USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 917 hydrogens (8 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 NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD Set 1.1: A 14 LYS NZ :NH3+ -151:sc= -0.213 (180deg=-1.09) USER MOD Set 1.2: A 77 GLN : amide:sc= -1.71! K(o=-1.9!,f=-0.27) USER MOD Set 2.1: A 63 THR OG1 : rot 13:sc=-0.00923 USER MOD Set 2.2: A 75 SER OG : rot 17:sc= 1.43 USER MOD Set 3.1: A 60 LYS NZ :NH3+ 162:sc=-0.00891 (180deg=-0.243) USER MOD Set 3.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 48 SER OG : rot 151:sc= -1.71! USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 51 ASN : amide:sc= -1.59! C(o=-3.3!,f=-8.5!) USER MOD Set 5.1: A 29 THR OG1 : rot 151:sc= -2.15! USER MOD Set 5.2: A 32 CYS SG : rot 180:sc= -0.37! USER MOD Set 5.3: A 34 MET CE :methyl 167:sc= 0 (180deg=-0.294) USER MOD Set 6.1: A 19 ASN : amide:sc= -1.56! C(o=-1.6!,f=-9.7!) USER MOD Set 6.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -122:sc= -4.62! (180deg=-7.57!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -67:sc= 0.783 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -160:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= -0.0323 (180deg=-0.318) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0457) USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= -9.8! (180deg=-9.89!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.123 K(o=-0.12,f=-2.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.618 K(o=-0.62,f=-3.7) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -85:sc= 0.3 USER MOD Single : A 78 THR OG1 : rot -8:sc= -1.57! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -6.19! C(o=-6.2!,f=-6.1!) USER MOD Single : A 86 GLN : amide:sc= -0.0236 K(o=-0.024,f=-1.8!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 161:sc=-0.00654 (180deg=-0.337) USER MOD Single : A 98 LYS NZ :NH3+ 153:sc= -0.103 (180deg=-0.523) USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= -0.172 (180deg=-0.917) USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.208) USER MOD Single : B 1 SER N :NH3+ -155:sc= 0.128 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0.0806 USER MOD Single : B 5 SER OG : rot -64:sc= -0.758 USER MOD Single : B 8 HIS : no HE2:sc= -1.96 K(o=-2,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 85.661 15.560 -10.771 1.00 0.00 N ATOM 2 CA LEU A 1 86.403 14.269 -10.856 1.00 0.00 C ATOM 3 C LEU A 1 87.161 14.036 -9.550 1.00 0.00 C ATOM 4 O LEU A 1 88.339 13.737 -9.546 1.00 0.00 O ATOM 5 CB LEU A 1 87.393 14.319 -12.026 1.00 0.00 C ATOM 6 CG LEU A 1 86.652 14.156 -13.365 1.00 0.00 C ATOM 7 CD1 LEU A 1 86.056 12.739 -13.492 1.00 0.00 C ATOM 8 CD2 LEU A 1 85.533 15.203 -13.464 1.00 0.00 C ATOM 0 H1 LEU A 1 84.646 15.388 -10.921 1.00 0.00 H new ATOM 0 H2 LEU A 1 85.806 15.982 -9.832 1.00 0.00 H new ATOM 0 H3 LEU A 1 86.013 16.211 -11.501 1.00 0.00 H new ATOM 0 HA LEU A 1 85.698 13.453 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 1 87.932 15.267 -12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 1 88.136 13.529 -11.916 1.00 0.00 H new ATOM 0 HG LEU A 1 87.364 14.303 -14.177 1.00 0.00 H new ATOM 0 HD11 LEU A 1 85.537 12.647 -14.446 1.00 0.00 H new ATOM 0 HD12 LEU A 1 86.857 12.002 -13.442 1.00 0.00 H new ATOM 0 HD13 LEU A 1 85.352 12.566 -12.678 1.00 0.00 H new ATOM 0 HD21 LEU A 1 85.009 15.087 -14.413 1.00 0.00 H new ATOM 0 HD22 LEU A 1 84.831 15.064 -12.642 1.00 0.00 H new ATOM 0 HD23 LEU A 1 85.964 16.203 -13.408 1.00 0.00 H new ATOM 22 N LYS A 2 86.489 14.168 -8.442 1.00 0.00 N ATOM 23 CA LYS A 2 87.152 13.955 -7.133 1.00 0.00 C ATOM 24 C LYS A 2 87.486 12.471 -6.966 1.00 0.00 C ATOM 25 O LYS A 2 87.818 12.017 -5.889 1.00 0.00 O ATOM 26 CB LYS A 2 86.203 14.398 -6.017 1.00 0.00 C ATOM 27 CG LYS A 2 86.205 15.926 -5.917 1.00 0.00 C ATOM 28 CD LYS A 2 85.911 16.543 -7.288 1.00 0.00 C ATOM 29 CE LYS A 2 85.517 18.012 -7.117 1.00 0.00 C ATOM 30 NZ LYS A 2 85.178 18.593 -8.446 1.00 0.00 N ATOM 0 H LYS A 2 85.501 14.416 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 2 88.072 14.537 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 2 85.194 14.038 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 2 86.513 13.961 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 2 85.457 16.252 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 2 87.172 16.273 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 2 86.789 16.464 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 2 85.107 15.995 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 2 84.664 18.095 -6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 2 86.337 18.569 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 84.910 19.591 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 86.004 18.527 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 84.383 18.067 -8.862 1.00 0.00 H new ATOM 44 N THR A 3 87.400 11.709 -8.024 1.00 0.00 N ATOM 45 CA THR A 3 87.711 10.253 -7.924 1.00 0.00 C ATOM 46 C THR A 3 88.171 9.739 -9.287 1.00 0.00 C ATOM 47 O THR A 3 87.597 8.826 -9.847 1.00 0.00 O ATOM 48 CB THR A 3 86.457 9.493 -7.486 1.00 0.00 C ATOM 49 OG1 THR A 3 86.648 8.102 -7.702 1.00 0.00 O ATOM 50 CG2 THR A 3 85.255 9.978 -8.296 1.00 0.00 C ATOM 0 H THR A 3 87.128 12.032 -8.953 1.00 0.00 H new ATOM 0 HA THR A 3 88.503 10.098 -7.191 1.00 0.00 H new ATOM 0 HB THR A 3 86.274 9.674 -6.427 1.00 0.00 H new ATOM 0 HG1 THR A 3 86.707 7.925 -8.664 1.00 0.00 H new ATOM 0 HG21 THR A 3 84.363 9.436 -7.983 1.00 0.00 H new ATOM 0 HG22 THR A 3 85.109 11.045 -8.127 1.00 0.00 H new ATOM 0 HG23 THR A 3 85.435 9.800 -9.356 1.00 0.00 H new ATOM 58 N TYR A 4 89.206 10.323 -9.823 1.00 0.00 N ATOM 59 CA TYR A 4 89.720 9.882 -11.152 1.00 0.00 C ATOM 60 C TYR A 4 90.719 8.738 -10.962 1.00 0.00 C ATOM 61 O TYR A 4 91.651 8.837 -10.189 1.00 0.00 O ATOM 62 CB TYR A 4 90.418 11.060 -11.838 1.00 0.00 C ATOM 63 CG TYR A 4 90.557 10.774 -13.315 1.00 0.00 C ATOM 64 CD1 TYR A 4 91.517 9.860 -13.761 1.00 0.00 C ATOM 65 CD2 TYR A 4 89.725 11.420 -14.233 1.00 0.00 C ATOM 66 CE1 TYR A 4 91.646 9.594 -15.129 1.00 0.00 C ATOM 67 CE2 TYR A 4 89.853 11.156 -15.601 1.00 0.00 C ATOM 68 CZ TYR A 4 90.814 10.242 -16.050 1.00 0.00 C ATOM 69 OH TYR A 4 90.941 9.980 -17.399 1.00 0.00 O ATOM 0 H TYR A 4 89.722 11.092 -9.396 1.00 0.00 H new ATOM 0 HA TYR A 4 88.890 9.537 -11.768 1.00 0.00 H new ATOM 0 HB2 TYR A 4 89.844 11.974 -11.686 1.00 0.00 H new ATOM 0 HB3 TYR A 4 91.400 11.223 -11.394 1.00 0.00 H new ATOM 0 HD1 TYR A 4 92.158 9.360 -13.050 1.00 0.00 H new ATOM 0 HD2 TYR A 4 88.983 12.124 -13.886 1.00 0.00 H new ATOM 0 HE1 TYR A 4 92.387 8.889 -15.474 1.00 0.00 H new ATOM 0 HE2 TYR A 4 89.211 11.657 -16.310 1.00 0.00 H new ATOM 0 HH TYR A 4 90.287 10.512 -17.899 1.00 0.00 H new ATOM 79 N GLY A 5 90.535 7.654 -11.665 1.00 0.00 N ATOM 80 CA GLY A 5 91.477 6.508 -11.526 1.00 0.00 C ATOM 81 C GLY A 5 91.230 5.797 -10.196 1.00 0.00 C ATOM 82 O GLY A 5 92.154 5.460 -9.482 1.00 0.00 O ATOM 0 H GLY A 5 89.774 7.513 -12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 5 91.341 5.811 -12.353 1.00 0.00 H new ATOM 0 HA3 GLY A 5 92.506 6.863 -11.574 1.00 0.00 H new ATOM 86 N VAL A 6 89.986 5.570 -9.861 1.00 0.00 N ATOM 87 CA VAL A 6 89.647 4.880 -8.576 1.00 0.00 C ATOM 88 C VAL A 6 88.705 3.709 -8.865 1.00 0.00 C ATOM 89 O VAL A 6 87.739 3.844 -9.591 1.00 0.00 O ATOM 90 CB VAL A 6 88.953 5.873 -7.643 1.00 0.00 C ATOM 91 CG1 VAL A 6 88.496 5.151 -6.377 1.00 0.00 C ATOM 92 CG2 VAL A 6 89.931 6.989 -7.270 1.00 0.00 C ATOM 0 H VAL A 6 89.181 5.835 -10.428 1.00 0.00 H new ATOM 0 HA VAL A 6 90.557 4.508 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 6 88.087 6.301 -8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.001 5.859 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 6 87.799 4.356 -6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 6 89.361 4.722 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.438 7.698 -6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 6 90.797 6.560 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.256 7.505 -8.173 1.00 0.00 H new ATOM 102 N SER A 7 88.978 2.559 -8.308 1.00 0.00 N ATOM 103 CA SER A 7 88.097 1.383 -8.557 1.00 0.00 C ATOM 104 C SER A 7 86.885 1.442 -7.627 1.00 0.00 C ATOM 105 O SER A 7 86.981 1.190 -6.445 1.00 0.00 O ATOM 106 CB SER A 7 88.875 0.097 -8.297 1.00 0.00 C ATOM 107 OG SER A 7 90.196 0.235 -8.803 1.00 0.00 O ATOM 0 H SER A 7 89.772 2.384 -7.692 1.00 0.00 H new ATOM 0 HA SER A 7 87.759 1.400 -9.593 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.903 -0.114 -7.228 1.00 0.00 H new ATOM 0 HB3 SER A 7 88.376 -0.746 -8.776 1.00 0.00 H new ATOM 0 HG SER A 7 90.591 -0.652 -8.931 1.00 0.00 H new ATOM 113 N PHE A 8 85.749 1.766 -8.165 1.00 0.00 N ATOM 114 CA PHE A 8 84.507 1.849 -7.341 1.00 0.00 C ATOM 115 C PHE A 8 83.805 0.484 -7.340 1.00 0.00 C ATOM 116 O PHE A 8 83.961 -0.305 -8.250 1.00 0.00 O ATOM 117 CB PHE A 8 83.581 2.897 -7.964 1.00 0.00 C ATOM 118 CG PHE A 8 83.642 2.786 -9.469 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.594 3.520 -10.188 1.00 0.00 C ATOM 120 CD2 PHE A 8 82.749 1.947 -10.146 1.00 0.00 C ATOM 121 CE1 PHE A 8 84.651 3.415 -11.583 1.00 0.00 C ATOM 122 CE2 PHE A 8 82.806 1.842 -11.541 1.00 0.00 C ATOM 123 CZ PHE A 8 83.757 2.577 -12.259 1.00 0.00 C ATOM 0 H PHE A 8 85.621 1.981 -9.154 1.00 0.00 H new ATOM 0 HA PHE A 8 84.753 2.127 -6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.558 2.747 -7.618 1.00 0.00 H new ATOM 0 HB3 PHE A 8 83.881 3.897 -7.649 1.00 0.00 H new ATOM 0 HD1 PHE A 8 85.284 4.167 -9.666 1.00 0.00 H new ATOM 0 HD2 PHE A 8 82.015 1.380 -9.592 1.00 0.00 H new ATOM 0 HE1 PHE A 8 85.385 3.981 -12.137 1.00 0.00 H new ATOM 0 HE2 PHE A 8 82.117 1.195 -12.063 1.00 0.00 H new ATOM 0 HZ PHE A 8 83.801 2.497 -13.335 1.00 0.00 H new ATOM 133 N PHE A 9 83.022 0.210 -6.329 1.00 0.00 N ATOM 134 CA PHE A 9 82.288 -1.094 -6.260 1.00 0.00 C ATOM 135 C PHE A 9 80.885 -0.826 -5.711 1.00 0.00 C ATOM 136 O PHE A 9 80.720 -0.120 -4.738 1.00 0.00 O ATOM 137 CB PHE A 9 83.027 -2.060 -5.324 1.00 0.00 C ATOM 138 CG PHE A 9 84.203 -2.681 -6.044 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.374 -1.940 -6.239 1.00 0.00 C ATOM 140 CD2 PHE A 9 84.123 -3.999 -6.513 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.464 -2.515 -6.901 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.214 -4.575 -7.175 1.00 0.00 C ATOM 143 CZ PHE A 9 86.385 -3.832 -7.369 1.00 0.00 C ATOM 0 H PHE A 9 82.857 0.837 -5.541 1.00 0.00 H new ATOM 0 HA PHE A 9 82.229 -1.542 -7.252 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.373 -1.528 -4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.347 -2.840 -4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.436 -0.924 -5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.219 -4.571 -6.364 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.367 -1.942 -7.051 1.00 0.00 H new ATOM 0 HE2 PHE A 9 85.153 -5.591 -7.536 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.227 -4.275 -7.880 1.00 0.00 H new ATOM 153 N LEU A 10 79.872 -1.373 -6.324 1.00 0.00 N ATOM 154 CA LEU A 10 78.489 -1.126 -5.827 1.00 0.00 C ATOM 155 C LEU A 10 78.227 -1.961 -4.582 1.00 0.00 C ATOM 156 O LEU A 10 78.066 -3.164 -4.641 1.00 0.00 O ATOM 157 CB LEU A 10 77.471 -1.499 -6.911 1.00 0.00 C ATOM 158 CG LEU A 10 76.038 -1.119 -6.464 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.755 0.347 -6.792 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.024 -1.995 -7.206 1.00 0.00 C ATOM 0 H LEU A 10 79.941 -1.977 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 10 78.388 -0.069 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.716 -0.985 -7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.523 -2.569 -7.114 1.00 0.00 H new ATOM 0 HG LEU A 10 75.953 -1.273 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.745 0.603 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.472 0.981 -6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.847 0.504 -7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.015 -1.729 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.124 -1.837 -8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.211 -3.044 -6.975 1.00 0.00 H new ATOM 172 N VAL A 11 78.146 -1.306 -3.459 1.00 0.00 N ATOM 173 CA VAL A 11 77.848 -2.000 -2.178 1.00 0.00 C ATOM 174 C VAL A 11 76.624 -1.318 -1.588 1.00 0.00 C ATOM 175 O VAL A 11 76.378 -0.158 -1.853 1.00 0.00 O ATOM 176 CB VAL A 11 79.037 -1.872 -1.220 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.313 -2.356 -1.919 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.210 -0.409 -0.793 1.00 0.00 C ATOM 0 H VAL A 11 78.277 -0.298 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 11 77.666 -3.062 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 11 78.851 -2.483 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.158 -2.265 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.194 -3.399 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.495 -1.749 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.057 -0.326 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.390 0.208 -1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.305 -0.067 -0.290 1.00 0.00 H new ATOM 188 N LYS A 12 75.846 -2.013 -0.805 1.00 0.00 N ATOM 189 CA LYS A 12 74.624 -1.385 -0.215 1.00 0.00 C ATOM 190 C LYS A 12 74.870 -1.131 1.269 1.00 0.00 C ATOM 191 O LYS A 12 75.532 -1.894 1.943 1.00 0.00 O ATOM 192 CB LYS A 12 73.417 -2.325 -0.425 1.00 0.00 C ATOM 193 CG LYS A 12 72.559 -1.825 -1.598 1.00 0.00 C ATOM 194 CD LYS A 12 71.590 -2.923 -2.030 1.00 0.00 C ATOM 195 CE LYS A 12 70.835 -2.472 -3.281 1.00 0.00 C ATOM 196 NZ LYS A 12 71.765 -2.463 -4.446 1.00 0.00 N ATOM 0 H LYS A 12 76.001 -2.988 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 12 74.407 -0.435 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.765 -3.338 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.816 -2.367 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 12 72.006 -0.934 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.198 -1.541 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.135 -3.845 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.887 -3.140 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 12 69.998 -3.143 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.417 -1.477 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.216 -2.476 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.351 -1.604 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.378 -3.302 -4.407 1.00 0.00 H new ATOM 210 N GLU A 13 74.344 -0.045 1.768 1.00 0.00 N ATOM 211 CA GLU A 13 74.534 0.314 3.206 1.00 0.00 C ATOM 212 C GLU A 13 73.188 0.245 3.919 1.00 0.00 C ATOM 213 O GLU A 13 72.142 0.280 3.300 1.00 0.00 O ATOM 214 CB GLU A 13 75.085 1.747 3.300 1.00 0.00 C ATOM 215 CG GLU A 13 76.618 1.737 3.175 1.00 0.00 C ATOM 216 CD GLU A 13 77.247 1.425 4.537 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.618 0.722 5.311 1.00 0.00 O ATOM 218 OE2 GLU A 13 78.346 1.895 4.783 1.00 0.00 O ATOM 0 H GLU A 13 73.783 0.619 1.234 1.00 0.00 H new ATOM 0 HA GLU A 13 75.234 -0.380 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.653 2.363 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.793 2.195 4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.928 0.992 2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.969 2.704 2.815 1.00 0.00 H new ATOM 225 N LYS A 14 73.214 0.158 5.220 1.00 0.00 N ATOM 226 CA LYS A 14 71.950 0.097 6.011 1.00 0.00 C ATOM 227 C LYS A 14 71.810 1.394 6.810 1.00 0.00 C ATOM 228 O LYS A 14 72.396 1.558 7.862 1.00 0.00 O ATOM 229 CB LYS A 14 72.012 -1.103 6.974 1.00 0.00 C ATOM 230 CG LYS A 14 71.527 -2.377 6.268 1.00 0.00 C ATOM 231 CD LYS A 14 72.249 -2.543 4.922 1.00 0.00 C ATOM 232 CE LYS A 14 72.178 -4.007 4.475 1.00 0.00 C ATOM 233 NZ LYS A 14 72.903 -4.862 5.457 1.00 0.00 N ATOM 0 H LYS A 14 74.068 0.126 5.777 1.00 0.00 H new ATOM 0 HA LYS A 14 71.094 -0.021 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 14 73.033 -1.242 7.328 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.394 -0.907 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 14 71.714 -3.246 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.450 -2.326 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 14 71.790 -1.901 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 14 73.289 -2.231 5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 14 71.138 -4.325 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 14 72.619 -4.118 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.284 -5.700 4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 73.684 -4.320 5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 72.247 -5.163 6.206 1.00 0.00 H new ATOM 247 N MET A 15 71.029 2.308 6.317 1.00 0.00 N ATOM 248 CA MET A 15 70.826 3.595 7.034 1.00 0.00 C ATOM 249 C MET A 15 69.986 3.314 8.293 1.00 0.00 C ATOM 250 O MET A 15 69.280 2.332 8.349 1.00 0.00 O ATOM 251 CB MET A 15 70.128 4.599 6.084 1.00 0.00 C ATOM 252 CG MET A 15 70.999 5.845 5.877 1.00 0.00 C ATOM 253 SD MET A 15 71.323 6.631 7.476 1.00 0.00 S ATOM 254 CE MET A 15 72.823 7.524 6.995 1.00 0.00 C ATOM 0 H MET A 15 70.517 2.219 5.439 1.00 0.00 H new ATOM 0 HA MET A 15 71.775 4.036 7.340 1.00 0.00 H new ATOM 0 HB2 MET A 15 69.932 4.122 5.123 1.00 0.00 H new ATOM 0 HB3 MET A 15 69.163 4.889 6.499 1.00 0.00 H new ATOM 0 HG2 MET A 15 71.939 5.569 5.399 1.00 0.00 H new ATOM 0 HG3 MET A 15 70.496 6.546 5.211 1.00 0.00 H new ATOM 0 HE1 MET A 15 73.200 8.088 7.848 1.00 0.00 H new ATOM 0 HE2 MET A 15 73.581 6.812 6.667 1.00 0.00 H new ATOM 0 HE3 MET A 15 72.592 8.210 6.180 1.00 0.00 H new ATOM 264 N LYS A 16 70.110 4.153 9.303 1.00 0.00 N ATOM 265 CA LYS A 16 69.379 3.972 10.616 1.00 0.00 C ATOM 266 C LYS A 16 68.813 2.552 10.769 1.00 0.00 C ATOM 267 O LYS A 16 69.367 1.726 11.468 1.00 0.00 O ATOM 268 CB LYS A 16 68.244 5.009 10.756 1.00 0.00 C ATOM 269 CG LYS A 16 68.585 6.293 9.964 1.00 0.00 C ATOM 270 CD LYS A 16 67.966 6.237 8.544 1.00 0.00 C ATOM 271 CE LYS A 16 66.629 6.989 8.519 1.00 0.00 C ATOM 272 NZ LYS A 16 65.848 6.570 7.322 1.00 0.00 N ATOM 0 H LYS A 16 70.705 4.981 9.273 1.00 0.00 H new ATOM 0 HA LYS A 16 70.108 4.128 11.411 1.00 0.00 H new ATOM 0 HB2 LYS A 16 67.309 4.586 10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 16 68.093 5.252 11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 16 68.209 7.166 10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 16 69.667 6.406 9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 16 68.653 6.678 7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 16 67.814 5.200 8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 16 66.064 6.779 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 16 66.804 8.064 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 64.997 7.162 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 66.433 6.681 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.568 5.573 7.422 1.00 0.00 H new ATOM 286 N GLY A 17 67.718 2.259 10.120 1.00 0.00 N ATOM 287 CA GLY A 17 67.139 0.895 10.237 1.00 0.00 C ATOM 288 C GLY A 17 66.056 0.672 9.178 1.00 0.00 C ATOM 289 O GLY A 17 65.272 -0.250 9.281 1.00 0.00 O ATOM 0 H GLY A 17 67.204 2.902 9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 17 67.926 0.150 10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 17 66.715 0.759 11.232 1.00 0.00 H new ATOM 293 N LYS A 18 65.992 1.490 8.157 1.00 0.00 N ATOM 294 CA LYS A 18 64.929 1.257 7.125 1.00 0.00 C ATOM 295 C LYS A 18 65.054 -0.178 6.607 1.00 0.00 C ATOM 296 O LYS A 18 66.126 -0.643 6.279 1.00 0.00 O ATOM 297 CB LYS A 18 65.035 2.257 5.936 1.00 0.00 C ATOM 298 CG LYS A 18 66.283 3.125 6.052 1.00 0.00 C ATOM 299 CD LYS A 18 67.540 2.273 5.815 1.00 0.00 C ATOM 300 CE LYS A 18 67.834 2.155 4.317 1.00 0.00 C ATOM 301 NZ LYS A 18 69.157 1.502 4.127 1.00 0.00 N ATOM 0 H LYS A 18 66.608 2.286 7.993 1.00 0.00 H new ATOM 0 HA LYS A 18 63.958 1.415 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 18 65.059 1.706 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 18 64.149 2.892 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 18 66.241 3.936 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 18 66.326 3.584 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 18 68.392 2.722 6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 18 67.400 1.281 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 18 67.054 1.573 3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 18 67.833 3.142 3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 69.376 1.450 3.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 69.891 2.057 4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 69.130 0.541 4.525 1.00 0.00 H new ATOM 315 N ASN A 19 63.961 -0.877 6.505 1.00 0.00 N ATOM 316 CA ASN A 19 64.028 -2.263 5.977 1.00 0.00 C ATOM 317 C ASN A 19 64.690 -2.205 4.606 1.00 0.00 C ATOM 318 O ASN A 19 65.039 -3.208 4.016 1.00 0.00 O ATOM 319 CB ASN A 19 62.614 -2.816 5.832 1.00 0.00 C ATOM 320 CG ASN A 19 61.715 -1.752 5.198 1.00 0.00 C ATOM 321 OD1 ASN A 19 62.195 -0.748 4.711 1.00 0.00 O ATOM 322 ND2 ASN A 19 60.422 -1.930 5.184 1.00 0.00 N ATOM 0 H ASN A 19 63.030 -0.550 6.763 1.00 0.00 H new ATOM 0 HA ASN A 19 64.595 -2.905 6.651 1.00 0.00 H new ATOM 0 HB2 ASN A 19 62.624 -3.714 5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 19 62.223 -3.104 6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 19 59.815 -1.226 4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 19 60.019 -2.773 5.593 1.00 0.00 H new ATOM 329 N LYS A 20 64.852 -1.017 4.102 1.00 0.00 N ATOM 330 CA LYS A 20 65.477 -0.831 2.767 1.00 0.00 C ATOM 331 C LYS A 20 67.006 -0.831 2.906 1.00 0.00 C ATOM 332 O LYS A 20 67.555 -1.077 3.961 1.00 0.00 O ATOM 333 CB LYS A 20 64.987 0.511 2.171 1.00 0.00 C ATOM 334 CG LYS A 20 64.127 0.279 0.918 1.00 0.00 C ATOM 335 CD LYS A 20 62.744 -0.277 1.316 1.00 0.00 C ATOM 336 CE LYS A 20 61.778 0.876 1.620 1.00 0.00 C ATOM 337 NZ LYS A 20 60.442 0.323 1.982 1.00 0.00 N ATOM 0 H LYS A 20 64.573 -0.153 4.567 1.00 0.00 H new ATOM 0 HA LYS A 20 65.192 -1.647 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 20 64.408 1.054 2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 20 65.844 1.134 1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 20 64.007 1.215 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 20 64.629 -0.419 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 20 62.345 -0.892 0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 20 62.840 -0.921 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 20 62.166 1.483 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 20 61.690 1.529 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 59.787 1.104 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 60.072 -0.239 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 60.533 -0.283 2.822 1.00 0.00 H new ATOM 351 N LEU A 21 67.679 -0.546 1.828 1.00 0.00 N ATOM 352 CA LEU A 21 69.177 -0.507 1.822 1.00 0.00 C ATOM 353 C LEU A 21 69.622 0.755 1.080 1.00 0.00 C ATOM 354 O LEU A 21 68.870 1.315 0.307 1.00 0.00 O ATOM 355 CB LEU A 21 69.738 -1.743 1.099 1.00 0.00 C ATOM 356 CG LEU A 21 68.946 -3.015 1.497 1.00 0.00 C ATOM 357 CD1 LEU A 21 67.821 -3.271 0.488 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.871 -4.241 1.519 1.00 0.00 C ATOM 0 H LEU A 21 67.249 -0.333 0.928 1.00 0.00 H new ATOM 0 HA LEU A 21 69.548 -0.502 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.682 -1.596 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.791 -1.871 1.350 1.00 0.00 H new ATOM 0 HG LEU A 21 68.528 -2.855 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 21 67.271 -4.167 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 21 67.143 -2.417 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 21 68.248 -3.411 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 21 69.298 -5.124 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.303 -4.389 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 21 70.670 -4.081 2.243 1.00 0.00 H new ATOM 370 N VAL A 22 70.833 1.211 1.303 1.00 0.00 N ATOM 371 CA VAL A 22 71.317 2.446 0.599 1.00 0.00 C ATOM 372 C VAL A 22 72.502 2.078 -0.335 1.00 0.00 C ATOM 373 O VAL A 22 73.560 1.740 0.159 1.00 0.00 O ATOM 374 CB VAL A 22 71.802 3.446 1.667 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.649 4.548 1.019 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.589 4.085 2.351 1.00 0.00 C ATOM 0 H VAL A 22 71.506 0.784 1.940 1.00 0.00 H new ATOM 0 HA VAL A 22 70.515 2.882 0.004 1.00 0.00 H new ATOM 0 HB VAL A 22 72.408 2.913 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.985 5.247 1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.515 4.101 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 22 72.050 5.080 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.929 4.793 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.986 4.608 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.988 3.309 2.825 1.00 0.00 H new ATOM 386 N PRO A 23 72.331 2.176 -1.652 1.00 0.00 N ATOM 387 CA PRO A 23 73.436 1.878 -2.590 1.00 0.00 C ATOM 388 C PRO A 23 74.641 2.781 -2.297 1.00 0.00 C ATOM 389 O PRO A 23 74.497 3.905 -1.860 1.00 0.00 O ATOM 390 CB PRO A 23 72.854 2.178 -3.988 1.00 0.00 C ATOM 391 CG PRO A 23 71.323 2.311 -3.819 1.00 0.00 C ATOM 392 CD PRO A 23 71.058 2.544 -2.318 1.00 0.00 C ATOM 0 HA PRO A 23 73.789 0.850 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.279 3.096 -4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.097 1.378 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.939 3.141 -4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.816 1.410 -4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.792 3.582 -2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.232 1.929 -1.961 1.00 0.00 H new ATOM 400 N ARG A 24 75.826 2.294 -2.539 1.00 0.00 N ATOM 401 CA ARG A 24 77.039 3.121 -2.281 1.00 0.00 C ATOM 402 C ARG A 24 78.179 2.634 -3.175 1.00 0.00 C ATOM 403 O ARG A 24 78.274 1.464 -3.487 1.00 0.00 O ATOM 404 CB ARG A 24 77.442 2.983 -0.806 1.00 0.00 C ATOM 405 CG ARG A 24 78.455 4.079 -0.422 1.00 0.00 C ATOM 406 CD ARG A 24 77.721 5.363 -0.011 1.00 0.00 C ATOM 407 NE ARG A 24 77.270 5.256 1.404 1.00 0.00 N ATOM 408 CZ ARG A 24 76.915 6.331 2.053 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.959 7.493 1.460 1.00 0.00 N ATOM 410 NH2 ARG A 24 76.516 6.246 3.293 1.00 0.00 N ATOM 0 H ARG A 24 76.008 1.359 -2.904 1.00 0.00 H new ATOM 0 HA ARG A 24 76.828 4.167 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.558 3.057 -0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.877 1.999 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.082 3.732 0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.116 4.284 -1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.380 6.223 -0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.864 5.528 -0.664 1.00 0.00 H new ATOM 0 HE ARG A 24 77.239 4.346 1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.270 7.560 0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.682 8.334 1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.481 5.338 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 24 76.239 7.088 3.798 1.00 0.00 H new ATOM 424 N LEU A 25 79.058 3.519 -3.569 1.00 0.00 N ATOM 425 CA LEU A 25 80.216 3.116 -4.421 1.00 0.00 C ATOM 426 C LEU A 25 81.469 3.154 -3.536 1.00 0.00 C ATOM 427 O LEU A 25 81.717 4.123 -2.847 1.00 0.00 O ATOM 428 CB LEU A 25 80.347 4.101 -5.586 1.00 0.00 C ATOM 429 CG LEU A 25 79.144 3.976 -6.535 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.135 5.170 -7.495 