.00 0.00 H new ATOM 0 HE21 GLN A 73 77.601 -1.394 7.747 1.00 0.00 H new ATOM 0 HE22 GLN A 73 76.362 -2.465 8.408 1.00 0.00 H new ATOM 1176 N GLU A 74 82.662 -4.186 6.563 1.00 0.00 N ATOM 1177 CA GLU A 74 83.741 -3.457 7.281 1.00 0.00 C ATOM 1178 C GLU A 74 84.749 -2.915 6.281 1.00 0.00 C ATOM 1179 O GLU A 74 85.243 -1.813 6.421 1.00 0.00 O ATOM 1180 CB GLU A 74 84.439 -4.396 8.264 1.00 0.00 C ATOM 1181 CG GLU A 74 83.493 -4.724 9.422 1.00 0.00 C ATOM 1182 CD GLU A 74 83.293 -3.475 10.285 1.00 0.00 C ATOM 1183 OE1 GLU A 74 84.097 -2.564 10.171 1.00 0.00 O ATOM 1184 OE2 GLU A 74 82.340 -3.452 11.048 1.00 0.00 O ATOM 0 H GLU A 74 82.602 -5.186 6.755 1.00 0.00 H new ATOM 0 HA GLU A 74 83.303 -2.626 7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 74 84.739 -5.312 7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 74 85.348 -3.930 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 74 82.534 -5.070 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 74 83.905 -5.534 10.024 1.00 0.00 H new ATOM 1191 N TYR A 75 85.066 -3.671 5.273 1.00 0.00 N ATOM 1192 CA TYR A 75 86.051 -3.176 4.282 1.00 0.00 C ATOM 1193 C TYR A 75 85.506 -1.888 3.660 1.00 0.00 C ATOM 1194 O TYR A 75 86.223 -0.931 3.445 1.00 0.00 O ATOM 1195 CB TYR A 75 86.268 -4.230 3.192 1.00 0.00 C ATOM 1196 CG TYR A 75 87.199 -3.679 2.133 1.00 0.00 C ATOM 1197 CD1 TYR A 75 88.500 -3.287 2.477 1.00 0.00 C ATOM 1198 CD2 TYR A 75 86.763 -3.555 0.805 1.00 0.00 C ATOM 1199 CE1 TYR A 75 89.358 -2.775 1.500 1.00 0.00 C ATOM 1200 CE2 TYR A 75 87.624 -3.044 -0.171 1.00 0.00 C ATOM 1201 CZ TYR A 75 88.922 -2.653 0.176 1.00 0.00 C ATOM 1202 OH TYR A 75 89.772 -2.150 -0.787 1.00 0.00 O ATOM 0 H TYR A 75 84.689 -4.602 5.094 1.00 0.00 H new ATOM 0 HA TYR A 75 87.006 -2.980 4.770 1.00 0.00 H new ATOM 0 HB2 TYR A 75 86.690 -5.136 3.627 1.00 0.00 H new ATOM 0 HB3 TYR A 75 85.314 -4.506 2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 75 88.840 -3.381 3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 75 85.761 -3.855 0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 75 90.360 -2.473 1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.287 -2.951 -1.193 1.00 0.00 H new ATOM 0 HH TYR A 75 89.313 -2.133 -1.652 1.00 0.00 H new ATOM 1212 N CYS A 76 84.231 -1.860 3.394 1.00 0.00 N ATOM 1213 CA CYS A 76 83.597 -0.648 2.815 1.00 0.00 C ATOM 1214 C CYS A 76 83.594 0.445 3.879 1.00 0.00 C ATOM 1215 O CYS A 76 83.817 1.603 3.590 1.00 0.00 O ATOM 1216 CB CYS A 76 82.158 -0.962 2.396 1.00 0.00 C ATOM 1217 SG CYS A 76 82.158 -2.332 1.213 1.00 0.00 S ATOM 0 H CYS A 76 83.593 -2.639 3.557 1.00 0.00 H new ATOM 0 HA CYS A 76 84.153 -0.319 1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 76 81.562 -1.223 3.271 1.00 0.00 H new ATOM 0 HB3 CYS A 76 81.698 -0.081 1.948 1.00 0.00 H new ATOM 0 HG CYS A 76 82.372 -3.449 1.843 1.00 0.00 H new ATOM 1223 N VAL A 77 83.369 0.088 5.121 1.00 0.00 N ATOM 1224 CA VAL A 77 83.387 1.130 6.177 1.00 0.00 C ATOM 1225 C VAL A 77 84.773 1.759 6.165 1.00 0.00 C ATOM 1226 O VAL A 77 84.925 2.958 6.287 1.00 0.00 O ATOM 1227 CB VAL A 77 83.112 0.498 7.545 1.00 0.00 C ATOM 1228 CG1 VAL A 77 83.383 1.527 8.651 1.00 0.00 C ATOM 1229 CG2 VAL A 77 81.646 0.049 7.618 1.00 0.00 C ATOM 0 H VAL A 77 83.178 -0.862 5.438 1.00 0.00 H new ATOM 0 HA VAL A 77 82.618 1.880 5.992 1.00 0.00 H new ATOM 0 HB VAL A 77 83.765 -0.364 7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 77 83.187 1.076 9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 77 84.424 1.847 8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 77 82.731 2.390 8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 77 81.451 -0.401 8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 77 80.994 0.911 7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 77 81.450 -0.683 6.835 1.00 0.00 H new ATOM 1239 N PHE A 78 85.788 0.956 5.991 1.00 0.00 N ATOM 1240 CA PHE A 78 87.157 1.518 5.938 1.00 0.00 C ATOM 1241 C PHE A 78 87.311 2.329 4.652 1.00 0.00 C ATOM 1242 O PHE A 78 87.874 3.405 4.664 1.00 0.00 O ATOM 1243 CB PHE A 78 88.192 0.391 5.982 1.00 0.00 C ATOM 1244 CG PHE A 78 88.288 -0.155 7.391 1.00 0.00 C ATOM 1245 CD1 PHE A 78 88.773 0.660 8.420 1.00 0.00 C ATOM 1246 CD2 PHE A 78 87.897 -1.472 7.670 1.00 0.00 C ATOM 1247 CE1 PHE A 78 88.865 0.164 9.725 1.00 0.00 C ATOM 1248 CE2 PHE A 78 87.990 -1.968 8.975 1.00 0.00 C ATOM 1249 CZ PHE A 78 88.474 -1.150 10.003 1.00 0.00 C ATOM 0 H PHE A 78 85.724 -0.056 5.885 1.00 0.00 H new ATOM 0 HA PHE A 78 87.321 2.166 6.799 1.00 0.00 H new ATOM 0 HB2 PHE A 78 87.909 -0.404 5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.164 0.763 5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 78 89.077 1.674 8.206 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.524 -2.104 6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 78 89.238 0.796 10.518 1.00 0.00 H new ATOM 0 HE2 PHE A 78 87.688 -2.983 9.189 1.00 0.00 H new ATOM 0 HZ PHE A 78 88.545 -1.533 11.010 1.00 0.00 H new ATOM 1259 N LEU A 79 86.789 1.859 3.541 1.00 0.00 N ATOM 1260 CA LEU A 79 86.908 2.688 2.299 1.00 0.00 C ATOM 1261 C LEU A 79 86.013 3.913 2.449 1.00 0.00 C ATOM 1262 O LEU A 79 86.348 5.005 2.040 1.00 0.00 O ATOM 1263 CB LEU A 79 86.493 1.906 1.045 1.00 0.00 C ATOM 1264 CG LEU A 79 87.554 0.858 0.659 1.00 0.00 C ATOM 1265 CD1 LEU A 79 87.057 0.093 -0.580 1.00 0.00 C ATOM 1266 CD2 LEU A 79 88.905 1.546 0.335 1.00 0.00 C ATOM 0 H LEU A 79 86.302 0.968 3.441 1.00 0.00 H new ATOM 0 HA LEU A 79 87.952 2.977 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.538 1.411 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.344 2.598 0.216 1.00 0.00 H new ATOM 0 HG LEU A 79 87.707 0.173 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 79 87.797 -0.654 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 79 86.114 -0.401 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.908 0.792 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 79 89.642 0.790 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 79 88.771 2.237 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 79 89.253 2.095 1.210 1.00 0.00 H new ATOM 1278 N SER A 80 84.875 3.740 3.043 1.00 0.00 N ATOM 1279 CA SER A 80 83.961 4.889 3.235 1.00 0.00 C ATOM 1280 C SER A 80 84.692 5.922 4.070 1.00 0.00 C ATOM 1281 O SER A 80 84.631 7.106 3.821 1.00 0.00 O ATOM 1282 CB SER A 80 82.708 4.433 3.978 1.00 0.00 C ATOM 1283 OG SER A 80 81.939 3.590 3.132 1.00 0.00 O ATOM 0 H SER A 80 84.536 2.849 3.406 1.00 0.00 H new ATOM 0 HA SER A 80 83.666 5.306 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 80 82.985 3.899 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 80 82.118 5.297 4.283 1.00 0.00 H new ATOM 0 HG SER A 80 81.671 4.087 2.331 1.00 0.00 H new ATOM 1289 N CYS A 81 85.414 5.465 5.051 1.00 0.00 N ATOM 1290 CA CYS A 81 86.188 6.395 5.905 1.00 0.00 C ATOM 1291 C CYS A 81 87.229 7.078 5.037 1.00 0.00 C ATOM 1292 O CYS A 81 87.589 8.216 5.256 1.00 0.00 O ATOM 1293 CB CYS A 81 86.891 5.610 7.014 1.00 0.00 C ATOM 1294 SG CYS A 81 87.949 6.726 7.968 1.00 0.00 S ATOM 0 H CYS A 81 85.500 4.479 5.298 1.00 0.00 H new ATOM 0 HA CYS A 81 85.524 7.132 6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 81 86.154 5.144 7.668 1.00 0.00 H new ATOM 0 HB3 CYS A 81 87.488 4.806 6.583 1.00 0.00 H new ATOM 0 HG CYS A 81 88.212 7.785 7.261 1.00 0.00 H new ATOM 1300 N ILE A 82 87.718 6.390 4.045 1.00 0.00 N ATOM 1301 CA ILE A 82 88.743 7.015 3.162 1.00 0.00 C ATOM 1302 C ILE A 82 88.076 8.107 2.326 1.00 0.00 C ATOM 1303 O ILE A 82 88.632 9.163 2.102 1.00 0.00 O ATOM 1304 CB ILE A 82 89.372 5.953 2.247 1.00 0.00 C ATOM 1305 CG1 ILE A 82 90.194 4.952 3.094 1.00 0.00 C ATOM 1306 CG2 ILE A 82 90.271 6.632 1.203 1.00 0.00 C ATOM 1307 CD1 ILE A 82 91.602 5.493 3.400 1.00 0.00 C ATOM 0 H ILE A 82 87.457 5.433 3.808 1.00 0.00 H new ATOM 0 HA ILE A 82 89.534 7.453 3.771 1.00 0.00 H new ATOM 0 HB ILE A 82 88.582 5.409 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 82 89.670 4.749 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 82 90.275 4.004 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 82 90.714 5.874 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 82 89.675 7.319 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 82 91.062 7.186 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.150 4.764 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 82 92.134 5.672 2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 82 91.520 6.427 3.955 1.00 0.00 H new ATOM 1319 N ALA A 83 86.887 7.858 1.858 1.00 0.00 N ATOM 1320 CA ALA A 83 86.182 8.880 1.036 1.00 0.00 C ATOM 1321 C ALA A 83 85.981 10.171 1.838 1.00 0.00 C ATOM 1322 O ALA A 83 86.279 11.249 1.367 1.00 0.00 O ATOM 1323 CB ALA A 83 84.825 8.340 0.607 1.00 0.00 C ATOM 0 H ALA A 83 86.372 6.991 2.009 1.00 0.00 H new ATOM 0 HA ALA A 83 86.790 9.100 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 83 84.309 9.088 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 83 84.964 7.434 0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 83 84.229 8.111 1.490 1.00 0.00 H new ATOM 1329 N MET A 84 85.485 10.087 3.044 1.00 0.00 N ATOM 1330 CA MET A 84 85.289 11.342 3.835 1.00 0.00 C ATOM 1331 C MET A 84 86.640 12.011 4.024 1.00 0.00 C ATOM 1332 O MET A 84 86.764 13.218 3.961 1.00 0.00 O ATOM 1333 CB MET A 84 84.665 11.040 5.200 1.00 0.00 C ATOM 1334 CG MET A 84 83.162 10.744 5.047 1.00 0.00 C ATOM 1335 SD MET A 84 82.928 9.075 4.400 1.00 0.00 S ATOM 1336 CE MET A 84 83.013 8.220 5.991 1.00 0.00 C ATOM 0 H MET A 84 85.211 9.222 3.511 1.00 0.00 H new ATOM 0 HA MET A 84 84.610 12.002 3.295 1.00 0.00 H new ATOM 0 HB2 MET A 84 85.166 10.186 5.656 1.00 0.00 H new ATOM 0 HB3 MET A 84 84.809 11.888 5.869 1.00 0.00 H new ATOM 0 HG2 MET A 84 82.663 10.843 6.011 1.00 0.00 H new ATOM 0 HG3 MET A 84 82.706 11.471 4.375 1.00 0.00 H new ATOM 0 HE1 MET A 84 83.087 7.146 5.823 1.00 0.00 H new ATOM 0 HE2 MET A 84 83.889 8.562 6.542 1.00 0.00 H new ATOM 0 HE3 MET A 84 82.114 8.436 6.569 1.00 0.00 H new ATOM 1346 N MET A 85 87.658 11.237 4.239 1.00 0.00 N ATOM 1347 CA MET A 85 89.000 11.831 4.412 1.00 0.00 C ATOM 1348 C MET A 85 89.329 12.602 3.143 1.00 0.00 C ATOM 1349 O MET A 85 89.988 13.620 3.183 1.00 0.00 O ATOM 1350 CB MET A 85 90.038 10.726 4.632 1.00 0.00 C ATOM 1351 CG MET A 85 89.889 10.154 6.043 1.00 0.00 C ATOM 1352 SD MET A 85 90.445 11.379 7.256 1.00 0.00 S ATOM 1353 CE MET A 85 92.206 11.369 6.824 1.00 0.00 C ATOM 0 H MET A 85 87.618 10.220 4.302 1.00 0.00 H new ATOM 0 HA MET A 85 89.015 12.492 5.279 1.00 0.00 H new ATOM 0 HB2 MET A 85 89.905 9.936 3.893 1.00 0.00 H new ATOM 0 HB3 MET A 85 91.043 11.125 4.495 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.849 9.888 6.231 1.00 0.00 H new ATOM 0 HG3 MET A 85 90.475 9.240 6.140 1.00 0.00 H new ATOM 0 HE1 MET A 85 92.790 11.737 7.668 1.00 0.00 H new ATOM 0 HE2 MET A 85 92.516 10.352 6.584 1.00 0.00 H new ATOM 0 HE3 MET A 85 92.372 12.012 5.960 1.00 0.00 H new ATOM 1363 N CYS A 86 88.848 12.138 2.014 1.00 0.00 N ATOM 1364 CA CYS A 86 89.119 12.871 0.742 1.00 0.00 C ATOM 1365 C CYS A 86 88.451 12.150 -0.430 1.00 0.00 C ATOM 1366 O CYS A 86 89.099 11.465 -1.197 1.00 0.00 O ATOM 1367 CB CYS A 86 90.634 12.944 0.491 1.00 0.00 C ATOM 1368 SG CYS A 86 90.950 13.461 -1.216 1.00 0.00 S ATOM 0 H CYS A 86 88.286 11.292 1.921 1.00 0.00 H new ATOM 0 HA CYS A 86 88.714 13.879 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 86 91.093 13.648 1.185 1.00 0.00 H new ATOM 0 HB3 CYS A 86 91.090 11.971 0.676 1.00 0.00 H new ATOM 0 HG CYS A 86 90.266 12.712 -2.030 1.00 0.00 H new ATOM 1374 N ASN A 87 87.167 12.301 -0.585 1.00 0.00 N ATOM 1375 CA ASN A 87 86.478 11.625 -1.722 1.00 0.00 C ATOM 1376 C ASN A 87 86.964 12.235 -3.042 1.00 0.00 C ATOM 1377 O ASN A 87 87.185 11.541 -4.014 1.00 0.00 O ATOM 1378 CB ASN A 87 84.961 11.803 -1.595 1.00 0.00 C ATOM 1379 CG ASN A 87 84.582 13.269 -1.818 1.00 0.00 C ATOM 1380 OD1 ASN A 87 85.369 14.160 -1.569 1.00 0.00 O ATOM 1381 ND2 ASN A 87 83.396 13.557 -2.283 1.00 0.00 N ATOM 0 H ASN A 87 86.566 12.859 0.021 1.00 0.00 H new ATOM 0 HA ASN A 87 86.710 10.560 -1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 87 84.451 11.173 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 87 84.631 11.480 -0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 87 83.131 14.530 -2.437 1.00 0.00 H new ATOM 0 HD22 ASN A 87 82.735 12.809 -2.492 1.00 0.00 H new ATOM 1388 N GLU A 88 87.138 13.527 -3.079 1.00 0.00 N ATOM 1389 CA GLU A 88 87.618 14.184 -4.327 1.00 0.00 C ATOM 1390 C GLU A 88 88.169 15.568 -3.979 1.00 0.00 C ATOM 1391 O GLU A 88 89.183 15.993 -4.495 1.00 0.00 O ATOM 1392 CB GLU A 88 86.454 14.320 -5.314 1.00 0.00 C ATOM 1393 CG GLU A 88 86.964 14.896 -6.637 1.00 0.00 C ATOM 1394 CD GLU A 88 85.798 15.029 -7.620 1.00 0.00 C ATOM 1395 OE1 GLU A 88 84.714 14.579 -7.288 1.00 0.00 O ATOM 1396 OE2 GLU A 88 86.010 15.573 -8.691 1.00 0.00 O ATOM 0 H GLU A 88 86.968 14.158 -2.296 1.00 0.00 H new ATOM 0 HA GLU A 88 88.403 13.583 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 88 85.993 13.347 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 88 85.684 14.969 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 88 87.424 15.870 -6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 88 87.734 14.248 -7.055 1.00 0.00 H new ATOM 1403 N PHE A 89 87.508 16.268 -3.097 1.00 0.00 N ATOM 1404 CA PHE A 89 87.990 17.620 -2.701 1.00 0.00 C ATOM 1405 C PHE A 89 89.274 17.474 -1.884 1.00 0.00 C ATOM 1406 O PHE A 89 89.457 16.508 -1.169 1.00 0.00 O ATOM 1407 CB PHE A 89 86.928 18.317 -1.848 1.00 0.00 C ATOM 1408 CG PHE A 89 85.711 18.619 -2.690 1.00 0.00 C ATOM 1409 CD1 PHE A 89 85.637 19.820 -3.407 1.00 0.00 C ATOM 1410 CD2 PHE A 89 84.653 17.704 -2.745 1.00 0.00 C ATOM 1411 CE1 PHE A 89 84.505 20.104 -4.182 1.00 0.00 C ATOM 1412 CE2 PHE A 89 83.522 17.988 -3.520 1.00 0.00 C ATOM 1413 CZ PHE A 89 83.448 19.188 -4.238 1.00 0.00 C ATOM 0 H PHE A 89 86.653 15.960 -2.633 1.00 0.00 H new ATOM 0 HA PHE A 89 88.183 18.213 -3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 89 86.651 17.682 -1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 89 87.331 19.240 -1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 89 86.452 20.527 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 89 84.709 16.779 -2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 89 84.448 21.029 -4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 89 82.706 17.281 -3.564 1.00 0.00 H new ATOM 0 HZ PHE A 89 82.575 19.407 -4.835 1.00 0.00 H new ATOM 1423 N PHE A 90 90.163 18.424 -1.974 1.00 0.00 N ATOM 1424 CA PHE A 90 91.428 18.331 -1.192 1.00 0.00 C ATOM 1425 C PHE A 90 91.163 18.834 0.223 1.00 0.00 C ATOM 1426 O PHE A 90 91.982 18.695 1.111 1.00 0.00 O ATOM 1427 CB PHE A 90 92.494 19.208 -1.846 1.00 0.00 C ATOM 1428 CG PHE A 90 92.637 18.815 -3.293 1.00 0.00 C ATOM 1429 CD1 PHE A 90 93.541 17.814 -3.664 1.00 0.00 C ATOM 1430 CD2 PHE A 90 91.857 19.450 -4.264 1.00 0.00 C ATOM 1431 CE1 PHE A 90 93.665 17.449 -5.009 1.00 0.00 C ATOM 1432 CE2 PHE A 90 91.980 19.087 -5.608 1.00 0.00 C ATOM 1433 CZ PHE