USER MOD reduce.3.24.130724 H: found=0, std=0, add=1626, rem=0, adj=59 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 80 SER OG : rot 25:sc= 0.0505 USER MOD Set 1.2: B 80 SER OG : rot 20:sc= 0.0155 USER MOD Set 2.1: B 31 LYS NZ :NH3+ -151:sc= 0.65 (180deg=-0.233) USER MOD Set 2.2: B 68 ASN : amide:sc= -0.798! K(o=-0.15!,f=-4.8) USER MOD Set 3.1: A 1 MET N :NH3+ -161:sc= 1.03 (180deg=-0.604) USER MOD Set 3.2: B 19 TYR OH : rot -130:sc= 0.905 USER MOD Set 4.1: B 12 MET CE :methyl -110:sc= -1.12 (180deg=-2.8!) USER MOD Set 4.2: B 75 TYR OH : rot -140:sc= -1.44! USER MOD Set 5.1: A 87 ASN : amide:sc= -6.05! C(o=-8.8!,f=-24!) USER MOD Set 5.2: A 96 LYS NZ :NH3+ 178:sc= -1.01! (180deg=-1.22!) USER MOD Set 5.3: A 97 GLN : amide:sc= -0.674 K(o=-8.8,f=-9.4!) USER MOD Set 5.4: A 101 LYS NZ :NH3+ -125:sc= 0.445 (180deg=-0.0708) USER MOD Set 5.5: B 73 GLN : amide:sc= -1.51! C(o=-8.8!,f=-13!) USER MOD Set 6.1: A 73 GLN : amide:sc= -1.41! C(o=-9.6!,f=-14!) USER MOD Set 6.2: B 87 ASN : amide:sc= -6.3! C(o=-9.6!,f=-25!) USER MOD Set 6.3: B 96 LYS NZ :NH3+ 180:sc= -1.19! (180deg=-1.26!) USER MOD Set 6.4: B 97 GLN : amide:sc= -1.06 X(o=-9.6,f=-9.9!) USER MOD Set 6.5: B 101 LYS NZ :NH3+ -124:sc= 0.379 (180deg=-0.0755) USER MOD Set 7.1: A 31 LYS NZ :NH3+ -154:sc= 0.63 (180deg=-0.221) USER MOD Set 7.2: A 68 ASN : amide:sc= -0.999! K(o=-0.37!,f=-4.6) USER MOD Set 8.1: A 19 TYR OH : rot -52:sc= 0.944 USER MOD Set 8.2: B 1 MET N :NH3+ -168:sc= 1.06 (180deg=-0.439!) USER MOD Set 9.1: A 12 MET CE :methyl -109:sc= -1.14 (180deg=-2.77!) USER MOD Set 9.2: A 75 TYR OH : rot -142:sc= -1.45! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.188 USER MOD Single : A 7 LYS NZ :NH3+ 141:sc= -1.59! (180deg=-2.57!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 63:sc= 0.0331 USER MOD Single : A 17 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-3.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -155:sc= 1.81 USER MOD Single : A 22 LYS NZ :NH3+ -136:sc= 0.563 (180deg=-0.337!) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.0489 (180deg=-0.388) USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 1.27 (180deg=0.932) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.6 F(o=-4.4!,f=-1.6) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= 1.01 (180deg=-1.03!) USER MOD Single : A 39 THR OG1 : rot -69:sc= 0.411 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 50:sc= 0.0333 USER MOD Single : A 56 GLN : amide:sc= -0.416 K(o=-0.42,f=-2.4!) USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= -0.0674 (180deg=-0.453) USER MOD Single : A 59 MET CE :methyl -142:sc= -1.69 (180deg=-5.63!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.092 USER MOD Single : A 61 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -5.13! C(o=-5.1!,f=-6.6!) USER MOD Single : A 76 SER OG : rot 67:sc= 1.2 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -119:sc= -1.58 (180deg=-2.19) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 100 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 3 SER OG : rot 180:sc= 0.179 USER MOD Single : B 7 LYS NZ :NH3+ 146:sc= -1.56! (180deg=-2.68!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 61:sc= 0.0789 USER MOD Single : B 17 HIS : no HD1:sc= -3.65! C(o=-3.6!,f=-3.7!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 SER OG : rot -155:sc= 1.81 USER MOD Single : B 22 LYS NZ :NH3+ -127:sc= 0.537 (180deg=-0.313) USER MOD Single : B 26 LYS NZ :NH3+ -160:sc= -0.0815 (180deg=-0.47) USER MOD Single : B 28 LYS NZ :NH3+ 168:sc= 1.24 (180deg=0.939) USER MOD Single : B 30 ASN :FLIP amide:sc= -1.55 F(o=-4.6!,f=-1.6) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -146:sc= 1.05 (180deg=-0.997) USER MOD Single : B 39 THR OG1 : rot -69:sc= 0.448 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 51:sc= 0.0457 USER MOD Single : B 56 GLN : amide:sc= -0.484 K(o=-0.48,f=-2.5!) USER MOD Single : B 57 LYS NZ :NH3+ 158:sc= -0.0493 (180deg=-0.447) USER MOD Single : B 59 MET CE :methyl -142:sc= -1.71 (180deg=-5.67!) USER MOD Single : B 60 SER OG : rot 180:sc= -0.0919 USER MOD Single : B 61 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.2) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= -5.49! C(o=-5.5!,f=-6.9!) USER MOD Single : B 76 SER OG : rot 68:sc= 1.2 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 84 MET CE :methyl -109:sc= -1.63 (180deg=-2.25) USER MOD Single : B 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.892 0.458 12.354 1.00 3.80 N ATOM 2 CA MET A 1 -12.191 1.672 12.803 1.00 3.21 C ATOM 3 C MET A 1 -10.685 1.442 12.833 1.00 2.41 C ATOM 4 O MET A 1 -10.119 0.997 13.835 1.00 2.60 O ATOM 5 CB MET A 1 -12.698 2.129 14.182 1.00 3.84 C ATOM 6 CG MET A 1 -12.573 1.083 15.282 1.00 4.40 C ATOM 7 SD MET A 1 -13.025 1.719 16.909 1.00 5.09 S ATOM 8 CE MET A 1 -12.667 0.292 17.930 1.00 5.69 C ATOM 0 H1 MET A 1 -13.849 0.708 12.032 1.00 3.80 H new ATOM 0 H2 MET A 1 -12.366 0.023 11.569 1.00 3.80 H new ATOM 0 H3 MET A 1 -12.957 -0.217 13.143 1.00 3.80 H new ATOM 0 HA MET A 1 -12.405 2.466 12.088 1.00 3.21 H new ATOM 0 HB2 MET A 1 -12.145 3.019 14.481 1.00 3.84 H new ATOM 0 HB3 MET A 1 -13.745 2.419 14.092 1.00 3.84 H new ATOM 0 HG2 MET A 1 -13.209 0.231 15.041 1.00 4.40 H new ATOM 0 HG3 MET A 1 -11.547 0.716 15.313 1.00 4.40 H new ATOM 0 HE1 MET A 1 -12.894 0.523 18.971 1.00 5.69 H new ATOM 0 HE2 MET A 1 -13.276 -0.551 17.604 1.00 5.69 H new ATOM 0 HE3 MET A 1 -11.612 0.034 17.838 1.00 5.69 H new ATOM 20 N ALA A 2 -10.030 1.700 11.713 1.00 1.66 N ATOM 21 CA ALA A 2 -8.591 1.728 11.694 1.00 0.97 C ATOM 22 C ALA A 2 -8.138 3.053 12.267 1.00 0.80 C ATOM 23 O ALA A 2 -7.920 4.021 11.549 1.00 0.90 O ATOM 24 CB ALA A 2 -8.008 1.507 10.315 1.00 0.82 C ATOM 0 H ALA A 2 -10.475 1.891 10.815 1.00 1.66 H new ATOM 0 HA ALA A 2 -8.224 0.900 12.300 1.00 0.97 H new ATOM 0 HB1 ALA A 2 -6.920 1.540 10.370 1.00 0.82 H new ATOM 0 HB2 ALA A 2 -8.323 0.534 9.939 1.00 0.82 H new ATOM 0 HB3 ALA A 2 -8.361 2.288 9.641 1.00 0.82 H new ATOM 30 N SER A 3 -8.185 3.094 13.578 1.00 0.79 N ATOM 31 CA SER A 3 -7.526 4.080 14.433 1.00 0.78 C ATOM 32 C SER A 3 -6.093 4.421 13.919 1.00 0.65 C ATOM 33 O SER A 3 -5.815 4.261 12.738 1.00 0.83 O ATOM 34 CB SER A 3 -7.522 3.476 15.840 1.00 0.97 C ATOM 35 OG SER A 3 -8.678 2.679 16.045 1.00 1.18 O ATOM 0 H SER A 3 -8.711 2.406 14.116 1.00 0.79 H new ATOM 0 HA SER A 3 -8.054 5.034 14.428 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.627 2.870 15.979 1.00 0.97 H new ATOM 0 HB3 SER A 3 -7.486 4.272 16.583 1.00 0.97 H new ATOM 0 HG SER A 3 -8.658 2.300 16.948 1.00 1.18 H new ATOM 41 N PRO A 4 -5.185 5.013 14.733 1.00 0.67 N ATOM 42 CA PRO A 4 -3.775 5.221 14.352 1.00 0.62 C ATOM 43 C PRO A 4 -3.139 4.171 13.405 1.00 0.46 C ATOM 44 O PRO A 4 -2.074 4.434 12.874 1.00 0.50 O ATOM 45 CB PRO A 4 -3.084 5.206 15.703 1.00 0.79 C ATOM 46 CG PRO A 4 -4.039 5.930 16.582 1.00 0.96 C ATOM 47 CD PRO A 4 -5.422 5.579 16.084 1.00 0.87 C ATOM 0 HA PRO A 4 -3.676 6.131 13.761 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -2.906 4.189 16.053 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -2.115 5.704 15.665 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -3.913 5.631 17.623 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -3.871 7.006 16.536 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -5.911 4.857 16.739 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -6.066 6.458 16.041 1.00 0.87 H new ATOM 55 N LEU A 5 -3.765 3.000 13.199 1.00 0.36 N ATOM 56 CA LEU A 5 -3.196 1.956 12.340 1.00 0.32 C ATOM 57 C LEU A 5 -3.057 2.417 10.901 1.00 0.30 C ATOM 58 O LEU A 5 -1.986 2.311 10.319 1.00 0.32 O ATOM 59 CB LEU A 5 -4.051 0.692 12.366 1.00 0.31 C ATOM 60 CG LEU A 5 -3.702 -0.349 11.297 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.456 -1.698 11.945 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.809 -0.469 10.259 1.00 0.27 C ATOM 0 H LEU A 5 -4.663 2.756 13.616 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.205 1.739 12.740 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.957 0.228 13.348 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -5.097 0.976 12.247 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.795 -0.018 10.790 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -3.209 -2.431 11.177 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.628 -1.618 12.650 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.354 -2.016 12.475 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.531 -1.215 9.515 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.735 -0.772 10.748 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.955 0.494 9.770 1.00 0.27 H new ATOM 74 N GLU A 6 -4.142 2.908 10.320 1.00 0.34 N ATOM 75 CA GLU A 6 -4.105 3.364 8.941 1.00 0.42 C ATOM 76 C GLU A 6 -3.101 4.505 8.798 1.00 0.33 C ATOM 77 O GLU A 6 -2.264 4.547 7.886 1.00 0.31 O ATOM 78 CB GLU A 6 -5.481 3.816 8.497 1.00 0.62 C ATOM 79 CG GLU A 6 -6.227 2.783 7.666 1.00 1.80 C ATOM 80 CD GLU A 6 -5.706 2.686 6.246 1.00 2.84 C ATOM 81 OE1 GLU A 6 -4.705 3.364 5.932 1.00 3.32 O ATOM 82 OE2 GLU A 6 -6.305 1.943 5.442 1.00 3.61 O ATOM 0 H GLU A 6 -5.049 3.000 10.777 1.00 0.34 H new ATOM 0 HA GLU A 6 -3.793 2.536 8.305 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -6.076 4.058 9.378 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.382 4.733 7.917 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -6.144 1.808 8.146 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -7.287 3.038 7.643 1.00 1.80 H new ATOM 89 N LYS A 7 -3.165 5.414 9.748 1.00 0.35 N ATOM 90 CA LYS A 7 -2.229 6.515 9.814 1.00 0.36 C ATOM 91 C LYS A 7 -0.822 5.983 10.111 1.00 0.32 C ATOM 92 O LYS A 7 0.173 6.658 9.874 1.00 0.35 O ATOM 93 CB LYS A 7 -2.690 7.543 10.855 1.00 0.44 C ATOM 94 CG LYS A 7 -4.145 8.010 10.676 1.00 0.63 C ATOM 95 CD LYS A 7 -4.360 8.952 9.478 1.00 0.79 C ATOM 96 CE LYS A 7 -4.138 8.269 8.132 1.00 1.78 C ATOM 97 NZ LYS A 7 -2.855 8.682 7.501 1.00 2.82 N ATOM 0 H LYS A 7 -3.863 5.411 10.492 1.00 0.35 H new ATOM 0 HA LYS A 7 -2.194 7.025 8.851 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -2.578 7.112 11.850 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -2.033 8.411 10.808 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.784 7.135 10.556 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -4.467 8.517 11.586 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -5.374 9.350 9.514 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -3.681 9.801 9.564 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -4.143 7.188 8.269 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -4.965 8.509 7.463 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -2.413 7.860 7.043 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -3.039 9.417 6.789 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -2.215 9.058 8.229 1.00 2.82 H new ATOM 111 N ALA A 8 -0.759 4.762 10.636 1.00 0.29 N ATOM 112 CA ALA A 8 0.510 4.097 10.912 1.00 0.29 C ATOM 113 C ALA A 8 1.111 3.495 9.652 1.00 0.27 C ATOM 114 O ALA A 8 2.323 3.323 9.575 1.00 0.28 O ATOM 115 CB ALA A 8 0.364 3.023 11.974 1.00 0.32 C ATOM 0 H ALA A 8 -1.581 4.209 10.880 1.00 0.29 H new ATOM 0 HA ALA A 8 1.186 4.865 11.289 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.331 2.552 12.150 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.005 3.473 12.900 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.349 2.271 11.636 1.00 0.32 H new ATOM 121 N LEU A 9 0.285 3.146 8.665 1.00 0.26 N ATOM 122 CA LEU A 9 0.848 2.788 7.358 1.00 0.26 C ATOM 123 C LEU A 9 1.548 4.019 6.812 1.00 0.26 C ATOM 124 O LEU A 9 2.582 3.940 6.148 1.00 0.26 O ATOM 125 CB LEU A 9 -0.190 2.317 6.329 1.00 0.26 C ATOM 126 CG LEU A 9 -1.527 1.819 6.864 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.417 1.399 5.710 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.363 0.668 7.841 1.00 0.27 C ATOM 0 H LEU A 9 -0.732 3.103 8.735 1.00 0.26 H new ATOM 0 HA LEU A 9 1.522 1.946 7.515 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.387 3.143 5.646 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.258 1.516 5.741 1.00 0.26 H new ATOM 0 HG LEU A 9 -1.990 2.642 7.409 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.372 1.044 6.098 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.587 2.252 5.053 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -1.933 0.599 5.149 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.343 0.348 8.194 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -0.868 -0.165 7.342 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.760 0.993 8.689 1.00 0.27 H new ATOM 140 N ASP A 10 0.965 5.169 7.116 1.00 0.27 N ATOM 141 CA ASP A 10 1.600 6.451 6.802 1.00 0.29 C ATOM 142 C ASP A 10 2.873 6.618 7.639 1.00 0.27 C ATOM 143 O ASP A 10 3.868 7.194 7.193 1.00 0.28 O ATOM 144 CB ASP A 10 0.638 7.611 7.061 1.00 0.33 C ATOM 145 CG ASP A 10 1.197 8.950 6.614 1.00 0.38 C ATOM 146 OD1 ASP A 10 1.984 9.555 7.372 1.00 1.18 O ATOM 147 OD2 ASP A 10 0.831 9.412 5.512 1.00 1.16 O ATOM 0 H ASP A 10 0.058 5.247 7.577 1.00 0.27 H new ATOM 0 HA ASP A 10 1.864 6.460 5.744 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.300 7.422 6.540 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.408 7.656 8.126 1.00 0.33 H new ATOM 152 N VAL A 11 2.846 6.088 8.856 1.00 0.27 N ATOM 153 CA VAL A 11 4.032 6.055 9.693 1.00 0.27 C ATOM 154 C VAL A 11 5.086 5.138 9.070 1.00 0.27 C ATOM 155 O VAL A 11 6.281 5.315 9.289 1.00 0.29 O ATOM 156 CB VAL A 11 3.697 5.594 11.130 1.00 0.28 C ATOM 157 CG1 VAL A 11 4.957 5.391 11.953 1.00 0.31 C ATOM 158 CG2 VAL A 11 2.787 6.602 11.811 1.00 0.31 C ATOM 0 H VAL A 11 2.016 5.677 9.282 1.00 0.27 H new ATOM 0 HA VAL A 11 4.431 7.068 9.756 1.00 0.27 H new ATOM 0 HB VAL A 11 3.180 4.637 11.060 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.687 5.067 12.958 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.581 4.631 11.482 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.509 6.329 12.010 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.560 6.263 12.822 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.286 7.570 11.856 1.00 0.31 H new ATOM 0 HG23 VAL A 11 1.861 6.697 11.244 1.00 0.31 H new ATOM 168 N MET A 12 4.644 4.169 8.273 1.00 0.26 N ATOM 169 CA MET A 12 5.573 3.320 7.538 1.00 0.29 C ATOM 170 C MET A 12 6.282 4.140 6.467 1.00 0.29 C ATOM 171 O MET A 12 7.444 3.895 6.153 1.00 0.34 O ATOM 172 CB MET A 12 4.878 2.116 6.900 1.00 0.32 C ATOM 173 CG MET A 12 5.871 1.152 6.278 1.00 0.98 C ATOM 174 SD MET A 12 7.159 0.685 7.445 1.00 2.23 S ATOM 175 CE MET A 12 8.454 0.140 6.340 1.00 2.75 C ATOM 0 H MET A 12 3.658 3.954 8.121 1.00 0.26 H new ATOM 0 HA MET A 12 6.300 2.933 8.252 1.00 0.29 H new ATOM 0 HB2 MET A 12 4.290 1.594 7.655 1.00 0.32 H new ATOM 0 HB3 MET A 12 4.181 2.462 6.137 1.00 0.32 H new ATOM 0 HG2 MET A 12 5.347 0.259 5.936 1.00 0.98 H new ATOM 0 HG3 MET A 12 6.324 1.612 5.400 1.00 0.98 H new ATOM 0 HE1 MET A 12 8.558 -0.943 6.408 1.00 2.75 H new ATOM 0 HE2 MET A 12 8.200 0.417 5.317 1.00 2.75 H new ATOM 0 HE3 MET A 12 9.395 0.613 6.621 1.00 2.75 H new ATOM 185 N VAL A 13 5.574 5.117 5.911 1.00 0.29 N ATOM 186 CA VAL A 13 6.193 6.102 5.029 1.00 0.31 C ATOM 187 C VAL A 13 7.390 6.742 5.745 1.00 0.27 C ATOM 188 O VAL A 13 8.491 6.858 5.193 1.00 0.27 O ATOM 189 CB VAL A 13 5.169 7.192 4.610 1.00 0.37 C ATOM 190 CG1 VAL A 13 5.826 8.306 3.810 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.030 6.577 3.807 1.00 0.42 C ATOM 0 H VAL A 13 4.573 5.249 6.054 1.00 0.29 H new ATOM 0 HA VAL A 13 6.536 5.600 4.124 1.00 0.31 H new ATOM 0 HB VAL A 13 4.768 7.628 5.525 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.076 9.048 3.536 1.00 0.41 H new ATOM 0 HG12 VAL A 13 6.601 8.779 4.413 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.272 7.891 2.906 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.323 7.356 3.523 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.431 6.106 2.910 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.520 5.828 4.413 1.00 0.42 H new ATOM 201 N SER A 14 7.183 7.113 7.000 1.00 0.26 N ATOM 202 CA SER A 14 8.260 7.668 7.810 1.00 0.26 C ATOM 203 C SER A 14 9.319 6.613 8.125 1.00 0.25 C ATOM 204 O SER A 14 10.520 6.896 8.088 1.00 0.26 O ATOM 205 CB SER A 14 7.694 8.270 9.095 1.00 0.31 C ATOM 206 OG SER A 14 6.660 9.198 8.808 1.00 1.18 O ATOM 0 H SER A 14 6.285 7.041 7.478 1.00 0.26 H new ATOM 0 HA SER A 14 8.745 8.458 7.237 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.308 7.476 9.734 1.00 0.31 H new ATOM 0 HB3 SER A 14 8.490 8.767 9.650 1.00 0.31 H new ATOM 0 HG SER A 14 6.312 9.569 9.646 1.00 1.18 H new ATOM 212 N THR A 15 8.864 5.401 8.419 1.00 0.28 N ATOM 213 CA THR A 15 9.749 4.264 8.630 1.00 0.32 C ATOM 214 C THR A 15 10.715 4.118 7.442 1.00 0.28 C ATOM 215 O THR A 15 11.914 3.843 7.606 1.00 0.29 O ATOM 216 CB THR A 15 8.932 2.980 8.804 1.00 0.45 C ATOM 217 OG1 THR A 15 7.958 3.169 9.845 1.00 0.59 O ATOM 218 CG2 THR A 15 9.836 1.825 9.168 1.00 0.93 C ATOM 0 H THR A 15 7.873 5.180 8.518 1.00 0.28 H new ATOM 0 HA THR A 15 10.328 4.436 9.537 1.00 0.32 H new ATOM 0 HB THR A 15 8.430 2.753 7.863 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.335 3.879 9.585 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.240 0.920 9.288 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.570 1.674 8.376 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.351 2.047 10.103 1.00 0.93 H new ATOM 226 N PHE A 16 10.178 4.360 6.247 1.00 0.27 N ATOM 227 CA PHE A 16 10.949 4.281 5.020 1.00 0.27 C ATOM 228 C PHE A 16 12.111 5.258 5.023 1.00 0.29 C ATOM 229 O PHE A 16 13.262 4.838 4.951 1.00 0.37 O ATOM 230 CB PHE A 16 10.056 4.518 3.799 1.00 0.34 C ATOM 231 CG PHE A 16 10.799 4.504 2.491 1.00 0.83 C ATOM 232 CD1 PHE A 16 10.991 3.323 1.802 1.00 1.65 C ATOM 233 CD2 PHE A 16 11.302 5.673 1.950 1.00 1.73 C ATOM 234 CE1 PHE A 16 11.669 3.309 0.599 1.00 2.27 C ATOM 235 CE2 PHE A 16 11.981 5.665 0.750 1.00 2.34 C ATOM 236 CZ PHE A 16 12.164 4.480 0.073 1.00 2.36 C ATOM 0 H PHE A 16 9.200 4.615 6.109 1.00 0.27 H new ATOM 0 HA PHE A 16 11.361 3.274 4.961 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.280 3.752 3.774 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.552 5.478 3.910 1.00 0.34 H new ATOM 0 HD1 PHE A 16 10.606 2.399 2.209 1.00 1.65 H new ATOM 0 HD2 PHE A 16 11.161 6.606 2.475 1.00 1.73 H new ATOM 0 HE1 PHE A 16 11.811 2.378 0.071 1.00 2.27 H new ATOM 0 HE2 PHE A 16 12.369 6.587 0.342 1.00 2.34 H new ATOM 0 HZ PHE A 16 12.694 4.470 -0.868 1.00 2.36 H new ATOM 246 N HIS A 17 11.827 6.555 5.132 1.00 0.30 N ATOM 247 CA HIS A 17 12.898 7.554 5.040 1.00 0.40 C ATOM 248 C HIS A 17 13.898 7.407 6.182 1.00 0.36 C ATOM 249 O HIS A 17 14.992 7.966 6.135 1.00 0.42 O ATOM 250 CB HIS A 17 12.355 8.988 4.968 1.00 0.59 C ATOM 251 CG HIS A 17 11.678 9.501 6.208 1.00 0.81 C ATOM 252 ND1 HIS A 17 12.348 9.807 7.374 1.00 1.53 N ATOM 253 CD2 HIS A 17 10.379 9.798 6.439 1.00 1.78 C ATOM 254 CE1 HIS A 17 11.489 10.265 8.265 1.00 2.03 C ATOM 255 NE2 HIS A 17 10.285 10.272 7.724 1.00 2.20 N ATOM 0 H HIS A 17 10.892 6.935 5.280 1.00 0.30 H new ATOM 0 HA HIS A 17 13.422 7.362 4.104 1.00 0.40 H new ATOM 0 HB2 HIS A 17 13.182 9.656 4.727 1.00 0.59 H new ATOM 0 HB3 HIS A 17 11.647 9.046 4.141 1.00 0.59 H new ATOM 0 HD2 HIS A 17 9.564 9.683 5.740 1.00 1.78 H new ATOM 0 HE1 HIS A 17 11.731 10.581 9.269 1.00 2.03 H new ATOM 0 HE2 HIS A 17 9.428 10.578 8.184 1.00 2.20 H new ATOM 264 N LYS A 18 13.518 6.652 7.202 1.00 0.34 N ATOM 265 CA LYS A 18 14.433 6.307 8.274 1.00 0.39 C ATOM 266 C LYS A 18 15.553 5.424 7.742 1.00 0.37 C ATOM 267 O LYS A 18 16.732 5.700 7.962 1.00 0.47 O ATOM 268 CB LYS A 18 13.682 5.595 9.399 1.00 0.43 C ATOM 269 CG LYS A 18 14.584 4.936 10.435 1.00 0.55 C ATOM 270 CD LYS A 18 13.788 4.500 11.658 1.00 0.73 C ATOM 271 CE LYS A 18 12.609 3.616 11.281 1.00 0.80 C ATOM 272 NZ LYS A 18 11.781 3.261 12.463 1.00 1.28 N ATOM 0 H LYS A 18 12.579 6.267 7.308 1.00 0.34 H new ATOM 0 HA LYS A 18 14.870 7.222 8.673 1.00 0.39 H new ATOM 0 HB2 LYS A 18 13.036 6.315 9.902 1.00 0.43 H new ATOM 0 HB3 LYS A 18 13.033 4.835 8.963 1.00 0.43 H new ATOM 0 HG2 LYS A 18 15.080 4.072 9.993 1.00 0.55 H new ATOM 0 HG3 LYS A 18 15.366 5.633 10.736 1.00 0.55 H new ATOM 0 HD2 LYS A 18 14.442 3.961 12.343 1.00 0.73 H new ATOM 0 HD3 LYS A 18 13.426 5.381 12.189 1.00 0.73 H new ATOM 0 HE2 LYS A 18 11.990 4.131 10.546 1.00 0.80 H new ATOM 0 HE3 LYS A 18 12.975 2.705 10.808 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 10.988 2.658 12.163 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 12.364 2.747 13.154 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 11.410 4.129 12.900 1.00 1.28 H new ATOM 286 N TYR A 19 15.180 4.372 7.023 1.00 0.29 N ATOM 287 CA TYR A 19 16.162 3.438 6.485 1.00 0.29 C ATOM 288 C TYR A 19 16.712 3.880 5.137 1.00 0.33 C ATOM 289 O TYR A 19 17.783 3.439 4.750 1.00 0.44 O ATOM 290 CB TYR A 19 15.581 2.031 6.402 1.00 0.31 C ATOM 291 CG TYR A 19 15.660 1.290 7.716 1.00 0.36 C ATOM 292 CD1 TYR A 19 14.810 1.606 8.765 1.00 1.23 C ATOM 293 CD2 TYR A 19 16.601 0.288 7.913 1.00 1.28 C ATOM 294 CE1 TYR A 19 14.895 0.946 9.974 1.00 1.26 C ATOM 295 CE2 TYR A 19 16.688 -0.381 9.118 1.00 1.35 C ATOM 296 CZ TYR A 19 15.833 -0.047 10.146 1.00 0.62 C ATOM 297 OH TYR A 19 15.921 -0.701 11.356 1.00 0.79 O ATOM 0 H TYR A 19 14.211 4.145 6.800 1.00 0.29 H new ATOM 0 HA TYR A 19 17.003 3.428 7.178 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.540 2.090 6.085 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.115 1.466 5.638 1.00 0.31 H new ATOM 0 HD1 TYR A 19 14.069 2.381 8.634 1.00 1.23 H new ATOM 0 HD2 TYR A 19 17.276 0.028 7.111 1.00 1.28 H new ATOM 0 HE1 TYR A 19 14.228 1.207 10.782 1.00 1.26 H new ATOM 0 HE2 TYR A 19 17.422 -1.162 9.254 1.00 1.35 H new ATOM 0 HH TYR A 19 15.998 -0.043 12.078 1.00 0.79 H new ATOM 307 N SER A 20 15.981 4.731 4.429 1.00 0.29 N ATOM 308 CA SER A 20 16.459 5.306 3.177 1.00 0.32 C ATOM 309 C SER A 20 17.414 6.461 3.428 1.00 0.40 C ATOM 310 O SER A 20 18.180 6.854 2.552 1.00 0.60 O ATOM 311 CB SER A 20 15.276 5.812 2.365 1.00 0.35 C ATOM 312 OG SER A 20 14.317 4.792 2.210 1.00 0.86 O ATOM 0 H SER A 20 15.048 5.040 4.702 1.00 0.29 H new ATOM 0 HA SER A 20 16.991 4.527 2.630 1.00 0.32 H new ATOM 0 HB2 SER A 20 14.826 6.671 2.862 1.00 0.35 H new ATOM 0 HB3 SER A 20 15.616 6.152 1.387 1.00 0.35 H new ATOM 0 HG SER A 20 13.786 4.962 1.404 1.00 0.86 H new ATOM 318 N GLY A 21 17.348 7.022 4.622 1.00 0.37 N ATOM 319 CA GLY A 21 18.168 8.163 4.943 1.00 0.43 C ATOM 320 C GLY A 21 19.418 7.786 5.692 1.00 0.41 C ATOM 321 O GLY A 21 19.900 8.548 6.533 1.00 0.46 O ATOM 0 H GLY A 21 16.739 6.705 5.376 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.442 8.679 4.023 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.588 8.865 5.542 1.00 0.43 H new ATOM 325 N LYS A 22 19.943 6.612 5.405 1.00 0.40 N ATOM 326 CA LYS A 22 21.134 6.142 6.079 1.00 0.46 C ATOM 327 C LYS A 22 22.352 6.256 5.173 1.00 0.52 C ATOM 328 O LYS A 22 23.412 6.729 5.587 1.00 0.65 O ATOM 329 CB LYS A 22 20.948 4.696 6.509 1.00 0.47 C ATOM 330 CG LYS A 22 19.669 4.448 7.282 1.00 0.60 C ATOM 331 CD LYS A 22 19.680 3.074 7.919 1.00 0.56 C ATOM 332 CE LYS A 22 19.929 1.981 6.895 1.00 0.49 C ATOM 333 NZ LYS A 22 20.270 0.704 7.556 1.00 1.08 N ATOM 0 H LYS A 22 19.564 5.968 4.711 1.00 0.40 H new ATOM 0 HA LYS A 22 21.298 6.765 6.958 1.00 0.46 H new ATOM 0 HB2 LYS A 22 20.956 4.060 5.624 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.797 4.397 7.124 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.552 5.210 8.053 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.812 4.537 6.614 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.452 3.035 8.687 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.727 2.896 8.416 1.00 0.56 H new ATOM 0 HE2 LYS A 22 19.042 1.849 6.276 1.00 0.49 H new ATOM 0 HE3 LYS A 22 20.740 2.278 6.230 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.072 0.261 7.063 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 20.530 0.884 8.547 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 19.449 0.066 7.524 1.00 1.08 H new ATOM 347 N GLU A 23 22.189 5.821 3.936 1.00 0.47 N ATOM 348 CA GLU A 23 23.273 5.807 2.970 1.00 0.55 C ATOM 349 C GLU A 23 22.810 6.446 1.662 1.00 0.58 C ATOM 350 O GLU A 23 21.780 6.062 1.110 1.00 0.64 O ATOM 351 CB GLU A 23 23.695 4.350 2.727 1.00 0.67 C ATOM 352 CG GLU A 23 25.170 4.148 2.415 1.00 1.15 C ATOM 353 CD GLU A 23 25.621 4.855 1.155 1.00 1.59 C ATOM 354 OE1 GLU A 23 25.445 4.289 0.055 1.00 1.96 O ATOM 355 OE2 GLU A 23 26.159 5.976 1.257 1.00 2.38 O ATOM 0 H GLU A 23 21.303 5.468 3.573 1.00 0.47 H new ATOM 0 HA GLU A 23 24.121 6.376 3.352 1.00 0.55 H new ATOM 0 HB2 GLU A 23 23.443 3.763 3.610 1.00 0.67 H new ATOM 0 HB3 GLU A 23 23.107 3.951 1.901 1.00 0.67 H new ATOM 0 HG2 GLU A 23 25.764 4.506 3.256 1.00 1.15 H new ATOM 0 HG3 GLU A 23 25.370 3.081 2.315 1.00 1.15 H new ATOM 362 N GLY A 24 23.568 7.418 1.176 1.00 0.72 N ATOM 363 CA GLY A 24 