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.228 2.672 -7.346 1.00 0.00 C ATOM 0 H LEU A 25 79.022 4.511 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 25 80.081 2.116 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.411 5.120 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.270 3.907 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 25 78.228 3.962 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.284 5.087 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 25 79.056 6.095 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 25 80.059 5.178 -8.074 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.368 2.602 -8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.145 2.669 -7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.231 1.820 -6.666 1.00 0.00 H new ATOM 443 N LEU A 26 82.237 2.092 -3.521 1.00 0.00 N ATOM 444 CA LEU A 26 83.457 2.036 -2.648 1.00 0.00 C ATOM 445 C LEU A 26 84.724 2.150 -3.496 1.00 0.00 C ATOM 446 O LEU A 26 85.098 1.242 -4.210 1.00 0.00 O ATOM 447 CB LEU A 26 83.459 0.696 -1.897 1.00 0.00 C ATOM 448 CG LEU A 26 84.655 0.608 -0.932 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.509 1.638 0.201 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.704 -0.803 -0.338 1.00 0.00 C ATOM 0 H LEU A 26 82.072 1.254 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 26 83.438 2.866 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.529 0.585 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.502 -0.126 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 26 85.575 0.821 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.363 1.562 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.469 2.642 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.591 1.441 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.547 -0.880 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.778 -1.003 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 26 84.821 -1.532 -1.140 1.00 0.00 H new ATOM 462 N GLY A 27 85.387 3.266 -3.401 1.00 0.00 N ATOM 463 CA GLY A 27 86.640 3.485 -4.173 1.00 0.00 C ATOM 464 C GLY A 27 87.820 2.821 -3.463 1.00 0.00 C ATOM 465 O GLY A 27 87.920 2.839 -2.252 1.00 0.00 O ATOM 0 H GLY A 27 85.109 4.050 -2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.533 3.075 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.826 4.553 -4.283 1.00 0.00 H new ATOM 469 N ILE A 28 88.723 2.244 -4.218 1.00 0.00 N ATOM 470 CA ILE A 28 89.923 1.581 -3.618 1.00 0.00 C ATOM 471 C ILE A 28 91.169 2.115 -4.329 1.00 0.00 C ATOM 472 O ILE A 28 91.394 1.835 -5.489 1.00 0.00 O ATOM 473 CB ILE A 28 89.842 0.052 -3.816 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.708 -0.552 -2.949 1.00 0.00 C ATOM 475 CG2 ILE A 28 91.182 -0.577 -3.407 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.385 -0.551 -3.720 1.00 0.00 C ATOM 0 H ILE A 28 88.679 2.204 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 28 89.966 1.794 -2.550 1.00 0.00 H new ATOM 0 HB ILE A 28 89.629 -0.158 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 28 88.966 -1.571 -2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.600 0.023 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 28 91.134 -1.657 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.980 -0.168 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 28 91.385 -0.353 -2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.600 -0.978 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 28 87.120 0.472 -3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 28 87.492 -1.146 -4.627 1.00 0.00 H new ATOM 488 N THR A 29 91.984 2.876 -3.642 1.00 0.00 N ATOM 489 CA THR A 29 93.222 3.425 -4.277 1.00 0.00 C ATOM 490 C THR A 29 94.421 2.582 -3.840 1.00 0.00 C ATOM 491 O THR A 29 94.323 1.757 -2.953 1.00 0.00 O ATOM 492 CB THR A 29 93.420 4.885 -3.841 1.00 0.00 C ATOM 493 OG1 THR A 29 93.068 5.023 -2.475 1.00 0.00 O ATOM 494 CG2 THR A 29 92.533 5.800 -4.687 1.00 0.00 C ATOM 0 H THR A 29 91.845 3.141 -2.667 1.00 0.00 H new ATOM 0 HA THR A 29 93.129 3.390 -5.362 1.00 0.00 H new ATOM 0 HB THR A 29 94.465 5.163 -3.980 1.00 0.00 H new ATOM 0 HG1 THR A 29 93.591 5.749 -2.074 1.00 0.00 H new ATOM 0 HG21 THR A 29 92.676 6.835 -4.375 1.00 0.00 H new ATOM 0 HG22 THR A 29 92.802 5.697 -5.738 1.00 0.00 H new ATOM 0 HG23 THR A 29 91.488 5.521 -4.551 1.00 0.00 H new ATOM 502 N LYS A 30 95.547 2.775 -4.464 1.00 0.00 N ATOM 503 CA LYS A 30 96.751 1.981 -4.101 1.00 0.00 C ATOM 504 C LYS A 30 97.292 2.434 -2.745 1.00 0.00 C ATOM 505 O LYS A 30 98.156 1.799 -2.173 1.00 0.00 O ATOM 506 CB LYS A 30 97.820 2.194 -5.172 1.00 0.00 C ATOM 507 CG LYS A 30 97.825 3.670 -5.582 1.00 0.00 C ATOM 508 CD LYS A 30 99.126 3.998 -6.315 1.00 0.00 C ATOM 509 CE LYS A 30 99.169 3.232 -7.639 1.00 0.00 C ATOM 510 NZ LYS A 30 100.223 3.814 -8.518 1.00 0.00 N ATOM 0 H LYS A 30 95.686 3.452 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 30 96.486 0.926 -4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.799 1.906 -4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.617 1.563 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.971 3.881 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.724 4.303 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.192 5.070 -6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.983 3.728 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 30 99.376 2.178 -7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 30 98.199 3.285 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 100.252 3.293 -9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 100.007 4.814 -8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 101.147 3.742 -8.047 1.00 0.00 H new ATOM 524 N GLU A 31 96.805 3.536 -2.235 1.00 0.00 N ATOM 525 CA GLU A 31 97.302 4.051 -0.918 1.00 0.00 C ATOM 526 C GLU A 31 96.129 4.389 0.006 1.00 0.00 C ATOM 527 O GLU A 31 96.321 4.938 1.072 1.00 0.00 O ATOM 528 CB GLU A 31 98.123 5.320 -1.157 1.00 0.00 C ATOM 529 CG GLU A 31 99.392 4.985 -1.942 1.00 0.00 C ATOM 530 CD GLU A 31 100.420 6.108 -1.776 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.711 6.456 -0.643 1.00 0.00 O ATOM 532 OE2 GLU A 31 100.898 6.600 -2.785 1.00 0.00 O ATOM 0 H GLU A 31 96.081 4.105 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 31 97.914 3.281 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.528 6.049 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.386 5.777 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.810 4.042 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 31 99.153 4.852 -2.997 1.00 0.00 H new ATOM 539 N CYS A 32 94.919 4.080 -0.375 1.00 0.00 N ATOM 540 CA CYS A 32 93.780 4.416 0.528 1.00 0.00 C ATOM 541 C CYS A 32 92.464 3.814 0.009 1.00 0.00 C ATOM 542 O CYS A 32 92.380 3.290 -1.084 1.00 0.00 O ATOM 543 CB CYS A 32 93.649 5.957 0.614 1.00 0.00 C ATOM 544 SG CYS A 32 94.383 6.721 -0.856 1.00 0.00 S ATOM 0 H CYS A 32 94.672 3.620 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 32 93.977 3.996 1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.599 6.238 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.146 6.324 1.512 1.00 0.00 H new ATOM 0 HG CYS A 32 94.267 8.013 -0.777 1.00 0.00 H new ATOM 550 N VAL A 33 91.429 3.925 0.803 1.00 0.00 N ATOM 551 CA VAL A 33 90.077 3.421 0.411 1.00 0.00 C ATOM 552 C VAL A 33 89.122 4.599 0.570 1.00 0.00 C ATOM 553 O VAL A 33 89.289 5.393 1.474 1.00 0.00 O ATOM 554 CB VAL A 33 89.652 2.280 1.342 1.00 0.00 C ATOM 555 CG1 VAL A 33 88.276 1.759 0.922 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.674 1.145 1.255 1.00 0.00 C ATOM 0 H VAL A 33 91.466 4.354 1.728 1.00 0.00 H new ATOM 0 HA VAL A 33 90.076 3.038 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 33 89.602 2.649 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.976 0.948 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.547 2.567 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.324 1.391 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 33 90.373 0.333 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.724 0.778 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.654 1.514 1.556 1.00 0.00 H new ATOM 566 N MET A 34 88.150 4.764 -0.299 1.00 0.00 N ATOM 567 CA MET A 34 87.241 5.953 -0.163 1.00 0.00 C ATOM 568 C MET A 34 85.780 5.560 -0.303 1.00 0.00 C ATOM 569 O MET A 34 85.423 4.670 -1.047 1.00 0.00 O ATOM 570 CB MET A 34 87.597 6.987 -1.249 1.00 0.00 C ATOM 571 CG MET A 34 89.089 6.900 -1.577 1.00 0.00 C ATOM 572 SD MET A 34 89.592 8.380 -2.490 1.00 0.00 S ATOM 573 CE MET A 34 91.359 8.291 -2.111 1.00 0.00 C ATOM 0 H MET A 34 87.948 4.142 -1.082 1.00 0.00 H new ATOM 0 HA MET A 34 87.382 6.378 0.831 1.00 0.00 H new ATOM 0 HB2 MET A 34 87.006 6.803 -2.147 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.349 7.991 -0.904 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.670 6.811 -0.659 1.00 0.00 H new ATOM 0 HG3 MET A 34 89.291 6.008 -2.170 1.00 0.00 H new ATOM 0 HE1 MET A 34 91.905 8.976 -2.759 1.00 0.00 H new ATOM 0 HE2 MET A 34 91.522 8.569 -1.070 1.00 0.00 H new ATOM 0 HE3 MET A 34 91.716 7.274 -2.275 1.00 0.00 H new ATOM 583 N ARG A 35 84.925 6.265 0.392 1.00 0.00 N ATOM 584 CA ARG A 35 83.466 5.981 0.288 1.00 0.00 C ATOM 585 C ARG A 35 82.900 6.919 -0.765 1.00 0.00 C ATOM 586 O ARG A 35 83.008 8.124 -0.652 1.00 0.00 O ATOM 587 CB ARG A 35 82.762 6.272 1.622 1.00 0.00 C ATOM 588 CG ARG A 35 82.958 5.110 2.610 1.00 0.00 C ATOM 589 CD ARG A 35 81.855 5.151 3.673 1.00 0.00 C ATOM 590 NE ARG A 35 81.532 6.571 3.992 1.00 0.00 N ATOM 591 CZ ARG A 35 80.463 6.858 4.683 1.00 0.00 C ATOM 592 NH1 ARG A 35 79.678 5.901 5.097 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.179 8.100 4.962 1.00 0.00 N ATOM 0 H ARG A 35 85.175 7.024 1.026 1.00 0.00 H new ATOM 0 HA ARG A 35 83.310 4.933 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.157 7.192 2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 35 81.698 6.432 1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 35 82.931 4.159 2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 35 83.937 5.183 3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 35 80.965 4.636 3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 35 82.181 4.629 4.573 1.00 0.00 H new ATOM 0 HE ARG A 35 82.147 7.318 3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 35 79.900 4.929 4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 35 78.842 6.125 5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 35 80.793 8.848 4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.343 8.323 5.502 1.00 0.00 H new ATOM 607 N VAL A 36 82.300 6.377 -1.790 1.00 0.00 N ATOM 608 CA VAL A 36 81.724 7.229 -2.866 1.00 0.00 C ATOM 609 C VAL A 36 80.220 6.978 -2.935 1.00 0.00 C ATOM 610 O VAL A 36 79.770 5.859 -3.078 1.00 0.00 O ATOM 611 CB VAL A 36 82.402 6.876 -4.195 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.755 7.659 -5.345 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.887 7.242 -4.114 1.00 0.00 C ATOM 0 H VAL A 36 82.184 5.373 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 36 81.895 8.286 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 36 82.287 5.808 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.245 7.399 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.696 7.406 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.863 8.728 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.375 6.993 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 36 83.989 8.310 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.356 6.683 -3.304 1.00 0.00 H new ATOM 623 N ASP A 37 79.437 8.013 -2.821 1.00 0.00 N ATOM 624 CA ASP A 37 77.963 7.836 -2.870 1.00 0.00 C ATOM 625 C ASP A 37 77.568 7.322 -4.245 1.00 0.00 C ATOM 626 O ASP A 37 78.186 7.636 -5.232 1.00 0.00 O ATOM 627 CB ASP A 37 77.274 9.176 -2.604 1.00 0.00 C ATOM 628 CG ASP A 37 75.800 8.939 -2.273 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.379 7.794 -2.317 1.00 0.00 O ATOM 630 OD2 ASP A 37 75.116 9.906 -1.980 1.00 0.00 O ATOM 0 H ASP A 37 79.756 8.974 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 37 77.655 7.119 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.764 9.691 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.362 9.821 -3.478 1.00 0.00 H new ATOM 635 N GLU A 38 76.537 6.539 -4.317 1.00 0.00 N ATOM 636 CA GLU A 38 76.088 6.008 -5.630 1.00 0.00 C ATOM 637 C GLU A 38 75.090 6.998 -6.200 1.00 0.00 C ATOM 638 O GLU A 38 74.833 7.061 -7.386 1.00 0.00 O ATOM 639 CB GLU A 38 75.416 4.662 -5.388 1.00 0.00 C ATOM 640 CG GLU A 38 75.298 3.873 -6.689 1.00 0.00 C ATOM 641 CD GLU A 38 74.234 4.513 -7.584 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.226 4.948 -7.052 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.446 4.556 -8.784 1.00 0.00 O ATOM 0 H GLU A 38 75.979 6.240 -3.517 1.00 0.00 H new ATOM 0 HA GLU A 38 76.918 5.876 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.991 4.089 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.425 4.817 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.258 3.856 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 38 75.033 2.838 -6.475 1.00 0.00 H new ATOM 650 N LYS A 39 74.534 7.768 -5.325 1.00 0.00 N ATOM 651 CA LYS A 39 73.540 8.786 -5.714 1.00 0.00 C ATOM 652 C LYS A 39 74.246 9.963 -6.377 1.00 0.00 C ATOM 653 O LYS A 39 73.890 10.390 -7.458 1.00 0.00 O ATOM 654 CB LYS A 39 72.842 9.263 -4.447 1.00 0.00 C ATOM 655 CG LYS A 39 71.752 10.277 -4.800 1.00 0.00 C ATOM 656 CD LYS A 39 71.062 10.751 -3.520 1.00 0.00 C ATOM 657 CE LYS A 39 69.899 11.678 -3.879 1.00 0.00 C ATOM 658 NZ LYS A 39 69.323 12.257 -2.632 1.00 0.00 N ATOM 0 H LYS A 39 74.734 7.733 -4.325 1.00 0.00 H new ATOM 0 HA LYS A 39 72.819 8.366 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.404 8.414 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.567 