A 90 92.884 18.085 -5.982 1.00 0.00 C ATOM 0 H PHE A 90 90.069 19.258 -2.553 1.00 0.00 H new ATOM 0 HA PHE A 90 91.775 17.298 -1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 90 92.216 20.259 -1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 90 93.446 19.091 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.143 17.323 -2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 90 91.159 20.222 -3.975 1.00 0.00 H new ATOM 0 HE1 PHE A 90 94.363 16.677 -5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 90 91.378 19.579 -6.358 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.979 17.803 -7.020 1.00 0.00 H new ATOM 1443 N GLU A 91 90.017 19.418 0.438 1.00 0.00 N ATOM 1444 CA GLU A 91 89.684 19.935 1.794 1.00 0.00 C ATOM 1445 C GLU A 91 89.656 18.773 2.786 1.00 0.00 C ATOM 1446 O GLU A 91 89.032 17.756 2.551 1.00 0.00 O ATOM 1447 CB GLU A 91 88.310 20.609 1.763 1.00 0.00 C ATOM 1448 CG GLU A 91 88.029 21.255 3.121 1.00 0.00 C ATOM 1449 CD GLU A 91 86.656 21.928 3.093 1.00 0.00 C ATOM 1450 OE1 GLU A 91 86.090 22.030 2.018 1.00 0.00 O ATOM 1451 OE2 GLU A 91 86.194 22.331 4.148 1.00 0.00 O ATOM 0 H GLU A 91 89.295 19.560 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 91 90.437 20.661 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 91 88.280 21.363 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 91 87.538 19.875 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 91 88.060 20.501 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 91 88.801 21.989 3.353 1.00 0.00 H new ATOM 1458 N GLY A 92 90.321 18.915 3.899 1.00 0.00 N ATOM 1459 CA GLY A 92 90.328 17.821 4.908 1.00 0.00 C ATOM 1460 C GLY A 92 89.027 17.862 5.710 1.00 0.00 C ATOM 1461 O GLY A 92 88.513 18.919 6.022 1.00 0.00 O ATOM 0 H GLY A 92 90.860 19.743 4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 92 90.433 16.855 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 92 91.183 17.932 5.575 1.00 0.00 H new ATOM 1465 N PHE A 93 88.489 16.719 6.050 1.00 0.00 N ATOM 1466 CA PHE A 93 87.219 16.679 6.839 1.00 0.00 C ATOM 1467 C PHE A 93 87.548 16.359 8.314 1.00 0.00 C ATOM 1468 O PHE A 93 87.905 15.239 8.621 1.00 0.00 O ATOM 1469 CB PHE A 93 86.328 15.565 6.281 1.00 0.00 C ATOM 1470 CG PHE A 93 85.786 15.982 4.932 1.00 0.00 C ATOM 1471 CD1 PHE A 93 86.626 15.985 3.811 1.00 0.00 C ATOM 1472 CD2 PHE A 93 84.445 16.366 4.802 1.00 0.00 C ATOM 1473 CE1 PHE A 93 86.124 16.373 2.561 1.00 0.00 C ATOM 1474 CE2 PHE A 93 83.945 16.753 3.553 1.00 0.00 C ATOM 1475 CZ PHE A 93 84.783 16.757 2.433 1.00 0.00 C ATOM 0 H PHE A 93 88.877 15.806 5.814 1.00 0.00 H new ATOM 0 HA PHE A 93 86.710 17.641 6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 93 86.899 14.641 6.186 1.00 0.00 H new ATOM 0 HB3 PHE A 93 85.507 15.363 6.968 1.00 0.00 H new ATOM 0 HD1 PHE A 93 87.660 15.689 3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 93 83.797 16.363 5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 93 86.771 16.376 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 93 82.911 17.049 3.454 1.00 0.00 H new ATOM 0 HZ PHE A 93 84.396 17.056 1.470 1.00 0.00 H new ATOM 1485 N PRO A 94 87.439 17.305 9.235 1.00 0.00 N ATOM 1486 CA PRO A 94 87.754 17.003 10.662 1.00 0.00 C ATOM 1487 C PRO A 94 86.687 16.106 11.309 1.00 0.00 C ATOM 1488 O PRO A 94 86.591 16.018 12.517 1.00 0.00 O ATOM 1489 CB PRO A 94 87.783 18.405 11.304 1.00 0.00 C ATOM 1490 CG PRO A 94 87.174 19.408 10.306 1.00 0.00 C ATOM 1491 CD PRO A 94 87.014 18.707 8.944 1.00 0.00 C ATOM 0 HA PRO A 94 88.684 16.449 10.787 1.00 0.00 H new ATOM 0 HB2 PRO A 94 87.218 18.407 12.236 1.00 0.00 H new ATOM 0 HB3 PRO A 94 88.806 18.689 11.550 1.00 0.00 H new ATOM 0 HG2 PRO A 94 86.208 19.761 10.666 1.00 0.00 H new ATOM 0 HG3 PRO A 94 87.817 20.283 10.208 1.00 0.00 H new ATOM 0 HD2 PRO A 94 85.985 18.751 8.586 1.00 0.00 H new ATOM 0 HD3 PRO A 94 87.638 19.167 8.178 1.00 0.00 H new ATOM 1499 N ASP A 95 85.888 15.444 10.518 1.00 0.00 N ATOM 1500 CA ASP A 95 84.835 14.562 11.097 1.00 0.00 C ATOM 1501 C ASP A 95 84.203 13.715 9.989 1.00 0.00 C ATOM 1502 O ASP A 95 84.159 14.109 8.841 1.00 0.00 O ATOM 1503 CB ASP A 95 83.754 15.421 11.753 1.00 0.00 C ATOM 1504 CG ASP A 95 83.098 16.308 10.693 1.00 0.00 C ATOM 1505 OD1 ASP A 95 83.713 16.512 9.659 1.00 0.00 O ATOM 1506 OD2 ASP A 95 81.991 16.761 10.929 1.00 0.00 O ATOM 0 H ASP A 95 85.918 15.475 9.499 1.00 0.00 H new ATOM 0 HA ASP A 95 85.286 13.907 11.842 1.00 0.00 H new ATOM 0 HB2 ASP A 95 83.005 14.785 12.225 1.00 0.00 H new ATOM 0 HB3 ASP A 95 84.191 16.037 12.539 1.00 0.00 H new ATOM 1511 N LYS A 96 83.705 12.556 10.329 1.00 0.00 N ATOM 1512 CA LYS A 96 83.067 11.684 9.302 1.00 0.00 C ATOM 1513 C LYS A 96 81.611 12.121 9.117 1.00 0.00 C ATOM 1514 O LYS A 96 80.930 11.685 8.212 1.00 0.00 O ATOM 1515 CB LYS A 96 83.103 10.232 9.782 1.00 0.00 C ATOM 1516 CG LYS A 96 84.544 9.721 9.753 1.00 0.00 C ATOM 1517 CD LYS A 96 84.631 8.364 10.463 1.00 0.00 C ATOM 1518 CE LYS A 96 83.857 7.298 9.676 1.00 0.00 C ATOM 1519 NZ LYS A 96 82.405 7.396 9.997 1.00 0.00 N ATOM 0 H LYS A 96 83.713 12.176 11.275 1.00 0.00 H new ATOM 0 HA LYS A 96 83.602 11.769 8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 96 82.701 10.162 10.793 1.00 0.00 H new ATOM 0 HB3 LYS A 96 82.473 9.611 9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 96 84.884 9.624 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 96 85.204 10.439 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 96 85.674 8.065 10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 96 84.225 8.447 11.471 1.00 0.00 H new ATOM 0 HE2 LYS A 96 84.013 7.436 8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 96 84.229 6.305 9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 82.048 6.461 10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 82.267 8.069 10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 81.886 7.726 9.159 1.00 0.00 H new ATOM 1533 N GLN A 97 81.131 12.984 9.978 1.00 0.00 N ATOM 1534 CA GLN A 97 79.717 13.461 9.872 1.00 0.00 C ATOM 1535 C GLN A 97 79.680 14.766 9.052 1.00 0.00 C ATOM 1536 O GLN A 97 80.632 15.521 9.063 1.00 0.00 O ATOM 1537 CB GLN A 97 79.181 13.733 11.282 1.00 0.00 C ATOM 1538 CG GLN A 97 78.876 12.406 11.978 1.00 0.00 C ATOM 1539 CD GLN A 97 78.480 12.673 13.432 1.00 0.00 C ATOM 1540 OE1 GLN A 97 77.600 12.024 13.962 1.00 0.00 O ATOM 1541 NE2 GLN A 97 79.095 13.610 14.102 1.00 0.00 N ATOM 0 H GLN A 97 81.661 13.381 10.754 1.00 0.00 H new ATOM 0 HA GLN A 97 79.105 12.705 9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 97 79.914 14.298 11.858 1.00 0.00 H new ATOM 0 HB3 GLN A 97 78.279 14.343 11.228 1.00 0.00 H new ATOM 0 HG2 GLN A 97 78.069 11.888 11.459 1.00 0.00 H new ATOM 0 HG3 GLN A 97 79.749 11.754 11.941 1.00 0.00 H new ATOM 0 HE21 GLN A 97 79.834 14.154 13.657 1.00 0.00 H new ATOM 0 HE22 GLN A 97 78.837 13.797 15.071 1.00 0.00 H new ATOM 1550 N PRO A 98 78.599 15.050 8.350 1.00 0.00 N ATOM 1551 CA PRO A 98 78.517 16.305 7.550 1.00 0.00 C ATOM 1552 C PRO A 98 79.029 17.529 8.324 1.00 0.00 C ATOM 1553 O PRO A 98 79.325 17.454 9.500 1.00 0.00 O ATOM 1554 CB PRO A 98 77.010 16.409 7.265 1.00 0.00 C ATOM 1555 CG PRO A 98 76.377 15.028 7.526 1.00 0.00 C ATOM 1556 CD PRO A 98 77.395 14.167 8.297 1.00 0.00 C ATOM 0 HA PRO A 98 79.137 16.281 6.654 1.00 0.00 H new ATOM 0 HB2 PRO A 98 76.553 17.164 7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 98 76.838 16.718 6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 98 75.457 15.135 8.101 1.00 0.00 H new ATOM 0 HG3 PRO A 98 76.110 14.548 6.584 1.00 0.00 H new ATOM 0 HD2 PRO A 98 77.036 13.911 9.294 1.00 0.00 H new ATOM 0 HD3 PRO A 98 77.603 13.229 7.783 1.00 0.00 H new ATOM 1564 N ARG A 99 79.127 18.655 7.671 1.00 0.00 N ATOM 1565 CA ARG A 99 79.610 19.880 8.368 1.00 0.00 C ATOM 1566 C ARG A 99 78.529 20.362 9.338 1.00 0.00 C ATOM 1567 O ARG A 99 77.364 20.428 9.001 1.00 0.00 O ATOM 1568 CB ARG A 99 79.891 20.975 7.335 1.00 0.00 C ATOM 1569 CG ARG A 99 80.482 22.202 8.035 1.00 0.00 C ATOM 1570 CD ARG A 99 80.758 23.293 7.000 1.00 0.00 C ATOM 1571 NE ARG A 99 79.470 23.743 6.400 1.00 0.00 N ATOM 1572 CZ ARG A 99 79.414 24.865 5.735 1.00 0.00 C ATOM 1573 NH1 ARG A 99 80.481 25.608 5.616 1.00 0.00 N ATOM 1574 NH2 ARG A 99 78.287 25.247 5.197 1.00 0.00 N ATOM 0 H ARG A 99 78.894 18.779 6.686 1.00 0.00 H new ATOM 0 HA ARG A 99 80.525 19.656 8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 99 80.584 20.606 6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 99 78.970 21.247 6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 99 79.790 22.571 8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 99 81.404 21.932 8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 99 81.267 24.135 7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 99 81.421 22.913 6.223 1.00 0.00 H new ATOM 0 HE ARG A 99 78.631 23.173 6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 99 81.359 25.312 6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 99 80.437 26.485 5.096 1.00 0.00 H new ATOM 0 HH21 ARG A 99 77.452 24.669 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 99 78.241 26.123 4.677 1.00 0.00 H new ATOM 1588 N LYS A 100 78.904 20.699 10.541 1.00 0.00 N ATOM 1589 CA LYS A 100 77.893 21.172 11.526 1.00 0.00 C ATOM 1590 C LYS A 100 77.384 22.554 11.116 1.00 0.00 C ATOM 1591 O LYS A 100 78.123 23.374 10.606 1.00 0.00 O ATOM 1592 CB LYS A 100 78.532 21.259 12.911 1.00 0.00 C ATOM 1593 CG LYS A 100 78.926 19.853 13.377 1.00 0.00 C ATOM 1594 CD LYS A 100 79.555 19.913 14.778 1.00 0.00 C ATOM 1595 CE LYS A 100 81.018 20.372 14.694 1.00 0.00 C ATOM 1596 NZ LYS A 100 81.766 19.506 13.738 1.00 0.00 N ATOM 0 H LYS A 100 79.864 20.667 10.883 1.00 0.00 H new ATOM 0 HA LYS A 100 77.059 20.470 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 100 79.411 21.903 12.879 1.00 0.00 H new ATOM 0 HB3 LYS A 100 77.834 21.707 13.619 1.00 0.00 H new ATOM 0 HG2 LYS A 100 78.047 19.208 13.393 1.00 0.00 H new ATOM 0 HG3 LYS A 100 79.632 19.413 12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 100 78.989 20.599 15.408 1.00 0.00 H new ATOM 0 HD3 LYS A 100 79.503 18.931 15.249 1.00 0.00 H new ATOM 0 HE2 LYS A 100 81.064 21.412 14.370 1.00 0.00 H new ATOM 0 HE3 LYS A 100 81.481 20.325 15.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 82.763 19.448 14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 81.350 18.553 13.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 81.707 19.912 12.783 1.00 0.00 H new ATOM 1610 N LYS A 101 76.126 22.819 11.333 1.00 0.00 N ATOM 1611 CA LYS A 101 75.560 24.147 10.959 1.00 0.00 C ATOM 1612 C LYS A 101 75.749 25.126 12.121 1.00 0.00 C ATOM 1613 O LYS A 101 76.620 25.973 12.021 1.00 0.00 O ATOM 1614 CB LYS A 101 74.069 23.991 10.661 1.00 0.00 C ATOM 1615 CG LYS A 101 73.892 23.206 9.359 1.00 0.00 C ATOM 1616 CD LYS A 101 72.418 22.830 9.177 1.00 0.00 C ATOM 1617 CE LYS A 101 71.575 24.097 8.999 1.00 0.00 C ATOM 1618 NZ LYS A 101 70.269 23.738 8.378 1.00 0.00 N ATOM 1619 OXT LYS A 101 75.018 25.010 13.092 1.00 0.00 O ATOM 0 H LYS A 101 75.462 22.170 11.755 1.00 0.00 H new ATOM 0 HA LYS A 101 76.072 24.530 10.076 1.00 0.00 H new ATOM 0 HB2 LYS A 101 73.575 23.472 11.482 1.00 0.00 H new ATOM 0 HB3 LYS A 101 73.599 24.971 10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 101 74.231 23.805 8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 101 74.507 22.306 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 101 72.304 22.182 8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 101 72.067 22.268 10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 101 71.412 24.577 9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 101 72.104 24.814 8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 69.695 24.597 8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 70.435 23.298 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 69.764 23.069 8.993 1.00 0.00 H new TER 1633 LYS A 101 ATOM 1634 N MET B 1 100.034 4.195 -12.457 1.00 0.00 N ATOM 1635 CA MET B 1 99.305 3.234 -13.332 1.00 0.00 C ATOM 1636 C MET B 1 98.810 2.054 -12.495 1.00 0.00 C ATOM 1637 O MET B 1 98.869 2.071 -11.281 1.00 0.00 O ATOM 1638 CB MET B 1 100.243 2.719 -14.425 1.00 0.00 C ATOM 1639 CG MET B 1 100.540 3.849 -15.411 1.00 0.00 C ATOM 1640 SD MET B 1 101.578 3.224 -16.755 1.00 0.00 S ATOM 1641 CE MET B 1 101.694 4.770 -17.686 1.00 0.00 C ATOM 0 H1 MET B 1 99.602 5.137 -12.540 1.00 0.00 H new ATOM 0 H2 MET B 1 99.979 3.875 -11.469 1.00 0.00 H new ATOM 0 H3 MET B 1 101.031 4.244 -12.750 1.00 0.00 H new ATOM 0 HA MET B 1 98.455 3.740 -13.790 1.00 0.00 H new ATOM 0 HB2 MET B 1 101.170 2.354 -13.982 1.00 0.00 H new ATOM 0 HB3 MET B 1 99.786 1.878 -14.946 1.00 0.00 H new ATOM 0 HG2 MET B 1 99.609 4.249 -15.813 1.00 0.00 H new ATOM 0 HG3 MET B 1 101.044 4.669 -14.899 1.00 0.00 H new ATOM 0 HE1 MET B 1 102.303 4.614 -18.576 1.00 0.00 H new ATOM 0 HE2 MET B 1 100.696 5.093 -17.981 1.00 0.00 H new ATOM 0 HE3 MET B 1 102.153 5.537 -17.062 1.00 0.00 H new ATOM 1653 N ALA B 2 98.319 1.026 -13.134 1.00 0.00 N ATOM 1654 CA ALA B 2 97.817 -0.157 -12.378 1.00 0.00 C ATOM 1655 C ALA B 2 96.911 0.318 -11.239 1.00 0.00 C ATOM 1656 O ALA B 2 96.319 1.377 -11.308 1.00 0.00 O ATOM 1657 CB ALA B 2 99.007 -0.933 -11.807 1.00 0.00 C ATOM 0 H ALA B 2 98.244 0.955 -14.149 1.00 0.00 H new ATOM 0 HA ALA B 2 97.248 -0.807 -13.042 1.00 0.00 H new ATOM 0 HB1 ALA B 2 98.645 -1.799 -11.253 1.00 0.00 H new ATOM 0 HB2 ALA B 2 99.649 -1.266 -12.622 1.00 0.00 H new ATOM 0 HB3 ALA B 2 99.576 -0.287 -11.138 1.00 0.00 H new ATOM 1663 N CYS B 3 96.800 -0.448 -10.186 1.00 0.00 N ATOM 1664 CA CYS B 3 95.934 -0.024 -9.048 1.00 0.00 C ATOM 1665 C CYS B 3 94.572 0.446 -9.578 1.00 0.00 C ATOM 1666 O CYS B 3 94.201 1.590 -9.402 1.00 0.00 O ATOM 1667 CB CYS B 3 96.613 1.127 -8.302 1.00 0.00 C ATOM 1668 SG CYS B 3 98.313 0.658 -7.895 1.00 0.00 S ATOM 0 H CYS B 3 97.270 -1.345 -10.065 1.00 0.00 H new ATOM 0 HA CYS B 3 95.785 -0.866 -8.372 1.00 0.00 H new ATOM 0 HB2 CYS B 3 96.609 2.026 -8.918 1.00 0.00 H new ATOM 0 HB3 CYS B 3 96.061 1.361 -7.392 1.00 0.00 H new ATOM 0 HG CYS B 3 98.893 1.635 -7.263 1.00 0.00 H new ATOM 1674 N PRO B 4 93.828 -0.420 -10.229 1.00 0.00 N ATOM 1675 CA PRO B 4 92.496 -0.032 -10.778 1.00 0.00 C ATOM 1676 C PRO B 4 91.493 0.312 -9.669 1.00 0.00 C ATOM 1677 O PRO B 4 90.491 0.958 -9.904 1.00 0.00 O ATOM 1678 CB PRO B 4 92.077 -1.292 -11.560 1.00 0.00 C ATOM 1679 CG PRO B 4 93.019 -2.442 -11.155 1.00 0.00 C ATOM 1680 CD PRO B 4 94.250 -1.834 -10.460 1.00 0.00 C ATOM 0 HA PRO B 4 92.531 0.867 -11.393 1.00 0.00 H new ATOM 0 HB2 PRO B 4 91.042 -1.551 -11.337 1.00 0.00 H new ATOM 0 HB3 PRO B 4 92.137 -1.111 -12.633 1.00 0.00 H new ATOM 0 HG2 PRO B 4 92.508 -3.134 -10.486 1.00 0.00 H new ATOM 0 HG3 PRO B 4 93.322 -3.013 -12.033 1.00 0.00 H new ATOM 0 HD2 PRO B 4 94.482 -2.346 -9.526 1.00 0.00 H new ATOM 0 HD3 PRO B 4 95.140 -1.894 -11.086 1.00 0.00 H new ATOM 1688 N LEU B 5 91.760 -0.105 -8.464 1.00 0.00 N ATOM 1689 CA LEU B 5 90.827 0.211 -7.349 1.00 0.00 C ATOM 1690 C LEU B 5 90.728 1.731 -7.224 1.00 0.00 C