23.279 8.021 -0.111 1.00 0.85 C ATOM 364 C GLY A 24 22.119 9.005 -0.086 1.00 0.79 C ATOM 365 O GLY A 24 22.300 10.188 0.220 1.00 0.92 O ATOM 0 H GLY A 24 24.384 7.803 1.653 1.00 0.72 H new ATOM 0 HA2 GLY A 24 24.171 8.536 -0.468 1.00 0.85 H new ATOM 0 HA3 GLY A 24 23.057 7.232 -0.829 1.00 0.85 H new ATOM 369 N ASP A 25 20.930 8.506 -0.394 1.00 0.71 N ATOM 370 CA ASP A 25 19.750 9.347 -0.589 1.00 0.70 C ATOM 371 C ASP A 25 18.952 9.452 0.716 1.00 0.73 C ATOM 372 O ASP A 25 19.483 9.223 1.800 1.00 1.34 O ATOM 373 CB ASP A 25 18.877 8.738 -1.704 1.00 0.73 C ATOM 374 CG ASP A 25 18.025 9.759 -2.445 1.00 1.04 C ATOM 375 OD1 ASP A 25 17.039 10.261 -1.866 1.00 1.75 O ATOM 376 OD2 ASP A 25 18.335 10.062 -3.617 1.00 1.65 O ATOM 0 H ASP A 25 20.753 7.509 -0.516 1.00 0.71 H new ATOM 0 HA ASP A 25 20.061 10.350 -0.880 1.00 0.70 H new ATOM 0 HB2 ASP A 25 19.522 8.229 -2.420 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.224 7.981 -1.269 1.00 0.73 H new ATOM 381 N LYS A 26 17.694 9.849 0.602 1.00 0.61 N ATOM 382 CA LYS A 26 16.778 9.913 1.736 1.00 0.56 C ATOM 383 C LYS A 26 15.383 9.481 1.304 1.00 0.49 C ATOM 384 O LYS A 26 14.469 9.379 2.121 1.00 0.55 O ATOM 385 CB LYS A 26 16.714 11.334 2.303 1.00 0.71 C ATOM 386 CG LYS A 26 17.656 11.585 3.466 1.00 1.03 C ATOM 387 CD LYS A 26 17.035 11.126 4.775 1.00 0.70 C ATOM 388 CE LYS A 26 15.905 12.038 5.225 1.00 0.94 C ATOM 389 NZ LYS A 26 16.366 13.433 5.450 1.00 1.56 N ATOM 0 H LYS A 26 17.276 10.138 -0.282 1.00 0.61 H new ATOM 0 HA LYS A 26 17.148 9.240 2.510 1.00 0.56 H new ATOM 0 HB2 LYS A 26 16.943 12.041 1.506 1.00 0.71 H new ATOM 0 HB3 LYS A 26 15.693 11.538 2.627 1.00 0.71 H new ATOM 0 HG2 LYS A 26 18.595 11.057 3.299 1.00 1.03 H new ATOM 0 HG3 LYS A 26 17.894 12.647 3.524 1.00 1.03 H new ATOM 0 HD2 LYS A 26 16.656 10.111 4.659 1.00 0.70 H new ATOM 0 HD3 LYS A 26 17.803 11.093 5.548 1.00 0.70 H new ATOM 0 HE2 LYS A 26 15.116 12.035 4.473 1.00 0.94 H new ATOM 0 HE3 LYS A 26 15.470 11.648 6.145 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 15.669 13.939 6.032 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 17.283 13.421 5.940 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 16.469 13.916 4.535 1.00 1.56 H new ATOM 403 N PHE A 27 15.230 9.235 0.011 1.00 0.45 N ATOM 404 CA PHE A 27 13.940 8.887 -0.562 1.00 0.44 C ATOM 405 C PHE A 27 14.048 7.589 -1.354 1.00 0.40 C ATOM 406 O PHE A 27 13.153 7.240 -2.123 1.00 0.40 O ATOM 407 CB PHE A 27 13.437 10.009 -1.480 1.00 0.50 C ATOM 408 CG PHE A 27 13.167 11.317 -0.783 1.00 0.78 C ATOM 409 CD1 PHE A 27 14.202 12.185 -0.474 1.00 1.28 C ATOM 410 CD2 PHE A 27 11.873 11.680 -0.442 1.00 1.76 C ATOM 411 CE1 PHE A 27 13.953 13.385 0.162 1.00 1.59 C ATOM 412 CE2 PHE A 27 11.619 12.878 0.195 1.00 2.09 C ATOM 413 CZ PHE A 27 12.660 13.732 0.497 1.00 1.65 C ATOM 0 H PHE A 27 15.992 9.271 -0.666 1.00 0.45 H new ATOM 0 HA PHE A 27 13.229 8.753 0.254 1.00 0.44 H new ATOM 0 HB2 PHE A 27 14.175 10.176 -2.265 1.00 0.50 H new ATOM 0 HB3 PHE A 27 12.521 9.677 -1.969 1.00 0.50 H new ATOM 0 HD1 PHE A 27 15.216 11.920 -0.734 1.00 1.28 H new ATOM 0 HD2 PHE A 27 11.054 11.017 -0.678 1.00 1.76 H new ATOM 0 HE1 PHE A 27 14.770 14.052 0.397 1.00 1.59 H new ATOM 0 HE2 PHE A 27 10.606 13.147 0.457 1.00 2.09 H new ATOM 0 HZ PHE A 27 12.463 14.670 0.995 1.00 1.65 H new ATOM 423 N LYS A 28 15.157 6.885 -1.159 1.00 0.39 N ATOM 424 CA LYS A 28 15.416 5.636 -1.858 1.00 0.36 C ATOM 425 C LYS A 28 16.160 4.673 -0.960 1.00 0.34 C ATOM 426 O LYS A 28 16.941 5.084 -0.112 1.00 0.38 O ATOM 427 CB LYS A 28 16.254 5.849 -3.119 1.00 0.40 C ATOM 428 CG LYS A 28 15.529 6.492 -4.291 1.00 0.49 C ATOM 429 CD LYS A 28 16.401 6.439 -5.533 1.00 0.56 C ATOM 430 CE LYS A 28 15.746 7.102 -6.733 1.00 0.86 C ATOM 431 NZ LYS A 28 16.679 7.190 -7.889 1.00 1.70 N ATOM 0 H LYS A 28 15.897 7.164 -0.515 1.00 0.39 H new ATOM 0 HA LYS A 28 14.445 5.229 -2.139 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.113 6.469 -2.862 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.643 4.883 -3.442 1.00 0.40 H new ATOM 0 HG2 LYS A 28 14.588 5.974 -4.475 1.00 0.49 H new ATOM 0 HG3 LYS A 28 15.283 7.527 -4.053 1.00 0.49 H new ATOM 0 HD2 LYS A 28 17.353 6.929 -5.326 1.00 0.56 H new ATOM 0 HD3 LYS A 28 16.623 5.399 -5.773 1.00 0.56 H new ATOM 0 HE2 LYS A 28 14.860 6.537 -7.022 1.00 0.86 H new ATOM 0 HE3 LYS A 28 15.411 8.102 -6.459 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 16.133 7.271 -8.770 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 17.288 8.026 -7.781 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 17.269 6.334 -7.925 1.00 1.70 H new ATOM 445 N LEU A 29 15.905 3.396 -1.158 1.00 0.31 N ATOM 446 CA LEU A 29 16.649 2.354 -0.492 1.00 0.28 C ATOM 447 C LEU A 29 17.556 1.662 -1.483 1.00 0.31 C ATOM 448 O LEU A 29 17.092 0.942 -2.371 1.00 0.33 O ATOM 449 CB LEU A 29 15.719 1.309 0.113 1.00 0.26 C ATOM 450 CG LEU A 29 14.757 1.802 1.170 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.617 0.819 1.302 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.476 1.952 2.497 1.00 0.25 C ATOM 0 H LEU A 29 15.176 3.054 -1.785 1.00 0.31 H new ATOM 0 HA LEU A 29 17.230 2.820 0.304 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.140 0.858 -0.693 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.330 0.518 0.548 1.00 0.26 H new ATOM 0 HG LEU A 29 14.362 2.775 0.878 1.00 0.26 H new ATOM 0 HD11 LEU A 29 12.920 1.170 2.063 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.098 0.733 0.347 1.00 0.28 H new ATOM 0 HD13 LEU A 29 14.009 -0.156 1.591 1.00 0.28 H new ATOM 0 HD21 LEU A 29 14.775 2.308 3.252 1.00 0.25 H new ATOM 0 HD22 LEU A 29 15.880 0.987 2.803 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.290 2.669 2.391 1.00 0.25 H new ATOM 464 N ASN A 30 18.838 1.886 -1.338 1.00 0.32 N ATOM 465 CA ASN A 30 19.825 1.123 -2.071 1.00 0.36 C ATOM 466 C ASN A 30 19.875 -0.260 -1.460 1.00 0.33 C ATOM 467 O ASN A 30 19.278 -0.477 -0.409 1.00 0.30 O ATOM 468 CB ASN A 30 21.181 1.826 -2.014 1.00 0.42 C ATOM 469 CG ASN A 30 21.522 2.279 -0.617 1.00 0.44 C ATOM 470 OD1 ASN A 30 20.957 3.406 -0.219 1.00 0.56 O flip ATOM 471 ND2 ASN A 30 22.239 1.598 0.116 1.00 0.43 N flip ATOM 0 H ASN A 30 19.227 2.594 -0.716 1.00 0.32 H new ATOM 0 HA ASN A 30 19.560 1.042 -3.125 1.00 0.36 H new ATOM 0 HB2 ASN A 30 21.956 1.150 -2.375 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.172 2.687 -2.683 1.00 0.42 H new ATOM 0 HD21 ASN A 30 22.654 0.735 -0.235 1.00 0.43 H new ATOM 0 HD22 ASN A 30 22.418 1.897 1.075 1.00 0.43 H new ATOM 478 N LYS A 31 20.560 -1.193 -2.095 1.00 0.35 N ATOM 479 CA LYS A 31 20.469 -2.592 -1.688 1.00 0.34 C ATOM 480 C LYS A 31 20.811 -2.769 -0.212 1.00 0.31 C ATOM 481 O LYS A 31 20.179 -3.559 0.489 1.00 0.31 O ATOM 482 CB LYS A 31 21.390 -3.476 -2.519 1.00 0.41 C ATOM 483 CG LYS A 31 21.075 -3.499 -4.001 1.00 0.68 C ATOM 484 CD LYS A 31 21.823 -4.622 -4.692 1.00 0.71 C ATOM 485 CE LYS A 31 21.742 -4.494 -6.202 1.00 1.15 C ATOM 486 NZ LYS A 31 22.516 -3.328 -6.704 1.00 1.99 N ATOM 0 H LYS A 31 21.180 -1.016 -2.886 1.00 0.35 H new ATOM 0 HA LYS A 31 19.435 -2.896 -1.854 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.417 -3.136 -2.385 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.339 -4.495 -2.134 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.002 -3.626 -4.148 1.00 0.68 H new ATOM 0 HG3 LYS A 31 21.347 -2.544 -4.450 1.00 0.68 H new ATOM 0 HD2 LYS A 31 22.867 -4.612 -4.380 1.00 0.71 H new ATOM 0 HD3 LYS A 31 21.408 -5.582 -4.384 1.00 0.71 H new ATOM 0 HE2 LYS A 31 22.120 -5.406 -6.664 1.00 1.15 H new ATOM 0 HE3 LYS A 31 20.699 -4.393 -6.502 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 22.112 -3.006 -7.607 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 22.470 -2.556 -6.009 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 23.508 -3.606 -6.848 1.00 1.99 H new ATOM 500 N SER A 32 21.804 -2.017 0.249 1.00 0.34 N ATOM 501 CA SER A 32 22.224 -2.061 1.643 1.00 0.37 C ATOM 502 C SER A 32 21.057 -1.708 2.562 1.00 0.34 C ATOM 503 O SER A 32 20.733 -2.445 3.503 1.00 0.38 O ATOM 504 CB SER A 32 23.385 -1.085 1.855 1.00 0.45 C ATOM 505 OG SER A 32 24.434 -1.341 0.935 1.00 1.33 O ATOM 0 H SER A 32 22.336 -1.365 -0.328 1.00 0.34 H new ATOM 0 HA SER A 32 22.555 -3.071 1.886 1.00 0.37 H new ATOM 0 HB2 SER A 32 23.032 -0.061 1.734 1.00 0.45 H new ATOM 0 HB3 SER A 32 23.760 -1.175 2.875 1.00 0.45 H new ATOM 0 HG SER A 32 25.164 -0.706 1.087 1.00 1.33 H new ATOM 511 N GLU A 33 20.410 -0.594 2.258 1.00 0.32 N ATOM 512 CA GLU A 33 19.290 -0.115 3.042 1.00 0.35 C ATOM 513 C GLU A 33 18.071 -1.006 2.848 1.00 0.30 C ATOM 514 O GLU A 33 17.363 -1.305 3.807 1.00 0.32 O ATOM 515 CB GLU A 33 18.958 1.312 2.641 1.00 0.45 C ATOM 516 CG GLU A 33 20.116 2.272 2.809 1.00 0.59 C ATOM 517 CD GLU A 33 19.692 3.700 2.570 1.00 1.50 C ATOM 518 OE1 GLU A 33 19.027 3.953 1.550 1.00 2.15 O ATOM 519 OE2 GLU A 33 20.025 4.568 3.397 1.00 2.32 O ATOM 0 H GLU A 33 20.648 -0.001 1.463 1.00 0.32 H new ATOM 0 HA GLU A 33 19.568 -0.142 4.096 1.00 0.35 H new ATOM 0 HB2 GLU A 33 18.636 1.323 1.600 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.116 1.662 3.239 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.525 2.177 3.815 1.00 0.59 H new ATOM 0 HG3 GLU A 33 20.913 2.007 2.114 1.00 0.59 H new ATOM 526 N LEU A 34 17.838 -1.424 1.604 1.00 0.30 N ATOM 527 CA LEU A 34 16.724 -2.298 1.277 1.00 0.33 C ATOM 528 C LEU A 34 16.779 -3.565 2.116 1.00 0.29 C ATOM 529 O LEU A 34 15.774 -3.980 2.681 1.00 0.30 O ATOM 530 CB LEU A 34 16.753 -2.674 -0.203 1.00 0.50 C ATOM 531 CG LEU A 34 15.542 -3.470 -0.680 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.336 -2.557 -0.801 1.00 1.01 C ATOM 533 CD2 LEU A 34 15.840 -4.160 -2.000 1.00 0.55 C ATOM 0 H LEU A 34 18.415 -1.166 0.803 1.00 0.30 H new ATOM 0 HA LEU A 34 15.800 -1.761 1.493 1.00 0.33 H new ATOM 0 HB2 LEU A 34 16.828 -1.762 -0.795 1.00 0.50 H new ATOM 0 HB3 LEU A 34 17.654 -3.256 -0.399 1.00 0.50 H new ATOM 0 HG LEU A 34 15.317 -4.243 0.055 1.00 0.51 H new ATOM 0 HD11 LEU A 34 13.476 -3.133 -1.142 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.115 -2.116 0.171 1.00 1.01 H new ATOM 0 HD13 LEU A 34 14.550 -1.765 -1.519 1.00 1.01 H new ATOM 0 HD21 LEU A 34 14.964 -4.722 -2.323 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.089 -3.413 -2.753 1.00 0.55 H new ATOM 0 HD23 LEU A 34 16.681 -4.841 -1.873 1.00 0.55 H new ATOM 545 N LYS A 35 17.961 -4.171 2.186 1.00 0.29 N ATOM 546 CA LYS A 35 18.167 -5.352 3.015 1.00 0.29 C ATOM 547 C LYS A 35 17.720 -5.111 4.446 1.00 0.29 C ATOM 548 O LYS A 35 16.839 -5.802 4.956 1.00 0.31 O ATOM 549 CB LYS A 35 19.636 -5.761 3.027 1.00 0.32 C ATOM 550 CG LYS A 35 20.069 -6.574 1.822 1.00 0.39 C ATOM 551 CD LYS A 35 21.566 -6.816 1.848 1.00 0.52 C ATOM 552 CE LYS A 35 21.954 -8.076 1.095 1.00 0.70 C ATOM 553 NZ LYS A 35 23.406 -8.368 1.247 1.00 1.29 N ATOM 0 H LYS A 35 18.790 -3.863 1.678 1.00 0.29 H new ATOM 0 HA LYS A 35 17.566 -6.151 2.580 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.250 -4.862 3.084 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.832 -6.339 3.930 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.542 -7.528 1.812 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.796 -6.050 0.906 1.00 0.39 H new ATOM 0 HD2 LYS A 35 22.079 -5.960 1.410 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.902 -6.894 2.882 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.370 -8.919 1.465 1.00 0.70 H new ATOM 0 HE3 LYS A 35 21.712 -7.961 0.038 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 23.771 -8.782 0.366 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 23.918 -7.486 1.453 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 23.545 -9.040 2.029 1.00 1.29 H new ATOM 567 N GLU A 36 18.323 -4.122 5.084 1.00 0.29 N ATOM 568 CA GLU A 36 18.075 -3.867 6.494 1.00 0.32 C ATOM 569 C GLU A 36 16.638 -3.478 6.741 1.00 0.31 C ATOM 570 O GLU A 36 16.038 -3.918 7.708 1.00 0.39 O ATOM 571 CB GLU A 36 19.009 -2.789 7.004 1.00 0.36 C ATOM 572 CG GLU A 36 20.445 -3.101 6.674 1.00 0.37 C ATOM 573 CD GLU A 36 21.408 -2.064 7.190 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.810 -2.152 8.368 1.00 1.14 O ATOM 575 OE2 GLU A 36 21.752 -1.141 6.428 1.00 1.31 O ATOM 0 H GLU A 36 18.988 -3.482 4.649 1.00 0.29 H new ATOM 0 HA GLU A 36 18.267 -4.791 7.040 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.734 -1.830 6.565 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.896 -2.689 8.084 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.706 -4.072 7.095 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.554 -3.183 5.593 1.00 0.37 H new ATOM 582 N LEU A 37 16.088 -2.659 5.869 1.00 0.27 N ATOM 583 CA LEU A 37 14.694 -2.301 5.976 1.00 0.26 C ATOM 584 C LEU A 37 13.829 -3.552 5.842 1.00 0.27 C ATOM 585 O LEU A 37 13.088 -3.886 6.743 1.00 0.31 O ATOM 586 CB LEU A 37 14.327 -1.254 4.918 1.00 0.24 C ATOM 587 CG LEU A 37 12.898 -0.718 4.998 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.819 0.714 4.509 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.964 -1.601 4.199 1.00 0.50 C ATOM 0 H LEU A 37 16.582 -2.233 5.085 1.00 0.27 H new ATOM 0 HA LEU A 37 14.510 -1.859 6.955 1.00 0.26 H new ATOM 0 HB2 LEU A 37 15.018 -0.415 5.006 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.479 -1.690 3.931 1.00 0.24 H new ATOM 0 HG LEU A 37 12.590 -0.731 6.044 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.790 1.066 4.579 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.461 1.345 5.125 1.00 0.29 H new ATOM 0 HD13 LEU A 37 13.150 0.763 3.472 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.949 -1.209 4.263 1.00 0.50 H new ATOM 0 HD22 LEU A 37 12.281 -1.617 3.156 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.988 -2.614 4.601 1.00 0.50 H new ATOM 601 N LEU A 38 13.959 -4.268 4.740 1.00 0.27 N ATOM 602 CA LEU A 38 13.134 -5.448 4.504 1.00 0.29 C ATOM 603 C LEU A 38 13.233 -6.451 5.652 1.00 0.31 C ATOM 604 O LEU A 38 12.224 -6.917 6.159 1.00 0.40 O ATOM 605 CB LEU A 38 13.525 -6.117 3.192 1.00 0.32 C ATOM 606 CG LEU A 38 12.589 -5.841 2.014 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.207 -6.401 2.299 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.508 -4.352 1.724 1.00 0.43 C ATOM 0 H LEU A 38 14.623 -4.058 3.995 1.00 0.27 H new ATOM 0 HA LEU A 38 12.099 -5.113 4.443 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.529 -5.790 2.921 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.573 -7.194 3.352 1.00 0.32 H new ATOM 0 HG LEU A 38 12.994 -6.337 1.132 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.551 -6.198 1.453 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.276 -7.478 2.455 1.00 0.31 H new ATOM 0 HD13 LEU A 38 10.801 -5.930 3.194 1.00 0.31 H new ATOM 0 HD21 LEU A 38 11.837 -4.181 0.882 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.129 -3.830 2.603 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.501 -3.975 1.479 1.00 0.43 H new ATOM 620 N THR A 39 14.448 -6.781 6.049 1.00 0.32 N ATOM 621 CA THR A 39 14.673 -7.701 7.162 1.00 0.33 C ATOM 622 C THR A 39 14.079 -7.199 8.487 1.00 0.34 C ATOM 623 O THR A 39 13.566 -7.989 9.284 1.00 0.38 O ATOM 624 CB THR A 39 16.178 -7.949 7.366 1.00 0.33 C ATOM 625 OG1 THR A 39 16.851 -6.713 7.634 1.00 0.32 O ATOM 626 CG2 THR A 39 16.795 -8.587 6.133 1.00 0.35 C ATOM 0 H THR A 39 15.302 -6.427 5.618 1.00 0.32 H new ATOM 0 HA THR A 39 14.164 -8.626 6.890 1.00 0.33 H new ATOM 0 HB THR A 39 16.292 -8.625 8.213 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.846 -6.156 6.828 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.859 -8.752 6.303 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.307 -9.541 5.934 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.662 -7.926 5.276 1.00 0.35 H new ATOM 634 N ARG A 40 14.162 -5.895 8.714 1.00 0.34 N ATOM 635 CA ARG A 40 13.802 -5.292 10.004 1.00 0.37 C ATOM 636 C ARG A 40 12.376 -4.747 10.048 1.00 0.40 C ATOM 637 O ARG A 40 11.748 -4.754 11.108 1.00 0.47 O ATOM 638 CB ARG A 40 14.831 -4.208 10.333 1.00 0.37 C ATOM 639 CG ARG A 40 16.115 -4.771 10.909 1.00 0.63 C ATOM 640 CD ARG A 40 17.230 -3.743 10.898 1.00 0.56 C ATOM 641 NE ARG A 40 18.516 -4.333 11.262 1.00 1.16 N ATOM 642 CZ ARG A 40 19.695 -3.831 10.897 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.756 -2.692 10.220 1.00 1.62 N ATOM 644 NH2 ARG A 40 20.815 -4.460 11.225 1.00 2.31 N ATOM 0 H ARG A 40 14.479 -5.222 8.016 1.00 0.34 H new ATOM 0 HA ARG A 40 13.821 -6.075 10.763 1.00 0.37 H new ATOM 0 HB2 ARG A 40 15.060 -3.645 9.428 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.397 -3.505 11.044 1.00 0.37 H new ATOM 0 HG2 ARG A 40 15.939 -5.107 11.931 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.420 -5.645 10.334 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.303 -3.296 9.906 1.00 0.56 H new ATOM 0 HD3 ARG A 40 16.989 -2.939 11.593 1.00 0.56 H new ATOM 0 HE ARG A 40 18.511 -5.180 11.830 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.898 -2.197 9.977 1.00 1.62 H new ATOM 0 HH12 ARG A 40 20.661 -2.311 9.943 1.00 1.62 H new ATOM 0 HH21 ARG A 40 20.775 -5.329 11.757 1.00 2.31 H new ATOM 0 HH22 ARG A 40 21.717 -4.075 10.945 1.00 2.31 H new ATOM 658 N GLU A 41 11.860 -4.284 8.923 1.00 0.40 N ATOM 659 CA GLU A 41 10.507 -3.771 8.874 1.00 0.46 C ATOM 660 C GLU A 41 9.560 -4.876 8.411 1.00 0.54 C ATOM 661 O GLU A 41 8.421 -4.953 8.847 1.00 0.85 O ATOM 662 CB GLU A 41 10.419 -2.571 7.915 1.00 0.52 C ATOM 663 CG GLU A 41 11.645 -1.650 7.870 1.00 0.53 C ATOM 664 CD GLU A 41 12.219 -1.239 9.213 1.00 0.51 C ATOM 665 OE1 GLU A 41 11.747 -0.257 9.807 1.00 1.02 O ATOM 666 OE2 GLU A 41 13.176 -1.876 9.673 1.00 1.30 O ATOM 0 H GLU A 41 12.359 -4.254 8.034 1.00 0.40 H new ATOM 0 HA GLU A 41 10.220 -3.438 9.871 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.237 -2.949 6.909 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.551 -1.973 8.193 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.429 -2.149 7.300 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.377 -0.748 7.321 1.00 0.53 H new ATOM 673 N LEU A 42 10.050 -5.773 7.573 1.00 0.40 N ATOM 674 CA LEU A 42 9.228 -6.877 7.096 1.00 0.41 C ATOM 675 C LEU A 42 9.882 -8.238 7.340 1.00 0.37 C ATOM 676 O LEU A 42 10.142 -8.987 6.391 1.00 0.36 O ATOM 677 CB LEU A 42 8.921 -6.692 5.612 1.00 0.44 C ATOM 678 CG LEU A 42 7.881 -5.619 5.313 1.00 0.50 C ATOM 679 CD1 LEU A 42 7.887 -5.265 3.839 1.00 0.65 C ATOM 680 CD2 LEU A 42 6.503 -6.099 5.740 1.00 0.74 C ATOM 0 H LEU A 42 11.003 -5.762 7.210 1.00 0.40 H new ATOM 0 HA LEU A 42 8.299 -6.864 7.666 1.00 0.41 H new ATOM 0 HB2 LEU A 42 9.845 -6.440 5.091 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.573 -7.641 5.204 1.00 0.44 H new ATOM 0 HG LEU A 42 8.132 -4.722 5.878 1.00 0.50 H new ATOM 0 HD11 LEU A 42 7.138 -4.497 3.646 1.00 0.65 H new ATOM 0 HD12 LEU A 42 8.871 -4.890 3.559 1.00 0.65 H new ATOM 0 HD13 LEU A 42 7.656 -6.153 3.251 1.00 0.65 H new ATOM 0 HD21 LEU A 42 5.765 -5.327 5.523 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.249 -7.007 5.194 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.506 -6.308 6.810 1.00 0.74 H new ATOM 692 N PRO A 43 10.133 -8.590 8.618 1.00 0.40 N ATOM 693 CA PRO A 43 10.708 -9.887 8.992 1.00 0.44 C ATOM 694 C PRO A 43 9.936 -11.057 8.414 1.00 0.45 C ATOM 695 O PRO A 43 10.502 -12.104 8.127 1.00 0.49 O ATOM 696 CB PRO A 43 10.576 -9.910 10.508 1.00 0.51 C ATOM 697 CG PRO A 43 10.608 -8.483 10.905 1.00 0.48 C ATOM 698 CD PRO A 43 9.907 -7.742 9.804 1.00 0.44 C ATOM 0 HA PRO A 43 11.728 -9.987 8.620 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.647 -10.388 10.818 1.00 0.51 H new ATOM 0 HB3 PRO A 43 11.391 -10.469 10.969 1.00 0.51 H new ATOM 0 HG2 PRO A 43 10.107 -8.331 11.861 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.633 -8.132 11.023 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.844 -7.622 10.015 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.320 -6.743 9.667 1.00 0.44 H new ATOM 706 N SER A 44 8.637 -10.880 8.269 1.00 0.45 N ATOM 707 CA SER A 44 7.786 -11.936 7.769 1.00 0.47 C ATOM 708 C SER A 44 7.939 -12.089 6.258 1.00 0.44 C ATOM 709 O SER A 44 8.144 -13.206 5.754 1.00 0.45 O ATOM 710 CB SER A 44 6.335 -11.655 8.136 1.00 0.51 C ATOM 711 OG SER A 44 5.492 -12.734 7.771 1.00 0.59 O ATOM 0 H SER A 44 8.150 -10.012 8.492 1.00 0.45 H new ATOM 0 HA SER A 44 8.090 -12.874 8.233 1.00 0.47 H new ATOM 0 HB2 SER A 44 6.257 -11.477 9.209 1.00 0.51 H new ATOM 0 HB3 SER A 44 6.001 -10.745 7.637 1.00 0.51 H new ATOM 0 HG SER A 44 4.567 -12.526 8.020 1.00 0.59 H new ATOM 717 N PHE A 45 7.884 -10.959 5.545 1.00 0.42 N ATOM 718 CA PHE A 45 7.888 -10.974 4.085 1.00 0.41 C ATOM 719 C PHE A 45 9.087 -11.742 3.564 1.00 0.42 C ATOM 720 O PHE A 45 8.942 -12.731 2.843 1.00 0.46 O ATOM 721 CB PHE A 45 7.893 -9.562 3.496 1.00 0.45 C ATOM 722 CG PHE A 45 7.704 -9.578 2.005 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.445 -9.769 1.459 1.00 1.83 C ATOM 724 CD2 PHE A 45 8.783 -9.429 1.151 1.00 1.81 C ATOM 725 CE1 PHE A 45 6.267 -9.811 0.089 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.612 -9.466 -0.219 1.00 2.38 C ATOM 727 CZ PHE A 45 7.353 -9.659 -0.750 1.00 2.41 C ATOM 0 H PHE A 45 7.836 -10.027 5.957 1.00 0.42 H new ATOM 0 HA PHE A 45 6.969 -11.469 3.770 1.00 0.41 H new ATOM 0 HB2 PHE A 45 7.100 -8.973 3.957 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.836 -9.071 3.738 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.593 -9.886 2.112 1.00 1.83 H new ATOM 0 HD2 PHE A 45 9.771 -9.282 1.561 1.00 1.81 H new ATOM 0 HE1 PHE A 45 5.281 -9.962 -0.324 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.462 -9.344 -0.874 1.00 2.38 H new ATOM 0 HZ PHE A 45 7.217 -9.691 -1.821 1.00 2.41 H new ATOM 737 N LEU A 46 10.268 -11.296 3.941 1.00 0.45 N ATOM 738 CA LEU A 46 11.479 -11.948 3.487 1.00 0.57 C ATOM 739 C LEU A 46 11.932 -13.028 4.447 1.00 0.65 C ATOM 740 O LEU A 46 12.830 -13.788 4.130 1.00 0.66 O ATOM 741 CB LEU A 46 12.593 -10.947 3.249 1.00 0.67 C ATOM 742 CG LEU A 46 12.419 -10.077 2.012 1.00 0.57 C ATOM 743 CD1 LEU A 46 13.686 -9.306 1.758 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.051 -10.921 0.796 1.00 0.55 C ATOM 0 H LEU A 46 10.415 -10.494 4.554 1.00 0.45 H new ATOM 0 HA LEU A 46 11.241 -12.426 2.536 1.00 0.57 H new ATOM 0 HB2 LEU A 46 12.673 -10.300 4.122 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.536 -11.488 3.166 1.00 0.67 H new ATOM 0 HG LEU A 46 11.602 -9.377 2.187 1.00 0.57 H new ATOM 0 HD11 LEU A 46 13.561 -8.683 0.872 1.00 0.71 H new ATOM 0 HD12 LEU A 46 13.906 -8.674 2.618 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.510 -10.002 1.599 1.00 0.71 H new ATOM 0 HD21 LEU A 46 11.933 -10.274 -0.073 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.842 -11.646 0.604 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.115 -11.446 0.987 1.00 0.55 H new ATOM 756 N GLY A 47 11.307 -13.123 5.609 1.00 0.74 N ATOM 757 CA GLY A 47 11.578 -14.256 6.476 1.00 0.90 C ATOM 758 C GLY A 47 11.290 -15.544 5.742 1.00 0.89 C ATOM 759 O GLY A 47 11.867 -16.593 6.026 1.00 0.99 O ATOM 0 H GLY A 47 10.628 -12.451 5.966 1.00 0.74 H new ATOM 0 HA2 GLY A 47 12.619 -14.237 6.800 1.00 0.90 H new ATOM 0 HA3 GLY A 47 10.963 -14.193 7.374 1.00 0.90 H new ATOM 763 N LYS A 48 10.395 -15.428 4.774 1.00 0.79 N ATOM 764 CA LYS A 48 10.062 -16.513 3.870 1.00 0.82 C ATOM 765 C LYS A 48 11.128 -16.705 2.782 1.00 0.78 C ATOM 766 O LYS A 48 11.215 -17.776 2.181 1.00 0.87 O ATOM 767 CB LYS A 48 8.733 -16.187 3.204 1.00 0.82 C ATOM 768 CG LYS A 48 7.867 -17.399 2.904 1.00 1.08 C ATOM 769 CD LYS A 48 7.324 -18.024 4.178 1.00 1.51 C ATOM 770 CE LYS A 48 6.408 -19.195 3.878 1.00 2.27 C ATOM 771 NZ LYS A 48 5.752 -19.711 5.105 1.00 3.17 N ATOM 0 H LYS A 48 9.875 -14.569 4.593 1.00 0.79 H new ATOM 0 HA LYS A 48 10.006 -17.436 4.447 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.175 -15.507 3.848 1.00 0.82 H new ATOM 0 HB3 LYS A 48 8.928 -15.656 2.273 1.00 0.82 H new ATOM 0 HG2 LYS A 48 7.038 -17.105 2.260 1.00 1.08 H new ATOM 0 HG3 LYS A 48 8.451 -18.138 2.355 1.00 1.08 H new ATOM 0 HD2 LYS A 48 8.153 -18.360 4.801 1.00 1.51 H new ATOM 0 HD3 LYS A 48 6.780 -17.272 4.750 1.00 1.51 H new ATOM 0 HE2 LYS A 48 5.647 -18.887 3.161 1.00 2.27 H new ATOM 0 HE3 LYS A 48 6.982 -19.994 3.409 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 5.134 -20.511 4.858 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 6.477 -20.029 5.779 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 5.184 -18.956 5.539 1.00 3.17 H new ATOM 785 N ARG A 49 11.942 -15.677 2.532 1.00 0.73 N ATOM 786 CA ARG A 49 12.810 -15.665 1.354 1.00 0.81 C ATOM 787 C ARG A 49 13.909 -14.593 1.462 1.00 0.74 C ATOM 788 O ARG A 49 13.871 -13.589 0.752 1.00 1.00 O ATOM 789 CB ARG A 49 11.940 -15.394 0.122 1.00 0.95 C ATOM 790 CG ARG A 49 12.293 -16.221 -1.101 1.00 1.17 C ATOM 791 CD ARG A 49 13.608 -15.799 -1.728 1.00 1.02 C ATOM 792 NE ARG A 49 13.802 -16.445 -3.028 1.00 1.61 N ATOM 793 CZ ARG A 49 14.982 -16.718 -3.579 1.00 1.87 C ATOM 