9.717 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 39 72.187 11.126 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 39 71.023 9.824 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.697 9.895 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.775 11.275 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 39 70.245 12.475 -4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.134 11.125 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.532 12.887 -2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.979 11.490 -2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 70.056 12.798 -2.130 1.00 0.00 H new ATOM 672 N THR A 40 75.238 10.501 -5.721 1.00 0.00 N ATOM 673 CA THR A 40 75.979 11.671 -6.281 1.00 0.00 C ATOM 674 C THR A 40 77.315 11.222 -6.876 1.00 0.00 C ATOM 675 O THR A 40 78.047 12.020 -7.427 1.00 0.00 O ATOM 676 CB THR A 40 76.243 12.681 -5.160 1.00 0.00 C ATOM 677 OG1 THR A 40 76.733 11.999 -4.014 1.00 0.00 O ATOM 678 CG2 THR A 40 74.943 13.404 -4.809 1.00 0.00 C ATOM 0 H THR A 40 75.571 10.178 -4.813 1.00 0.00 H new ATOM 0 HA THR A 40 75.377 12.128 -7.067 1.00 0.00 H new ATOM 0 HB THR A 40 76.983 13.409 -5.492 1.00 0.00 H new ATOM 0 HG1 THR A 40 76.904 12.645 -3.297 1.00 0.00 H new ATOM 0 HG21 THR A 40 75.130 14.123 -4.011 1.00 0.00 H new ATOM 0 HG22 THR A 40 74.569 13.928 -5.689 1.00 0.00 H new ATOM 0 HG23 THR A 40 74.201 12.678 -4.476 1.00 0.00 H new ATOM 686 N LYS A 41 77.657 9.962 -6.778 1.00 0.00 N ATOM 687 CA LYS A 41 78.960 9.525 -7.353 1.00 0.00 C ATOM 688 C LYS A 41 80.070 10.426 -6.792 1.00 0.00 C ATOM 689 O LYS A 41 81.139 10.541 -7.359 1.00 0.00 O ATOM 690 CB LYS A 41 78.888 9.637 -8.894 1.00 0.00 C ATOM 691 CG LYS A 41 79.518 8.401 -9.549 1.00 0.00 C ATOM 692 CD LYS A 41 79.608 8.605 -11.065 1.00 0.00 C ATOM 693 CE LYS A 41 78.223 8.932 -11.637 1.00 0.00 C ATOM 694 NZ LYS A 41 78.185 8.563 -13.081 1.00 0.00 N ATOM 0 H LYS A 41 77.101 9.231 -6.333 1.00 0.00 H new ATOM 0 HA LYS A 41 79.176 8.490 -7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 41 77.849 9.735 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.407 10.536 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 41 80.512 8.227 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 41 78.921 7.516 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 41 80.303 9.414 -11.290 1.00 0.00 H new ATOM 0 HD3 LYS A 41 80.002 7.705 -11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 41 77.453 8.387 -11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 41 78.008 9.994 -11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 77.247 8.784 -13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 78.910 9.102 -13.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 78.372 7.545 -13.184 1.00 0.00 H new ATOM 708 N GLU A 42 79.816 11.070 -5.677 1.00 0.00 N ATOM 709 CA GLU A 42 80.843 11.973 -5.067 1.00 0.00 C ATOM 710 C GLU A 42 81.582 11.228 -3.955 1.00 0.00 C ATOM 711 O GLU A 42 81.130 10.215 -3.476 1.00 0.00 O ATOM 712 CB GLU A 42 80.151 13.208 -4.475 1.00 0.00 C ATOM 713 CG GLU A 42 81.148 14.359 -4.335 1.00 0.00 C ATOM 714 CD GLU A 42 80.403 15.634 -3.935 1.00 0.00 C ATOM 715 OE1 GLU A 42 79.845 16.272 -4.813 1.00 0.00 O ATOM 716 OE2 GLU A 42 80.402 15.952 -2.756 1.00 0.00 O ATOM 0 H GLU A 42 78.938 11.008 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 42 81.553 12.283 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 42 79.323 13.511 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 42 79.728 12.964 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 42 81.900 14.114 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.676 14.514 -5.276 1.00 0.00 H new ATOM 723 N VAL A 43 82.708 11.738 -3.542 1.00 0.00 N ATOM 724 CA VAL A 43 83.491 11.073 -2.455 1.00 0.00 C ATOM 725 C VAL A 43 82.919 11.468 -1.093 1.00 0.00 C ATOM 726 O VAL A 43 82.698 12.631 -0.819 1.00 0.00 O ATOM 727 CB VAL A 43 84.958 11.511 -2.550 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.727 11.039 -1.312 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.589 10.896 -3.802 1.00 0.00 C ATOM 0 H VAL A 43 83.125 12.593 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 43 83.427 9.991 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 43 85.004 12.599 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.768 11.354 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.280 11.474 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.681 9.952 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.632 11.205 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.536 9.809 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 43 85.049 11.235 -4.686 1.00 0.00 H new ATOM 739 N ILE A 44 82.675 10.501 -0.237 1.00 0.00 N ATOM 740 CA ILE A 44 82.111 10.800 1.115 1.00 0.00 C ATOM 741 C ILE A 44 83.166 10.541 2.195 1.00 0.00 C ATOM 742 O ILE A 44 83.157 11.166 3.237 1.00 0.00 O ATOM 743 CB ILE A 44 80.900 9.902 1.367 1.00 0.00 C ATOM 744 CG1 ILE A 44 79.922 10.005 0.186 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.204 10.344 2.654 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.586 11.472 -0.107 1.00 0.00 C ATOM 0 H ILE A 44 82.845 9.512 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 44 81.811 11.847 1.153 1.00 0.00 H new ATOM 0 HB ILE A 44 81.228 8.867 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.361 9.543 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.009 9.455 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.339 9.706 2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 44 80.899 10.263 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 44 79.877 11.379 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 44 78.892 11.526 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.127 11.923 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.500 12.012 -0.356 1.00 0.00 H new ATOM 758 N GLN A 45 84.074 9.624 1.969 1.00 0.00 N ATOM 759 CA GLN A 45 85.117 9.341 3.010 1.00 0.00 C ATOM 760 C GLN A 45 86.434 8.902 2.351 1.00 0.00 C ATOM 761 O GLN A 45 86.490 8.567 1.186 1.00 0.00 O ATOM 762 CB GLN A 45 84.616 8.233 3.959 1.00 0.00 C ATOM 763 CG GLN A 45 85.245 8.390 5.354 1.00 0.00 C ATOM 764 CD GLN A 45 84.491 9.455 6.154 1.00 0.00 C ATOM 765 OE1 GLN A 45 83.356 9.770 5.857 1.00 0.00 O ATOM 766 NE2 GLN A 45 85.082 10.027 7.165 1.00 0.00 N ATOM 0 H GLN A 45 84.141 9.063 1.119 1.00 0.00 H new ATOM 0 HA GLN A 45 85.299 10.253 3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 45 83.530 8.277 4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.867 7.255 3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 45 85.216 7.438 5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.294 8.670 5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.035 9.763 7.415 1.00 0.00 H new ATOM 0 HE22 GLN A 45 84.592 10.739 7.706 1.00 0.00 H new ATOM 775 N GLU A 46 87.484 8.907 3.122 1.00 0.00 N ATOM 776 CA GLU A 46 88.834 8.502 2.632 1.00 0.00 C ATOM 777 C GLU A 46 89.570 7.791 3.774 1.00 0.00 C ATOM 778 O GLU A 46 89.519 8.214 4.912 1.00 0.00 O ATOM 779 CB GLU A 46 89.619 9.751 2.201 1.00 0.00 C ATOM 780 CG GLU A 46 89.282 10.096 0.748 1.00 0.00 C ATOM 781 CD GLU A 46 90.079 11.327 0.315 1.00 0.00 C ATOM 782 OE1 GLU A 46 91.230 11.163 -0.057 1.00 0.00 O ATOM 783 OE2 GLU A 46 89.526 12.414 0.364 1.00 0.00 O ATOM 0 H GLU A 46 87.463 9.184 4.103 1.00 0.00 H new ATOM 0 HA GLU A 46 88.741 7.833 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.371 10.590 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.689 9.573 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.516 9.252 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.214 10.288 0.648 1.00 0.00 H new ATOM 790 N TRP A 47 90.251 6.711 3.481 1.00 0.00 N ATOM 791 CA TRP A 47 90.991 5.965 4.549 1.00 0.00 C ATOM 792 C TRP A 47 92.345 5.512 4.009 1.00 0.00 C ATOM 793 O TRP A 47 92.511 5.303 2.830 1.00 0.00 O ATOM 794 CB TRP A 47 90.191 4.727 4.976 1.00 0.00 C ATOM 795 CG TRP A 47 89.034 5.111 5.852 1.00 0.00 C ATOM 796 CD1 TRP A 47 89.098 5.912 6.947 1.00 0.00 C ATOM 797 CD2 TRP A 47 87.639 4.699 5.736 1.00 0.00 C ATOM 798 NE1 TRP A 47 87.832 6.024 7.493 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.903 5.294 6.786 1.00 0.00 C ATOM 800 CE3 TRP A 47 86.947 3.877 4.828 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.536 5.085 6.934 1.00 0.00 C ATOM 802 CZ3 TRP A 47 85.567 3.662 4.974 1.00 0.00 C ATOM 803 CH2 TRP A 47 84.863 4.265 6.026 1.00 0.00 C ATOM 0 H TRP A 47 90.327 6.312 2.546 1.00 0.00 H new ATOM 0 HA TRP A 47 91.130 6.624 5.406 1.00 0.00 H new ATOM 0 HB2 TRP A 47 89.825 4.203 4.093 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.842 4.035 5.510 1.00 0.00 H new ATOM 0 HD1 TRP A 47 89.991 6.384 7.329 1.00 0.00 H new ATOM 0 HE1 TRP A 47 87.613 6.580 8.320 1.00 0.00 H new ATOM 0 HE3 TRP A 47 87.480 3.409 4.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 84.999 5.554 7.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.045 3.029 4.272 1.00 0.00 H new ATOM 0 HH2 TRP A 47 83.802 4.096 6.134 1.00 0.00 H new ATOM 814 N SER A 48 93.310 5.342 4.871 1.00 0.00 N ATOM 815 CA SER A 48 94.658 4.889 4.416 1.00 0.00 C ATOM 816 C SER A 48 94.696 3.358 4.388 1.00 0.00 C ATOM 817 O SER A 48 94.074 2.696 5.196 1.00 0.00 O ATOM 818 CB SER A 48 95.724 5.422 5.381 1.00 0.00 C ATOM 819 OG SER A 48 95.202 5.417 6.702 1.00 0.00 O ATOM 0 H SER A 48 93.224 5.498 5.875 1.00 0.00 H new ATOM 0 HA SER A 48 94.858 5.270 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 48 96.620 4.804 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.017 6.433 5.097 1.00 0.00 H new ATOM 0 HG SER A 48 95.933 5.293 7.342 1.00 0.00 H new ATOM 825 N LEU A 49 95.420 2.790 3.461 1.00 0.00 N ATOM 826 CA LEU A 49 95.498 1.306 3.379 1.00 0.00 C ATOM 827 C LEU A 49 96.313 0.781 4.569 1.00 0.00 C ATOM 828 O LEU A 49 96.130 -0.334 5.016 1.00 0.00 O ATOM 829 CB LEU A 49 96.180 0.908 2.049 1.00 0.00 C ATOM 830 CG LEU A 49 95.122 0.639 0.959 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.744 0.825 -0.430 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.599 -0.799 1.086 1.00 0.00 C ATOM 0 H LEU A 49 95.961 3.292 2.757 1.00 0.00 H new ATOM 0 HA LEU A 49 94.498 0.873 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.850 1.704 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.791 0.018 2.199 1.00 0.00 H new ATOM 0 HG LEU A 49 94.299 1.342 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.991 0.633 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 49 96.111 1.846 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.573 0.128 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.852 -0.984 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.426 -1.499 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.147 -0.936 2.068 1.00 0.00 H new ATOM 844 N THR A 50 97.212 1.576 5.080 1.00 0.00 N ATOM 845 CA THR A 50 98.038 1.125 6.232 1.00 0.00 C ATOM 846 C THR A 50 97.196 1.148 7.509 1.00 0.00 C ATOM 847 O THR A 50 97.608 0.664 8.545 1.00 0.00 O ATOM 848 CB THR A 50 99.239 2.060 6.397 1.00 0.00 C ATOM 849 OG1 THR A 50 98.777 3.386 6.614 1.00 0.00 O ATOM 850 CG2 THR A 50 100.101 2.017 5.135 1.00 0.00 C ATOM 0 H THR A 50 97.410 2.520 4.748 1.00 0.00 H new ATOM 0 HA THR A 50 98.389 0.110 6.048 1.00 0.00 H new ATOM 0 HB THR A 50 99.836 1.738 7.250 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.544 3.986 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 50 100.955 2.683 5.255 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.455 0.999 4.971 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.508 2.338 4.278 1.00 0.00 H new ATOM 858 N ASN A 51 96.019 1.712 7.447 1.00 0.00 N ATOM 859 CA ASN A 51 95.150 1.772 8.662 1.00 0.00 C ATOM 860 C ASN A 51 94.281 0.512 8.739 1.00 0.00 C ATOM 861 O ASN A 51 93.785 0.156 9.789 1.00 0.00 O ATOM 862 CB ASN A 51 94.252 3.016 8.587 1.00 0.00 C ATOM 863 CG ASN A 51 95.043 4.251 9.030 1.00 0.00 C ATOM 864 OD1 ASN A 51 96.215 4.374 8.736 1.00 0.00 O ATOM 865 ND2 ASN A 51 94.445 5.175 9.730 1.00 0.00 N ATOM 0 H ASN A 51 95.621 2.134 6.608 1.00 0.00 H new ATOM 0 HA ASN A 51 95.776 1.830 9.552 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.887 3.152 7.569 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.378 2.884 9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 51 94.962 6.001 10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 51 93.461 5.071 9.977 1.00 0.00 H new ATOM 872 N ILE A 52 94.091 -0.167 7.640 1.00 0.00 N ATOM 873 CA ILE A 52 93.251 -1.399 7.670 1.00 0.00 C ATOM 874 C ILE A 52 93.964 -2.482 8.484 1.00 0.00 C ATOM 875 O ILE A 52 95.063 -2.890 8.168 1.00 0.00 O ATOM 876 CB ILE A 52 93.018 -1.900 6.241 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.477 -0.752 5.382 1.00 0.00 C ATOM 878 CG2 ILE A 52 92.000 -3.046 6.257 1.00 0.00 C ATOM 879 CD1 ILE A 52 92.119 -1.271 3.987 1.00 0.00 C ATOM 0 H ILE A 52 94.478 0.076 6.728 1.00 0.00 H new ATOM 0 HA ILE A 52 92.290 -1.171 8.131 1.00 0.00 H new ATOM 0 HB ILE A 52 93.960 -2.258 5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.597 -0.316 5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 52 93.223 0.039 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.836 -3.401 5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.382 -3.863 6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 52 91.058 -2.690 6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.735 -0.450 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 52 93.009 -1.686 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.358 -2.047 4.072 1.00 0.00 H new ATOM 891 N LYS A 53 93.340 -2.954 9.531 1.00 0.00 N ATOM 892 CA LYS A 53 93.973 -4.014 10.369 1.00 0.00 C ATOM 893 C LYS A 53 93.650 -5.390 9.778 1.00 0.00 C ATOM 894 O LYS A 53 94.524 -6.211 9.580 1.00 0.00 O ATOM 895 CB LYS A 53 93.423 -3.926 11.795 1.00 0.00 C ATOM 896 CG LYS A 53 94.011 -5.055 12.643 1.00 0.00 C ATOM 897 CD LYS A 53 93.641 -4.838 14.111 1.00 0.00 C ATOM 898 CE LYS A 53 94.058 -6.063 14.926 1.00 0.00 C ATOM 899 NZ LYS A 53 93.799 -5.810 16.371 1.00 0.00 N ATOM 0 H LYS A 53 92.417 -2.650 9.842 1.00 0.00 H new ATOM 0 HA LYS A 53 95.054 -3.872 10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.674 -2.960 12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.335 -3.997 11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.631 -6.017 12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.095 -5.082 12.530 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.137 -3.946 14.495 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.568 -4.672 14.206 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.502 -6.940 14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.115 -6.276 14.