ATOM 1691 O LEU B 5 89.682 2.277 -6.939 1.00 0.00 O ATOM 1692 CB LEU B 5 91.365 -0.384 -6.038 1.00 0.00 C ATOM 1693 CG LEU B 5 90.409 -0.066 -4.874 1.00 0.00 C ATOM 1694 CD1 LEU B 5 89.029 -0.694 -5.131 1.00 0.00 C ATOM 1695 CD2 LEU B 5 90.997 -0.631 -3.575 1.00 0.00 C ATOM 0 H LEU B 5 92.582 -0.650 -8.203 1.00 0.00 H new ATOM 0 HA LEU B 5 89.844 -0.215 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU B 5 91.478 -1.463 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU B 5 92.354 0.021 -5.826 1.00 0.00 H new ATOM 0 HG LEU B 5 90.291 1.014 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU B 5 88.363 -0.461 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU B 5 88.612 -0.291 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU B 5 89.132 -1.775 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU B 5 90.326 -0.410 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU B 5 91.115 -1.711 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU B 5 91.969 -0.175 -3.387 1.00 0.00 H new ATOM 1707 N GLU B 6 91.822 2.412 -7.429 1.00 0.00 N ATOM 1708 CA GLU B 6 91.823 3.896 -7.314 1.00 0.00 C ATOM 1709 C GLU B 6 90.838 4.499 -8.319 1.00 0.00 C ATOM 1710 O GLU B 6 90.107 5.419 -8.010 1.00 0.00 O ATOM 1711 CB GLU B 6 93.224 4.404 -7.649 1.00 0.00 C ATOM 1712 CG GLU B 6 94.196 4.010 -6.538 1.00 0.00 C ATOM 1713 CD GLU B 6 95.604 4.479 -6.907 1.00 0.00 C ATOM 1714 OE1 GLU B 6 95.780 4.929 -8.028 1.00 0.00 O ATOM 1715 OE2 GLU B 6 96.482 4.378 -6.067 1.00 0.00 O ATOM 0 H GLU B 6 92.722 1.999 -7.673 1.00 0.00 H new ATOM 0 HA GLU B 6 91.533 4.183 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU B 6 93.555 3.986 -8.600 1.00 0.00 H new ATOM 0 HB3 GLU B 6 93.210 5.488 -7.765 1.00 0.00 H new ATOM 0 HG2 GLU B 6 93.887 4.458 -5.593 1.00 0.00 H new ATOM 0 HG3 GLU B 6 94.186 2.929 -6.397 1.00 0.00 H new ATOM 1722 N LYS B 7 90.805 3.987 -9.519 1.00 0.00 N ATOM 1723 CA LYS B 7 89.859 4.538 -10.527 1.00 0.00 C ATOM 1724 C LYS B 7 88.463 4.045 -10.180 1.00 0.00 C ATOM 1725 O LYS B 7 87.517 4.799 -10.128 1.00 0.00 O ATOM 1726 CB LYS B 7 90.253 4.068 -11.943 1.00 0.00 C ATOM 1727 CG LYS B 7 91.774 3.883 -12.048 1.00 0.00 C ATOM 1728 CD LYS B 7 92.515 5.183 -11.716 1.00 0.00 C ATOM 1729 CE LYS B 7 94.006 4.878 -11.609 1.00 0.00 C ATOM 1730 NZ LYS B 7 94.750 6.126 -11.278 1.00 0.00 N ATOM 0 H LYS B 7 91.389 3.216 -9.843 1.00 0.00 H new ATOM 0 HA LYS B 7 89.888 5.628 -10.514 1.00 0.00 H new ATOM 0 HB2 LYS B 7 89.750 3.129 -12.173 1.00 0.00 H new ATOM 0 HB3 LYS B 7 89.918 4.798 -12.680 1.00 0.00 H new ATOM 0 HG2 LYS B 7 92.095 3.094 -11.367 1.00 0.00 H new ATOM 0 HG3 LYS B 7 92.035 3.560 -13.056 1.00 0.00 H new ATOM 0 HD2 LYS B 7 92.336 5.929 -12.490 1.00 0.00 H new ATOM 0 HD3 LYS B 7 92.146 5.601 -10.779 1.00 0.00 H new ATOM 0 HE2 LYS B 7 94.179 4.125 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS B 7 94.371 4.464 -12.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 95.766 5.916 -11.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 94.595 6.831 -12.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 94.409 6.503 -10.371 1.00 0.00 H new ATOM 1744 N ALA B 8 88.337 2.784 -9.903 1.00 0.00 N ATOM 1745 CA ALA B 8 87.005 2.253 -9.522 1.00 0.00 C ATOM 1746 C ALA B 8 86.575 3.002 -8.271 1.00 0.00 C ATOM 1747 O ALA B 8 85.441 3.404 -8.126 1.00 0.00 O ATOM 1748 CB ALA B 8 87.084 0.756 -9.260 1.00 0.00 C ATOM 0 H ALA B 8 89.093 2.100 -9.923 1.00 0.00 H new ATOM 0 HA ALA B 8 86.281 2.398 -10.324 1.00 0.00 H new ATOM 0 HB1 ALA B 8 86.098 0.383 -8.982 1.00 0.00 H new ATOM 0 HB2 ALA B 8 87.424 0.246 -10.162 1.00 0.00 H new ATOM 0 HB3 ALA B 8 87.787 0.565 -8.449 1.00 0.00 H new ATOM 1754 N LEU B 9 87.496 3.240 -7.385 1.00 0.00 N ATOM 1755 CA LEU B 9 87.150 4.024 -6.180 1.00 0.00 C ATOM 1756 C LEU B 9 86.671 5.375 -6.681 1.00 0.00 C ATOM 1757 O LEU B 9 85.705 5.930 -6.196 1.00 0.00 O ATOM 1758 CB LEU B 9 88.390 4.194 -5.296 1.00 0.00 C ATOM 1759 CG LEU B 9 88.042 5.009 -4.043 1.00 0.00 C ATOM 1760 CD1 LEU B 9 86.955 4.292 -3.221 1.00 0.00 C ATOM 1761 CD2 LEU B 9 89.310 5.180 -3.198 1.00 0.00 C ATOM 0 H LEU B 9 88.465 2.927 -7.444 1.00 0.00 H new ATOM 0 HA LEU B 9 86.384 3.529 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU B 9 88.776 3.216 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU B 9 89.179 4.695 -5.857 1.00 0.00 H new ATOM 0 HG LEU B 9 87.658 5.985 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU B 9 86.719 4.883 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU B 9 86.058 4.175 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU B 9 87.318 3.310 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU B 9 89.076 5.758 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU B 9 89.689 4.200 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU B 9 90.068 5.704 -3.781 1.00 0.00 H new ATOM 1773 N ASP B 10 87.329 5.890 -7.687 1.00 0.00 N ATOM 1774 CA ASP B 10 86.896 7.185 -8.262 1.00 0.00 C ATOM 1775 C ASP B 10 85.540 6.979 -8.936 1.00 0.00 C ATOM 1776 O ASP B 10 84.699 7.850 -8.929 1.00 0.00 O ATOM 1777 CB ASP B 10 87.920 7.683 -9.287 1.00 0.00 C ATOM 1778 CG ASP B 10 87.638 9.150 -9.620 1.00 0.00 C ATOM 1779 OD1 ASP B 10 86.529 9.591 -9.369 1.00 0.00 O ATOM 1780 OD2 ASP B 10 88.536 9.806 -10.120 1.00 0.00 O ATOM 0 H ASP B 10 88.144 5.467 -8.130 1.00 0.00 H new ATOM 0 HA ASP B 10 86.816 7.933 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP B 10 88.929 7.577 -8.889 1.00 0.00 H new ATOM 0 HB3 ASP B 10 87.869 7.077 -10.192 1.00 0.00 H new ATOM 1785 N VAL B 11 85.314 5.828 -9.523 1.00 0.00 N ATOM 1786 CA VAL B 11 83.998 5.595 -10.189 1.00 0.00 C ATOM 1787 C VAL B 11 82.884 5.726 -9.141 1.00 0.00 C ATOM 1788 O VAL B 11 81.849 6.307 -9.397 1.00 0.00 O ATOM 1789 CB VAL B 11 83.963 4.194 -10.818 1.00 0.00 C ATOM 1790 CG1 VAL B 11 82.549 3.883 -11.312 1.00 0.00 C ATOM 1791 CG2 VAL B 11 84.938 4.133 -12.000 1.00 0.00 C ATOM 0 H VAL B 11 85.974 5.052 -9.569 1.00 0.00 H new ATOM 0 HA VAL B 11 83.852 6.332 -10.979 1.00 0.00 H new ATOM 0 HB VAL B 11 84.255 3.460 -10.067 1.00 0.00 H new ATOM 0 HG11 VAL B 11 82.530 2.888 -11.757 1.00 0.00 H new ATOM 0 HG12 VAL B 11 81.854 3.918 -10.473 1.00 0.00 H new ATOM 0 HG13 VAL B 11 82.254 4.620 -12.059 1.00 0.00 H new ATOM 0 HG21 VAL B 11 84.910 3.138 -12.443 1.00 0.00 H new ATOM 0 HG22 VAL B 11 84.650 4.872 -12.748 1.00 0.00 H new ATOM 0 HG23 VAL B 11 85.948 4.346 -11.650 1.00 0.00 H new ATOM 1801 N MET B 12 83.093 5.210 -7.954 1.00 0.00 N ATOM 1802 CA MET B 12 82.043 5.337 -6.898 1.00 0.00 C ATOM 1803 C MET B 12 81.805 6.821 -6.630 1.00 0.00 C ATOM 1804 O MET B 12 80.688 7.281 -6.516 1.00 0.00 O ATOM 1805 CB MET B 12 82.514 4.665 -5.598 1.00 0.00 C ATOM 1806 CG MET B 12 81.351 4.606 -4.595 1.00 0.00 C ATOM 1807 SD MET B 12 82.003 4.407 -2.920 1.00 0.00 S ATOM 1808 CE MET B 12 83.125 3.040 -3.282 1.00 0.00 C ATOM 0 H MET B 12 83.937 4.711 -7.673 1.00 0.00 H new ATOM 0 HA MET B 12 81.126 4.854 -7.236 1.00 0.00 H new ATOM 0 HB2 MET B 12 82.877 3.659 -5.808 1.00 0.00 H new ATOM 0 HB3 MET B 12 83.348 5.222 -5.171 1.00 0.00 H new ATOM 0 HG2 MET B 12 80.756 5.517 -4.659 1.00 0.00 H new ATOM 0 HG3 MET B 12 80.689 3.775 -4.839 1.00 0.00 H new ATOM 0 HE1 MET B 12 83.428 2.562 -2.351 1.00 0.00 H new ATOM 0 HE2 MET B 12 82.619 2.312 -3.916 1.00 0.00 H new ATOM 0 HE3 MET B 12 84.007 3.420 -3.798 1.00 0.00 H new ATOM 1818 N VAL B 13 82.862 7.563 -6.503 1.00 0.00 N ATOM 1819 CA VAL B 13 82.732 9.021 -6.221 1.00 0.00 C ATOM 1820 C VAL B 13 82.332 9.781 -7.493 1.00 0.00 C ATOM 1821 O VAL B 13 81.486 10.651 -7.466 1.00 0.00 O ATOM 1822 CB VAL B 13 84.074 9.548 -5.718 1.00 0.00 C ATOM 1823 CG1 VAL B 13 83.946 11.030 -5.360 1.00 0.00 C ATOM 1824 CG2 VAL B 13 84.493 8.752 -4.481 1.00 0.00 C ATOM 0 H VAL B 13 83.821 7.223 -6.582 1.00 0.00 H new ATOM 0 HA VAL B 13 81.959 9.172 -5.467 1.00 0.00 H new ATOM 0 HB VAL B 13 84.827 9.435 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL B 13 84.906 11.402 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL B 13 83.646 11.593 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL B 13 83.195 11.152 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL B 13 85.451 9.123 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL B 13 83.739 8.867 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL B 13 84.588 7.698 -4.742 1.00 0.00 H new ATOM 1834 N SER B 14 82.946 9.468 -8.604 1.00 0.00 N ATOM 1835 CA SER B 14 82.615 10.184 -9.871 1.00 0.00 C ATOM 1836 C SER B 14 81.140 9.988 -10.210 1.00 0.00 C ATOM 1837 O SER B 14 80.426 10.933 -10.484 1.00 0.00 O ATOM 1838 CB SER B 14 83.466 9.623 -11.009 1.00 0.00 C ATOM 1839 OG SER B 14 83.190 10.348 -12.201 1.00 0.00 O ATOM 0 H SER B 14 83.663 8.747 -8.688 1.00 0.00 H new ATOM 0 HA SER B 14 82.820 11.247 -9.742 1.00 0.00 H new ATOM 0 HB2 SER B 14 84.524 9.700 -10.759 1.00 0.00 H new ATOM 0 HB3 SER B 14 83.248 8.565 -11.154 1.00 0.00 H new ATOM 0 HG SER B 14 83.735 9.992 -12.934 1.00 0.00 H new ATOM 1845 N THR B 15 80.674 8.772 -10.193 1.00 0.00 N ATOM 1846 CA THR B 15 79.242 8.530 -10.513 1.00 0.00 C ATOM 1847 C THR B 15 78.378 9.256 -9.479 1.00 0.00 C ATOM 1848 O THR B 15 77.382 9.868 -9.802 1.00 0.00 O ATOM 1849 CB THR B 15 78.973 7.014 -10.499 1.00 0.00 C ATOM 1850 OG1 THR B 15 77.859 6.724 -11.329 1.00 0.00 O ATOM 1851 CG2 THR B 15 78.696 6.512 -9.077 1.00 0.00 C ATOM 0 H THR B 15 81.220 7.939 -9.972 1.00 0.00 H new ATOM 0 HA THR B 15 78.996 8.913 -11.504 1.00 0.00 H new ATOM 0 HB THR B 15 79.861 6.505 -10.874 1.00 0.00 H new ATOM 0 HG1 THR B 15 77.688 5.759 -11.322 1.00 0.00 H new ATOM 0 HG21 THR B 15 78.510 5.438 -9.100 1.00 0.00 H new ATOM 0 HG22 THR B 15 79.559 6.717 -8.444 1.00 0.00 H new ATOM 0 HG23 THR B 15 77.822 7.023 -8.675 1.00 0.00 H new ATOM 1859 N PHE B 16 78.773 9.200 -8.239 1.00 0.00 N ATOM 1860 CA PHE B 16 77.994 9.884 -7.166 1.00 0.00 C ATOM 1861 C PHE B 16 77.933 11.383 -7.461 1.00 0.00 C ATOM 1862 O PHE B 16 76.915 12.023 -7.289 1.00 0.00 O ATOM 1863 CB PHE B 16 78.702 9.658 -5.824 1.00 0.00 C ATOM 1864 CG PHE B 16 77.947 10.337 -4.705 1.00 0.00 C ATOM 1865 CD1 PHE B 16 78.128 11.705 -4.469 1.00 0.00 C ATOM 1866 CD2 PHE B 16 77.073 9.599 -3.898 1.00 0.00 C ATOM 1867 CE1 PHE B 16 77.437 12.335 -3.427 1.00 0.00 C ATOM 1868 CE2 PHE B 16 76.383 10.228 -2.854 1.00 0.00 C ATOM 1869 CZ PHE B 16 76.564 11.597 -2.620 1.00 0.00 C ATOM 0 H PHE B 16 79.607 8.707 -7.919 1.00 0.00 H new ATOM 0 HA PHE B 16 76.982 9.482 -7.126 1.00 0.00 H new ATOM 0 HB2 PHE B 16 78.779 8.590 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE B 16 79.719 10.047 -5.873 1.00 0.00 H new ATOM 0 HD1 PHE B 16 78.802 12.275 -5.092 1.00 0.00 H new ATOM 0 HD2 PHE B 16 76.931 8.544 -4.081 1.00 0.00 H new ATOM 0 HE1 PHE B 16 77.578 13.390 -3.246 1.00 0.00 H new ATOM 0 HE2 PHE B 16 75.711 9.657 -2.230 1.00 0.00 H new ATOM 0 HZ PHE B 16 76.030 12.083 -1.817 1.00 0.00 H new ATOM 1879 N HIS B 17 79.014 11.936 -7.922 1.00 0.00 N ATOM 1880 CA HIS B 17 79.038 13.386 -8.251 1.00 0.00 C ATOM 1881 C HIS B 17 77.996 13.679 -9.327 1.00 0.00 C ATOM 1882 O HIS B 17 77.319 14.687 -9.297 1.00 0.00 O ATOM 1883 CB HIS B 17 80.426 13.748 -8.779 1.00 0.00 C ATOM 1884 CG HIS B 17 80.474 15.208 -9.131 1.00 0.00 C ATOM 1885 ND1 HIS B 17 81.077 16.151 -8.310 1.00 0.00 N ATOM 1886 CD2 HIS B 17 80.008 15.900 -10.221 1.00 0.00 C ATOM 1887 CE1 HIS B 17 80.960 17.347 -8.917 1.00 0.00 C ATOM 1888 NE2 HIS B 17 80.318 17.247 -10.082 1.00 0.00 N ATOM 0 H HIS B 17 79.891 11.442 -8.087 1.00 0.00 H new ATOM 0 HA HIS B 17 78.813 13.973 -7.360 1.00 0.00 H new ATOM 0 HB2 HIS B 17 81.181 13.521 -8.027 1.00 0.00 H new ATOM 0 HB3 HIS B 17 80.659 13.145 -9.657 1.00 0.00 H new ATOM 0 HD1 HIS B 17 81.526 15.971 -7.412 1.00 0.00 H new ATOM 0 HD2 HIS B 17 79.482 15.465 -11.057 1.00 0.00 H new ATOM 0 HE1 HIS B 17 81.339 18.273 -8.511 1.00 0.00 H new ATOM 1897 N LYS B 18 77.875 12.805 -10.286 1.00 0.00 N ATOM 1898 CA LYS B 18 76.889 13.027 -11.378 1.00 0.00 C ATOM 1899 C LYS B 18 75.476 13.093 -10.792 1.00 0.00 C ATOM 1900 O LYS B 18 74.697 13.964 -11.123 1.00 0.00 O ATOM 1901 CB LYS B 18 76.989 11.876 -12.384 1.00 0.00 C ATOM 1902 CG LYS B 18 76.073 12.150 -13.578 1.00 0.00 C ATOM 1903 CD LYS B 18 76.151 10.981 -14.570 1.00 0.00 C ATOM 1904 CE LYS B 18 77.582 10.832 -15.114 1.00 0.00 C ATOM 1905 NZ LYS B 18 78.368 9.946 -14.209 1.00 0.00 N ATOM 0 H LYS B 18 78.418 11.945 -10.360 1.00 0.00 H new ATOM 0 HA LYS B 18 77.103 13.969 -11.883 1.00 0.00 H new ATOM 0 HB2 LYS B 18 78.019 11.765 -12.722 1.00 0.00 H new ATOM 0 HB3 LYS B 18 76.708 10.938 -11.906 1.00 0.00 H new ATOM 0 HG2 LYS B 18 75.046 12.283 -13.238 1.00 0.00 H new ATOM 0 HG3 LYS B 18 76.368 13.077 -14.070 1.00 0.00 H new ATOM 0 HD2 LYS B 18 75.844 10.058 -14.078 1.00 0.00 H new ATOM 0 HD3 LYS B 18 75.458 11.149 -15.394 1.00 0.00 H new ATOM 0 HE2 LYS B 18 77.558 10.413 -16.120 1.00 0.00 H new ATOM 0 HE3 LYS B 18 78.058 11.810 -15.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 79.195 10.464 -13.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 77.771 9.648 -13.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 78.687 9.107 -14.735 1.00 0.00 H new ATOM 1919 N TYR B 19 75.139 12.178 -9.922 1.00 0.00 N ATOM 1920 CA TYR B 19 73.772 12.195 -9.313 1.00 0.00 C ATOM 1921 C TYR B 19 73.632 13.374 -8.349 1.00 0.00 C ATOM 1922 O TYR B 19 72.601 14.011 -8.278 1.00 0.00 O ATOM 1923 CB TYR B 19 73.527 10.896 -8.539 1.00 0.00 C ATOM 1924 CG TYR B 19 73.278 9.754 -9.497 1.00 0.00 C ATOM 1925 CD1 TYR B 19 72.010 9.584 -10.067 1.00 0.00 C ATOM 1926 CD2 TYR B 19 74.310 8.862 -9.809 1.00 0.00 C ATOM 1927 CE1 TYR B 19 71.772 8.523 -10.949 1.00 0.00 C ATOM 1928 CE2 TYR B 19 74.077 7.800 -10.689 1.00 0.00 C ATOM 1929 CZ TYR B 19 72.807 7.630 -11.259 1.00 0.00 C ATOM 1930 OH TYR B 19 72.575 6.584 -12.129 1.00 0.00 O ATOM 0 H TYR B 19 75.746 11.422 -9.606 1.00 0.00 H new ATOM 0 HA TYR B 19 73.042 12.293 -10.117 1.00 0.00 H new ATOM 0 HB2 TYR B 19 74.389 10.671 -7.910 1.00 0.00 H new ATOM 0 HB3 TYR B 19 72.671 11.016 -7.875 1.00 0.00 H new ATOM 0 HD1 TYR B 19 71.214 10.273 -9.826 1.00 0.00 H new ATOM 0 HD2 TYR B 19 75.288 8.994 -9.370 1.00 0.00 H new ATOM 0 HE1 TYR B 19 70.794 8.393 -11.389 1.00 0.00 H new ATOM 0 HE2 TYR B 19 74.874 7.112 -10.929 1.00 0.00 H new ATOM 0 HH TYR B 19 73.429 6.178 -12.387 1.00 0.00 H new ATOM 1940 N SER B 20 74.651 13.652 -7.592 1.00 0.00 N ATOM 1941 CA SER B 20 74.569 14.768 -6.614 1.00 0.00 C ATOM 1942 C SER B 20 74.432 16.096 -7.361 1.00 0.00 C ATOM 1943 O SER B 20 74.174 17.127 -6.772 1.00 0.00 O ATOM 1944 CB SER B 20 75.833 14.759 -5.737 1.00 0.00 C ATOM 1945 OG SER B 20 75.453 14.892 -4.373 1.00 0.00 O ATOM 0 H SER B 20 75.541 13.153 -7.608 1.00 0.00 H new ATOM 0 HA SER B 20 73.695 14.644 -5.974 1.00 0.00 H new ATOM 0 HB2 SER B 20 76.387 13.832 -5.885 1.00 0.00 H new ATOM 0 HB3 SER B 20 76.496 15.575 -6.024 1.00 0.00 H new ATOM 0 HG SER B 20 74.968 15.735 -4.249 1.00 0.00 H new ATOM 1951 N GLY B 21 74.610 16.079 -8.653 1.00 0.00 N ATOM 1952 CA GLY B 21 74.497 17.345 -9.438 1.00 0.00 C ATOM 1953 C GLY B 21 73.043 17.572 -9.860 1.00 0.00 C ATOM 1954 O GLY B 21 72.700 18.609 -10.391 1.00 0.00 O ATOM 0 H GLY B 21 74.828 15.246 -9.200 1.00 0.00 H new ATOM 0 HA2 GLY B 21 74.846 18.186 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY B 21 75.136 17.294 -10.319 1.00 0.00 H new ATOM 1958 N LYS B 22 72.188 16.611 -9.644 1.00 0.00 N ATOM 1959 CA LYS B 22 70.765 16.782 -10.054 1.00 0.00 C ATOM 1960 C LYS B 22 70.103 17.874 -9.207 1.00 0.00 C ATOM 1961 O LYS B 22 69.326 18.668 -9.701 1.00 0.00 O ATOM 1962 CB LYS B 22 70.013 15.463 -9.862 1.00 0.00 C ATOM 1963 CG LYS B 22 70.497 14.441 -10.896 1.00 0.00 C ATOM 1964 CD LYS B 22 69.578 13.215 -10.894 1.00 0.00 C ATOM 1965 CE LYS B 22 69.536 12.585 -9.501 1.00 0.00 C ATOM 1966 NZ LYS B 22 69.008 11.196 -9.610 1.00 0.00 N ATOM 0 H LYS B 22 72.411 15.718 -9.203 1.00 0.00 H new ATOM 0 HA LYS B 22 70.731 17.073 -11.104 1.00 0.00 H new ATOM 0 HB2 LYS B 22 70.178 15.082 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS B 22 68.941 15.625 -9.970 1.00 0.00 H new ATOM 0 HG2 LYS B 22 70.510 14.894 -11.888 1.00 0.00 H new ATOM 0 HG3 LYS B 22 71.520 14.139 -10.670 1.00 0.00 H new ATOM 0 HD2 LYS B 22 68.573 13.505 -11.200 1.00 0.00 H new ATOM 0 HD3 LYS B 22 69.934 12.484 -11.620 1.00 0.00 H new ATOM 0 HE2 LYS B 22 70.534 12.575 -9.063 1.00 0.00 H new ATOM 0 HE3 LYS B 22 68.903 13.177 -8.