794 NH1 ARG A 49 16.105 -16.526 -2.904 1.00 2.14 N ATOM 795 NH2 ARG A 49 15.032 -17.227 -4.802 1.00 2.50 N ATOM 0 H ARG A 49 12.018 -14.850 3.124 1.00 0.73 H new ATOM 0 HA ARG A 49 13.309 -16.631 1.274 1.00 0.81 H new ATOM 0 HB2 ARG A 49 10.898 -15.582 0.382 1.00 0.95 H new ATOM 0 HB3 ARG A 49 12.019 -14.338 -0.136 1.00 0.95 H new ATOM 0 HG2 ARG A 49 12.349 -17.273 -0.821 1.00 1.17 H new ATOM 0 HG3 ARG A 49 11.496 -16.130 -1.839 1.00 1.17 H new ATOM 0 HD2 ARG A 49 13.626 -14.716 -1.850 1.00 1.02 H new ATOM 0 HD3 ARG A 49 14.432 -16.058 -1.063 1.00 1.02 H new ATOM 0 HE ARG A 49 12.967 -16.706 -3.552 1.00 1.61 H new ATOM 0 HH11 ARG A 49 16.072 -16.165 -1.951 1.00 2.14 H new ATOM 0 HH12 ARG A 49 17.003 -16.739 -3.337 1.00 2.14 H new ATOM 0 HH21 ARG A 49 14.169 -17.407 -5.315 1.00 2.50 H new ATOM 0 HH22 ARG A 49 15.933 -17.438 -5.230 1.00 2.50 H new ATOM 809 N THR A 50 14.888 -14.804 2.336 1.00 0.76 N ATOM 810 CA THR A 50 15.978 -13.844 2.489 1.00 0.73 C ATOM 811 C THR A 50 17.253 -14.317 1.809 1.00 0.82 C ATOM 812 O THR A 50 17.976 -15.163 2.335 1.00 1.33 O ATOM 813 CB THR A 50 16.305 -13.553 3.964 1.00 0.74 C ATOM 814 OG1 THR A 50 16.254 -14.766 4.733 1.00 0.84 O ATOM 815 CG2 THR A 50 15.356 -12.525 4.552 1.00 0.63 C ATOM 0 H THR A 50 14.950 -15.621 2.943 1.00 0.76 H new ATOM 0 HA THR A 50 15.621 -12.931 2.013 1.00 0.73 H new ATOM 0 HB THR A 50 17.314 -13.142 4.006 1.00 0.74 H new ATOM 0 HG1 THR A 50 16.784 -15.459 4.286 1.00 0.84 H new ATOM 0 HG21 THR A 50 15.616 -12.344 5.595 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.435 -11.594 3.991 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.334 -12.898 4.493 1.00 0.63 H new ATOM 823 N ASP A 51 17.526 -13.764 0.642 1.00 0.57 N ATOM 824 CA ASP A 51 18.767 -14.034 -0.068 1.00 0.62 C ATOM 825 C ASP A 51 19.206 -12.768 -0.772 1.00 0.58 C ATOM 826 O ASP A 51 18.359 -11.947 -1.112 1.00 0.55 O ATOM 827 CB ASP A 51 18.594 -15.156 -1.099 1.00 0.69 C ATOM 828 CG ASP A 51 18.218 -16.485 -0.473 1.00 1.26 C ATOM 829 OD1 ASP A 51 19.129 -17.258 -0.115 1.00 1.78 O ATOM 830 OD2 ASP A 51 17.006 -16.763 -0.342 1.00 2.01 O ATOM 0 H ASP A 51 16.900 -13.119 0.160 1.00 0.57 H new ATOM 0 HA ASP A 51 19.518 -14.357 0.654 1.00 0.62 H new ATOM 0 HB2 ASP A 51 17.825 -14.868 -1.815 1.00 0.69 H new ATOM 0 HB3 ASP A 51 19.522 -15.274 -1.658 1.00 0.69 H new ATOM 835 N GLU A 52 20.499 -12.588 -0.990 1.00 0.67 N ATOM 836 CA GLU A 52 20.974 -11.399 -1.696 1.00 0.71 C ATOM 837 C GLU A 52 20.364 -11.340 -3.083 1.00 0.67 C ATOM 838 O GLU A 52 19.949 -10.278 -3.551 1.00 0.63 O ATOM 839 CB GLU A 52 22.494 -11.378 -1.787 1.00 0.87 C ATOM 840 CG GLU A 52 23.160 -11.335 -0.431 1.00 0.95 C ATOM 841 CD GLU A 52 24.630 -11.006 -0.513 1.00 1.31 C ATOM 842 OE1 GLU A 52 24.973 -9.806 -0.467 1.00 1.91 O ATOM 843 OE2 GLU A 52 25.449 -11.939 -0.618 1.00 1.81 O ATOM 0 H GLU A 52 21.231 -13.235 -0.696 1.00 0.67 H new ATOM 0 HA GLU A 52 20.662 -10.522 -1.129 1.00 0.71 H new ATOM 0 HB2 GLU A 52 22.834 -12.262 -2.326 1.00 0.87 H new ATOM 0 HB3 GLU A 52 22.807 -10.511 -2.368 1.00 0.87 H new ATOM 0 HG2 GLU A 52 22.660 -10.593 0.191 1.00 0.95 H new ATOM 0 HG3 GLU A 52 23.035 -12.299 0.061 1.00 0.95 H new ATOM 850 N ALA A 53 20.288 -12.497 -3.720 1.00 0.71 N ATOM 851 CA ALA A 53 19.625 -12.617 -5.008 1.00 0.76 C ATOM 852 C ALA A 53 18.151 -12.246 -4.884 1.00 0.66 C ATOM 853 O ALA A 53 17.584 -11.615 -5.770 1.00 0.69 O ATOM 854 CB ALA A 53 19.775 -14.027 -5.550 1.00 0.91 C ATOM 0 H ALA A 53 20.679 -13.369 -3.364 1.00 0.71 H new ATOM 0 HA ALA A 53 20.096 -11.926 -5.707 1.00 0.76 H new ATOM 0 HB1 ALA A 53 19.273 -14.101 -6.515 1.00 0.91 H new ATOM 0 HB2 ALA A 53 20.833 -14.259 -5.672 1.00 0.91 H new ATOM 0 HB3 ALA A 53 19.327 -14.735 -4.853 1.00 0.91 H new ATOM 860 N ALA A 54 17.543 -12.621 -3.764 1.00 0.60 N ATOM 861 CA ALA A 54 16.140 -12.312 -3.516 1.00 0.59 C ATOM 862 C ALA A 54 15.954 -10.815 -3.325 1.00 0.48 C ATOM 863 O ALA A 54 14.999 -10.232 -3.830 1.00 0.46 O ATOM 864 CB ALA A 54 15.634 -13.066 -2.300 1.00 0.64 C ATOM 0 H ALA A 54 18.000 -13.139 -3.014 1.00 0.60 H new ATOM 0 HA ALA A 54 15.560 -12.628 -4.383 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.585 -12.822 -2.131 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.735 -14.138 -2.469 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.218 -12.780 -1.425 1.00 0.64 H new ATOM 870 N PHE A 55 16.876 -10.203 -2.592 1.00 0.46 N ATOM 871 CA PHE A 55 16.891 -8.757 -2.426 1.00 0.42 C ATOM 872 C PHE A 55 17.044 -8.069 -3.771 1.00 0.44 C ATOM 873 O PHE A 55 16.348 -7.107 -4.065 1.00 0.45 O ATOM 874 CB PHE A 55 18.036 -8.331 -1.512 1.00 0.44 C ATOM 875 CG PHE A 55 17.770 -8.574 -0.053 1.00 1.06 C ATOM 876 CD1 PHE A 55 16.874 -7.780 0.642 1.00 1.98 C ATOM 877 CD2 PHE A 55 18.418 -9.594 0.624 1.00 1.87 C ATOM 878 CE1 PHE A 55 16.629 -8.002 1.983 1.00 2.77 C ATOM 879 CE2 PHE A 55 18.175 -9.821 1.964 1.00 2.70 C ATOM 880 CZ PHE A 55 17.281 -9.024 2.644 1.00 2.95 C ATOM 0 H PHE A 55 17.626 -10.690 -2.101 1.00 0.46 H new ATOM 0 HA PHE A 55 15.944 -8.463 -1.974 1.00 0.42 H new ATOM 0 HB2 PHE A 55 18.939 -8.869 -1.802 1.00 0.44 H new ATOM 0 HB3 PHE A 55 18.234 -7.270 -1.664 1.00 0.44 H new ATOM 0 HD1 PHE A 55 16.361 -6.979 0.130 1.00 1.98 H new ATOM 0 HD2 PHE A 55 19.123 -10.220 0.097 1.00 1.87 H new ATOM 0 HE1 PHE A 55 15.927 -7.376 2.515 1.00 2.77 H new ATOM 0 HE2 PHE A 55 18.685 -10.622 2.478 1.00 2.70 H new ATOM 0 HZ PHE A 55 17.090 -9.198 3.693 1.00 2.95 H new ATOM 890 N GLN A 56 17.967 -8.576 -4.572 1.00 0.49 N ATOM 891 CA GLN A 56 18.203 -8.066 -5.914 1.00 0.54 C ATOM 892 C GLN A 56 16.942 -8.181 -6.771 1.00 0.53 C ATOM 893 O GLN A 56 16.582 -7.243 -7.486 1.00 0.57 O ATOM 894 CB GLN A 56 19.353 -8.842 -6.558 1.00 0.62 C ATOM 895 CG GLN A 56 19.595 -8.494 -8.013 1.00 0.76 C ATOM 896 CD GLN A 56 20.042 -7.061 -8.220 1.00 0.98 C ATOM 897 OE1 GLN A 56 21.233 -6.763 -8.192 1.00 1.69 O ATOM 898 NE2 GLN A 56 19.091 -6.166 -8.437 1.00 0.87 N ATOM 0 H GLN A 56 18.574 -9.353 -4.311 1.00 0.49 H new ATOM 0 HA GLN A 56 18.469 -7.011 -5.847 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.266 -8.653 -5.993 1.00 0.62 H new ATOM 0 HB3 GLN A 56 19.146 -9.909 -6.480 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.351 -9.166 -8.419 1.00 0.76 H new ATOM 0 HG3 GLN A 56 18.679 -8.667 -8.578 1.00 0.76 H new ATOM 0 HE21 GLN A 56 18.113 -6.455 -8.452 1.00 0.87 H new ATOM 0 HE22 GLN A 56 19.336 -5.188 -8.589 1.00 0.87 H new ATOM 907 N LYS A 57 16.280 -9.329 -6.695 1.00 0.51 N ATOM 908 CA LYS A 57 15.056 -9.550 -7.452 1.00 0.52 C ATOM 909 C LYS A 57 13.945 -8.633 -6.966 1.00 0.48 C ATOM 910 O LYS A 57 13.294 -7.972 -7.767 1.00 0.48 O ATOM 911 CB LYS A 57 14.609 -11.012 -7.369 1.00 0.55 C ATOM 912 CG LYS A 57 14.765 -11.763 -8.684 1.00 0.76 C ATOM 913 CD LYS A 57 16.227 -11.920 -9.076 1.00 1.01 C ATOM 914 CE LYS A 57 16.905 -13.036 -8.292 1.00 0.87 C ATOM 915 NZ LYS A 57 16.321 -14.370 -8.591 1.00 1.60 N ATOM 0 H LYS A 57 16.570 -10.119 -6.118 1.00 0.51 H new ATOM 0 HA LYS A 57 15.269 -9.317 -8.495 1.00 0.52 H new ATOM 0 HB2 LYS A 57 15.189 -11.519 -6.598 1.00 0.55 H new ATOM 0 HB3 LYS A 57 13.565 -11.049 -7.059 1.00 0.55 H new ATOM 0 HG2 LYS A 57 14.304 -12.747 -8.597 1.00 0.76 H new ATOM 0 HG3 LYS A 57 14.233 -11.230 -9.472 1.00 0.76 H new ATOM 0 HD2 LYS A 57 16.297 -12.131 -10.143 1.00 1.01 H new ATOM 0 HD3 LYS A 57 16.753 -10.981 -8.902 1.00 1.01 H new ATOM 0 HE2 LYS A 57 17.969 -13.047 -8.526 1.00 0.87 H new ATOM 0 HE3 LYS A 57 16.816 -12.834 -7.225 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 17.010 -15.112 -8.353 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 15.458 -14.505 -8.027 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 16.086 -14.427 -9.603 1.00 1.60 H new ATOM 929 N LEU A 58 13.743 -8.588 -5.652 1.00 0.46 N ATOM 930 CA LEU A 58 12.736 -7.722 -5.059 1.00 0.43 C ATOM 931 C LEU A 58 13.006 -6.274 -5.431 1.00 0.43 C ATOM 932 O LEU A 58 12.093 -5.536 -5.788 1.00 0.42 O ATOM 933 CB LEU A 58 12.726 -7.872 -3.539 1.00 0.43 C ATOM 934 CG LEU A 58 11.560 -7.187 -2.837 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.243 -7.771 -3.319 1.00 0.40 C ATOM 936 CD2 LEU A 58 11.697 -7.328 -1.331 1.00 0.41 C ATOM 0 H LEU A 58 14.268 -9.145 -4.977 1.00 0.46 H new ATOM 0 HA LEU A 58 11.760 -8.015 -5.446 1.00 0.43 H new ATOM 0 HB2 LEU A 58 12.707 -8.934 -3.293 1.00 0.43 H new ATOM 0 HB3 LEU A 58 13.658 -7.469 -3.142 1.00 0.43 H new ATOM 0 HG LEU A 58 11.573 -6.125 -3.082 1.00 0.39 H new ATOM 0 HD11 LEU A 58 9.417 -7.274 -2.811 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.150 -7.621 -4.395 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.216 -8.838 -3.098 1.00 0.40 H new ATOM 0 HD21 LEU A 58 10.858 -6.834 -0.841 1.00 0.41 H new ATOM 0 HD22 LEU A 58 11.703 -8.385 -1.064 1.00 0.41 H new ATOM 0 HD23 LEU A 58 12.629 -6.866 -1.006 1.00 0.41 H new ATOM 948 N MET A 59 14.269 -5.885 -5.344 1.00 0.46 N ATOM 949 CA MET A 59 14.707 -4.572 -5.782 1.00 0.48 C ATOM 950 C MET A 59 14.258 -4.325 -7.210 1.00 0.48 C ATOM 951 O MET A 59 13.508 -3.401 -7.472 1.00 0.49 O ATOM 952 CB MET A 59 16.232 -4.468 -5.671 1.00 0.54 C ATOM 953 CG MET A 59 16.825 -3.263 -6.382 1.00 0.57 C ATOM 954 SD MET A 59 18.384 -2.723 -5.666 1.00 1.64 S ATOM 955 CE MET A 59 17.820 -2.020 -4.120 1.00 2.39 C ATOM 0 H MET A 59 15.016 -6.470 -4.969 1.00 0.46 H new ATOM 0 HA MET A 59 14.259 -3.812 -5.142 1.00 0.48 H new ATOM 0 HB2 MET A 59 16.507 -4.426 -4.617 1.00 0.54 H new ATOM 0 HB3 MET A 59 16.678 -5.374 -6.081 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.979 -3.508 -7.433 1.00 0.57 H new ATOM 0 HG3 MET A 59 16.111 -2.440 -6.348 1.00 0.57 H new ATOM 0 HE1 MET A 59 18.403 -1.127 -3.892 1.00 2.39 H new ATOM 0 HE2 MET A 59 16.766 -1.754 -4.204 1.00 2.39 H new ATOM 0 HE3 MET A 59 17.947 -2.750 -3.321 1.00 2.39 H new ATOM 965 N SER A 60 14.686 -5.196 -8.105 1.00 0.50 N ATOM 966 CA SER A 60 14.321 -5.125 -9.518 1.00 0.53 C ATOM 967 C SER A 60 12.796 -5.104 -9.719 1.00 0.52 C ATOM 968 O SER A 60 12.296 -4.572 -10.709 1.00 0.56 O ATOM 969 CB SER A 60 14.946 -6.317 -10.254 1.00 0.56 C ATOM 970 OG SER A 60 14.548 -6.369 -11.612 1.00 1.35 O ATOM 0 H SER A 60 15.300 -5.978 -7.877 1.00 0.50 H new ATOM 0 HA SER A 60 14.705 -4.191 -9.928 1.00 0.53 H new ATOM 0 HB2 SER A 60 16.032 -6.249 -10.197 1.00 0.56 H new ATOM 0 HB3 SER A 60 14.658 -7.243 -9.756 1.00 0.56 H new ATOM 0 HG SER A 60 14.968 -7.140 -12.047 1.00 1.35 H new ATOM 976 N ASN A 61 12.064 -5.682 -8.775 1.00 0.49 N ATOM 977 CA ASN A 61 10.604 -5.720 -8.844 1.00 0.51 C ATOM 978 C ASN A 61 10.012 -4.351 -8.548 1.00 0.50 C ATOM 979 O ASN A 61 9.211 -3.820 -9.318 1.00 0.57 O ATOM 980 CB ASN A 61 10.035 -6.730 -7.842 1.00 0.49 C ATOM 981 CG ASN A 61 10.324 -8.168 -8.216 1.00 0.58 C ATOM 982 OD1 ASN A 61 10.454 -8.508 -9.393 1.00 0.80 O ATOM 983 ND2 ASN A 61 10.421 -9.030 -7.216 1.00 0.58 N ATOM 0 H ASN A 61 12.457 -6.133 -7.949 1.00 0.49 H new ATOM 0 HA ASN A 61 10.335 -6.022 -9.856 1.00 0.51 H new ATOM 0 HB2 ASN A 61 10.451 -6.527 -6.855 1.00 0.49 H new ATOM 0 HB3 ASN A 61 8.957 -6.590 -7.768 1.00 0.49 H new ATOM 0 HD21 ASN A 61 10.610 -10.014 -7.407 1.00 0.58 H new ATOM 0 HD22 ASN A 61 10.307 -8.710 -6.254 1.00 0.58 H new ATOM 990 N LEU A 62 10.419 -3.794 -7.422 1.00 0.44 N ATOM 991 CA LEU A 62 9.878 -2.532 -6.942 1.00 0.44 C ATOM 992 C LEU A 62 10.478 -1.392 -7.732 1.00 0.49 C ATOM 993 O LEU A 62 9.768 -0.541 -8.259 1.00 0.55 O ATOM 994 CB LEU A 62 10.215 -2.364 -5.463 1.00 0.38 C ATOM 995 CG LEU A 62 10.161 -3.659 -4.654 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.547 -3.406 -3.203 1.00 0.31 C ATOM 997 CD2 LEU A 62 8.786 -4.304 -4.763 1.00 0.35 C ATOM 0 H LEU A 62 11.131 -4.200 -6.815 1.00 0.44 H new ATOM 0 HA LEU A 62 8.795 -2.529 -7.069 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.214 -1.937 -5.376 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.522 -1.646 -5.024 1.00 0.38 H new ATOM 0 HG LEU A 62 10.887 -4.357 -5.070 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.502 -4.342 -2.646 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.561 -3.007 -3.160 1.00 0.31 H new ATOM 0 HD13 LEU A 62 9.856 -2.688 -2.763 1.00 0.31 H new ATOM 0 HD21 LEU A 62 8.769 -5.225 -4.180 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.031 -3.618 -4.380 1.00 0.35 H new ATOM 0 HD23 LEU A 62 8.573 -4.532 -5.807 1.00 0.35 H new ATOM 1009 N ASP A 63 11.796 -1.412 -7.805 1.00 0.48 N ATOM 1010 CA ASP A 63 12.573 -0.454 -8.569 1.00 0.54 C ATOM 1011 C ASP A 63 12.296 -0.642 -10.058 1.00 0.57 C ATOM 1012 O ASP A 63 13.026 -1.336 -10.764 1.00 0.63 O ATOM 1013 CB ASP A 63 14.056 -0.665 -8.235 1.00 0.56 C ATOM 1014 CG ASP A 63 15.013 0.054 -9.148 1.00 0.67 C ATOM 1015 OD1 ASP A 63 14.820 1.252 -9.402 1.00 1.24 O ATOM 1016 OD2 ASP A 63 15.977 -0.588 -9.611 1.00 1.34 O ATOM 0 H ASP A 63 12.367 -2.108 -7.326 1.00 0.48 H new ATOM 0 HA ASP A 63 12.296 0.568 -8.312 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.235 -0.336 -7.211 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.274 -1.732 -8.269 1.00 0.56 H new ATOM 1021 N SER A 64 11.214 -0.036 -10.523 1.00 0.59 N ATOM 1022 CA SER A 64 10.762 -0.220 -11.890 1.00 0.64 C ATOM 1023 C SER A 64 11.587 0.639 -12.840 1.00 0.66 C ATOM 1024 O SER A 64 11.660 0.367 -14.040 1.00 0.76 O ATOM 1025 CB SER A 64 9.269 0.118 -12.000 1.00 0.72 C ATOM 1026 OG SER A 64 8.731 -0.279 -13.250 1.00 1.37 O ATOM 0 H SER A 64 10.631 0.591 -9.968 1.00 0.59 H new ATOM 0 HA SER A 64 10.899 -1.264 -12.173 1.00 0.64 H new ATOM 0 HB2 SER A 64 8.724 -0.377 -11.196 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.128 1.191 -11.868 1.00 0.72 H new ATOM 0 HG SER A 64 7.779 -0.050 -13.284 1.00 1.37 H new ATOM 1032 N ASN A 65 12.226 1.671 -12.296 1.00 0.63 N ATOM 1033 CA ASN A 65 13.096 2.525 -13.099 1.00 0.72 C ATOM 1034 C ASN A 65 14.466 1.864 -13.250 1.00 0.69 C ATOM 1035 O ASN A 65 15.296 2.270 -14.064 1.00 0.77 O ATOM 1036 CB ASN A 65 13.221 3.925 -12.478 1.00 0.79 C ATOM 1037 CG ASN A 65 14.492 4.096 -11.682 1.00 1.01 C ATOM 1038 OD1 ASN A 65 15.486 4.634 -12.174 1.00 1.65 O ATOM 1039 ND2 ASN A 65 14.476 3.626 -10.453 1.00 1.16 N ATOM 0 H ASN A 65 12.159 1.934 -11.313 1.00 0.63 H new ATOM 0 HA ASN A 65 12.655 2.648 -14.088 1.00 0.72 H new ATOM 0 HB2 ASN A 65 13.189 4.674 -13.270 1.00 0.79 H new ATOM 0 HB3 ASN A 65 12.364 4.109 -11.830 1.00 0.79 H new ATOM 0 HD21 ASN A 65 15.308 3.700 -9.868 1.00 1.16 H new ATOM 0 HD22 ASN A 65 13.631 3.188 -10.085 1.00 1.16 H new ATOM 1046 N ARG A 66 14.654 0.810 -12.451 1.00 0.60 N ATOM 1047 CA ARG A 66 15.856 -0.008 -12.457 1.00 0.60 C ATOM 1048 C ARG A 66 17.106 0.815 -12.175 1.00 0.61 C ATOM 1049 O ARG A 66 18.102 0.739 -12.894 1.00 0.69 O ATOM 1050 CB ARG A 66 15.964 -0.761 -13.767 1.00 0.67 C ATOM 1051 CG ARG A 66 14.776 -1.673 -14.035 1.00 0.71 C ATOM 1052 CD ARG A 66 14.633 -2.760 -12.974 1.00 0.71 C ATOM 1053 NE ARG A 66 13.527 -3.666 -13.275 1.00 0.78 N ATOM 1054 CZ ARG A 66 13.647 -4.774 -14.002 1.00 1.20 C ATOM 1055 NH1 ARG A 66 14.825 -5.116 -14.505 1.00 2.24 N ATOM 1056 NH2 ARG A 66 12.589 -5.540 -14.219 1.00 1.15 N ATOM 0 H ARG A 66 13.959 0.501 -11.772 1.00 0.60 H new ATOM 0 HA ARG A 66 15.778 -0.734 -11.648 1.00 0.60 H new ATOM 0 HB2 ARG A 66 16.055 -0.045 -14.584 1.00 0.67 H new ATOM 0 HB3 ARG A 66 16.877 -1.357 -13.762 1.00 0.67 H new ATOM 0 HG2 ARG A 66 13.863 -1.078 -14.068 1.00 0.71 H new ATOM 0 HG3 ARG A 66 14.890 -2.137 -15.015 1.00 0.71 H new ATOM 0 HD2 ARG A 66 15.561 -3.328 -12.907 1.00 0.71 H new ATOM 0 HD3 ARG A 66 14.471 -2.299 -12.000 1.00 0.71 H new ATOM 0 HE ARG A 66 12.605 -3.435 -12.905 1.00 0.78 H new ATOM 0 HH11 ARG A 66 15.642 -4.529 -14.335 1.00 2.24 H new ATOM 0 HH12 ARG A 66 14.914 -5.966 -15.062 1.00 2.24 H new ATOM 0 HH21 ARG A 66 11.683 -5.281 -13.829 1.00 1.15 H new ATOM 0 HH22 ARG A 66 12.680 -6.390 -14.776 1.00 1.15 H new ATOM 1070 N ASP A 67 17.033 1.581 -11.101 1.00 0.58 N ATOM 1071 CA ASP A 67 18.149 2.396 -10.630 1.00 0.62 C ATOM 1072 C ASP A 67 18.913 1.634 -9.555 1.00 0.56 C ATOM 1073 O ASP A 67 20.015 2.014 -9.157 1.00 0.57 O ATOM 1074 CB ASP A 67 17.619 3.725 -10.071 1.00 0.70 C ATOM 1075 CG ASP A 67 18.699 4.655 -9.548 1.00 1.07 C ATOM 1076 OD1 ASP A 67 19.724 4.837 -10.237 1.00 1.64 O ATOM 1077 OD2 ASP A 67 18.518 5.221 -8.448 1.00 1.72 O ATOM 0 H ASP A 67 16.195 1.659 -10.525 1.00 0.58 H new ATOM 0 HA ASP A 67 18.823 2.611 -11.459 1.00 0.62 H new ATOM 0 HB2 ASP A 67 17.061 4.239 -10.854 1.00 0.70 H new ATOM 0 HB3 ASP A 67 16.916 3.513 -9.265 1.00 0.70 H new ATOM 1082 N ASN A 68 18.301 0.533 -9.114 1.00 0.53 N ATOM 1083 CA ASN A 68 18.833 -0.314 -8.049 1.00 0.51 C ATOM 1084 C ASN A 68 18.772 0.399 -6.721 1.00 0.47 C ATOM 1085 O ASN A 68 19.575 0.161 -5.818 1.00 0.48 O ATOM 1086 CB ASN A 68 20.238 -0.821 -8.368 1.00 0.58 C ATOM 1087 CG ASN A 68 20.183 -2.127 -9.131 1.00 0.73 C ATOM 1088 OD1 ASN A 68 21.142 -2.900 -9.144 1.00 1.08 O ATOM 1089 ND2 ASN A 68 19.031 -2.411 -9.720 1.00 0.66 N ATOM 0 H ASN A 68 17.413 0.203 -9.491 1.00 0.53 H new ATOM 0 HA ASN A 68 18.200 -1.199 -7.978 1.00 0.51 H new ATOM 0 HB2 ASN A 68 20.773 -0.075 -8.955 1.00 0.58 H new ATOM 0 HB3 ASN A 68 20.797 -0.959 -7.443 1.00 0.58 H new ATOM 0 HD21 ASN A 68 18.913 -3.299 -10.208 1.00 0.66 H new ATOM 0 HD22 ASN A 68 18.262 -1.742 -9.685 1.00 0.66 H new ATOM 1096 N GLU A 69 17.797 1.278 -6.630 1.00 0.46 N ATOM 1097 CA GLU A 69 17.430 1.923 -5.395 1.00 0.42 C ATOM 1098 C GLU A 69 15.925 2.097 -5.383 1.00 0.41 C ATOM 1099 O GLU A 69 15.362 2.772 -6.244 1.00 0.44 O ATOM 1100 CB GLU A 69 18.112 3.276 -5.255 1.00 0.46 C ATOM 1101 CG GLU A 69 19.626 3.196 -5.213 1.00 0.50 C ATOM 1102 CD GLU A 69 20.293 4.552 -5.281 1.00 0.65 C ATOM 1103 OE1 GLU A 69 19.764 5.515 -4.694 1.00 1.29 O ATOM 1104 OE2 GLU A 69 21.370 4.656 -5.908 1.00 1.31 O ATOM 0 H GLU A 69 17.230 1.567 -7.427 1.00 0.46 H new ATOM 0 HA GLU A 69 17.752 1.306 -4.556 1.00 0.42 H new ATOM 0 HB2 GLU A 69 17.814 3.911 -6.089 1.00 0.46 H new ATOM 0 HB3 GLU A 69 17.757 3.759 -4.344 1.00 0.46 H new ATOM 0 HG2 GLU A 69 19.932 2.693 -4.296 1.00 0.50 H new ATOM 0 HG3 GLU A 69 19.975 2.584 -6.045 1.00 0.50 H new ATOM 1111 N VAL A 70 15.286 1.482 -4.419 1.00 0.37 N ATOM 1112 CA VAL A 70 13.830 1.495 -4.346 1.00 0.36 C ATOM 1113 C VAL A 70 13.345 2.804 -3.762 1.00 0.35 C ATOM 1114 O VAL A 70 13.620 3.116 -2.608 1.00 0.36 O ATOM 1115 CB VAL A 70 13.282 0.327 -3.500 1.00 0.34 C ATOM 1116 CG1 VAL A 70 11.820 0.554 -3.149 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.432 -0.982 -4.246 1.00 0.37 C ATOM 0 H VAL A 70 15.744 0.963 -3.669 1.00 0.37 H new ATOM 0 HA VAL A 70 13.458 1.381 -5.364 1.00 0.36 H new ATOM 0 HB VAL A 70 13.860 0.279 -2.577 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.455 -0.282 -2.552 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.722 1.477 -2.578 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.234 0.630 -4.065 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.041 -1.796 -3.635 1.00 0.37 H new ATOM 0 HG22 VAL A 70 12.877 -0.932 -5.183 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.486 -1.162 -4.457 1.00 0.37 H new ATOM 1127 N ASP A 71 12.632 3.571 -4.564 1.00 0.38 N ATOM 1128 CA ASP A 71 12.169 4.872 -4.120 1.00 0.39 C ATOM 1129 C ASP A 71 10.971 4.743 -3.200 1.00 0.37 C ATOM 1130 O ASP A 71 10.316 3.702 -3.167 1.00 0.35 O ATOM 1131 CB ASP A 71 11.847 5.786 -5.313 1.00 0.45 C ATOM 1132 CG ASP A 71 10.362 6.079 -5.495 1.00 0.77 C ATOM 1133 OD1 ASP A 71 9.855 7.026 -4.866 1.00 1.35 O ATOM 1134 OD2 ASP A 71 9.697 5.382 -6.269 1.00 1.43 O ATOM 0 H ASP A 71 12.363 3.320 -5.515 1.00 0.38 H new ATOM 0 HA ASP A 71 12.979 5.333 -3.554 1.00 0.39 H new ATOM 0 HB2 ASP A 71 12.379 6.729 -5.187 1.00 0.45 H new ATOM 0 HB3 ASP A 71 12.229 5.324 -6.223 1.00 0.45 H new ATOM 1139 N PHE A 72 10.732 5.798 -2.435 1.00 0.41 N ATOM 1140 CA PHE A 72 9.577 5.908 -1.552 1.00 0.44 C ATOM 1141 C PHE A 72 8.333 5.306 -2.192 1.00 0.40 C ATOM 1142 O PHE A 72 7.702 4.397 -1.648 1.00 0.42 O ATOM 1143 CB PHE A 72 9.326 7.385 -1.291 1.00 0.54 C ATOM 1144 CG PHE A 72 9.451 7.819 0.133 1.00 0.94 C ATOM 1145 CD1 PHE A 72 8.570 7.360 1.091 1.00 1.70 C ATOM 1146 CD2 PHE A 72 10.440 8.711 0.507 1.00 1.69 C ATOM 1147 CE1 PHE A 72 8.679 7.777 2.398 1.00 2.17 C ATOM 1148 CE2 PHE A 72 10.550 9.136 1.814 1.00 2.18 C ATOM 1149 CZ PHE A 72 9.667 8.667 2.761 1.00 2.15 C ATOM 0 H PHE A 72 11.343 6.614 -2.409 1.00 0.41 H new ATOM 0 HA PHE A 72 9.782 5.367 -0.628 1.00 0.44 H new ATOM 0 HB2 PHE A 72 10.026 7.966 -1.892 1.00 0.54 H new ATOM 0 HB3 PHE A 72 8.324 7.632 -1.641 1.00 0.54 H new ATOM 0 HD1 PHE A 72 7.789 6.668 0.813 1.00 1.70 H new ATOM 0 HD2 PHE A 72 11.134 9.079 -0.234 1.00 1.69 H new ATOM 0 HE1 PHE A 72 7.989 7.406 3.141 1.00 2.17 H new ATOM 0 HE2 PHE A 72 11.325 9.834 2.094 1.00 2.18 H new ATOM 0 HZ PHE A 72 9.748 8.996 3.786 1.00 2.15 H new ATOM 1159 N GLN A 73 8.004 5.825 -3.362 1.00 0.38 N ATOM 1160 CA GLN A 73 6.844 5.381 -4.117 1.00 0.37 C ATOM 1161 C GLN A 73 6.951 3.909 -4.536 1.00 0.36 C ATOM 1162 O GLN A 73 6.019 3.145 -4.305 1.00 0.37 O ATOM 1163 CB GLN A 73 6.638 6.285 -5.335 1.00 0.41 C ATOM 1164 CG GLN A 73 5.486 5.861 -6.224 1.00 0.50 C ATOM 1165 CD GLN A 73 5.955 5.197 -7.498 1.00 0.42 C ATOM 1166 OE1 GLN A 73 6.105 5.849 -8.530 1.00 0.63 O ATOM 1167 NE2 GLN A 73 6.236 3.910 -7.420 1.00 0.41 N ATOM 0 H GLN A 73 8.535 6.568 -3.817 1.00 0.38 H new ATOM 0 HA GLN A 73 5.974 5.456 -3.465 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.464 7.305 -4.993 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.554 6.298 -5.925 1.00 0.41 H new ATOM 0 HG2 GLN A 73 4.841 5.174 -5.676 1.00 0.50 H new ATOM 0 HG3 GLN A 73 4.883 6.734 -6.473 1.00 0.50 H new ATOM 0 HE21 GLN A 73 6.096 3.410 -6.542 1.00 0.41 H new ATOM 0 HE22 GLN A 73 6.594 3.416 -8.237 1.00 0.41 H new ATOM 1176 N GLU A 74 8.064 3.508 -5.167 1.00 0.37 N ATOM 1177 CA GLU A 74 8.257 2.112 -5.575 1.00 0.40 C ATOM 1178 C GLU A 74 8.121 1.185 -4.372 1.00 0.38 C ATOM 1179 O GLU A 74 7.670 0.047 -4.494 1.00 0.41 O ATOM 1180 CB GLU A 74 9.634 1.917 -6.225 1.00 0.45 C ATOM 1181 CG GLU A 74 9.890 2.816 -7.427 1.00 0.59 C ATOM 1182 CD GLU A 74 9.169 2.397 -8.693 1.00 1.40 C ATOM 1183 OE1 GLU A 74 7.923 2.318 -8.691 1.00 2.18 O ATOM 1184 OE2 GLU A 74 9.851 2.167 -9.712 1.00 2.04 O ATOM 0 H GLU A 74 8.839 4.127 -5.404 1.00 0.37 H new ATOM 0 HA GLU A 74 7.488 1.866 -6.307 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.406 2.101 -5.477 1.00 0.45 H new ATOM 0 HB3 GLU A 74 9.733 0.877 -6.536 1.00 0.45 H new ATOM 0 HG2 GLU A 74 9.591 3.833 -7.174 1.00 0.59 H new ATOM 0 HG3 GLU A 74 10.962 2.839 -7.625 1.00 0.59 H new ATOM 1191 N TYR A 75 8.493 1.692 -3.206 1.00 0.34 N ATOM 1192 CA TYR A 75 8.392 0.931 -1.979 1.00 0.37 C ATOM 1193 C TYR A 75 6.948 0.910 -1.477 1.00 0.34 C ATOM 1194 O TYR A 75 6.482 -0.088 -0.933 1.00 0.34 O ATOM 1195 CB TYR A 75 9.300 1.516 -0.903 1.00 0.43 C ATOM 1196 CG TYR A 75 9.226 0.725 0.384 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.833 -0.519 0.481 1.00 1.72 C ATOM 1198 CD2 TYR A 75 8.521 1.199 1.484 1.00 1.50 C ATOM 1199 CE1 TYR A 75 9.741 -1.268 1.633 1.00 2.09 C ATOM 1200 CE2 TYR A 75 8.432 0.456 2.647 1.00 1.86 C ATOM 1201 CZ TYR A 75 9.041 -0.779 2.713 1.00 1.84 C ATOM 1202 OH TYR A 75 8.945 -1.535 3.858 1.00 2.33 O ATOM 0 H TYR A 75 8.869 2.633 -3.088 1.00 0.34 H new ATOM 0 HA TYR A 75 8.710 -0.090 -2.191 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.329 1.529 -1.263 1.00 0.43 H new ATOM 0 HB3 TYR A 75 9.016 2.551 -0.711 1.00 0.43 H new ATOM 0 HD1 TYR A 75 10.387 -0.906 -0.361 1.00 1.72 H new ATOM 0 HD2 TYR A 75 8.035 2.162 1.430 1.00 1.50 H new ATOM 0 HE1 TYR A 75 10.217 -2.236 1.689 1.00 2.09 H new ATOM 0 HE2 TYR A 75 7.889 0.841 3.498 1.00 1.86 H new ATOM 0 HH TYR A 75 8.049 -1.434 4.243 1.00 2.33 H new ATOM 1212 N SER A 76 6.244 2.017 -1.657 1.00 0.35 N ATOM 1213 CA SER A 76 4.837 2.093 -1.286 1.00 0.37 C ATOM 1214 C SER A 76 4.030 1.141 -2.165 1.00 0.36 C ATOM 1215 O SER A 76 3.039 0.555 -1.734 1.00 0.41 O ATOM 1216 CB SER A 76 4.324 3.527 -1.440 1.00 0.41 C ATOM 1217 OG SER A 76 5.126 4.437 -0.704 1.00 1.21 O ATOM 0 H SER A 76 6.623 2.875 -2.057 1.00 0.35 H new ATOM 0 HA SER A 76 4.723 1.800 -0.242 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.325 3.806 -2.494 1.00 0.41 H new ATOM 0 HB3 SER A 76 3.291 3.586 -1.096 1.00 0.41 H new ATOM 0 HG SER A 76 6.023 4.474 -1.097 1.00 1.21 H new ATOM 1223 N VAL A 77 4.509 0.981 -3.391 1.00 0.35 N ATOM 1224 CA VAL A 77 3.928 0.065 -4.359 1.00 0.36 C ATOM 1225 C VAL A 77 4.243 -1.367 -3.952 1.00 0.33 C ATOM 1226 O VAL A 77 3.481 -2.299 -4.205 1.00 0.33 O ATOM 1227 CB VAL A 77 4.492 0.361 -5.769 1.00 0.40 C ATOM 1228 CG1 VAL A 77 4.188 -0.761 -6.746 1.00 0.43 C ATOM 1229 CG2 VAL A 77 3.942 1.679 -6.288 1.00 0.44 C ATOM 0 H VAL A 77 5.320 1.489 -3.744 1.00 0.35 H new ATOM 0 HA VAL A 77 2.846 0.198 -4.383 1.00 0.36 H new ATOM 0 HB VAL A 77 5.576 0.435 -5.683 1.00 0.40 H new ATOM 0 HG11 VAL A 77 4.601 -0.514 -7.724 1.00 0.43 H new ATOM 0 HG12 VAL A 77 4.636 -1.688 -6.387 1.00 0.43 H new ATOM 0 HG13 VAL