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.082 -6.643 16.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.348 -4.983 16.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.785 -5.627 16.515 1.00 0.00 H new ATOM 913 N ARG A 54 92.401 -5.649 9.495 1.00 0.00 N ATOM 914 CA ARG A 54 92.020 -6.972 8.918 1.00 0.00 C ATOM 915 C ARG A 54 90.705 -6.834 8.154 1.00 0.00 C ATOM 916 O ARG A 54 90.094 -5.784 8.135 1.00 0.00 O ATOM 917 CB ARG A 54 91.824 -7.990 10.049 1.00 0.00 C ATOM 918 CG ARG A 54 90.889 -7.402 11.122 1.00 0.00 C ATOM 919 CD ARG A 54 90.243 -8.525 11.941 1.00 0.00 C ATOM 920 NE ARG A 54 89.793 -7.966 13.248 1.00 0.00 N ATOM 921 CZ ARG A 54 89.024 -8.670 14.033 1.00 0.00 C ATOM 922 NH1 ARG A 54 88.668 -9.877 13.687 1.00 0.00 N ATOM 923 NH2 ARG A 54 88.612 -8.167 15.165 1.00 0.00 N ATOM 0 H ARG A 54 91.627 -5.001 9.639 1.00 0.00 H new ATOM 0 HA ARG A 54 92.810 -7.309 8.247 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.402 -8.913 9.651 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.787 -8.245 10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 54 91.452 -6.740 11.781 1.00 0.00 H new ATOM 0 HG3 ARG A 54 90.116 -6.798 10.648 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.397 -8.949 11.400 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.956 -9.334 12.101 1.00 0.00 H new ATOM 0 HE ARG A 54 90.087 -7.031 13.529 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.991 -10.270 12.803 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.067 -10.427 14.301 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.891 -7.224 15.436 1.00 0.00 H new ATOM 0 HH22 ARG A 54 88.011 -8.717 15.779 1.00 0.00 H new ATOM 937 N TRP A 55 90.250 -7.894 7.544 1.00 0.00 N ATOM 938 CA TRP A 55 88.957 -7.826 6.808 1.00 0.00 C ATOM 939 C TRP A 55 88.368 -9.223 6.677 1.00 0.00 C ATOM 940 O TRP A 55 89.002 -10.205 6.984 1.00 0.00 O ATOM 941 CB TRP A 55 89.163 -7.222 5.413 1.00 0.00 C ATOM 942 CG TRP A 55 90.142 -8.041 4.636 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.864 -9.222 4.037 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.541 -7.757 4.349 1.00 0.00 C ATOM 945 NE1 TRP A 55 91.009 -9.687 3.412 1.00 0.00 N ATOM 946 CE2 TRP A 55 92.067 -8.816 3.573 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.396 -6.695 4.687 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.394 -8.820 3.146 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.733 -6.696 4.258 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.230 -7.757 3.489 1.00 0.00 C ATOM 0 H TRP A 55 90.716 -8.801 7.524 1.00 0.00 H new ATOM 0 HA TRP A 55 88.271 -7.190 7.367 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.212 -7.180 4.883 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.524 -6.197 5.502 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.906 -9.720 4.045 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.064 -10.565 2.896 1.00 0.00 H new ATOM 0 HE3 TRP A 55 92.023 -5.873 5.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.772 -9.640 2.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.382 -5.874 4.522 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.259 -7.752 3.162 1.00 0.00 H new ATOM 961 N ALA A 56 87.150 -9.316 6.229 1.00 0.00 N ATOM 962 CA ALA A 56 86.507 -10.653 6.070 1.00 0.00 C ATOM 963 C ALA A 56 85.539 -10.589 4.889 1.00 0.00 C ATOM 964 O ALA A 56 84.554 -9.879 4.923 1.00 0.00 O ATOM 965 CB ALA A 56 85.750 -11.012 7.350 1.00 0.00 C ATOM 0 H ALA A 56 86.567 -8.522 5.964 1.00 0.00 H new ATOM 0 HA ALA A 56 87.263 -11.416 5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.280 -11.989 7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.446 -11.042 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.983 -10.261 7.542 1.00 0.00 H new ATOM 971 N ALA A 57 85.814 -11.315 3.838 1.00 0.00 N ATOM 972 CA ALA A 57 84.915 -11.285 2.644 1.00 0.00 C ATOM 973 C ALA A 57 83.993 -12.499 2.650 1.00 0.00 C ATOM 974 O ALA A 57 84.438 -13.630 2.628 1.00 0.00 O ATOM 975 CB ALA A 57 85.765 -11.308 1.376 1.00 0.00 C ATOM 0 H ALA A 57 86.624 -11.929 3.753 1.00 0.00 H new ATOM 0 HA ALA A 57 84.311 -10.378 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 57 85.115 -11.286 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.421 -10.438 1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.367 -12.217 1.358 1.00 0.00 H new ATOM 981 N SER A 58 82.703 -12.265 2.659 1.00 0.00 N ATOM 982 CA SER A 58 81.717 -13.382 2.644 1.00 0.00 C ATOM 983 C SER A 58 80.997 -13.349 1.284 1.00 0.00 C ATOM 984 O SER A 58 80.960 -12.312 0.651 1.00 0.00 O ATOM 985 CB SER A 58 80.712 -13.173 3.787 1.00 0.00 C ATOM 986 OG SER A 58 81.173 -13.858 4.944 1.00 0.00 O ATOM 0 H SER A 58 82.289 -11.333 2.676 1.00 0.00 H new ATOM 0 HA SER A 58 82.206 -14.346 2.782 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.600 -12.110 3.999 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.730 -13.545 3.496 1.00 0.00 H new ATOM 0 HG SER A 58 80.536 -13.727 5.677 1.00 0.00 H new ATOM 992 N PRO A 59 80.442 -14.462 0.860 1.00 0.00 N ATOM 993 CA PRO A 59 79.727 -14.520 -0.434 1.00 0.00 C ATOM 994 C PRO A 59 78.541 -13.536 -0.457 1.00 0.00 C ATOM 995 O PRO A 59 77.602 -13.718 -1.207 1.00 0.00 O ATOM 996 CB PRO A 59 79.234 -15.985 -0.539 1.00 0.00 C ATOM 997 CG PRO A 59 79.514 -16.661 0.831 1.00 0.00 C ATOM 998 CD PRO A 59 80.474 -15.741 1.605 1.00 0.00 C ATOM 0 HA PRO A 59 80.366 -14.237 -1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.170 -16.017 -0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.754 -16.510 -1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.587 -16.804 1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.956 -17.647 0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 59 80.150 -15.607 2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.481 -16.156 1.638 1.00 0.00 H new ATOM 1006 N LYS A 60 78.554 -12.509 0.357 1.00 0.00 N ATOM 1007 CA LYS A 60 77.405 -11.559 0.358 1.00 0.00 C ATOM 1008 C LYS A 60 77.845 -10.174 0.833 1.00 0.00 C ATOM 1009 O LYS A 60 77.335 -9.168 0.380 1.00 0.00 O ATOM 1010 CB LYS A 60 76.344 -12.093 1.317 1.00 0.00 C ATOM 1011 CG LYS A 60 76.889 -12.070 2.754 1.00 0.00 C ATOM 1012 CD LYS A 60 76.178 -13.128 3.599 1.00 0.00 C ATOM 1013 CE LYS A 60 76.466 -12.880 5.081 1.00 0.00 C ATOM 1014 NZ LYS A 60 75.676 -11.708 5.553 1.00 0.00 N ATOM 0 H LYS A 60 79.304 -12.291 1.014 1.00 0.00 H new ATOM 0 HA LYS A 60 77.013 -11.471 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.441 -11.487 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 60 76.067 -13.110 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.963 -12.259 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.741 -11.083 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 60 75.104 -13.093 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 60 76.517 -14.124 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 60 76.209 -13.764 5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 60 77.530 -12.698 5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 75.625 -11.719 6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 76.136 -10.830 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 74.715 -11.756 5.159 1.00 0.00 H new ATOM 1028 N SER A 61 78.760 -10.110 1.766 1.00 0.00 N ATOM 1029 CA SER A 61 79.200 -8.777 2.297 1.00 0.00 C ATOM 1030 C SER A 61 80.715 -8.727 2.512 1.00 0.00 C ATOM 1031 O SER A 61 81.394 -9.734 2.553 1.00 0.00 O ATOM 1032 CB SER A 61 78.503 -8.529 3.634 1.00 0.00 C ATOM 1033 OG SER A 61 78.688 -9.661 4.475 1.00 0.00 O ATOM 0 H SER A 61 79.222 -10.918 2.184 1.00 0.00 H new ATOM 0 HA SER A 61 78.935 -8.012 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.910 -7.637 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.440 -8.349 3.476 1.00 0.00 H new ATOM 0 HG SER A 61 78.244 -9.506 5.335 1.00 0.00 H new ATOM 1039 N PHE A 62 81.231 -7.532 2.664 1.00 0.00 N ATOM 1040 CA PHE A 62 82.696 -7.326 2.898 1.00 0.00 C ATOM 1041 C PHE A 62 82.864 -6.567 4.216 1.00 0.00 C ATOM 1042 O PHE A 62 82.090 -5.685 4.523 1.00 0.00 O ATOM 1043 CB PHE A 62 83.285 -6.493 1.755 1.00 0.00 C ATOM 1044 CG PHE A 62 84.784 -6.357 1.934 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.600 -7.492 1.873 1.00 0.00 C ATOM 1046 CD2 PHE A 62 85.359 -5.098 2.160 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.985 -7.372 2.037 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.745 -4.979 2.324 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.557 -6.116 2.262 1.00 0.00 C ATOM 0 H PHE A 62 80.686 -6.670 2.635 1.00 0.00 H new ATOM 0 HA PHE A 62 83.211 -8.286 2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.066 -6.967 0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.821 -5.507 1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.160 -8.463 1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.733 -4.219 2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.612 -8.250 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 62 87.187 -4.009 2.498 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.626 -6.024 2.388 1.00 0.00 H new ATOM 1059 N THR A 63 83.853 -6.908 5.007 1.00 0.00 N ATOM 1060 CA THR A 63 84.054 -6.207 6.320 1.00 0.00 C ATOM 1061 C THR A 63 85.523 -5.811 6.465 1.00 0.00 C ATOM 1062 O THR A 63 86.404 -6.584 6.170 1.00 0.00 O ATOM 1063 CB THR A 63 83.667 -7.167 7.456 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.255 -7.316 7.484 1.00 0.00 O ATOM 1065 CG2 THR A 63 84.149 -6.623 8.809 1.00 0.00 C ATOM 0 H THR A 63 84.531 -7.642 4.802 1.00 0.00 H new ATOM 0 HA THR A 63 83.435 -5.311 6.363 1.00 0.00 H new ATOM 0 HB THR A 63 84.141 -8.132 7.278 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.871 -6.950 6.660 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.866 -7.316 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.233 -6.514 8.792 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.690 -5.652 8.995 1.00 0.00 H new ATOM 1073 N LEU A 64 85.790 -4.613 6.937 1.00 0.00 N ATOM 1074 CA LEU A 64 87.210 -4.161 7.130 1.00 0.00 C ATOM 1075 C LEU A 64 87.359 -3.606 8.550 1.00 0.00 C ATOM 1076 O LEU A 64 86.390 -3.245 9.188 1.00 0.00 O ATOM 1077 CB LEU A 64 87.579 -3.074 6.100 1.00 0.00 C ATOM 1078 CG LEU A 64 86.350 -2.195 5.787 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.811 -0.784 5.390 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.531 -2.814 4.632 1.00 0.00 C ATOM 0 H LEU A 64 85.083 -3.926 7.198 1.00 0.00 H new ATOM 0 HA LEU A 64 87.882 -5.007 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.388 -2.455 6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.945 -3.540 5.185 1.00 0.00 H new ATOM 0 HG LEU A 64 85.723 -2.137 6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 64 85.941 -0.166 5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.373 -0.340 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.447 -0.844 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.667 -2.184 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 64 86.155 -2.885 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.193 -3.810 4.919 1.00 0.00 H new ATOM 1092 N ASP A 65 88.569 -3.544 9.049 1.00 0.00 N ATOM 1093 CA ASP A 65 88.802 -3.021 10.435 1.00 0.00 C ATOM 1094 C ASP A 65 89.905 -1.966 10.411 1.00 0.00 C ATOM 1095 O ASP A 65 90.956 -2.162 9.835 1.00 0.00 O ATOM 1096 CB ASP A 65 89.240 -4.164 11.354 1.00 0.00 C ATOM 1097 CG ASP A 65 89.368 -3.639 12.786 1.00 0.00 C ATOM 1098 OD1 ASP A 65 88.882 -2.550 13.042 1.00 0.00 O ATOM 1099 OD2 ASP A 65 89.951 -4.335 13.602 1.00 0.00 O ATOM 0 H ASP A 65 89.412 -3.835 8.554 1.00 0.00 H new ATOM 0 HA ASP A 65 87.875 -2.582 10.804 1.00 0.00 H new ATOM 0 HB2 ASP A 65 88.514 -4.976 11.315 1.00 0.00 H new ATOM 0 HB3 ASP A 65 90.193 -4.572 11.017 1.00 0.00 H new ATOM 1104 N PHE A 66 89.673 -0.851 11.052 1.00 0.00 N ATOM 1105 CA PHE A 66 90.700 0.231 11.099 1.00 0.00 C ATOM 1106 C PHE A 66 91.340 0.226 12.485 1.00 0.00 C ATOM 1107 O PHE A 66 92.244 0.986 12.771 1.00 0.00 O ATOM 1108 CB PHE A 66 90.019 1.578 10.864 1.00 0.00 C ATOM 1109 CG PHE A 66 89.537 1.657 9.432 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.464 1.692 8.384 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.164 1.698 9.151 1.00 0.00 C ATOM 1112 CE1 PHE A 66 90.022 1.766 7.058 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.723 1.772 7.824 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.652 1.807 6.778 1.00 0.00 C ATOM 0 H PHE A 66 88.808 -0.642 11.550 1.00 0.00 H new ATOM 0 HA PHE A 66 91.458 0.068 10.333 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.179 1.697 11.549 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.716 2.391 11.070 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.522 1.662 8.599 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.447 1.673 9.958 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.739 1.791 6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.665 1.802 7.608 1.00 0.00 H new