USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 953 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 GLN : amide:sc= -0.352 X(o=-1.5,f=-1.3) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= -1.15 USER MOD Set 2.1: A 29 SER OG : rot 180:sc= -0.777 USER MOD Set 2.2: A 96 GLN : amide:sc= -1.27 K(o=-2,f=-3.3!) USER MOD Set 3.1: A 18 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 87 MET CE :methyl 154:sc= -0.403 (180deg=-1.19) USER MOD Single : A 10 GLN : amide:sc= -1.47 K(o=-1.5,f=-7.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.966 USER MOD Single : A 21 GLN : amide:sc= -0.82 K(o=-0.82,f=-0.18) USER MOD Single : A 27 THR OG1 : rot 37:sc= -0.683! USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0111) USER MOD Single : A 38 TYR OH : rot 150:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.4) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -2.87! C(o=-2.9!,f=-2.3!) USER MOD Single : A 57 SER OG : rot 151:sc= 1.31 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 41:sc= 0.00278 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.225 K(o=-0.22,f=-1.5!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.807 USER MOD Single : A 81 MET CE :methyl -146:sc= -0.0821 (180deg=-0.522) USER MOD Single : A 82 GLN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.021 USER MOD Single : A 88 THR OG1 : rot 100:sc= 1.24 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.004 X(o=-0.004,f=-0.025) USER MOD Single : A 94 LYS NZ :NH3+ -105:sc= -0.594 (180deg=-2.23!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00886) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.12) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 4 2.729 -3.207 -9.969 1.00 24.14 N ATOM 58 CA GLY A 4 2.750 -4.312 -10.910 1.00 3.52 C ATOM 59 C GLY A 4 1.358 -4.767 -11.300 1.00 43.02 C ATOM 60 O GLY A 4 1.177 -5.882 -11.792 1.00 14.24 O ATOM 0 HA2 GLY A 4 3.295 -4.013 -11.805 1.00 3.52 H new ATOM 0 HA3 GLY A 4 3.293 -5.149 -10.471 1.00 3.52 H new ATOM 64 N LEU A 5 0.372 -3.905 -11.080 1.00 41.44 N ATOM 65 CA LEU A 5 -1.012 -4.225 -11.411 1.00 52.33 C ATOM 66 C LEU A 5 -1.712 -3.026 -12.043 1.00 53.12 C ATOM 67 O LEU A 5 -1.275 -1.886 -11.885 1.00 74.44 O ATOM 68 CB LEU A 5 -1.768 -4.668 -10.157 1.00 65.02 C ATOM 69 CG LEU A 5 -1.949 -6.176 -9.981 1.00 30.11 C ATOM 70 CD1 LEU A 5 -2.658 -6.773 -11.187 1.00 3.12 C ATOM 71 CD2 LEU A 5 -0.604 -6.853 -9.761 1.00 60.14 C ATOM 0 H LEU A 5 0.505 -2.979 -10.674 1.00 41.44 H new ATOM 0 HA LEU A 5 -1.007 -5.042 -12.133 1.00 52.33 H new ATOM 0 HB2 LEU A 5 -1.242 -4.281 -9.284 1.00 65.02 H new ATOM 0 HB3 LEU A 5 -2.754 -4.203 -10.168 1.00 65.02 H new ATOM 0 HG LEU A 5 -2.568 -6.348 -9.100 1.00 30.11 H new ATOM 0 HD11 LEU A 5 -2.778 -7.847 -11.044 1.00 3.12 H new ATOM 0 HD12 LEU A 5 -3.638 -6.310 -11.299 1.00 3.12 H new ATOM 0 HD13 LEU A 5 -2.066 -6.590 -12.084 1.00 3.12 H new ATOM 0 HD21 LEU A 5 -0.752 -7.926 -9.638 1.00 60.14 H new ATOM 0 HD22 LEU A 5 0.039 -6.672 -10.622 1.00 60.14 H new ATOM 0 HD23 LEU A 5 -0.134 -6.446 -8.865 1.00 60.14 H new ATOM 83 N GLU A 6 -2.802 -3.292 -12.757 1.00 42.21 N ATOM 84 CA GLU A 6 -3.563 -2.234 -13.411 1.00 43.22 C ATOM 85 C GLU A 6 -4.953 -2.104 -12.796 1.00 53.04 C ATOM 86 O GLU A 6 -5.698 -3.081 -12.708 1.00 40.33 O ATOM 87 CB GLU A 6 -3.680 -2.512 -14.911 1.00 72.32 C ATOM 88 CG GLU A 6 -3.823 -3.987 -15.247 1.00 32.30 C ATOM 89 CD GLU A 6 -3.923 -4.239 -16.739 1.00 14.20 C ATOM 90 OE1 GLU A 6 -3.236 -3.535 -17.507 1.00 42.25 O ATOM 91 OE2 GLU A 6 -4.690 -5.141 -17.138 1.00 1.33 O ATOM 0 H GLU A 6 -3.177 -4.230 -12.897 1.00 42.21 H new ATOM 0 HA GLU A 6 -3.031 -1.294 -13.264 1.00 43.22 H new ATOM 0 HB2 GLU A 6 -4.541 -1.973 -15.306 1.00 72.32 H new ATOM 0 HB3 GLU A 6 -2.798 -2.117 -15.415 1.00 72.32 H new ATOM 0 HG2 GLU A 6 -2.968 -4.531 -14.847 1.00 32.30 H new ATOM 0 HG3 GLU A 6 -4.711 -4.383 -14.755 1.00 32.30 H new ATOM 98 N ILE A 7 -5.295 -0.892 -12.373 1.00 35.13 N ATOM 99 CA ILE A 7 -6.596 -0.634 -11.767 1.00 21.12 C ATOM 100 C ILE A 7 -7.137 0.729 -12.185 1.00 63.23 C ATOM 101 O ILE A 7 -6.376 1.677 -12.380 1.00 73.52 O ATOM 102 CB ILE A 7 -6.523 -0.695 -10.230 1.00 2.14 C ATOM 103 CG1 ILE A 7 -5.232 -0.041 -9.732 1.00 62.44 C ATOM 104 CG2 ILE A 7 -6.611 -2.137 -9.752 1.00 12.42 C ATOM 105 CD1 ILE A 7 -4.068 -1.002 -9.633 1.00 22.25 C ATOM 0 H ILE A 7 -4.690 -0.073 -12.438 1.00 35.13 H new ATOM 0 HA ILE A 7 -7.269 -1.414 -12.122 1.00 21.12 H new ATOM 0 HB ILE A 7 -7.369 -0.144 -9.819 1.00 2.14 H new ATOM 0 HG12 ILE A 7 -4.964 0.774 -10.405 1.00 62.44 H new ATOM 0 HG13 ILE A 7 -5.412 0.401 -8.752 1.00 62.44 H new ATOM 0 HG21 ILE A 7 -6.558 -2.163 -8.664 1.00 12.42 H new ATOM 0 HG22 ILE A 7 -7.555 -2.572 -10.080 1.00 12.42 H new ATOM 0 HG23 ILE A 7 -5.783 -2.710 -10.170 1.00 12.42 H new ATOM 0 HD11 ILE A 7 -3.187 -0.470 -9.274 1.00 22.25 H new ATOM 0 HD12 ILE A 7 -4.316 -1.804 -8.938 1.00 22.25 H new ATOM 0 HD13 ILE A 7 -3.861 -1.425 -10.616 1.00 22.25 H new ATOM 117 N ALA A 8 -8.456 0.820 -12.320 1.00 63.00 N ATOM 118 CA ALA A 8 -9.099 2.068 -12.711 1.00 72.14 C ATOM 119 C ALA A 8 -10.032 2.572 -11.615 1.00 43.13 C ATOM 120 O ALA A 8 -10.670 1.783 -10.918 1.00 4.34 O ATOM 121 CB ALA A 8 -9.864 1.882 -14.013 1.00 72.44 C ATOM 0 H ALA A 8 -9.100 0.044 -12.164 1.00 63.00 H new ATOM 0 HA ALA A 8 -8.321 2.817 -12.863 1.00 72.14 H new ATOM 0 HB1 ALA A 8 -10.339 2.822 -14.293 1.00 72.44 H new ATOM 0 HB2 ALA A 8 -9.174 1.575 -14.800 1.00 72.44 H new ATOM 0 HB3 ALA A 8 -10.627 1.115 -13.880 1.00 72.44 H new ATOM 127 N PHE A 9 -10.106 3.891 -11.468 1.00 61.32 N ATOM 128 CA PHE A 9 -10.960 4.500 -10.455 1.00 44.21 C ATOM 129 C PHE A 9 -11.905 5.520 -11.083 1.00 13.03 C ATOM 130 O PHE A 9 -11.505 6.307 -11.940 1.00 21.02 O ATOM 131 CB PHE A 9 -10.107 5.174 -9.378 1.00 33.34 C ATOM 132 CG PHE A 9 -10.905 6.008 -8.417 1.00 12.22 C ATOM 133 CD1 PHE A 9 -11.939 5.447 -7.685 1.00 10.05 C ATOM 134 CD2 PHE A 9 -10.621 7.353 -8.246 1.00 11.45 C ATOM 135 CE1 PHE A 9 -12.675 6.213 -6.800 1.00 72.15 C ATOM 136 CE2 PHE A 9 -11.354 8.124 -7.362 1.00 43.25 C ATOM 137 CZ PHE A 9 -12.381 7.553 -6.638 1.00 75.23 C ATOM 0 H PHE A 9 -9.585 4.558 -12.037 1.00 61.32 H new ATOM 0 HA PHE A 9 -11.557 3.712 -9.996 1.00 44.21 H new ATOM 0 HB2 PHE A 9 -9.568 4.408 -8.821 1.00 33.34 H new ATOM 0 HB3 PHE A 9 -9.359 5.804 -9.859 1.00 33.34 H new ATOM 0 HD1 PHE A 9 -12.173 4.400 -7.807 1.00 10.05 H new ATOM 0 HD2 PHE A 9 -9.818 7.805 -8.809 1.00 11.45 H new ATOM 0 HE1 PHE A 9 -13.479 5.764 -6.236 1.00 72.15 H new ATOM 0 HE2 PHE A 9 -11.123 9.172 -7.238 1.00 43.25 H new ATOM 0 HZ PHE A 9 -12.954 8.153 -5.946 1.00 75.23 H new ATOM 147 N GLN A 10 -13.162 5.498 -10.649 1.00 45.30 N ATOM 148 CA GLN A 10 -14.165 6.420 -11.169 1.00 63.11 C ATOM 149 C GLN A 10 -14.453 7.533 -10.167 1.00 45.24 C ATOM 150 O GLN A 10 -14.348 7.336 -8.956 1.00 43.32 O ATOM 151 CB GLN A 10 -15.456 5.669 -11.499 1.00 65.54 C ATOM 152 CG GLN A 10 -16.625 6.583 -11.828 1.00 64.11 C ATOM 153 CD GLN A 10 -17.918 5.822 -12.042 1.00 14.23 C ATOM 154 OE1 GLN A 10 -18.618 6.031 -13.033 1.00 14.11 O ATOM 155 NE2 GLN A 10 -18.243 4.933 -11.111 1.00 13.05 N ATOM 0 H GLN A 10 -13.509 4.853 -9.940 1.00 45.30 H new ATOM 0 HA GLN A 10 -13.771 6.869 -12.080 1.00 63.11 H new ATOM 0 HB2 GLN A 10 -15.275 5.006 -12.345 1.00 65.54 H new ATOM 0 HB3 GLN A 10 -15.726 5.038 -10.652 1.00 65.54 H new ATOM 0 HG2 GLN A 10 -16.760 7.300 -11.018 1.00 64.11 H new ATOM 0 HG3 GLN A 10 -16.392 7.156 -12.726 1.00 64.11 H new ATOM 0 HE21 GLN A 10 -17.633 4.792 -10.306 1.00 13.05 H new ATOM 0 HE22 GLN A 10 -19.102 4.391 -11.201 1.00 13.05 H new ATOM 164 N THR A 11 -14.816 8.705 -10.680 1.00 62.21 N ATOM 165 CA THR A 11 -15.117 9.850 -9.831 1.00 52.30 C ATOM 166 C THR A 11 -16.111 10.789 -10.506 1.00 62.21 C ATOM 167 O THR A 11 -16.083 10.965 -11.725 1.00 31.24 O ATOM 168 CB THR A 11 -13.842 10.639 -9.478 1.00 31.11 C ATOM 169 OG1 THR A 11 -14.160 12.021 -9.279 1.00 20.20 O ATOM 170 CG2 THR A 11 -12.801 10.506 -10.579 1.00 53.25 C ATOM 0 H THR A 11 -14.908 8.885 -11.680 1.00 62.21 H new ATOM 0 HA THR A 11 -15.557 9.456 -8.915 1.00 52.30 H new ATOM 0 HB THR A 11 -13.429 10.226 -8.558 1.00 31.11 H new ATOM 0 HG1 THR A 11 -13.344 12.515 -9.053 1.00 20.20 H new ATOM 0 HG21 THR A 11 -11.910 11.072 -10.307 1.00 53.25 H new ATOM 0 HG22 THR A 11 -12.539 9.456 -10.707 1.00 53.25 H new ATOM 0 HG23 THR A 11 -13.207 10.895 -11.513 1.00 53.25 H new ATOM 178 N ILE A 12 -16.987 11.389 -9.708 1.00 3.34 N ATOM 179 CA ILE A 12 -17.988 12.311 -10.229 1.00 41.50 C ATOM 180 C ILE A 12 -18.181 13.500 -9.293 1.00 61.12 C ATOM 181 O ILE A 12 -17.831 14.630 -9.629 1.00 2.42 O ATOM 182 CB ILE A 12 -19.344 11.611 -10.438 1.00 4.40 C ATOM 183 CG1 ILE A 12 -19.137 10.223 -11.046 1.00 22.41 C ATOM 184 CG2 ILE A 12 -20.244 12.456 -11.327 1.00 34.12 C ATOM 185 CD1 ILE A 12 -18.989 9.127 -10.013 1.00 70.05 C ATOM 0 H ILE A 12 -17.024 11.253 -8.698 1.00 3.34 H new ATOM 0 HA ILE A 12 -17.619 12.666 -11.192 1.00 41.50 H new ATOM 0 HB ILE A 12 -19.830 11.494 -9.469 1.00 4.40 H new ATOM 0 HG12 ILE A 12 -19.982 9.989 -11.694 1.00 22.41 H new ATOM 0 HG13 ILE A 12 -18.248 10.240 -11.676 1.00 22.41 H new ATOM 0 HG21 ILE A 12 -21.199 11.948 -11.466 1.00 34.12 H new ATOM 0 HG22 ILE A 12 -20.413 13.425 -10.857 1.00 34.12 H new ATOM 0 HG23 ILE A 12 -19.766 12.601 -12.296 1.00 34.12 H new ATOM 0 HD11 ILE A 12 -18.846 8.170 -10.515 1.00 70.05 H new ATOM 0 HD12 ILE A 12 -18.127 9.337 -9.380 1.00 70.05 H new ATOM 0 HD13 ILE A 12 -19.888 9.083 -9.398 1.00 70.05 H new ATOM 237 N ASP A 16 -15.073 13.517 -4.753 1.00 0.23 N ATOM 238 CA ASP A 16 -14.211 12.493 -5.332 1.00 13.11 C ATOM 239 C ASP A 16 -12.889 13.095 -5.796 1.00 64.31 C ATOM 240 O ASP A 16 -11.845 12.446 -5.733 1.00 72.42 O ATOM 241 CB ASP A 16 -14.914 11.809 -6.505 1.00 73.24 C ATOM 242 CG ASP A 16 -16.183 11.095 -6.083 1.00 73.24 C ATOM 243 OD1 ASP A 16 -16.174 10.453 -5.012 1.00 54.14 O ATOM 244 OD2 ASP A 16 -17.185 11.177 -6.825 1.00 33.04 O ATOM 0 HA ASP A 16 -14.001 11.751 -4.562 1.00 13.11 H new ATOM 0 HB2 ASP A 16 -15.155 12.553 -7.264 1.00 73.24 H new ATOM 0 HB3 ASP A 16 -14.233 11.093 -6.965 1.00 73.24 H new ATOM 249 N GLU A 17 -12.941 14.338 -6.263 1.00 12.42 N ATOM 250 CA GLU A 17 -11.747 15.026 -6.739 1.00 62.13 C ATOM 251 C GLU A 17 -10.624 14.944 -5.709 1.00 32.21 C ATOM 252 O GLU A 17 -9.476 14.656 -6.047 1.00 73.14 O ATOM 253 CB GLU A 17 -12.064 16.491 -7.049 1.00 22.53 C ATOM 254 CG GLU A 17 -11.695 16.908 -8.462 1.00 62.55 C ATOM 255 CD GLU A 17 -12.142 18.319 -8.790 1.00 2.12 C ATOM 256 OE1 GLU A 17 -12.103 19.179 -7.885 1.00 53.03 O ATOM 257 OE2 GLU A 17 -12.530 18.563 -9.952 1.00 0.35 O ATOM 0 H GLU A 17 -13.797 14.889 -6.322 1.00 12.42 H new ATOM 0 HA GLU A 17 -11.415 14.533 -7.653 1.00 62.13 H new ATOM 0 HB2 GLU A 17 -13.129 16.664 -6.895 1.00 22.53 H new ATOM 0 HB3 GLU A 17 -11.532 17.127 -6.341 1.00 22.53 H new ATOM 0 HG2 GLU A 17 -10.615 16.835 -8.588 1.00 62.55 H new ATOM 0 HG3 GLU A 17 -12.146 16.214 -9.171 