A 77 3.109 -0.888 -6.830 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.346 1.876 -7.281 1.00 0.44 H new ATOM 0 HG22 VAL A 77 2.855 1.623 -6.343 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.230 2.485 -5.613 1.00 0.44 H new ATOM 1239 N PHE A 78 5.381 -1.516 -3.301 1.00 0.32 N ATOM 1240 CA PHE A 78 5.795 -2.786 -2.747 1.00 0.29 C ATOM 1241 C PHE A 78 4.844 -3.226 -1.645 1.00 0.27 C ATOM 1242 O PHE A 78 4.320 -4.339 -1.672 1.00 0.28 O ATOM 1243 CB PHE A 78 7.206 -2.655 -2.188 1.00 0.27 C ATOM 1244 CG PHE A 78 7.669 -3.860 -1.420 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.452 -5.140 -1.902 1.00 1.22 C ATOM 1246 CD2 PHE A 78 8.317 -3.706 -0.211 1.00 1.18 C ATOM 1247 CE1 PHE A 78 7.875 -6.240 -1.189 1.00 1.24 C ATOM 1248 CE2 PHE A 78 8.744 -4.802 0.505 1.00 1.19 C ATOM 1249 CZ PHE A 78 8.522 -6.072 0.016 1.00 0.37 C ATOM 0 H PHE A 78 6.044 -0.757 -3.142 1.00 0.32 H new ATOM 0 HA PHE A 78 5.779 -3.538 -3.536 1.00 0.29 H new ATOM 0 HB2 PHE A 78 7.897 -2.473 -3.011 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.249 -1.782 -1.537 1.00 0.27 H new ATOM 0 HD1 PHE A 78 6.946 -5.277 -2.846 1.00 1.22 H new ATOM 0 HD2 PHE A 78 8.491 -2.714 0.178 1.00 1.18 H new ATOM 0 HE1 PHE A 78 7.700 -7.234 -1.574 1.00 1.24 H new ATOM 0 HE2 PHE A 78 9.252 -4.667 1.448 1.00 1.19 H new ATOM 0 HZ PHE A 78 8.855 -6.933 0.576 1.00 0.37 H new ATOM 1259 N LEU A 79 4.632 -2.344 -0.678 1.00 0.27 N ATOM 1260 CA LEU A 79 3.787 -2.651 0.468 1.00 0.26 C ATOM 1261 C LEU A 79 2.376 -3.022 0.026 1.00 0.31 C ATOM 1262 O LEU A 79 1.774 -3.954 0.563 1.00 0.33 O ATOM 1263 CB LEU A 79 3.750 -1.471 1.441 1.00 0.29 C ATOM 1264 CG LEU A 79 5.118 -0.999 1.942 1.00 0.29 C ATOM 1265 CD1 LEU A 79 4.947 -0.011 3.083 1.00 0.40 C ATOM 1266 CD2 LEU A 79 5.983 -2.180 2.369 1.00 0.30 C ATOM 0 H LEU A 79 5.035 -1.407 -0.664 1.00 0.27 H new ATOM 0 HA LEU A 79 4.217 -3.511 0.981 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.250 -0.634 0.954 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.141 -1.749 2.301 1.00 0.29 H new ATOM 0 HG LEU A 79 5.629 -0.495 1.122 1.00 0.29 H new ATOM 0 HD11 LEU A 79 5.927 0.317 3.430 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.378 0.851 2.735 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.413 -0.491 3.903 1.00 0.40 H new ATOM 0 HD21 LEU A 79 6.948 -1.816 2.720 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.486 -2.723 3.173 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.134 -2.846 1.520 1.00 0.30 H new ATOM 1278 N SER A 80 1.853 -2.307 -0.964 1.00 0.36 N ATOM 1279 CA SER A 80 0.559 -2.651 -1.523 1.00 0.47 C ATOM 1280 C SER A 80 0.627 -3.988 -2.227 1.00 0.37 C ATOM 1281 O SER A 80 -0.251 -4.814 -2.048 1.00 0.38 O ATOM 1282 CB SER A 80 0.071 -1.588 -2.492 1.00 0.66 C ATOM 1283 OG SER A 80 1.121 -1.144 -3.332 1.00 0.84 O ATOM 0 H SER A 80 2.302 -1.496 -1.389 1.00 0.36 H new ATOM 0 HA SER A 80 -0.149 -2.712 -0.697 1.00 0.47 H new ATOM 0 HB2 SER A 80 -0.740 -1.990 -3.100 1.00 0.66 H new ATOM 0 HB3 SER A 80 -0.336 -0.744 -1.936 1.00 0.66 H new ATOM 0 HG SER A 80 1.800 -1.847 -3.407 1.00 0.84 H new ATOM 1289 N SER A 81 1.678 -4.196 -3.017 1.00 0.33 N ATOM 1290 CA SER A 81 1.870 -5.455 -3.722 1.00 0.30 C ATOM 1291 C SER A 81 1.784 -6.621 -2.743 1.00 0.24 C ATOM 1292 O SER A 81 1.116 -7.619 -3.010 1.00 0.26 O ATOM 1293 CB SER A 81 3.221 -5.464 -4.448 1.00 0.37 C ATOM 1294 OG SER A 81 3.364 -6.615 -5.263 1.00 1.22 O ATOM 0 H SER A 81 2.410 -3.505 -3.183 1.00 0.33 H new ATOM 0 HA SER A 81 1.081 -5.563 -4.466 1.00 0.30 H new ATOM 0 HB2 SER A 81 3.311 -4.568 -5.062 1.00 0.37 H new ATOM 0 HB3 SER A 81 4.029 -5.432 -3.717 1.00 0.37 H new ATOM 0 HG SER A 81 4.234 -6.591 -5.713 1.00 1.22 H new ATOM 1300 N ILE A 82 2.430 -6.469 -1.590 1.00 0.23 N ATOM 1301 CA ILE A 82 2.367 -7.473 -0.536 1.00 0.23 C ATOM 1302 C ILE A 82 0.924 -7.747 -0.137 1.00 0.27 C ATOM 1303 O ILE A 82 0.460 -8.886 -0.171 1.00 0.30 O ATOM 1304 CB ILE A 82 3.123 -7.026 0.727 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.573 -6.663 0.399 1.00 0.21 C ATOM 1306 CG2 ILE A 82 3.058 -8.122 1.782 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.371 -6.232 1.609 1.00 0.23 C ATOM 0 H ILE A 82 3.004 -5.657 -1.363 1.00 0.23 H new ATOM 0 HA ILE A 82 2.832 -8.372 -0.941 1.00 0.23 H new ATOM 0 HB ILE A 82 2.644 -6.131 1.124 1.00 0.24 H new ATOM 0 HG12 ILE A 82 5.060 -7.523 -0.061 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.581 -5.860 -0.338 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.595 -7.800 2.674 1.00 0.28 H new ATOM 0 HG22 ILE A 82 2.017 -8.321 2.037 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.516 -9.031 1.391 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.389 -5.989 1.306 1.00 0.23 H new ATOM 0 HD12 ILE A 82 4.907 -5.354 2.057 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.393 -7.042 2.338 1.00 0.23 H new ATOM 1319 N ALA A 83 0.224 -6.682 0.237 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.154 -6.782 0.692 1.00 0.36 C ATOM 1321 C ALA A 83 -2.062 -7.338 -0.409 1.00 0.37 C ATOM 1322 O ALA A 83 -3.008 -8.070 -0.133 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.637 -5.418 1.174 1.00 0.40 C ATOM 0 H ALA A 83 0.594 -5.732 0.233 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.198 -7.482 1.527 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.670 -5.497 1.514 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -1.009 -5.080 1.998 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.579 -4.701 0.355 1.00 0.40 H new ATOM 1329 N MET A 84 -1.745 -7.003 -1.657 1.00 0.37 N ATOM 1330 CA MET A 84 -2.484 -7.497 -2.816 1.00 0.43 C ATOM 1331 C MET A 84 -2.294 -8.995 -2.962 1.00 0.34 C ATOM 1332 O MET A 84 -3.257 -9.747 -3.064 1.00 0.37 O ATOM 1333 CB MET A 84 -1.998 -6.822 -4.104 1.00 0.64 C ATOM 1334 CG MET A 84 -2.243 -5.327 -4.159 1.00 0.44 C ATOM 1335 SD MET A 84 -1.395 -4.530 -5.540 1.00 1.00 S ATOM 1336 CE MET A 84 -1.983 -5.497 -6.929 1.00 1.26 C ATOM 0 H MET A 84 -0.970 -6.383 -1.893 1.00 0.37 H new ATOM 0 HA MET A 84 -3.537 -7.265 -2.657 1.00 0.43 H new ATOM 0 HB2 MET A 84 -0.930 -7.007 -4.216 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.493 -7.291 -4.954 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.314 -5.142 -4.240 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.911 -4.874 -3.225 1.00 0.44 H new ATOM 0 HE1 MET A 84 -1.138 -5.978 -7.421 1.00 1.26 H new ATOM 0 HE2 MET A 84 -2.678 -6.258 -6.574 1.00 1.26 H new ATOM 0 HE3 MET A 84 -2.492 -4.844 -7.638 1.00 1.26 H new ATOM 1346 N MET A 85 -1.037 -9.414 -2.970 1.00 0.34 N ATOM 1347 CA MET A 85 -0.690 -10.815 -3.150 1.00 0.35 C ATOM 1348 C MET A 85 -1.209 -11.648 -1.986 1.00 0.35 C ATOM 1349 O MET A 85 -1.679 -12.768 -2.176 1.00 0.42 O ATOM 1350 CB MET A 85 0.825 -10.967 -3.288 1.00 0.39 C ATOM 1351 CG MET A 85 1.401 -10.181 -4.458 1.00 1.36 C ATOM 1352 SD MET A 85 0.886 -10.824 -6.063 1.00 2.66 S ATOM 1353 CE MET A 85 1.704 -9.666 -7.158 1.00 3.35 C ATOM 0 H MET A 85 -0.234 -8.796 -2.853 1.00 0.34 H new ATOM 0 HA MET A 85 -1.161 -11.178 -4.064 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.303 -10.636 -2.366 1.00 0.39 H new ATOM 0 HB3 MET A 85 1.068 -12.022 -3.412 1.00 0.39 H new ATOM 0 HG2 MET A 85 1.093 -9.139 -4.375 1.00 1.36 H new ATOM 0 HG3 MET A 85 2.489 -10.197 -4.399 1.00 1.36 H new ATOM 0 HE1 MET A 85 1.484 -9.927 -8.193 1.00 3.35 H new ATOM 0 HE2 MET A 85 1.345 -8.657 -6.954 1.00 3.35 H new ATOM 0 HE3 MET A 85 2.781 -9.708 -6.994 1.00 3.35 H new ATOM 1363 N SER A 86 -1.124 -11.092 -0.782 1.00 0.33 N ATOM 1364 CA SER A 86 -1.694 -11.725 0.398 1.00 0.39 C ATOM 1365 C SER A 86 -3.209 -11.857 0.237 1.00 0.43 C ATOM 1366 O SER A 86 -3.802 -12.871 0.598 1.00 0.57 O ATOM 1367 CB SER A 86 -1.351 -10.897 1.645 1.00 0.43 C ATOM 1368 OG SER A 86 -1.785 -11.528 2.840 1.00 1.24 O ATOM 0 H SER A 86 -0.663 -10.200 -0.599 1.00 0.33 H new ATOM 0 HA SER A 86 -1.272 -12.723 0.515 1.00 0.39 H new ATOM 0 HB2 SER A 86 -0.273 -10.739 1.690 1.00 0.43 H new ATOM 0 HB3 SER A 86 -1.815 -9.914 1.566 1.00 0.43 H new ATOM 0 HG SER A 86 -1.547 -10.970 3.610 1.00 1.24 H new ATOM 1374 N ASN A 87 -3.814 -10.825 -0.339 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.257 -10.773 -0.557 1.00 0.51 C ATOM 1376 C ASN A 87 -5.720 -11.798 -1.591 1.00 0.44 C ATOM 1377 O ASN A 87 -6.528 -12.673 -1.280 1.00 0.53 O ATOM 1378 CB ASN A 87 -5.638 -9.356 -1.008 1.00 0.69 C ATOM 1379 CG ASN A 87 -6.836 -9.290 -1.944 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -6.834 -8.515 -2.896 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -7.878 -10.066 -1.675 1.00 1.49 N ATOM 0 H ASN A 87 -3.317 -9.998 -0.669 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.756 -11.020 0.380 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -5.849 -8.752 -0.125 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -4.780 -8.904 -1.505 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -8.708 -10.029 -2.267 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -7.849 -10.700 -0.876 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.219 -11.681 -2.815 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.699 -12.507 -3.917 1.00 0.43 C ATOM 1390 C GLU A 88 -5.399 -13.980 -3.660 1.00 0.52 C ATOM 1391 O GLU A 88 -6.076 -14.867 -4.176 1.00 0.66 O ATOM 1392 CB GLU A 88 -5.073 -12.054 -5.238 1.00 0.48 C ATOM 1393 CG GLU A 88 -5.098 -10.550 -5.443 1.00 0.51 C ATOM 1394 CD GLU A 88 -4.571 -10.146 -6.804 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -3.345 -10.209 -7.015 1.00 1.49 O ATOM 1396 OE2 GLU A 88 -5.386 -9.763 -7.667 1.00 1.73 O ATOM 0 H GLU A 88 -4.482 -11.024 -3.070 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.780 -12.387 -3.987 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -4.040 -12.400 -5.277 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -5.601 -12.533 -6.063 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -6.119 -10.187 -5.329 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -4.501 -10.070 -4.668 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.382 -14.235 -2.854 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.038 -15.596 -2.471 1.00 0.63 C ATOM 1405 C PHE A 89 -4.807 -16.022 -1.222 1.00 0.66 C ATOM 1406 O PHE A 89 -4.921 -17.213 -0.935 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.529 -15.716 -2.242 1.00 0.73 C ATOM 1408 CG PHE A 89 -2.047 -17.124 -2.017 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -1.884 -17.992 -3.085 1.00 1.71 C ATOM 1410 CD2 PHE A 89 -1.759 -17.578 -0.740 1.00 2.16 C ATOM 1411 CE1 PHE A 89 -1.442 -19.284 -2.884 1.00 2.38 C ATOM 1412 CE2 PHE A 89 -1.317 -18.870 -0.534 1.00 2.80 C ATOM 1413 CZ PHE A 89 -1.158 -19.724 -1.606 1.00 2.70 C ATOM 0 H PHE A 89 -3.779 -13.517 -2.451 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.322 -16.264 -3.284 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.008 -15.300 -3.104 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.255 -15.108 -1.380 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -2.105 -17.653 -4.086 1.00 1.71 H new ATOM 0 HD2 PHE A 89 -1.881 -16.914 0.103 1.00 2.16 H new ATOM 0 HE1 PHE A 89 -1.318 -19.950 -3.725 1.00 2.38 H new ATOM 0 HE2 PHE A 89 -1.096 -19.212 0.466 1.00 2.80 H new ATOM 0 HZ PHE A 89 -0.812 -20.735 -1.446 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.356 -15.058 -0.491 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.156 -15.368 0.684 1.00 0.68 C ATOM 1425 C PHE A 90 -7.442 -16.045 0.243 1.00 0.68 C ATOM 1426 O PHE A 90 -7.913 -16.996 0.872 1.00 0.80 O ATOM 1427 CB PHE A 90 -6.466 -14.106 1.495 1.00 0.69 C ATOM 1428 CG PHE A 90 -7.222 -14.377 2.765 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -6.596 -14.988 3.839 1.00 1.46 C ATOM 1430 CD2 PHE A 90 -8.559 -14.030 2.882 1.00 1.53 C ATOM 1431 CE1 PHE A 90 -7.288 -15.245 5.006 1.00 1.59 C ATOM 1432 CE2 PHE A 90 -9.256 -14.287 4.046 1.00 1.64 C ATOM 1433 CZ PHE A 90 -8.619 -14.896 5.110 1.00 1.21 C ATOM 0 H PHE A 90 -5.262 -14.062 -0.691 1.00 0.60 H new ATOM 0 HA PHE A 90 -5.589 -16.039 1.329 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -5.531 -13.603 1.739 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.045 -13.420 0.877 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -5.555 -15.266 3.763 1.00 1.46 H new ATOM 0 HD2 PHE A 90 -9.061 -13.553 2.053 1.00 1.53 H new ATOM 0 HE1 PHE A 90 -6.788 -15.719 5.837 1.00 1.59 H new ATOM 0 HE2 PHE A 90 -10.298 -14.012 4.125 1.00 1.64 H new ATOM 0 HZ PHE A 90 -9.162 -15.099 6.021 1.00 1.21 H new ATOM 1443 N GLU A 91 -8.010 -15.546 -0.846 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.154 -16.190 -1.461 1.00 0.72 C ATOM 1445 C GLU A 91 -8.699 -17.363 -2.323 1.00 0.77 C ATOM 1446 O GLU A 91 -9.474 -18.272 -2.622 1.00 0.96 O ATOM 1447 CB GLU A 91 -9.937 -15.176 -2.280 1.00 0.83 C ATOM 1448 CG GLU A 91 -9.105 -14.550 -3.364 1.00 0.92 C ATOM 1449 CD GLU A 91 -9.640 -13.215 -3.816 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -9.265 -12.200 -3.205 1.00 2.25 O ATOM 1451 OE2 GLU A 91 -10.436 -13.176 -4.781 1.00 2.23 O ATOM 0 H GLU A 91 -7.695 -14.699 -1.318 1.00 0.61 H new ATOM 0 HA GLU A 91 -9.809 -16.581 -0.683 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -10.803 -15.665 -2.727 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.316 -14.396 -1.620 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -8.084 -14.424 -3.004 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -9.061 -15.226 -4.218 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.435 -17.326 -2.721 1.00 0.71 N ATOM 1459 CA GLY A 92 -6.846 -18.424 -3.464 1.00 0.82 C ATOM 1460 C GLY A 92 -6.644 -18.056 -4.912 1.00 0.81 C ATOM 1461 O GLY A 92 -5.626 -18.383 -5.523 1.00 0.92 O ATOM 0 H GLY A 92 -6.801 -16.548 -2.541 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -5.889 -18.696 -3.018 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -7.491 -19.300 -3.395 1.00 0.82 H new ATOM 1465 N PHE A 93 -7.621 -17.356 -5.447 1.00 0.76 N ATOM 1466 CA PHE A 93 -7.567 -16.845 -6.801 1.00 0.78 C ATOM 1467 C PHE A 93 -8.367 -15.558 -6.857 1.00 0.69 C ATOM 1468 O PHE A 93 -9.506 -15.528 -6.400 1.00 0.82 O ATOM 1469 CB PHE A 93 -8.134 -17.866 -7.793 1.00 1.00 C ATOM 1470 CG PHE A 93 -8.097 -17.399 -9.222 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -6.924 -17.461 -9.955 1.00 2.59 C ATOM 1472 CD2 PHE A 93 -9.236 -16.893 -9.828 1.00 2.41 C ATOM 1473 CE1 PHE A 93 -6.886 -17.026 -11.265 1.00 3.60 C ATOM 1474 CE2 PHE A 93 -9.204 -16.459 -11.138 1.00 3.46 C ATOM 1475 CZ PHE A 93 -8.028 -16.525 -11.858 1.00 3.91 C ATOM 0 H PHE A 93 -8.482 -17.123 -4.952 1.00 0.76 H new ATOM 0 HA PHE A 93 -6.530 -16.656 -7.079 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -7.570 -18.795 -7.708 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -9.165 -18.093 -7.520 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -6.028 -17.854 -9.497 1.00 2.59 H new ATOM 0 HD2 PHE A 93 -10.159 -16.838 -9.269 1.00 2.41 H new ATOM 0 HE1 PHE A 93 -5.964 -17.078 -11.825 1.00 3.60 H new ATOM 0 HE2 PHE A 93 -10.099 -16.068 -11.599 1.00 3.46 H new ATOM 0 HZ PHE A 93 -8.001 -16.186 -12.883 1.00 3.91 H new ATOM 1485 N PRO A 94 -7.775 -14.480 -7.390 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.422 -13.167 -7.440 1.00 0.61 C ATOM 1487 C PRO A 94 -9.747 -13.187 -8.200 1.00 0.71 C ATOM 1488 O PRO A 94 -9.781 -13.045 -9.421 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.408 -12.283 -8.166 1.00 0.65 C ATOM 1490 CG PRO A 94 -6.461 -13.218 -8.837 1.00 0.84 C ATOM 1491 CD PRO A 94 -6.429 -14.454 -7.986 1.00 0.83 C ATOM 0 HA PRO A 94 -8.675 -12.814 -6.440 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -7.901 -11.638 -8.893 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -6.885 -11.632 -7.466 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -6.792 -13.449 -9.849 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -5.468 -12.775 -8.920 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -6.233 -15.347 -8.579 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -5.651 -14.400 -7.224 1.00 0.83 H new ATOM 1499 N ASP A 95 -10.834 -13.344 -7.463 1.00 0.71 N ATOM 1500 CA ASP A 95 -12.163 -13.422 -8.063 1.00 0.88 C ATOM 1501 C ASP A 95 -12.924 -12.131 -7.856 1.00 0.84 C ATOM 1502 O ASP A 95 -14.071 -11.997 -8.278 1.00 0.96 O ATOM 1503 CB ASP A 95 -12.965 -14.589 -7.490 1.00 1.12 C ATOM 1504 CG ASP A 95 -13.115 -15.730 -8.474 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -13.615 -15.498 -9.596 1.00 2.40 O ATOM 1506 OD2 ASP A 95 -12.740 -16.872 -8.128 1.00 2.16 O ATOM 0 H ASP A 95 -10.826 -13.420 -6.446 1.00 0.71 H new ATOM 0 HA ASP A 95 -12.026 -13.587 -9.132 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.474 -14.954 -6.588 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -13.953 -14.236 -7.195 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.275 -11.178 -7.211 1.00 0.81 N ATOM 1512 CA LYS A 96 -12.864 -9.866 -7.007 1.00 0.86 C ATOM 1513 C LYS A 96 -12.640 -9.047 -8.263 1.00 0.84 C ATOM 1514 O LYS A 96 -13.284 -8.027 -8.501 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.200 -9.156 -5.832 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.767 -10.072 -4.699 1.00 0.94 C ATOM 1517 CD LYS A 96 -10.432 -9.612 -4.146 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.306 -9.980 -5.100 1.00 0.84 C ATOM 1519 NZ LYS A 96 -8.209 -8.991 -5.051 1.00 1.86 N ATOM 0 H LYS A 96 -11.340 -11.288 -6.819 1.00 0.81 H new ATOM 0 HA LYS A 96 -13.927 -9.976 -6.794 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -11.327 -8.616 -6.198 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -12.892 -8.413 -5.436 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -12.518 -10.069 -3.909 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -11.688 -11.098 -5.059 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -10.448 -8.533 -3.991 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -10.257 -10.071 -3.173 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -8.919 -10.967 -4.845 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -9.695 -10.043 -6.116 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -7.443 -9.290 -5.688 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -8.566 -8.061 -5.351 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -7.845 -8.925 -4.079 1.00 1.86 H new ATOM 1533 N GLN A 97 -11.709 -9.537 -9.063 1.00 0.85 N ATOM 1534 CA GLN A 97 -11.249 -8.845 -10.250 1.00 1.00 C ATOM 1535 C GLN A 97 -12.067 -9.270 -11.455 1.00 1.03 C ATOM 1536 O GLN A 97 -12.751 -10.293 -11.419 1.00 1.07 O ATOM 1537 CB GLN A 97 -9.789 -9.212 -10.521 1.00 1.19 C ATOM 1538 CG GLN A 97 -8.968 -9.475 -9.274 1.00 1.19 C ATOM 1539 CD GLN A 97 -8.617 -8.227 -8.504 1.00 1.05 C ATOM 1540 OE1 GLN A 97 -9.320 -7.224 -8.551 1.00 1.71 O ATOM 1541 NE2 GLN A 97 -7.518 -8.294 -7.778 1.00 0.97 N ATOM 0 H GLN A 97 -11.249 -10.433 -8.904 1.00 0.85 H new ATOM 0 HA GLN A 97 -11.354 -7.772 -10.086 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -9.761 -10.099 -11.153 1.00 1.19 H new ATOM 0 HB3 GLN A 97 -9.323 -8.404 -11.085 1.00 1.19 H new ATOM 0 HG2 GLN A 97 -9.521 -10.150 -8.621 1.00 1.19 H new ATOM 0 HG3 GLN A 97 -8.048 -9.987 -9.557 1.00 1.19 H new ATOM 0 HE21 GLN A 97 -6.964 -9.150 -7.769 1.00 0.97 H new ATOM 0 HE22 GLN A 97 -7.222 -7.490 -7.225 1.00 0.97 H new ATOM 1550 N PRO A 98 -11.999 -8.495 -12.545 1.00 1.26 N ATOM 1551 CA PRO A 98 -12.516 -8.925 -13.842 1.00 1.46 C ATOM 1552 C PRO A 98 -11.635 -10.006 -14.460 1.00 1.51 C ATOM 1553 O PRO A 98 -11.920 -10.522 -15.541 1.00 1.97 O ATOM 1554 CB PRO A 98 -12.483 -7.654 -14.691 1.00 1.83 C ATOM 1555 CG PRO A 98 -11.454 -6.786 -14.053 1.00 1.83 C ATOM 1556 CD PRO A 98 -11.461 -7.122 -12.588 1.00 1.53 C ATOM 0 HA PRO A 98 -13.512 -9.361 -13.766 1.00 1.46 H new ATOM 0 HB2 PRO A 98 -12.223 -7.878 -15.726 1.00 1.83 H new ATOM 0 HB3 PRO A 98 -13.457 -7.165 -14.706 1.00 1.83 H new ATOM 0 HG2 PRO A 98 -10.471 -6.966 -14.488 1.00 1.83 H new ATOM 0 HG3 PRO A 98 -11.684 -5.732 -14.210 1.00 1.83 H new ATOM 0 HD2 PRO A 98 -10.459 -7.071 -12.161 1.00 1.53 H new ATOM 0 HD3 PRO A 98 -12.084 -6.430 -12.022 1.00 1.53 H new ATOM 1564 N ARG A 99 -10.554 -10.325 -13.739 1.00 1.37 N ATOM 1565 CA ARG A 99 -9.633 -11.388 -14.103 1.00 1.57 C ATOM 1566 C ARG A 99 -9.058 -11.162 -15.494 1.00 1.88 C ATOM 1567 O ARG A 99 -8.813 -12.100 -16.249 1.00 2.42 O ATOM 1568 CB ARG A 99 -10.360 -12.715 -13.991 1.00 2.01 C ATOM 1569 CG ARG A 99 -10.592 -13.144 -12.550 1.00 1.97 C ATOM 1570 CD ARG A 99 -11.779 -14.085 -12.434 1.00 2.58 C ATOM 1571 NE ARG A 99 -11.627 -15.264 -13.287 1.00 3.49 N ATOM 1572 CZ ARG A 99 -12.193 -16.448 -13.050 1.00 4.43 C ATOM 1573 NH1 ARG A 99 -12.913 -16.650 -11.951 1.00 4.69 N ATOM 1574 NH2 ARG A 99 -12.014 -17.441 -13.912 1.00 5.41 N ATOM 0 H ARG A 99 -10.298 -9.842 -12.878 1.00 1.37 H new ATOM 0 HA ARG A 99 -8.783 -11.394 -13.421 1.00 1.57 H new ATOM 0 HB2 ARG A 99 -11.320 -12.642 -14.502 1.00 2.01 H new ATOM 0 HB3 ARG A 99 -9.783 -13.484 -14.505 1.00 2.01 H new ATOM 0 HG2 ARG A 99 -9.698 -13.636 -12.167 1.00 1.97 H new ATOM 0 HG3 ARG A 99 -10.762 -12.264 -11.930 1.00 1.97 H new ATOM 0 HD2 ARG A 99 -11.892 -14.400 -11.397 1.00 2.58 H new ATOM 0 HD3 ARG A 99 -12.691 -13.554 -12.708 1.00 2.58 H new ATOM 0 HE ARG A 99 -11.047 -15.174 -14.122 1.00 3.49 H new ATOM 0 HH11 ARG A 99 -13.038 -15.895 -11.277 1.00 4.69 H new ATOM 0 HH12 ARG A 99 -13.341 -17.560 -11.782 1.00 4.69 H new ATOM 0 HH21 ARG A 99 -11.447 -17.295 -14.747 1.00 5.41 H new ATOM 0 HH22 ARG A 99 -12.443 -18.350 -13.739 1.00 5.41 H new ATOM 1588 N LYS A 100 -8.842 -9.894 -15.798 1.00 2.17 N ATOM 1589 CA LYS A 100 -8.285 -9.465 -17.068 1.00 2.96 C ATOM 1590 C LYS A 100 -7.817 -8.027 -16.925 1.00 3.80 C ATOM 1591 O LYS A 100 -6.672 -7.701 -17.230 1.00 4.60 O ATOM 1592 CB LYS A 100 -9.329 -9.572 -18.185 1.00 3.58 C ATOM 1593 CG LYS A 100 -8.824 -9.110 -19.542 1.00 4.14 C ATOM 1594 CD LYS A 100 -9.925 -9.147 -20.587 1.00 5.01 C ATOM 1595 CE LYS A 100 -9.439 -8.625 -21.929 1.00 5.79 C ATOM 1596 NZ LYS A 100 -10.529 -8.597 -22.938 1.00 6.34 N ATOM 0 H LYS A 100 -9.051 -9.125 -15.162 1.00 2.17 H new ATOM 0 HA LYS A 100 -7.447 -10.109 -17.334 1.00 2.96 H new ATOM 0 HB2 LYS A 100 -9.659 -10.608 -18.264 1.00 3.58 H new ATOM 0 HB3 LYS A 100 -10.202 -8.980 -17.912 1.00 3.58 H new ATOM 0 HG2 LYS A 100 -8.433 -8.096 -19.460 1.00 4.14 H new ATOM 0 HG3 LYS A 100 -7.998 -9.746 -19.860 1.00 4.14 H new ATOM 0 HD2 LYS A 100 -10.284 -10.170 -20.702 1.00 5.01 H new ATOM 0 HD3 LYS A 100 -10.770 -8.548 -20.247 1.00 5.01 H new ATOM 0 HE2 LYS A 100 -9.034 -7.621 -21.803 1.00 5.79 H new ATOM 0 HE3 LYS A 100 -8.625 -9.254 -22.290 1.00 5.79 H new ATOM 0 HZ1 LYS A 100 -10.158 -8.235 -23.840 1.00 6.34 H new ATOM 0 HZ2 LYS A 100 -10.898 -9.559 -23.077 1.00 6.34 H new ATOM 0 HZ3 LYS A 100 -11.295 -7.977 -22.605 1.00 6.34 H new ATOM 1610 N LYS A 101 -8.729 -7.185 -16.434 1.00 3.82 N ATOM 1611 CA LYS A 101 -8.445 -5.784 -16.150 1.00 4.82 C ATOM 1612 C LYS A 101 -7.990 -5.053 -17.411 1.00 5.79 C ATOM 1613 O LYS A 101 -6.771 -4.832 -17.571 1.00 6.45 O ATOM 1614 CB LYS A 101 -7.386 -5.656 -15.045 1.00 5.01 C ATOM 1615 CG LYS A 101 -7.854 -6.133 -13.677 1.00 4.42 C ATOM 1616 CD LYS A 101 -6.702 -6.165 -12.678 1.00 5.04 C ATOM 1617 CE LYS A 101 -7.165 -6.528 -11.274 1.00 4.78 C ATOM 1618 NZ LYS A 101 -8.014 -5.471 -10.660 1.00 5.64 N ATOM 1619 OXT LYS A 101 -8.855 -4.715 -18.245 1.00 6.10 O ATOM 0 H LYS A 101 -9.688 -7.461 -16.223 1.00 3.82 H new ATOM 0 HA LYS A 101 -9.367 -5.320 -15.800 1.00 4.82 H new ATOM 0 HB2 LYS A 101 -6.504 -6.227 -15.335 1.00 5.01 H new ATOM 0 HB3 LYS A 101 -7.080 -4.613 -14.969 1.00 5.01 H new ATOM 0 HG2 LYS A 101 -8.640 -5.473 -13.309 1.00 4.42 H new ATOM 0 HG3 LYS A 101 -8.289 -7.128 -13.766 1.00 4.42 H new ATOM 0 HD2 LYS A 101 -5.956 -6.887 -13.010 1.00 5.04 H new ATOM 0 HD3 LYS A 101 -6.215 -5.190 -12.657 1.00 5.04 H new ATOM 0 HE2 LYS A 101 -7.725 -7.463 -11.310 1.00 4.78 H new ATOM 0 HE3 LYS A 101 -6.294 -6.702 -10.642 1.00 4.78 H new ATOM 0 HZ1 LYS A 101 -7.608 -5.188 -9.745 1.00 5.64 H new ATOM 0 HZ2 LYS A 101 -8.053 -4.646 -11.292 1.00 5.64 H new ATOM 0 HZ3 LYS A 101 -8.975 -5.840 -10.513 1.00 5.64 H new TER 1633 LYS A 101 ATOM 1634 N MET B 1 13.271 -0.618 12.146 1.00 3.81 N ATOM 1635 CA MET B 1 12.574 -1.839 12.589 1.00 3.21 C ATOM 1636 C MET B 1 11.070 -1.602 12.645 1.00 2.41 C ATOM 1637 O MET B 1 10.526 -1.168 13.663 1.00 2.60 O ATOM 1638 CB MET B 1 13.099 -2.319 13.954 1.00 3.84 C ATOM 1639 CG MET B 1 12.997 -1.289 15.073 1.00 4.40 C ATOM 1640 SD MET B 1 13.488 -1.951 16.680 1.00 5.09 S ATOM 1641 CE MET B 1 13.136 -0.547 17.737 1.00 5.69 C ATOM 0 H1 MET B 1 14.260 -0.846 11.917 1.00 3.81 H new ATOM 0 H2 MET B 1 12.800 -0.236 11.301 1.00 3.81 H new ATOM 0 H3 MET B 1 13.246 0.091 12.906 1.00 3.81 H new ATOM 0 HA MET B 1 12.776 -2.624 11.861 1.00 3.21 H new ATOM 0 HB2 MET B 1 12.545 -3.211 14.248 1.00 3.84 H new ATOM 0 HB3 MET B 1 14.143 -2.614 13.844 1.00 3.84 H new ATOM 0 HG2 MET B 1 13.626 -0.432 14.831 1.00 4.40 H new ATOM 0 HG3 MET B 1 11.971 -0.925 