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 69.134 10.705 -8.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 67.996 11.227 -9.850 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 69.525 10.686 -10.354 1.00 0.00 H new ATOM 1980 N GLU B 23 70.395 17.919 -7.932 1.00 0.00 N ATOM 1981 CA GLU B 23 69.773 18.955 -7.049 1.00 0.00 C ATOM 1982 C GLU B 23 70.743 20.128 -6.871 1.00 0.00 C ATOM 1983 O GLU B 23 70.384 21.175 -6.371 1.00 0.00 O ATOM 1984 CB GLU B 23 69.474 18.328 -5.682 1.00 0.00 C ATOM 1985 CG GLU B 23 68.629 19.286 -4.837 1.00 0.00 C ATOM 1986 CD GLU B 23 68.284 18.618 -3.505 1.00 0.00 C ATOM 1987 OE1 GLU B 23 68.536 17.431 -3.376 1.00 0.00 O ATOM 1988 OE2 GLU B 23 67.779 19.307 -2.633 1.00 0.00 O ATOM 0 H GLU B 23 71.039 17.282 -7.462 1.00 0.00 H new ATOM 0 HA GLU B 23 68.850 19.318 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU B 23 68.945 17.384 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU B 23 70.407 18.101 -5.165 1.00 0.00 H new ATOM 0 HG2 GLU B 23 69.176 20.212 -4.661 1.00 0.00 H new ATOM 0 HG3 GLU B 23 67.716 19.551 -5.371 1.00 0.00 H new ATOM 1995 N GLY B 24 71.971 19.966 -7.280 1.00 0.00 N ATOM 1996 CA GLY B 24 72.960 21.075 -7.131 1.00 0.00 C ATOM 1997 C GLY B 24 73.662 20.949 -5.778 1.00 0.00 C ATOM 1998 O GLY B 24 74.619 21.644 -5.497 1.00 0.00 O ATOM 0 H GLY B 24 72.334 19.116 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY B 24 73.692 21.036 -7.938 1.00 0.00 H new ATOM 0 HA3 GLY B 24 72.456 22.039 -7.204 1.00 0.00 H new ATOM 2002 N ASP B 25 73.198 20.058 -4.936 1.00 0.00 N ATOM 2003 CA ASP B 25 73.841 19.876 -3.598 1.00 0.00 C ATOM 2004 C ASP B 25 74.772 18.666 -3.671 1.00 0.00 C ATOM 2005 O ASP B 25 74.341 17.553 -3.901 1.00 0.00 O ATOM 2006 CB ASP B 25 72.758 19.628 -2.546 1.00 0.00 C ATOM 2007 CG ASP B 25 71.966 20.917 -2.321 1.00 0.00 C ATOM 2008 OD1 ASP B 25 72.454 21.964 -2.711 1.00 0.00 O ATOM 2009 OD2 ASP B 25 70.883 20.834 -1.764 1.00 0.00 O ATOM 0 H ASP B 25 72.401 19.448 -5.118 1.00 0.00 H new ATOM 0 HA ASP B 25 74.407 20.767 -3.325 1.00 0.00 H new ATOM 0 HB2 ASP B 25 72.091 18.831 -2.875 1.00 0.00 H new ATOM 0 HB3 ASP B 25 73.212 19.299 -1.611 1.00 0.00 H new ATOM 2014 N LYS B 26 76.052 18.879 -3.502 1.00 0.00 N ATOM 2015 CA LYS B 26 77.031 17.751 -3.587 1.00 0.00 C ATOM 2016 C LYS B 26 77.434 17.281 -2.191 1.00 0.00 C ATOM 2017 O LYS B 26 78.308 16.447 -2.043 1.00 0.00 O ATOM 2018 CB LYS B 26 78.273 18.234 -4.336 1.00 0.00 C ATOM 2019 CG LYS B 26 77.871 18.684 -5.742 1.00 0.00 C ATOM 2020 CD LYS B 26 79.107 19.170 -6.500 1.00 0.00 C ATOM 2021 CE LYS B 26 78.697 19.634 -7.900 1.00 0.00 C ATOM 2022 NZ LYS B 26 78.206 18.469 -8.691 1.00 0.00 N ATOM 0 H LYS B 26 76.464 19.791 -3.308 1.00 0.00 H new ATOM 0 HA LYS B 26 76.569 16.916 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS B 26 78.739 19.059 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS B 26 79.011 17.434 -4.395 1.00 0.00 H new ATOM 0 HG2 LYS B 26 77.404 17.858 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS B 26 77.132 19.483 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS B 26 79.581 19.989 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS B 26 79.842 18.368 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS B 26 77.917 20.392 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS B 26 79.546 20.096 -8.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 78.809 18.339 -9.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 78.239 17.612 -8.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 77.227 18.643 -8.994 1.00 0.00 H new ATOM 2036 N PHE B 27 76.825 17.808 -1.163 1.00 0.00 N ATOM 2037 CA PHE B 27 77.198 17.387 0.221 1.00 0.00 C ATOM 2038 C PHE B 27 76.240 16.303 0.729 1.00 0.00 C ATOM 2039 O PHE B 27 76.403 15.798 1.822 1.00 0.00 O ATOM 2040 CB PHE B 27 77.129 18.599 1.155 1.00 0.00 C ATOM 2041 CG PHE B 27 78.095 19.660 0.683 1.00 0.00 C ATOM 2042 CD1 PHE B 27 79.424 19.643 1.125 1.00 0.00 C ATOM 2043 CD2 PHE B 27 77.662 20.663 -0.193 1.00 0.00 C ATOM 2044 CE1 PHE B 27 80.319 20.629 0.691 1.00 0.00 C ATOM 2045 CE2 PHE B 27 78.557 21.647 -0.627 1.00 0.00 C ATOM 2046 CZ PHE B 27 79.885 21.631 -0.186 1.00 0.00 C ATOM 0 H PHE B 27 76.087 18.510 -1.220 1.00 0.00 H new ATOM 0 HA PHE B 27 78.211 16.984 0.205 1.00 0.00 H new ATOM 0 HB2 PHE B 27 76.115 18.999 1.174 1.00 0.00 H new ATOM 0 HB3 PHE B 27 77.372 18.299 2.174 1.00 0.00 H new ATOM 0 HD1 PHE B 27 79.759 18.870 1.800 1.00 0.00 H new ATOM 0 HD2 PHE B 27 76.637 20.677 -0.534 1.00 0.00 H new ATOM 0 HE1 PHE B 27 81.344 20.617 1.033 1.00 0.00 H new ATOM 0 HE2 PHE B 27 78.223 22.420 -1.303 1.00 0.00 H new ATOM 0 HZ PHE B 27 80.575 22.391 -0.522 1.00 0.00 H new ATOM 2056 N LYS B 28 75.241 15.929 -0.036 1.00 0.00 N ATOM 2057 CA LYS B 28 74.311 14.868 0.466 1.00 0.00 C ATOM 2058 C LYS B 28 73.508 14.232 -0.677 1.00 0.00 C ATOM 2059 O LYS B 28 73.342 14.806 -1.735 1.00 0.00 O ATOM 2060 CB LYS B 28 73.352 15.484 1.489 1.00 0.00 C ATOM 2061 CG LYS B 28 72.475 16.553 0.827 1.00 0.00 C ATOM 2062 CD LYS B 28 71.563 17.175 1.888 1.00 0.00 C ATOM 2063 CE LYS B 28 70.641 18.208 1.238 1.00 0.00 C ATOM 2064 NZ LYS B 28 69.836 18.884 2.296 1.00 0.00 N ATOM 0 H LYS B 28 75.033 16.301 -0.963 1.00 0.00 H new ATOM 0 HA LYS B 28 74.907 14.083 0.931 1.00 0.00 H new ATOM 0 HB2 LYS B 28 72.723 14.706 1.921 1.00 0.00 H new ATOM 0 HB3 LYS B 28 73.919 15.927 2.308 1.00 0.00 H new ATOM 0 HG2 LYS B 28 73.098 17.321 0.369 1.00 0.00 H new ATOM 0 HG3 LYS B 28 71.878 16.110 0.030 1.00 0.00 H new ATOM 0 HD2 LYS B 28 70.970 16.399 2.372 1.00 0.00 H new ATOM 0 HD3 LYS B 28 72.164 17.648 2.665 1.00 0.00 H new ATOM 0 HE2 LYS B 28 71.229 18.942 0.687 1.00 0.00 H new ATOM 0 HE3 LYS B 28 69.982 17.723 0.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 69.208 19.587 1.858 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 69.265 18.177 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 70.473 19.359 2.967 1.00 0.00 H new ATOM 2078 N LEU B 29 72.978 13.051 -0.440 1.00 0.00 N ATOM 2079 CA LEU B 29 72.142 12.340 -1.469 1.00 0.00 C ATOM 2080 C LEU B 29 70.862 11.867 -0.761 1.00 0.00 C ATOM 2081 O LEU B 29 70.897 11.405 0.361 1.00 0.00 O ATOM 2082 CB LEU B 29 72.938 11.125 -2.048 1.00 0.00 C ATOM 2083 CG LEU B 29 73.224 11.241 -3.561 1.00 0.00 C ATOM 2084 CD1 LEU B 29 71.962 10.862 -4.335 1.00 0.00 C ATOM 2085 CD2 LEU B 29 73.710 12.650 -3.951 1.00 0.00 C ATOM 0 H LEU B 29 73.091 12.542 0.436 1.00 0.00 H new ATOM 0 HA LEU B 29 71.892 12.998 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU B 29 73.883 11.032 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU B 29 72.375 10.210 -1.862 1.00 0.00 H new ATOM 0 HG LEU B 29 74.031 10.555 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU B 29 72.154 10.941 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU B 29 71.680 9.838 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU B 29 71.151 11.537 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU B 29 73.899 12.686 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU B 29 72.946 13.383 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU B 29 74.630 12.880 -3.413 1.00 0.00 H new ATOM 2097 N ASN B 30 69.732 11.988 -1.392 1.00 0.00 N ATOM 2098 CA ASN B 30 68.470 11.546 -0.736 1.00 0.00 C ATOM 2099 C ASN B 30 68.301 10.036 -0.913 1.00 0.00 C ATOM 2100 O ASN B 30 68.505 9.502 -1.981 1.00 0.00 O ATOM 2101 CB ASN B 30 67.279 12.265 -1.377 1.00 0.00 C ATOM 2102 CG ASN B 30 67.299 13.745 -0.993 1.00 0.00 C ATOM 2103 OD1 ASN B 30 67.856 14.113 0.022 1.00 0.00 O ATOM 2104 ND2 ASN B 30 66.706 14.614 -1.765 1.00 0.00 N ATOM 0 H ASN B 30 69.625 12.372 -2.331 1.00 0.00 H new ATOM 0 HA ASN B 30 68.514 11.787 0.326 1.00 0.00 H new ATOM 0 HB2 ASN B 30 67.320 12.161 -2.461 1.00 0.00 H new ATOM 0 HB3 ASN B 30 66.346 11.807 -1.048 1.00 0.00 H new ATOM 0 HD21 ASN B 30 66.710 15.603 -1.516 1.00 0.00 H new ATOM 0 HD22 ASN B 30 66.239 14.304 -2.617 1.00 0.00 H new ATOM 2111 N LYS B 31 67.919 9.344 0.122 1.00 0.00 N ATOM 2112 CA LYS B 31 67.730 7.875 -0.002 1.00 0.00 C ATOM 2113 C LYS B 31 66.740 7.607 -1.130 1.00 0.00 C ATOM 2114 O LYS B 31 66.758 6.572 -1.745 1.00 0.00 O ATOM 2115 CB LYS B 31 67.197 7.288 1.310 1.00 0.00 C ATOM 2116 CG LYS B 31 68.187 7.561 2.443 1.00 0.00 C ATOM 2117 CD LYS B 31 67.722 6.843 3.711 1.00 0.00 C ATOM 2118 CE LYS B 31 68.698 7.141 4.851 1.00 0.00 C ATOM 2119 NZ LYS B 31 68.372 6.280 6.021 1.00 0.00 N ATOM 0 H LYS B 31 67.730 9.732 1.046 1.00 0.00 H new ATOM 0 HA LYS B 31 68.687 7.402 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS B 31 66.228 7.728 1.548 1.00 0.00 H new ATOM 0 HB3 LYS B 31 67.042 6.215 1.202 1.00 0.00 H new ATOM 0 HG2 LYS B 31 69.182 7.217 2.162 1.00 0.00 H new ATOM 0 HG3 LYS B 31 68.260 8.633 2.626 1.00 0.00 H new ATOM 0 HD2 LYS B 31 66.719 7.172 3.981 1.00 0.00 H new ATOM 0 HD3 LYS B 31 67.668 5.769 3.535 1.00 0.00 H new ATOM 0 HE2 LYS B 31 69.722 6.957 4.525 1.00 0.00 H new ATOM 0 HE3 LYS B 31 68.636 8.193 5.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 69.035 6.482 6.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 67.401 6.476 6.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 68.452 5.279 5.749 1.00 0.00 H new ATOM 2133 N SER B 32 65.891 8.539 -1.437 1.00 0.00 N ATOM 2134 CA SER B 32 64.946 8.302 -2.556 1.00 0.00 C ATOM 2135 C SER B 32 65.782 8.065 -3.796 1.00 0.00 C ATOM 2136 O SER B 32 65.507 7.190 -4.594 1.00 0.00 O ATOM 2137 CB SER B 32 64.052 9.511 -2.778 1.00 0.00 C ATOM 2138 OG SER B 32 63.219 9.695 -1.640 1.00 0.00 O ATOM 0 H SER B 32 65.809 9.442 -0.970 1.00 0.00 H new ATOM 0 HA SER B 32 64.305 7.450 -2.331 1.00 0.00 H new ATOM 0 HB2 SER B 32 64.659 10.401 -2.946 1.00 0.00 H new ATOM 0 HB3 SER B 32 63.442 9.368 -3.670 1.00 0.00 H new ATOM 0 HG SER B 32 62.642 10.475 -1.779 1.00 0.00 H new ATOM 2144 N GLU B 33 66.838 8.813 -3.939 1.00 0.00 N ATOM 2145 CA GLU B 33 67.731 8.600 -5.099 1.00 0.00 C ATOM 2146 C GLU B 33 68.234 7.183 -5.003 1.00 0.00 C ATOM 2147 O GLU B 33 68.628 6.593 -5.977 1.00 0.00 O ATOM 2148 CB GLU B 33 68.895 9.594 -5.086 1.00 0.00 C ATOM 2149 CG GLU B 33 68.364 11.004 -5.360 1.00 0.00 C ATOM 2150 CD GLU B 33 67.827 11.078 -6.790 1.00 0.00 C ATOM 2151 OE1 GLU B 33 68.174 10.213 -7.575 1.00 0.00 O ATOM 2152 OE2 GLU B 33 67.072 11.995 -7.072 1.00 0.00 O ATOM 0 H GLU B 33 67.117 9.560 -3.303 1.00 0.00 H new ATOM 0 HA GLU B 33 67.195 8.761 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU B 33 69.401 9.565 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU B 33 69.632 9.318 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU B 33 67.574 11.251 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU B 33 69.159 11.737 -5.220 1.00 0.00 H new ATOM 2159 N LEU B 34 68.197 6.600 -3.841 1.00 0.00 N ATOM 2160 CA LEU B 34 68.648 5.192 -3.765 1.00 0.00 C ATOM 2161 C LEU B 34 67.741 4.399 -4.687 1.00 0.00 C ATOM 2162 O LEU B 34 68.175 3.529 -5.393 1.00 0.00 O ATOM 2163 CB LEU B 34 68.526 4.624 -2.338 1.00 0.00 C ATOM 2164 CG LEU B 34 69.183 3.229 -2.257 1.00 0.00 C ATOM 2165 CD1 LEU B 34 70.694 3.369 -2.019 1.00 0.00 C ATOM 2166 CD2 LEU B 34 68.555 2.421 -1.102 1.00 0.00 C ATOM 0 H LEU B 34 67.884 7.023 -2.967 1.00 0.00 H new ATOM 0 HA LEU B 34 69.698 5.128 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU B 34 69.003 5.300 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU B 34 67.476 4.555 -2.055 1.00 0.00 H new ATOM 0 HG LEU B 34 69.016 2.707 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU B 34 71.147 2.379 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU B 34 71.142 3.927 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU B 34 70.867 3.900 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU B 34 69.022 1.438 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU B 34 68.713 2.948 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU B 34 67.486 2.305 -1.278 1.00 0.00 H new ATOM 2178 N LYS B 35 66.475 4.698 -4.707 1.00 0.00 N ATOM 2179 CA LYS B 35 65.590 3.935 -5.621 1.00 0.00 C ATOM 2180 C LYS B 35 65.897 4.316 -7.072 1.00 0.00 C ATOM 2181 O LYS B 35 66.097 3.467 -7.918 1.00 0.00 O ATOM 2182 CB LYS B 35 64.116 4.229 -5.298 1.00 0.00 C ATOM 2183 CG LYS B 35 63.183 3.589 -6.362 1.00 0.00 C ATOM 2184 CD LYS B 35 62.708 4.650 -7.367 1.00 0.00 C ATOM 2185 CE LYS B 35 61.833 3.991 -8.435 1.00 0.00 C ATOM 2186 NZ LYS B 35 61.404 5.019 -9.425 1.00 0.00 N ATOM 0 H LYS B 35 66.024 5.420 -4.145 1.00 0.00 H new ATOM 0 HA LYS B 35 65.771 2.869 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS B 35 63.870 3.839 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS B 35 63.953 5.306 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS B 35 63.712 2.793 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS B 35 62.323 3.132 -5.873 1.00 0.00 H new ATOM 0 HD2 LYS B 35 62.145 5.428 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS B 35 63.566 5.134 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS B 35 62.387 3.197 -8.935 1.00 0.00 H new ATOM 0 HE3 LYS B 35 60.961 3.529 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 60.809 4.573 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 60.861 5.762 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 62.242 5.440 -9.874 1.00 0.00 H new ATOM 2200 N GLU B 36 65.927 5.587 -7.367 1.00 0.00 N ATOM 2201 CA GLU B 36 66.211 6.025 -8.767 1.00 0.00 C ATOM 2202 C GLU B 36 67.662 5.755 -9.144 1.00 0.00 C ATOM 2203 O GLU B 36 67.962 5.362 -10.253 1.00 0.00 O ATOM 2204 CB GLU B 36 65.931 7.529 -8.891 1.00 0.00 C ATOM 2205 CG GLU B 36 66.383 8.042 -10.264 1.00 0.00 C ATOM 2206 CD GLU B 36 65.883 9.474 -10.460 1.00 0.00 C ATOM 2207 OE1 GLU B 36 65.194 9.964 -9.581 1.00 0.00 O ATOM 2208 OE2 GLU B 36 66.197 10.055 -11.486 1.00 0.00 O ATOM 0 H GLU B 36 65.767 6.342 -6.700 1.00 