1.00 62.55 H new ATOM 264 N SER A 18 -10.965 15.200 -4.450 1.00 22.32 N ATOM 265 CA SER A 18 -9.986 15.159 -3.370 1.00 2.32 C ATOM 266 C SER A 18 -9.255 13.820 -3.349 1.00 44.42 C ATOM 267 O SER A 18 -8.047 13.763 -3.115 1.00 64.21 O ATOM 268 CB SER A 18 -10.670 15.400 -2.023 1.00 54.31 C ATOM 269 OG SER A 18 -9.773 15.181 -0.948 1.00 72.24 O ATOM 0 H SER A 18 -11.911 15.438 -4.153 1.00 22.32 H new ATOM 0 HA SER A 18 -9.256 15.949 -3.545 1.00 2.32 H new ATOM 0 HB2 SER A 18 -11.049 16.421 -1.982 1.00 54.31 H new ATOM 0 HB3 SER A 18 -11.529 14.737 -1.924 1.00 54.31 H new ATOM 0 HG SER A 18 -10.180 15.494 -0.113 1.00 72.24 H new ATOM 275 N LEU A 19 -9.995 12.745 -3.595 1.00 52.55 N ATOM 276 CA LEU A 19 -9.419 11.405 -3.606 1.00 1.33 C ATOM 277 C LEU A 19 -8.515 11.210 -4.819 1.00 13.30 C ATOM 278 O LEU A 19 -7.459 10.586 -4.725 1.00 65.13 O ATOM 279 CB LEU A 19 -10.528 10.352 -3.607 1.00 31.11 C ATOM 280 CG LEU A 19 -10.217 9.049 -2.869 1.00 52.03 C ATOM 281 CD1 LEU A 19 -11.156 7.942 -3.323 1.00 22.21 C ATOM 282 CD2 LEU A 19 -8.767 8.645 -3.089 1.00 62.44 C ATOM 0 H LEU A 19 -10.996 12.775 -3.790 1.00 52.55 H new ATOM 0 HA LEU A 19 -8.816 11.288 -2.705 1.00 1.33 H new ATOM 0 HB2 LEU A 19 -11.421 10.793 -3.164 1.00 31.11 H new ATOM 0 HB3 LEU A 19 -10.772 10.111 -4.642 1.00 31.11 H new ATOM 0 HG LEU A 19 -10.370 9.212 -1.802 1.00 52.03 H new ATOM 0 HD11 LEU A 19 -10.920 7.022 -2.787 1.00 22.21 H new ATOM 0 HD12 LEU A 19 -12.186 8.230 -3.113 1.00 22.21 H new ATOM 0 HD13 LEU A 19 -11.036 7.779 -4.394 1.00 22.21 H new ATOM 0 HD21 LEU A 19 -8.563 7.716 -2.557 1.00 62.44 H new ATOM 0 HD22 LEU A 19 -8.587 8.500 -4.154 1.00 62.44 H new ATOM 0 HD23 LEU A 19 -8.110 9.430 -2.714 1.00 62.44 H new ATOM 294 N VAL A 20 -8.937 11.751 -5.958 1.00 34.23 N ATOM 295 CA VAL A 20 -8.165 11.639 -7.189 1.00 40.33 C ATOM 296 C VAL A 20 -6.790 12.280 -7.036 1.00 31.14 C ATOM 297 O VAL A 20 -5.768 11.650 -7.305 1.00 20.30 O ATOM 298 CB VAL A 20 -8.897 12.299 -8.373 1.00 13.32 C ATOM 299 CG1 VAL A 20 -8.076 12.172 -9.647 1.00 10.52 C ATOM 300 CG2 VAL A 20 -10.277 11.685 -8.555 1.00 21.24 C ATOM 0 H VAL A 20 -9.809 12.271 -6.053 1.00 34.23 H new ATOM 0 HA VAL A 20 -8.046 10.575 -7.392 1.00 40.33 H new ATOM 0 HB VAL A 20 -9.022 13.360 -8.154 1.00 13.32 H new ATOM 0 HG11 VAL A 20 -8.609 12.644 -10.472 1.00 10.52 H new ATOM 0 HG12 VAL A 20 -7.113 12.663 -9.509 1.00 10.52 H new ATOM 0 HG13 VAL A 20 -7.917 11.118 -9.874 1.00 10.52 H new ATOM 0 HG21 VAL A 20 -10.780 12.163 -9.396 1.00 21.24 H new ATOM 0 HG22 VAL A 20 -10.177 10.617 -8.751 1.00 21.24 H new ATOM 0 HG23 VAL A 20 -10.864 11.834 -7.649 1.00 21.24 H new ATOM 310 N GLN A 21 -6.774 13.536 -6.600 1.00 63.44 N ATOM 311 CA GLN A 21 -5.524 14.262 -6.411 1.00 25.30 C ATOM 312 C GLN A 21 -4.713 13.660 -5.268 1.00 3.43 C ATOM 313 O GLN A 21 -3.495 13.516 -5.367 1.00 4.45 O ATOM 314 CB GLN A 21 -5.805 15.739 -6.131 1.00 24.02 C ATOM 315 CG GLN A 21 -6.331 16.498 -7.338 1.00 61.24 C ATOM 316 CD GLN A 21 -5.351 16.506 -8.495 1.00 1.00 C ATOM 317 OE1 GLN A 21 -5.721 16.241 -9.639 1.00 40.12 O ATOM 318 NE2 GLN A 21 -4.092 16.811 -8.203 1.00 11.34 N ATOM 0 H GLN A 21 -7.612 14.071 -6.371 1.00 63.44 H new ATOM 0 HA GLN A 21 -4.942 14.178 -7.329 1.00 25.30 H new ATOM 0 HB2 GLN A 21 -6.530 15.815 -5.320 1.00 24.02 H new ATOM 0 HB3 GLN A 21 -4.888 16.215 -5.784 1.00 24.02 H new ATOM 0 HG2 GLN A 21 -7.269 16.049 -7.664 1.00 61.24 H new ATOM 0 HG3 GLN A 21 -6.553 17.525 -7.048 1.00 61.24 H new ATOM 0 HE21 GLN A 21 -3.829 17.024 -7.241 1.00 11.34 H new ATOM 0 HE22 GLN A 21 -3.388 16.832 -8.941 1.00 11.34 H new ATOM 327 N ALA A 22 -5.397 13.312 -4.183 1.00 61.31 N ATOM 328 CA ALA A 22 -4.740 12.725 -3.022 1.00 34.53 C ATOM 329 C ALA A 22 -4.088 11.392 -3.375 1.00 13.11 C ATOM 330 O ALA A 22 -2.902 11.183 -3.119 1.00 63.24 O ATOM 331 CB ALA A 22 -5.738 12.542 -1.888 1.00 31.14 C ATOM 0 H ALA A 22 -6.406 13.426 -4.084 1.00 61.31 H new ATOM 0 HA ALA A 22 -3.956 13.408 -2.695 1.00 34.53 H new ATOM 0 HB1 ALA A 22 -5.234 12.103 -1.027 1.00 31.14 H new ATOM 0 HB2 ALA A 22 -6.154 13.510 -1.610 1.00 31.14 H new ATOM 0 HB3 ALA A 22 -6.542 11.882 -2.214 1.00 31.14 H new ATOM 337 N LEU A 23 -4.871 10.494 -3.963 1.00 25.53 N ATOM 338 CA LEU A 23 -4.369 9.180 -4.351 1.00 30.33 C ATOM 339 C LEU A 23 -3.264 9.305 -5.395 1.00 10.23 C ATOM 340 O LEU A 23 -2.323 8.513 -5.415 1.00 61.40 O ATOM 341 CB LEU A 23 -5.508 8.319 -4.898 1.00 74.55 C ATOM 342 CG LEU A 23 -5.789 8.450 -6.396 1.00 12.12 C ATOM 343 CD1 LEU A 23 -4.898 7.508 -7.191 1.00 13.13 C ATOM 344 CD2 LEU A 23 -7.257 8.174 -6.690 1.00 4.24 C ATOM 0 H LEU A 23 -5.855 10.651 -4.181 1.00 25.53 H new ATOM 0 HA LEU A 23 -3.953 8.701 -3.465 1.00 30.33 H new ATOM 0 HB2 LEU A 23 -5.284 7.275 -4.681 1.00 74.55 H new ATOM 0 HB3 LEU A 23 -6.419 8.569 -4.355 1.00 74.55 H new ATOM 0 HG LEU A 23 -5.564 9.472 -6.700 1.00 12.12 H new ATOM 0 HD11 LEU A 23 -5.112 7.615 -8.254 1.00 13.13 H new ATOM 0 HD12 LEU A 23 -3.852 7.753 -7.005 1.00 13.13 H new ATOM 0 HD13 LEU A 23 -5.090 6.480 -6.884 1.00 13.13 H new ATOM 0 HD21 LEU A 23 -7.438 8.272 -7.760 1.00 4.24 H new ATOM 0 HD22 LEU A 23 -7.508 7.163 -6.370 1.00 4.24 H new ATOM 0 HD23 LEU A 23 -7.877 8.890 -6.150 1.00 4.24 H new ATOM 356 N ALA A 24 -3.385 10.308 -6.259 1.00 24.32 N ATOM 357 CA ALA A 24 -2.394 10.540 -7.303 1.00 30.33 C ATOM 358 C ALA A 24 -1.048 10.935 -6.704 1.00 54.34 C ATOM 359 O ALA A 24 -0.002 10.442 -7.124 1.00 53.31 O ATOM 360 CB ALA A 24 -2.882 11.613 -8.264 1.00 73.14 C ATOM 0 H ALA A 24 -4.159 10.972 -6.257 1.00 24.32 H new ATOM 0 HA ALA A 24 -2.258 9.609 -7.854 1.00 30.33 H new ATOM 0 HB1 ALA A 24 -2.132 11.776 -9.038 1.00 73.14 H new ATOM 0 HB2 ALA A 24 -3.816 11.291 -8.725 1.00 73.14 H new ATOM 0 HB3 ALA A 24 -3.048 12.542 -7.718 1.00 73.14 H new ATOM 366 N GLY A 25 -1.083 11.830 -5.721 1.00 61.30 N ATOM 367 CA GLY A 25 0.141 12.277 -5.082 1.00 32.12 C ATOM 368 C GLY A 25 0.763 11.206 -4.208 1.00 2.21 C ATOM 369 O GLY A 25 1.986 11.118 -4.097 1.00 41.03 O ATOM 0 H GLY A 25 -1.936 12.253 -5.356 1.00 61.30 H new ATOM 0 HA2 GLY A 25 0.857 12.579 -5.846 1.00 32.12 H new ATOM 0 HA3 GLY A 25 -0.070 13.159 -4.477 1.00 32.12 H new ATOM 373 N VAL A 26 -0.080 10.390 -3.583 1.00 51.22 N ATOM 374 CA VAL A 26 0.394 9.320 -2.714 1.00 2.22 C ATOM 375 C VAL A 26 1.112 8.239 -3.514 1.00 54.02 C ATOM 376 O VAL A 26 2.234 7.851 -3.189 1.00 5.40 O ATOM 377 CB VAL A 26 -0.766 8.678 -1.930 1.00 2.44 C ATOM 378 CG1 VAL A 26 -0.260 7.526 -1.075 1.00 41.12 C ATOM 379 CG2 VAL A 26 -1.469 9.720 -1.072 1.00 73.35 C ATOM 0 H VAL A 26 -1.095 10.450 -3.663 1.00 51.22 H new ATOM 0 HA VAL A 26 1.093 9.771 -2.010 1.00 2.22 H new ATOM 0 HB VAL A 26 -1.488 8.280 -2.643 1.00 2.44 H new ATOM 0 HG11 VAL A 26 -1.094 7.085 -0.529 1.00 41.12 H new ATOM 0 HG12 VAL A 26 0.195 6.770 -1.715 1.00 41.12 H new ATOM 0 HG13 VAL A 26 0.482 7.896 -0.368 1.00 41.12 H new ATOM 0 HG21 VAL A 26 -2.286 9.250 -0.525 1.00 73.35 H new ATOM 0 HG22 VAL A 26 -0.758 10.149 -0.365 1.00 73.35 H new ATOM 0 HG23 VAL A 26 -1.867 10.509 -1.710 1.00 73.35 H new ATOM 389 N THR A 27 0.456 7.755 -4.564 1.00 61.45 N ATOM 390 CA THR A 27 1.030 6.717 -5.412 1.00 4.30 C ATOM 391 C THR A 27 2.290 7.214 -6.112 1.00 52.44 C ATOM 392 O THR A 27 3.296 6.509 -6.174 1.00 43.04 O ATOM 393 CB THR A 27 0.022 6.237 -6.473 1.00 23.31 C ATOM 394 OG1 THR A 27 0.629 5.247 -7.312 1.00 15.30 O ATOM 395 CG2 THR A 27 -0.465 7.400 -7.323 1.00 3.50 C ATOM 0 H THR A 27 -0.473 8.065 -4.848 1.00 61.45 H new ATOM 0 HA THR A 27 1.285 5.881 -4.760 1.00 4.30 H new ATOM 0 HB THR A 27 -0.834 5.801 -5.958 1.00 23.31 H new ATOM 0 HG1 THR A 27 1.221 4.681 -6.774 1.00 15.30 H new ATOM 0 HG21 THR A 27 -1.176 7.036 -8.065 1.00 3.50 H new ATOM 0 HG22 THR A 27 -0.952 8.138 -6.685 1.00 3.50 H new ATOM 0 HG23 THR A 27 0.383 7.861 -7.829 1.00 3.50 H new ATOM 403 N ALA A 28 2.227 8.433 -6.638 1.00 51.32 N ATOM 404 CA ALA A 28 3.364 9.026 -7.332 1.00 32.41 C ATOM 405 C ALA A 28 4.528 9.263 -6.376 1.00 33.34 C ATOM 406 O ALA A 28 5.690 9.086 -6.741 1.00 52.43 O ATOM 407 CB ALA A 28 2.953 10.329 -8.000 1.00 44.43 C ATOM 0 H ALA A 28 1.400 9.029 -6.597 1.00 51.32 H new ATOM 0 HA ALA A 28 3.695 8.326 -8.099 1.00 32.41 H new ATOM 0 HB1 ALA A 28 3.812 10.761 -8.514 1.00 44.43 H new ATOM 0 HB2 ALA A 28 2.159 10.134 -8.721 1.00 44.43 H new ATOM 0 HB3 ALA A 28 2.594 11.028 -7.244 1.00 44.43 H new ATOM 413 N SER A 29 4.208 9.664 -5.149 1.00 72.05 N ATOM 414 CA SER A 29 5.228 9.930 -4.142 1.00 33.23 C ATOM 415 C SER A 29 5.799 8.627 -3.590 1.00 60.03 C ATOM 416 O SER A 29 6.982 8.546 -3.258 1.00 52.33 O ATOM 417 CB SER A 29 4.643 10.766 -3.002 1.00 50.30 C ATOM 418 OG SER A 29 5.488 10.740 -1.865 1.00 33.34 O ATOM 0 H SER A 29 3.251 9.812 -4.829 1.00 72.05 H new ATOM 0 HA SER A 29 6.035 10.489 -4.616 1.00 33.23 H new ATOM 0 HB2 SER A 29 4.507 11.795 -3.334 1.00 50.30 H new ATOM 0 HB3 SER A 29 3.658 10.384 -2.735 1.00 50.30 H new ATOM 0 HG SER A 29 5.093 11.282 -1.151 1.00 33.34 H new ATOM 424 N ASP A 30 4.950 7.610 -3.496 1.00 21.44 N ATOM 425 CA ASP A 30 5.369 6.309 -2.985 1.00 41.25 C ATOM 426 C ASP A 30 6.089 5.508 -4.066 1.00 1.03 C ATOM 427 O ASP A 30 6.796 4.544 -3.771 1.00 4.41 O ATOM 428 CB ASP A 30 4.160 5.525 -2.472 1.00 42.42 C ATOM 429 CG ASP A 30 4.545 4.465 -1.460 1.00 24.24 C ATOM 430 OD1 ASP A 30 4.750 4.818 -0.280 1.00 3.23 O ATOM 431 OD2 ASP A 30 4.643 3.281 -1.847 1.00 53.42 O ATOM 0 H ASP A 30 3.968 7.661 -3.767 1.00 21.44 H new ATOM 0 HA ASP A 30 6.061 6.476 -2.159 1.00 41.25 H new ATOM 0 HB2 ASP A 30 3.449 6.215 -2.018 1.00 42.42 H new ATOM 0 HB3 ASP A 30 3.653 5.053 -3.314 1.00 42.42 H new ATOM 436 N PHE A 31 5.903 5.912 -5.318 1.00 2.41 N ATOM 437 CA PHE A 31 6.533 5.231 -6.443 1.00 2.02 C ATOM 438 C PHE A 31 7.582 6.123 -7.101 1.00 11.02 C ATOM 439 O PHE A 31 7.376 6.670 -8.184 1.00 44.34 O ATOM 440 CB PHE A 31 5.479 4.819 -7.472 1.00 51.24 C ATOM 441 CG PHE A 31 4.631 3.661 -7.031 1.00 71.44 C ATOM 442 CD1 PHE A 31 5.210 2.540 -6.458 1.00 32.00 C ATOM 443 CD2 PHE A 31 3.255 3.692 -7.190 1.00 12.42 C ATOM 444 CE1 PHE A 31 4.432 1.472 -6.052 1.00 53.32 C ATOM 445 CE2 PHE A 31 2.471 2.628 -6.785 1.00 65.34 C ATOM 446 CZ PHE A 31 3.061 1.517 -6.215 1.00 32.31 C ATOM 0 H PHE A 31 5.321 6.708 -5.579 1.00 2.41 H new ATOM 0 HA PHE A 31 7.029 4.337 -6.063 1.00 2.02 H new ATOM 0 HB2 PHE A 31 4.834 5.672 -7.681 1.00 51.24 H new ATOM 0 HB3 PHE A 31 5.977 4.559 -8.406 1.00 51.24 H new ATOM 0 HD1 PHE A 31 6.281 2.500 -6.327 1.00 32.00 H new ATOM 0 HD2 PHE A 31 2.789 4.558 -7.636 1.00 12.42 H new ATOM 0 HE1 PHE A 31 4.895 0.603 -5.608 1.00 53.32 H new ATOM 0 HE2 PHE A 31 1.399 2.665 -6.914 1.00 65.34 H new ATOM 0 HZ PHE A 31 2.451 0.684 -5.897 1.00 32.31 H new ATOM 501 N ASP A 35 7.928 4.168 -12.316 1.00 63.21 N ATOM 502 CA ASP A 35 7.374 3.060 -13.085 1.00 35.31 C ATOM 503 C ASP A 35 5.849 3.122 -13.106 1.00 4.10 C ATOM 504 O ASP A 35 5.194 2.298 -13.744 1.00 14.00 O ATOM 505 CB ASP A 35 7.834 1.724 -12.499 1.00 74.21 C ATOM 506 CG ASP A 35 9.300 