15.133 1.00 4.40 H new ATOM 0 HE1 MET B 1 13.387 -0.796 18.768 1.00 5.69 H new ATOM 0 HE2 MET B 1 13.730 0.308 17.416 1.00 5.69 H new ATOM 0 HE3 MET B 1 12.077 -0.298 17.671 1.00 5.69 H new ATOM 1653 N ALA B 2 10.397 -1.843 11.532 1.00 1.66 N ATOM 1654 CA ALA B 2 8.955 -1.867 11.537 1.00 0.98 C ATOM 1655 C ALA B 2 8.505 -3.198 12.097 1.00 0.81 C ATOM 1656 O ALA B 2 8.269 -4.155 11.368 1.00 0.91 O ATOM 1657 CB ALA B 2 8.350 -1.625 10.170 1.00 0.82 C ATOM 0 H ALA B 2 10.827 -2.023 10.624 1.00 1.66 H new ATOM 0 HA ALA B 2 8.602 -1.047 12.162 1.00 0.98 H new ATOM 0 HB1 ALA B 2 7.263 -1.656 10.243 1.00 0.82 H new ATOM 0 HB2 ALA B 2 8.662 -0.647 9.802 1.00 0.82 H new ATOM 0 HB3 ALA B 2 8.690 -2.397 9.480 1.00 0.82 H new ATOM 1663 N SER B 3 8.571 -3.260 13.409 1.00 0.80 N ATOM 1664 CA SER B 3 7.923 -4.257 14.261 1.00 0.78 C ATOM 1665 C SER B 3 6.483 -4.589 13.765 1.00 0.65 C ATOM 1666 O SER B 3 6.192 -4.413 12.590 1.00 0.83 O ATOM 1667 CB SER B 3 7.947 -3.678 15.676 1.00 0.97 C ATOM 1668 OG SER B 3 9.117 -2.899 15.869 1.00 1.18 O ATOM 0 H SER B 3 9.107 -2.581 13.949 1.00 0.80 H new ATOM 0 HA SER B 3 8.447 -5.212 14.233 1.00 0.78 H new ATOM 0 HB2 SER B 3 7.062 -3.064 15.840 1.00 0.97 H new ATOM 0 HB3 SER B 3 7.915 -4.486 16.407 1.00 0.97 H new ATOM 0 HG SER B 3 9.120 -2.533 16.778 1.00 1.18 H new ATOM 1674 N PRO B 4 5.586 -5.191 14.583 1.00 0.67 N ATOM 1675 CA PRO B 4 4.173 -5.396 14.217 1.00 0.62 C ATOM 1676 C PRO B 4 3.525 -4.334 13.292 1.00 0.47 C ATOM 1677 O PRO B 4 2.456 -4.592 12.764 1.00 0.50 O ATOM 1678 CB PRO B 4 3.501 -5.403 15.579 1.00 0.79 C ATOM 1679 CG PRO B 4 4.468 -6.141 16.435 1.00 0.97 C ATOM 1680 CD PRO B 4 5.843 -5.779 15.923 1.00 0.88 C ATOM 0 HA PRO B 4 4.065 -6.297 13.614 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.328 -4.392 15.947 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.532 -5.900 15.547 1.00 0.79 H new ATOM 0 HG2 PRO B 4 4.355 -5.859 17.482 1.00 0.97 H new ATOM 0 HG3 PRO B 4 4.300 -7.216 16.374 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.339 -5.067 16.582 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.488 -6.655 15.857 1.00 0.88 H new ATOM 1688 N LEU B 5 4.148 -3.159 13.096 1.00 0.36 N ATOM 1689 CA LEU B 5 3.568 -2.102 12.262 1.00 0.32 C ATOM 1690 C LEU B 5 3.408 -2.541 10.816 1.00 0.30 C ATOM 1691 O LEU B 5 2.327 -2.429 10.253 1.00 0.32 O ATOM 1692 CB LEU B 5 4.425 -0.840 12.294 1.00 0.32 C ATOM 1693 CG LEU B 5 4.062 0.218 11.245 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.829 1.558 11.916 1.00 0.41 C ATOM 1695 CD2 LEU B 5 5.154 0.354 10.193 1.00 0.27 C ATOM 0 H LEU B 5 5.052 -2.921 13.505 1.00 0.36 H new ATOM 0 HA LEU B 5 2.584 -1.891 12.680 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.346 -0.390 13.284 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.468 -1.124 12.156 1.00 0.32 H new ATOM 0 HG LEU B 5 3.148 -0.105 10.747 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.572 2.302 11.162 1.00 0.41 H new ATOM 0 HD12 LEU B 5 3.012 1.469 12.632 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.736 1.867 12.436 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.865 1.112 9.465 1.00 0.27 H new ATOM 0 HD22 LEU B 5 6.087 0.649 10.673 1.00 0.27 H new ATOM 0 HD23 LEU B 5 5.293 -0.601 9.687 1.00 0.27 H new ATOM 1707 N GLU B 6 4.482 -3.022 10.212 1.00 0.35 N ATOM 1708 CA GLU B 6 4.424 -3.460 8.828 1.00 0.42 C ATOM 1709 C GLU B 6 3.416 -4.596 8.682 1.00 0.34 C ATOM 1710 O GLU B 6 2.563 -4.622 7.784 1.00 0.32 O ATOM 1711 CB GLU B 6 5.793 -3.906 8.356 1.00 0.62 C ATOM 1712 CG GLU B 6 6.527 -2.860 7.531 1.00 1.80 C ATOM 1713 CD GLU B 6 5.985 -2.742 6.121 1.00 2.84 C ATOM 1714 OE1 GLU B 6 4.978 -3.414 5.813 1.00 3.32 O ATOM 1715 OE2 GLU B 6 6.574 -1.990 5.319 1.00 3.61 O ATOM 0 H GLU B 6 5.396 -3.119 10.653 1.00 0.35 H new ATOM 0 HA GLU B 6 4.103 -2.623 8.209 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.401 -4.163 9.224 1.00 0.62 H new ATOM 0 HB3 GLU B 6 5.685 -4.814 7.762 1.00 0.62 H new ATOM 0 HG2 GLU B 6 6.451 -1.893 8.027 1.00 1.80 H new ATOM 0 HG3 GLU B 6 7.586 -3.114 7.489 1.00 1.80 H new ATOM 1722 N LYS B 7 3.493 -5.523 9.617 1.00 0.35 N ATOM 1723 CA LYS B 7 2.556 -6.624 9.678 1.00 0.36 C ATOM 1724 C LYS B 7 1.155 -6.095 10.004 1.00 0.32 C ATOM 1725 O LYS B 7 0.156 -6.765 9.769 1.00 0.35 O ATOM 1726 CB LYS B 7 3.031 -7.668 10.696 1.00 0.44 C ATOM 1727 CG LYS B 7 4.483 -8.133 10.487 1.00 0.64 C ATOM 1728 CD LYS B 7 4.681 -9.055 9.269 1.00 0.80 C ATOM 1729 CE LYS B 7 4.440 -8.350 7.938 1.00 1.78 C ATOM 1730 NZ LYS B 7 3.147 -8.751 7.317 1.00 2.82 N ATOM 0 H LYS B 7 4.202 -5.533 10.350 1.00 0.35 H new ATOM 0 HA LYS B 7 2.506 -7.118 8.708 1.00 0.36 H new ATOM 0 HB2 LYS B 7 2.935 -7.252 11.699 1.00 0.44 H new ATOM 0 HB3 LYS B 7 2.372 -8.535 10.646 1.00 0.44 H new ATOM 0 HG2 LYS B 7 5.121 -7.256 10.373 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.818 -8.656 11.383 1.00 0.64 H new ATOM 0 HD2 LYS B 7 5.696 -9.453 9.284 1.00 0.80 H new ATOM 0 HD3 LYS B 7 4.004 -9.905 9.351 1.00 0.80 H new ATOM 0 HE2 LYS B 7 4.448 -7.271 8.093 1.00 1.78 H new ATOM 0 HE3 LYS B 7 5.257 -8.580 7.254 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 2.741 -7.941 6.807 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 3.310 -9.533 6.651 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 2.487 -9.060 8.059 1.00 2.82 H new ATOM 1744 N ALA B 8 1.102 -4.882 10.551 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.162 -4.218 10.856 1.00 0.29 C ATOM 1746 C ALA B 8 -0.781 -3.595 9.614 1.00 0.27 C ATOM 1747 O ALA B 8 -1.993 -3.421 9.559 1.00 0.28 O ATOM 1748 CB ALA B 8 0.001 -3.160 11.932 1.00 0.32 C ATOM 0 H ALA B 8 1.928 -4.336 10.794 1.00 0.29 H new ATOM 0 HA ALA B 8 -0.833 -4.991 11.231 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -0.963 -2.690 12.129 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.372 -3.624 12.846 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.711 -2.405 11.595 1.00 0.32 H new ATOM 1754 N LEU B 9 0.031 -3.229 8.620 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.550 -2.851 7.329 1.00 0.25 C ATOM 1756 C LEU B 9 -1.261 -4.073 6.774 1.00 0.25 C ATOM 1757 O LEU B 9 -2.306 -3.981 6.129 1.00 0.26 O ATOM 1758 CB LEU B 9 0.472 -2.364 6.291 1.00 0.26 C ATOM 1759 CG LEU B 9 1.817 -1.878 6.813 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.690 -1.440 5.653 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.670 -0.741 7.810 1.00 0.27 C ATOM 0 H LEU B 9 1.049 -3.186 8.676 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.220 -2.010 7.510 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.656 -3.178 5.590 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.017 -1.552 5.724 1.00 0.26 H new ATOM 0 HG LEU B 9 2.286 -2.711 7.337 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.651 -1.093 6.032 1.00 0.33 H new ATOM 0 HD12 LEU B 9 2.848 -2.282 4.979 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.199 -0.630 5.114 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.656 -0.429 8.154 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.169 0.100 7.331 1.00 0.27 H new ATOM 0 HD23 LEU B 9 1.079 -1.078 8.662 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.675 -5.230 7.050 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.319 -6.505 6.725 1.00 0.28 C ATOM 1775 C ASP B 10 -2.580 -6.683 7.579 1.00 0.27 C ATOM 1776 O ASP B 10 -3.581 -7.254 7.140 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.356 -7.673 6.948 1.00 0.33 C ATOM 1778 CG ASP B 10 -0.928 -9.003 6.494 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.693 -9.620 7.263 1.00 1.18 O ATOM 1780 OD2 ASP B 10 -0.593 -9.450 5.375 1.00 1.15 O ATOM 0 H ASP B 10 0.239 -5.317 7.495 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.600 -6.495 5.672 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.572 -7.480 6.411 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.105 -7.733 8.007 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.536 -6.169 8.803 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.709 -6.148 9.658 1.00 0.27 C ATOM 1787 C VAL B 11 -4.770 -5.220 9.067 1.00 0.27 C ATOM 1788 O VAL B 11 -5.961 -5.397 9.304 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.351 -5.708 11.096 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.597 -5.516 11.942 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.431 -6.727 11.748 1.00 0.31 C ATOM 0 H VAL B 11 -1.700 -5.762 9.222 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.108 -7.161 9.710 1.00 0.27 H new ATOM 0 HB VAL B 11 -2.834 -4.750 11.031 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.310 -5.207 12.947 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.227 -4.749 11.492 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.149 -6.454 11.995 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.188 -6.403 12.760 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -2.930 -7.695 11.787 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.514 -6.815 11.165 1.00 0.31 H new ATOM 1801 N MET B 12 -4.337 -4.240 8.279 1.00 0.26 N ATOM 1802 CA MET B 12 -5.276 -3.378 7.571 1.00 0.29 C ATOM 1803 C MET B 12 -6.002 -4.179 6.498 1.00 0.29 C ATOM 1804 O MET B 12 -7.167 -3.927 6.205 1.00 0.33 O ATOM 1805 CB MET B 12 -4.589 -2.165 6.942 1.00 0.32 C ATOM 1806 CG MET B 12 -5.590 -1.190 6.350 1.00 0.98 C ATOM 1807 SD MET B 12 -6.858 -0.742 7.545 1.00 2.23 S ATOM 1808 CE MET B 12 -8.168 -0.178 6.469 1.00 2.75 C ATOM 0 H MET B 12 -3.353 -4.025 8.116 1.00 0.26 H new ATOM 0 HA MET B 12 -5.992 -3.002 8.302 1.00 0.29 H new ATOM 0 HB2 MET B 12 -3.989 -1.656 7.697 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.904 -2.500 6.163 1.00 0.32 H new ATOM 0 HG2 MET B 12 -5.071 -0.292 6.015 1.00 0.98 H new ATOM 0 HG3 MET B 12 -6.057 -1.635 5.471 1.00 0.98 H new ATOM 0 HE1 MET B 12 -8.282 0.901 6.569 1.00 2.75 H new ATOM 0 HE2 MET B 12 -7.921 -0.422 5.436 1.00 2.75 H new ATOM 0 HE3 MET B 12 -9.102 -0.668 6.744 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.303 -5.148 5.917 1.00 0.29 N ATOM 1819 CA VAL B 13 -5.936 -6.119 5.029 1.00 0.31 C ATOM 1820 C VAL B 13 -7.124 -6.769 5.754 1.00 0.27 C ATOM 1821 O VAL B 13 -8.233 -6.878 5.218 1.00 0.27 O ATOM 1822 CB VAL B 13 -4.921 -7.204 4.578 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.592 -8.304 3.774 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.793 -6.581 3.767 1.00 0.42 C ATOM 0 H VAL B 13 -4.300 -5.283 6.044 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.291 -5.603 4.137 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.506 -7.653 5.481 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -4.848 -9.043 3.477 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.358 -8.784 4.383 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.052 -7.875 2.884 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.093 -7.358 3.461 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.206 -6.096 2.883 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.272 -5.843 4.376 1.00 0.42 H new ATOM 1834 N SER B 14 -6.898 -7.160 7.000 1.00 0.26 N ATOM 1835 CA SER B 14 -7.962 -7.725 7.820 1.00 0.26 C ATOM 1836 C SER B 14 -9.015 -6.673 8.167 1.00 0.25 C ATOM 1837 O SER B 14 -10.216 -6.953 8.136 1.00 0.25 O ATOM 1838 CB SER B 14 -7.373 -8.343 9.088 1.00 0.31 C ATOM 1839 OG SER B 14 -6.329 -9.245 8.765 1.00 1.18 O ATOM 0 H SER B 14 -5.992 -7.097 7.464 1.00 0.26 H new ATOM 0 HA SER B 14 -8.458 -8.507 7.245 1.00 0.26 H new ATOM 0 HB2 SER B 14 -6.993 -7.556 9.740 1.00 0.31 H new ATOM 0 HB3 SER B 14 -8.154 -8.865 9.641 1.00 0.31 H new ATOM 0 HG SER B 14 -5.963 -9.630 9.589 1.00 1.18 H new ATOM 1845 N THR B 15 -8.556 -5.467 8.475 1.00 0.28 N ATOM 1846 CA THR B 15 -9.436 -4.334 8.716 1.00 0.32 C ATOM 1847 C THR B 15 -10.418 -4.169 7.544 1.00 0.28 C ATOM 1848 O THR B 15 -11.613 -3.891 7.730 1.00 0.29 O ATOM 1849 CB THR B 15 -8.614 -3.054 8.896 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.623 -3.256 9.921 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.511 -1.904 9.292 1.00 0.93 C ATOM 0 H THR B 15 -7.564 -5.248 8.564 1.00 0.28 H new ATOM 0 HA THR B 15 -10.003 -4.519 9.629 1.00 0.32 H new ATOM 0 HB THR B 15 -8.126 -2.817 7.951 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.023 -3.985 9.657 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.912 -1.002 9.416 1.00 0.93 H new ATOM 0 HG22 THR B 15 -10.257 -1.740 8.515 1.00 0.93 H new ATOM 0 HG23 THR B 15 -10.011 -2.140 10.231 1.00 0.93 H new ATOM 1859 N PHE B 16 -9.900 -4.394 6.338 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.690 -4.293 5.124 1.00 0.27 C ATOM 1861 C PHE B 16 -11.854 -5.267 5.127 1.00 0.29 C ATOM 1862 O PHE B 16 -13.004 -4.843 5.074 1.00 0.37 O ATOM 1863 CB PHE B 16 -9.815 -4.511 3.885 1.00 0.34 C ATOM 1864 CG PHE B 16 -10.580 -4.476 2.590 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -10.780 -3.285 1.923 1.00 1.65 C ATOM 1866 CD2 PHE B 16 -11.092 -5.637 2.039 1.00 1.73 C ATOM 1867 CE1 PHE B 16 -11.476 -3.252 0.730 1.00 2.27 C ATOM 1868 CE2 PHE B 16 -11.789 -5.609 0.848 1.00 2.34 C ATOM 1869 CZ PHE B 16 -11.981 -4.414 0.192 1.00 2.36 C ATOM 0 H PHE B 16 -8.925 -4.650 6.181 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.101 -3.284 5.089 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.040 -3.745 3.859 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.310 -5.473 3.972 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -10.388 -2.368 2.338 1.00 1.65 H new ATOM 0 HD2 PHE B 16 -10.944 -6.578 2.548 1.00 1.73 H new ATOM 0 HE1 PHE B 16 -11.624 -2.312 0.218 1.00 2.27 H new ATOM 0 HE2 PHE B 16 -12.183 -6.524 0.431 1.00 2.34 H new ATOM 0 HZ PHE B 16 -12.525 -4.388 -0.740 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.571 -6.567 5.215 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.643 -7.564 5.123 1.00 0.40 C ATOM 1881 C HIS B 17 -13.627 -7.435 6.283 1.00 0.36 C ATOM 1882 O HIS B 17 -14.718 -8.001 6.246 1.00 0.42 O ATOM 1883 CB HIS B 17 -12.103 -8.998 5.021 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.409 -9.526 6.243 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -12.063 -9.850 7.414 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -10.106 -9.828 6.452 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -11.193 -10.321 8.286 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -9.996 -10.321 7.728 1.00 2.20 N ATOM 0 H HIS B 17 -10.635 -6.950 5.346 1.00 0.31 H new ATOM 0 HA HIS B 17 -13.179 -7.356 4.197 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -12.934 -9.662 4.783 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -11.407 -9.045 4.183 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -9.300 -9.704 5.744 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -11.421 -10.651 9.289 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -9.133 -10.635 8.172 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.233 -6.691 7.306 1.00 0.34 N ATOM 1898 CA LYS B 18 -14.130 -6.365 8.399 1.00 0.39 C ATOM 1899 C LYS B 18 -15.256 -5.467 7.899 1.00 0.37 C ATOM 1900 O LYS B 18 -16.433 -5.738 8.138 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.360 -5.672 9.523 1.00 0.43 C ATOM 1902 CG LYS B 18 -14.243 -5.026 10.583 1.00 0.54 C ATOM 1903 CD LYS B 18 -13.428 -4.609 11.799 1.00 0.73 C ATOM 1904 CE LYS B 18 -12.252 -3.721 11.420 1.00 0.79 C ATOM 1905 NZ LYS B 18 -11.409 -3.386 12.597 1.00 1.28 N ATOM 0 H LYS B 18 -12.295 -6.302 7.400 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.562 -7.287 8.789 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.709 -6.401 10.005 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.716 -4.908 9.089 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.744 -4.154 10.161 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -15.022 -5.725 10.887 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -14.071 -4.079 12.502 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -13.061 -5.498 12.311 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.643 -4.225 10.669 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -12.622 -2.802 10.965 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -10.619 -2.780 12.297 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -11.983 -2.882 13.303 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -11.034 -4.261 13.016 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.890 -4.407 7.190 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.879 -3.464 6.680 1.00 0.29 C ATOM 1921 C TYR B 19 -16.450 -3.885 5.334 1.00 0.33 C ATOM 1922 O TYR B 19 -17.526 -3.440 4.971 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.295 -2.057 6.611 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.354 -1.335 7.936 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -14.489 -1.670 8.968 1.00 1.23 C ATOM 1926 CD2 TYR B 19 -16.291 -0.336 8.166 1.00 1.28 C ATOM 1927 CE1 TYR B 19 -14.556 -1.030 10.188 1.00 1.26 C ATOM 1928 CE2 TYR B 19 -16.360 0.313 9.384 1.00 1.35 C ATOM 1929 CZ TYR B 19 -15.491 -0.040 10.393 1.00 0.62 C ATOM 1930 OH TYR B 19 -15.559 0.593 11.617 1.00 0.79 O ATOM 0 H TYR B 19 -13.924 -4.179 6.956 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.711 -3.463 7.384 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.258 -2.114 6.279 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -15.838 -1.479 5.863 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.752 -2.444 8.814 1.00 1.23 H new ATOM 0 HD2 TYR B 19 -16.978 -0.062 7.379 1.00 1.28 H new ATOM 0 HE1 TYR B 19 -13.876 -1.305 10.981 1.00 1.26 H new ATOM 0 HE2 TYR B 19 -17.091 1.092 9.544 1.00 1.35 H new ATOM 0 HH TYR B 19 -16.487 0.595 11.933 1.00 0.79 H new ATOM 1940 N SER B 20 -15.728 -4.723 4.602 1.00 0.29 N ATOM 1941 CA SER B 20 -16.227 -5.280 3.347 1.00 0.32 C ATOM 1942 C SER B 20 -17.180 -6.438 3.596 1.00 0.40 C ATOM 1943 O SER B 20 -17.960 -6.814 2.728 1.00 0.60 O ATOM 1944 CB SER B 20 -15.058 -5.776 2.510 1.00 0.35 C ATOM 1945 OG SER B 20 -14.100 -4.757 2.356 1.00 0.86 O ATOM 0 H SER B 20 -14.790 -5.034 4.855 1.00 0.29 H new ATOM 0 HA SER B 20 -16.766 -4.492 2.820 1.00 0.32 H new ATOM 0 HB2 SER B 20 -14.602 -6.644 2.987 1.00 0.35 H new ATOM 0 HB3 SER B 20 -15.414 -6.101 1.532 1.00 0.35 H new ATOM 0 HG SER B 20 -13.582 -4.916 1.539 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.095 -7.016 4.779 1.00 0.37 N ATOM 1952 CA GLY B 21 -17.915 -8.160 5.094 1.00 0.43 C ATOM 1953 C GLY B 21 -19.150 -7.791 5.868 1.00 0.41 C ATOM 1954 O GLY B 21 -19.612 -8.560 6.709 1.00 0.46 O ATOM 0 H GLY B 21 -16.472 -6.713 5.528 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.206 -8.659 4.170 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.329 -8.875 5.672 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.681 -6.615 5.605 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.861 -6.156 6.305 1.00 0.46 C ATOM 1960 C LYS B 22 -22.091 -6.257 5.415 1.00 0.52 C ATOM 1961 O LYS B 22 -23.143 -6.747 5.833 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.665 -4.716 6.754 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.373 -4.482 7.512 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.371 -3.118 8.171 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.638 -2.009 7.167 1.00 0.49 C ATOM 1966 NZ LYS B 22 -19.978 -0.743 7.852 1.00 1.08 N ATOM 0 H LYS B 22 -19.315 -5.961 4.913 1.00 0.41 H new ATOM 0 HA LYS B 22 -21.015 -6.791 7.177 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.685 -4.066 5.879 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.504 -4.425 7.386 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.246 -5.256 8.269 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.527 -4.562 6.829 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -20.129 -3.091 8.954 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.408 -2.948 8.654 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -18.759 -1.862 6.540 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -20.455 -2.300 6.507 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -20.875 -0.375 7.475 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -20.076 -0.916 8.873 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -19.222 -0.047 7.690 1.00 1.08 H new ATOM 1980 N GLU B 23 -21.947 -5.799 4.184 1.00 0.47 N ATOM 1981 CA GLU B 23 -23.046 -5.767 3.239 1.00 0.54 C ATOM 1982 C GLU B 23 -22.604 -6.386 1.915 1.00 0.58 C ATOM 1983 O GLU B 23 -21.590 -5.986 1.347 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.469 -4.307 3.025 1.00 0.67 C ATOM 1985 CG GLU B 23 -24.948 -4.099 2.728 1.00 1.15 C ATOM 1986 CD GLU B 23 -25.415 -4.779 1.458 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -25.213 -4.210 0.365 1.00 1.96 O ATOM 1988 OE2 GLU B 23 -25.992 -5.886 1.546 1.00 2.38 O ATOM 0 H GLU B 23 -21.067 -5.440 3.813 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.889 -6.339 3.626 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -23.210 -3.736 3.916 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -22.887 -3.894 2.201 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -25.534 -4.474 3.567 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -25.147 -3.030 2.652 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.370 -7.352 1.429 1.00 0.72 N ATOM 1996 CA GLY B 24 -23.104 -7.935 0.128 1.00 0.85 C ATOM 1997 C GLY B 24 -21.948 -8.920 0.121 1.00 0.79 C ATOM 1998 O GLY B 24 -22.125 -10.103 0.412 1.00 0.92 O ATOM 0 H GLY B 24 -24.176 -7.745 1.915 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -24.003 -8.442 -0.223 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -22.892 -7.135 -0.581 1.00 0.85 H new ATOM 2002 N ASP B 25 -20.765 -8.416 -0.197 1.00 0.71 N ATOM 2003 CA ASP B 25 -19.587 -9.253 -0.423 1.00 0.70 C ATOM 2004 C ASP B 25 -18.770 -9.380 0.868 1.00 0.73 C ATOM 2005 O ASP B 25 -19.283 -9.152 1.963 1.00 1.34 O ATOM 2006 CB ASP B 25 -18.734 -8.619 -1.537 1.00 0.72 C ATOM 2007 CG ASP B 25 -17.893 -9.618 -2.311 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -16.902 -10.135 -1.757 1.00 1.75 O ATOM 2009 OD2 ASP B 25 -18.209 -9.878 -3.488 1.00 1.64 O ATOM 0 H ASP B 25 -20.590 -7.417 -0.307 1.00 0.71 H new ATOM 0 HA ASP B 25 -19.899 -10.252 -0.726 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -19.391 -8.097 -2.232 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.077 -7.870 -1.096 1.00 0.72 H new ATOM 2014 N LYS B 26 -17.516 -9.783 0.728 1.00 0.61 N ATOM 2015 CA LYS B 26 -16.579 -9.866 1.843 1.00 0.56 C ATOM 2016 C LYS B 26 -15.191 -9.428 1.396 1.00 0.49 C ATOM 2017 O LYS B 26 -14.262 -9.339 2.200 1.00 0.55 O ATOM 2018 CB LYS B 26 -16.508 -11.294 2.386 1.00 0.71 C ATOM 2019 CG LYS B 26 -17.431 -11.562 3.556 1.00 1.03 C ATOM 2020 CD LYS B 26 -16.787 -11.118 4.861 1.00 0.70 C ATOM 2021 CE LYS B 26 -15.656 -12.043 5.280 1.00 0.94 C ATOM 2022 NZ LYS B 26 -16.124 -13.435 5.498 1.00 1.56 N ATOM 0 H LYS B 26 -17.116 -10.064 -0.167 1.00 0.61 H new ATOM 0 HA LYS B 26 -16.934 -9.204 2.633 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -16.749 -11.989 1.581 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -15.483 -11.504 2.691 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -18.373 -11.033 3.411 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -17.666 -12.625 3.604 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -16.404 -10.104 4.750 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -17.542 -11.089 5.647 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -14.881 -12.038 4.513 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -15.201 -11.666 6.196 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -15.437 -13.944 6.090 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -17.048 -13.420 5.975 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -16.216 -13.918 4.582 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.057 -9.164 0.104 1.00 0.45 N ATOM 2037 CA PHE B 27 -13.775 -8.808 -0.486 1.00 0.43 C ATOM 2038 C PHE B 27 -13.894 -7.497 -1.252 1.00 0.39 C ATOM 2039 O PHE B 27 -13.007 -7.133 -2.024 1.00 0.40 O ATOM 2040 CB PHE B 27 -13.289 -9.916 -1.431 1.00 0.49 C ATOM 2041 CG PHE B 27 -13.008 -11.233 -0.758 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -14.040 -12.105 -0.447 1.00 1.28 C ATOM 2043 CD2 PHE B 27 -11.710 -11.602 -0.442 1.00 1.76 C ATOM 2044 CE1 PHE B 27 -13.784 -13.315 0.167 1.00 1.59 C ATOM 2045 CE2 PHE B 27 -11.448 -12.812 0.172 1.00 2.08 C ATOM 2046 CZ PHE B 27 -12.485 -13.668 0.477 1.00 1.65 C ATOM 0 H PHE B 27 -15.830 -9.190 -0.561 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.050 -8.689 0.319 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -14.041 -10.071 -2.205 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -12.382 -9.577 -1.931 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -15.057 -11.834 -0.688 1.00 1.28 H new ATOM 0 HD2 PHE B 27 -10.893 -10.936 -0.678 1.00 1.76 H new ATOM 0 HE1 PHE B 27 -14.598 -13.984 0.404 1.00 1.59 H new ATOM 0 HE2 PHE B 27 -10.432 -13.087 0.413 1.00 2.08 H new ATOM 0 HZ PHE B 27 -12.282 -14.614 0.958 1.00 1.65 H new ATOM 2056 N LYS B 28 -14.998 -6.796 -1.030 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.265 -5.535 -1.706 1.00 0.36 C ATOM 2058 C LYS B 28 -15.992 -4.584 -0.783 1.00 0.34 C ATOM 2059 O LYS B 28 -16.758 -5.006 0.073 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.122 -5.725 -2.958 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.417 -6.351 -4.150 1.00 0.49 C ATOM 2062 CD LYS B 28 -16.307 -6.274 -5.379 1.00 0.56 C ATOM 2063 CE LYS B 28 -15.674 -6.921 -6.596 1.00 0.86 C ATOM 2064 NZ LYS B 28 -16.632 -6.999 -7.734 1.00 1.70 N ATOM 0 H LYS B 28 -15.729 -7.084 -0.380 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.297 -5.127 -1.995 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -16.979 -6.347 -2.698 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.513 -4.753 -3.259 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.476 -5.834 -4.339 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -15.172 -7.391 -3.933 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -17.258 -6.762 -5.166 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -16.527 -5.229 -5.600 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -14.796 -6.350 -6.897 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -15.330 -7.923 -6.339 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -16.120 -7.254 -8.602 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -17.353 -7.721 -7.532 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -17.094 -6.076 -7.863 1.00 1.70 H new ATOM 2078 N LEU B 29 -15.738 -3.304 -0.965 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.470 -2.272 -0.271 1.00 0.28 C ATOM 2080 C LEU B 29 -17.392 -1.565 -1.237 1.00 0.30 C ATOM 2081 O LEU B 29 -16.943 -0.833 -2.122 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.529 -1.236 0.335 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.552 -1.748 1.369 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.408 -0.769 1.500 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.252 -1.916 2.705 1.00 0.25 C ATOM 0 H LEU B 29 -15.019 -2.953 -1.598 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.038 -2.749 0.528 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -14.962 -0.773 -0.473 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.132 -0.451 0.792 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.164 -2.717 1.056 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.700 -1.134 2.245 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -12.904 -0.668 0.539 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.794 0.202 1.811 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.541 -2.285 3.444 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.649 -0.955 3.031 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.070 -2.629 2.600 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.671 -1.790 -1.073 1.00 0.31 N ATOM 2098 CA ASN B 30 -19.669 -1.014 -1.779 1.00 0.35 C ATOM 2099 C ASN B 30 -19.707 0.362 -1.148 1.00 0.32 C ATOM 2100 O ASN B 30 -19.094 0.562 -0.104 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.025 -1.716 -1.713 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.347 -2.192 -0.319 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -20.776 -3.325 0.052 1.00 0.55 O flip ATOM 2104 ND2 ASN B 30 -22.059 -1.529 0.434 1.00 0.42 N flip ATOM 0 H ASN B 30 -19.051 -2.507 -0.455 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.420 -0.917 -2.836 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -21.804 -1.033 -2.052 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.027 -2.566 -2.396 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -22.479 -0.660 0.105 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -22.229 -1.848 1.388 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.399 1.304 -1.759 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.299 2.697 -1.333 1.00 0.34 C ATOM 2113 C LYS B 31 -20.617 2.853 0.150 1.00 0.31 C ATOM 2114 O LYS B 31 -19.975 3.637 0.851 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.231 3.593 -2.137 1.00 0.41 C ATOM 2116 CG LYS B 31 -20.937 3.639 -3.623 1.00 0.68 C ATOM 2117 CD LYS B 31 -21.685 4.779 -4.283 1.00 0.71 C ATOM 2118 CE LYS B 31 -21.636 4.674 -5.795 1.00 1.15 C ATOM 2119 NZ LYS B 31 -22.424 3.519 -6.303 1.00 1.99 N ATOM 0 H LYS B 31 -21.031 1.139 -2.543 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.268 3.002 -1.510 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.256 3.251 -1.993 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.174 4.606 -1.737 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -19.866 3.760 -3.783 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -21.224 2.694 -4.085 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -22.723 4.775 -3.950 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -21.253 5.729 -3.969 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -22.020 5.595 -6.234 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -20.600 4.575 -6.117 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -22.008 3.180 -7.194 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -22.409 2.753 -5.600 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -23.406 3.816 -6.471 1.00 1.99 H new ATOM 2133 N SER B 32 -21.602 2.097 0.618 1.00 0.34 N ATOM 2134 CA SER B 32 -21.996 2.121 2.018 1.00 0.37 C ATOM 2135 C SER B 32 -20.816 1.751 2.911 1.00 0.34 C ATOM 2136 O SER B 32 -20.470 2.475 3.852 1.00 0.37 O ATOM 2137 CB SER B 32 -23.155 1.146 2.238 1.00 0.45 C ATOM 2138 OG SER B 32 -24.224 1.433 1.346 1.00 1.33 O ATOM 0 H SER B 32 -22.146 1.455 0.042 1.00 0.34 H new ATOM 0 HA SER B 32 -22.319 3.129 2.280 1.00 0.37 H new ATOM 0 HB2 SER B 32 -22.811 0.123 2.085 1.00 0.45 H new ATOM 0 HB3 SER B 32 -23.505 1.214 3.268 1.00 0.45 H new ATOM 0 HG SER B 32 -24.956 0.800 1.498 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.181 0.639 2.581 1.00 0.32 N ATOM 2145 CA GLU B 33 -19.050 0.146 3.341 1.00 0.34 C ATOM 2146 C GLU B 33 -17.833 1.039 3.144 1.00 0.30 C ATOM 2147 O GLU B 33 -17.111 1.325 4.097 1.00 0.32 O ATOM 2148 CB GLU B 33 -18.727 -1.275 2.914 1.00 0.44 C ATOM 2149 CG GLU B 33 -19.883 -2.237 3.083 1.00 0.59 C ATOM 2150 CD GLU B 33 -19.464 -3.661 2.811 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -18.818 -3.896 1.776 1.00 2.15 O ATOM 2152 OE2 GLU B 33 -19.785 -4.542 3.630 1.00 2.32 O ATOM 0 H GLU B 33 -20.435 0.057 1.783 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.312 0.156 4.399 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.420 -1.270 1.868 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -17.878 -1.635 3.494 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -20.276 -2.160 4.097 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -20.691 -1.959 2.406 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.618 1.476 1.902 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.510 2.354 1.570 1.00 0.33 C ATOM 2161 C LEU B 34 -16.549 3.605 2.432 1.00 0.29 C ATOM 2162 O LEU B 34 -15.534 4.010 2.988 1.00 0.30 O ATOM 2163 CB LEU B 34 -16.560 2.753 0.098 1.00 0.50 C ATOM 2164 CG LEU B 34 -15.355 3.554 -0.386 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.155 2.639 -0.540 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -15.673 4.263 -1.691 1.00 0.54 C ATOM 0 H LEU B 34 -18.207 1.229 1.107 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.583 1.812 1.760 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -16.646 1.850 -0.507 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -17.462 3.339 -0.075 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.115 4.316 0.356 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -13.298 3.217 -0.886 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -13.920 2.182 0.421 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.383 1.859 -1.266 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -14.801 4.829 -2.020 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -15.935 3.527 -2.451 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -16.511 4.943 -1.541 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.728 4.213 2.529 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.921 5.382 3.378 1.00 0.29 C ATOM 2180 C LYS B 35 -17.451 5.118 4.798 1.00 0.29 C ATOM 2181 O LYS B 35 -16.562 5.800 5.304 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.390 5.794 3.418 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.841 6.627 2.235 1.00 0.39 C ATOM 2184 CD LYS B 35 -21.338 6.869 2.289 1.00 0.51 C ATOM 2185 CE LYS B 35 -21.740 8.143 1.564 1.00 0.70 C ATOM 2186 NZ LYS B 35 -23.191 8.429 1.739 1.00 1.29 N ATOM 0 H LYS B 35 -18.565 3.914 2.029 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.327 6.187 2.946 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -20.005 4.896 3.469 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.572 6.357 4.333 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.313 7.581 2.233 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.583 6.118 1.306 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.858 6.020 1.844 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.657 6.929 3.329 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -21.154 8.980 1.943 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -21.511 8.048 0.503 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -23.564 8.874 0.876 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -23.701 7.540 1.918 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -23.323 9.072 2.545 1.00 1.29 H new ATOM 2200 N GLU B 36 -18.047 4.120 5.430 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.777 3.844 6.832 1.00 0.32 C ATOM 2202 C GLU B 36 -16.339 3.450 7.048 1.00 0.31 C ATOM 2203 O GLU B 36 -15.723 3.876 8.012 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.703 2.758 7.341 1.00 0.36 C ATOM 2205 CG GLU B 36 -20.145 3.076 7.042 1.00 0.37 C ATOM 2206 CD GLU B 36 -21.098 2.035 7.572 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.461 2.105 8.766 1.00 1.14 O ATOM 2208 OE2 GLU B 36 -21.477 1.129 6.805 1.00 1.31 O ATOM 0 H GLU B 36 -18.720 3.488 4.996 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.960 4.759 7.395 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.436 1.806 6.881 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.571 2.640 8.417 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.395 4.044 7.475 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.276 3.166 5.964 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.804 2.644 6.156 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.408 2.282 6.238 1.00 0.26 C ATOM 2217 C LEU B 37 -13.542 3.532 6.108 1.00 0.27 C ATOM 2218 O LEU B 37 -12.783 3.848 6.999 1.00 0.31 O ATOM 2219 CB LEU B 37 -14.060 1.249 5.158 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.632 0.709 5.208 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.560 -0.715 4.696 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.706 1.603 4.409 1.00 0.50 C ATOM 0 H LEU B 37 -16.310 2.231 5.373 1.00 0.27 H new ATOM 0 HA LEU B 37 -14.210 1.827 7.209 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.751 0.411 5.244 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -14.226 1.700 4.180 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.312 0.705 6.250 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.530 -1.068 4.746 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.193 -1.355 5.311 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.905 -0.748 3.663 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.691 1.207 4.453 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -12.038 1.636 3.371 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.721 2.609 4.827 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.690 4.265 5.020 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.866 5.447 4.788 1.00 0.29 C ATOM 2236 C LEU B 38 -12.943 6.433 5.952 1.00 0.30 C ATOM 2237 O LEU B 38 -11.925 6.892 6.446 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.276 6.137 3.492 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.359 5.878 2.296 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -10.971 6.430 2.571 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.285 4.394 1.984 1.00 0.43 C ATOM 0 H LEU B 38 -14.368 4.068 4.284 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.833 5.110 4.705 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.285 5.816 3.232 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.320 7.212 3.670 1.00 0.31 H new ATOM 0 HG LEU B 38 -12.775 6.388 1.427 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.327 6.240 1.712 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.035 7.504 2.746 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.554 5.943 3.452 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -11.627 4.234 1.130 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -11.893 3.859 2.849 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.282 4.021 1.749 1.00 0.43 H new ATOM 2253 N THR B 39 -14.152 6.756 6.374 1.00 0.31 N ATOM 2254 CA THR B 39 -14.358 7.658 7.504 1.00 0.33 C ATOM 2255 C THR B 39 -13.740 7.132 8.811 1.00 0.34 C ATOM 2256 O THR B 39 -13.200 7.903 9.606 1.00 0.38 O ATOM 2257 CB THR B 39 -15.860 7.908 7.735 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.533 6.670 7.992 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.495 8.568 6.524 1.00 0.34 C ATOM 0 H THR B 39 -15.013 6.408 5.952 1.00 0.31 H new ATOM 0 HA THR B 39 -13.854 8.588 7.241 1.00 0.33 H new ATOM 0 HB THR B 39 -15.958 8.571 8.595 1.00 0.33 H new ATOM 0 HG1 THR B 39 -16.541 6.126 7.177 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.556 8.733 6.714 1.00 0.34 H new ATOM 0 HG22 THR B 39 -16.007 9.524 6.333 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.379 7.921 5.654 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.830 5.826 9.023 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.449 5.206 10.298 1.00 0.36 C ATOM 2269 C ARG B 40 -12.023 4.661 10.312 1.00 0.40 C ATOM 2270 O ARG B 40 -11.375 4.654 11.361 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.474 4.118 10.625 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.750 4.674 11.228 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.866 3.649 11.216 1.00 0.56 C ATOM 2274 NE ARG B 40 -18.147 4.233 11.611 1.00 1.16 N ATOM 2275 CZ ARG B 40 -19.332 3.745 11.251 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -19.404 2.620 10.554 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -20.448 4.370 11.611 1.00 2.31 N ATOM 0 H ARG B 40 -14.167 5.164 8.324 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.455 5.977 11.069 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.717 3.569 9.715 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -14.030 3.404 11.319 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.560 4.993 12.253 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -16.061 5.558 10.671 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -16.955 3.221 10.218 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.616 2.832 11.892 1.00 0.56 H new ATOM 0 HE ARG B 40 -18.132 5.066 12.199 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.550 2.127 10.293 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -20.313 2.248 10.279 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -20.398 5.225 12.164 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -21.355 3.994 11.334 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.527 4.212 9.173 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.176 3.698 9.094 1.00 0.46 C ATOM 2293 C GLU B 41 -9.235 4.807 8.632 1.00 0.54 C ATOM 2294 O GLU B 41 -8.088 4.876 9.047 1.00 0.85 O ATOM 2295 CB GLU B 41 -10.105 2.512 8.115 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.333 1.594 8.075 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.885 1.158 9.420 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -11.409 0.159 9.986 1.00 1.02 O ATOM 2299 OE2 GLU B 41 -12.830 1.791 9.911 1.00 1.30 O ATOM 0 H GLU B 41 -12.041 4.194 8.292 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.874 3.350 10.082 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -9.938 2.905 7.112 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -9.234 1.908 8.370 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.126 2.105 7.528 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -11.076 0.702 7.504 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.737 5.719 7.816 1.00 0.40 N ATOM 2307 CA LEU B 42 -8.919 6.830 7.345 1.00 0.41 C ATOM 2308 C LEU B 42 -9.566 8.187 7.621 1.00 0.37 C ATOM 2309 O LEU B 42 -9.836 8.954 6.690 1.00 0.35 O ATOM 2310 CB LEU B 42 -8.635 6.667 5.854 1.00 0.44 C ATOM 2311 CG LEU B 42 -7.602 5.596 5.522 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -7.631 5.265 4.043 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.216 6.067 5.935 1.00 0.74 C ATOM 0 H LEU B 42 -10.696 5.715 7.468 1.00 0.40 H new ATOM 0 HA LEU B 42 -7.981 6.808 7.901 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -9.567 6.426 5.343 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.291 7.622 5.456 1.00 0.44 H new ATOM 0 HG LEU B 42 -7.847 4.690 6.077 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -6.886 4.499 3.827 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -8.620 4.896 3.772 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -7.407 6.162 3.465 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -5.483 5.297 5.695 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -5.968 6.983 5.399 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.202 6.259 7.008 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.798 8.519 8.909 1.00 0.40 N ATOM 2326 CA PRO B 43 -10.364 9.811 9.313 1.00 0.43 C ATOM 2327 C PRO B 43 -9.600 10.991 8.744 1.00 0.45 C ATOM 2328 O PRO B 43 -10.171 12.043 8.481 1.00 0.49 O ATOM 2329 CB PRO B 43 -10.208 9.808 10.826 1.00 0.50 C ATOM 2330 CG PRO B 43 -10.236 8.373 11.203 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.553 7.650 10.080 1.00 0.44 C ATOM 0 HA PRO B 43 -11.389 9.919 8.957 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -9.273 10.279 11.129 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -11.014 10.360 11.309 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.720 8.206 12.149 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -11.260 8.021 11.331 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.487 7.526 10.272 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -9.968 6.653 9.934 1.00 0.44 H new ATOM 2339 N SER B 44 -8.303 10.814 8.574 1.00 0.45 N ATOM 2340 CA SER B 44 -7.455 11.875 8.076 1.00 0.47 C ATOM 2341 C SER B 44 -7.632 12.051 6.569 1.00 0.44 C ATOM 2342 O SER B 44 -7.848 13.172 6.086 1.00 0.45 O ATOM 2343 CB SER B 44 -5.999 11.579 8.416 1.00 0.51 C ATOM 2344 OG SER B 44 -5.148 12.652 8.056 1.00 0.59 O ATOM 0 H SER B 44 -7.815 9.941 8.775 1.00 0.45 H new ATOM 0 HA SER B 44 -7.746 12.808 8.558 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.907 11.385 9.485 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.681 10.674 7.899 1.00 0.51 H new ATOM 0 HG SER B 44 -4.223 12.428 8.290 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.591 10.930 5.839 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.615 10.968 4.379 1.00 0.41 C ATOM 2352 C PHE B 45 -8.818 11.747 3.884 1.00 0.41 C ATOM 2353 O PHE B 45 -8.681 12.740 3.169 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.634 9.565 3.769 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.468 9.604 2.276 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -6.219 9.801 1.714 1.00 1.83 C ATOM 2357 CD2 PHE B 45 -8.561 9.472 1.436 1.00 1.81 C ATOM 2358 CE1 PHE B 45 -6.063 9.863 0.344 1.00 2.38 C ATOM 2359 CE2 PHE B 45 -8.411 9.531 0.064 1.00 2.37 C ATOM 2360 CZ PHE B 45 -7.159 9.728 -0.483 1.00 2.40 C ATOM 0 H PHE B 45 -7.541 9.992 6.236 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.699 11.466 4.061 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.836 8.967 4.208 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -8.574 9.073 4.018 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.356 9.907 2.355 1.00 1.83 H new ATOM 0 HD2 PHE B 45 -9.543 9.321 1.859 1.00 1.81 H new ATOM 0 HE1 PHE B 45 -5.082 10.017 -0.081 1.00 2.38 H new ATOM 0 HE2 PHE B 45 -9.272 9.423 -0.579 1.00 2.37 H new ATOM 0 HZ PHE B 45 -7.038 9.776 -1.555 1.00 2.40 H new ATOM 2370 N LEU B 46 -9.996 11.301 4.275 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.212 11.961 3.850 1.00 0.57 C ATOM 2372 C LEU B 46 -11.648 13.030 4.829 1.00 0.65 C ATOM 2373 O LEU B 46 -12.551 13.796 4.536 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.332 10.966 3.614 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.179 10.113 2.362 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -13.452 9.348 2.115 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -11.829 10.974 1.152 1.00 0.54 C ATOM 0 H LEU B 46 -10.135 10.492 4.880 1.00 0.45 H new ATOM 0 HA LEU B 46 -10.987 12.451 2.903 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -12.401 10.306 4.479 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -13.275 11.510 3.552 1.00 0.67 H new ATOM 0 HG LEU B 46 -11.361 9.409 2.516 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -13.342 8.738 1.219 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -13.661 8.704 2.969 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.276 10.048 1.978 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -11.726 10.340 0.272 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -12.621 11.703 0.983 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -10.890 11.495 1.336 1.00 0.54 H new ATOM 2389 N GLY B 47 -11.005 13.107 5.984 1.00 0.74 N ATOM 2390 CA GLY B 47 -11.260 14.225 6.875 1.00 0.90 C ATOM 2391 C GLY B 47 -10.976 15.525 6.160 1.00 0.89 C ATOM 2392 O GLY B 47 -11.526 16.576 6.483 1.00 0.99 O ATOM 0 H GLY B 47 -10.321 12.428 6.319 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -12.296 14.204 7.212 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -10.634 14.144 7.764 1.00 0.90 H new ATOM 2396 N LYS B 48 -10.104 15.420 5.169 1.00 0.79 N ATOM 2397 CA LYS B 48 -9.781 16.518 4.280 1.00 0.82 C ATOM 2398 C LYS B 48 -10.860 16.730 3.205 1.00 0.78 C ATOM 2399 O LYS B 48 -10.943 17.807 2.609 1.00 0.87 O ATOM 2400 CB LYS B 48 -8.463 16.200 3.592 1.00 0.81 C ATOM 2401 CG LYS B 48 -7.598 17.414 3.302 1.00 1.08 C ATOM 2402 CD LYS B 48 -7.033 18.016 4.577 1.00 1.51 C ATOM 2403 CE LYS B 48 -6.126 19.195 4.275 1.00 2.27 C ATOM 2404 NZ LYS B 48 -5.450 19.699 5.498 1.00 3.17 N ATOM 0 H LYS B 48 -9.597 14.560 4.960 1.00 0.79 H new ATOM 0 HA LYS B 48 -9.718 17.431 4.873 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -7.899 15.508 4.217 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -8.672 15.685 2.654 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -6.780 17.129 2.640 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -8.188 18.164 2.775 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -7.850 18.339 5.222 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -6.475 17.256 5.124 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -5.376 18.898 3.542 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -6.711 19.998 3.826 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -4.840 20.504 5.251 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -6.165 20.006 6.188 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -4.872 18.941 5.913 1.00 3.17 H new ATOM 2418 N ARG B 49 -11.683 15.710 2.958 1.00 0.73 N ATOM 2419 CA ARG B 49 -12.568 15.713 1.795 1.00 0.81 C ATOM 2420 C ARG B 49 -13.669 14.643 1.904 1.00 0.74 C ATOM 2421 O ARG B 49 -13.646 13.650 1.178 1.00 1.00 O ATOM 2422 CB ARG B 49 -11.719 15.457 0.544 1.00 0.95 C ATOM 2423 CG ARG B 49 -12.088 16.304 -0.663 1.00 1.17 C ATOM 2424 CD ARG B 49 -13.415 15.895 -1.276 1.00 1.01 C ATOM 2425 NE ARG B 49 -13.627 16.562 -2.561 1.00 1.61 N ATOM 2426 CZ ARG B 49 -14.815 16.851 -3.088 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -15.926 16.654 -2.396 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -14.883 17.379 -4.303 1.00 2.50 N ATOM 0 H ARG B 49 -11.755 14.878 3.543 1.00 0.73 H new ATOM 0 HA ARG B 49 -13.065 16.681 1.738 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -10.672 15.637 0.790 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -11.806 14.405 0.272 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -12.136 17.352 -0.367 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -11.303 16.221 -1.415 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -13.438 14.814 -1.415 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -14.227 16.146 -0.594 1.00 1.01 H new ATOM 0 HE ARG B 49 -12.799 16.826 -3.095 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -15.877 16.277 -1.449 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -16.831 16.879 -2.809 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -14.028 17.561 -4.828 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -15.790 17.602 -4.712 