0.00 H new ATOM 0 HA GLU B 36 65.568 5.460 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU B 36 64.866 7.720 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU B 36 66.454 8.070 -8.103 1.00 0.00 H new ATOM 0 HG2 GLU B 36 67.470 8.011 -10.336 1.00 0.00 H new ATOM 0 HG3 GLU B 36 65.993 7.398 -11.052 1.00 0.00 H new ATOM 2215 N LEU B 37 68.565 5.985 -8.249 1.00 0.00 N ATOM 2216 CA LEU B 37 69.988 5.769 -8.576 1.00 0.00 C ATOM 2217 C LEU B 37 70.232 4.281 -8.738 1.00 0.00 C ATOM 2218 O LEU B 37 70.990 3.857 -9.587 1.00 0.00 O ATOM 2219 CB LEU B 37 70.855 6.347 -7.445 1.00 0.00 C ATOM 2220 CG LEU B 37 72.354 6.382 -7.849 1.00 0.00 C ATOM 2221 CD1 LEU B 37 73.057 7.541 -7.131 1.00 0.00 C ATOM 2222 CD2 LEU B 37 73.057 5.074 -7.455 1.00 0.00 C ATOM 0 H LEU B 37 68.379 6.314 -7.302 1.00 0.00 H new ATOM 0 HA LEU B 37 70.250 6.272 -9.507 1.00 0.00 H new ATOM 0 HB2 LEU B 37 70.517 7.355 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU B 37 70.732 5.745 -6.545 1.00 0.00 H new ATOM 0 HG LEU B 37 72.408 6.512 -8.930 1.00 0.00 H new ATOM 0 HD11 LEU B 37 74.109 7.562 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU B 37 72.586 8.483 -7.412 1.00 0.00 H new ATOM 0 HD13 LEU B 37 72.977 7.403 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU B 37 74.106 5.122 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU B 37 72.988 4.934 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU B 37 72.577 4.236 -7.961 1.00 0.00 H new ATOM 2234 N LEU B 38 69.596 3.470 -7.940 1.00 0.00 N ATOM 2235 CA LEU B 38 69.834 1.999 -8.098 1.00 0.00 C ATOM 2236 C LEU B 38 69.098 1.499 -9.334 1.00 0.00 C ATOM 2237 O LEU B 38 69.603 0.691 -10.079 1.00 0.00 O ATOM 2238 CB LEU B 38 69.360 1.224 -6.857 1.00 0.00 C ATOM 2239 CG LEU B 38 70.399 1.297 -5.704 1.00 0.00 C ATOM 2240 CD1 LEU B 38 71.443 0.186 -5.878 1.00 0.00 C ATOM 2241 CD2 LEU B 38 71.123 2.659 -5.658 1.00 0.00 C ATOM 0 H LEU B 38 68.942 3.744 -7.207 1.00 0.00 H new ATOM 0 HA LEU B 38 70.905 1.831 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU B 38 68.408 1.630 -6.516 1.00 0.00 H new ATOM 0 HB3 LEU B 38 69.184 0.182 -7.124 1.00 0.00 H new ATOM 0 HG LEU B 38 69.854 1.171 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU B 38 72.170 0.240 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU B 38 70.948 -0.785 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU B 38 71.953 0.313 -6.833 1.00 0.00 H new ATOM 0 HD21 LEU B 38 71.839 2.663 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU B 38 71.649 2.823 -6.598 1.00 0.00 H new ATOM 0 HD23 LEU B 38 70.393 3.454 -5.507 1.00 0.00 H new ATOM 2253 N THR B 39 67.914 1.966 -9.566 1.00 0.00 N ATOM 2254 CA THR B 39 67.177 1.491 -10.761 1.00 0.00 C ATOM 2255 C THR B 39 67.839 2.034 -12.030 1.00 0.00 C ATOM 2256 O THR B 39 67.947 1.348 -13.026 1.00 0.00 O ATOM 2257 CB THR B 39 65.734 1.980 -10.702 1.00 0.00 C ATOM 2258 OG1 THR B 39 65.109 1.473 -9.531 1.00 0.00 O ATOM 2259 CG2 THR B 39 64.992 1.478 -11.939 1.00 0.00 C ATOM 0 H THR B 39 67.426 2.650 -8.988 1.00 0.00 H new ATOM 0 HA THR B 39 67.195 0.401 -10.778 1.00 0.00 H new ATOM 0 HB THR B 39 65.712 3.069 -10.676 1.00 0.00 H new ATOM 0 HG1 THR B 39 65.326 2.049 -8.769 1.00 0.00 H new ATOM 0 HG21 THR B 39 63.958 1.822 -11.908 1.00 0.00 H new ATOM 0 HG22 THR B 39 65.476 1.865 -12.836 1.00 0.00 H new ATOM 0 HG23 THR B 39 65.012 0.388 -11.958 1.00 0.00 H new ATOM 2267 N ARG B 40 68.271 3.264 -12.007 1.00 0.00 N ATOM 2268 CA ARG B 40 68.912 3.847 -13.216 1.00 0.00 C ATOM 2269 C ARG B 40 70.316 3.283 -13.397 1.00 0.00 C ATOM 2270 O ARG B 40 70.744 3.011 -14.502 1.00 0.00 O ATOM 2271 CB ARG B 40 68.970 5.372 -13.103 1.00 0.00 C ATOM 2272 CG ARG B 40 67.554 5.946 -13.223 1.00 0.00 C ATOM 2273 CD ARG B 40 67.627 7.471 -13.307 1.00 0.00 C ATOM 2274 NE ARG B 40 68.210 7.867 -14.620 1.00 0.00 N ATOM 2275 CZ ARG B 40 68.101 9.099 -15.031 1.00 0.00 C ATOM 2276 NH1 ARG B 40 67.491 9.982 -14.289 1.00 0.00 N ATOM 2277 NH2 ARG B 40 68.602 9.450 -16.184 1.00 0.00 N ATOM 0 H ARG B 40 68.208 3.889 -11.204 1.00 0.00 H new ATOM 0 HA ARG B 40 68.313 3.581 -14.087 1.00 0.00 H new ATOM 0 HB2 ARG B 40 69.411 5.660 -12.149 1.00 0.00 H new ATOM 0 HB3 ARG B 40 69.608 5.782 -13.886 1.00 0.00 H new ATOM 0 HG2 ARG B 40 67.062 5.546 -14.109 1.00 0.00 H new ATOM 0 HG3 ARG B 40 66.955 5.647 -12.363 1.00 0.00 H new ATOM 0 HD2 ARG B 40 66.632 7.900 -13.194 1.00 0.00 H new ATOM 0 HD3 ARG B 40 68.237 7.862 -12.493 1.00 0.00 H new ATOM 0 HE ARG B 40 68.693 7.176 -15.195 1.00 0.00 H new ATOM 0 HH11 ARG B 40 67.100 9.708 -13.388 1.00 0.00 H new ATOM 0 HH12 ARG B 40 67.405 10.946 -14.610 1.00 0.00 H new ATOM 0 HH21 ARG B 40 69.079 8.760 -16.764 1.00 0.00 H new ATOM 0 HH22 ARG B 40 68.516 10.414 -16.505 1.00 0.00 H new ATOM 2291 N GLU B 41 71.050 3.113 -12.328 1.00 0.00 N ATOM 2292 CA GLU B 41 72.439 2.578 -12.463 1.00 0.00 C ATOM 2293 C GLU B 41 72.416 1.073 -12.301 1.00 0.00 C ATOM 2294 O GLU B 41 73.314 0.381 -12.738 1.00 0.00 O ATOM 2295 CB GLU B 41 73.330 3.205 -11.387 1.00 0.00 C ATOM 2296 CG GLU B 41 74.798 2.867 -11.657 1.00 0.00 C ATOM 2297 CD GLU B 41 75.262 3.572 -12.935 1.00 0.00 C ATOM 2298 OE1 GLU B 41 74.618 4.532 -13.325 1.00 0.00 O ATOM 2299 OE2 GLU B 41 76.252 3.138 -13.501 1.00 0.00 O ATOM 0 H GLU B 41 70.752 3.319 -11.375 1.00 0.00 H new ATOM 0 HA GLU B 41 72.836 2.826 -13.447 1.00 0.00 H new ATOM 0 HB2 GLU B 41 73.194 4.286 -11.376 1.00 0.00 H new ATOM 0 HB3 GLU B 41 73.039 2.837 -10.403 1.00 0.00 H new ATOM 0 HG2 GLU B 41 75.414 3.179 -10.814 1.00 0.00 H new ATOM 0 HG3 GLU B 41 74.920 1.789 -11.760 1.00 0.00 H new ATOM 2306 N LEU B 42 71.386 0.552 -11.701 1.00 0.00 N ATOM 2307 CA LEU B 42 71.294 -0.926 -11.530 1.00 0.00 C ATOM 2308 C LEU B 42 69.821 -1.352 -11.696 1.00 0.00 C ATOM 2309 O LEU B 42 69.115 -1.516 -10.726 1.00 0.00 O ATOM 2310 CB LEU B 42 71.792 -1.320 -10.127 1.00 0.00 C ATOM 2311 CG LEU B 42 73.332 -1.274 -10.065 1.00 0.00 C ATOM 2312 CD1 LEU B 42 73.785 -1.205 -8.601 1.00 0.00 C ATOM 2313 CD2 LEU B 42 73.938 -2.525 -10.733 1.00 0.00 C ATOM 0 H LEU B 42 70.603 1.083 -11.321 1.00 0.00 H new ATOM 0 HA LEU B 42 71.912 -1.424 -12.277 1.00 0.00 H new ATOM 0 HB2 LEU B 42 71.372 -0.643 -9.383 1.00 0.00 H new ATOM 0 HB3 LEU B 42 71.442 -2.322 -9.879 1.00 0.00 H new ATOM 0 HG LEU B 42 73.677 -0.389 -10.600 1.00 0.00 H new ATOM 0 HD11 LEU B 42 74.874 -1.173 -8.558 1.00 0.00 H new ATOM 0 HD12 LEU B 42 73.377 -0.308 -8.136 1.00 0.00 H new ATOM 0 HD13 LEU B 42 73.427 -2.086 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU B 42 75.026 -2.475 -10.680 1.00 0.00 H new ATOM 0 HD22 LEU B 42 73.590 -3.419 -10.215 1.00 0.00 H new ATOM 0 HD23 LEU B 42 73.627 -2.567 -11.777 1.00 0.00 H new ATOM 2325 N PRO B 43 69.343 -1.505 -12.911 1.00 0.00 N ATOM 2326 CA PRO B 43 67.918 -1.892 -13.131 1.00 0.00 C ATOM 2327 C PRO B 43 67.655 -3.391 -12.884 1.00 0.00 C ATOM 2328 O PRO B 43 67.322 -3.797 -11.789 1.00 0.00 O ATOM 2329 CB PRO B 43 67.715 -1.509 -14.609 1.00 0.00 C ATOM 2330 CG PRO B 43 69.107 -1.372 -15.262 1.00 0.00 C ATOM 2331 CD PRO B 43 70.162 -1.305 -14.140 1.00 0.00 C ATOM 0 HA PRO B 43 67.230 -1.402 -12.443 1.00 0.00 H new ATOM 0 HB2 PRO B 43 67.127 -2.269 -15.122 1.00 0.00 H new ATOM 0 HB3 PRO B 43 67.163 -0.572 -14.688 1.00 0.00 H new ATOM 0 HG2 PRO B 43 69.304 -2.220 -15.918 1.00 0.00 H new ATOM 0 HG3 PRO B 43 69.151 -0.474 -15.879 1.00 0.00 H new ATOM 0 HD2 PRO B 43 70.922 -2.079 -14.251 1.00 0.00 H new ATOM 0 HD3 PRO B 43 70.682 -0.347 -14.129 1.00 0.00 H new ATOM 2339 N SER B 44 67.788 -4.203 -13.896 1.00 0.00 N ATOM 2340 CA SER B 44 67.533 -5.665 -13.731 1.00 0.00 C ATOM 2341 C SER B 44 68.583 -6.284 -12.803 1.00 0.00 C ATOM 2342 O SER B 44 68.283 -7.136 -11.994 1.00 0.00 O ATOM 2343 CB SER B 44 67.595 -6.342 -15.100 1.00 0.00 C ATOM 2344 OG SER B 44 68.919 -6.252 -15.607 1.00 0.00 O ATOM 0 H SER B 44 68.064 -3.917 -14.835 1.00 0.00 H new ATOM 0 HA SER B 44 66.547 -5.810 -13.291 1.00 0.00 H new ATOM 0 HB2 SER B 44 67.295 -7.387 -15.016 1.00 0.00 H new ATOM 0 HB3 SER B 44 66.897 -5.864 -15.787 1.00 0.00 H new ATOM 0 HG SER B 44 68.964 -6.686 -16.484 1.00 0.00 H new ATOM 2350 N PHE B 45 69.809 -5.861 -12.924 1.00 0.00 N ATOM 2351 CA PHE B 45 70.903 -6.413 -12.064 1.00 0.00 C ATOM 2352 C PHE B 45 70.560 -6.216 -10.586 1.00 0.00 C ATOM 2353 O PHE B 45 71.266 -6.664 -9.703 1.00 0.00 O ATOM 2354 CB PHE B 45 72.174 -5.639 -12.359 1.00 0.00 C ATOM 2355 CG PHE B 45 72.664 -5.976 -13.747 1.00 0.00 C ATOM 2356 CD1 PHE B 45 73.523 -7.063 -13.938 1.00 0.00 C ATOM 2357 CD2 PHE B 45 72.262 -5.198 -14.840 1.00 0.00 C ATOM 2358 CE1 PHE B 45 73.982 -7.376 -15.223 1.00 0.00 C ATOM 2359 CE2 PHE B 45 72.721 -5.511 -16.125 1.00 0.00 C ATOM 2360 CZ PHE B 45 73.581 -6.599 -16.317 1.00 0.00 C ATOM 0 H PHE B 45 70.108 -5.148 -13.589 1.00 0.00 H new ATOM 0 HA PHE B 45 71.027 -7.476 -12.272 1.00 0.00 H new ATOM 0 HB2 PHE B 45 71.986 -4.568 -12.279 1.00 0.00 H new ATOM 0 HB3 PHE B 45 72.940 -5.884 -11.623 1.00 0.00 H new ATOM 0 HD1 PHE B 45 73.832 -7.661 -13.094 1.00 0.00 H new ATOM 0 HD2 PHE B 45 71.599 -4.358 -14.692 1.00 0.00 H new ATOM 0 HE1 PHE B 45 74.645 -8.216 -15.371 1.00 0.00 H new ATOM 0 HE2 PHE B 45 72.411 -4.913 -16.969 1.00 0.00 H new ATOM 0 HZ PHE B 45 73.935 -6.839 -17.309 1.00 0.00 H new ATOM 2370 N LEU B 46 69.488 -5.536 -10.324 1.00 0.00 N ATOM 2371 CA LEU B 46 69.060 -5.263 -8.909 1.00 0.00 C ATOM 2372 C LEU B 46 67.849 -6.127 -8.609 1.00 0.00 C ATOM 2373 O LEU B 46 67.842 -6.930 -7.697 1.00 0.00 O ATOM 2374 CB LEU B 46 68.678 -3.785 -8.781 1.00 0.00 C ATOM 2375 CG LEU B 46 68.443 -3.399 -7.306 1.00 0.00 C ATOM 2376 CD1 LEU B 46 69.786 -3.143 -6.598 1.00 0.00 C ATOM 2377 CD2 LEU B 46 67.574 -2.130 -7.239 1.00 0.00 C ATOM 0 H LEU B 46 68.871 -5.145 -11.036 1.00 0.00 H new ATOM 0 HA LEU B 46 69.866 -5.489 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU B 46 69.469 -3.164 -9.201 1.00 0.00 H new ATOM 0 HB3 LEU B 46 67.776 -3.588 -9.360 1.00 0.00 H new ATOM 0 HG LEU B 46 67.932 -4.221 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU B 46 69.603 -2.872 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU B 46 70.395 -4.046 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU B 46 70.312 -2.330 -7.098 1.00 0.00 H new ATOM 0 HD21 LEU B 46 67.408 -1.857 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU B 46 68.083 -1.313 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU B 46 66.615 -2.320 -7.722 1.00 0.00 H new ATOM 2389 N GLY B 47 66.844 -5.996 -9.418 1.00 0.00 N ATOM 2390 CA GLY B 47 65.634 -6.837 -9.260 1.00 0.00 C ATOM 2391 C GLY B 47 65.930 -8.105 -10.031 1.00 0.00 C ATOM 2392 O GLY B 47 65.054 -8.814 -10.487 1.00 0.00 O ATOM 0 H GLY B 47 66.809 -5.333 -10.193 1.00 0.00 H new ATOM 0 HA2 GLY B 47 65.438 -7.051 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY B 47 64.751 -6.334 -9.653 1.00 0.00 H new ATOM 2396 N LYS B 48 67.197 -8.356 -10.209 1.00 0.00 N ATOM 2397 CA LYS B 48 67.642 -9.531 -10.984 1.00 0.00 C ATOM 2398 C LYS B 48 66.950 -10.800 -10.470 1.00 0.00 C ATOM 2399 O LYS B 48 66.483 -11.618 -11.237 1.00 0.00 O ATOM 2400 CB LYS B 48 69.149 -9.687 -10.801 1.00 0.00 C ATOM 2401 CG LYS B 48 69.685 -10.731 -11.774 1.00 0.00 C ATOM 2402 CD LYS B 48 71.210 -10.728 -11.705 1.00 0.00 C ATOM 2403 CE LYS B 48 71.773 -11.732 -12.714 1.00 0.00 C ATOM 2404 NZ LYS B 48 73.243 -11.527 -12.851 1.00 0.00 N ATOM 0 H LYS B 48 67.953 -7.780 -9.839 1.00 0.00 H new ATOM 0 HA LYS B 48 67.390 -9.388 -12.035 1.00 0.00 H new ATOM 0 HB2 LYS B 48 69.645 -8.731 -10.970 1.00 0.00 H new ATOM 0 HB3 LYS B 48 69.371 -9.985 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS B 48 69.297 -11.718 -11.521 1.00 0.00 H new ATOM 0 HG3 LYS B 48 69.352 -10.509 -12.788 1.00 0.00 H new ATOM 0 HD2 LYS B 48 71.592 -9.730 -11.919 1.00 0.00 H new ATOM 0 HD3 LYS B 48 71.539 -10.986 -10.698 1.00 0.00 H new ATOM 0 HE2 LYS B 48 71.566 -12.750 -12.384 1.00 0.00 H new ATOM 0 HE3 LYS B 48 71.286 -11.605 -13.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 73.626 -12.209 -13.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 73.429 -10.560 -13.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 73.701 -11.669 -11.928 1.00 0.00 H new ATOM 2418 N ARG B 49 66.898 -10.978 -9.176 1.00 0.00 N ATOM 2419 CA ARG B 49 66.253 -12.202 -8.613 1.00 0.00 C ATOM 2420 C ARG B 49 64.730 -12.045 -8.591 1.00 0.00 C ATOM 2421 O ARG B 49 64.205 -10.950 -8.603 1.00 0.00 O ATOM 2422 CB ARG B 49 66.762 -12.436 -7.189 1.00 0.00 C ATOM 2423 CG ARG B 49 68.250 -12.787 -7.238 1.00 0.00 C ATOM 2424 CD ARG B 49 68.741 -13.129 -5.831 1.00 0.00 C ATOM 2425 NE ARG B 49 68.152 -14.430 -5.407 1.00 0.00 N ATOM 2426 CZ ARG B 49 68.650 -15.065 -4.385 1.00 0.00 C ATOM 2427 NH1 ARG B 49 69.657 -14.555 -3.732 1.00 0.00 N ATOM 2428 NH2 ARG B 49 68.144 -16.211 -4.017 1.00 0.00 N ATOM 0 H ARG B 49 67.274 -10.329 -8.484 1.00 0.00 H new ATOM 0 HA ARG B 49 66.508 -13.054 -9.243 1.00 0.00 H new ATOM 0 HB2 ARG B 49 66.606 -11.543 -6.583 1.00 0.00 H new ATOM 0 HB3 ARG B 49 66.201 -13.243 -6.718 1.00 0.00 H new ATOM 0 HG2 ARG B 49 68.413 -13.632 -7.907 1.00 0.00 H new ATOM 0 HG3 ARG B 49 68.819 -11.948 -7.639 1.00 0.00 H new ATOM 0 HD2 ARG B 49 69.829 -13.188 -5.817 1.00 0.00 H new ATOM 0 HD3 ARG B 49 68.455 -12.342 -5.132 1.00 0.00 H new ATOM 0 HE ARG B 49 67.360 -14.823 -5.916 1.00 0.00 H new ATOM 0 HH11 ARG B 49 70.053 -13.661 -4.022 1.00 0.00 H new ATOM 0 HH12 ARG B 49 70.049 -15.050 -2.931 1.00 0.00 H new ATOM 0 HH21 ARG B 49 67.358 -16.610 -4.530 1.00 0.00 H new ATOM 0 HH22 ARG B 49 68.535 -16.708 -3.216 1.00 0.00 H new ATOM 2442 N THR B 50 64.018 -13.142 -8.552 1.00 0.00 N ATOM 2443 CA THR B 50 62.529 -13.075 -8.522 1.00 0.00 C ATOM 2444 C THR B 50 62.067 -12.650 -7.124 1.00 0.00 C ATOM 2445 O THR B 50 62.842 -12.630 -6.189 1.00 0.00 O ATOM 2446 CB THR B 50 61.945 -14.453 -8.854 1.00 0.00 C ATOM 2447 OG1 THR B 50 62.214 -15.348 -7.784 1.00 0.00 O ATOM 2448 CG2 THR B 50 62.581 -14.985 -10.139 1.00 0.00 C ATOM 0 H THR B 50 64.407 -14.085 -8.540 1.00 0.00 H new ATOM 0 HA THR B 50 62.184 -12.349 -9.258 1.00 0.00 H new ATOM 0 HB THR B 50 60.868 -14.367 -8.995 1.00 0.00 H new ATOM 0 HG1 THR B 50 61.840 -16.229 -7.993 1.00 0.00 H new ATOM 0 HG21 THR B 50 62.164 -15.965 -10.373 1.00 0.00 H new ATOM 0 HG22 THR B 50 62.374 -14.297 -10.959 1.00 0.00 H new ATOM 0 HG23 THR B 50 63.659 -15.073 -10.002 1.00 0.00 H new ATOM 2456 N ASP B 51 60.814 -12.302 -6.984 1.00 0.00 N ATOM 2457 CA ASP B 51 60.282 -11.866 -5.657 1.00 0.00 C ATOM 2458 C ASP B 51 60.880 -10.501 -5.298 1.00 0.00 C ATOM 2459 O ASP B 51 60.169 -9.559 -5.012 1.00 0.00 O ATOM 2460 CB ASP B 51 60.644 -12.901 -4.581 1.00 0.00 C ATOM 2461 CG ASP B 51 60.557 -14.308 -5.180 1.00 0.00 C ATOM 2462 OD1 ASP B 51 59.658 -14.538 -5.973 1.00 0.00 O ATOM 2463 OD2 ASP B 51 61.391 -15.129 -4.837 1.00 0.00 O ATOM 0 H ASP B 51 60.129 -12.301 -7.740 1.00 0.00 H new ATOM 0 HA ASP B 51 59.196 -11.783 -5.709 1.00 0.00 H new ATOM 0 HB2 ASP B 51 61.650 -12.715 -4.206 1.00 0.00 H new ATOM 0 HB3 ASP B 51 59.966 -12.812 -3.732 1.00 0.00 H new ATOM 2468 N GLU B 52 62.180 -10.389 -5.329 1.00 0.00 N