1.449 -12.766 1.00 4.10 C ATOM 507 OD1 ASP A 35 10.076 2.422 -12.871 1.00 62.31 O ATOM 508 OD2 ASP A 35 9.672 0.261 -12.871 1.00 5.33 O ATOM 0 HA ASP A 35 7.738 3.143 -14.109 1.00 35.31 H new ATOM 0 HB2 ASP A 35 7.657 1.722 -11.423 1.00 74.21 H new ATOM 0 HB3 ASP A 35 7.233 0.919 -12.922 1.00 74.21 H new ATOM 513 N ILE A 36 5.293 4.103 -12.404 1.00 11.41 N ATOM 514 CA ILE A 36 3.846 4.273 -12.342 1.00 65.34 C ATOM 515 C ILE A 36 3.300 4.814 -13.659 1.00 71.21 C ATOM 516 O ILE A 36 3.684 5.894 -14.107 1.00 2.53 O ATOM 517 CB ILE A 36 3.439 5.223 -11.201 1.00 51.11 C ATOM 518 CG1 ILE A 36 1.928 5.465 -11.224 1.00 62.42 C ATOM 519 CG2 ILE A 36 4.193 6.540 -11.313 1.00 61.43 C ATOM 520 CD1 ILE A 36 1.427 6.271 -10.047 1.00 2.23 C ATOM 0 H ILE A 36 5.822 4.792 -11.870 1.00 11.41 H new ATOM 0 HA ILE A 36 3.420 3.288 -12.152 1.00 65.34 H new ATOM 0 HB ILE A 36 3.700 4.757 -10.251 1.00 51.11 H new ATOM 0 HG12 ILE A 36 1.665 5.983 -12.147 1.00 62.42 H new ATOM 0 HG13 ILE A 36 1.415 4.504 -11.241 1.00 62.42 H new ATOM 0 HG21 ILE A 36 3.894 7.201 -10.499 1.00 61.43 H new ATOM 0 HG22 ILE A 36 5.265 6.352 -11.253 1.00 61.43 H new ATOM 0 HG23 ILE A 36 3.961 7.012 -12.268 1.00 61.43 H new ATOM 0 HD11 ILE A 36 0.348 6.403 -10.129 1.00 2.23 H new ATOM 0 HD12 ILE A 36 1.658 5.745 -9.121 1.00 2.23 H new ATOM 0 HD13 ILE A 36 1.913 7.247 -10.041 1.00 2.23 H new ATOM 532 N LYS A 37 2.399 4.056 -14.275 1.00 51.13 N ATOM 533 CA LYS A 37 1.795 4.460 -15.540 1.00 24.52 C ATOM 534 C LYS A 37 0.306 4.740 -15.367 1.00 30.31 C ATOM 535 O LYS A 37 -0.536 3.922 -15.739 1.00 15.42 O ATOM 536 CB LYS A 37 2.001 3.372 -16.597 1.00 3.03 C ATOM 537 CG LYS A 37 3.159 3.651 -17.539 1.00 42.32 C ATOM 538 CD LYS A 37 4.499 3.466 -16.847 1.00 10.13 C ATOM 539 CE LYS A 37 5.133 4.803 -16.493 1.00 62.42 C ATOM 540 NZ LYS A 37 6.130 5.230 -17.513 1.00 43.51 N ATOM 0 H LYS A 37 2.071 3.158 -13.919 1.00 51.13 H new ATOM 0 HA LYS A 37 2.283 5.377 -15.871 1.00 24.52 H new ATOM 0 HB2 LYS A 37 2.172 2.419 -16.097 1.00 3.03 H new ATOM 0 HB3 LYS A 37 1.086 3.266 -17.180 1.00 3.03 H new ATOM 0 HG2 LYS A 37 3.098 2.984 -18.399 1.00 42.32 H new ATOM 0 HG3 LYS A 37 3.083 4.670 -17.919 1.00 42.32 H new ATOM 0 HD2 LYS A 37 4.363 2.875 -15.941 1.00 10.13 H new ATOM 0 HD3 LYS A 37 5.171 2.904 -17.496 1.00 10.13 H new ATOM 0 HE2 LYS A 37 4.356 5.562 -16.405 1.00 62.42 H new ATOM 0 HE3 LYS A 37 5.618 4.729 -15.520 1.00 62.42 H new ATOM 0 HZ1 LYS A 37 6.502 6.168 -17.263 1.00 43.51 H new ATOM 0 HZ2 LYS A 37 6.911 4.544 -17.543 1.00 43.51 H new ATOM 0 HZ3 LYS A 37 5.674 5.276 -18.446 1.00 43.51 H new ATOM 554 N TYR A 38 -0.011 5.899 -14.802 1.00 54.33 N ATOM 555 CA TYR A 38 -1.399 6.286 -14.580 1.00 14.54 C ATOM 556 C TYR A 38 -1.718 7.601 -15.286 1.00 34.41 C ATOM 557 O TYR A 38 -0.840 8.233 -15.871 1.00 31.22 O ATOM 558 CB TYR A 38 -1.680 6.418 -13.082 1.00 10.42 C ATOM 559 CG TYR A 38 -1.325 7.775 -12.516 1.00 64.13 C ATOM 560 CD1 TYR A 38 -0.010 8.225 -12.512 1.00 53.22 C ATOM 561 CD2 TYR A 38 -2.304 8.607 -11.987 1.00 23.31 C ATOM 562 CE1 TYR A 38 0.319 9.463 -11.996 1.00 11.42 C ATOM 563 CE2 TYR A 38 -1.984 9.847 -11.470 1.00 1.23 C ATOM 564 CZ TYR A 38 -0.671 10.271 -11.476 1.00 32.20 C ATOM 565 OH TYR A 38 -0.348 11.506 -10.962 1.00 24.50 O ATOM 0 H TYR A 38 0.674 6.587 -14.489 1.00 54.33 H new ATOM 0 HA TYR A 38 -2.038 5.507 -14.996 1.00 14.54 H new ATOM 0 HB2 TYR A 38 -2.737 6.223 -12.901 1.00 10.42 H new ATOM 0 HB3 TYR A 38 -1.119 5.652 -12.547 1.00 10.42 H new ATOM 0 HD1 TYR A 38 0.768 7.596 -12.919 1.00 53.22 H new ATOM 0 HD2 TYR A 38 -3.333 8.278 -11.980 1.00 23.31 H new ATOM 0 HE1 TYR A 38 1.346 9.797 -12.000 1.00 11.42 H new ATOM 0 HE2 TYR A 38 -2.757 10.482 -11.063 1.00 1.23 H new ATOM 0 HH TYR A 38 -1.104 12.118 -11.081 1.00 24.50 H new ATOM 575 N ASN A 39 -2.983 8.005 -15.226 1.00 0.34 N ATOM 576 CA ASN A 39 -3.420 9.244 -15.859 1.00 0.31 C ATOM 577 C ASN A 39 -4.860 9.572 -15.477 1.00 74.43 C ATOM 578 O ASN A 39 -5.618 8.694 -15.062 1.00 3.01 O ATOM 579 CB ASN A 39 -3.296 9.135 -17.380 1.00 3.40 C ATOM 580 CG ASN A 39 -3.366 7.700 -17.864 1.00 44.05 C ATOM 581 OD1 ASN A 39 -2.340 7.040 -18.034 1.00 35.45 O ATOM 582 ND2 ASN A 39 -4.579 7.211 -18.091 1.00 32.44 N ATOM 0 H ASN A 39 -3.723 7.493 -14.746 1.00 0.34 H new ATOM 0 HA ASN A 39 -2.777 10.050 -15.505 1.00 0.31 H new ATOM 0 HB2 ASN A 39 -4.092 9.713 -17.849 1.00 3.40 H new ATOM 0 HB3 ASN A 39 -2.352 9.577 -17.697 1.00 3.40 H new ATOM 0 HD21 ASN A 39 -4.689 6.252 -18.420 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -5.401 7.794 -17.936 1.00 32.44 H new ATOM 589 N ILE A 40 -5.231 10.839 -15.622 1.00 14.32 N ATOM 590 CA ILE A 40 -6.581 11.282 -15.294 1.00 60.21 C ATOM 591 C ILE A 40 -7.228 11.995 -16.476 1.00 41.14 C ATOM 592 O ILE A 40 -6.748 13.036 -16.926 1.00 65.20 O ATOM 593 CB ILE A 40 -6.584 12.224 -14.076 1.00 51.41 C ATOM 594 CG1 ILE A 40 -5.164 12.398 -13.534 1.00 62.31 C ATOM 595 CG2 ILE A 40 -7.508 11.688 -12.993 1.00 72.53 C ATOM 596 CD1 ILE A 40 -5.096 13.226 -12.270 1.00 72.30 C ATOM 0 H ILE A 40 -4.616 11.577 -15.964 1.00 14.32 H new ATOM 0 HA ILE A 40 -7.156 10.388 -15.053 1.00 60.21 H new ATOM 0 HB ILE A 40 -6.954 13.199 -14.392 1.00 51.41 H new ATOM 0 HG12 ILE A 40 -4.736 11.415 -13.338 1.00 62.31 H new ATOM 0 HG13 ILE A 40 -4.547 12.868 -14.300 1.00 62.31 H new ATOM 0 HG21 ILE A 40 -7.499 12.365 -12.139 1.00 72.53 H new ATOM 0 HG22 ILE A 40 -8.522 11.612 -13.385 1.00 72.53 H new ATOM 0 HG23 ILE A 40 -7.166 10.702 -12.678 1.00 72.53 H new ATOM 0 HD11 ILE A 40 -4.059 13.307 -11.944 1.00 72.30 H new ATOM 0 HD12 ILE A 40 -5.494 14.222 -12.465 1.00 72.30 H new ATOM 0 HD13 ILE A 40 -5.686 12.747 -11.489 1.00 72.30 H new ATOM 608 N PHE A 41 -8.322 11.429 -16.975 1.00 50.31 N ATOM 609 CA PHE A 41 -9.036 12.011 -18.105 1.00 55.43 C ATOM 610 C PHE A 41 -10.523 12.157 -17.792 1.00 42.52 C ATOM 611 O PHE A 41 -11.081 11.392 -17.005 1.00 75.14 O ATOM 612 CB PHE A 41 -8.849 11.147 -19.354 1.00 53.20 C ATOM 613 CG PHE A 41 -8.919 9.672 -19.078 1.00 42.43 C ATOM 614 CD1 PHE A 41 -10.138 9.052 -18.858 1.00 61.03 C ATOM 615 CD2 PHE A 41 -7.765 8.907 -19.039 1.00 23.43 C ATOM 616 CE1 PHE A 41 -10.205 7.695 -18.605 1.00 34.14 C ATOM 617 CE2 PHE A 41 -7.826 7.549 -18.786 1.00 50.20 C ATOM 618 CZ PHE A 41 -9.048 6.943 -18.568 1.00 23.25 C ATOM 0 H PHE A 41 -8.733 10.568 -16.615 1.00 50.31 H new ATOM 0 HA PHE A 41 -8.623 13.002 -18.292 1.00 55.43 H new ATOM 0 HB2 PHE A 41 -9.614 11.409 -20.085 1.00 53.20 H new ATOM 0 HB3 PHE A 41 -7.884 11.379 -19.805 1.00 53.20 H new ATOM 0 HD1 PHE A 41 -11.046 9.636 -18.884 1.00 61.03 H new ATOM 0 HD2 PHE A 41 -6.807 9.376 -19.208 1.00 23.43 H new ATOM 0 HE1 PHE A 41 -11.162 7.223 -18.436 1.00 34.14 H new ATOM 0 HE2 PHE A 41 -6.919 6.963 -18.759 1.00 50.20 H new ATOM 0 HZ PHE A 41 -9.098 5.883 -18.369 1.00 23.25 H new ATOM 628 N LEU A 42 -11.157 13.146 -18.413 1.00 34.22 N ATOM 629 CA LEU A 42 -12.579 13.394 -18.201 1.00 53.11 C ATOM 630 C LEU A 42 -13.378 13.100 -19.467 1.00 22.00 C ATOM 631 O LEU A 42 -13.002 13.518 -20.562 1.00 43.01 O ATOM 632 CB LEU A 42 -12.805 14.843 -17.767 1.00 41.53 C ATOM 633 CG LEU A 42 -14.070 15.111 -16.951 1.00 21.52 C ATOM 634 CD1 LEU A 42 -13.941 16.413 -16.177 1.00 4.31 C ATOM 635 CD2 LEU A 42 -15.292 15.145 -17.857 1.00 10.32 C ATOM 0 H LEU A 42 -10.709 13.788 -19.067 1.00 34.22 H new ATOM 0 HA LEU A 42 -12.925 12.727 -17.412 1.00 53.11 H new ATOM 0 HB2 LEU A 42 -11.944 15.164 -17.181 1.00 41.53 H new ATOM 0 HB3 LEU A 42 -12.834 15.468 -18.660 1.00 41.53 H new ATOM 0 HG LEU A 42 -14.196 14.299 -16.235 1.00 21.52 H new ATOM 0 HD11 LEU A 42 -14.851 16.586 -15.603 1.00 4.31 H new ATOM 0 HD12 LEU A 42 -13.090 16.350 -15.499 1.00 4.31 H new ATOM 0 HD13 LEU A 42 -13.789 17.237 -16.874 1.00 4.31 H new ATOM 0 HD21 LEU A 42 -16.183 15.337 -17.259 1.00 10.32 H new ATOM 0 HD22 LEU A 42 -15.174 15.937 -18.597 1.00 10.32 H new ATOM 0 HD23 LEU A 42 -15.395 14.186 -18.365 1.00 10.32 H new ATOM 647 N VAL A 43 -14.484 12.379 -19.309 1.00 4.31 N ATOM 648 CA VAL A 43 -15.338 12.032 -20.438 1.00 43.04 C ATOM 649 C VAL A 43 -16.655 12.799 -20.388 1.00 24.53 C ATOM 650 O VAL A 43 -17.239 12.978 -19.319 1.00 53.33 O ATOM 651 CB VAL A 43 -15.637 10.521 -20.472 1.00 44.44 C ATOM 652 CG1 VAL A 43 -14.506 9.739 -19.822 1.00 33.51 C ATOM 653 CG2 VAL A 43 -16.963 10.226 -19.789 1.00 71.30 C ATOM 0 H VAL A 43 -14.809 12.024 -18.410 1.00 4.31 H new ATOM 0 HA VAL A 43 -14.795 12.308 -21.342 1.00 43.04 H new ATOM 0 HB VAL A 43 -15.713 10.205 -21.513 1.00 44.44 H new ATOM 0 HG11 VAL A 43 -14.734 8.674 -19.855 1.00 33.51 H new ATOM 0 HG12 VAL A 43 -13.577 9.928 -20.360 1.00 33.51 H new ATOM 0 HG13 VAL A 43 -14.395 10.054 -18.785 1.00 33.51 H new ATOM 0 HG21 VAL A 43 -17.159 9.154 -19.822 1.00 71.30 H new ATOM 0 HG22 VAL A 43 -16.919 10.555 -18.751 1.00 71.30 H new ATOM 0 HG23 VAL A 43 -17.764 10.757 -20.304 1.00 71.30 H new ATOM 663 N ASP A 44 -17.116 13.248 -21.549 1.00 72.35 N ATOM 664 CA ASP A 44 -18.366 13.994 -21.639 1.00 2.24 C ATOM 665 C ASP A 44 -19.224 13.481 -22.791 1.00 12.24 C ATOM 666 O ASP A 44 -18.944 13.756 -23.958 1.00 52.51 O ATOM 667 CB ASP A 44 -18.082 15.486 -21.823 1.00 23.33 C ATOM 668 CG ASP A 44 -17.153 15.758 -22.990 1.00 11.44 C ATOM 669 OD1 ASP A 44 -15.927 15.590 -22.824 1.00 64.23 O ATOM 670 OD2 ASP A 44 -17.653 16.140 -24.068 1.00 61.35 O ATOM 0 H ASP A 44 -16.643 13.109 -22.442 1.00 72.35 H new ATOM 0 HA ASP A 44 -18.915 13.848 -20.709 1.00 2.24 H new ATOM 0 HB2 ASP A 44 -19.022 16.015 -21.979 1.00 23.33 H new ATOM 0 HB3 ASP A 44 -17.640 15.884 -20.910 1.00 23.33 H new ATOM 675 N LEU A 45 -20.270 12.733 -22.455 1.00 43.41 N ATOM 676 CA LEU A 45 -21.169 12.180 -23.462 1.00 13.45 C ATOM 677 C LEU A 45 -22.581 12.029 -22.905 1.00 75.13 C ATOM 678 O LEU A 45 -22.775 11.927 -21.694 1.00 23.44 O ATOM 679 CB LEU A 45 -20.652 10.825 -23.947 1.00 1.11 C ATOM 680 CG LEU A 45 -20.459 10.682 -25.457 1.00 4.20 C ATOM 681 CD1 LEU A 45 -21.801 10.700 -26.171 1.00 51.42 C ATOM 682 CD2 LEU A 45 -19.556 11.787 -25.986 1.00 41.20 C ATOM 0 H LEU A 45 -20.516 12.496 -21.494 1.00 43.41 H new ATOM 0 HA LEU A 45 -21.202 12.871 -24.304 1.00 13.45 H new ATOM 0 HB2 LEU A 45 -19.698 10.627 -23.459 1.00 1.11 H new ATOM 0 HB3 LEU A 45 -21.347 10.053 -23.615 1.00 1.11 H new ATOM 0 HG LEU A 45 -19.980 9.723 -25.653 1.00 4.20 H new ATOM 0 HD11 LEU A 45 -21.643 10.597 -27.245 1.00 51.42 H new ATOM 0 HD12 LEU A 45 -22.414 9.873 -25.813 1.00 51.42 H new ATOM 0 HD13 LEU A 45 -22.309 11.643 -25.968 1.00 51.42 H new ATOM 0 HD21 LEU A 45 -19.430 11.670 -27.062 1.00 41.20 H new ATOM 0 HD22 LEU A 45 -20.007 12.757 -25.777 1.00 41.20 H new ATOM 0 HD23 LEU A 45 -18.583 11.727 -25.498 1.00 41.20 H new ATOM 694 N TYR A 46 -23.565 12.013 -23.798 1.00 43.23 N ATOM 695 CA TYR A 46 -24.960 11.874 -23.397 1.00 4.11 C ATOM 696 C TYR A 46 -25.393 13.043 -22.517 1.00 45.24 C ATOM 697 O TYR A 46 -26.222 12.888 -21.622 1.00 23.40 O ATOM 698 CB TYR A 46 -25.168 10.555 -22.651 1.00 13.35 C ATOM 699 CG TYR A 