1.00 2.50 H new ATOM 2442 N THR B 50 -14.633 14.842 2.797 1.00 0.75 N ATOM 2443 CA THR B 50 -15.724 13.883 2.950 1.00 0.72 C ATOM 2444 C THR B 50 -17.009 14.374 2.298 1.00 0.82 C ATOM 2445 O THR B 50 -17.714 15.224 2.847 1.00 1.33 O ATOM 2446 CB THR B 50 -16.028 13.567 4.422 1.00 0.73 C ATOM 2447 OG1 THR B 50 -15.966 14.769 5.203 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.070 12.531 4.981 1.00 0.63 C ATOM 0 H THR B 50 -14.683 15.648 3.420 1.00 0.75 H new ATOM 0 HA THR B 50 -15.378 12.977 2.452 1.00 0.72 H new ATOM 0 HB THR B 50 -17.034 13.151 4.475 1.00 0.73 H new ATOM 0 HG1 THR B 50 -16.513 15.463 4.779 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.316 12.333 6.024 1.00 0.63 H new ATOM 0 HG22 THR B 50 -15.156 11.609 4.407 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.049 12.906 4.914 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.304 13.835 1.127 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.558 14.112 0.438 1.00 0.61 C ATOM 2458 C ASP B 51 -19.005 12.854 -0.275 1.00 0.58 C ATOM 2459 O ASP B 51 -18.164 12.037 -0.638 1.00 0.54 O ATOM 2460 CB ASP B 51 -18.404 15.247 -0.582 1.00 0.68 C ATOM 2461 CG ASP B 51 -18.028 16.572 0.048 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -18.938 17.343 0.410 1.00 1.77 O ATOM 2463 OD2 ASP B 51 -16.819 16.857 0.168 1.00 2.01 O ATOM 0 H ASP B 51 -16.686 13.196 0.627 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.298 14.425 1.175 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -17.642 14.970 -1.311 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -19.340 15.365 -1.128 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.300 12.678 -0.479 1.00 0.67 N ATOM 2469 CA GLU B 52 -20.786 11.502 -1.195 1.00 0.71 C ATOM 2470 C GLU B 52 -20.199 11.464 -2.593 1.00 0.66 C ATOM 2471 O GLU B 52 -19.795 10.408 -3.083 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.307 11.485 -1.264 1.00 0.87 C ATOM 2473 CG GLU B 52 -22.955 11.425 0.101 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.423 11.090 0.030 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -24.752 9.888 0.062 1.00 1.90 O ATOM 2476 OE2 GLU B 52 -25.253 12.017 -0.049 1.00 1.82 O ATOM 0 H GLU B 52 -21.027 13.321 -0.166 1.00 0.67 H new ATOM 0 HA GLU B 52 -20.465 10.617 -0.646 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -22.652 12.377 -1.786 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.630 10.626 -1.852 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -22.444 10.678 0.709 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -22.829 12.385 0.602 1.00 0.95 H new ATOM 2483 N ALA B 53 -20.129 12.631 -3.213 1.00 0.71 N ATOM 2484 CA ALA B 53 -19.490 12.770 -4.510 1.00 0.76 C ATOM 2485 C ALA B 53 -18.013 12.397 -4.416 1.00 0.66 C ATOM 2486 O ALA B 53 -17.461 11.774 -5.318 1.00 0.68 O ATOM 2487 CB ALA B 53 -19.650 14.191 -5.028 1.00 0.91 C ATOM 0 H ALA B 53 -20.509 13.499 -2.836 1.00 0.71 H new ATOM 0 HA ALA B 53 -19.973 12.090 -5.212 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -19.166 14.280 -6.001 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -20.710 14.425 -5.127 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -19.189 14.888 -4.328 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.386 12.755 -3.299 1.00 0.59 N ATOM 2494 CA ALA B 54 -15.981 12.439 -3.078 1.00 0.58 C ATOM 2495 C ALA B 54 -15.797 10.940 -2.916 1.00 0.48 C ATOM 2496 O ALA B 54 -14.855 10.363 -3.448 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.454 13.173 -1.857 1.00 0.64 C ATOM 0 H ALA B 54 -17.830 13.264 -2.534 1.00 0.59 H new ATOM 0 HA ALA B 54 -15.412 12.768 -3.948 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.403 12.924 -1.708 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.555 14.248 -2.007 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -16.025 12.874 -0.978 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.708 10.318 -2.176 1.00 0.46 N ATOM 2504 CA PHE B 55 -16.724 8.868 -2.032 1.00 0.42 C ATOM 2505 C PHE B 55 -16.899 8.200 -3.383 1.00 0.44 C ATOM 2506 O PHE B 55 -16.213 7.237 -3.701 1.00 0.45 O ATOM 2507 CB PHE B 55 -17.854 8.431 -1.105 1.00 0.43 C ATOM 2508 CG PHE B 55 -17.563 8.650 0.352 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -16.659 7.844 1.022 1.00 1.97 C ATOM 2510 CD2 PHE B 55 -18.197 9.661 1.054 1.00 1.87 C ATOM 2511 CE1 PHE B 55 -16.394 8.046 2.363 1.00 2.77 C ATOM 2512 CE2 PHE B 55 -17.937 9.867 2.393 1.00 2.69 C ATOM 2513 CZ PHE B 55 -17.034 9.059 3.049 1.00 2.95 C ATOM 0 H PHE B 55 -17.448 10.799 -1.665 1.00 0.46 H new ATOM 0 HA PHE B 55 -15.770 8.565 -1.601 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -18.760 8.976 -1.371 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -18.058 7.373 -1.270 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -16.156 7.049 0.491 1.00 1.97 H new ATOM 0 HD2 PHE B 55 -18.906 10.298 0.546 1.00 1.87 H new ATOM 0 HE1 PHE B 55 -15.686 7.411 2.875 1.00 2.77 H new ATOM 0 HE2 PHE B 55 -18.440 10.660 2.926 1.00 2.69 H new ATOM 0 HZ PHE B 55 -16.827 9.218 4.097 1.00 2.95 H new ATOM 2523 N GLN B 56 -17.833 8.723 -4.163 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.089 8.234 -5.508 1.00 0.54 C ATOM 2525 C GLN B 56 -16.843 8.359 -6.382 1.00 0.53 C ATOM 2526 O GLN B 56 -16.493 7.430 -7.113 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.247 9.022 -6.120 1.00 0.62 C ATOM 2528 CG GLN B 56 -19.514 8.698 -7.576 1.00 0.76 C ATOM 2529 CD GLN B 56 -19.971 7.269 -7.798 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -21.164 6.975 -7.751 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -19.026 6.376 -8.048 1.00 0.87 N ATOM 0 H GLN B 56 -18.434 9.498 -3.881 1.00 0.48 H new ATOM 0 HA GLN B 56 -18.354 7.178 -5.454 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -20.151 8.826 -5.543 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -19.036 10.087 -6.029 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.274 9.379 -7.959 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -18.607 8.876 -8.153 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -18.048 6.663 -8.078 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -19.276 5.401 -8.211 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.177 9.505 -6.300 1.00 0.51 N ATOM 2541 CA LYS B 57 -14.962 9.736 -7.070 1.00 0.51 C ATOM 2542 C LYS B 57 -13.847 8.809 -6.613 1.00 0.47 C ATOM 2543 O LYS B 57 -13.213 8.153 -7.433 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.511 11.195 -6.969 1.00 0.55 C ATOM 2545 CG LYS B 57 -14.685 11.968 -8.268 1.00 0.76 C ATOM 2546 CD LYS B 57 -16.152 12.131 -8.638 1.00 1.00 C ATOM 2547 CE LYS B 57 -16.821 13.231 -7.829 1.00 0.86 C ATOM 2548 NZ LYS B 57 -16.244 14.572 -8.117 1.00 1.60 N ATOM 0 H LYS B 57 -16.458 10.287 -5.709 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.188 9.520 -8.114 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -15.078 11.690 -6.181 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.462 11.225 -6.674 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -14.224 12.951 -8.170 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -14.163 11.449 -9.072 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -16.235 12.360 -9.700 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -16.675 11.189 -8.473 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -17.889 13.242 -8.048 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -16.716 13.013 -6.766 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -16.931 15.308 -7.858 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -15.373 14.701 -7.563 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -16.024 14.645 -9.131 1.00 1.60 H new ATOM 2562 N LEU B 58 -13.623 8.745 -5.302 1.00 0.45 N ATOM 2563 CA LEU B 58 -12.609 7.868 -4.740 1.00 0.43 C ATOM 2564 C LEU B 58 -12.887 6.426 -5.130 1.00 0.42 C ATOM 2565 O LEU B 58 -11.982 5.693 -5.512 1.00 0.41 O ATOM 2566 CB LEU B 58 -12.576 7.995 -3.218 1.00 0.43 C ATOM 2567 CG LEU B 58 -11.401 7.295 -2.545 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.091 7.883 -3.039 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -11.514 7.416 -1.036 1.00 0.40 C ATOM 0 H LEU B 58 -14.134 9.294 -4.611 1.00 0.45 H new ATOM 0 HA LEU B 58 -11.639 8.165 -5.139 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -12.550 9.053 -2.956 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -13.503 7.589 -2.813 1.00 0.43 H new ATOM 0 HG LEU B 58 -11.421 6.237 -2.805 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.258 7.376 -2.552 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.016 7.749 -4.118 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.057 8.946 -2.802 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -10.669 6.912 -0.566 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -11.511 8.469 -0.754 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -12.443 6.954 -0.702 1.00 0.40 H new ATOM 2581 N MET B 59 -14.150 6.038 -5.031 1.00 0.45 N ATOM 2582 CA MET B 59 -14.597 4.732 -5.482 1.00 0.48 C ATOM 2583 C MET B 59 -14.168 4.507 -6.919 1.00 0.48 C ATOM 2584 O MET B 59 -13.423 3.586 -7.207 1.00 0.48 O ATOM 2585 CB MET B 59 -16.120 4.629 -5.349 1.00 0.54 C ATOM 2586 CG MET B 59 -16.725 3.436 -6.070 1.00 0.57 C ATOM 2587 SD MET B 59 -18.273 2.888 -5.339 1.00 1.64 S ATOM 2588 CE MET B 59 -17.689 2.159 -3.811 1.00 2.39 C ATOM 0 H MET B 59 -14.890 6.619 -4.637 1.00 0.45 H new ATOM 0 HA MET B 59 -14.142 3.960 -4.861 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.379 4.571 -4.292 1.00 0.54 H new ATOM 0 HB3 MET B 59 -16.571 5.542 -5.738 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.895 3.697 -7.115 1.00 0.57 H new ATOM 0 HG3 MET B 59 -16.012 2.612 -6.059 1.00 0.57 H new ATOM 0 HE1 MET B 59 -18.271 1.264 -3.589 1.00 2.39 H new ATOM 0 HE2 MET B 59 -16.637 1.892 -3.914 1.00 2.39 H new ATOM 0 HE3 MET B 59 -17.803 2.877 -2.999 1.00 2.39 H new ATOM 2598 N SER B 60 -14.607 5.392 -7.794 1.00 0.49 N ATOM 2599 CA SER B 60 -14.264 5.341 -9.217 1.00 0.52 C ATOM 2600 C SER B 60 -12.741 5.324 -9.443 1.00 0.51 C ATOM 2601 O SER B 60 -12.254 4.813 -10.453 1.00 0.55 O ATOM 2602 CB SER B 60 -14.899 6.544 -9.924 1.00 0.55 C ATOM 2603 OG SER B 60 -14.525 6.613 -11.286 1.00 1.34 O ATOM 0 H SER B 60 -15.214 6.173 -7.544 1.00 0.49 H new ATOM 0 HA SER B 60 -14.655 4.413 -9.634 1.00 0.52 H new ATOM 0 HB2 SER B 60 -15.984 6.478 -9.848 1.00 0.55 H new ATOM 0 HB3 SER B 60 -14.599 7.462 -9.418 1.00 0.55 H new ATOM 0 HG SER B 60 -14.950 7.391 -11.703 1.00 1.34 H new ATOM 2609 N ASN B 61 -11.996 5.884 -8.500 1.00 0.48 N ATOM 2610 CA ASN B 61 -10.538 5.922 -8.588 1.00 0.50 C ATOM 2611 C ASN B 61 -9.947 4.549 -8.321 1.00 0.49 C ATOM 2612 O ASN B 61 -9.162 4.026 -9.114 1.00 0.56 O ATOM 2613 CB ASN B 61 -9.953 6.915 -7.579 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.245 8.359 -7.930 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -10.393 8.712 -9.101 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -10.326 9.207 -6.917 1.00 0.57 N ATOM 0 H ASN B 61 -12.377 6.321 -7.661 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.282 6.240 -9.599 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -10.356 6.699 -6.590 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -8.874 6.772 -7.521 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -10.517 10.194 -7.092 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.197 8.874 -5.962 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.336 3.975 -7.198 1.00 0.44 N ATOM 2624 CA LEU B 62 -9.789 2.704 -6.746 1.00 0.43 C ATOM 2625 C LEU B 62 -10.402 1.577 -7.546 1.00 0.48 C ATOM 2626 O LEU B 62 -9.702 0.737 -8.098 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.104 2.513 -5.266 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.035 3.795 -4.438 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.400 3.522 -2.986 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -8.664 4.440 -4.559 1.00 0.35 C ATOM 0 H LEU B 62 -11.037 4.373 -6.573 1.00 0.44 H new ATOM 0 HA LEU B 62 -8.708 2.701 -6.889 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.103 2.086 -5.171 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.406 1.787 -4.849 1.00 0.38 H new ATOM 0 HG LEU B 62 -10.767 4.500 -4.832 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.344 4.449 -2.416 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.414 3.125 -2.934 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -9.704 2.796 -2.566 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -8.637 5.351 -3.962 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -7.903 3.747 -4.199 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -8.468 4.684 -5.603 1.00 0.35 H new ATOM 2642 N ASP B 63 -11.721 1.600 -7.598 1.00 0.48 N ATOM 2643 CA ASP B 63 -12.510 0.655 -8.366 1.00 0.53 C ATOM 2644 C ASP B 63 -12.254 0.865 -9.856 1.00 0.57 C ATOM 2645 O ASP B 63 -12.991 1.573 -10.541 1.00 0.62 O ATOM 2646 CB ASP B 63 -13.988 0.864 -8.006 1.00 0.56 C ATOM 2647 CG ASP B 63 -14.959 0.163 -8.919 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -14.764 -1.027 -9.210 1.00 1.24 O ATOM 2649 OD2 ASP B 63 -15.937 0.808 -9.347 1.00 1.34 O ATOM 0 H ASP B 63 -12.284 2.288 -7.099 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.231 -0.372 -8.130 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.153 0.517 -6.986 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.204 1.932 -8.018 1.00 0.56 H new ATOM 2654 N SER B 64 -11.180 0.265 -10.345 1.00 0.58 N ATOM 2655 CA SER B 64 -10.750 0.468 -11.715 1.00 0.64 C ATOM 2656 C SER B 64 -11.591 -0.378 -12.663 1.00 0.65 C ATOM 2657 O SER B 64 -11.677 -0.093 -13.858 1.00 0.75 O ATOM 2658 CB SER B 64 -9.259 0.130 -11.854 1.00 0.72 C ATOM 2659 OG SER B 64 -8.739 0.555 -13.105 1.00 1.38 O ATOM 0 H SER B 64 -10.589 -0.370 -9.808 1.00 0.58 H new ATOM 0 HA SER B 64 -10.891 1.516 -11.981 1.00 0.64 H new ATOM 0 HB2 SER B 64 -8.701 0.606 -11.047 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.118 -0.946 -11.748 1.00 0.72 H new ATOM 0 HG SER B 64 -7.788 0.325 -13.159 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.229 -1.414 -12.124 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.113 -2.255 -12.927 1.00 0.72 C ATOM 2667 C ASN B 65 -14.483 -1.591 -13.050 1.00 0.69 C ATOM 2668 O ASN B 65 -15.321 -1.986 -13.861 1.00 0.77 O ATOM 2669 CB ASN B 65 -13.235 -3.664 -12.327 1.00 0.79 C ATOM 2670 CG ASN B 65 -14.492 -3.838 -11.510 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -15.494 -4.363 -11.993 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -14.452 -3.389 -10.275 1.00 1.16 N ATOM 0 H ASN B 65 -12.152 -1.690 -11.145 1.00 0.63 H new ATOM 0 HA ASN B 65 -12.683 -2.363 -13.923 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -13.223 -4.400 -13.131 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -12.367 -3.864 -11.699 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -15.274 -3.469 -9.676 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -13.599 -2.960 -9.916 1.00 1.16 H new ATOM 2679 N ARG B 66 -14.660 -0.546 -12.235 1.00 0.60 N ATOM 2680 CA ARG B 66 -15.861 0.274 -12.212 1.00 0.60 C ATOM 2681 C ARG B 66 -17.105 -0.553 -11.925 1.00 0.60 C ATOM 2682 O ARG B 66 -18.114 -0.467 -12.626 1.00 0.69 O ATOM 2683 CB ARG B 66 -15.987 1.048 -13.509 1.00 0.67 C ATOM 2684 CG ARG B 66 -14.800 1.960 -13.780 1.00 0.70 C ATOM 2685 CD ARG B 66 -14.643 3.035 -12.708 1.00 0.70 C ATOM 2686 NE ARG B 66 -13.539 3.944 -13.013 1.00 0.78 N ATOM 2687 CZ ARG B 66 -13.668 5.066 -13.721 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -14.855 5.419 -14.204 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -12.614 5.839 -13.937 1.00 1.15 N ATOM 0 H ARG B 66 -13.955 -0.246 -11.562 1.00 0.60 H new ATOM 0 HA ARG B 66 -15.771 0.989 -11.394 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -16.093 0.345 -14.335 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -16.898 1.646 -13.481 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -13.889 1.363 -13.830 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -14.924 2.435 -14.753 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -15.570 3.603 -12.623 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -14.469 2.563 -11.741 1.00 0.70 H new ATOM 0 HE ARG B 66 -12.612 3.704 -12.662 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -15.671 4.831 -14.033 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -14.950 6.278 -14.745 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -11.703 5.576 -13.561 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -12.714 6.697 -14.479 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.016 -1.330 -10.863 1.00 0.58 N ATOM 2704 CA ASP B 67 -18.125 -2.154 -10.387 1.00 0.61 C ATOM 2705 C ASP B 67 -18.869 -1.409 -9.286 1.00 0.56 C ATOM 2706 O ASP B 67 -19.961 -1.798 -8.872 1.00 0.57 O ATOM 2707 CB ASP B 67 -17.583 -3.490 -9.861 1.00 0.69 C ATOM 2708 CG ASP B 67 -18.651 -4.434 -9.349 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -19.665 -4.638 -10.047 1.00 1.63 O ATOM 2710 OD2 ASP B 67 -18.464 -5.001 -8.253 1.00 1.72 O ATOM 0 H ASP B 67 -16.170 -1.412 -10.299 1.00 0.58 H new ATOM 0 HA ASP B 67 -18.815 -2.356 -11.206 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -17.029 -3.984 -10.659 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -16.874 -3.291 -9.057 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.251 -0.316 -8.839 1.00 0.53 N ATOM 2716 CA ASN B 68 -18.765 0.515 -7.752 1.00 0.51 C ATOM 2717 C ASN B 68 -18.685 -0.216 -6.437 1.00 0.46 C ATOM 2718 O ASN B 68 -19.473 0.010 -5.516 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.174 1.028 -8.041 1.00 0.58 C ATOM 2720 CG ASN B 68 -20.131 2.347 -8.781 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -21.089 3.121 -8.762 1.00 1.08 O ATOM 2722 ND2 ASN B 68 -18.989 2.641 -9.388 1.00 0.66 N ATOM 0 H ASN B 68 -17.369 0.021 -9.226 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.129 1.397 -7.678 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -20.718 0.292 -8.633 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -20.719 1.150 -7.105 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -18.880 3.537 -9.863 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -18.220 1.971 -9.380 1.00 0.66 H new ATOM 2729 N GLU B 69 -17.711 -1.100 -6.374 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.326 -1.765 -5.154 1.00 0.42 C ATOM 2731 C GLU B 69 -15.821 -1.939 -5.171 1.00 0.40 C ATOM 2732 O GLU B 69 -15.271 -2.598 -6.051 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.005 -3.120 -5.024 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.518 -3.043 -4.955 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.185 -4.401 -5.017 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -19.664 -5.360 -4.413 1.00 1.29 O ATOM 2737 OE2 GLU B 69 -21.254 -4.509 -5.655 1.00 1.31 O ATOM 0 H GLU B 69 -17.158 -1.379 -7.184 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.636 -1.163 -4.300 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -17.721 -3.741 -5.873 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -17.635 -3.617 -4.127 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -19.809 -2.544 -4.031 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -19.882 -2.428 -5.778 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.166 -1.342 -4.205 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.709 -1.359 -4.155 1.00 0.36 C ATOM 2746 C VAL B 70 -13.218 -2.677 -3.599 1.00 0.35 C ATOM 2747 O VAL B 70 -13.476 -3.005 -2.445 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.145 -0.204 -3.299 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.680 -0.439 -2.973 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.305 1.118 -4.021 1.00 0.36 C ATOM 0 H VAL B 70 -15.611 -0.836 -3.439 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.353 -1.230 -5.177 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.709 -0.170 -2.367 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.304 0.387 -2.369 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.576 -1.371 -2.417 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.107 -0.502 -3.898 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -12.902 1.921 -3.403 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -12.766 1.083 -4.968 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.362 1.303 -4.212 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.518 -3.434 -4.421 1.00 0.37 N ATOM 2761 CA ASP B 71 -12.052 -4.742 -4.003 1.00 0.39 C ATOM 2762 C ASP B 71 -10.839 -4.629 -3.099 1.00 0.37 C ATOM 2763 O ASP B 71 -10.186 -3.587 -3.055 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.745 -5.639 -5.213 1.00 0.45 C ATOM 2765 CG ASP B 71 -10.262 -5.935 -5.414 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -9.755 -6.905 -4.817 1.00 1.35 O ATOM 2767 OD2 ASP B 71 -9.598 -5.216 -6.165 1.00 1.42 O ATOM 0 H ASP B 71 -12.261 -3.170 -5.372 1.00 0.37 H new ATOM 0 HA ASP B 71 -12.856 -5.208 -3.434 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -12.279 -6.582 -5.096 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -12.134 -5.161 -6.113 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.589 -5.696 -2.356 1.00 0.41 N ATOM 2773 CA PHE B 72 -9.420 -5.823 -1.496 1.00 0.44 C ATOM 2774 C PHE B 72 -8.185 -5.211 -2.145 1.00 0.40 C ATOM 2775 O PHE B 72 -7.545 -4.311 -1.596 1.00 0.42 O ATOM 2776 CB PHE B 72 -9.166 -7.303 -1.261 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.271 -7.759 0.159 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -8.376 -7.314 1.109 1.00 1.70 C ATOM 2779 CD2 PHE B 72 -10.257 -8.655 0.535 1.00 1.69 C ATOM 2780 CE1 PHE B 72 -8.465 -7.751 2.412 1.00 2.17 C ATOM 2781 CE2 PHE B 72 -10.347 -9.099 1.837 1.00 2.18 C ATOM 2782 CZ PHE B 72 -9.449 -8.644 2.778 1.00 2.15 C ATOM 0 H PHE B 72 -11.201 -6.511 -2.332 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.610 -5.297 -0.561 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -9.874 -7.875 -1.861 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -8.169 -7.545 -1.629 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -7.599 -6.618 0.829 1.00 1.70 H new ATOM 0 HD2 PHE B 72 -10.964 -9.010 -0.200 1.00 1.69 H new ATOM 0 HE1 PHE B 72 -7.762 -7.393 3.149 1.00 2.17 H new ATOM 0 HE2 PHE B 72 -11.118 -9.801 2.118 1.00 2.18 H new ATOM 0 HZ PHE B 72 -9.516 -8.986 3.800 1.00 2.15 H new ATOM 2792 N GLN B 73 -7.873 -5.713 -3.326 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.726 -5.258 -4.092 1.00 0.37 C ATOM 2794 C GLN B 73 -6.839 -3.778 -4.487 1.00 0.36 C ATOM 2795 O GLN B 73 -5.901 -3.018 -4.258 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.540 -6.142 -5.326 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.402 -5.705 -6.227 1.00 0.50 C ATOM 2798 CD GLN B 73 -5.890 -5.020 -7.484 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -6.055 -5.657 -8.523 1.00 0.62 O ATOM 2800 NE2 GLN B 73 -6.169 -3.735 -7.382 1.00 0.41 N ATOM 0 H GLN B 73 -8.410 -6.450 -3.783 1.00 0.38 H new ATOM 0 HA GLN B 73 -5.846 -5.344 -3.455 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.362 -7.168 -5.003 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.466 -6.146 -5.902 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.748 -5.027 -5.678 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -4.804 -6.575 -6.500 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -6.016 -3.248 -6.499 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.538 -3.228 -8.186 1.00 0.41 H new ATOM 2809 N GLU B 74 -7.960 -3.368 -5.095 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.159 -1.966 -5.480 1.00 0.39 C ATOM 2811 C GLU B 74 -8.003 -1.057 -4.265 1.00 0.38 C ATOM 2812 O GLU B 74 -7.558 0.085 -4.379 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.545 -1.761 -6.107 1.00 0.44 C ATOM 2814 CG GLU B 74 -9.821 -2.640 -7.320 1.00 0.59 C ATOM 2815 CD GLU B 74 -9.122 -2.197 -8.589 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -7.875 -2.126 -8.605 1.00 2.18 O ATOM 2817 OE2 GLU B 74 -9.818 -1.931 -9.592 1.00 2.04 O ATOM 0 H GLU B 74 -8.739 -3.984 -5.330 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.402 -1.709 -6.221 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.305 -1.956 -5.351 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.648 -0.716 -6.399 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -9.516 -3.661 -7.090 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -10.896 -2.661 -7.501 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.354 -1.581 -3.100 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.234 -0.839 -1.863 1.00 0.36 C ATOM 2826 C TYR B 75 -6.783 -0.827 -1.383 1.00 0.34 C ATOM 2827 O TYR B 75 -6.307 0.162 -0.830 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.126 -1.440 -0.782 1.00 0.43 C ATOM 2829 CG TYR B 75 -9.032 -0.669 0.515 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -9.636 0.574 0.641 1.00 1.72 C ATOM 2831 CD2 TYR B 75 -8.312 -1.162 1.598 1.00 1.50 C ATOM 2832 CE1 TYR B 75 -9.524 1.306 1.802 1.00 2.09 C ATOM 2833 CE2 TYR B 75 -8.203 -0.436 