ATOM 2469 CA GLU B 52 62.838 -9.085 -5.017 1.00 0.00 C ATOM 2470 C GLU B 52 62.354 -8.553 -3.668 1.00 0.00 C ATOM 2471 O GLU B 52 62.468 -7.378 -3.381 1.00 0.00 O ATOM 2472 CB GLU B 52 62.472 -8.070 -6.096 1.00 0.00 C ATOM 2473 CG GLU B 52 62.877 -8.605 -7.471 1.00 0.00 C ATOM 2474 CD GLU B 52 62.504 -7.579 -8.543 1.00 0.00 C ATOM 2475 OE1 GLU B 52 61.825 -6.623 -8.208 1.00 0.00 O ATOM 2476 OE2 GLU B 52 62.896 -7.772 -9.682 1.00 0.00 O ATOM 0 H GLU B 52 62.820 -11.149 -5.558 1.00 0.00 H new ATOM 0 HA GLU B 52 63.917 -9.237 -4.981 1.00 0.00 H new ATOM 0 HB2 GLU B 52 61.400 -7.873 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU B 52 62.975 -7.122 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU B 52 63.949 -8.801 -7.496 1.00 0.00 H new ATOM 0 HG3 GLU B 52 62.375 -9.552 -7.668 1.00 0.00 H new ATOM 2483 N ALA B 53 61.805 -9.393 -2.846 1.00 0.00 N ATOM 2484 CA ALA B 53 61.302 -8.907 -1.528 1.00 0.00 C ATOM 2485 C ALA B 53 62.451 -8.297 -0.718 1.00 0.00 C ATOM 2486 O ALA B 53 62.351 -7.193 -0.230 1.00 0.00 O ATOM 2487 CB ALA B 53 60.698 -10.077 -0.748 1.00 0.00 C ATOM 0 H ALA B 53 61.681 -10.390 -3.022 1.00 0.00 H new ATOM 0 HA ALA B 53 60.541 -8.146 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA B 53 60.331 -9.722 0.215 1.00 0.00 H new ATOM 0 HB2 ALA B 53 59.872 -10.505 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA B 53 61.461 -10.839 -0.586 1.00 0.00 H new ATOM 2493 N ALA B 54 63.537 -9.005 -0.574 1.00 0.00 N ATOM 2494 CA ALA B 54 64.687 -8.466 0.215 1.00 0.00 C ATOM 2495 C ALA B 54 65.196 -7.170 -0.407 1.00 0.00 C ATOM 2496 O ALA B 54 65.513 -6.223 0.281 1.00 0.00 O ATOM 2497 CB ALA B 54 65.804 -9.498 0.223 1.00 0.00 C ATOM 0 H ALA B 54 63.680 -9.935 -0.968 1.00 0.00 H new ATOM 0 HA ALA B 54 64.359 -8.259 1.234 1.00 0.00 H new ATOM 0 HB1 ALA B 54 66.649 -9.115 0.796 1.00 0.00 H new ATOM 0 HB2 ALA B 54 65.444 -10.420 0.679 1.00 0.00 H new ATOM 0 HB3 ALA B 54 66.121 -9.699 -0.800 1.00 0.00 H new ATOM 2503 N PHE B 55 65.261 -7.105 -1.697 1.00 0.00 N ATOM 2504 CA PHE B 55 65.727 -5.853 -2.338 1.00 0.00 C ATOM 2505 C PHE B 55 64.776 -4.742 -1.921 1.00 0.00 C ATOM 2506 O PHE B 55 65.168 -3.626 -1.659 1.00 0.00 O ATOM 2507 CB PHE B 55 65.700 -6.015 -3.854 1.00 0.00 C ATOM 2508 CG PHE B 55 66.927 -6.776 -4.307 1.00 0.00 C ATOM 2509 CD1 PHE B 55 66.903 -8.174 -4.386 1.00 0.00 C ATOM 2510 CD2 PHE B 55 68.090 -6.076 -4.652 1.00 0.00 C ATOM 2511 CE1 PHE B 55 68.040 -8.871 -4.810 1.00 0.00 C ATOM 2512 CE2 PHE B 55 69.228 -6.774 -5.075 1.00 0.00 C ATOM 2513 CZ PHE B 55 69.204 -8.170 -5.154 1.00 0.00 C ATOM 0 H PHE B 55 65.013 -7.860 -2.336 1.00 0.00 H new ATOM 0 HA PHE B 55 66.746 -5.618 -2.032 1.00 0.00 H new ATOM 0 HB2 PHE B 55 64.798 -6.547 -4.157 1.00 0.00 H new ATOM 0 HB3 PHE B 55 65.669 -5.037 -4.334 1.00 0.00 H new ATOM 0 HD1 PHE B 55 66.007 -8.714 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE B 55 68.109 -4.998 -4.592 1.00 0.00 H new ATOM 0 HE1 PHE B 55 68.021 -9.949 -4.872 1.00 0.00 H new ATOM 0 HE2 PHE B 55 70.125 -6.234 -5.340 1.00 0.00 H new ATOM 0 HZ PHE B 55 70.082 -8.708 -5.480 1.00 0.00 H new ATOM 2523 N GLN B 56 63.520 -5.051 -1.845 1.00 0.00 N ATOM 2524 CA GLN B 56 62.531 -4.024 -1.429 1.00 0.00 C ATOM 2525 C GLN B 56 62.735 -3.717 0.047 1.00 0.00 C ATOM 2526 O GLN B 56 62.406 -2.651 0.514 1.00 0.00 O ATOM 2527 CB GLN B 56 61.111 -4.545 -1.656 1.00 0.00 C ATOM 2528 CG GLN B 56 60.831 -4.626 -3.156 1.00 0.00 C ATOM 2529 CD GLN B 56 59.481 -5.304 -3.386 1.00 0.00 C ATOM 2530 OE1 GLN B 56 59.087 -6.173 -2.634 1.00 0.00 O ATOM 2531 NE2 GLN B 56 58.745 -4.937 -4.400 1.00 0.00 N ATOM 0 H GLN B 56 63.132 -5.971 -2.053 1.00 0.00 H new ATOM 0 HA GLN B 56 62.671 -3.119 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN B 56 60.996 -5.528 -1.200 1.00 0.00 H new ATOM 0 HB3 GLN B 56 60.389 -3.885 -1.176 1.00 0.00 H new ATOM 0 HG2 GLN B 56 60.827 -3.626 -3.591 1.00 0.00 H new ATOM 0 HG3 GLN B 56 61.621 -5.187 -3.655 1.00 0.00 H new ATOM 0 HE21 GLN B 56 59.075 -4.207 -5.032 1.00 0.00 H new ATOM 0 HE22 GLN B 56 57.840 -5.380 -4.560 1.00 0.00 H new ATOM 2540 N LYS B 57 63.282 -4.639 0.784 1.00 0.00 N ATOM 2541 CA LYS B 57 63.513 -4.373 2.235 1.00 0.00 C ATOM 2542 C LYS B 57 64.619 -3.339 2.355 1.00 0.00 C ATOM 2543 O LYS B 57 64.560 -2.431 3.161 1.00 0.00 O ATOM 2544 CB LYS B 57 63.924 -5.652 2.976 1.00 0.00 C ATOM 2545 CG LYS B 57 62.736 -6.614 3.049 1.00 0.00 C ATOM 2546 CD LYS B 57 63.145 -7.896 3.793 1.00 0.00 C ATOM 2547 CE LYS B 57 62.197 -9.041 3.417 1.00 0.00 C ATOM 2548 NZ LYS B 57 60.821 -8.726 3.892 1.00 0.00 N ATOM 0 H LYS B 57 63.578 -5.557 0.453 1.00 0.00 H new ATOM 0 HA LYS B 57 62.589 -4.010 2.685 1.00 0.00 H new ATOM 0 HB2 LYS B 57 64.759 -6.129 2.462 1.00 0.00 H new ATOM 0 HB3 LYS B 57 64.267 -5.407 3.981 1.00 0.00 H new ATOM 0 HG2 LYS B 57 61.901 -6.136 3.562 1.00 0.00 H new ATOM 0 HG3 LYS B 57 62.394 -6.860 2.044 1.00 0.00 H new ATOM 0 HD2 LYS B 57 64.171 -8.163 3.539 1.00 0.00 H new ATOM 0 HD3 LYS B 57 63.117 -7.727 4.869 1.00 0.00 H new ATOM 0 HE2 LYS B 57 62.196 -9.186 2.337 1.00 0.00 H new ATOM 0 HE3 LYS B 57 62.542 -9.974 3.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 60.222 -9.572 3.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 60.857 -8.427 4.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 60.422 -7.959 3.315 1.00 0.00 H new ATOM 2562 N LEU B 58 65.616 -3.461 1.530 1.00 0.00 N ATOM 2563 CA LEU B 58 66.723 -2.473 1.559 1.00 0.00 C ATOM 2564 C LEU B 58 66.143 -1.165 1.037 1.00 0.00 C ATOM 2565 O LEU B 58 66.420 -0.098 1.542 1.00 0.00 O ATOM 2566 CB LEU B 58 67.924 -3.001 0.723 1.00 0.00 C ATOM 2567 CG LEU B 58 68.001 -2.357 -0.680 1.00 0.00 C ATOM 2568 CD1 LEU B 58 68.475 -0.886 -0.585 1.00 0.00 C ATOM 2569 CD2 LEU B 58 68.977 -3.172 -1.548 1.00 0.00 C ATOM 0 H LEU B 58 65.712 -4.203 0.836 1.00 0.00 H new ATOM 0 HA LEU B 58 67.118 -2.310 2.562 1.00 0.00 H new ATOM 0 HB2 LEU B 58 68.851 -2.803 1.261 1.00 0.00 H new ATOM 0 HB3 LEU B 58 67.841 -4.083 0.618 1.00 0.00 H new ATOM 0 HG LEU B 58 67.009 -2.361 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU B 58 68.522 -0.453 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU B 58 67.774 -0.316 0.025 1.00 0.00 H new ATOM 0 HD13 LEU B 58 69.464 -0.851 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU B 58 69.040 -2.727 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU B 58 69.964 -3.169 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU B 58 68.619 -4.198 -1.632 1.00 0.00 H new ATOM 2581 N MET B 59 65.302 -1.253 0.046 1.00 0.00 N ATOM 2582 CA MET B 59 64.659 -0.029 -0.487 1.00 0.00 C ATOM 2583 C MET B 59 63.615 0.432 0.532 1.00 0.00 C ATOM 2584 O MET B 59 63.385 1.614 0.703 1.00 0.00 O ATOM 2585 CB MET B 59 64.048 -0.331 -1.886 1.00 0.00 C ATOM 2586 CG MET B 59 62.514 -0.224 -1.886 1.00 0.00 C ATOM 2587 SD MET B 59 61.886 -0.622 -3.537 1.00 0.00 S ATOM 2588 CE MET B 59 60.125 -0.535 -3.135 1.00 0.00 C ATOM 0 H MET B 59 65.034 -2.122 -0.416 1.00 0.00 H new ATOM 0 HA MET B 59 65.378 0.778 -0.629 1.00 0.00 H new ATOM 0 HB2 MET B 59 64.459 0.365 -2.618 1.00 0.00 H new ATOM 0 HB3 MET B 59 64.340 -1.333 -2.200 1.00 0.00 H new ATOM 0 HG2 MET B 59 62.090 -0.906 -1.149 1.00 0.00 H new ATOM 0 HG3 MET B 59 62.208 0.783 -1.601 1.00 0.00 H new ATOM 0 HE1 MET B 59 59.537 -0.751 -4.027 1.00 0.00 H new ATOM 0 HE2 MET B 59 59.892 -1.266 -2.361 1.00 0.00 H new ATOM 0 HE3 MET B 59 59.883 0.465 -2.775 1.00 0.00 H new ATOM 2598 N SER B 60 63.001 -0.482 1.231 1.00 0.00 N ATOM 2599 CA SER B 60 62.006 -0.060 2.254 1.00 0.00 C ATOM 2600 C SER B 60 62.737 0.823 3.246 1.00 0.00 C ATOM 2601 O SER B 60 62.176 1.734 3.822 1.00 0.00 O ATOM 2602 CB SER B 60 61.435 -1.275 2.983 1.00 0.00 C ATOM 2603 OG SER B 60 60.735 -2.100 2.062 1.00 0.00 O ATOM 0 H SER B 60 63.142 -1.488 1.140 1.00 0.00 H new ATOM 0 HA SER B 60 61.178 0.469 1.781 1.00 0.00 H new ATOM 0 HB2 SER B 60 62.239 -1.840 3.454 1.00 0.00 H new ATOM 0 HB3 SER B 60 60.764 -0.952 3.779 1.00 0.00 H new ATOM 0 HG SER B 60 61.271 -2.210 1.249 1.00 0.00 H new ATOM 2609 N ASN B 61 64.002 0.569 3.435 1.00 0.00 N ATOM 2610 CA ASN B 61 64.781 1.409 4.375 1.00 0.00 C ATOM 2611 C ASN B 61 64.719 2.835 3.852 1.00 0.00 C ATOM 2612 O ASN B 61 64.572 3.779 4.598 1.00 0.00 O ATOM 2613 CB ASN B 61 66.232 0.931 4.447 1.00 0.00 C ATOM 2614 CG ASN B 61 66.959 1.684 5.561 1.00 0.00 C ATOM 2615 OD1 ASN B 61 66.455 1.801 6.661 1.00 0.00 O ATOM 2616 ND2 ASN B 61 68.132 2.201 5.323 1.00 0.00 N ATOM 0 H ASN B 61 64.524 -0.180 2.980 1.00 0.00 H new ATOM 0 HA ASN B 61 64.368 1.346 5.382 1.00 0.00 H new ATOM 0 HB2 ASN B 61 66.264 -0.142 4.637 1.00 0.00 H new ATOM 0 HB3 ASN B 61 66.730 1.101 3.493 1.00 0.00 H new ATOM 0 HD21 ASN B 61 68.627 2.704 6.060 1.00 0.00 H new ATOM 0 HD22 ASN B 61 68.555 2.103 4.400 1.00 0.00 H new ATOM 2623 N LEU B 62 64.788 2.994 2.561 1.00 0.00 N ATOM 2624 CA LEU B 62 64.685 4.359 1.986 1.00 0.00 C ATOM 2625 C LEU B 62 63.340 4.919 2.459 1.00 0.00 C ATOM 2626 O LEU B 62 63.177 6.103 2.677 1.00 0.00 O ATOM 2627 CB LEU B 62 64.794 4.264 0.434 1.00 0.00 C ATOM 2628 CG LEU B 62 63.448 4.513 -0.289 1.00 0.00 C ATOM 2629 CD1 LEU B 62 63.041 6.011 -0.222 1.00 0.00 C ATOM 2630 CD2 LEU B 62 63.601 4.076 -1.760 1.00 0.00 C ATOM 0 H LEU B 62 64.911 2.241 1.884 1.00 0.00 H new ATOM 0 HA LEU B 62 65.485 5.025 2.310 1.00 0.00 H new ATOM 0 HB2 LEU B 62 65.527 4.990 0.083 1.00 0.00 H new ATOM 0 HB3 LEU B 62 65.168 3.277 0.162 1.00 0.00 H new ATOM 0 HG LEU B 62 62.664 3.937 0.203 1.00 0.00 H new ATOM 0 HD11 LEU B 62 62.092 6.154 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU B 62 62.936 6.313 0.820 1.00 0.00 H new ATOM 0 HD13 LEU B 62 63.809 6.619 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU B 62 62.663 4.243 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU B 62 64.392 4.658 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU B 62 63.857 3.017 -1.800 1.00 0.00 H new ATOM 2642 N ASP B 63 62.386 4.042 2.643 1.00 0.00 N ATOM 2643 CA ASP B 63 61.039 4.450 3.132 1.00 0.00 C ATOM 2644 C ASP B 63 60.986 4.235 4.650 1.00 0.00 C ATOM 2645 O ASP B 63 59.929 4.064 5.224 1.00 0.00 O ATOM 2646 CB ASP B 63 59.971 3.578 2.466 1.00 0.00 C ATOM 2647 CG ASP B 63 59.876 3.924 0.979 1.00 0.00 C ATOM 2648 OD1 ASP B 63 60.090 5.077 0.642 1.00 0.00 O ATOM 2649 OD2 ASP B 63 59.598 3.027 0.199 1.00 0.00 O ATOM 0 H ASP B 63 62.489 3.042 2.471 1.00 0.00 H new ATOM 0 HA ASP B 63 60.856 5.497 2.891 1.00 0.00 H new ATOM 0 HB2 ASP B 63 60.220 2.524 2.589 1.00 0.00 H new ATOM 0 HB3 ASP B 63 59.006 3.736 2.948 1.00 0.00 H new ATOM 2654 N SER B 64 62.123 4.203 5.301 1.00 0.00 N ATOM 2655 CA SER B 64 62.135 3.955 6.775 1.00 0.00 C ATOM 2656 C SER B 64 61.312 5.022 7.514 1.00 0.00 C ATOM 2657 O SER B 64 60.477 4.704 8.337 1.00 0.00 O ATOM 2658 CB SER B 64 63.584 3.990 7.293 1.00 0.00 C ATOM 2659 OG SER B 64 64.148 2.693 7.194 1.00 0.00 O ATOM 0 H SER B 64 63.041 4.338 4.876 1.00 0.00 H new ATOM 0 HA SER B 64 61.694 2.976 6.962 1.00 0.00 H new ATOM 0 HB2 SER B 64 64.173 4.700 6.713 1.00 0.00 H new ATOM 0 HB3 SER B 64 63.604 4.330 8.328 1.00 0.00 H new ATOM 0 HG SER B 64 65.075 2.762 6.883 1.00 0.00 H new ATOM 2665 N ASN B 65 61.543 6.280 7.246 1.00 0.00 N ATOM 2666 CA ASN B 65 60.769 7.336 7.965 1.00 0.00 C ATOM 2667 C ASN B 65 61.026 8.706 7.329 1.00 0.00 C ATOM 2668 O ASN B 65 61.464 8.809 6.201 1.00 0.00 O ATOM 2669 CB ASN B 65 61.200 7.363 9.437 1.00 0.00 C ATOM 2670 CG ASN B 65 60.134 8.069 10.278 1.00 0.00 C ATOM 2671 OD1 ASN B 65 58.977 8.105 9.908 1.00 0.00 O ATOM 2672 ND2 ASN B 65 60.476 8.634 11.404 1.00 0.00 N ATOM 0 H ASN B 65 62.226 6.620 6.569 1.00 0.00 H new ATOM 0 HA ASN B 65 59.705 7.111 7.896 1.00 0.00 H new ATOM 0 HB2 ASN B 65 61.348 6.346 9.800 1.00 0.00 H new ATOM 0 HB3 ASN B 65 62.155 7.879 9.536 1.00 0.00 H new ATOM 0 HD21 ASN B 65 59.772 9.105 11.973 1.00 0.00 H new ATOM 0 HD22 ASN B 65 61.447 8.604 11.715 1.00 0.00 H new ATOM 2679 N ARG B 66 60.746 9.762 8.051 1.00 0.00 N ATOM 2680 CA ARG B 66 60.965 11.128 7.494 1.00 0.00 C ATOM 2681 C ARG B 66 62.441 11.324 7.134 1.00 0.00 C ATOM 2682 O ARG B 66 62.763 11.914 6.122 1.00 0.00 O ATOM 2683 CB ARG B 66 60.553 12.183 8.529 1.00 0.00 C ATOM 2684 CG ARG B 66 59.032 12.176 8.692 1.00 0.00 C ATOM 2685 CD ARG B 66 58.617 13.247 9.706 1.00 0.00 C ATOM 2686 NE ARG B 66 59.011 14.592 9.193 1.00 0.00 N ATOM 2687 CZ ARG B 66 58.504 15.671 9.726 1.00 0.00 C ATOM 2688 NH1 ARG B 66 57.658 15.577 10.715 1.00 0.00 N ATOM 2689 NH2 ARG B 66 58.846 16.846 9.271 1.00 0.00 N ATOM 0 H ARG B 66 60.376 9.735 9.001 1.00 0.00 H new ATOM 0 HA ARG B 66 60.359 11.239 6.595 1.00 0.00 H new ATOM 0 HB2 ARG B 66 61.032 11.975 9.486 1.00 0.00 H new ATOM 0 HB3 ARG B 66 60.890 13.170 8.211 1.00 0.00 H new ATOM 0 HG2 ARG B 66 58.553 12.365 7.732 1.00 0.00 H new ATOM 0 HG3 ARG B 66 58.697 11.194 9.027 1.00 0.00 H new ATOM 0 HD2 ARG B 66 57.540 13.209 9.872 1.00 0.00 H new ATOM 0 HD3 ARG B 66 59.094 13.058 10.668 1.00 0.00 H new ATOM 0 HE ARG B 66 59.677 14.669 8.425 1.00 0.00 H new ATOM 0 HH11 ARG B 66 57.392 14.660 11.073 1.00 0.00 H new ATOM 0 HH12 ARG B 66 57.263 16.421 11.130 1.00 0.00 H new ATOM 0 HH21 ARG B 66 59.509 16.921 8.499 1.00 0.00 H new ATOM 0 HH22 ARG B 66 58.450 17.689 9.687 1.00 0.00 H new ATOM 2703 N ASP B 67 63.343 10.839 7.944 1.00 0.00 N ATOM 2704 CA ASP B 67 64.786 11.018 7.619 1.00 0.00 C ATOM 2705 C ASP B 67 65.084 10.341 6.281 1.00 0.00 C ATOM 2706 O ASP B 67 64.744 9.194 6.066 1.00 0.00 O ATOM 2707 CB ASP B 67 65.642 10.383 8.719 1.00 0.00 C ATOM 2708 CG ASP B 67 65.526 11.211 10.000 1.00 0.00 C ATOM 2709 OD1 ASP B 67 65.111 12.354 9.908 1.00 0.00 O ATOM 2710 OD2 ASP B 67 65.861 10.689 11.051 1.00 0.00 O ATOM 0 H ASP B 67 63.146 10.332 8.807 1.00 0.00 H new ATOM 0 HA ASP B 67 65.019 12.081 7.553 1.00 0.00 H new ATOM 0 HB2 ASP B 67 65.314 9.360 8.904 1.00 0.00 H new ATOM 0 HB3 ASP B 67 66.683 10.332 8.400 1.00 0.00 H new ATOM 2715 N ASN B 68 65.718 11.041 5.375 1.00 0.00 N ATOM 2716 CA ASN B 68 66.035 10.441 4.046 1.00 0.00 C ATOM 2717 C ASN B 68 67.321 11.057 3.498 1.00 0.00 C ATOM 2718 O ASN B 68 67.322 11.688 2.460 1.00 0.00 O ATOM 2719 CB ASN B 68 64.883 10.708 3.076 1.00 0.00 C ATOM 2720 CG ASN B 68 63.623 9.998 3.578 1.00 0.00 C ATOM 2721 OD1 ASN B 68 63.637 8.805 3.810 1.00 0.00 O ATOM 2722 ND2 ASN B 68 62.531 10.687 3.766 1.00 0.00 N ATOM 0 H ASN B 68 66.030 12.004 5.500 1.00 0.00 H new ATOM 0 HA ASN B 68 66.171 9.365 4.158 1.00 0.00 H new ATOM 0 HB2 ASN B 68 64.702 11.780 2.995 1.00 0.00 H new ATOM 0 HB3 ASN B 68 65.142 10.352 2.079 1.00 0.00 H new ATOM 0 HD21 ASN B 68 61.689 10.224 4.108 1.00 0.00 H new ATOM 0 HD22 ASN B 68 62.520 11.688 3.571 1.00 0.00 H new ATOM 2729 N GLU B 69 68.418 10.871 4.192 1.00 0.00 N ATOM 2730 CA GLU B 69 69.728 11.433 3.729 1.00 0.00 C ATOM 2731 C GLU B 69 70.729 10.298 3.515 1.00 0.00 C ATOM 2732 O GLU B 69 70.729 9.301 4.211 1.00 0.00 O ATOM 2733 CB GLU B 69 70.280 12.400 4.772 1.00 0.00 C ATOM 2734 CG GLU B 69 71.524 13.085 4.215 1.00 0.00 C ATOM 2735 CD GLU B 69 72.010 14.145 5.206 1.00 0.00 C ATOM 2736 OE1 GLU B 69 71.340 14.344 6.206 1.00 0.00 O ATOM 