46 -24.705 9.342 -23.424 1.00 71.24 C ATOM 700 CD1 TYR A 46 -25.467 8.826 -24.466 1.00 24.42 C ATOM 701 CD2 TYR A 46 -23.507 8.711 -23.114 1.00 20.32 C ATOM 702 CE1 TYR A 46 -25.048 7.717 -25.175 1.00 61.43 C ATOM 703 CE2 TYR A 46 -23.080 7.602 -23.819 1.00 2.32 C ATOM 704 CZ TYR A 46 -23.854 7.109 -24.848 1.00 63.24 C ATOM 705 OH TYR A 46 -23.432 6.004 -25.552 1.00 72.11 O ATOM 0 H TYR A 46 -23.422 12.095 -24.805 1.00 43.23 H new ATOM 0 HA TYR A 46 -25.573 11.875 -24.298 1.00 4.11 H new ATOM 0 HB2 TYR A 46 -24.634 10.596 -21.702 1.00 13.35 H new ATOM 0 HB3 TYR A 46 -26.227 10.443 -22.416 1.00 13.35 H new ATOM 0 HD1 TYR A 46 -26.402 9.300 -24.725 1.00 24.42 H new ATOM 0 HD2 TYR A 46 -22.899 9.094 -22.308 1.00 20.32 H new ATOM 0 HE1 TYR A 46 -25.652 7.328 -25.981 1.00 61.43 H new ATOM 0 HE2 TYR A 46 -22.145 7.124 -23.565 1.00 2.32 H new ATOM 0 HH TYR A 46 -22.572 5.698 -25.196 1.00 72.11 H new ATOM 715 N GLY A 47 -24.824 14.216 -22.781 1.00 71.00 N ATOM 716 CA GLY A 47 -25.163 15.395 -22.006 1.00 50.44 C ATOM 717 C GLY A 47 -24.689 15.302 -20.570 1.00 21.53 C ATOM 718 O GLY A 47 -25.050 16.131 -19.735 1.00 70.05 O ATOM 0 H GLY A 47 -24.135 14.370 -23.517 1.00 71.00 H new ATOM 0 HA2 GLY A 47 -24.720 16.274 -22.475 1.00 50.44 H new ATOM 0 HA3 GLY A 47 -26.244 15.537 -22.020 1.00 50.44 H new ATOM 722 N GLN A 48 -23.879 14.288 -20.280 1.00 73.15 N ATOM 723 CA GLN A 48 -23.358 14.088 -18.934 1.00 24.14 C ATOM 724 C GLN A 48 -21.851 13.854 -18.963 1.00 3.53 C ATOM 725 O GLN A 48 -21.348 13.071 -19.769 1.00 12.22 O ATOM 726 CB GLN A 48 -24.056 12.903 -18.264 1.00 13.41 C ATOM 727 CG GLN A 48 -25.573 12.989 -18.305 1.00 55.41 C ATOM 728 CD GLN A 48 -26.243 11.704 -17.862 1.00 32.33 C ATOM 729 OE1 GLN A 48 -26.457 10.793 -18.663 1.00 14.42 O ATOM 730 NE2 GLN A 48 -26.578 11.622 -16.579 1.00 62.02 N ATOM 0 H GLN A 48 -23.570 13.593 -20.960 1.00 73.15 H new ATOM 0 HA GLN A 48 -23.557 14.991 -18.357 1.00 24.14 H new ATOM 0 HB2 GLN A 48 -23.739 11.982 -18.753 1.00 13.41 H new ATOM 0 HB3 GLN A 48 -23.732 12.841 -17.225 1.00 13.41 H new ATOM 0 HG2 GLN A 48 -25.904 13.806 -17.664 1.00 55.41 H new ATOM 0 HG3 GLN A 48 -25.892 13.230 -19.319 1.00 55.41 H new ATOM 0 HE21 GLN A 48 -26.382 12.401 -15.950 1.00 62.02 H new ATOM 0 HE22 GLN A 48 -27.031 10.780 -16.223 1.00 62.02 H new ATOM 739 N LYS A 49 -21.134 14.540 -18.078 1.00 62.43 N ATOM 740 CA LYS A 49 -19.684 14.407 -18.001 1.00 2.11 C ATOM 741 C LYS A 49 -19.261 13.831 -16.653 1.00 73.54 C ATOM 742 O LYS A 49 -19.851 14.146 -15.620 1.00 0.52 O ATOM 743 CB LYS A 49 -19.015 15.766 -18.219 1.00 4.15 C ATOM 744 CG LYS A 49 -19.687 16.902 -17.467 1.00 44.33 C ATOM 745 CD LYS A 49 -20.455 17.815 -18.408 1.00 34.01 C ATOM 746 CE LYS A 49 -19.699 19.108 -18.671 1.00 54.24 C ATOM 747 NZ LYS A 49 -20.450 20.013 -19.585 1.00 51.31 N ATOM 0 H LYS A 49 -21.534 15.193 -17.404 1.00 62.43 H new ATOM 0 HA LYS A 49 -19.365 13.721 -18.786 1.00 2.11 H new ATOM 0 HB2 LYS A 49 -17.972 15.702 -17.908 1.00 4.15 H new ATOM 0 HB3 LYS A 49 -19.017 15.996 -19.285 1.00 4.15 H new ATOM 0 HG2 LYS A 49 -20.367 16.493 -16.720 1.00 44.33 H new ATOM 0 HG3 LYS A 49 -18.934 17.480 -16.931 1.00 44.33 H new ATOM 0 HD2 LYS A 49 -20.634 17.299 -19.351 1.00 34.01 H new ATOM 0 HD3 LYS A 49 -21.431 18.044 -17.979 1.00 34.01 H new ATOM 0 HE2 LYS A 49 -19.513 19.619 -17.726 1.00 54.24 H new ATOM 0 HE3 LYS A 49 -18.726 18.878 -19.106 1.00 54.24 H new ATOM 0 HZ1 LYS A 49 -19.902 20.883 -19.740 1.00 51.31 H new ATOM 0 HZ2 LYS A 49 -20.606 19.535 -20.496 1.00 51.31 H new ATOM 0 HZ3 LYS A 49 -21.368 20.253 -19.159 1.00 51.31 H new ATOM 761 N TYR A 50 -18.237 12.985 -16.672 1.00 2.30 N ATOM 762 CA TYR A 50 -17.736 12.364 -15.451 1.00 52.25 C ATOM 763 C TYR A 50 -16.213 12.281 -15.468 1.00 21.41 C ATOM 764 O TYR A 50 -15.579 12.491 -16.502 1.00 70.23 O ATOM 765 CB TYR A 50 -18.333 10.966 -15.284 1.00 60.21 C ATOM 766 CG TYR A 50 -19.816 10.902 -15.570 1.00 53.33 C ATOM 767 CD1 TYR A 50 -20.287 10.758 -16.870 1.00 13.24 C ATOM 768 CD2 TYR A 50 -20.747 10.987 -14.542 1.00 3.30 C ATOM 769 CE1 TYR A 50 -21.642 10.700 -17.136 1.00 43.41 C ATOM 770 CE2 TYR A 50 -22.103 10.929 -14.799 1.00 23.10 C ATOM 771 CZ TYR A 50 -22.545 10.786 -16.097 1.00 72.45 C ATOM 772 OH TYR A 50 -23.895 10.728 -16.358 1.00 13.53 O ATOM 0 H TYR A 50 -17.738 12.713 -17.519 1.00 2.30 H new ATOM 0 HA TYR A 50 -18.038 12.984 -14.607 1.00 52.25 H new ATOM 0 HB2 TYR A 50 -17.813 10.276 -15.949 1.00 60.21 H new ATOM 0 HB3 TYR A 50 -18.153 10.623 -14.265 1.00 60.21 H new ATOM 0 HD1 TYR A 50 -19.582 10.690 -17.686 1.00 13.24 H new ATOM 0 HD2 TYR A 50 -20.404 11.100 -13.524 1.00 3.30 H new ATOM 0 HE1 TYR A 50 -21.992 10.588 -18.152 1.00 43.41 H new ATOM 0 HE2 TYR A 50 -22.813 10.995 -13.988 1.00 23.10 H new ATOM 0 HH TYR A 50 -24.394 10.802 -15.518 1.00 13.53 H new ATOM 782 N PHE A 51 -15.631 11.971 -14.314 1.00 14.43 N ATOM 783 CA PHE A 51 -14.182 11.860 -14.193 1.00 74.24 C ATOM 784 C PHE A 51 -13.751 10.397 -14.156 1.00 61.41 C ATOM 785 O PHE A 51 -14.305 9.594 -13.405 1.00 2.14 O ATOM 786 CB PHE A 51 -13.697 12.579 -12.933 1.00 31.41 C ATOM 787 CG PHE A 51 -14.009 14.048 -12.923 1.00 34.21 C ATOM 788 CD1 PHE A 51 -15.311 14.492 -12.756 1.00 73.43 C ATOM 789 CD2 PHE A 51 -13.001 14.985 -13.081 1.00 31.14 C ATOM 790 CE1 PHE A 51 -15.602 15.843 -12.746 1.00 72.12 C ATOM 791 CE2 PHE A 51 -13.286 16.337 -13.071 1.00 2.31 C ATOM 792 CZ PHE A 51 -14.588 16.767 -12.905 1.00 20.22 C ATOM 0 H PHE A 51 -16.141 11.792 -13.449 1.00 14.43 H new ATOM 0 HA PHE A 51 -13.732 12.331 -15.067 1.00 74.24 H new ATOM 0 HB2 PHE A 51 -14.154 12.113 -12.060 1.00 31.41 H new ATOM 0 HB3 PHE A 51 -12.619 12.444 -12.839 1.00 31.41 H new ATOM 0 HD1 PHE A 51 -16.108 13.774 -12.632 1.00 73.43 H new ATOM 0 HD2 PHE A 51 -11.981 14.655 -13.213 1.00 31.14 H new ATOM 0 HE1 PHE A 51 -16.621 16.176 -12.614 1.00 72.12 H new ATOM 0 HE2 PHE A 51 -12.491 17.057 -13.193 1.00 2.31 H new ATOM 0 HZ PHE A 51 -14.813 17.823 -12.900 1.00 20.22 H new ATOM 802 N ARG A 52 -12.759 10.057 -14.973 1.00 50.50 N ATOM 803 CA ARG A 52 -12.254 8.691 -15.035 1.00 41.34 C ATOM 804 C ARG A 52 -10.728 8.675 -15.019 1.00 71.55 C ATOM 805 O ARG A 52 -10.082 9.373 -15.801 1.00 1.44 O ATOM 806 CB ARG A 52 -12.769 7.991 -16.294 1.00 51.43 C ATOM 807 CG ARG A 52 -14.205 7.507 -16.178 1.00 12.54 C ATOM 808 CD ARG A 52 -15.191 8.661 -16.270 1.00 52.52 C ATOM 809 NE ARG A 52 -16.398 8.293 -17.006 1.00 64.12 N ATOM 810 CZ ARG A 52 -17.417 7.635 -16.465 1.00 4.03 C ATOM 811 NH1 ARG A 52 -17.375 7.276 -15.189 1.00 73.31 N ATOM 812 NH2 ARG A 52 -18.480 7.336 -17.199 1.00 73.34 N ATOM 0 H ARG A 52 -12.289 10.709 -15.601 1.00 50.50 H new ATOM 0 HA ARG A 52 -12.615 8.156 -14.157 1.00 41.34 H new ATOM 0 HB2 ARG A 52 -12.693 8.677 -17.138 1.00 51.43 H new ATOM 0 HB3 ARG A 52 -12.125 7.140 -16.516 1.00 51.43 H new ATOM 0 HG2 ARG A 52 -14.412 6.786 -16.969 1.00 12.54 H new ATOM 0 HG3 ARG A 52 -14.339 6.987 -15.230 1.00 12.54 H new ATOM 0 HD2 ARG A 52 -15.464 8.986 -15.266 1.00 52.52 H new ATOM 0 HD3 ARG A 52 -14.712 9.509 -16.760 1.00 52.52 H new ATOM 0 HE ARG A 52 -16.462 8.556 -17.989 1.00 64.12 H new ATOM 0 HH11 ARG A 52 -16.559 7.505 -14.621 1.00 73.31 H new ATOM 0 HH12 ARG A 52 -18.159 6.771 -14.775 1.00 73.31 H new ATOM 0 HH21 ARG A 52 -18.516 7.611 -18.180 1.00 73.34 H new ATOM 0 HH22 ARG A 52 -19.262 6.831 -16.782 1.00 73.34 H new ATOM 826 N ILE A 53 -10.160 7.873 -14.125 1.00 62.01 N ATOM 827 CA ILE A 53 -8.711 7.765 -14.008 1.00 41.32 C ATOM 828 C ILE A 53 -8.242 6.340 -14.279 1.00 30.30 C ATOM 829 O ILE A 53 -8.849 5.375 -13.812 1.00 14.31 O ATOM 830 CB ILE A 53 -8.225 8.197 -12.612 1.00 10.00 C ATOM 831 CG1 ILE A 53 -8.102 6.980 -11.692 1.00 44.52 C ATOM 832 CG2 ILE A 53 -9.175 9.225 -12.015 1.00 63.12 C ATOM 833 CD1 ILE A 53 -6.773 6.266 -11.810 1.00 13.31 C ATOM 0 H ILE A 53 -10.681 7.289 -13.471 1.00 62.01 H new ATOM 0 HA ILE A 53 -8.284 8.434 -14.755 1.00 41.32 H new ATOM 0 HB ILE A 53 -7.241 8.655 -12.712 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -8.244 7.299 -10.659 1.00 44.52 H new ATOM 0 HG13 ILE A 53 -8.904 6.278 -11.921 1.00 44.52 H new ATOM 0 HG21 ILE A 53 -8.818 9.520 -11.028 1.00 63.12 H new ATOM 0 HG22 ILE A 53 -9.217 10.101 -12.663 1.00 63.12 H new ATOM 0 HG23 ILE A 53 -10.171 8.791 -11.926 1.00 63.12 H new ATOM 0 HD11 ILE A 53 -6.756 5.414 -11.130 1.00 13.31 H new ATOM 0 HD12 ILE A 53 -6.638 5.916 -12.833 1.00 13.31 H new ATOM 0 HD13 ILE A 53 -5.967 6.953 -11.552 1.00 13.31 H new ATOM 845 N LEU A 54 -7.157 6.213 -15.035 1.00 1.42 N ATOM 846 CA LEU A 54 -6.604 4.905 -15.367 1.00 21.12 C ATOM 847 C LEU A 54 -5.196 4.749 -14.800 1.00 74.22 C ATOM 848 O LEU A 54 -4.300 5.534 -15.111 1.00 32.21 O ATOM 849 CB LEU A 54 -6.580 4.710 -16.884 1.00 22.52 C ATOM 850 CG LEU A 54 -6.782 3.277 -17.379 1.00 51.24 C ATOM 851 CD1 LEU A 54 -6.520 3.188 -18.875 1.00 34.22 C ATOM 852 CD2 LEU A 54 -5.878 2.317 -16.620 1.00 11.34 C ATOM 0 H LEU A 54 -6.643 7.000 -15.430 1.00 1.42 H new ATOM 0 HA LEU A 54 -7.242 4.143 -14.919 1.00 21.12 H new ATOM 0 HB2 LEU A 54 -7.355 5.338 -17.323 1.00 22.52 H new ATOM 0 HB3 LEU A 54 -5.624 5.073 -17.262 1.00 22.52 H new ATOM 0 HG LEU A 54 -7.818 2.992 -17.194 1.00 51.24 H new ATOM 0 HD11 LEU A 54 -6.668 2.161 -19.210 1.00 34.22 H new ATOM 0 HD12 LEU A 54 -7.209 3.846 -19.405 1.00 34.22 H new ATOM 0 HD13 LEU A 54 -5.495 3.493 -19.084 1.00 34.22 H new ATOM 0 HD21 LEU A 54 -6.036 1.302 -16.986 1.00 11.34 H new ATOM 0 HD22 LEU A 54 -4.837 2.600 -16.773 1.00 11.34 H new ATOM 0 HD23 LEU A 54 -6.113 2.360 -15.557 1.00 11.34 H new ATOM 864 N PHE A 55 -5.008 3.729 -13.969 1.00 15.32 N ATOM 865 CA PHE A 55 -3.709 3.469 -13.360 1.00 14.05 C ATOM 866 C PHE A 55 -3.186 2.093 -13.761 1.00 34.23 C ATOM 867 O PHE A 55 -3.821 1.074 -13.489 1.00 64.20 O ATOM 868 CB PHE A 55 -3.809 3.565 -11.836 1.00 3.03 C ATOM 869 CG PHE A 55 -2.636 2.959 -11.119 1.00 43.42 C ATOM 870 CD1 PHE A 55 -1.351 3.106 -11.618 1.00 74.12 C ATOM 871 CD2 PHE A 55 -2.817 2.244 -9.947 1.00 12.14 C ATOM 872 CE1 PHE A 55 -0.271 2.549 -10.961 1.00 65.12 C ATOM 873 CE2 PHE A 55 -1.740 1.685 -9.285 1.00 10.21 C ATOM 874 CZ PHE A 55 -0.465 1.839 -9.793 1.00 21.24 C ATOM 0 H PHE A 55 -5.739 3.069 -13.702 1.00 15.32 H new ATOM 0 HA PHE A 55 -3.009 4.223 -13.720 1.00 14.05 H new ATOM 0 HB2 PHE A 55 -3.897 4.613 -11.551 1.00 3.03 H new ATOM 0 HB3 PHE A 55 -4.722 3.068 -11.508 1.00 3.03 H new ATOM 0 HD1 PHE A 55 -1.193 3.662 -12.530 1.00 74.12 H new ATOM 0 HD2 PHE A 55 -3.812 2.122 -9.545 1.00 12.14 H new ATOM 0 HE1 PHE A 55 0.725 2.669 -11.361 1.00 65.12 H new ATOM 0 HE2 PHE A 55 -1.895 1.129 -8.372 1.00 10.21 H new ATOM 0 HZ PHE A 55 0.379 1.405 -9.277 1.00 21.24 H new ATOM 884 N GLN A 56 -2.026 2.073 -14.409 1.00 13.20 N ATOM 885 CA GLN A 56 -1.419 0.823 -14.849 1.00 23.22 C ATOM 886 C GLN A 56 0.070 0.796 -14.519 1.00 61.51 C ATOM 887 O GLN A 56 0.720 1.839 -14.452 1.00 21.35 O ATOM 888 CB GLN A 56 -1.624 0.633 -16.353 1.00 3.02 C ATOM 889 CG GLN A 56 -3.086 0.574 -16.765 