ATOM 0 HZ PHE A 66 88.311 1.866 5.755 1.00 0.00 H new ATOM 1124 N GLY A 67 90.867 -0.628 13.350 1.00 0.00 N ATOM 1125 CA GLY A 67 91.430 -0.693 14.727 1.00 0.00 C ATOM 1126 C GLY A 67 90.840 0.440 15.566 1.00 0.00 C ATOM 1127 O GLY A 67 91.132 0.576 16.738 1.00 0.00 O ATOM 0 H GLY A 67 90.111 -1.286 13.161 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.199 -1.656 15.182 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.516 -0.609 14.693 1.00 0.00 H new ATOM 1131 N ASP A 68 90.012 1.259 14.973 1.00 0.00 N ATOM 1132 CA ASP A 68 89.403 2.390 15.730 1.00 0.00 C ATOM 1133 C ASP A 68 88.095 1.933 16.385 1.00 0.00 C ATOM 1134 O ASP A 68 87.032 2.032 15.804 1.00 0.00 O ATOM 1135 CB ASP A 68 89.125 3.547 14.766 1.00 0.00 C ATOM 1136 CG ASP A 68 90.240 3.617 13.722 1.00 0.00 C ATOM 1137 OD1 ASP A 68 91.308 3.091 13.989 1.00 0.00 O ATOM 1138 OD2 ASP A 68 90.007 4.195 12.673 1.00 0.00 O ATOM 0 H ASP A 68 89.731 1.193 13.995 1.00 0.00 H new ATOM 0 HA ASP A 68 90.090 2.720 16.509 1.00 0.00 H new ATOM 0 HB2 ASP A 68 88.162 3.404 14.276 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.067 4.487 15.315 1.00 0.00 H new ATOM 1143 N TYR A 69 88.159 1.441 17.593 1.00 0.00 N ATOM 1144 CA TYR A 69 86.916 0.994 18.280 1.00 0.00 C ATOM 1145 C TYR A 69 85.852 2.086 18.146 1.00 0.00 C ATOM 1146 O TYR A 69 84.686 1.815 17.936 1.00 0.00 O ATOM 1147 CB TYR A 69 87.216 0.746 19.761 1.00 0.00 C ATOM 1148 CG TYR A 69 85.924 0.484 20.497 1.00 0.00 C ATOM 1149 CD1 TYR A 69 85.318 -0.774 20.416 1.00 0.00 C ATOM 1150 CD2 TYR A 69 85.332 1.501 21.254 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.118 -1.016 21.095 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.131 1.260 21.932 1.00 0.00 C ATOM 1153 CZ TYR A 69 83.524 0.001 21.853 1.00 0.00 C ATOM 1154 OH TYR A 69 82.340 -0.238 22.521 1.00 0.00 O ATOM 0 H TYR A 69 89.018 1.330 18.132 1.00 0.00 H new ATOM 0 HA TYR A 69 86.553 0.072 17.827 1.00 0.00 H new ATOM 0 HB2 TYR A 69 87.888 -0.105 19.870 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.723 1.610 20.190 1.00 0.00 H new ATOM 0 HD1 TYR A 69 85.775 -1.558 19.830 1.00 0.00 H new ATOM 0 HD2 TYR A 69 85.801 2.472 21.315 1.00 0.00 H new ATOM 0 HE1 TYR A 69 83.650 -1.987 21.034 1.00 0.00 H new ATOM 0 HE2 TYR A 69 83.673 2.045 22.516 1.00 0.00 H new ATOM 0 HH TYR A 69 82.065 0.572 22.999 1.00 0.00 H new ATOM 1164 N GLN A 70 86.255 3.319 18.256 1.00 0.00 N ATOM 1165 CA GLN A 70 85.283 4.441 18.125 1.00 0.00 C ATOM 1166 C GLN A 70 84.501 4.258 16.832 1.00 0.00 C ATOM 1167 O GLN A 70 83.318 3.979 16.833 1.00 0.00 O ATOM 1168 CB GLN A 70 86.030 5.778 18.055 1.00 0.00 C ATOM 1169 CG GLN A 70 87.091 5.849 19.146 1.00 0.00 C ATOM 1170 CD GLN A 70 86.421 5.808 20.519 1.00 0.00 C ATOM 1171 OE1 GLN A 70 85.885 4.793 20.917 1.00 0.00 O ATOM 1172 NE2 GLN A 70 86.429 6.877 21.267 1.00 0.00 N ATOM 0 H GLN A 70 87.219 3.601 18.432 1.00 0.00 H new ATOM 0 HA GLN A 70 84.615 4.442 18.986 1.00 0.00 H new ATOM 0 HB2 GLN A 70 86.497 5.891 17.076 1.00 0.00 H new ATOM 0 HB3 GLN A 70 85.326 6.602 18.169 1.00 0.00 H new ATOM 0 HG2 GLN A 70 87.787 5.016 19.045 1.00 0.00 H new ATOM 0 HG3 GLN A 70 87.673 6.765 19.042 1.00 0.00 H new ATOM 0 HE21 GLN A 70 86.879 7.729 20.933 1.00 0.00 H new ATOM 0 HE22 GLN A 70 85.985 6.860 22.185 1.00 0.00 H new ATOM 1181 N ASP A 71 85.167 4.413 15.726 1.00 0.00 N ATOM 1182 CA ASP A 71 84.490 4.252 14.417 1.00 0.00 C ATOM 1183 C ASP A 71 83.956 2.826 14.310 1.00 0.00 C ATOM 1184 O ASP A 71 82.959 2.567 13.664 1.00 0.00 O ATOM 1185 CB ASP A 71 85.501 4.516 13.302 1.00 0.00 C ATOM 1186 CG ASP A 71 84.764 4.819 11.994 1.00 0.00 C ATOM 1187 OD1 ASP A 71 83.910 4.032 11.622 1.00 0.00 O ATOM 1188 OD2 ASP A 71 85.068 5.834 11.388 1.00 0.00 O ATOM 0 H ASP A 71 86.159 4.646 15.674 1.00 0.00 H new ATOM 0 HA ASP A 71 83.662 4.955 14.327 1.00 0.00 H new ATOM 0 HB2 ASP A 71 86.142 5.355 13.571 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.148 3.649 13.173 1.00 0.00 H new ATOM 1193 N GLY A 72 84.616 1.901 14.945 1.00 0.00 N ATOM 1194 CA GLY A 72 84.158 0.488 14.892 1.00 0.00 C ATOM 1195 C GLY A 72 84.448 -0.091 13.509 1.00 0.00 C ATOM 1196 O GLY A 72 85.002 0.568 12.652 1.00 0.00 O ATOM 0 H GLY A 72 85.456 2.064 15.500 1.00 0.00 H new ATOM 0 HA2 GLY A 72 84.666 -0.099 15.657 1.00 0.00 H new ATOM 0 HA3 GLY A 72 83.090 0.433 15.104 1.00 0.00 H new ATOM 1200 N TYR A 73 84.078 -1.320 13.285 1.00 0.00 N ATOM 1201 CA TYR A 73 84.332 -1.943 11.959 1.00 0.00 C ATOM 1202 C TYR A 73 83.417 -1.311 10.912 1.00 0.00 C ATOM 1203 O TYR A 73 82.450 -0.650 11.236 1.00 0.00 O ATOM 1204 CB TYR A 73 84.045 -3.442 12.035 1.00 0.00 C ATOM 1205 CG TYR A 73 84.709 -4.018 13.258 1.00 0.00 C ATOM 1206 CD1 TYR A 73 86.088 -4.235 13.258 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.949 -4.338 14.388 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.713 -4.773 14.388 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.572 -4.875 15.521 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.955 -5.092 15.521 1.00 0.00 C ATOM 1211 OH TYR A 73 86.571 -5.622 16.636 1.00 0.00 O ATOM 0 H TYR A 73 83.610 -1.920 13.964 1.00 0.00 H new ATOM 0 HA TYR A 73 85.373 -1.782 11.681 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.970 -3.616 12.076 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.415 -3.940 11.139 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.673 -3.987 12.385 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.882 -4.171 14.386 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.780 -4.942 14.386 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.986 -5.122 16.394 1.00 0.00 H new ATOM 0 HH TYR A 73 85.902 -5.785 17.333 1.00 0.00 H new ATOM 1221 N TYR A 74 83.714 -1.522 9.657 1.00 0.00 N ATOM 1222 CA TYR A 74 82.876 -0.959 8.560 1.00 0.00 C ATOM 1223 C TYR A 74 82.586 -2.071 7.560 1.00 0.00 C ATOM 1224 O TYR A 74 83.454 -2.507 6.835 1.00 0.00 O ATOM 1225 CB TYR A 74 83.640 0.161 7.859 1.00 0.00 C ATOM 1226 CG TYR A 74 82.780 0.763 6.772 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.816 1.727 7.091 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.950 0.359 5.442 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.023 2.285 6.081 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.158 0.916 4.433 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.194 1.879 4.752 1.00 0.00 C ATOM 1232 OH TYR A 74 80.411 2.428 3.757 1.00 0.00 O ATOM 0 H TYR A 74 84.515 -2.070 9.342 1.00 0.00 H new ATOM 0 HA TYR A 74 81.946 -0.560 8.965 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.922 0.929 8.580 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.564 -0.229 7.431 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.684 2.040 8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.694 -0.384 5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.279 3.029 6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.290 0.603 3.408 1.00 0.00 H new ATOM 0 HH TYR A 74 79.562 1.941 3.703 1.00 0.00 H new ATOM 1242 N SER A 75 81.374 -2.541 7.524 1.00 0.00 N ATOM 1243 CA SER A 75 81.007 -3.640 6.581 1.00 0.00 C ATOM 1244 C SER A 75 79.750 -3.265 5.803 1.00 0.00 C ATOM 1245 O SER A 75 78.937 -2.477 6.244 1.00 0.00 O ATOM 1246 CB SER A 75 80.751 -4.920 7.374 1.00 0.00 C ATOM 1247 OG SER A 75 80.576 -6.004 6.472 1.00 0.00 O ATOM 0 H SER A 75 80.610 -2.210 8.113 1.00 0.00 H new ATOM 0 HA SER A 75 81.826 -3.797 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 75 81.588 -5.120 8.043 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.865 -4.804 7.998 1.00 0.00 H new ATOM 0 HG SER A 75 80.917 -5.753 5.588 1.00 0.00 H new ATOM 1253 N VAL A 76 79.595 -3.829 4.638 1.00 0.00 N ATOM 1254 CA VAL A 76 78.401 -3.523 3.801 1.00 0.00 C ATOM 1255 C VAL A 76 78.091 -4.725 2.914 1.00 0.00 C ATOM 1256 O VAL A 76 78.846 -5.675 2.853 1.00 0.00 O ATOM 1257 CB VAL A 76 78.690 -2.304 2.922 1.00 0.00 C ATOM 1258 CG1 VAL A 76 78.864 -1.068 3.805 1.00 0.00 C ATOM 1259 CG2 VAL A 76 79.974 -2.544 2.122 1.00 0.00 C ATOM 0 H VAL A 76 80.250 -4.494 4.226 1.00 0.00 H new ATOM 0 HA VAL A 76 77.548 -3.310 4.445 1.00 0.00 H new ATOM 0 HB VAL A 76 77.858 -2.146 2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.070 -0.200 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 76 77.951 -0.896 4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.696 -1.226 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.180 -1.676 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.806 -2.702 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.851 -3.425 1.492 1.00 0.00 H new ATOM 1269 N GLN A 77 76.986 -4.696 2.227 1.00 0.00 N ATOM 1270 CA GLN A 77 76.631 -5.840 1.351 1.00 0.00 C ATOM 1271 C GLN A 77 77.441 -5.760 0.056 1.00 0.00 C ATOM 1272 O GLN A 77 77.534 -4.722 -0.567 1.00 0.00 O ATOM 1273 CB GLN A 77 75.137 -5.771 1.026 1.00 0.00 C ATOM 1274 CG GLN A 77 74.321 -6.272 2.220 1.00 0.00 C ATOM 1275 CD GLN A 77 72.847 -6.376 1.823 1.00 0.00 C ATOM 1276 OE1 GLN A 77 72.002 -6.666 2.648 1.00 0.00 O ATOM 1277 NE2 GLN A 77 72.499 -6.150 0.586 1.00 0.00 N ATOM 0 H GLN A 77 76.314 -3.929 2.235 1.00 0.00 H new ATOM 0 HA GLN A 77 76.855 -6.779 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.855 -4.746 0.786 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.919 -6.376 0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.691 -7.245 2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 77 74.434 -5.591 3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 77 73.207 -5.907 -0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 77 71.519 -6.217 0.312 1.00 0.00 H new ATOM 1286 N THR A 78 78.022 -6.859 -0.356 1.00 0.00 N ATOM 1287 CA THR A 78 78.828 -6.866 -1.609 1.00 0.00 C ATOM 1288 C THR A 78 78.763 -8.250 -2.244 1.00 0.00 C ATOM 1289 O THR A 78 79.042 -9.251 -1.614 1.00 0.00 O ATOM 1290 CB THR A 78 80.294 -6.554 -1.305 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.934 -7.730 -0.830 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.395 -5.458 -0.244 1.00 0.00 C ATOM 0 H THR A 78 77.970 -7.756 0.127 1.00 0.00 H new ATOM 0 HA THR A 78 78.423 -6.110 -2.282 1.00 0.00 H new ATOM 0 HB THR A 78 80.780 -6.208 -2.217 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.264 -8.429 -0.678 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.444 -5.247 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 78 79.907 -4.554 -0.608 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.906 -5.791 0.671 1.00 0.00 H new ATOM 1300 N THR A 79 78.420 -8.310 -3.492 1.00 0.00 N ATOM 1301 CA THR A 79 78.359 -9.621 -4.185 1.00 0.00 C ATOM 1302 C THR A 79 79.781 -10.040 -4.549 1.00 0.00 C ATOM 1303 O THR A 79 80.064 -11.202 -4.769 1.00 0.00 O ATOM 1304 CB THR A 79 77.534 -9.479 -5.462 1.00 0.00 C ATOM 1305 OG1 THR A 79 76.218 -9.060 -5.129 1.00 0.00 O ATOM 1306 CG2 THR A 79 77.478 -10.822 -6.190 1.00 0.00 C ATOM 0 H THR A 79 78.177 -7.504 -4.068 1.00 0.00 H new ATOM 0 HA THR A 79 77.899 -10.368 -3.538 1.00 0.00 H new ATOM 0 HB THR A 79 77.997 -8.738 -6.113 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.687 -8.967 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.889 -10.718 -7.101 1.00 0.00 H new ATOM 0 HG22 THR A 79 78.489 -11.139 -6.446 1.00 0.00 H new ATOM 0 HG23 THR A 79 77.017 -11.568 -5.543 1.00 0.00 H new ATOM 1314 N GLU A 80 80.675 -9.086 -4.614 1.00 0.00 N ATOM 1315 CA GLU A 80 82.098 -9.378 -4.965 1.00 0.00 C ATOM 1316 C GLU A 80 82.997 -9.032 -3.781 1.00 0.00 C ATOM 1317 O GLU A 80 84.139 -8.652 -3.945 1.00 0.00 O ATOM 1318 CB GLU A 80 82.505 -8.528 -6.168 1.00 0.00 C ATOM 1319 CG GLU A 80 81.590 -8.848 -7.352 1.00 0.00 C ATOM 1320 CD GLU A 80 82.194 -8.277 -8.636 1.00 0.00 C ATOM 1321 OE1 GLU A 80 83.015 -7.380 -8.534 1.00 0.00 O ATOM 1322 OE2 GLU A 80 81.825 -8.746 -9.700 1.00 0.00 O ATOM 0 H GLU A 80 80.475 -8.102 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 80 82.203 -10.436 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.437 -7.469 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.543 -8.727 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 80 81.464 -9.927 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 80 80.600 -8.424 -7.184 1.00 0.00 H new ATOM 1329 N GLY A 81 82.493 -9.164 -2.589 1.00 0.00 N ATOM 1330 CA GLY A 81 83.320 -8.845 -1.391 1.00 0.00 C ATOM 1331 C GLY A 81 84.668 -9.553 -1.505 1.00 0.00 C ATOM 1332 O GLY A 81 85.610 -9.240 -0.804 1.00 0.00 O ATOM 0 H GLY A 81 81.544 -9.479 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.468 -7.768 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.805 -9.163 -0.484 1.00 0.00 H new ATOM 1336 N GLU A 82 84.767 -10.504 -2.390 1.00 0.00 N ATOM 1337 CA GLU A 82 86.050 -11.236 -2.563 1.00 0.00 C ATOM 1338 C GLU A 82 87.000 -10.376 -3.397 1.00 0.00 C ATOM 1339 O GLU A 82 88.090 -10.040 -2.976 1.00 0.00 O ATOM 1340 CB GLU A 82 85.767 -12.563 -3.283 1.00 0.00 C ATOM 1341 CG GLU A 82 87.058 -13.136 -3.870 1.00 0.00 C ATOM 1342 CD GLU A 82 86.878 -14.627 -4.169 1.00 0.00 C ATOM 1343 OE1 GLU A 82 85.761 -15.023 -4.458 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.861 -15.346 -4.104 1.00 0.00 O ATOM 0 H GLU A 82 84.010 -10.807 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 82 86.508 -11.442 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.329 -13.277 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.037 -12.405 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.321 -12.602 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.881 -12.993 -3.170 1.00 0.00 H new ATOM 1351 N GLN A 83 86.586 -10.017 -4.574 1.00 0.00 N ATOM 1352 CA GLN A 83 87.446 -9.175 -5.448 1.00 0.00 C ATOM 1353 C GLN A 83 87.861 -7.943 -4.666 1.00 0.00 C ATOM 1354 O GLN A 83 89.017 -7.570 -4.629 1.00 0.00 O ATOM 1355 CB GLN A 83 86.667 -8.744 -6.691 1.00 0.00 C ATOM 1356 CG GLN A 83 86.025 -9.956 -7.356 1.00 0.00 C ATOM 1357 CD GLN A 83 