2737 OE2 GLU B 69 73.043 14.739 4.948 1.00 0.00 O ATOM 0 H GLU B 69 68.463 10.349 5.067 1.00 0.00 H new ATOM 0 HA GLU B 69 69.571 11.965 2.791 1.00 0.00 H new ATOM 0 HB2 GLU B 69 69.526 13.144 5.030 1.00 0.00 H new ATOM 0 HB3 GLU B 69 70.526 11.863 5.688 1.00 0.00 H new ATOM 0 HG2 GLU B 69 72.309 12.350 4.039 1.00 0.00 H new ATOM 0 HG3 GLU B 69 71.298 13.547 3.254 1.00 0.00 H new ATOM 2744 N VAL B 70 71.568 10.457 2.539 1.00 0.00 N ATOM 2745 CA VAL B 70 72.591 9.425 2.202 1.00 0.00 C ATOM 2746 C VAL B 70 73.962 10.048 2.355 1.00 0.00 C ATOM 2747 O VAL B 70 74.412 10.796 1.510 1.00 0.00 O ATOM 2748 CB VAL B 70 72.398 9.062 0.734 1.00 0.00 C ATOM 2749 CG1 VAL B 70 73.332 7.934 0.309 1.00 0.00 C ATOM 2750 CG2 VAL B 70 70.945 8.649 0.454 1.00 0.00 C ATOM 0 H VAL B 70 71.592 11.282 1.940 1.00 0.00 H new ATOM 0 HA VAL B 70 72.497 8.550 2.845 1.00 0.00 H new ATOM 0 HB VAL B 70 72.637 9.953 0.153 1.00 0.00 H new ATOM 0 HG11 VAL B 70 73.167 7.702 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL B 70 74.367 8.244 0.454 1.00 0.00 H new ATOM 0 HG13 VAL B 70 73.131 7.049 0.912 1.00 0.00 H new ATOM 0 HG21 VAL B 70 70.836 8.395 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL B 70 70.689 7.783 1.064 1.00 0.00 H new ATOM 0 HG23 VAL B 70 70.278 9.475 0.699 1.00 0.00 H new ATOM 2760 N ASP B 71 74.656 9.716 3.388 1.00 0.00 N ATOM 2761 CA ASP B 71 76.021 10.262 3.535 1.00 0.00 C ATOM 2762 C ASP B 71 76.898 9.405 2.645 1.00 0.00 C ATOM 2763 O ASP B 71 76.474 8.358 2.193 1.00 0.00 O ATOM 2764 CB ASP B 71 76.481 10.161 4.991 1.00 0.00 C ATOM 2765 CG ASP B 71 75.683 11.150 5.843 1.00 0.00 C ATOM 2766 OD1 ASP B 71 75.135 12.082 5.278 1.00 0.00 O ATOM 2767 OD2 ASP B 71 75.637 10.961 7.048 1.00 0.00 O ATOM 0 H ASP B 71 74.344 9.095 4.135 1.00 0.00 H new ATOM 0 HA ASP B 71 76.068 11.315 3.257 1.00 0.00 H new ATOM 0 HB2 ASP B 71 76.336 9.146 5.360 1.00 0.00 H new ATOM 0 HB3 ASP B 71 77.547 10.378 5.064 1.00 0.00 H new ATOM 2772 N PHE B 72 78.098 9.800 2.367 1.00 0.00 N ATOM 2773 CA PHE B 72 78.929 8.950 1.494 1.00 0.00 C ATOM 2774 C PHE B 72 78.971 7.556 2.116 1.00 0.00 C ATOM 2775 O PHE B 72 78.898 6.549 1.440 1.00 0.00 O ATOM 2776 CB PHE B 72 80.339 9.525 1.400 1.00 0.00 C ATOM 2777 CG PHE B 72 81.075 8.804 0.310 1.00 0.00 C ATOM 2778 CD1 PHE B 72 81.015 9.294 -0.996 1.00 0.00 C ATOM 2779 CD2 PHE B 72 81.799 7.646 0.595 1.00 0.00 C ATOM 2780 CE1 PHE B 72 81.678 8.626 -2.022 1.00 0.00 C ATOM 2781 CE2 PHE B 72 82.468 6.974 -0.432 1.00 0.00 C ATOM 2782 CZ PHE B 72 82.409 7.464 -1.744 1.00 0.00 C ATOM 0 H PHE B 72 78.534 10.660 2.700 1.00 0.00 H new ATOM 0 HA PHE B 72 78.512 8.907 0.488 1.00 0.00 H new ATOM 0 HB2 PHE B 72 80.299 10.593 1.188 1.00 0.00 H new ATOM 0 HB3 PHE B 72 80.860 9.408 2.350 1.00 0.00 H new ATOM 0 HD1 PHE B 72 80.454 10.192 -1.210 1.00 0.00 H new ATOM 0 HD2 PHE B 72 81.842 7.270 1.606 1.00 0.00 H new ATOM 0 HE1 PHE B 72 81.629 9.004 -3.033 1.00 0.00 H new ATOM 0 HE2 PHE B 72 83.030 6.078 -0.215 1.00 0.00 H new ATOM 0 HZ PHE B 72 82.926 6.947 -2.539 1.00 0.00 H new ATOM 2792 N GLN B 73 79.074 7.505 3.412 1.00 0.00 N ATOM 2793 CA GLN B 73 79.106 6.199 4.118 1.00 0.00 C ATOM 2794 C GLN B 73 77.771 5.459 3.938 1.00 0.00 C ATOM 2795 O GLN B 73 77.754 4.260 3.756 1.00 0.00 O ATOM 2796 CB GLN B 73 79.366 6.442 5.605 1.00 0.00 C ATOM 2797 CG GLN B 73 79.559 5.108 6.328 1.00 0.00 C ATOM 2798 CD GLN B 73 79.877 5.378 7.800 1.00 0.00 C ATOM 2799 OE1 GLN B 73 80.177 6.495 8.173 1.00 0.00 O ATOM 2800 NE2 GLN B 73 79.822 4.397 8.659 1.00 0.00 N ATOM 0 H GLN B 73 79.138 8.323 4.019 1.00 0.00 H new ATOM 0 HA GLN B 73 79.902 5.584 3.698 1.00 0.00 H new ATOM 0 HB2 GLN B 73 80.252 7.064 5.731 1.00 0.00 H new ATOM 0 HB3 GLN B 73 78.530 6.985 6.045 1.00 0.00 H new ATOM 0 HG2 GLN B 73 78.658 4.501 6.243 1.00 0.00 H new ATOM 0 HG3 GLN B 73 80.369 4.543 5.866 1.00 0.00 H new ATOM 0 HE21 GLN B 73 79.570 3.459 8.347 1.00 0.00 H new ATOM 0 HE22 GLN B 73 80.031 4.568 9.643 1.00 0.00 H new ATOM 2809 N GLU B 74 76.645 6.140 3.990 1.00 0.00 N ATOM 2810 CA GLU B 74 75.355 5.420 3.827 1.00 0.00 C ATOM 2811 C GLU B 74 75.269 4.834 2.428 1.00 0.00 C ATOM 2812 O GLU B 74 74.797 3.731 2.237 1.00 0.00 O ATOM 2813 CB GLU B 74 74.190 6.377 4.063 1.00 0.00 C ATOM 2814 CG GLU B 74 74.122 6.752 5.544 1.00 0.00 C ATOM 2815 CD GLU B 74 73.675 5.536 6.359 1.00 0.00 C ATOM 2816 OE1 GLU B 74 73.145 4.612 5.765 1.00 0.00 O ATOM 2817 OE2 GLU B 74 73.867 5.552 7.564 1.00 0.00 O ATOM 0 H GLU B 74 76.572 7.147 4.136 1.00 0.00 H new ATOM 0 HA GLU B 74 75.302 4.613 4.557 1.00 0.00 H new ATOM 0 HB2 GLU B 74 74.315 7.274 3.456 1.00 0.00 H new ATOM 0 HB3 GLU B 74 73.255 5.910 3.753 1.00 0.00 H new ATOM 0 HG2 GLU B 74 75.098 7.095 5.888 1.00 0.00 H new ATOM 0 HG3 GLU B 74 73.425 7.577 5.689 1.00 0.00 H new ATOM 2824 N TYR B 75 75.714 5.555 1.444 1.00 0.00 N ATOM 2825 CA TYR B 75 75.641 5.017 0.066 1.00 0.00 C ATOM 2826 C TYR B 75 76.449 3.719 0.010 1.00 0.00 C ATOM 2827 O TYR B 75 76.054 2.746 -0.600 1.00 0.00 O ATOM 2828 CB TYR B 75 76.220 6.033 -0.923 1.00 0.00 C ATOM 2829 CG TYR B 75 76.232 5.438 -2.315 1.00 0.00 C ATOM 2830 CD1 TYR B 75 75.034 5.034 -2.916 1.00 0.00 C ATOM 2831 CD2 TYR B 75 77.445 5.285 -3.005 1.00 0.00 C ATOM 2832 CE1 TYR B 75 75.046 4.481 -4.200 1.00 0.00 C ATOM 2833 CE2 TYR B 75 77.454 4.733 -4.291 1.00 0.00 C ATOM 2834 CZ TYR B 75 76.255 4.331 -4.889 1.00 0.00 C ATOM 2835 OH TYR B 75 76.264 3.786 -6.158 1.00 0.00 O ATOM 0 H TYR B 75 76.122 6.486 1.533 1.00 0.00 H new ATOM 0 HA TYR B 75 74.603 4.823 -0.204 1.00 0.00 H new ATOM 0 HB2 TYR B 75 75.625 6.946 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR B 75 77.232 6.309 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR B 75 74.099 5.150 -2.387 1.00 0.00 H new ATOM 0 HD2 TYR B 75 78.371 5.593 -2.543 1.00 0.00 H new ATOM 0 HE1 TYR B 75 74.121 4.169 -4.661 1.00 0.00 H new ATOM 0 HE2 TYR B 75 78.387 4.617 -4.822 1.00 0.00 H new ATOM 0 HH TYR B 75 77.184 3.754 -6.494 1.00 0.00 H new ATOM 2845 N CYS B 76 77.574 3.700 0.668 1.00 0.00 N ATOM 2846 CA CYS B 76 78.421 2.481 0.701 1.00 0.00 C ATOM 2847 C CYS B 76 77.699 1.419 1.523 1.00 0.00 C ATOM 2848 O CYS B 76 77.721 0.249 1.195 1.00 0.00 O ATOM 2849 CB CYS B 76 79.772 2.805 1.347 1.00 0.00 C ATOM 2850 SG CYS B 76 80.581 4.131 0.420 1.00 0.00 S ATOM 0 H CYS B 76 77.946 4.492 1.192 1.00 0.00 H new ATOM 0 HA CYS B 76 78.596 2.118 -0.312 1.00 0.00 H new ATOM 0 HB2 CYS B 76 79.628 3.107 2.384 1.00 0.00 H new ATOM 0 HB3 CYS B 76 80.404 1.917 1.359 1.00 0.00 H new ATOM 0 HG CYS B 76 80.015 5.266 0.704 1.00 0.00 H new ATOM 2856 N VAL B 77 77.041 1.813 2.584 1.00 0.00 N ATOM 2857 CA VAL B 77 76.312 0.805 3.390 1.00 0.00 C ATOM 2858 C VAL B 77 75.283 0.158 2.474 1.00 0.00 C ATOM 2859 O VAL B 77 75.076 -1.039 2.500 1.00 0.00 O ATOM 2860 CB VAL B 77 75.605 1.486 4.569 1.00 0.00 C ATOM 2861 CG1 VAL B 77 74.657 0.490 5.247 1.00 0.00 C ATOM 2862 CG2 VAL B 77 76.648 1.976 5.586 1.00 0.00 C ATOM 0 H VAL B 77 76.981 2.775 2.918 1.00 0.00 H new ATOM 0 HA VAL B 77 76.999 0.060 3.792 1.00 0.00 H new ATOM 0 HB VAL B 77 75.032 2.337 4.200 1.00 0.00 H new ATOM 0 HG11 VAL B 77 74.156 0.976 6.084 1.00 0.00 H new ATOM 0 HG12 VAL B 77 73.913 0.149 4.528 1.00 0.00 H new ATOM 0 HG13 VAL B 77 75.227 -0.364 5.612 1.00 0.00 H new ATOM 0 HG21 VAL B 77 76.142 2.459 6.422 1.00 0.00 H new ATOM 0 HG22 VAL B 77 77.225 1.127 5.953 1.00 0.00 H new ATOM 0 HG23 VAL B 77 77.317 2.690 5.106 1.00 0.00 H new ATOM 2872 N PHE B 78 74.654 0.942 1.639 1.00 0.00 N ATOM 2873 CA PHE B 78 73.664 0.360 0.702 1.00 0.00 C ATOM 2874 C PHE B 78 74.404 -0.492 -0.331 1.00 0.00 C ATOM 2875 O PHE B 78 73.968 -1.576 -0.664 1.00 0.00 O ATOM 2876 CB PHE B 78 72.879 1.474 0.004 1.00 0.00 C ATOM 2877 CG PHE B 78 71.868 2.059 0.969 1.00 0.00 C ATOM 2878 CD1 PHE B 78 70.808 1.269 1.430 1.00 0.00 C ATOM 2879 CD2 PHE B 78 71.988 3.387 1.401 1.00 0.00 C ATOM 2880 CE1 PHE B 78 69.871 1.803 2.321 1.00 0.00 C ATOM 2881 CE2 PHE B 78 71.049 3.922 2.292 1.00 0.00 C ATOM 2882 CZ PHE B 78 69.991 3.130 2.753 1.00 0.00 C ATOM 0 H PHE B 78 74.785 1.951 1.569 1.00 0.00 H new ATOM 0 HA PHE B 78 72.958 -0.262 1.253 1.00 0.00 H new ATOM 0 HB2 PHE B 78 73.560 2.252 -0.342 1.00 0.00 H new ATOM 0 HB3 PHE B 78 72.372 1.080 -0.876 1.00 0.00 H new ATOM 0 HD1 PHE B 78 70.714 0.246 1.097 1.00 0.00 H new ATOM 0 HD2 PHE B 78 72.805 3.998 1.047 1.00 0.00 H new ATOM 0 HE1 PHE B 78 69.055 1.192 2.676 1.00 0.00 H new ATOM 0 HE2 PHE B 78 71.141 4.946 2.623 1.00 0.00 H new ATOM 0 HZ PHE B 78 69.268 3.542 3.441 1.00 0.00 H new ATOM 2892 N LEU B 79 75.539 -0.048 -0.822 1.00 0.00 N ATOM 2893 CA LEU B 79 76.273 -0.916 -1.797 1.00 0.00 C ATOM 2894 C LEU B 79 76.827 -2.123 -1.047 1.00 0.00 C ATOM 2895 O LEU B 79 76.842 -3.229 -1.541 1.00 0.00 O ATOM 2896 CB LEU B 79 77.429 -0.164 -2.474 1.00 0.00 C ATOM 2897 CG LEU B 79 76.906 0.855 -3.502 1.00 0.00 C ATOM 2898 CD1 LEU B 79 78.109 1.590 -4.114 1.00 0.00 C ATOM 2899 CD2 LEU B 79 76.110 0.137 -4.621 1.00 0.00 C ATOM 0 H LEU B 79 75.976 0.846 -0.599 1.00 0.00 H new ATOM 0 HA LEU B 79 75.578 -1.225 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU B 79 78.023 0.350 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU B 79 78.089 -0.877 -2.968 1.00 0.00 H new ATOM 0 HG LEU B 79 76.240 1.562 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU B 79 77.757 2.317 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU B 79 78.660 2.105 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU B 79 78.764 0.870 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU B 79 75.748 0.873 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU B 79 76.759 -0.577 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU B 79 75.263 -0.391 -4.183 1.00 0.00 H new ATOM 2911 N SER B 80 77.277 -1.916 0.152 1.00 0.00 N ATOM 2912 CA SER B 80 77.816 -3.049 0.943 1.00 0.00 C ATOM 2913 C SER B 80 76.703 -4.065 1.108 1.00 0.00 C ATOM 2914 O SER B 80 76.903 -5.255 1.002 1.00 0.00 O ATOM 2915 CB SER B 80 78.255 -2.554 2.318 1.00 0.00 C ATOM 2916 OG SER B 80 79.397 -1.720 2.177 1.00 0.00 O ATOM 0 H SER B 80 77.295 -1.010 0.620 1.00 0.00 H new ATOM 0 HA SER B 80 78.674 -3.492 0.438 1.00 0.00 H new ATOM 0 HB2 SER B 80 77.444 -2.002 2.794 1.00 0.00 H new ATOM 0 HB3 SER B 80 78.487 -3.400 2.964 1.00 0.00 H new ATOM 0 HG SER B 80 80.023 -2.127 1.542 1.00 0.00 H new ATOM 2922 N CYS B 81 75.514 -3.589 1.337 1.00 0.00 N ATOM 2923 CA CYS B 81 74.364 -4.505 1.487 1.00 0.00 C ATOM 2924 C CYS B 81 74.160 -5.225 0.164 1.00 0.00 C ATOM 2925 O CYS B 81 73.738 -6.361 0.120 1.00 0.00 O ATOM 2926 CB CYS B 81 73.106 -3.704 1.837 1.00 0.00 C ATOM 2927 SG CYS B 81 71.663 -4.796 1.812 1.00 0.00 S ATOM 0 H CYS B 81 75.292 -2.597 1.427 1.00 0.00 H new ATOM 0 HA CYS B 81 74.554 -5.223 2.285 1.00 0.00 H new ATOM 0 HB2 CYS B 81 73.214 -3.250 2.822 1.00 0.00 H new ATOM 0 HB3 CYS B 81 72.971 -2.890 1.124 1.00 0.00 H new ATOM 0 HG CYS B 81 71.921 -5.839 1.080 1.00 0.00 H new ATOM 2933 N ILE B 82 74.467 -4.574 -0.920 1.00 0.00 N ATOM 2934 CA ILE B 82 74.291 -5.238 -2.243 1.00 0.00 C ATOM 2935 C ILE B 82 75.336 -6.346 -2.383 1.00 0.00 C ATOM 2936 O ILE B 82 75.062 -7.415 -2.889 1.00 0.00 O ATOM 2937 CB ILE B 82 74.443 -4.211 -3.376 1.00 0.00 C ATOM 2938 CG1 ILE B 82 73.269 -3.203 -3.334 1.00 0.00 C ATOM 2939 CG2 ILE B 82 74.481 -4.935 -4.733 1.00 0.00 C ATOM 2940 CD1 ILE B 82 72.031 -3.760 -4.056 1.00 0.00 C ATOM 0 H ILE B 82 74.829 -3.621 -0.951 1.00 0.00 H new ATOM 0 HA ILE B 82 73.292 -5.670 -2.308 1.00 0.00 H new ATOM 0 HB ILE B 82 75.377 -3.664 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE B 82 73.018 -2.977 -2.298 1.00 0.00 H new ATOM 0 HG13 ILE B 82 73.574 -2.266 -3.800 1.00 0.00 H new ATOM 0 HG21 ILE B 82 74.589 -4.203 -5.533 1.00 0.00 H new ATOM 0 HG22 ILE B 82 75.326 -5.623 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE B 82 73.555 -5.493 -4.874 1.00 0.00 H new ATOM 0 HD11 ILE B 82 71.223 -3.029 -4.010 1.00 0.00 H new ATOM 0 HD12 ILE B 82 72.278 -3.962 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE B 82 71.713 -4.684 -3.573 1.00 0.00 H new ATOM 2952 N ALA B 83 76.536 -6.097 -1.942 1.00 0.00 N ATOM 2953 CA ALA B 83 77.600 -7.136 -2.051 1.00 0.00 C ATOM 2954 C ALA B 83 77.194 -8.399 -1.280 1.00 0.00 C ATOM 2955 O ALA B 83 77.273 -9.494 -1.794 1.00 0.00 O ATOM 2956 CB ALA B 83 78.905 -6.589 -1.480 1.00 0.00 C ATOM 0 H ALA B 83 76.828 -5.220 -1.511 1.00 0.00 H new ATOM 0 HA ALA B 83 77.736 -7.393 -3.102 1.00 0.00 H new ATOM 0 HB1 ALA B 83 79.683 -7.348 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA B 83 79.204 -5.703 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA B 83 78.761 -6.325 -0.432 1.00 0.00 H new ATOM 2962 N MET B 84 76.759 -8.271 -0.054 1.00 0.00 N ATOM 2963 CA MET B 84 76.361 -9.498 0.703 1.00 0.00 C ATOM 2964 C MET B 84 75.223 -10.178 -0.039 1.00 0.00 C ATOM 2965 O MET B 84 75.160 -11.388 -0.129 1.00 0.00 O ATOM 2966 CB MET B 84 75.917 -9.148 2.126 1.00 0.00 C ATOM 2967 CG MET B 84 77.141 -8.840 3.004 1.00 0.00 C ATOM 2968 SD MET B 84 77.761 -7.189 2.626 1.00 0.00 S ATOM 2969 CE MET B 84 76.651 -6.290 3.734 1.00 0.00 C ATOM 0 H MET B 84 76.663 -7.389 0.449 1.00 0.00 H new ATOM 0 HA MET B 84 77.219 -10.166 0.775 1.00 0.00 H new ATOM 0 HB2 MET B 84 75.250 -8.286 2.105 1.00 0.00 H new ATOM 0 HB3 MET B 84 75.353 -9.977 2.553 1.00 0.00 H new ATOM 0 HG2 MET B 84 76.870 -8.905 4.058 1.00 0.00 H new ATOM 0 HG3 MET B 84 77.921 -9.581 2.829 1.00 0.00 H new ATOM 0 HE1 MET B 84 76.744 -5.219 3.552 1.00 0.00 H new ATOM 0 HE2 MET B 84 75.623 -6.602 3.550 1.00 0.00 H new ATOM 0 HE3 MET B 84 76.916 -6.506 4.769 1.00 0.00 H new ATOM 2979 N MET B 85 74.331 -9.411 -0.586 1.00 0.00 N ATOM 2980 CA MET B 85 73.211 -10.018 -1.338 1.00 0.00 C ATOM 2981 C MET B 85 73.810 -10.832 -2.476 1.00 0.00 C ATOM 2982 O MET B 85 73.283 -11.857 -2.856 1.00 0.00 O ATOM 2983 CB MET B 85 72.306 -8.918 -1.904 1.00 0.00 C ATOM 2984 CG MET B 85 71.474 -8.302 -0.777 1.00 0.00 C ATOM 2985 SD MET B 85 70.242 -9.502 -0.211 1.00 0.00 S ATOM 2986 CE MET B 85 69.224 -9.534 -1.712 1.00 0.00 C ATOM 0 H MET B 85 74.330 -8.392 -0.545 1.00 0.00 H new ATOM 0 HA MET B 85 72.611 -10.653 -0.686 1.00 0.00 H new ATOM 0 HB2 MET B 85 72.910 -8.149 -2.385 1.00 0.00 H new ATOM 0 HB3 MET B 85 71.649 -9.332 -2.669 1.00 0.00 H new ATOM 0 HG2 MET B 85 72.121 -8.012 0.050 1.00 0.00 H new ATOM 0 HG3 MET B 85 70.980 -7.396 -1.128 1.00 0.00 H new ATOM 0 HE1 MET B 85 68.209 -9.837 -1.457 1.00 0.00 H new ATOM 0 HE2 MET B 85 69.204 -8.540 -2.159 1.00 0.00 H new ATOM 0 HE3 MET B 85 69.647 -10.244 -2.423 1.00 0.00 H new ATOM 2996 N CYS B 86 74.927 -10.394 -3.007 1.00 0.00 N ATOM 2997 CA CYS B 86 75.571 -11.168 -4.109 1.00 0.00 C ATOM 2998 C CYS B 86 76.860 -10.474 -4.555 1.00 0.00 C ATOM 2999 O CYS B 86 76.899 -9.823 -5.578 1.00 0.00 O ATOM 3000 CB CYS B 86 74.613 -11.269 -5.307 1.00 0.00 C ATOM 3001 SG CYS B 86 75.515 -11.843 -6.769 1.00 0.00 S ATOM 0 H CYS B 86 75.414 -9.543 -2.727 1.00 0.00 H new ATOM 0 HA CYS B 86 75.805 -12.167 -3.742 1.00 0.00 H new ATOM 0 HB2 CYS B 86 73.800 -11.957 -5.077 1.00 0.00 H new ATOM 0 HB3 CYS B 86 74.161 -10.297 -5.506 1.00 