1.00 3.02 C ATOM 890 CD GLN A 56 -3.340 1.229 -18.108 1.00 54.10 C ATOM 891 OE1 GLN A 56 -3.829 0.590 -19.041 1.00 3.34 O ATOM 892 NE2 GLN A 56 -3.010 2.511 -18.214 1.00 32.01 N ATOM 0 H GLN A 56 -1.488 2.908 -14.641 1.00 13.20 H new ATOM 0 HA GLN A 56 -1.906 0.005 -14.318 1.00 23.22 H new ATOM 0 HB2 GLN A 56 -1.138 1.452 -16.884 1.00 3.02 H new ATOM 0 HB3 GLN A 56 -1.130 -0.287 -16.665 1.00 3.02 H new ATOM 0 HG2 GLN A 56 -3.406 -0.467 -16.806 1.00 3.02 H new ATOM 0 HG3 GLN A 56 -3.694 1.065 -16.005 1.00 3.02 H new ATOM 0 HE21 GLN A 56 -2.608 3.002 -17.416 1.00 32.01 H new ATOM 0 HE22 GLN A 56 -3.159 3.005 -19.094 1.00 32.01 H new ATOM 901 N SER A 57 0.604 -0.404 -14.314 1.00 70.44 N ATOM 902 CA SER A 57 2.016 -0.567 -13.987 1.00 73.35 C ATOM 903 C SER A 57 2.831 -0.874 -15.240 1.00 5.13 C ATOM 904 O SER A 57 2.290 -0.961 -16.342 1.00 43.32 O ATOM 905 CB SER A 57 2.197 -1.686 -12.960 1.00 62.32 C ATOM 906 OG SER A 57 3.055 -1.279 -11.908 1.00 54.31 O ATOM 0 H SER A 57 0.080 -1.278 -14.369 1.00 70.44 H new ATOM 0 HA SER A 57 2.376 0.369 -13.561 1.00 73.35 H new ATOM 0 HB2 SER A 57 1.227 -1.970 -12.553 1.00 62.32 H new ATOM 0 HB3 SER A 57 2.609 -2.569 -13.448 1.00 62.32 H new ATOM 0 HG SER A 57 2.815 -1.756 -11.087 1.00 54.31 H new ATOM 912 N LYS A 58 4.138 -1.037 -15.062 1.00 1.13 N ATOM 913 CA LYS A 58 5.031 -1.335 -16.175 1.00 61.10 C ATOM 914 C LYS A 58 5.291 -2.835 -16.277 1.00 41.44 C ATOM 915 O LYS A 58 5.134 -3.431 -17.343 1.00 32.42 O ATOM 916 CB LYS A 58 6.356 -0.587 -16.007 1.00 72.45 C ATOM 917 CG LYS A 58 6.702 0.307 -17.185 1.00 5.21 C ATOM 918 CD LYS A 58 7.430 1.563 -16.736 1.00 12.43 C ATOM 919 CE LYS A 58 8.938 1.408 -16.858 1.00 51.22 C ATOM 920 NZ LYS A 58 9.461 2.035 -18.104 1.00 33.31 N ATOM 0 H LYS A 58 4.602 -0.968 -14.156 1.00 1.13 H new ATOM 0 HA LYS A 58 4.548 -1.004 -17.095 1.00 61.10 H new ATOM 0 HB2 LYS A 58 6.309 0.019 -15.103 1.00 72.45 H new ATOM 0 HB3 LYS A 58 7.157 -1.312 -15.864 1.00 72.45 H new ATOM 0 HG2 LYS A 58 7.325 -0.243 -17.890 1.00 5.21 H new ATOM 0 HG3 LYS A 58 5.790 0.583 -17.714 1.00 5.21 H new ATOM 0 HD2 LYS A 58 7.101 2.410 -17.338 1.00 12.43 H new ATOM 0 HD3 LYS A 58 7.169 1.786 -15.701 1.00 12.43 H new ATOM 0 HE2 LYS A 58 9.421 1.862 -15.993 1.00 51.22 H new ATOM 0 HE3 LYS A 58 9.196 0.349 -16.848 1.00 51.22 H new ATOM 0 HZ1 LYS A 58 10.492 1.908 -18.150 1.00 33.31 H new ATOM 0 HZ2 LYS A 58 9.019 1.585 -18.931 1.00 33.31 H new ATOM 0 HZ3 LYS A 58 9.237 3.051 -18.102 1.00 33.31 H new ATOM 934 N LYS A 59 5.689 -3.439 -15.163 1.00 35.01 N ATOM 935 CA LYS A 59 5.968 -4.870 -15.126 1.00 13.35 C ATOM 936 C LYS A 59 4.675 -5.674 -15.032 1.00 1.05 C ATOM 937 O LYS A 59 4.695 -6.905 -15.054 1.00 61.42 O ATOM 938 CB LYS A 59 6.875 -5.202 -13.939 1.00 62.30 C ATOM 939 CG LYS A 59 8.076 -4.281 -13.815 1.00 65.00 C ATOM 940 CD LYS A 59 9.381 -5.061 -13.828 1.00 13.50 C ATOM 941 CE LYS A 59 9.808 -5.409 -15.246 1.00 13.04 C ATOM 942 NZ LYS A 59 10.625 -6.653 -15.289 1.00 2.13 N ATOM 0 H LYS A 59 5.826 -2.960 -14.273 1.00 35.01 H new ATOM 0 HA LYS A 59 6.477 -5.140 -16.051 1.00 13.35 H new ATOM 0 HB2 LYS A 59 6.291 -5.149 -13.020 1.00 62.30 H new ATOM 0 HB3 LYS A 59 7.224 -6.230 -14.036 1.00 62.30 H new ATOM 0 HG2 LYS A 59 8.072 -3.564 -14.636 1.00 65.00 H new ATOM 0 HG3 LYS A 59 8.003 -3.708 -12.890 1.00 65.00 H new ATOM 0 HD2 LYS A 59 10.162 -4.474 -13.345 1.00 13.50 H new ATOM 0 HD3 LYS A 59 9.265 -5.976 -13.247 1.00 13.50 H new ATOM 0 HE2 LYS A 59 8.924 -5.533 -15.871 1.00 13.04 H new ATOM 0 HE3 LYS A 59 10.382 -4.583 -15.666 1.00 13.04 H new ATOM 0 HZ1 LYS A 59 10.896 -6.856 -16.272 1.00 2.13 H new ATOM 0 HZ2 LYS A 59 11.481 -6.526 -14.713 1.00 2.13 H new ATOM 0 HZ3 LYS A 59 10.069 -7.447 -14.912 1.00 2.13 H new ATOM 956 N LEU A 60 3.553 -4.971 -14.927 1.00 73.15 N ATOM 957 CA LEU A 60 2.250 -5.620 -14.832 1.00 34.12 C ATOM 958 C LEU A 60 2.135 -6.761 -15.837 1.00 74.33 C ATOM 959 O LEU A 60 2.339 -6.569 -17.036 1.00 11.12 O ATOM 960 CB LEU A 60 1.132 -4.602 -15.068 1.00 64.32 C ATOM 961 CG LEU A 60 0.813 -4.284 -16.529 1.00 50.52 C ATOM 962 CD1 LEU A 60 -0.378 -3.343 -16.622 1.00 51.41 C ATOM 963 CD2 LEU A 60 2.027 -3.680 -17.221 1.00 73.42 C ATOM 0 H LEU A 60 3.519 -3.952 -14.905 1.00 73.15 H new ATOM 0 HA LEU A 60 2.150 -6.033 -13.828 1.00 34.12 H new ATOM 0 HB2 LEU A 60 0.224 -4.972 -14.591 1.00 64.32 H new ATOM 0 HB3 LEU A 60 1.401 -3.673 -14.565 1.00 64.32 H new ATOM 0 HG LEU A 60 0.556 -5.214 -17.036 1.00 50.52 H new ATOM 0 HD11 LEU A 60 -0.591 -3.128 -17.669 1.00 51.41 H new ATOM 0 HD12 LEU A 60 -1.249 -3.812 -16.164 1.00 51.41 H new ATOM 0 HD13 LEU A 60 -0.149 -2.414 -16.100 1.00 51.41 H new ATOM 0 HD21 LEU A 60 1.782 -3.460 -18.260 1.00 73.42 H new ATOM 0 HD22 LEU A 60 2.315 -2.759 -16.713 1.00 73.42 H new ATOM 0 HD23 LEU A 60 2.855 -4.388 -17.186 1.00 73.42 H new ATOM 975 N SER A 61 1.804 -7.949 -15.341 1.00 70.31 N ATOM 976 CA SER A 61 1.663 -9.122 -16.196 1.00 31.32 C ATOM 977 C SER A 61 0.198 -9.528 -16.324 1.00 53.34 C ATOM 978 O SER A 61 -0.598 -9.317 -15.409 1.00 65.43 O ATOM 979 CB SER A 61 2.479 -10.289 -15.636 1.00 4.32 C ATOM 980 OG SER A 61 3.869 -10.066 -15.805 1.00 34.31 O ATOM 0 H SER A 61 1.628 -8.125 -14.352 1.00 70.31 H new ATOM 0 HA SER A 61 2.040 -8.866 -17.186 1.00 31.32 H new ATOM 0 HB2 SER A 61 2.254 -10.419 -14.577 1.00 4.32 H new ATOM 0 HB3 SER A 61 2.192 -11.212 -16.139 1.00 4.32 H new ATOM 0 HG SER A 61 4.076 -9.128 -15.611 1.00 34.31 H new ATOM 986 N GLU A 62 -0.151 -10.110 -17.467 1.00 65.25 N ATOM 987 CA GLU A 62 -1.520 -10.544 -17.717 1.00 31.55 C ATOM 988 C GLU A 62 -1.872 -11.754 -16.855 1.00 55.13 C ATOM 989 O GLU A 62 -3.016 -11.912 -16.425 1.00 23.11 O ATOM 990 CB GLU A 62 -1.709 -10.886 -19.196 1.00 54.41 C ATOM 991 CG GLU A 62 -1.767 -9.665 -20.099 1.00 72.35 C ATOM 992 CD GLU A 62 -2.262 -9.995 -21.494 1.00 53.13 C ATOM 993 OE1 GLU A 62 -3.096 -10.915 -21.625 1.00 32.50 O ATOM 994 OE2 GLU A 62 -1.816 -9.333 -22.455 1.00 33.33 O ATOM 0 H GLU A 62 0.496 -10.292 -18.235 1.00 65.25 H new ATOM 0 HA GLU A 62 -2.188 -9.724 -17.454 1.00 31.55 H new ATOM 0 HB2 GLU A 62 -0.890 -11.528 -19.519 1.00 54.41 H new ATOM 0 HB3 GLU A 62 -2.629 -11.459 -19.313 1.00 54.41 H new ATOM 0 HG2 GLU A 62 -2.423 -8.918 -19.652 1.00 72.35 H new ATOM 0 HG3 GLU A 62 -0.775 -9.219 -20.165 1.00 72.35 H new ATOM 1001 N LEU A 63 -0.883 -12.605 -16.608 1.00 70.24 N ATOM 1002 CA LEU A 63 -1.087 -13.802 -15.799 1.00 11.40 C ATOM 1003 C LEU A 63 -1.176 -13.448 -14.318 1.00 20.42 C ATOM 1004 O LEU A 63 -1.114 -12.277 -13.943 1.00 44.12 O ATOM 1005 CB LEU A 63 0.050 -14.798 -16.030 1.00 45.21 C ATOM 1006 CG LEU A 63 -0.054 -15.655 -17.292 1.00 50.00 C ATOM 1007 CD1 LEU A 63 -1.338 -16.469 -17.279 1.00 73.43 C ATOM 1008 CD2 LEU A 63 0.014 -14.782 -18.537 1.00 30.23 C ATOM 0 H LEU A 63 0.069 -12.489 -16.956 1.00 70.24 H new ATOM 0 HA LEU A 63 -2.029 -14.260 -16.102 1.00 11.40 H new ATOM 0 HB2 LEU A 63 0.989 -14.245 -16.067 1.00 45.21 H new ATOM 0 HB3 LEU A 63 0.105 -15.462 -15.168 1.00 45.21 H new ATOM 0 HG LEU A 63 0.790 -16.345 -17.310 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -1.395 -17.073 -18.185 1.00 73.43 H new ATOM 0 HD12 LEU A 63 -1.346 -17.122 -16.406 1.00 73.43 H new ATOM 0 HD13 LEU A 63 -2.195 -15.796 -17.237 1.00 73.43 H new ATOM 0 HD21 LEU A 63 -0.062 -15.409 -19.426 1.00 30.23 H new ATOM 0 HD22 LEU A 63 -0.809 -14.068 -18.526 1.00 30.23 H new ATOM 0 HD23 LEU A 63 0.962 -14.243 -18.552 1.00 30.23 H new ATOM 1020 N HIS A 64 -1.320 -14.469 -13.479 1.00 21.42 N ATOM 1021 CA HIS A 64 -1.414 -14.267 -12.037 1.00 53.14 C ATOM 1022 C HIS A 64 -2.628 -13.411 -11.687 1.00 71.42 C ATOM 1023 O HIS A 64 -2.506 -12.274 -11.232 1.00 41.03 O ATOM 1024 CB HIS A 64 -0.141 -13.606 -11.509 1.00 64.05 C ATOM 1025 CG HIS A 64 0.890 -14.584 -11.036 1.00 32.40 C ATOM 1026 ND1 HIS A 64 1.021 -14.960 -9.716 1.00 14.34 N ATOM 1027 CD2 HIS A 64 1.841 -15.267 -11.716 1.00 33.14 C ATOM 1028 CE1 HIS A 64 2.008 -15.830 -9.603 1.00 45.42 C ATOM 1029 NE2 HIS A 64 2.522 -16.034 -10.803 1.00 5.43 N ATOM 0 H HIS A 64 -1.374 -15.444 -13.773 1.00 21.42 H new ATOM 0 HA HIS A 64 -1.530 -15.243 -11.565 1.00 53.14 H new ATOM 0 HB2 HIS A 64 0.291 -12.988 -12.296 1.00 64.05 H new ATOM 0 HB3 HIS A 64 -0.402 -12.939 -10.687 1.00 64.05 H new ATOM 0 HD2 HIS A 64 2.029 -15.218 -12.778 1.00 33.14 H new ATOM 0 HE1 HIS A 64 2.339 -16.295 -8.686 1.00 45.42 H new ATOM 0 HE2 HIS A 64 3.299 -16.660 -11.017 1.00 5.43 H new ATOM 1037 N PRO A 65 -3.828 -13.969 -11.904 1.00 75.33 N ATOM 1038 CA PRO A 65 -5.087 -13.275 -11.619 1.00 14.23 C ATOM 1039 C PRO A 65 -5.329 -13.103 -10.123 1.00 24.31 C ATOM 1040 O PRO A 65 -6.148 -12.285 -9.707 1.00 72.04 O ATOM 1041 CB PRO A 65 -6.147 -14.196 -12.229 1.00 41.20 C ATOM 1042 CG PRO A 65 -5.520 -15.547 -12.228 1.00 62.24 C ATOM 1043 CD PRO A 65 -4.049 -15.321 -12.445 1.00 30.34 C ATOM 0 HA PRO A 65 -5.095 -12.264 -12.027 1.00 14.23 H new ATOM 0 HB2 PRO A 65 -7.066 -14.185 -11.642 1.00 41.20 H new ATOM 0 HB3 PRO A 65 -6.410 -13.882 -13.239 1.00 41.20 H new ATOM 0 HG2 PRO A 65 -5.701 -16.060 -11.284 1.00 62.24 H new ATOM 0 HG3 PRO A 65 -5.939 -16.172 -13.016 1.00 62.24 H new ATOM 0 HD2 PRO A 65 -3.447 -16.066 -11.924 1.00 30.34 H new ATOM 0 HD3 PRO A 65 -3.785 -15.379 -13.501 1.00 30.34 H new ATOM 1051 N GLU A 66 -4.609 -13.880 -9.319 1.00 61.11 N ATOM 1052 CA GLU A 66 -4.746 -13.813 -7.869 1.00 32.00 C ATOM 1053 C GLU A 66 -4.347 -12.436 -7.348 1.00 1.52 C ATOM 1054 O GLU A 66 -4.898 -11.951 -6.360 1.00 22.32 O ATOM 1055 CB GLU A 66 -3.888 -14.891 -7.203 1.00 14.22 C ATOM 1056 CG GLU A 66 -4.676 -15.820 -6.294 1.00 42.12 C ATOM 1057 CD GLU A 66 -3.817 -16.442 -5.210 1.00 42.13 C ATOM 1058 OE1 GLU A 66 -3.693 -15.830 -4.129 1.00 24.04 O ATOM 1059 OE2 GLU A 66 -3.269 -17.539 -5.443 1.00 60.44 O ATOM 0 H GLU A 66 -3.926 -14.562 -9.647 1.00 61.11 H new ATOM 0 HA GLU A 66 -5.793 -13.987 -7.620 1.00 32.00 H new ATOM 0 HB2 GLU A 66 -3.398 -15.483 -7.976 1.00 14.22 H new ATOM 0 HB3 GLU A 66 -3.101 -14.410 -6.623 1.00 14.22 H new ATOM 0 HG2 GLU A 66 -5.492 -15.264 -5.832 1.00 42.12 H new ATOM 0 HG3 GLU A 66 -5.128 -16.611 -6.893 1.00 42.12 H new ATOM 1066 N GLU A 67 -3.385 -11.811 -8.020 1.00 23.12 N ATOM 1067 CA GLU A 67 -2.911 -10.490 -7.624 1.00 24.35 C ATOM 1068 C GLU A 67 -3.927 -9.414 -7.994 1.00 43.31 C ATOM 1069 O GLU A 67 -4.054 -8.402 -7.305 1.00 2.42 O ATOM 1070 CB GLU A 67 -1.565 -10.187 -8.286 1.00 52.10 C ATOM 1071 CG GLU A 67 -0.470 -11.173 -7.918 1.00 64.45 C ATOM 1072 CD GLU A 67 0.373 -10.701 -6.749 1.00 75.02 C ATOM 1073 OE1 GLU A 67 0.621 -9.481 -6.650 1.00 75.33 O ATOM 1074 OE2 GLU A 67 0.783 -11.552 -5.933 1.00 23.23 O ATOM 0 H GLU A 67 -2.919 -12.198 -8.841 1.00 23.12 H new ATOM 0 HA GLU A 67 -2.783 -10.487 -6.541 1.00 24.35 H new ATOM 0 HB2 GLU A 67 -1.694 -10.187 -9.368 1.00 52.10 H new ATOM 0 HB3 GLU A 67 -1.248 -9.183 -8.003 1.00 52.10 H new ATOM 0 HG2 GLU A 67 -0.920 -12.135 -7.671 1.00 64.45 H new ATOM 0 HG3 GLU A 67 0.173 -11.335 -8.783 1.00 64.45 H new