85.029 -9.489 -8.412 1.00 0.00 C ATOM 1358 OE1 GLN A 83 85.189 -8.436 -8.998 1.00 0.00 O ATOM 1359 NE2 GLN A 83 83.999 -10.237 -8.678 1.00 0.00 N ATOM 0 H GLN A 83 85.682 -10.271 -4.973 1.00 0.00 H new ATOM 0 HA GLN A 83 88.322 -9.743 -5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.899 -8.022 -6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.335 -8.246 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.791 -10.581 -7.815 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.519 -10.568 -6.609 1.00 0.00 H new ATOM 0 HE21 GLN A 83 83.869 -11.120 -8.184 1.00 0.00 H new ATOM 0 HE22 GLN A 83 83.322 -9.941 -9.381 1.00 0.00 H new ATOM 1368 N ILE A 84 86.923 -7.321 -4.019 1.00 0.00 N ATOM 1369 CA ILE A 84 87.254 -6.122 -3.209 1.00 0.00 C ATOM 1370 C ILE A 84 88.369 -6.511 -2.241 1.00 0.00 C ATOM 1371 O ILE A 84 89.181 -5.699 -1.842 1.00 0.00 O ATOM 1372 CB ILE A 84 86.013 -5.679 -2.430 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.866 -5.428 -3.415 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.314 -4.390 -1.660 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.636 -4.914 -2.663 1.00 0.00 C ATOM 0 H ILE A 84 85.939 -7.591 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 84 87.577 -5.298 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 84 85.731 -6.459 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.173 -4.701 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.621 -6.349 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.427 -4.080 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.133 -4.566 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.597 -3.605 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.825 -4.738 -3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.323 -5.656 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.883 -3.982 -2.155 1.00 0.00 H new ATOM 1387 N ALA A 85 88.415 -7.764 -1.875 1.00 0.00 N ATOM 1388 CA ALA A 85 89.475 -8.243 -0.947 1.00 0.00 C ATOM 1389 C ALA A 85 90.734 -8.562 -1.754 1.00 0.00 C ATOM 1390 O ALA A 85 91.842 -8.437 -1.274 1.00 0.00 O ATOM 1391 CB ALA A 85 88.983 -9.504 -0.230 1.00 0.00 C ATOM 0 H ALA A 85 87.757 -8.480 -2.183 1.00 0.00 H new ATOM 0 HA ALA A 85 89.702 -7.475 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.756 -9.860 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 85 88.080 -9.273 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.763 -10.278 -0.965 1.00 0.00 H new ATOM 1397 N GLN A 86 90.567 -8.971 -2.983 1.00 0.00 N ATOM 1398 CA GLN A 86 91.744 -9.299 -3.830 1.00 0.00 C ATOM 1399 C GLN A 86 92.319 -8.010 -4.401 1.00 0.00 C ATOM 1400 O GLN A 86 93.516 -7.846 -4.530 1.00 0.00 O ATOM 1401 CB GLN A 86 91.299 -10.210 -4.972 1.00 0.00 C ATOM 1402 CG GLN A 86 92.516 -10.875 -5.606 1.00 0.00 C ATOM 1403 CD GLN A 86 92.132 -11.480 -6.954 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.989 -11.417 -7.360 1.00 0.00 O ATOM 1405 NE2 GLN A 86 93.048 -12.069 -7.668 1.00 0.00 N ATOM 0 H GLN A 86 89.661 -9.092 -3.436 1.00 0.00 H new ATOM 0 HA GLN A 86 92.503 -9.806 -3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.612 -10.969 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.758 -9.632 -5.721 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.313 -10.144 -5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.903 -11.651 -4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 86 94.007 -12.121 -7.325 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.806 -12.479 -8.570 1.00 0.00 H new ATOM 1414 N LEU A 87 91.465 -7.090 -4.731 1.00 0.00 N ATOM 1415 CA LEU A 87 91.938 -5.799 -5.282 1.00 0.00 C ATOM 1416 C LEU A 87 92.654 -5.050 -4.170 1.00 0.00 C ATOM 1417 O LEU A 87 93.696 -4.456 -4.362 1.00 0.00 O ATOM 1418 CB LEU A 87 90.731 -4.987 -5.761 1.00 0.00 C ATOM 1419 CG LEU A 87 91.179 -3.598 -6.228 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.246 -3.729 -7.330 1.00 0.00 C ATOM 1421 CD2 LEU A 87 89.963 -2.844 -6.774 1.00 0.00 C ATOM 0 H LEU A 87 90.453 -7.178 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 87 92.614 -5.960 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.233 -5.510 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 87 90.005 -4.891 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 87 91.609 -3.052 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.557 -2.736 -7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.108 -4.270 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 87 91.829 -4.274 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.270 -1.853 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.539 -3.396 -7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.214 -2.745 -5.989 1.00 0.00 H new ATOM 1433 N ILE A 88 92.089 -5.089 -3.002 1.00 0.00 N ATOM 1434 CA ILE A 88 92.704 -4.401 -1.843 1.00 0.00 C ATOM 1435 C ILE A 88 93.923 -5.202 -1.381 1.00 0.00 C ATOM 1436 O ILE A 88 95.010 -4.678 -1.242 1.00 0.00 O ATOM 1437 CB ILE A 88 91.667 -4.321 -0.716 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.624 -3.253 -1.069 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.355 -3.956 0.607 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.474 -3.288 -0.061 1.00 0.00 C ATOM 0 H ILE A 88 91.216 -5.575 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 88 93.021 -3.395 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 88 91.179 -5.289 -0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 88 91.088 -2.267 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.242 -3.426 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.611 -3.902 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 88 93.095 -4.717 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.849 -2.990 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.739 -2.526 -0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 88 89.001 -4.270 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.861 -3.093 0.939 1.00 0.00 H new ATOM 1452 N ALA A 89 93.748 -6.472 -1.150 1.00 0.00 N ATOM 1453 CA ALA A 89 94.893 -7.312 -0.702 1.00 0.00 C ATOM 1454 C ALA A 89 96.007 -7.229 -1.745 1.00 0.00 C ATOM 1455 O ALA A 89 97.143 -7.574 -1.488 1.00 0.00 O ATOM 1456 CB ALA A 89 94.439 -8.765 -0.559 1.00 0.00 C ATOM 0 H ALA A 89 92.861 -6.965 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 89 95.257 -6.953 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.279 -9.378 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.637 -8.825 0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.077 -9.130 -1.521 1.00 0.00 H new ATOM 1462 N GLY A 90 95.681 -6.784 -2.929 1.00 0.00 N ATOM 1463 CA GLY A 90 96.707 -6.687 -4.007 1.00 0.00 C ATOM 1464 C GLY A 90 97.435 -5.342 -3.937 1.00 0.00 C ATOM 1465 O GLY A 90 98.558 -5.220 -4.381 1.00 0.00 O ATOM 0 H GLY A 90 94.744 -6.482 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.425 -7.501 -3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.231 -6.799 -4.981 1.00 0.00 H new ATOM 1469 N TYR A 91 96.815 -4.326 -3.394 1.00 0.00 N ATOM 1470 CA TYR A 91 97.501 -2.999 -3.319 1.00 0.00 C ATOM 1471 C TYR A 91 98.386 -2.953 -2.071 1.00 0.00 C ATOM 1472 O TYR A 91 99.377 -2.253 -2.026 1.00 0.00 O ATOM 1473 CB TYR A 91 96.454 -1.874 -3.230 1.00 0.00 C ATOM 1474 CG TYR A 91 95.904 -1.533 -4.605 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.762 -1.104 -5.632 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.526 -1.624 -4.845 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.240 -0.777 -6.889 1.00 0.00 C ATOM 1478 CE2 TYR A 91 94.008 -1.294 -6.101 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.865 -0.872 -7.124 1.00 0.00 C ATOM 1480 OH TYR A 91 94.353 -0.547 -8.363 1.00 0.00 O ATOM 0 H TYR A 91 95.873 -4.355 -3.003 1.00 0.00 H new ATOM 0 HA TYR A 91 98.110 -2.862 -4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.639 -2.181 -2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.905 -0.987 -2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.824 -1.027 -5.451 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.863 -1.950 -4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.901 -0.451 -7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.946 -1.365 -6.282 1.00 0.00 H new ATOM 0 HH TYR A 91 93.381 -0.669 -8.357 1.00 0.00 H new ATOM 1490 N ILE A 92 98.025 -3.680 -1.056 1.00 0.00 N ATOM 1491 CA ILE A 92 98.830 -3.665 0.195 1.00 0.00 C ATOM 1492 C ILE A 92 100.219 -4.253 -0.063 1.00 0.00 C ATOM 1493 O ILE A 92 101.171 -3.950 0.628 1.00 0.00 O ATOM 1494 CB ILE A 92 98.108 -4.492 1.254 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.729 -3.873 1.504 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.924 -4.485 2.548 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.915 -4.772 2.437 1.00 0.00 C ATOM 0 H ILE A 92 97.205 -4.286 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 92 98.947 -2.638 0.541 1.00 0.00 H new ATOM 0 HB ILE A 92 97.993 -5.521 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.840 -2.882 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.202 -3.744 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.409 -5.076 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.908 -4.914 2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 92 99.037 -3.460 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.936 -4.325 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.790 -5.753 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.438 -4.879 3.387 1.00 0.00 H new ATOM 1509 N ASP A 93 100.340 -5.097 -1.047 1.00 0.00 N ATOM 1510 CA ASP A 93 101.662 -5.714 -1.353 1.00 0.00 C ATOM 1511 C ASP A 93 102.478 -4.787 -2.259 1.00 0.00 C ATOM 1512 O ASP A 93 103.685 -4.892 -2.347 1.00 0.00 O ATOM 1513 CB ASP A 93 101.434 -7.049 -2.064 1.00 0.00 C ATOM 1514 CG ASP A 93 100.973 -8.098 -1.050 1.00 0.00 C ATOM 1515 OD1 ASP A 93 100.584 -7.709 0.039 1.00 0.00 O ATOM 1516 OD2 ASP A 93 101.017 -9.271 -1.379 1.00 0.00 O ATOM 0 H ASP A 93 99.576 -5.389 -1.657 1.00 0.00 H new ATOM 0 HA ASP A 93 102.211 -5.874 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.685 -6.932 -2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.354 -7.376 -2.548 1.00 0.00 H new ATOM 1521 N ILE A 94 101.823 -3.895 -2.949 1.00 0.00 N ATOM 1522 CA ILE A 94 102.549 -2.972 -3.871 1.00 0.00 C ATOM 1523 C ILE A 94 103.033 -1.735 -3.115 1.00 0.00 C ATOM 1524 O ILE A 94 103.949 -1.061 -3.539 1.00 0.00 O ATOM 1525 CB ILE A 94 101.609 -2.548 -4.997 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.096 -3.801 -5.715 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.370 -1.661 -5.986 1.00 0.00 C ATOM 1528 CD1 ILE A 94 99.992 -3.422 -6.704 1.00 0.00 C ATOM 0 H ILE A 94 100.812 -3.764 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 94 103.415 -3.489 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 94 100.767 -1.989 -4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.916 -4.290 -6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.714 -4.516 -4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.701 -1.357 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.742 -0.776 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.209 -2.218 -6.403 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.633 -4.318 -7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.167 -2.954 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.388 -2.723 -7.441 1.00 0.00 H new ATOM 1540 N ILE A 95 102.432 -1.430 -2.001 1.00 0.00 N ATOM 1541 CA ILE A 95 102.871 -0.231 -1.226 1.00 0.00 C ATOM 1542 C ILE A 95 104.065 -0.610 -0.359 1.00 0.00 C ATOM 1543 O ILE A 95 104.944 0.187 -0.099 1.00 0.00 O ATOM 1544 CB ILE A 95 101.735 0.248 -0.324 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.231 -0.916 0.531 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.590 0.784 -1.182 1.00 0.00 C ATOM 1547 CD1 ILE A 95 100.041 -0.450 1.374 1.00 0.00 C ATOM 0 H ILE A 95 101.659 -1.954 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 95 103.145 0.566 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 95 102.103 1.042 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.935 -1.749 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 95 102.030 -1.279 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.781 1.125 -0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 95 100.948 1.617 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.224 -0.008 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.681 -1.278 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.353 0.369 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.241 -0.108 0.717 1.00 0.00 H new ATOM 1559 N LEU A 96 104.087 -1.825 0.096 1.00 0.00 N ATOM 1560 CA LEU A 96 105.205 -2.287 0.962 1.00 0.00 C ATOM 1561 C LEU A 96 106.412 -2.650 0.089 1.00 0.00 C ATOM 1562 O LEU A 96 107.543 -2.630 0.535 1.00 0.00 O ATOM 1563 CB LEU A 96 104.727 -3.520 1.746 1.00 0.00 C ATOM 1564 CG LEU A 96 104.042 -3.086 3.060 1.00 0.00 C ATOM 1565 CD1 LEU A 96 103.061 -4.171 3.514 1.00 0.00 C ATOM 1566 CD2 LEU A 96 105.097 -2.877 4.156 1.00 0.00 C ATOM 0 H LEU A 96 103.372 -2.527 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 96 105.502 -1.500 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 96 104.031 -4.098 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.574 -4.170 1.967 1.00 0.00 H new ATOM 0 HG LEU A 96 103.506 -2.153 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.580 -3.861 4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 96 102.304 -4.322 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.601 -5.103 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.606 -2.571 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.637 -3.809 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.798 -2.103 3.844 1.00 0.00 H new ATOM 1578 N LYS A 97 106.178 -2.983 -1.145 1.00 0.00 N ATOM 1579 CA LYS A 97 107.304 -3.352 -2.047 