0.00 H new ATOM 0 HG CYS B 86 76.598 -11.139 -6.915 1.00 0.00 H new ATOM 3007 N ASN B 87 77.917 -10.614 -3.806 1.00 0.00 N ATOM 3008 CA ASN B 87 79.195 -9.963 -4.211 1.00 0.00 C ATOM 3009 C ASN B 87 79.713 -10.619 -5.495 1.00 0.00 C ATOM 3010 O ASN B 87 80.207 -9.959 -6.386 1.00 0.00 O ATOM 3011 CB ASN B 87 80.236 -10.116 -3.095 1.00 0.00 C ATOM 3012 CG ASN B 87 80.652 -11.583 -2.961 1.00 0.00 C ATOM 3013 OD1 ASN B 87 79.893 -12.476 -3.281 1.00 0.00 O ATOM 3014 ND2 ASN B 87 81.837 -11.871 -2.496 1.00 0.00 N ATOM 0 H ASN B 87 77.953 -11.147 -2.937 1.00 0.00 H new ATOM 0 HA ASN B 87 79.020 -8.902 -4.388 1.00 0.00 H new ATOM 0 HB2 ASN B 87 81.109 -9.501 -3.314 1.00 0.00 H new ATOM 0 HB3 ASN B 87 79.824 -9.759 -2.151 1.00 0.00 H new ATOM 0 HD21 ASN B 87 82.125 -12.845 -2.402 1.00 0.00 H new ATOM 0 HD22 ASN B 87 82.475 -11.122 -2.227 1.00 0.00 H new ATOM 3021 N GLU B 88 79.596 -11.916 -5.598 1.00 0.00 N ATOM 3022 CA GLU B 88 80.071 -12.618 -6.824 1.00 0.00 C ATOM 3023 C GLU B 88 79.412 -13.996 -6.892 1.00 0.00 C ATOM 3024 O GLU B 88 78.998 -14.449 -7.940 1.00 0.00 O ATOM 3025 CB GLU B 88 81.592 -12.773 -6.771 1.00 0.00 C ATOM 3026 CG GLU B 88 82.092 -13.392 -8.078 1.00 0.00 C ATOM 3027 CD GLU B 88 83.614 -13.534 -8.025 1.00 0.00 C ATOM 3028 OE1 GLU B 88 84.201 -13.057 -7.067 1.00 0.00 O ATOM 3029 OE2 GLU B 88 84.169 -14.114 -8.944 1.00 0.00 O ATOM 0 H GLU B 88 79.191 -12.521 -4.883 1.00 0.00 H new ATOM 0 HA GLU B 88 79.805 -12.039 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU B 88 82.061 -11.802 -6.614 1.00 0.00 H new ATOM 0 HB3 GLU B 88 81.874 -13.403 -5.927 1.00 0.00 H new ATOM 0 HG2 GLU B 88 81.630 -14.367 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU B 88 81.804 -12.767 -8.923 1.00 0.00 H new ATOM 3036 N PHE B 89 79.306 -14.663 -5.773 1.00 0.00 N ATOM 3037 CA PHE B 89 78.667 -16.007 -5.760 1.00 0.00 C ATOM 3038 C PHE B 89 77.167 -15.854 -6.015 1.00 0.00 C ATOM 3039 O PHE B 89 76.564 -14.868 -5.638 1.00 0.00 O ATOM 3040 CB PHE B 89 78.877 -16.664 -4.393 1.00 0.00 C ATOM 3041 CG PHE B 89 80.341 -16.974 -4.194 1.00 0.00 C ATOM 3042 CD1 PHE B 89 80.866 -18.195 -4.636 1.00 0.00 C ATOM 3043 CD2 PHE B 89 81.173 -16.044 -3.559 1.00 0.00 C ATOM 3044 CE1 PHE B 89 82.222 -18.485 -4.444 1.00 0.00 C ATOM 3045 CE2 PHE B 89 82.530 -16.334 -3.367 1.00 0.00 C ATOM 3046 CZ PHE B 89 83.054 -17.554 -3.811 1.00 0.00 C ATOM 0 H PHE B 89 79.636 -14.332 -4.866 1.00 0.00 H new ATOM 0 HA PHE B 89 79.115 -16.628 -6.536 1.00 0.00 H new ATOM 0 HB2 PHE B 89 78.526 -16.001 -3.603 1.00 0.00 H new ATOM 0 HB3 PHE B 89 78.290 -17.580 -4.325 1.00 0.00 H new ATOM 0 HD1 PHE B 89 80.224 -18.913 -5.125 1.00 0.00 H new ATOM 0 HD2 PHE B 89 80.768 -15.103 -3.217 1.00 0.00 H new ATOM 0 HE1 PHE B 89 82.626 -19.427 -4.784 1.00 0.00 H new ATOM 0 HE2 PHE B 89 83.172 -15.617 -2.877 1.00 0.00 H new ATOM 0 HZ PHE B 89 84.101 -17.777 -3.665 1.00 0.00 H new ATOM 3056 N PHE B 90 76.558 -16.818 -6.648 1.00 0.00 N ATOM 3057 CA PHE B 90 75.097 -16.720 -6.919 1.00 0.00 C ATOM 3058 C PHE B 90 74.340 -17.175 -5.675 1.00 0.00 C ATOM 3059 O PHE B 90 73.138 -17.023 -5.572 1.00 0.00 O ATOM 3060 CB PHE B 90 74.738 -17.637 -8.088 1.00 0.00 C ATOM 3061 CG PHE B 90 75.600 -17.285 -9.270 1.00 0.00 C ATOM 3062 CD1 PHE B 90 75.184 -16.307 -10.180 1.00 0.00 C ATOM 3063 CD2 PHE B 90 76.823 -17.937 -9.452 1.00 0.00 C ATOM 3064 CE1 PHE B 90 75.994 -15.980 -11.273 1.00 0.00 C ATOM 3065 CE2 PHE B 90 77.632 -17.612 -10.544 1.00 0.00 C ATOM 3066 CZ PHE B 90 77.219 -16.634 -11.456 1.00 0.00 C ATOM 0 H PHE B 90 77.008 -17.668 -6.989 1.00 0.00 H new ATOM 0 HA PHE B 90 74.830 -15.693 -7.167 1.00 0.00 H new ATOM 0 HB2 PHE B 90 74.890 -18.680 -7.809 1.00 0.00 H new ATOM 0 HB3 PHE B 90 73.684 -17.526 -8.344 1.00 0.00 H new ATOM 0 HD1 PHE B 90 74.238 -15.805 -10.039 1.00 0.00 H new ATOM 0 HD2 PHE B 90 77.143 -18.692 -8.749 1.00 0.00 H new ATOM 0 HE1 PHE B 90 75.675 -15.224 -11.975 1.00 0.00 H new ATOM 0 HE2 PHE B 90 78.577 -18.116 -10.684 1.00 0.00 H new ATOM 0 HZ PHE B 90 77.844 -16.384 -12.300 1.00 0.00 H new ATOM 3076 N GLU B 91 75.041 -17.734 -4.730 1.00 0.00 N ATOM 3077 CA GLU B 91 74.374 -18.206 -3.484 1.00 0.00 C ATOM 3078 C GLU B 91 73.747 -17.013 -2.762 1.00 0.00 C ATOM 3079 O GLU B 91 74.381 -15.998 -2.551 1.00 0.00 O ATOM 3080 CB GLU B 91 75.406 -18.874 -2.571 1.00 0.00 C ATOM 3081 CG GLU B 91 74.706 -19.442 -1.334 1.00 0.00 C ATOM 3082 CD GLU B 91 75.736 -20.115 -0.426 1.00 0.00 C ATOM 3083 OE1 GLU B 91 76.873 -20.249 -0.849 1.00 0.00 O ATOM 3084 OE2 GLU B 91 75.371 -20.483 0.679 1.00 0.00 O ATOM 0 H GLU B 91 76.049 -17.885 -4.766 1.00 0.00 H new ATOM 0 HA GLU B 91 73.597 -18.927 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU B 91 75.920 -19.671 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU B 91 76.164 -18.150 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU B 91 74.196 -18.644 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU B 91 73.944 -20.162 -1.633 1.00 0.00 H new ATOM 3091 N GLY B 92 72.506 -17.128 -2.380 1.00 0.00 N ATOM 3092 CA GLY B 92 71.839 -16.002 -1.669 1.00 0.00 C ATOM 3093 C GLY B 92 72.265 -16.005 -0.202 1.00 0.00 C ATOM 3094 O GLY B 92 72.423 -17.046 0.404 1.00 0.00 O ATOM 0 H GLY B 92 71.925 -17.953 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY B 92 72.107 -15.054 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY B 92 70.756 -16.100 -1.745 1.00 0.00 H new ATOM 3098 N PHE B 93 72.451 -14.845 0.377 1.00 0.00 N ATOM 3099 CA PHE B 93 72.864 -14.767 1.812 1.00 0.00 C ATOM 3100 C PHE B 93 71.635 -14.407 2.675 1.00 0.00 C ATOM 3101 O PHE B 93 71.179 -13.280 2.631 1.00 0.00 O ATOM 3102 CB PHE B 93 73.911 -13.661 1.962 1.00 0.00 C ATOM 3103 CG PHE B 93 75.211 -14.108 1.332 1.00 0.00 C ATOM 3104 CD1 PHE B 93 75.334 -14.160 -0.062 1.00 0.00 C ATOM 3105 CD2 PHE B 93 76.295 -14.473 2.143 1.00 0.00 C ATOM 3106 CE1 PHE B 93 76.539 -14.576 -0.645 1.00 0.00 C ATOM 3107 CE2 PHE B 93 77.498 -14.890 1.560 1.00 0.00 C ATOM 3108 CZ PHE B 93 77.620 -14.940 0.167 1.00 0.00 C ATOM 0 H PHE B 93 72.334 -13.944 -0.086 1.00 0.00 H new ATOM 0 HA PHE B 93 73.275 -15.724 2.133 1.00 0.00 H new ATOM 0 HB2 PHE B 93 73.559 -12.746 1.486 1.00 0.00 H new ATOM 0 HB3 PHE B 93 74.065 -13.432 3.017 1.00 0.00 H new ATOM 0 HD1 PHE B 93 74.500 -13.879 -0.688 1.00 0.00 H new ATOM 0 HD2 PHE B 93 76.202 -14.433 3.218 1.00 0.00 H new ATOM 0 HE1 PHE B 93 76.634 -14.616 -1.720 1.00 0.00 H new ATOM 0 HE2 PHE B 93 78.332 -15.173 2.186 1.00 0.00 H new ATOM 0 HZ PHE B 93 78.549 -15.260 -0.282 1.00 0.00 H new ATOM 3118 N PRO B 94 71.087 -15.321 3.460 1.00 0.00 N ATOM 3119 CA PRO B 94 69.901 -14.978 4.297 1.00 0.00 C ATOM 3120 C PRO B 94 70.269 -14.050 5.464 1.00 0.00 C ATOM 3121 O PRO B 94 69.534 -13.925 6.424 1.00 0.00 O ATOM 3122 CB PRO B 94 69.430 -16.359 4.799 1.00 0.00 C ATOM 3123 CG PRO B 94 70.528 -17.394 4.480 1.00 0.00 C ATOM 3124 CD PRO B 94 71.580 -16.727 3.571 1.00 0.00 C ATOM 0 HA PRO B 94 69.135 -14.431 3.747 1.00 0.00 H new ATOM 0 HB2 PRO B 94 69.239 -16.327 5.872 1.00 0.00 H new ATOM 0 HB3 PRO B 94 68.494 -16.639 4.316 1.00 0.00 H new ATOM 0 HG2 PRO B 94 70.993 -17.749 5.400 1.00 0.00 H new ATOM 0 HG3 PRO B 94 70.096 -18.264 3.985 1.00 0.00 H new ATOM 0 HD2 PRO B 94 72.577 -16.771 4.008 1.00 0.00 H new ATOM 0 HD3 PRO B 94 71.637 -17.212 2.597 1.00 0.00 H new ATOM 3132 N ASP B 95 71.399 -13.401 5.390 1.00 0.00 N ATOM 3133 CA ASP B 95 71.802 -12.490 6.497 1.00 0.00 C ATOM 3134 C ASP B 95 73.022 -11.668 6.073 1.00 0.00 C ATOM 3135 O ASP B 95 73.821 -12.097 5.264 1.00 0.00 O ATOM 3136 CB ASP B 95 72.156 -13.319 7.733 1.00 0.00 C ATOM 3137 CG ASP B 95 73.349 -14.221 7.415 1.00 0.00 C ATOM 3138 OD1 ASP B 95 73.586 -14.465 6.244 1.00 0.00 O ATOM 3139 OD2 ASP B 95 74.011 -14.647 8.348 1.00 0.00 O ATOM 0 H ASP B 95 72.058 -13.462 4.614 1.00 0.00 H new ATOM 0 HA ASP B 95 70.976 -11.818 6.729 1.00 0.00 H new ATOM 0 HB2 ASP B 95 72.396 -12.662 8.569 1.00 0.00 H new ATOM 0 HB3 ASP B 95 71.301 -13.922 8.037 1.00 0.00 H new ATOM 3144 N LYS B 96 73.175 -10.492 6.621 1.00 0.00 N ATOM 3145 CA LYS B 96 74.347 -9.642 6.259 1.00 0.00 C ATOM 3146 C LYS B 96 75.547 -10.065 7.110 1.00 0.00 C ATOM 3147 O LYS B 96 76.664 -9.646 6.880 1.00 0.00 O ATOM 3148 CB LYS B 96 74.016 -8.174 6.545 1.00 0.00 C ATOM 3149 CG LYS B 96 72.961 -7.686 5.551 1.00 0.00 C ATOM 3150 CD LYS B 96 72.443 -6.306 5.978 1.00 0.00 C ATOM 3151 CE LYS B 96 73.562 -5.262 5.870 1.00 0.00 C ATOM 3152 NZ LYS B 96 74.426 -5.329 7.084 1.00 0.00 N ATOM 0 H LYS B 96 72.538 -10.083 7.305 1.00 0.00 H new ATOM 0 HA LYS B 96 74.581 -9.763 5.201 1.00 0.00 H new ATOM 0 HB2 LYS B 96 73.648 -8.065 7.565 1.00 0.00 H new ATOM 0 HB3 LYS B 96 74.916 -7.565 6.464 1.00 0.00 H new ATOM 0 HG2 LYS B 96 73.389 -7.630 4.550 1.00 0.00 H new ATOM 0 HG3 LYS B 96 72.135 -8.396 5.505 1.00 0.00 H new ATOM 0 HD2 LYS B 96 71.602 -6.015 5.349 1.00 0.00 H new ATOM 0 HD3 LYS B 96 72.074 -6.349 7.003 1.00 0.00 H new ATOM 0 HE2 LYS B 96 74.158 -5.444 4.976 1.00 0.00 H new ATOM 0 HE3 LYS B 96 73.134 -4.264 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 74.505 -4.382 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 74.004 -5.982 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 75.372 -5.669 6.818 1.00 0.00 H new ATOM 3166 N GLN B 97 75.319 -10.895 8.097 1.00 0.00 N ATOM 3167 CA GLN B 97 76.436 -11.356 8.978 1.00 0.00 C ATOM 3168 C GLN B 97 76.999 -12.684 8.435 1.00 0.00 C ATOM 3169 O GLN B 97 76.278 -13.449 7.826 1.00 0.00 O ATOM 3170 CB GLN B 97 75.888 -11.577 10.394 1.00 0.00 C ATOM 3171 CG GLN B 97 75.671 -10.226 11.077 1.00 0.00 C ATOM 3172 CD GLN B 97 74.983 -10.442 12.426 1.00 0.00 C ATOM 3173 OE1 GLN B 97 75.280 -9.763 13.388 1.00 0.00 O ATOM 3174 NE2 GLN B 97 74.069 -11.368 12.536 1.00 0.00 N ATOM 0 H GLN B 97 74.402 -11.275 8.332 1.00 0.00 H new ATOM 0 HA GLN B 97 77.228 -10.608 8.998 1.00 0.00 H new ATOM 0 HB2 GLN B 97 74.949 -12.128 10.349 1.00 0.00 H new ATOM 0 HB3 GLN B 97 76.585 -12.181 10.974 1.00 0.00 H new ATOM 0 HG2 GLN B 97 76.626 -9.721 11.221 1.00 0.00 H new ATOM 0 HG3 GLN B 97 75.061 -9.580 10.445 1.00 0.00 H new ATOM 0 HE21 GLN B 97 73.820 -11.938 11.727 1.00 0.00 H new ATOM 0 HE22 GLN B 97 73.604 -11.522 13.431 1.00 0.00 H new ATOM 3183 N PRO B 98 78.269 -12.975 8.647 1.00 0.00 N ATOM 3184 CA PRO B 98 78.854 -14.251 8.148 1.00 0.00 C ATOM 3185 C PRO B 98 77.942 -15.459 8.421 1.00 0.00 C ATOM 3186 O PRO B 98 76.936 -15.352 9.094 1.00 0.00 O ATOM 3187 CB PRO B 98 80.169 -14.342 8.945 1.00 0.00 C ATOM 3188 CG PRO B 98 80.464 -12.952 9.545 1.00 0.00 C ATOM 3189 CD PRO B 98 79.205 -12.075 9.383 1.00 0.00 C ATOM 0 HA PRO B 98 78.993 -14.264 7.067 1.00 0.00 H new ATOM 0 HB2 PRO B 98 80.084 -15.087 9.736 1.00 0.00 H new ATOM 0 HB3 PRO B 98 80.986 -14.658 8.296 1.00 0.00 H new ATOM 0 HG2 PRO B 98 80.731 -13.042 10.598 1.00 0.00 H new ATOM 0 HG3 PRO B 98 81.314 -12.493 9.039 1.00 0.00 H new ATOM 0 HD2 PRO B 98 78.798 -11.769 10.347 1.00 0.00 H new ATOM 0 HD3 PRO B 98 79.416 -11.164 8.822 1.00 0.00 H new ATOM 3197 N ARG B 99 78.293 -16.605 7.905 1.00 0.00 N ATOM 3198 CA ARG B 99 77.453 -17.813 8.137 1.00 0.00 C ATOM 3199 C ARG B 99 77.606 -18.252 9.594 1.00 0.00 C ATOM 3200 O ARG B 99 78.700 -18.319 10.119 1.00 0.00 O ATOM 3201 CB ARG B 99 77.919 -18.941 7.212 1.00 0.00 C ATOM 3202 CG ARG B 99 77.015 -20.164 7.391 1.00 0.00 C ATOM 3203 CD ARG B 99 77.487 -21.285 6.465 1.00 0.00 C ATOM 3204 NE ARG B 99 78.845 -21.731 6.885 1.00 0.00 N ATOM 3205 CZ ARG B 99 79.314 -22.875 6.472 1.00 0.00 C ATOM 3206 NH1 ARG B 99 78.585 -23.642 5.707 1.00 0.00 N ATOM 3207 NH2 ARG B 99 80.511 -23.254 6.828 1.00 0.00 N ATOM 0 H ARG B 99 79.124 -16.757 7.334 1.00 0.00 H new ATOM 0 HA ARG B 99 76.408 -17.584 7.929 1.00 0.00 H new ATOM 0 HB2 ARG B 99 77.894 -18.607 6.175 1.00 0.00 H new ATOM 0 HB3 ARG B 99 78.952 -19.205 7.437 1.00 0.00 H new ATOM 0 HG2 ARG B 99 77.040 -20.499 8.428 1.00 0.00 H new ATOM 0 HG3 ARG B 99 75.981 -19.902 7.165 1.00 0.00 H new ATOM 0 HD2 ARG B 99 76.789 -22.121 6.503 1.00 0.00 H new ATOM 0 HD3 ARG B 99 77.510 -20.935 5.433 1.00 0.00 H new ATOM 0 HE ARG B 99 79.409 -21.140 7.497 1.00 0.00 H new ATOM 0 HH11 ARG B 99 77.648 -23.346 5.432 1.00 0.00 H new ATOM 0 HH12 ARG B 99 78.952 -24.537 5.384 1.00 0.00 H new ATOM 0 HH21 ARG B 99 81.078 -22.655 7.429 1.00 0.00 H new ATOM 0 HH22 ARG B 99 80.880 -24.149 6.506 1.00 0.00 H new ATOM 3221 N LYS B 100 76.521 -18.553 10.256 1.00 0.00 N ATOM 3222 CA LYS B 100 76.620 -18.987 11.677 1.00 0.00 C ATOM 3223 C LYS B 100 77.253 -20.374 11.750 1.00 0.00 C ATOM 3224 O LYS B 100 77.038 -21.215 10.899 1.00 0.00 O ATOM 3225 CB LYS B 100 75.226 -19.029 12.307 1.00 0.00 C ATOM 3226 CG LYS B 100 74.625 -17.619 12.296 1.00 0.00 C ATOM 3227 CD LYS B 100 73.226 -17.627 12.933 1.00 0.00 C ATOM 3228 CE LYS B 100 72.180 -18.129 11.929 1.00 0.00 C ATOM 3229 NZ LYS B 100 72.252 -17.320 10.677 1.00 0.00 N ATOM 0 H LYS B 100 75.575 -18.517 9.875 1.00 0.00 H new ATOM 0 HA LYS B 100 77.240 -18.276 12.223 1.00 0.00 H new ATOM 0 HB2 LYS B 100 74.584 -19.715 11.754 1.00 0.00 H new ATOM 0 HB3 LYS B 100 75.287 -19.403 13.329 1.00 0.00 H new ATOM 0 HG2 LYS B 100 75.276 -16.935 12.841 1.00 0.00 H new ATOM 0 HG3 LYS B 100 74.563 -17.251 11.272 1.00 0.00 H new ATOM 0 HD2 LYS B 100 73.226 -18.265 13.816 1.00 0.00 H new ATOM 0 HD3 LYS B 100 72.966 -16.622 13.266 1.00 0.00 H new ATOM 0 HE2 LYS B 100 72.354 -19.181 11.704 1.00 0.00 H new ATOM 0 HE3 LYS B 100 71.183 -18.057 12.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 100 71.319 -17.306 10.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 100 72.538 -16.347 10.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 100 72.949 -17.742 10.031 1.00 0.00 H new ATOM 3243 N LYS B 101 78.034 -20.620 12.766 1.00 0.00 N ATOM 3244 CA LYS B 101 78.690 -21.951 12.906 1.00 0.00 C ATOM 3245 C LYS B 101 77.762 -22.894 13.675 1.00 0.00 C ATOM 3246 O LYS B 101 77.174 -23.758 13.046 1.00 0.00 O ATOM 3247 CB LYS B 101 79.999 -21.784 13.679 1.00 0.00 C ATOM 3248 CG LYS B 101 81.007 -21.023 12.814 1.00 0.00 C ATOM 3249 CD LYS B 101 82.225 -20.638 13.662 1.00 0.00 C ATOM 3250 CE LYS B 101 82.963 -21.900 14.117 1.00 0.00 C ATOM 3251 NZ LYS B 101 84.356 -21.544 14.509 1.00 0.00 N ATOM 3252 OXT LYS B 101 77.656 -22.736 14.879 1.00 0.00 O ATOM 0 H LYS B 101 78.247 -19.954 13.508 1.00 0.00 H new ATOM 0 HA LYS B 101 78.896 -22.367 11.920 1.00 0.00 H new ATOM 0 HB2 LYS B 101 79.819 -21.243 14.608 1.00 0.00 H new ATOM 0 HB3 LYS B 101 80.401 -22.760 13.951 1.00 0.00 H new ATOM 0 HG2 LYS B 101 81.318 -21.641 11.972 1.00 0.00 H new ATOM 0 HG3 LYS B 101 80.543 -20.128 12.399 1.00 0.00 H new ATOM 0 HD2 LYS B 101 82.896 -20.003 13.083 1.00 0.00 H new ATOM 0 HD3 LYS B 101 81.907 -20.059 14.529 1.00 0.00 H new ATOM 0 HE2 LYS B 101 82.442 -22.356 14.959 1.00 0.00 H new ATOM 0 HE3 LYS B 101 82.976 -22.636 13.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 101 84.859 -22.400 14.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 101 84.850 -21.127 13.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 101 84.332 -20.856 15.288 1.00 0.00 H new TER 3266 LYS B 101