ATOM 1081 N ARG A 68 -4.647 -9.640 -9.088 1.00 12.12 N ATOM 1082 CA ARG A 68 -5.651 -8.689 -9.552 1.00 24.33 C ATOM 1083 C ARG A 68 -6.630 -8.344 -8.434 1.00 0.32 C ATOM 1084 O ARG A 68 -6.866 -7.171 -8.140 1.00 63.43 O ATOM 1085 CB ARG A 68 -6.410 -9.261 -10.751 1.00 24.04 C ATOM 1086 CG ARG A 68 -6.118 -8.540 -12.056 1.00 52.52 C ATOM 1087 CD ARG A 68 -5.106 -9.300 -12.899 1.00 11.20 C ATOM 1088 NE ARG A 68 -4.789 -8.597 -14.139 1.00 60.34 N ATOM 1089 CZ ARG A 68 -5.616 -8.527 -15.176 1.00 53.13 C ATOM 1090 NH1 ARG A 68 -6.804 -9.113 -15.122 1.00 14.24 N ATOM 1091 NH2 ARG A 68 -5.256 -7.869 -16.271 1.00 2.12 N ATOM 0 H ARG A 68 -4.554 -10.473 -9.670 1.00 12.12 H new ATOM 0 HA ARG A 68 -5.138 -7.777 -9.857 1.00 24.33 H new ATOM 0 HB2 ARG A 68 -6.155 -10.315 -10.863 1.00 24.04 H new ATOM 0 HB3 ARG A 68 -7.480 -9.212 -10.550 1.00 24.04 H new ATOM 0 HG2 ARG A 68 -7.043 -8.417 -12.619 1.00 52.52 H new ATOM 0 HG3 ARG A 68 -5.739 -7.541 -11.844 1.00 52.52 H new ATOM 0 HD2 ARG A 68 -4.193 -9.448 -12.323 1.00 11.20 H new ATOM 0 HD3 ARG A 68 -5.499 -10.289 -13.133 1.00 11.20 H new ATOM 0 HE ARG A 68 -3.883 -8.134 -14.213 1.00 60.34 H new ATOM 0 HH11 ARG A 68 -7.085 -9.619 -14.282 1.00 14.24 H new ATOM 0 HH12 ARG A 68 -7.437 -9.057 -15.920 1.00 14.24 H new ATOM 0 HH21 ARG A 68 -4.343 -7.416 -16.317 1.00 2.12 H new ATOM 0 HH22 ARG A 68 -5.892 -7.816 -17.067 1.00 2.12 H new ATOM 1105 N LYS A 69 -7.198 -9.372 -7.813 1.00 54.03 N ATOM 1106 CA LYS A 69 -8.152 -9.179 -6.727 1.00 42.12 C ATOM 1107 C LYS A 69 -7.479 -8.529 -5.522 1.00 74.11 C ATOM 1108 O LYS A 69 -8.076 -7.697 -4.838 1.00 74.34 O ATOM 1109 CB LYS A 69 -8.770 -10.518 -6.319 1.00 63.23 C ATOM 1110 CG LYS A 69 -7.742 -11.582 -5.974 1.00 71.11 C ATOM 1111 CD LYS A 69 -8.406 -12.873 -5.526 1.00 25.44 C ATOM 1112 CE LYS A 69 -9.046 -12.724 -4.154 1.00 54.23 C ATOM 1113 NZ LYS A 69 -9.211 -14.037 -3.473 1.00 31.53 N ATOM 0 H LYS A 69 -7.014 -10.348 -8.043 1.00 54.03 H new ATOM 0 HA LYS A 69 -8.941 -8.516 -7.083 1.00 42.12 H new ATOM 0 HB2 LYS A 69 -9.421 -10.361 -5.459 1.00 63.23 H new ATOM 0 HB3 LYS A 69 -9.398 -10.882 -7.132 1.00 63.23 H new ATOM 0 HG2 LYS A 69 -7.113 -11.777 -6.843 1.00 71.11 H new ATOM 0 HG3 LYS A 69 -7.088 -11.215 -5.183 1.00 71.11 H new ATOM 0 HD2 LYS A 69 -9.164 -13.164 -6.253 1.00 25.44 H new ATOM 0 HD3 LYS A 69 -7.666 -13.673 -5.499 1.00 25.44 H new ATOM 0 HE2 LYS A 69 -8.432 -12.069 -3.536 1.00 54.23 H new ATOM 0 HE3 LYS A 69 -10.019 -12.244 -4.258 1.00 54.23 H new ATOM 0 HZ1 LYS A 69 -9.650 -13.892 -2.542 1.00 31.53 H new ATOM 0 HZ2 LYS A 69 -9.818 -14.653 -4.050 1.00 31.53 H new ATOM 0 HZ3 LYS A 69 -8.280 -14.484 -3.351 1.00 31.53 H new ATOM 1127 N LYS A 70 -6.233 -8.913 -5.268 1.00 10.25 N ATOM 1128 CA LYS A 70 -5.477 -8.366 -4.147 1.00 34.22 C ATOM 1129 C LYS A 70 -5.373 -6.848 -4.250 1.00 44.11 C ATOM 1130 O LYS A 70 -5.703 -6.127 -3.308 1.00 62.32 O ATOM 1131 CB LYS A 70 -4.078 -8.983 -4.100 1.00 5.43 C ATOM 1132 CG LYS A 70 -3.246 -8.514 -2.918 1.00 42.34 C ATOM 1133 CD LYS A 70 -2.185 -9.535 -2.543 1.00 35.15 C ATOM 1134 CE LYS A 70 -2.726 -10.566 -1.563 1.00 55.43 C ATOM 1135 NZ LYS A 70 -1.934 -11.826 -1.591 1.00 33.33 N ATOM 0 H LYS A 70 -5.725 -9.601 -5.823 1.00 10.25 H new ATOM 0 HA LYS A 70 -6.007 -8.614 -3.227 1.00 34.22 H new ATOM 0 HB2 LYS A 70 -4.170 -10.068 -4.061 1.00 5.43 H new ATOM 0 HB3 LYS A 70 -3.552 -8.740 -5.023 1.00 5.43 H new ATOM 0 HG2 LYS A 70 -2.769 -7.565 -3.162 1.00 42.34 H new ATOM 0 HG3 LYS A 70 -3.897 -8.333 -2.063 1.00 42.34 H new ATOM 0 HD2 LYS A 70 -1.828 -10.038 -3.442 1.00 35.15 H new ATOM 0 HD3 LYS A 70 -1.328 -9.026 -2.101 1.00 35.15 H new ATOM 0 HE2 LYS A 70 -2.713 -10.151 -0.555 1.00 55.43 H new ATOM 0 HE3 LYS A 70 -3.766 -10.785 -1.804 1.00 55.43 H new ATOM 0 HZ1 LYS A 70 -2.334 -12.503 -0.910 1.00 33.33 H new ATOM 0 HZ2 LYS A 70 -1.967 -12.236 -2.546 1.00 33.33 H new ATOM 0 HZ3 LYS A 70 -0.947 -11.621 -1.336 1.00 33.33 H new ATOM 1149 N VAL A 71 -4.912 -6.368 -5.401 1.00 52.01 N ATOM 1150 CA VAL A 71 -4.767 -4.935 -5.628 1.00 64.24 C ATOM 1151 C VAL A 71 -6.126 -4.251 -5.711 1.00 14.24 C ATOM 1152 O VAL A 71 -6.281 -3.103 -5.293 1.00 53.05 O ATOM 1153 CB VAL A 71 -3.981 -4.649 -6.922 1.00 31.10 C ATOM 1154 CG1 VAL A 71 -2.555 -5.166 -6.807 1.00 33.35 C ATOM 1155 CG2 VAL A 71 -4.686 -5.267 -8.120 1.00 43.23 C ATOM 0 H VAL A 71 -4.633 -6.951 -6.190 1.00 52.01 H new ATOM 0 HA VAL A 71 -4.214 -4.535 -4.779 1.00 64.24 H new ATOM 0 HB VAL A 71 -3.939 -3.570 -7.070 1.00 31.10 H new ATOM 0 HG11 VAL A 71 -2.016 -4.955 -7.730 1.00 33.35 H new ATOM 0 HG12 VAL A 71 -2.055 -4.672 -5.974 1.00 33.35 H new ATOM 0 HG13 VAL A 71 -2.571 -6.242 -6.634 1.00 33.35 H new ATOM 0 HG21 VAL A 71 -4.118 -5.055 -9.026 1.00 43.23 H new ATOM 0 HG22 VAL A 71 -4.760 -6.346 -7.982 1.00 43.23 H new ATOM 0 HG23 VAL A 71 -5.686 -4.843 -8.212 1.00 43.23 H new ATOM 1165 N ARG A 72 -7.110 -4.963 -6.251 1.00 24.41 N ATOM 1166 CA ARG A 72 -8.457 -4.425 -6.389 1.00 12.54 C ATOM 1167 C ARG A 72 -9.017 -4.007 -5.032 1.00 32.10 C ATOM 1168 O ARG A 72 -9.453 -2.870 -4.853 1.00 72.45 O ATOM 1169 CB ARG A 72 -9.379 -5.459 -7.036 1.00 74.05 C ATOM 1170 CG ARG A 72 -10.033 -4.973 -8.320 1.00 31.32 C ATOM 1171 CD ARG A 72 -9.507 -5.726 -9.532 1.00 52.42 C ATOM 1172 NE ARG A 72 -9.924 -5.103 -10.786 1.00 33.21 N ATOM 1173 CZ ARG A 72 -9.321 -5.318 -11.950 1.00 21.34 C ATOM 1174 NH1 ARG A 72 -8.280 -6.136 -12.019 1.00 63.20 N ATOM 1175 NH2 ARG A 72 -9.759 -4.715 -13.047 1.00 53.01 N ATOM 0 H ARG A 72 -6.999 -5.915 -6.600 1.00 24.41 H new ATOM 0 HA ARG A 72 -8.405 -3.544 -7.029 1.00 12.54 H new ATOM 0 HB2 ARG A 72 -8.806 -6.361 -7.249 1.00 74.05 H new ATOM 0 HB3 ARG A 72 -10.157 -5.736 -6.324 1.00 74.05 H new ATOM 0 HG2 ARG A 72 -11.113 -5.102 -8.251 1.00 31.32 H new ATOM 0 HG3 ARG A 72 -9.846 -3.906 -8.444 1.00 31.32 H new ATOM 0 HD2 ARG A 72 -8.418 -5.765 -9.491 1.00 52.42 H new ATOM 0 HD3 ARG A 72 -9.864 -6.756 -9.502 1.00 52.42 H new ATOM 0 HE ARG A 72 -10.722 -4.468 -10.767 1.00 33.21 H new ATOM 0 HH11 ARG A 72 -7.941 -6.602 -11.177 1.00 63.20 H new ATOM 0 HH12 ARG A 72 -7.818 -6.300 -12.914 1.00 63.20 H new ATOM 0 HH21 ARG A 72 -10.560 -4.085 -12.998 1.00 53.01 H new ATOM 0 HH22 ARG A 72 -9.295 -4.881 -13.940 1.00 53.01 H new ATOM 1189 N GLU A 73 -9.002 -4.935 -4.080 1.00 64.01 N ATOM 1190 CA GLU A 73 -9.509 -4.663 -2.741 1.00 13.25 C ATOM 1191 C GLU A 73 -8.584 -3.708 -1.992 1.00 22.24 C ATOM 1192 O GLU A 73 -9.039 -2.835 -1.252 1.00 74.34 O ATOM 1193 CB GLU A 73 -9.660 -5.966 -1.954 1.00 34.33 C ATOM 1194 CG GLU A 73 -8.358 -6.730 -1.784 1.00 45.34 C ATOM 1195 CD GLU A 73 -8.572 -8.149 -1.295 1.00 52.13 C ATOM 1196 OE1 GLU A 73 -9.556 -8.783 -1.731 1.00 20.33 O ATOM 1197 OE2 GLU A 73 -7.757 -8.625 -0.478 1.00 14.24 O ATOM 0 H GLU A 73 -8.644 -5.881 -4.212 1.00 64.01 H new ATOM 0 HA GLU A 73 -10.487 -4.191 -2.840 1.00 13.25 H new ATOM 0 HB2 GLU A 73 -10.070 -5.740 -0.970 1.00 34.33 H new ATOM 0 HB3 GLU A 73 -10.383 -6.605 -2.461 1.00 34.33 H new ATOM 0 HG2 GLU A 73 -7.829 -6.754 -2.737 1.00 45.34 H new ATOM 0 HG3 GLU A 73 -7.719 -6.199 -1.078 1.00 45.34 H new ATOM 1204 N LYS A 74 -7.281 -3.881 -2.188 1.00 11.03 N ATOM 1205 CA LYS A 74 -6.290 -3.036 -1.533 1.00 25.12 C ATOM 1206 C LYS A 74 -6.488 -1.572 -1.910 1.00 52.52 C ATOM 1207 O LYS A 74 -6.588 -0.704 -1.042 1.00 20.42 O ATOM 1208 CB LYS A 74 -4.876 -3.484 -1.913 1.00 35.43 C ATOM 1209 CG LYS A 74 -3.781 -2.637 -1.289 1.00 52.55 C ATOM 1210 CD LYS A 74 -3.711 -2.835 0.215 1.00 3.24 C ATOM 1211 CE LYS A 74 -3.163 -4.208 0.572 1.00 62.24 C ATOM 1212 NZ LYS A 74 -2.838 -4.317 2.021 1.00 72.12 N ATOM 0 H LYS A 74 -6.887 -4.599 -2.796 1.00 11.03 H new ATOM 0 HA LYS A 74 -6.420 -3.136 -0.455 1.00 25.12 H new ATOM 0 HB2 LYS A 74 -4.739 -4.522 -1.609 1.00 35.43 H new ATOM 0 HB3 LYS A 74 -4.774 -3.454 -2.998 1.00 35.43 H new ATOM 0 HG2 LYS A 74 -2.821 -2.895 -1.736 1.00 52.55 H new ATOM 0 HG3 LYS A 74 -3.963 -1.585 -1.510 1.00 52.55 H new ATOM 0 HD2 LYS A 74 -3.079 -2.064 0.655 1.00 3.24 H new ATOM 0 HD3 LYS A 74 -4.705 -2.716 0.645 1.00 3.24 H new ATOM 0 HE2 LYS A 74 -3.894 -4.971 0.306 1.00 62.24 H new ATOM 0 HE3 LYS A 74 -2.267 -4.406 -0.017 1.00 62.24 H new ATOM 0 HZ1 LYS A 74 -2.468 -5.268 2.223 1.00 72.12 H new ATOM 0 HZ2 LYS A 74 -2.121 -3.606 2.270 1.00 72.12 H new ATOM 0 HZ3 LYS A 74 -3.698 -4.154 2.583 1.00 72.12 H new ATOM 1226 N PHE A 75 -6.546 -1.303 -3.210 1.00 53.23 N ATOM 1227 CA PHE A 75 -6.734 0.057 -3.702 1.00 42.13 C ATOM 1228 C PHE A 75 -8.131 0.570 -3.365 1.00 23.24 C ATOM 1229 O PHE A 75 -8.318 1.754 -3.084 1.00 71.13 O ATOM 1230 CB PHE A 75 -6.511 0.110 -5.215 1.00 43.11 C ATOM 1231 CG PHE A 75 -7.768 0.358 -5.998 1.00 52.31 C ATOM 1232 CD1 PHE A 75 -8.217 1.650 -6.222 1.00 70.22 C ATOM 1233 CD2 PHE A 75 -8.502 -0.700 -6.510 1.00 23.13 C ATOM 1234 CE1 PHE A 75 -9.374 1.882 -6.943 1.00 24.23 C ATOM 1235 CE2 PHE A 75 -9.659 -0.474 -7.231 1.00 64.33 C ATOM 1236 CZ PHE A 75 -10.096 0.818 -7.447 1.00 2.11 C ATOM 0 H PHE A 75 -6.466 -2.009 -3.942 1.00 53.23 H new ATOM 0 HA PHE A 75 -6.002 0.698 -3.211 1.00 42.13 H new ATOM 0 HB2 PHE A 75 -5.791 0.896 -5.441 1.00 43.11 H new ATOM 0 HB3 PHE A 75 -6.068 -0.831 -5.542 1.00 43.11 H new ATOM 0 HD1 PHE A 75 -7.657 2.485 -5.829 1.00 70.22 H new ATOM 0 HD2 PHE A 75 -8.166 -1.713 -6.344 1.00 23.13 H new ATOM 0 HE1 PHE A 75 -9.712 2.894 -7.112 1.00 24.23 H new ATOM 0 HE2 PHE A 75 -10.221 -1.308 -7.625 1.00 64.33 H new ATOM 0 HZ PHE A 75 -11.001 0.996 -8.009 1.00 2.11 H new ATOM 1246 N ASP A 76 -9.108 -0.330 -3.394 1.00 44.12 N ATOM 1247 CA ASP A 76 -10.488 0.030 -3.091 1.00 61.00 C ATOM 1248 C ASP A 76 -10.601 0.613 -1.686 1.00 35.22 C ATOM 1249 O ASP A 76 -11.198 1.671 -1.489 1.00 42.15 O ATOM 1250 CB ASP A 76 -11.397 -1.193 -3.224 1.00 53.45 C ATOM 1251 CG ASP A 76 -12.187 -1.188 -4.518 1.00 54.03 C ATOM 1252 OD1 ASP A 76 -12.694 -0.112 -4.901 1.00 32.34 O ATOM 1253 OD2 ASP A 76 -12.298 -2.260 -5.149 1.00 52.21 O ATOM 0 H ASP A 76 -8.970 -1.314 -3.624 1.00 44.12 H new ATOM 0 HA ASP A 76 -10.806 0.789 -3.806 1.00 61.00 H new ATOM 0 HB2 ASP A 76 -10.793 -2.099 -3.174 1.00 53.45 H new ATOM 0 HB3 ASP A 76 -12.087 -1.223 -2.381 1.00 53.45 H new ATOM 1258 N GLU A 77 -10.026 -0.086 -0.712 1.00 70.14 N ATOM 1259 CA GLU A 77 -10.065 0.362 0.675 1.00 40.13 C ATOM 1260 C GLU A 77 -9.214 1.614 0.866 1.00 3.01 C ATOM 1261 O GLU A 77 -9.652 2.588 1.476 1.00 30.04 O ATOM 1262 CB GLU A 77 -9.575 -0.748 1.607 1.00 73.34 C ATOM 1263 CG GLU A 77 -10.557 -1.899 1.751 1.00 15.45 C ATOM 1264 CD GLU A 77 -9.879 -3.201 2.128 1.00 22.21 C ATOM 1265 OE1 GLU A 77 -8.680 -3.166 2.477 1.00 41.35 O ATOM 1266 OE2 GLU A 77 -10.546 -4.256 2.074 1.00 4.54 O ATOM 0 H GLU A 77 -9.528 -0.964 -0.858 1.00 70.14 H new ATOM 0 HA GLU A 77 -11.098 0.604 0.923 1.00 40.13 H new ATOM 0 HB2 GLU A 77 -8.628 -1.135 1.231 1.00 73.34 H new ATOM 0 HB3 GLU A 77 -9.378 -0.324 2.592 1.00 73.34 H new ATOM 0 HG2 GLU A 77 -11.298 -1.647 2.510 1.00 15.45 H new ATOM 0 HG3 GLU A 77 -11.095 -2.032 0.812 1.00 15.45 H