2.769 1.00 1.86 C ATOM 2834 CZ TYR B 75 -8.809 0.798 2.865 1.00 1.84 C ATOM 2835 OH TYR B 75 -8.694 1.539 4.018 1.00 2.33 O ATOM 0 H TYR B 75 -8.726 -2.524 -2.990 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.555 0.185 -2.055 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.160 -1.447 -1.126 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -8.840 -2.478 -0.610 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -10.204 0.974 -0.186 1.00 1.72 H new ATOM 0 HD2 TYR B 75 -7.831 -2.126 1.523 1.00 1.50 H new ATOM 0 HE1 TYR B 75 -9.995 2.275 1.879 1.00 2.09 H new ATOM 0 HE2 TYR B 75 -7.646 -0.834 3.604 1.00 1.86 H new ATOM 0 HH TYR B 75 -7.785 1.450 4.375 1.00 2.33 H new ATOM 2845 N SER B 76 -6.084 -1.934 -1.590 1.00 0.35 N ATOM 2846 CA SER B 76 -4.671 -2.017 -1.242 1.00 0.36 C ATOM 2847 C SER B 76 -3.876 -1.055 -2.118 1.00 0.36 C ATOM 2848 O SER B 76 -2.878 -0.475 -1.693 1.00 0.41 O ATOM 2849 CB SER B 76 -4.165 -3.450 -1.426 1.00 0.41 C ATOM 2850 OG SER B 76 -4.958 -4.370 -0.691 1.00 1.21 O ATOM 0 H SER B 76 -6.470 -2.786 -1.996 1.00 0.35 H new ATOM 0 HA SER B 76 -4.539 -1.739 -0.196 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.184 -3.713 -2.484 1.00 0.41 H new ATOM 0 HB3 SER B 76 -3.127 -3.517 -1.099 1.00 0.41 H new ATOM 0 HG SER B 76 -5.856 -4.412 -1.081 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.371 -0.875 -3.334 1.00 0.35 N ATOM 2857 CA VAL B 77 -3.803 0.056 -4.296 1.00 0.36 C ATOM 2858 C VAL B 77 -4.112 1.482 -3.860 1.00 0.33 C ATOM 2859 O VAL B 77 -3.353 2.419 -4.110 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.389 -0.216 -5.702 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -4.098 0.919 -6.666 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -3.853 -1.528 -6.251 1.00 0.43 C ATOM 0 H VAL B 77 -5.187 -1.377 -3.683 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.722 -0.078 -4.340 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.472 -0.287 -5.599 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.527 0.687 -7.641 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.538 1.841 -6.286 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -3.020 1.045 -6.765 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.273 -1.707 -7.241 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -2.767 -1.476 -6.322 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.134 -2.343 -5.584 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.239 1.623 -3.191 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.642 2.885 -2.611 1.00 0.29 C ATOM 2874 C PHE B 78 -4.674 3.308 -1.518 1.00 0.27 C ATOM 2875 O PHE B 78 -4.149 4.421 -1.536 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.045 2.747 -2.034 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.493 3.942 -1.239 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.282 5.230 -1.704 1.00 1.23 C ATOM 2879 CD2 PHE B 78 -8.124 3.770 -0.023 1.00 1.18 C ATOM 2880 CE1 PHE B 78 -7.692 6.319 -0.969 1.00 1.24 C ATOM 2881 CE2 PHE B 78 -8.537 4.854 0.716 1.00 1.19 C ATOM 2882 CZ PHE B 78 -8.321 6.131 0.242 1.00 0.37 C ATOM 0 H PHE B 78 -5.901 0.863 -3.035 1.00 0.32 H new ATOM 0 HA PHE B 78 -5.636 3.649 -3.388 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -7.749 2.580 -2.850 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.081 1.864 -1.396 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -6.790 5.381 -2.654 1.00 1.23 H new ATOM 0 HD2 PHE B 78 -8.295 2.772 0.352 1.00 1.18 H new ATOM 0 HE1 PHE B 78 -7.521 7.318 -1.341 1.00 1.24 H new ATOM 0 HE2 PHE B 78 -9.029 4.705 1.666 1.00 1.19 H new ATOM 0 HZ PHE B 78 -8.645 6.984 0.820 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.448 2.410 -0.569 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.585 2.697 0.569 1.00 0.27 C ATOM 2894 C LEU B 79 -2.181 3.072 0.110 1.00 0.31 C ATOM 2895 O LEU B 79 -1.570 3.996 0.652 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.536 1.503 1.522 1.00 0.29 C ATOM 2897 CG LEU B 79 -4.898 1.025 2.037 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -4.710 0.021 3.161 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -5.752 2.202 2.497 1.00 0.30 C ATOM 0 H LEU B 79 -4.852 1.473 -0.565 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.005 3.549 1.103 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.045 0.673 1.014 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -2.914 1.766 2.377 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.423 0.534 1.218 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -5.684 -0.311 3.519 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.147 -0.836 2.793 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.163 0.489 3.980 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.713 1.835 2.858 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.240 2.730 3.301 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -5.914 2.883 1.661 1.00 0.30 H new ATOM 2911 N SER B 80 -1.675 2.373 -0.900 1.00 0.36 N ATOM 2912 CA SER B 80 -0.387 2.723 -1.472 1.00 0.47 C ATOM 2913 C SER B 80 -0.463 4.071 -2.154 1.00 0.37 C ATOM 2914 O SER B 80 0.418 4.893 -1.976 1.00 0.38 O ATOM 2915 CB SER B 80 0.085 1.674 -2.465 1.00 0.66 C ATOM 2916 OG SER B 80 -0.976 1.244 -3.298 1.00 0.84 O ATOM 0 H SER B 80 -2.133 1.571 -1.333 1.00 0.36 H new ATOM 0 HA SER B 80 0.333 2.769 -0.655 1.00 0.47 H new ATOM 0 HB2 SER B 80 0.888 2.084 -3.077 1.00 0.66 H new ATOM 0 HB3 SER B 80 0.498 0.820 -1.928 1.00 0.66 H new ATOM 0 HG SER B 80 -1.693 1.912 -3.285 1.00 0.84 H new ATOM 2922 N SER B 81 -1.526 4.292 -2.924 1.00 0.33 N ATOM 2923 CA SER B 81 -1.729 5.563 -3.606 1.00 0.30 C ATOM 2924 C SER B 81 -1.624 6.713 -2.610 1.00 0.24 C ATOM 2925 O SER B 81 -0.961 7.713 -2.873 1.00 0.26 O ATOM 2926 CB SER B 81 -3.092 5.582 -4.308 1.00 0.37 C ATOM 2927 OG SER B 81 -3.252 6.745 -5.103 1.00 1.22 O ATOM 0 H SER B 81 -2.260 3.604 -3.090 1.00 0.33 H new ATOM 0 HA SER B 81 -0.953 5.684 -4.362 1.00 0.30 H new ATOM 0 HB2 SER B 81 -3.192 4.696 -4.934 1.00 0.37 H new ATOM 0 HB3 SER B 81 -3.887 5.537 -3.563 1.00 0.37 H new ATOM 0 HG SER B 81 -4.130 6.726 -5.538 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.254 6.545 -1.450 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.175 7.534 -0.382 1.00 0.23 C ATOM 2935 C ILE B 82 -0.724 7.798 0.000 1.00 0.27 C ATOM 2936 O ILE B 82 -0.260 8.938 -0.023 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.912 7.071 0.886 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.367 6.713 0.575 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.831 8.151 1.953 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.149 6.264 1.790 1.00 0.23 C ATOM 0 H ILE B 82 -2.826 5.730 -1.227 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.645 8.439 -0.767 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.428 6.170 1.263 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.860 7.580 0.135 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.386 5.921 -0.173 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.355 7.817 2.849 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.786 8.346 2.195 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.294 9.065 1.581 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.172 6.026 1.497 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.679 5.379 2.218 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.160 7.063 2.531 1.00 0.23 H new ATOM 2952 N ALA B 83 -0.019 6.728 0.345 1.00 0.30 N ATOM 2953 CA ALA B 83 1.365 6.818 0.782 1.00 0.36 C ATOM 2954 C ALA B 83 2.256 7.390 -0.326 1.00 0.37 C ATOM 2955 O ALA B 83 3.207 8.116 -0.053 1.00 0.42 O ATOM 2956 CB ALA B 83 1.852 5.447 1.236 1.00 0.40 C ATOM 0 H ALA B 83 -0.390 5.778 0.329 1.00 0.30 H new ATOM 0 HA ALA B 83 1.424 7.503 1.627 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.889 5.519 1.563 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.235 5.097 2.063 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.781 4.743 0.407 1.00 0.40 H new ATOM 2962 N MET B 84 1.919 7.075 -1.572 1.00 0.37 N ATOM 2963 CA MET B 84 2.640 7.587 -2.734 1.00 0.43 C ATOM 2964 C MET B 84 2.451 9.087 -2.855 1.00 0.34 C ATOM 2965 O MET B 84 3.413 9.839 -2.960 1.00 0.37 O ATOM 2966 CB MET B 84 2.134 6.931 -4.024 1.00 0.64 C ATOM 2967 CG MET B 84 2.379 5.437 -4.103 1.00 0.44 C ATOM 2968 SD MET B 84 1.512 4.655 -5.482 1.00 1.00 S ATOM 2969 CE MET B 84 2.069 5.646 -6.869 1.00 1.26 C ATOM 0 H MET B 84 1.140 6.459 -1.806 1.00 0.37 H new ATOM 0 HA MET B 84 3.695 7.353 -2.594 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.064 7.117 -4.117 1.00 0.64 H new ATOM 0 HB3 MET B 84 2.616 7.412 -4.875 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.449 5.254 -4.202 1.00 0.44 H new ATOM 0 HG3 MET B 84 2.061 4.972 -3.170 1.00 0.44 H new ATOM 0 HE1 MET B 84 1.246 6.264 -7.228 1.00 1.26 H new ATOM 0 HE2 MET B 84 2.892 6.286 -6.552 1.00 1.26 H new ATOM 0 HE3 MET B 84 2.407 4.991 -7.672 1.00 1.26 H new ATOM 2979 N MET B 85 1.196 9.507 -2.838 1.00 0.33 N ATOM 2980 CA MET B 85 0.849 10.913 -2.991 1.00 0.35 C ATOM 2981 C MET B 85 1.390 11.725 -1.822 1.00 0.35 C ATOM 2982 O MET B 85 1.868 12.844 -2.004 1.00 0.42 O ATOM 2983 CB MET B 85 -0.668 11.066 -3.101 1.00 0.39 C ATOM 2984 CG MET B 85 -1.261 10.302 -4.273 1.00 1.36 C ATOM 2985 SD MET B 85 -0.774 10.973 -5.874 1.00 2.66 S ATOM 2986 CE MET B 85 -1.600 9.830 -6.979 1.00 3.35 C ATOM 0 H MET B 85 0.394 8.889 -2.719 1.00 0.33 H new ATOM 0 HA MET B 85 1.305 11.292 -3.906 1.00 0.35 H new ATOM 0 HB2 MET B 85 -1.130 10.718 -2.177 1.00 0.39 H new ATOM 0 HB3 MET B 85 -0.914 12.123 -3.202 1.00 0.39 H new ATOM 0 HG2 MET B 85 -0.951 9.259 -4.213 1.00 1.36 H new ATOM 0 HG3 MET B 85 -2.348 10.316 -4.195 1.00 1.36 H new ATOM 0 HE1 MET B 85 -1.396 10.111 -8.012 1.00 3.35 H new ATOM 0 HE2 MET B 85 -1.233 8.820 -6.798 1.00 3.35 H new ATOM 0 HE3 MET B 85 -2.675 9.863 -6.800 1.00 3.35 H new ATOM 2996 N SER B 86 1.318 11.153 -0.625 1.00 0.33 N ATOM 2997 CA SER B 86 1.908 11.764 0.555 1.00 0.39 C ATOM 2998 C SER B 86 3.420 11.895 0.371 1.00 0.43 C ATOM 2999 O SER B 86 4.021 12.906 0.737 1.00 0.57 O ATOM 3000 CB SER B 86 1.588 10.915 1.795 1.00 0.43 C ATOM 3001 OG SER B 86 2.068 11.518 2.988 1.00 1.25 O ATOM 0 H SER B 86 0.854 10.262 -0.449 1.00 0.33 H new ATOM 0 HA SER B 86 1.487 12.760 0.695 1.00 0.39 H new ATOM 0 HB2 SER B 86 0.510 10.772 1.869 1.00 0.43 H new ATOM 0 HB3 SER B 86 2.034 9.927 1.683 1.00 0.43 H new ATOM 0 HG SER B 86 1.844 10.950 3.755 1.00 1.25 H new ATOM 3007 N ASN B 87 4.013 10.872 -0.227 1.00 0.40 N ATOM 3008 CA ASN B 87 5.451 10.823 -0.469 1.00 0.51 C ATOM 3009 C ASN B 87 5.900 11.865 -1.492 1.00 0.44 C ATOM 3010 O ASN B 87 6.709 12.737 -1.177 1.00 0.53 O ATOM 3011 CB ASN B 87 5.824 9.412 -0.948 1.00 0.69 C ATOM 3012 CG ASN B 87 7.005 9.363 -1.905 1.00 1.43 C ATOM 3013 OD1 ASN B 87 6.985 8.604 -2.870 1.00 2.36 O ATOM 3014 ND2 ASN B 87 8.052 10.130 -1.638 1.00 1.49 N ATOM 0 H ASN B 87 3.511 10.049 -0.560 1.00 0.40 H new ATOM 0 HA ASN B 87 5.964 11.055 0.464 1.00 0.51 H new ATOM 0 HB2 ASN B 87 6.051 8.795 -0.079 1.00 0.69 H new ATOM 0 HB3 ASN B 87 4.957 8.967 -1.437 1.00 0.69 H new ATOM 0 HD21 ASN B 87 8.873 10.101 -2.242 1.00 1.49 H new ATOM 0 HD22 ASN B 87 8.037 10.750 -0.828 1.00 1.49 H new ATOM 3021 N GLU B 88 5.382 11.768 -2.708 1.00 0.37 N ATOM 3022 CA GLU B 88 5.848 12.611 -3.804 1.00 0.42 C ATOM 3023 C GLU B 88 5.555 14.079 -3.520 1.00 0.51 C ATOM 3024 O GLU B 88 6.228 14.973 -4.029 1.00 0.66 O ATOM 3025 CB GLU B 88 5.201 12.179 -5.122 1.00 0.48 C ATOM 3026 CG GLU B 88 5.222 10.679 -5.346 1.00 0.51 C ATOM 3027 CD GLU B 88 4.677 10.291 -6.700 1.00 0.91 C ATOM 3028 OE1 GLU B 88 3.449 10.344 -6.890 1.00 1.49 O ATOM 3029 OE2 GLU B 88 5.483 9.925 -7.577 1.00 1.74 O ATOM 0 H GLU B 88 4.640 11.116 -2.962 1.00 0.37 H new ATOM 0 HA GLU B 88 6.928 12.491 -3.892 1.00 0.42 H new ATOM 0 HB2 GLU B 88 4.168 12.526 -5.141 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.717 12.669 -5.948 1.00 0.48 H new ATOM 0 HG2 GLU B 88 6.245 10.315 -5.251 1.00 0.51 H new ATOM 0 HG3 GLU B 88 4.636 10.190 -4.568 1.00 0.51 H new ATOM 3036 N PHE B 89 4.549 14.321 -2.697 1.00 0.50 N ATOM 3037 CA PHE B 89 4.213 15.676 -2.286 1.00 0.63 C ATOM 3038 C PHE B 89 5.001 16.080 -1.042 1.00 0.66 C ATOM 3039 O PHE B 89 5.114 17.264 -0.728 1.00 0.79 O ATOM 3040 CB PHE B 89 2.706 15.794 -2.036 1.00 0.73 C ATOM 3041 CG PHE B 89 2.231 17.197 -1.780 1.00 1.18 C ATOM 3042 CD1 PHE B 89 2.054 18.082 -2.829 1.00 1.70 C ATOM 3043 CD2 PHE B 89 1.961 17.629 -0.492 1.00 2.16 C ATOM 3044 CE1 PHE B 89 1.618 19.372 -2.600 1.00 2.37 C ATOM 3045 CE2 PHE B 89 1.524 18.920 -0.256 1.00 2.79 C ATOM 3046 CZ PHE B 89 1.352 19.791 -1.312 1.00 2.70 C ATOM 0 H PHE B 89 3.950 13.598 -2.299 1.00 0.50 H new ATOM 0 HA PHE B 89 4.487 16.358 -3.091 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.174 15.394 -2.899 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.441 15.171 -1.182 1.00 0.73 H new ATOM 0 HD1 PHE B 89 2.259 17.760 -3.839 1.00 1.70 H new ATOM 0 HD2 PHE B 89 2.093 16.950 0.337 1.00 2.16 H new ATOM 0 HE1 PHE B 89 1.485 20.053 -3.428 1.00 2.37 H new ATOM 0 HE2 PHE B 89 1.318 19.246 0.753 1.00 2.79 H new ATOM 0 HZ PHE B 89 1.010 20.799 -1.131 1.00 2.70 H new ATOM 3056 N PHE B 90 5.560 15.102 -0.339 1.00 0.60 N ATOM 3057 CA PHE B 90 6.379 15.394 0.831 1.00 0.68 C ATOM 3058 C PHE B 90 7.657 16.080 0.381 1.00 0.68 C ATOM 3059 O PHE B 90 8.124 17.031 1.011 1.00 0.79 O ATOM 3060 CB PHE B 90 6.703 14.119 1.615 1.00 0.70 C ATOM 3061 CG PHE B 90 7.477 14.370 2.879 1.00 0.85 C ATOM 3062 CD1 PHE B 90 6.866 14.962 3.973 1.00 1.46 C ATOM 3063 CD2 PHE B 90 8.815 14.021 2.970 1.00 1.53 C ATOM 3064 CE1 PHE B 90 7.575 15.199 5.134 1.00 1.59 C ATOM 3065 CE2 PHE B 90 9.528 14.258 4.129 1.00 1.64 C ATOM 3066 CZ PHE B 90 8.906 14.847 5.212 1.00 1.21 C ATOM 0 H PHE B 90 5.463 14.110 -0.556 1.00 0.60 H new ATOM 0 HA PHE B 90 5.822 16.053 1.497 1.00 0.68 H new ATOM 0 HB2 PHE B 90 5.772 13.609 1.864 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.275 13.445 0.977 1.00 0.70 H new ATOM 0 HD1 PHE B 90 5.824 15.241 3.917 1.00 1.46 H new ATOM 0 HD2 PHE B 90 9.305 13.559 2.126 1.00 1.53 H new ATOM 0 HE1 PHE B 90 7.087 15.660 5.980 1.00 1.59 H new ATOM 0 HE2 PHE B 90 10.571 13.983 4.188 1.00 1.64 H new ATOM 0 HZ PHE B 90 9.462 15.032 6.120 1.00 1.21 H new ATOM 3076 N GLU B 91 8.209 15.596 -0.722 1.00 0.61 N ATOM 3077 CA GLU B 91 9.345 16.245 -1.344 1.00 0.72 C ATOM 3078 C GLU B 91 8.882 17.433 -2.182 1.00 0.77 C ATOM 3079 O GLU B 91 9.652 18.351 -2.469 1.00 0.95 O ATOM 3080 CB GLU B 91 10.114 15.239 -2.187 1.00 0.82 C ATOM 3081 CG GLU B 91 9.266 14.632 -3.273 1.00 0.92 C ATOM 3082 CD GLU B 91 9.791 13.303 -3.755 1.00 1.57 C ATOM 3083 OE1 GLU B 91 9.421 12.277 -3.157 1.00 2.25 O ATOM 3084 OE2 GLU B 91 10.573 13.278 -4.733 1.00 2.22 O ATOM 0 H GLU B 91 7.886 14.756 -1.202 1.00 0.61 H new ATOM 0 HA GLU B 91 10.013 16.624 -0.571 1.00 0.72 H new ATOM 0 HB2 GLU B 91 10.977 15.730 -2.636 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.497 14.447 -1.543 1.00 0.82 H new ATOM 0 HG2 GLU B 91 8.249 14.502 -2.903 1.00 0.92 H new ATOM 0 HG3 GLU B 91 9.213 15.323 -4.115 1.00 0.92 H new ATOM 3091 N GLY B 92 7.613 17.404 -2.567 1.00 0.71 N ATOM 3092 CA GLY B 92 7.016 18.515 -3.284 1.00 0.82 C ATOM 3093 C GLY B 92 6.790 18.170 -4.735 1.00 0.81 C ATOM 3094 O GLY B 92 5.766 18.516 -5.328 1.00 0.91 O ATOM 0 H GLY B 92 6.981 16.623 -2.394 1.00 0.71 H new ATOM 0 HA2 GLY B 92 6.067 18.783 -2.819 1.00 0.82 H new ATOM 0 HA3 GLY B 92 7.664 19.388 -3.212 1.00 0.82 H new ATOM 3098 N PHE B 93 7.758 17.477 -5.295 1.00 0.76 N ATOM 3099 CA PHE B 93 7.684 16.987 -6.654 1.00 0.78 C ATOM 3100 C PHE B 93 8.481 15.701 -6.740 1.00 0.69 C ATOM 3101 O PHE B 93 9.630 15.664 -6.298 1.00 0.82 O ATOM 3102 CB PHE B 93 8.236 18.022 -7.640 1.00 1.00 C ATOM 3103 CG PHE B 93 8.178 17.577 -9.075 1.00 1.67 C ATOM 3104 CD1 PHE B 93 6.992 17.651 -9.787 1.00 2.58 C ATOM 3105 CD2 PHE B 93 9.306 17.081 -9.708 1.00 2.41 C ATOM 3106 CE1 PHE B 93 6.932 17.239 -11.105 1.00 3.59 C ATOM 3107 CE2 PHE B 93 9.252 16.668 -11.024 1.00 3.46 C ATOM 3108 CZ PHE B 93 8.064 16.746 -11.724 1.00 3.90 C ATOM 0 H PHE B 93 8.626 17.236 -4.816 1.00 0.76 H new ATOM 0 HA PHE B 93 6.643 16.803 -6.920 1.00 0.78 H new ATOM 0 HB2 PHE B 93 7.674 18.950 -7.533 1.00 1.00 H new ATOM 0 HB3 PHE B 93 9.271 18.245 -7.379 1.00 1.00 H new ATOM 0 HD1 PHE B 93 6.104 18.035 -9.307 1.00 2.58 H new ATOM 0 HD2 PHE B 93 10.238 17.017 -9.166 1.00 2.41 H new ATOM 0 HE1 PHE B 93 6.002 17.302 -11.650 1.00 3.59 H new ATOM 0 HE2 PHE B 93 10.139 16.284 -11.506 1.00 3.46 H new ATOM 0 HZ PHE B 93 8.020 16.422 -12.753 1.00 3.90 H new ATOM 3118 N PRO B 94 7.879 14.632 -7.281 1.00 0.64 N ATOM 3119 CA PRO B 94 8.522 13.318 -7.361 1.00 0.61 C ATOM 3120 C PRO B 94 9.832 13.349 -8.142 1.00 0.71 C ATOM 3121 O PRO B 94 9.846 13.224 -9.366 1.00 0.90 O ATOM 3122 CB PRO B 94 7.494 12.447 -8.085 1.00 0.65 C ATOM 3123 CG PRO B 94 6.540 13.393 -8.726 1.00 0.84 C ATOM 3124 CD PRO B 94 6.525 14.617 -7.857 1.00 0.83 C ATOM 0 HA PRO B 94 8.790 12.948 -6.371 1.00 0.61 H new ATOM 0 HB2 PRO B 94 7.975 11.812 -8.829 1.00 0.65 H new ATOM 0 HB3 PRO B 94 6.980 11.787 -7.387 1.00 0.65 H new ATOM 0 HG2 PRO B 94 6.856 13.638 -9.740 1.00 0.84 H new ATOM 0 HG3 PRO B 94 5.545 12.954 -8.799 1.00 0.84 H new ATOM 0 HD2 PRO B 94 6.322 15.519 -8.434 1.00 0.83 H new ATOM 0 HD3 PRO B 94 5.759 14.554 -7.084 1.00 0.83 H new ATOM 3132 N ASP B 95 10.930 13.491 -7.420 1.00 0.71 N ATOM 3133 CA ASP B 95 12.247 13.577 -8.040 1.00 0.87 C ATOM 3134 C ASP B 95 13.009 12.281 -7.865 1.00 0.84 C ATOM 3135 O ASP B 95 14.151 12.148 -8.307 1.00 0.96 O ATOM 3136 CB ASP B 95 13.060 14.734 -7.462 1.00 1.12 C ATOM 3137 CG ASP B 95 13.201 15.888 -8.432 1.00 1.70 C ATOM 3138 OD1 ASP B 95 13.707 15.669 -9.554 1.00 2.40 O ATOM 3139 OD2 ASP B 95 12.828 17.025 -8.074 1.00 2.16 O ATOM 0 H ASP B 95 10.939 13.550 -6.402 1.00 0.71 H new ATOM 0 HA ASP B 95 12.094 13.760 -9.104 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.582 15.088 -6.549 1.00 1.12 H new ATOM 0 HB3 ASP B 95 14.051 14.374 -7.185 1.00 1.12 H new ATOM 3144 N LYS B 96 12.370 11.320 -7.223 1.00 0.81 N ATOM 3145 CA LYS B 96 12.959 10.004 -7.048 1.00 0.86 C ATOM 3146 C LYS B 96 12.712 9.204 -8.313 1.00 0.83 C ATOM 3147 O LYS B 96 13.353 8.190 -8.576 1.00 0.94 O ATOM 3148 CB LYS B 96 12.312 9.277 -5.874 1.00 0.97 C ATOM 3149 CG LYS B 96 11.900 10.175 -4.721 1.00 0.93 C ATOM 3150 CD LYS B 96 10.572 9.710 -4.154 1.00 0.65 C ATOM 3151 CE LYS B 96 9.433 10.094 -5.083 1.00 0.84 C ATOM 3152 NZ LYS B 96 8.331 9.111 -5.032 1.00 1.85 N ATOM 0 H LYS B 96 11.442 11.426 -6.813 1.00 0.81 H new ATOM 0 HA LYS B 96 14.026 10.109 -6.850 1.00 0.86 H new ATOM 0 HB2 LYS B 96 11.432 8.745 -6.234 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.008 8.526 -5.501 1.00 0.97 H new ATOM 0 HG2 LYS B 96 12.664 10.157 -3.944 1.00 0.93 H new ATOM 0 HG3 LYS B 96 11.818 11.207 -5.063 1.00 0.93 H new ATOM 0 HD2 LYS B 96 10.588 8.629 -4.016 1.00 0.65 H new ATOM 0 HD3 LYS B 96 10.414 10.155 -3.172 1.00 0.65 H new ATOM 0 HE2 LYS B 96 9.055 11.079 -4.808 1.00 0.84 H new ATOM 0 HE3 LYS B 96 9.806 10.170 -6.104 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 7.572 9.406 -5.679 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 8.686 8.176 -5.319 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 7.958 9.057 -4.063 1.00 1.85 H new ATOM 3166 N GLN B 97 11.770 9.706 -9.090 1.00 0.85 N ATOM 3167 CA GLN B 97 11.292 9.034 -10.281 1.00 1.00 C ATOM 3168 C GLN B 97 12.094 9.478 -11.489 1.00 1.03 C ATOM 3169 O GLN B 97 12.778 10.502 -11.446 1.00 1.07 O ATOM 3170 CB GLN B 97 9.829 9.407 -10.525 1.00 1.19 C ATOM 3171 CG GLN B 97 9.027 9.655 -9.262 1.00 1.20 C ATOM 3172 CD GLN B 97 8.692 8.400 -8.494 1.00 1.05 C ATOM 3173 OE1 GLN B 97 9.400 7.402 -8.554 1.00 1.71 O ATOM 3174 NE2 GLN B 97 7.604 8.457 -7.756 1.00 0.97 N ATOM 0 H GLN B 97 11.312 10.599 -8.909 1.00 0.85 H new ATOM 0 HA GLN B 97 11.397 7.959 -10.137 1.00 1.00 H new ATOM 0 HB2 GLN B 97 9.794 10.303 -11.145 1.00 1.19 H new ATOM 0 HB3 GLN B 97 9.353 8.607 -11.092 1.00 1.19 H new ATOM 0 HG2 GLN B 97 9.588 10.327 -8.613 1.00 1.20 H new ATOM 0 HG3 GLN B 97 8.101 10.166 -9.526 1.00 1.20 H new ATOM 0 HE21 GLN B 97 7.045 9.310 -7.737 1.00 0.97 H new ATOM 0 HE22 GLN B 97 7.320 7.648 -7.203 1.00 0.97 H new ATOM 3183 N PRO B 98 12.009 8.717 -12.591 1.00 1.26 N ATOM 3184 CA PRO B 98 12.506 9.168 -13.890 1.00 1.46 C ATOM 3185 C PRO B 98 11.613 10.255 -14.476 1.00 1.51 C ATOM 3186 O PRO B 98 11.874 10.783 -15.556 1.00 1.97 O ATOM 3187 CB PRO B 98 12.462 7.908 -14.757 1.00 1.83 C ATOM 3188 CG PRO B 98 11.439 7.033 -14.118 1.00 1.83 C ATOM 3189 CD PRO B 98 11.469 7.346 -12.646 1.00 1.53 C ATOM 0 HA PRO B 98 13.502 9.605 -13.825 1.00 1.46 H new ATOM 0 HB2 PRO B 98 12.190 8.146 -15.785 1.00 1.83 H new ATOM 0 HB3 PRO B 98 13.435 7.418 -14.790 1.00 1.83 H new ATOM 0 HG2 PRO B 98 10.450 7.224 -14.535 1.00 1.83 H new ATOM 0 HG3 PRO B 98 11.663 5.981 -14.296 1.00 1.83 H new ATOM 0 HD2 PRO B 98 10.474 7.290 -12.204 1.00 1.53 H new ATOM 0 HD3 PRO B 98 12.100 6.645 -12.100 1.00 1.53 H new ATOM 3197 N ARG B 99 10.545 10.566 -13.733 1.00 1.37 N ATOM 3198 CA ARG B 99 9.624 11.639 -14.067 1.00 1.57 C ATOM 3199 C ARG B 99 9.016 11.437 -15.447 1.00 1.88 C ATOM 3200 O ARG B 99 8.726 12.391 -16.170 1.00 2.42 O ATOM 3201 CB ARG B 99 10.362 12.960 -13.949 1.00 2.01 C ATOM 3202 CG ARG B 99 10.617 13.369 -12.506 1.00 1.98 C ATOM 3203 CD ARG B 99 11.808 14.304 -12.395 1.00 2.58 C ATOM 3204 NE ARG B 99 11.647 15.494 -13.226 1.00 3.49 N ATOM 3205 CZ ARG B 99 12.213 16.674 -12.975 1.00 4.43 C ATOM 3206 NH1 ARG B 99 12.948 16.860 -11.882 1.00 4.69 N ATOM 3207 NH2 ARG B 99 12.027 17.681 -13.816 1.00 5.41 N ATOM 0 H ARG B 99 10.300 10.070 -12.876 1.00 1.37 H new ATOM 0 HA ARG B 99 8.786 11.640 -13.370 1.00 1.57 H new ATOM 0 HB2 ARG B 99 11.314 12.887 -14.474 1.00 2.01 H new ATOM 0 HB3 ARG B 99 9.784 13.739 -14.445 1.00 2.01 H new ATOM 0 HG2 ARG B 99 9.730 13.858 -12.103 1.00 1.98 H new ATOM 0 HG3 ARG B 99 10.793 12.480 -11.900 1.00 1.98 H new ATOM 0 HD2 ARG B 99 11.939 14.603 -11.355 1.00 2.58 H new ATOM 0 HD3 ARG B 99 12.714 13.775 -12.691 1.00 2.58 H new ATOM 0 HE ARG B 99 11.060 15.417 -14.057 1.00 3.49 H new ATOM 0 HH11 ARG B 99 13.085 16.094 -11.223 1.00 4.69 H new ATOM 0 HH12 ARG B 99 13.375 17.769 -11.703 1.00 4.69 H new ATOM 0 HH21 ARG B 99 11.454 17.550 -14.649 1.00 5.41 H new ATOM 0 HH22 ARG B 99 12.457 18.587 -13.630 1.00 5.41 H new ATOM 3221 N LYS B 100 8.810 10.173 -15.777 1.00 2.16 N ATOM 3222 CA LYS B 100 8.233 9.765 -17.044 1.00 2.96 C ATOM 3223 C LYS B 100 7.762 8.325 -16.918 1.00 3.79 C ATOM 3224 O LYS B 100 6.615 8.005 -17.226 1.00 4.60 O ATOM 3225 CB LYS B 100 9.260 9.889 -18.174 1.00 3.58 C ATOM 3226 CG LYS B 100 8.731 9.448 -19.530 1.00 4.14 C ATOM 3227 CD LYS B 100 9.813 9.500 -20.593 1.00 5.01 C ATOM 3228 CE LYS B 100 9.304 8.994 -21.932 1.00 5.79 C ATOM 3229 NZ LYS B 100 10.375 8.975 -22.961 1.00 6.34 N ATOM 0 H LYS B 100 9.042 9.392 -15.163 1.00 2.16 H new ATOM 0 HA LYS B 100 7.392 10.414 -17.287 1.00 2.96 H new ATOM 0 HB2 LYS B 100 9.589 10.926 -18.242 1.00 3.58 H new ATOM 0 HB3 LYS B 100 10.137 9.292 -17.924 1.00 3.58 H new ATOM 0 HG2 LYS B 100 8.340 8.433 -19.457 1.00 4.14 H new ATOM 0 HG3 LYS B 100 7.900 10.089 -19.824 1.00 4.14 H new ATOM 0 HD2 LYS B 100 10.169 10.525 -20.702 1.00 5.01 H new ATOM 0 HD3 LYS B 100 10.665 8.899 -20.276 1.00 5.01 H new ATOM 0 HE2 LYS B 100 8.900 7.989 -21.810 1.00 5.79 H new ATOM 0 HE3 LYS B 100 8.485 9.628 -22.272 1.00 5.79 H new ATOM 0 HZ1 LYS B 100 9.987 8.624 -23.860 1.00 6.34 H new ATOM 0 HZ2 LYS B 100 10.744 9.938 -23.096 1.00 6.34 H new ATOM 0 HZ3 LYS B 100 11.145 8.350 -22.649 1.00 6.34 H new ATOM 3243 N LYS B 101 8.675 7.473 -16.448 1.00 3.82 N ATOM 3244 CA LYS B 101 8.392 6.067 -16.180 1.00 4.81 C ATOM 3245 C LYS B 101 7.923 5.355 -17.446 1.00 5.78 C ATOM 3246 O LYS B 101 6.704 5.142 -17.601 1.00 6.45 O ATOM 3247 CB LYS B 101 7.348 5.926 -15.065 1.00 5.01 C ATOM 3248 CG LYS B 101 7.843 6.376 -13.697 1.00 4.42 C ATOM 3249 CD LYS B 101 6.711 6.394 -12.679 1.00 5.04 C ATOM 3250 CE LYS B 101 7.199 6.734 -11.280 1.00 4.78 C ATOM 3251 NZ LYS B 101 8.056 5.666 -10.699 1.00 5.64 N ATOM 3252 OXT LYS B 101 8.780 5.029 -18.296 1.00 6.09 O ATOM 0 H LYS B 101 9.637 7.744 -16.242 1.00 3.82 H new ATOM 0 HA LYS B 101 9.316 5.595 -15.847 1.00 4.81 H new ATOM 0 HB2 LYS B 101 6.466 6.508 -15.331 1.00 5.01 H new ATOM 0 HB3 LYS B 101 7.035 4.884 -15.003 1.00 5.01 H new ATOM 0 HG2 LYS B 101 8.632 5.707 -13.355 1.00 4.42 H new ATOM 0 HG3 LYS B 101 8.281 7.371 -13.775 1.00 4.42 H new ATOM 0 HD2 LYS B 101 5.960 7.122 -12.987 1.00 5.04 H new ATOM 0 HD3 LYS B 101 6.223 5.420 -12.664 1.00 5.04 H new ATOM 0 HE2 LYS B 101 7.760 7.668 -11.312 1.00 4.78 H new ATOM 0 HE3 LYS B 101 6.340 6.900 -10.630 1.00 4.78 H new ATOM 0 HZ1 LYS B 101 7.657 5.357 -9.790 1.00 5.64 H new ATOM 0 HZ2 LYS B 101 8.095 4.858 -11.353 1.00 5.64 H new ATOM 0 HZ3 LYS B 101 9.016 6.035 -10.548 1.00 5.64 H new TER 3266 LYS B 101