1.00 0.00 C ATOM 1580 C LYS A 97 108.181 -2.125 -2.310 1.00 0.00 C ATOM 1581 O LYS A 97 109.355 -2.241 -2.598 1.00 0.00 O ATOM 1582 CB LYS A 97 106.743 -3.880 -3.371 1.00 0.00 C ATOM 1583 CG LYS A 97 107.897 -4.270 -4.333 1.00 0.00 C ATOM 1584 CD LYS A 97 108.115 -3.170 -5.380 1.00 0.00 C ATOM 1585 CE LYS A 97 109.486 -3.346 -6.038 1.00 0.00 C ATOM 1586 NZ LYS A 97 109.610 -4.736 -6.560 1.00 0.00 N ATOM 0 H LYS A 97 105.252 -3.016 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 97 107.908 -4.126 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 97 106.109 -4.747 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 97 106.115 -3.120 -3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 97 108.814 -4.428 -3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 97 107.663 -5.212 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 97 107.330 -3.213 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 97 108.050 -2.189 -4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 97 109.607 -2.629 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 97 110.277 -3.145 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 110.370 -4.774 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 109.835 -5.382 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 108.712 -5.023 -6.999 1.00 0.00 H new ATOM 1600 N LYS A 98 107.622 -0.950 -2.216 1.00 0.00 N ATOM 1601 CA LYS A 98 108.423 0.279 -2.462 1.00 0.00 C ATOM 1602 C LYS A 98 109.403 0.489 -1.309 1.00 0.00 C ATOM 1603 O LYS A 98 110.588 0.670 -1.511 1.00 0.00 O ATOM 1604 CB LYS A 98 107.486 1.486 -2.555 1.00 0.00 C ATOM 1605 CG LYS A 98 106.354 1.193 -3.545 1.00 0.00 C ATOM 1606 CD LYS A 98 106.928 1.001 -4.954 1.00 0.00 C ATOM 1607 CE LYS A 98 105.817 1.172 -5.993 1.00 0.00 C ATOM 1608 NZ LYS A 98 105.405 2.602 -6.050 1.00 0.00 N ATOM 0 H LYS A 98 106.643 -0.789 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 98 108.976 0.171 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 98 107.072 1.712 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 98 108.043 2.366 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 98 105.814 0.297 -3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 98 105.637 2.014 -3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 98 107.723 1.725 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 98 107.373 0.010 -5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 98 106.167 0.844 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 98 104.963 0.547 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 105.028 2.817 -6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 104.671 2.781 -5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 106.228 3.208 -5.860 1.00 0.00 H new ATOM 1622 N LYS A 99 108.918 0.473 -0.099 1.00 0.00 N ATOM 1623 CA LYS A 99 109.819 0.677 1.067 1.00 0.00 C ATOM 1624 C LYS A 99 110.729 -0.540 1.235 1.00 0.00 C ATOM 1625 O LYS A 99 111.923 -0.413 1.425 1.00 0.00 O ATOM 1626 CB LYS A 99 108.980 0.867 2.328 1.00 0.00 C ATOM 1627 CG LYS A 99 107.921 1.940 2.077 1.00 0.00 C ATOM 1628 CD LYS A 99 107.180 2.244 3.380 1.00 0.00 C ATOM 1629 CE LYS A 99 106.203 3.400 3.156 1.00 0.00 C ATOM 1630 NZ LYS A 99 106.954 4.605 2.703 1.00 0.00 N ATOM 0 H LYS A 99 107.935 0.327 0.132 1.00 0.00 H new ATOM 0 HA LYS A 99 110.432 1.563 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 99 108.503 -0.073 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 99 109.618 1.159 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 99 108.390 2.846 1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 99 107.217 1.600 1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 99 106.641 1.359 3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 99 107.892 2.503 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 99 105.458 3.121 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 99 105.665 3.619 4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 106.410 5.461 2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 107.876 4.641 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 107.101 4.556 1.675 1.00 0.00 H new ATOM 1644 N LYS A 100 110.177 -1.721 1.168 1.00 0.00 N ATOM 1645 CA LYS A 100 111.010 -2.947 1.324 1.00 0.00 C ATOM 1646 C LYS A 100 111.629 -3.321 -0.024 1.00 0.00 C ATOM 1647 O LYS A 100 111.025 -3.009 -1.037 1.00 0.00 O ATOM 1648 CB LYS A 100 110.131 -4.098 1.818 1.00 0.00 C ATOM 1649 CG LYS A 100 109.607 -3.774 3.218 1.00 0.00 C ATOM 1650 CD LYS A 100 108.982 -5.027 3.832 1.00 0.00 C ATOM 1651 CE LYS A 100 108.557 -4.733 5.271 1.00 0.00 C ATOM 1652 NZ LYS A 100 109.766 -4.654 6.139 1.00 0.00 N ATOM 1653 OXT LYS A 100 112.697 -3.911 -0.021 1.00 0.00 O ATOM 0 H LYS A 100 109.183 -1.890 1.012 1.00 0.00 H new ATOM 0 HA LYS A 100 111.804 -2.757 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 100 109.298 -4.253 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 100 110.704 -5.025 1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 100 110.421 -3.415 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 100 108.868 -2.975 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 100 108.120 -5.341 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 100 109.697 -5.849 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 100 108.003 -3.795 5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 100 107.888 -5.515 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 109.482 -4.726 7.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 110.413 -5.434 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 110.248 -3.746 5.981 1.00 0.00 H new TER 1667 LYS A 100 ATOM 1668 N SER B 1 87.019 -17.555 11.637 1.00 0.00 N ATOM 1669 CA SER B 1 87.816 -17.415 10.386 1.00 0.00 C ATOM 1670 C SER B 1 88.050 -15.933 10.093 1.00 0.00 C ATOM 1671 O SER B 1 87.187 -15.105 10.304 1.00 0.00 O ATOM 1672 CB SER B 1 87.054 -18.048 9.222 1.00 0.00 C ATOM 1673 OG SER B 1 85.701 -17.614 9.257 1.00 0.00 O ATOM 0 H1 SER B 1 87.207 -18.483 12.067 1.00 0.00 H new ATOM 0 H2 SER B 1 87.286 -16.804 12.305 1.00 0.00 H new ATOM 0 H3 SER B 1 86.006 -17.476 11.414 1.00 0.00 H new ATOM 0 HA SER B 1 88.775 -17.918 10.510 1.00 0.00 H new ATOM 0 HB2 SER B 1 87.514 -17.767 8.275 1.00 0.00 H new ATOM 0 HB3 SER B 1 87.101 -19.135 9.289 1.00 0.00 H new ATOM 0 HG SER B 1 85.209 -18.016 8.511 1.00 0.00 H new ATOM 1681 N TRP B 2 89.211 -15.593 9.607 1.00 0.00 N ATOM 1682 CA TRP B 2 89.502 -14.164 9.300 1.00 0.00 C ATOM 1683 C TRP B 2 90.709 -14.088 8.359 1.00 0.00 C ATOM 1684 O TRP B 2 91.291 -15.089 7.988 1.00 0.00 O ATOM 1685 CB TRP B 2 89.815 -13.412 10.613 1.00 0.00 C ATOM 1686 CG TRP B 2 88.561 -12.855 11.212 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.853 -13.429 12.208 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.869 -11.619 10.876 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.766 -12.624 12.506 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.734 -11.496 11.710 1.00 0.00 C ATOM 1691 CE3 TRP B 2 88.114 -10.604 9.935 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.874 -10.401 11.616 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 87.251 -9.501 9.838 1.00 0.00 C ATOM 1694 CH2 TRP B 2 86.135 -9.400 10.677 1.00 0.00 C ATOM 0 H TRP B 2 89.972 -16.243 9.409 1.00 0.00 H new ATOM 0 HA TRP B 2 88.638 -13.705 8.820 1.00 0.00 H new ATOM 0 HB2 TRP B 2 90.293 -14.089 11.321 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.521 -12.605 10.417 1.00 0.00 H new ATOM 0 HD1 TRP B 2 88.095 -14.363 12.693 1.00 0.00 H new ATOM 0 HE1 TRP B 2 86.075 -12.838 13.225 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.972 -10.673 9.282 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 85.013 -10.328 12.264 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.449 -8.726 9.112 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.476 -8.548 10.598 1.00 0.00 H new ATOM 1705 N VAL B 3 91.090 -12.899 7.983 1.00 0.00 N ATOM 1706 CA VAL B 3 92.257 -12.718 7.080 1.00 0.00 C ATOM 1707 C VAL B 3 92.906 -11.372 7.409 1.00 0.00 C ATOM 1708 O VAL B 3 92.229 -10.399 7.672 1.00 0.00 O ATOM 1709 CB VAL B 3 91.788 -12.744 5.623 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.591 -11.813 5.467 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.927 -12.287 4.701 1.00 0.00 C ATOM 0 H VAL B 3 90.634 -12.033 8.269 1.00 0.00 H new ATOM 0 HA VAL B 3 92.980 -13.521 7.220 1.00 0.00 H new ATOM 0 HB VAL B 3 91.499 -13.759 5.350 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.252 -11.827 4.431 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.783 -12.147 6.118 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.881 -10.798 5.740 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.587 -12.308 3.665 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.224 -11.272 4.965 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.779 -12.956 4.817 1.00 0.00 H new HETATM 1721 N PTR B 4 94.215 -11.319 7.423 1.00 0.00 N HETATM 1722 CA PTR B 4 94.928 -10.045 7.766 1.00 0.00 C HETATM 1723 C PTR B 4 95.800 -9.602 6.590 1.00 0.00 C HETATM 1724 O PTR B 4 95.656 -10.080 5.481 1.00 0.00 O HETATM 1725 CB PTR B 4 95.815 -10.290 8.993 1.00 0.00 C HETATM 1726 CG PTR B 4 94.958 -10.355 10.240 1.00 0.00 C HETATM 1727 CD1 PTR B 4 94.042 -11.403 10.410 1.00 0.00 C HETATM 1728 CD2 PTR B 4 95.079 -9.368 11.230 1.00 0.00 C HETATM 1729 CE1 PTR B 4 93.252 -11.464 11.563 1.00 0.00 C HETATM 1730 CE2 PTR B 4 94.287 -9.430 12.382 1.00 0.00 C HETATM 1731 CZ PTR B 4 93.374 -10.478 12.549 1.00 0.00 C HETATM 1732 OH PTR B 4 92.537 -10.543 13.768 1.00 0.00 O HETATM 1733 P PTR B 4 93.238 -11.351 14.790 1.00 0.00 P HETATM 1734 O1P PTR B 4 92.579 -11.167 16.102 1.00 0.00 O HETATM 1735 O2P PTR B 4 94.649 -10.914 14.881 1.00 0.00 O HETATM 1736 O3P PTR B 4 93.187 -12.780 14.409 1.00 0.00 O HETATM 0 HE2 PTR B 4 94.381 -8.662 13.150 1.00 0.00 H new HETATM 0 HE1 PTR B 4 92.541 -12.280 11.694 1.00 0.00 H new HETATM 0 HD2 PTR B 4 95.791 -8.552 11.102 1.00 0.00 H new HETATM 0 HD1 PTR B 4 93.945 -12.171 9.643 1.00 0.00 H new HETATM 0 HB3 PTR B 4 96.369 -11.221 8.873 1.00 0.00 H new HETATM 0 HB2 PTR B 4 96.550 -9.491 9.087 1.00 0.00 H new HETATM 0 HA PTR B 4 94.198 -9.264 7.980 1.00 0.00 H new ATOM 1745 N SER B 5 96.706 -8.686 6.832 1.00 0.00 N ATOM 1746 CA SER B 5 97.607 -8.185 5.748 1.00 0.00 C ATOM 1747 C SER B 5 99.045 -8.136 6.297 1.00 0.00 C ATOM 1748 O SER B 5 99.231 -8.152 7.498 1.00 0.00 O ATOM 1749 CB SER B 5 97.149 -6.772 5.339 1.00 0.00 C ATOM 1750 OG SER B 5 98.122 -5.814 5.739 1.00 0.00 O ATOM 0 H SER B 5 96.861 -8.259 7.745 1.00 0.00 H new ATOM 0 HA SER B 5 97.571 -8.840 4.878 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.002 -6.726 4.260 1.00 0.00 H new ATOM 0 HB3 SER B 5 96.189 -6.543 5.801 1.00 0.00 H new ATOM 0 HG SER B 5 98.187 -5.803 6.717 1.00 0.00 H new ATOM 1756 N PRO B 6 100.029 -8.067 5.421 1.00 0.00 N ATOM 1757 CA PRO B 6 101.435 -8.004 5.859 1.00 0.00 C ATOM 1758 C PRO B 6 101.653 -6.739 6.702 1.00 0.00 C ATOM 1759 O PRO B 6 102.543 -6.675 7.527 1.00 0.00 O ATOM 1760 CB PRO B 6 102.260 -7.961 4.550 1.00 0.00 C ATOM 1761 CG PRO B 6 101.251 -7.864 3.369 1.00 0.00 C ATOM 1762 CD PRO B 6 99.833 -8.045 3.955 1.00 0.00 C ATOM 0 HA PRO B 6 101.727 -8.850 6.481 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.935 -7.105 4.550 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.877 -8.854 4.455 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.339 -6.900 2.868 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.459 -8.631 2.623 1.00 0.00 H new ATOM 0 HD2 PRO B 6 99.175 -7.229 3.656 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.375 -8.969 3.603 1.00 0.00 H new ATOM 1770 N LEU B 7 100.845 -5.731 6.497 1.00 0.00 N ATOM 1771 CA LEU B 7 101.001 -4.473 7.278 1.00 0.00 C ATOM 1772 C LEU B 7 101.172 -4.810 8.762 1.00 0.00 C ATOM 1773 O LEU B 7 100.303 -5.389 9.382 1.00 0.00 O ATOM 1774 CB LEU B 7 99.755 -3.597 7.094 1.00 0.00 C ATOM 1775 CG LEU B 7 99.658 -3.103 5.636 1.00 0.00 C ATOM 1776 CD1 LEU B 7 98.209 -2.707 5.322 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.565 -1.879 5.426 1.00 0.00 C ATOM 0 H LEU B 7 100.082 -5.727 5.820 1.00 0.00 H new ATOM 0 HA LEU B 7 101.880 -3.934 6.924 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.861 -4.165 7.353 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.798 -2.744 7.772 1.00 0.00 H new ATOM 0 HG LEU B 7 99.978 -3.907 4.974 1.00 0.00 H new ATOM 0 HD11 LEU B 7 98.142 -2.358 4.291 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.559 -3.571 5.455 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.896 -1.910 5.996 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.487 -1.541 4.393 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.254 -1.077 6.095 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.598 -2.151 5.641 1.00 0.00 H new ATOM 1789 N HIS B 8 102.289 -4.453 9.334 1.00 0.00 N ATOM 1790 CA HIS B 8 102.518 -4.753 10.773 1.00 0.00 C ATOM 1791 C HIS B 8 101.443 -4.064 11.615 1.00 0.00 C ATOM 1792 O HIS B 8 101.300 -2.860 11.487 1.00 0.00 O ATOM 1793 CB HIS B 8 103.897 -4.235 11.182 1.00 0.00 C ATOM 1794 CG HIS B 8 104.083 -2.839 10.657 1.00 0.00 C ATOM 1795 ND1 HIS B 8 103.580 -1.729 11.316 1.00 0.00 N ATOM 1796 CD2 HIS B 8 104.714 -2.356 9.537 1.00 0.00 C ATOM 1797 CE1 HIS B 8 103.914 -0.643 10.595 1.00 0.00 C ATOM 1798 NE2 HIS B 8 104.606 -0.969 9.500 1.00 0.00 N ATOM 1799 OXT HIS B 8 100.780 -4.754 12.373 1.00 0.00 O ATOM 0 H HIS B 8 103.053 -3.966 8.865 1.00 0.00 H new ATOM 0 HA HIS B 8 102.469 -5.830 10.935 1.00 0.00 H new ATOM 0 HB2 HIS B 8 103.993 -4.243 12.268 1.00 0.00 H new ATOM 0 HB3 HIS B 8 104.675 -4.890 10.789 1.00 0.00 H new ATOM 0 HD1 HIS B 8 103.052 -1.734 12.189 1.00 0.00 H new ATOM 0 HD2 HIS B 8 105.218 -2.961 8.797 1.00 0.00 H new ATOM 0 HE1 HIS B 8 103.654 0.369 10.868 1.00 0.00 H new TER 1807 HIS B 8