new ATOM 1273 N ASN A 78 -7.994 1.579 0.340 1.00 63.01 N ATOM 1274 CA ASN A 78 -7.080 2.710 0.453 1.00 24.33 C ATOM 1275 C ASN A 78 -7.745 3.997 -0.023 1.00 52.22 C ATOM 1276 O ASN A 78 -7.551 5.062 0.563 1.00 42.24 O ATOM 1277 CB ASN A 78 -5.809 2.449 -0.358 1.00 70.41 C ATOM 1278 CG ASN A 78 -4.690 3.410 -0.006 1.00 55.23 C ATOM 1279 OD1 ASN A 78 -4.876 4.627 -0.020 1.00 0.23 O ATOM 1280 ND2 ASN A 78 -3.521 2.867 0.311 1.00 70.24 N ATOM 0 H ASN A 78 -7.615 0.780 -0.169 1.00 63.01 H new ATOM 0 HA ASN A 78 -6.815 2.827 1.504 1.00 24.33 H new ATOM 0 HB2 ASN A 78 -5.474 1.426 -0.184 1.00 70.41 H new ATOM 0 HB3 ASN A 78 -6.036 2.534 -1.421 1.00 70.41 H new ATOM 0 HD21 ASN A 78 -2.731 3.464 0.556 1.00 70.24 H new ATOM 0 HD22 ASN A 78 -3.413 1.853 0.309 1.00 70.24 H new ATOM 1287 N SER A 79 -8.531 3.891 -1.090 1.00 35.24 N ATOM 1288 CA SER A 79 -9.224 5.047 -1.647 1.00 63.33 C ATOM 1289 C SER A 79 -10.430 5.422 -0.792 1.00 51.11 C ATOM 1290 O SER A 79 -10.676 6.599 -0.529 1.00 2.34 O ATOM 1291 CB SER A 79 -9.671 4.757 -3.081 1.00 71.23 C ATOM 1292 OG SER A 79 -9.286 5.802 -3.957 1.00 11.42 O ATOM 0 H SER A 79 -8.704 3.017 -1.586 1.00 35.24 H new ATOM 0 HA SER A 79 -8.530 5.888 -1.653 1.00 63.33 H new ATOM 0 HB2 SER A 79 -9.235 3.817 -3.418 1.00 71.23 H new ATOM 0 HB3 SER A 79 -10.754 4.635 -3.110 1.00 71.23 H new ATOM 0 HG SER A 79 -9.582 5.592 -4.867 1.00 11.42 H new ATOM 1298 N ARG A 80 -11.180 4.412 -0.362 1.00 4.41 N ATOM 1299 CA ARG A 80 -12.361 4.635 0.462 1.00 14.24 C ATOM 1300 C ARG A 80 -11.967 5.057 1.875 1.00 73.11 C ATOM 1301 O ARG A 80 -12.817 5.443 2.677 1.00 4.24 O ATOM 1302 CB ARG A 80 -13.217 3.369 0.517 1.00 75.41 C ATOM 1303 CG ARG A 80 -12.867 2.446 1.673 1.00 62.34 C ATOM 1304 CD ARG A 80 -13.752 2.706 2.881 1.00 20.35 C ATOM 1305 NE ARG A 80 -14.151 1.467 3.544 1.00 10.02 N ATOM 1306 CZ ARG A 80 -14.873 1.429 4.659 1.00 51.44 C ATOM 1307 NH1 ARG A 80 -15.273 2.556 5.231 1.00 14.14 N ATOM 1308 NH2 ARG A 80 -15.197 0.263 5.202 1.00 65.21 N ATOM 0 H ARG A 80 -10.990 3.432 -0.571 1.00 4.41 H new ATOM 0 HA ARG A 80 -12.942 5.439 0.010 1.00 14.24 H new ATOM 0 HB2 ARG A 80 -14.266 3.653 0.595 1.00 75.41 H new ATOM 0 HB3 ARG A 80 -13.104 2.823 -0.420 1.00 75.41 H new ATOM 0 HG2 ARG A 80 -12.976 1.408 1.357 1.00 62.34 H new ATOM 0 HG3 ARG A 80 -11.822 2.587 1.949 1.00 62.34 H new ATOM 0 HD2 ARG A 80 -13.221 3.341 3.590 1.00 20.35 H new ATOM 0 HD3 ARG A 80 -14.642 3.252 2.568 1.00 20.35 H new ATOM 0 HE ARG A 80 -13.859 0.582 3.128 1.00 10.02 H new ATOM 0 HH11 ARG A 80 -15.027 3.454 4.815 1.00 14.14 H new ATOM 0 HH12 ARG A 80 -15.827 2.525 6.087 1.00 14.14 H new ATOM 0 HH21 ARG A 80 -14.892 -0.606 4.764 1.00 65.21 H new ATOM 0 HH22 ARG A 80 -15.751 0.235 6.058 1.00 65.21 H new ATOM 1322 N MET A 81 -10.674 4.979 2.171 1.00 51.30 N ATOM 1323 CA MET A 81 -10.168 5.354 3.486 1.00 22.44 C ATOM 1324 C MET A 81 -10.850 6.621 3.991 1.00 43.43 C ATOM 1325 O MET A 81 -11.259 7.472 3.201 1.00 0.12 O ATOM 1326 CB MET A 81 -8.653 5.562 3.433 1.00 31.12 C ATOM 1327 CG MET A 81 -7.856 4.287 3.656 1.00 71.24 C ATOM 1328 SD MET A 81 -8.006 3.659 5.339 1.00 3.02 S ATOM 1329 CE MET A 81 -9.051 2.229 5.076 1.00 74.02 C ATOM 0 H MET A 81 -9.958 4.660 1.519 1.00 51.30 H new ATOM 0 HA MET A 81 -10.392 4.542 4.178 1.00 22.44 H new ATOM 0 HB2 MET A 81 -8.386 5.983 2.464 1.00 31.12 H new ATOM 0 HB3 MET A 81 -8.369 6.295 4.188 1.00 31.12 H new ATOM 0 HG2 MET A 81 -8.196 3.524 2.956 1.00 71.24 H new ATOM 0 HG3 MET A 81 -6.806 4.477 3.435 1.00 71.24 H new ATOM 0 HE1 MET A 81 -9.706 2.094 5.937 1.00 74.02 H new ATOM 0 HE2 MET A 81 -9.655 2.379 4.181 1.00 74.02 H new ATOM 0 HE3 MET A 81 -8.430 1.342 4.950 1.00 74.02 H new ATOM 1339 N GLN A 82 -10.968 6.740 5.309 1.00 33.22 N ATOM 1340 CA GLN A 82 -11.602 7.904 5.917 1.00 21.13 C ATOM 1341 C GLN A 82 -10.970 9.195 5.408 1.00 11.45 C ATOM 1342 O GLN A 82 -9.826 9.201 4.953 1.00 12.21 O ATOM 1343 CB GLN A 82 -11.491 7.834 7.441 1.00 24.43 C ATOM 1344 CG GLN A 82 -12.380 6.772 8.068 1.00 64.51 C ATOM 1345 CD GLN A 82 -12.859 7.155 9.454 1.00 5.01 C ATOM 1346 OE1 GLN A 82 -12.544 6.487 10.439 1.00 22.32 O ATOM 1347 NE2 GLN A 82 -13.624 8.237 9.538 1.00 32.30 N ATOM 0 H GLN A 82 -10.633 6.045 5.976 1.00 33.22 H new ATOM 0 HA GLN A 82 -12.655 7.901 5.636 1.00 21.13 H new ATOM 0 HB2 GLN A 82 -10.454 7.635 7.713 1.00 24.43 H new ATOM 0 HB3 GLN A 82 -11.749 8.806 7.861 1.00 24.43 H new ATOM 0 HG2 GLN A 82 -13.243 6.600 7.424 1.00 64.51 H new ATOM 0 HG3 GLN A 82 -11.832 5.832 8.124 1.00 64.51 H new ATOM 0 HE21 GLN A 82 -13.860 8.761 8.695 1.00 32.30 H new ATOM 0 HE22 GLN A 82 -13.975 8.544 10.445 1.00 32.30 H new ATOM 1356 N TYR A 83 -11.722 10.287 5.489 1.00 52.44 N ATOM 1357 CA TYR A 83 -11.237 11.585 5.034 1.00 63.24 C ATOM 1358 C TYR A 83 -9.969 11.985 5.782 1.00 12.32 C ATOM 1359 O TYR A 83 -9.027 12.513 5.192 1.00 43.11 O ATOM 1360 CB TYR A 83 -12.315 12.652 5.226 1.00 10.41 C ATOM 1361 CG TYR A 83 -11.972 13.981 4.590 1.00 33.33 C ATOM 1362 CD1 TYR A 83 -11.270 14.039 3.393 1.00 41.12 C ATOM 1363 CD2 TYR A 83 -12.350 15.177 5.187 1.00 1.22 C ATOM 1364 CE1 TYR A 83 -10.954 15.250 2.808 1.00 2.44 C ATOM 1365 CE2 TYR A 83 -12.040 16.393 4.609 1.00 25.12 C ATOM 1366 CZ TYR A 83 -11.341 16.424 3.420 1.00 13.31 C ATOM 1367 OH TYR A 83 -11.029 17.633 2.842 1.00 1.40 O ATOM 0 H TYR A 83 -12.670 10.299 5.865 1.00 52.44 H new ATOM 0 HA TYR A 83 -11.001 11.505 3.973 1.00 63.24 H new ATOM 0 HB2 TYR A 83 -13.253 12.289 4.806 1.00 10.41 H new ATOM 0 HB3 TYR A 83 -12.481 12.801 6.293 1.00 10.41 H new ATOM 0 HD1 TYR A 83 -10.966 13.122 2.911 1.00 41.12 H new ATOM 0 HD2 TYR A 83 -12.896 15.156 6.119 1.00 1.22 H new ATOM 0 HE1 TYR A 83 -10.407 15.277 1.877 1.00 2.44 H new ATOM 0 HE2 TYR A 83 -12.343 17.314 5.085 1.00 25.12 H new ATOM 0 HH TYR A 83 -11.375 18.361 3.399 1.00 1.40 H new ATOM 1377 N SER A 84 -9.954 11.730 7.086 1.00 33.44 N ATOM 1378 CA SER A 84 -8.805 12.066 7.918 1.00 23.42 C ATOM 1379 C SER A 84 -7.522 11.482 7.334 1.00 70.03 C ATOM 1380 O SER A 84 -6.529 12.188 7.160 1.00 14.24 O ATOM 1381 CB SER A 84 -9.011 11.548 9.343 1.00 2.21 C ATOM 1382 OG SER A 84 -10.354 11.721 9.759 1.00 13.53 O ATOM 0 H SER A 84 -10.725 11.292 7.589 1.00 33.44 H new ATOM 0 HA SER A 84 -8.712 13.152 7.943 1.00 23.42 H new ATOM 0 HB2 SER A 84 -8.745 10.492 9.391 1.00 2.21 H new ATOM 0 HB3 SER A 84 -8.345 12.076 10.025 1.00 2.21 H new ATOM 0 HG SER A 84 -10.460 11.381 10.672 1.00 13.53 H new ATOM 1388 N GLU A 85 -7.552 10.188 7.032 1.00 20.40 N ATOM 1389 CA GLU A 85 -6.392 9.508 6.468 1.00 44.32 C ATOM 1390 C GLU A 85 -6.167 9.928 5.018 1.00 53.11 C ATOM 1391 O GLU A 85 -5.029 10.027 4.557 1.00 32.40 O ATOM 1392 CB GLU A 85 -6.572 7.991 6.549 1.00 44.01 C ATOM 1393 CG GLU A 85 -5.336 7.209 6.136 1.00 73.41 C ATOM 1394 CD GLU A 85 -4.654 6.534 7.310 1.00 62.53 C ATOM 1395 OE1 GLU A 85 -4.536 7.173 8.376 1.00 65.33 O ATOM 1396 OE2 GLU A 85 -4.238 5.365 7.162 1.00 52.14 O ATOM 0 H GLU A 85 -8.367 9.590 7.168 1.00 20.40 H new ATOM 0 HA GLU A 85 -5.517 9.794 7.051 1.00 44.32 H new ATOM 0 HB2 GLU A 85 -6.839 7.719 7.570 1.00 44.01 H new ATOM 0 HB3 GLU A 85 -7.407 7.698 5.912 1.00 44.01 H new ATOM 0 HG2 GLU A 85 -5.617 6.455 5.401 1.00 73.41 H new ATOM 0 HG3 GLU A 85 -4.631 7.882 5.649 1.00 73.41 H new ATOM 1403 N LEU A 86 -7.260 10.174 4.304 1.00 70.44 N ATOM 1404 CA LEU A 86 -7.184 10.582 2.905 1.00 13.43 C ATOM 1405 C LEU A 86 -6.468 11.922 2.768 1.00 61.04 C ATOM 1406 O LEU A 86 -5.628 12.100 1.886 1.00 71.01 O ATOM 1407 CB LEU A 86 -8.588 10.678 2.305 1.00 62.45 C ATOM 1408 CG LEU A 86 -8.737 10.184 0.865 1.00 23.20 C ATOM 1409 CD1 LEU A 86 -7.899 11.031 -0.079 1.00 43.54 C ATOM 1410 CD2 LEU A 86 -8.342 8.718 0.761 1.00 75.33 C ATOM 0 H LEU A 86 -8.209 10.098 4.670 1.00 70.44 H new ATOM 0 HA LEU A 86 -6.614 9.828 2.362 1.00 13.43 H new ATOM 0 HB2 LEU A 86 -9.271 10.109 2.936 1.00 62.45 H new ATOM 0 HB3 LEU A 86 -8.909 11.719 2.346 1.00 62.45 H new ATOM 0 HG LEU A 86 -9.783 10.280 0.575 1.00 23.20 H new ATOM 0 HD11 LEU A 86 -8.018 10.665 -1.099 1.00 43.54 H new ATOM 0 HD12 LEU A 86 -8.228 12.069 -0.026 1.00 43.54 H new ATOM 0 HD13 LEU A 86 -6.850 10.968 0.210 1.00 43.54 H new ATOM 0 HD21 LEU A 86 -8.454 8.383 -0.270 1.00 75.33 H new ATOM 0 HD22 LEU A 86 -7.304 8.598 1.071 1.00 75.33 H new ATOM 0 HD23 LEU A 86 -8.985 8.121 1.408 1.00 75.33 H new ATOM 1422 N MET A 87 -6.804 12.860 3.647 1.00 53.13 N ATOM 1423 CA MET A 87 -6.190 14.183 3.625 1.00 33.30 C ATOM 1424 C MET A 87 -4.799 14.147 4.250 1.00 33.41 C ATOM 1425 O MET A 87 -3.931 14.950 3.907 1.00 55.13 O ATOM 1426 CB MET A 87 -7.070 15.189 4.369 1.00 53.35 C ATOM 1427 CG MET A 87 -7.811 16.145 3.448 1.00 52.23 C ATOM 1428 SD MET A 87 -6.698 17.201 2.501 1.00 3.33 S ATOM 1429 CE MET A 87 -6.875 16.499 0.863 1.00 33.33 C ATOM 0 H MET A 87 -7.498 12.729 4.383 1.00 53.13 H new ATOM 0 HA MET A 87 -6.094 14.495 2.585 1.00 33.30 H new ATOM 0 HB2 MET A 87 -7.795 14.646 4.976 1.00 53.35 H new ATOM 0 HB3 MET A 87 -6.449 15.766 5.054 1.00 53.35 H new ATOM 0 HG2 MET A 87 -8.434 15.572 2.761 1.00 52.23 H new ATOM 0 HG3 MET A 87 -8.480 16.768 4.041 1.00 52.23 H new ATOM 0 HE1 MET A 87 -6.653 17.260 0.115 1.00 33.33 H new ATOM 0 HE2 MET A 87 -6.183 15.665 0.748 1.00 33.33 H new ATOM 0 HE3 MET A 87 -7.897 16.145 0.728 1.00 33.33 H new ATOM 1439 N THR A 88 -4.593 13.210 5.170 1.00 21.54 N ATOM 1440 CA THR A 88 -3.308 13.070 5.844 1.00 32.12 C ATOM 1441 C THR A 88 -2.264 12.459 4.917 1.00 74.44 C ATOM 1442 O THR A 88 -1.153 12.973 4.791 1.00 24.52 O ATOM 1443 CB THR A 88 -3.429 12.198 7.108 1.00 4.13 C ATOM 1444 OG1 THR A 88 -4.217 12.872 8.095 1.00 11.42 O ATOM 1445 CG2 THR A 88 -2.055 11.881 7.680 1.00 60.54 C ATOM 0 H THR A 88 -5.300 12.537 5.466 1.00 21.54 H new ATOM 0 HA THR A 88 -2.991 14.073 6.132 1.00 32.12 H new ATOM 0 HB THR A 88 -3.916 11.263 6.832 1.00 4.13 H new ATOM 0 HG1 THR A 88 -5.132 12.521 8.079 1.00 11.42 H new ATOM 0 HG21 THR A 88 -2.166 11.264 8.572 1.00 60.54 H new ATOM 0 HG22 THR A 88 -1.467 11.342 6.937 1.00 60.54 H new ATOM 0 HG23 THR A 88 -1.547 12.809 7.941 1.00 60.54 H new ATOM 1453 N LYS A 89 -2.629 11.358 4.267 1.00 1.30 N ATOM 1454 CA LYS A 89 -1.725 10.677 3.348 1.00 22.32 C ATOM 1455 C LYS A 89 -1.358 11.581 2.176 1.00 64.53 C ATOM 1456 O LYS A 89 -0.449 11.274 1.404 1.00 62.42 O ATOM 1457 CB LYS A 89 -2.367 9.388 2.831 1.00 71.34 C ATOM 1458 CG LYS A 89 -1.482 8.163 2.983 1.00 4.11 C ATOM 1459 CD LYS A 89 -1.542 7.604 4.395 1.00 61.44 C ATOM 1460 CE LYS A 89 -0.509 8.260 5.299 1.00 75.53 C ATOM 1461 NZ LYS A 89 -0.321 7.502 6.567 1.00 74.22 N ATOM 0 H LYS A 89 -3.545 10.919 4.360 1.00 1.30 H new ATOM 0 HA LYS A 89 -0.813 10.429 3.891 1.00 22.32 H new ATOM 0 HB2 LYS A 89 -3.302 9.219 3.365 1.00 71.34 H new ATOM 0 HB3 LYS A 89 -2.619 9.515 1.778 1.00 71.34 H new ATOM 0 HG2 LYS A 89 -1.795 7.397 2.274 1.00 4.11 H new ATOM 0 HG3 LYS A 89 -0.453 8.424 2.737 1.00 4.11 H new ATOM 0 HD2 LYS A 89 -2.539 7.760 4.807 1.00 61.44 H new ATOM 0 HD3 LYS A 89 -1.373 6.528 4.369 1.00 61.44 H new ATOM 0 HE2 LYS A 89 0.443 8.329 4.772 1.00 75.53 H new ATOM 0 HE3 LYS A 89 -0.821 9.279 5.528 1.00 75.53 H new ATOM 0 HZ1 LYS A 89 0.390 7.981 7.155 1.00 74.22 H new ATOM 0 HZ2 LYS A 89 -1.223 7.458 7.082 1.00 74.22 H new ATOM 0 HZ3 LYS A 89 0.002 6.537 6.350 1.00 74.22 H new ATOM 1475 N TYR A 90 -2.068 12.696 2.049 1.00 33.40 N ATOM 1476 CA TYR A 90 -1.817 13.643 0.970 1.00 53.51 C ATOM 1477 C TYR A 90 -1.103 14.886 1.492 1.00 43.33 C ATOM 1478 O TYR A 90 -0.140 15.363 0.889 1.00 72.40 O ATOM 1479 CB TYR A 90 -3.132 14.042 0.297 1.00 1.11 C ATOM 1480 CG TYR A 90 -3.001 15.227 -0.633 1.00 61.45 C ATOM 1481 CD1 TYR A 90 -2.260 15.136 -1.805 1.00 62.43 C ATOM 1482 CD2 TYR A 90 -3.617 16.437 -0.341 1.00 32.13 C ATOM 1483 CE1 TYR A 90 -2.137 16.215 -2.658 1.00 44.33 C ATOM 1484 CE2 TYR A 90 -3.501 17.521 -1.189 1.00 2.25 C ATOM 1485 CZ TYR A 90 -2.759 17.406 -2.346 1.00 34.32 C ATOM 1486 OH TYR A 90 -2.640 18.484 -3.192 1.00 42.03 O ATOM 0 H TYR A 90 -2.822 12.966 2.680 1.00 33.40 H new ATOM 0 HA TYR A 90 -1.174 13.157 0.236 1.00 53.51 H new ATOM 0 HB2 TYR A 90 -3.516 13.191 -0.265 1.00 1.11 H new ATOM 0 HB3 TYR A 90 -3.868 14.274 1.066 1.00 1.11 H new ATOM 0 HD1 TYR A 90 -1.772 14.205 -2.053 1.00 62.43 H new ATOM 0 HD2 TYR A 90 -4.197 16.532 0.565 1.00 32.13 H new ATOM 0 HE1 TYR A 90 -1.557 16.127 -3.565 1.00 44.33 H new ATOM 0 HE2 TYR A 90 -3.989 18.454 -0.947 1.00 2.25 H new ATOM 0 HH TYR A 90 -3.139 19.244 -2.826 1.00 42.03 H new ATOM 1496 N HIS A 91 -1.581 15.407 2.618 1.00 63.14 N ATOM 1497 CA HIS A 91 -0.988 16.594 3.223 1.00 23.01 C ATOM 1498 C HIS A 91 0.218 16.222 4.080 1.00 24.12 C ATOM 1499 O HIS A 91 0.985 17.089 4.500 1.00 30.01 O ATOM 1500 CB HIS A 91 -2.024 17.331 4.073 1.00 62.35 C ATOM 1501 CG HIS A 91 -1.924 18.822 3.979 1.00 3.22 C ATOM 1502 ND1 HIS A 91 -1.636 19.626 5.062 1.00 43.43 N ATOM 1503 CD2 HIS A 91 -2.073 19.655 2.923 1.00 53.22 C ATOM 1504 CE1 HIS A 91 -1.614 20.890 4.676 1.00 73.44 C ATOM 1505 NE2 HIS A 91 -1.876 20.934 3.382 1.00 53.32 N ATOM 0 H HIS A 91 -2.377 15.026 3.129 1.00 63.14 H new ATOM 0 HA HIS A 91 -0.653 17.251 2.421 1.00 23.01 H new ATOM 0 HB2 HIS A 91 -3.022 17.022 3.763 1.00 62.35 H new ATOM 0 HB3 HIS A 91 -1.906 17.032 5.115 1.00 62.35 H new ATOM 0 HD2 HIS A 91 -2.304 19.367 1.908 1.00 53.22 H new ATOM 0 HE1 HIS A 91 -1.416 21.741 5.310 1.00 73.44 H new ATOM 0 HE2 HIS A 91 -1.924 21.781 2.816 1.00 53.32 H new ATOM 1513 N ASP A 92 0.380 14.928 4.336 1.00 15.42 N ATOM 1514 CA ASP A 92 1.492 14.441 5.143 1.00 5.50 C ATOM 1515 C ASP A 92 2.607 13.893 4.257 1.00 12.11 C ATOM 1516 O ASP A 92 3.778 14.230 4.435 1.00 42.15 O ATOM 1517 CB ASP A 92 1.013 13.358 6.110 1.00 3.14 C ATOM 1518 CG ASP A 92 1.922 13.215 7.316 1.00 51.14 C ATOM 1519 OD1 ASP A 92 2.281 14.251 7.913 1.00 24.22 O ATOM 1520 OD2 ASP A 92 2.274 12.068 7.661 1.00 61.52 O ATOM 0 H ASP A 92 -0.245 14.198 3.996 1.00 15.42 H new ATOM 0 HA ASP A 92 1.887 15.279 5.717 1.00 5.50 H new ATOM 0 HB2 ASP A 92 0.004 13.595 6.446 1.00 3.14 H new ATOM 0 HB3 ASP A 92 0.958 12.404 5.585 1.00 3.14 H new ATOM 1525 N LEU A 93 2.235 13.046 3.304 1.00 31.20 N ATOM 1526 CA LEU A 93 3.203 12.449 2.390 1.00 0.23 C ATOM 1527 C LEU A 93 3.921 13.524 1.580 1.00 74.33 C ATOM 1528 O LEU A 93 4.997 13.287 1.030 1.00 11.53 O ATOM 1529 CB LEU A 93 2.506 11.465 1.449 1.00 24.45 C ATOM 1530 CG LEU A 93 2.097 10.125 2.063 1.00 0.21 C ATOM 1531 CD1 LEU A 93 1.510 9.209 1.001 1.00 62.41 C ATOM 1532 CD2 LEU A 93 3.287 9.464 2.742 1.00 23.24 C ATOM 0 H LEU A 93 1.270 12.757 3.144 1.00 31.20 H new ATOM 0 HA LEU A 93 3.943 11.912 2.983 1.00 0.23 H new ATOM 0 HB2 LEU A 93 1.614 11.946 1.049 1.00 24.45 H new ATOM 0 HB3 LEU A 93 3.168 11.269 0.606 1.00 24.45 H new ATOM 0 HG LEU A 93 1.332 10.311 2.817 1.00 0.21 H new ATOM 0 HD11 LEU A 93 1.225 8.260 1.456 1.00 62.41 H new ATOM 0 HD12 LEU A 93 0.631 9.679 0.561 1.00 62.41 H new ATOM 0 HD13 LEU A 93 2.253 9.030 0.224 1.00 62.41 H new ATOM 0 HD21 LEU A 93 2.977 8.512 3.173 1.00 23.24 H new ATOM 0 HD22 LEU A 93 4.075 9.291 2.009 1.00 23.24 H new ATOM 0 HD23 LEU A 93 3.663 10.115 3.532 1.00 23.24 H new ATOM 1544 N LYS A 94 3.319 14.706 1.511 1.00 54.24 N ATOM 1545 CA LYS A 94 3.901 15.820 0.771 1.00 73.44 C ATOM 1546 C LYS A 94 5.164 16.328 1.457 1.00 1.14 C ATOM 1547 O LYS A 94 5.919 17.116 0.887 1.00 23.21 O ATOM 1548 CB LYS A 94 2.886 16.957 0.639 1.00 13.40 C ATOM 1549 CG LYS A 94 2.229 17.342 1.954 1.00 45.13 C ATOM 1550 CD LYS A 94 2.810 18.631 2.511 1.00 43.03 C ATOM 1551 CE LYS A 94 3.874 18.354 3.562 1.00 11.41 C ATOM 1552 NZ LYS A 94 3.722 19.238 4.751 1.00 15.01 N ATOM 0 H LYS A 94 2.427 14.918 1.959 1.00 54.24 H new ATOM 0 HA LYS A 94 4.168 15.463 -0.224 1.00 73.44 H new ATOM 0 HB2 LYS A 94 3.385 17.832 0.222 1.00 13.40 H new ATOM 0 HB3 LYS A 94 2.113 16.662 -0.071 1.00 13.40 H new ATOM 0 HG2 LYS A 94 1.156 17.460 1.805 1.00 45.13 H new ATOM 0 HG3 LYS A 94 2.364 16.538 2.678 1.00 45.13 H new ATOM 0 HD2 LYS A 94 3.242 19.217 1.700 1.00 43.03 H new ATOM 0 HD3 LYS A 94 2.013 19.232 2.948 1.00 43.03 H new ATOM 0 HE2 LYS A 94 3.813 17.311 3.874 1.00 11.41 H new ATOM 0 HE3 LYS A 94 4.862 18.499 3.125 1.00 11.41 H new ATOM 0 HZ1 LYS A 94 4.455 19.976 4.731 1.00 15.01 H new ATOM 0 HZ2 LYS A 94 2.782 19.683 4.735 1.00 15.01 H new ATOM 0 HZ3 LYS A 94 3.823 18.673 5.619 1.00 15.01 H new ATOM 1566 N LYS A 95 5.389 15.872 2.685 1.00 63.12 N ATOM 1567 CA LYS A 95 6.563 16.278 3.449 1.00 32.12 C ATOM 1568 C LYS A 95 7.784 15.457 3.048 1.00 43.45 C ATOM 1569 O LYS A 95 8.856 16.007 2.794 1.00 54.31 O ATOM 1570 CB LYS A 95 6.300 16.120 4.949 1.00 52.25 C ATOM 1571 CG LYS A 95 6.560 17.385 5.748 1.00 42.20 C ATOM 1572 CD LYS A 95 7.966 17.912 5.516 1.00 44.01 C ATOM 1573 CE LYS A 95 9.018 16.881 5.896 1.00 33.24 C ATOM 1574 NZ LYS A 95 10.311 17.519 6.267 1.00 23.55 N ATOM 0 H LYS A 95 4.773 15.221 3.172 1.00 63.12 H new ATOM 0 HA LYS A 95 6.764 17.327 3.229 1.00 32.12 H new ATOM 0 HB2 LYS A 95 5.265 15.813 5.098 1.00 52.25 H new ATOM 0 HB3 LYS A 95 6.929 15.319 5.337 1.00 52.25 H new ATOM 0 HG2 LYS A 95 5.834 18.148 5.469 1.00 42.20 H new ATOM 0 HG3 LYS A 95 6.417 17.182 6.809 1.00 42.20 H new ATOM 0 HD2 LYS A 95 8.085 18.185 4.467 1.00 44.01 H new ATOM 0 HD3 LYS A 95 8.117 18.819 6.101 1.00 44.01 H new ATOM 0 HE2 LYS A 95 8.655 16.283 6.732 1.00 33.24 H new ATOM 0 HE3 LYS A 95 9.176 16.199 5.061 1.00 33.24 H new ATOM 0 HZ1 LYS A 95 11.001 16.783 6.519 1.00 23.55 H new ATOM 0 HZ2 LYS A 95 10.670 18.069 5.461 1.00 23.55 H new ATOM 0 HZ3 LYS A 95 10.166 18.151 7.080 1.00 23.55 H new ATOM 1588 N GLN A 96 7.614 14.140 2.991 1.00 44.42 N ATOM 1589 CA GLN A 96 8.704 13.245 2.619 1.00 52.51 C ATOM 1590 C GLN A 96 8.790 13.092 1.104 1.00 55.40 C ATOM 1591 O GLN A 96 9.845 12.767 0.562 1.00 74.44 O ATOM 1592 CB GLN A 96 8.512 11.875 3.272 1.00 50.52 C ATOM 1593 CG GLN A 96 7.335 11.094 2.711 1.00 32.12 C ATOM 1594 CD GLN A 96 7.708 10.267 1.496 1.00 5.45 C ATOM 1595 OE1 GLN A 96 8.843 9.806 1.370 1.00 1.03 O ATOM 1596 NE2 GLN A 96 6.753 10.075 0.594 1.00 4.51 N ATOM 0 H GLN A 96 6.733 13.669 3.197 1.00 44.42 H new ATOM 0 HA GLN A 96 9.637 13.682 2.975 1.00 52.51 H new ATOM 0 HB2 GLN A 96 9.422 11.289 3.142 1.00 50.52 H new ATOM 0 HB3 GLN A 96 8.370 12.009 4.344 1.00 50.52 H new ATOM 0 HG2 GLN A 96 6.938 10.437 3.485 1.00 32.12 H new ATOM 0 HG3 GLN A 96 6.538 11.788 2.443 1.00 32.12 H new ATOM 0 HE21 GLN A 96 5.826 10.476 0.739 1.00 4.51 H new ATOM 0 HE22 GLN A 96 6.946 9.527 -0.244 1.00 4.51 H new ATOM 1605 N GLY A 97 7.671 13.330 0.426 1.00 73.43 N ATOM 1606 CA GLY A 97 7.641 13.212 -1.021 1.00 10.45 C ATOM 1607 C GLY A 97 7.134 14.472 -1.694 1.00 2.30 C ATOM 1608 O GLY A 97 7.547 15.580 -1.348 1.00 35.41 O ATOM 0 H GLY A 97 6.785 13.602 0.852 1.00 73.43 H new ATOM 0 HA2 GLY A 97 8.643 12.987 -1.385 1.00 10.45 H new ATOM 0 HA3 GLY A 97 7.004 12.373 -1.301 1.00 10.45 H new ATOM 1612 N LYS A 98 6.238 14.305 -2.661 1.00 21.04 N ATOM 1613 CA LYS A 98 5.674 15.437 -3.386 1.00 12.12 C ATOM 1614 C LYS A 98 4.463 15.007 -4.209 1.00 3.54 C ATOM 1615 O LYS A 98 4.201 13.815 -4.368 1.00 21.14 O ATOM 1616 CB LYS A 98 6.730 16.061 -4.301 1.00 22.13 C ATOM 1617 CG LYS A 98 7.233 15.118 -5.380 1.00 41.23 C ATOM 1618 CD LYS A 98 8.335 14.211 -4.859 1.00 71.22 C ATOM 1619 CE LYS A 98 9.128 13.587 -5.997 1.00 71.14 C ATOM 1620 NZ LYS A 98 8.283 12.694 -6.838 1.00 20.23 N ATOM 0 H LYS A 98 5.887 13.396 -2.961 1.00 21.04 H new ATOM 0 HA LYS A 98 5.351 16.179 -2.656 1.00 12.12 H new ATOM 0 HB2 LYS A 98 6.310 16.949 -4.773 1.00 22.13 H new ATOM 0 HB3 LYS A 98 7.574 16.391 -3.696 1.00 22.13 H new ATOM 0 HG2 LYS A 98 6.406 14.512 -5.749 1.00 41.23 H new ATOM 0 HG3 LYS A 98 7.606 15.697 -6.225 1.00 41.23 H new ATOM 0 HD2 LYS A 98 9.006 14.783 -4.218 1.00 71.22 H new ATOM 0 HD3 LYS A 98 7.899 13.424 -4.243 1.00 71.22 H new ATOM 0 HE2 LYS A 98 9.553 14.375 -6.618 1.00 71.14 H new ATOM 0 HE3 LYS A 98 9.963 13.018 -5.588 1.00 71.14 H new ATOM 0 HZ1 LYS A 98 8.874 12.236 -7.561 1.00 20.23 H new ATOM 0 HZ2 LYS A 98 7.843 11.967 -6.239 1.00 20.23 H new ATOM 0 HZ3 LYS A 98 7.541 13.255 -7.303 1.00 20.23 H new ATOM 1634 N ILE A 99 3.731 15.986 -4.730 1.00 33.32 N ATOM 1635 CA ILE A 99 2.550 15.708 -5.538 1.00 60.42 C ATOM 1636 C ILE A 99 2.404 16.724 -6.665 1.00 53.14 C ATOM 1637 O ILE A 99 2.692 17.908 -6.490 1.00 54.22 O ATOM 1638 CB ILE A 99 1.268 15.717 -4.684 1.00 63.44 C ATOM 1639 CG1 ILE A 99 0.037 15.525 -5.572 1.00 12.10 C ATOM 1640 CG2 ILE A 99 1.165 17.015 -3.898 1.00 54.03 C ATOM 1641 CD1 ILE A 99 -0.606 16.825 -6.002 1.00 41.03 C ATOM 0 H ILE A 99 3.935 16.978 -4.607 1.00 33.32 H new ATOM 0 HA ILE A 99 2.686 14.714 -5.964 1.00 60.42 H new ATOM 0 HB ILE A 99 1.314 14.890 -3.976 1.00 63.44 H new ATOM 0 HG12 ILE A 99 0.323 14.960 -6.459 1.00 12.10 H new ATOM 0 HG13 ILE A 99 -0.698 14.925 -5.035 1.00 12.10 H new ATOM 0 HG21 ILE A 99 0.254 17.007 -3.299 1.00 54.03 H new ATOM 0 HG22 ILE A 99 2.030 17.112 -3.242 1.00 54.03 H new ATOM 0 HG23 ILE A 99 1.137 17.858 -4.589 1.00 54.03 H new ATOM 0 HD11 ILE A 99 -1.472 16.613 -6.629 1.00 41.03 H new ATOM 0 HD12 ILE A 99 -0.924 17.383 -5.121 1.00 41.03 H new ATOM 0 HD13 ILE A 99 0.114 17.418 -6.567 1.00 41.03 H new ATOM 1653 N LYS A 100 1.952 16.254 -7.823 1.00 43.24 N ATOM 1654 CA LYS A 100 1.764 17.121 -8.980 1.00 53.42 C ATOM 1655 C LYS A 100 0.339 17.013 -9.515 1.00 2.21 C ATOM 1656 O LYS A 100 -0.249 15.932 -9.526 1.00 70.24 O ATOM 1657 CB LYS A 100 2.762 16.760 -10.082 1.00 42.34 C ATOM 1658 CG LYS A 100 4.204 16.714 -9.606 1.00 14.12 C ATOM 1659 CD LYS A 100 4.713 18.097 -9.234 1.00 72.34 C ATOM 1660 CE LYS A 100 5.758 18.028 -8.132 1.00 4.00 C ATOM 1661 NZ LYS A 100 7.010 17.368 -8.595 1.00 44.23 N ATOM 0 H LYS A 100 1.709 15.277 -7.985 1.00 43.24 H new ATOM 0 HA LYS A 100 1.938 18.149 -8.664 1.00 53.42 H new ATOM 0 HB2 LYS A 100 2.495 15.789 -10.499 1.00 42.34 H new ATOM 0 HB3 LYS A 100 2.678 17.487 -10.889 1.00 42.34 H new ATOM 0 HG2 LYS A 100 4.282 16.052 -8.743 1.00 14.12 H new ATOM 0 HG3 LYS A 100 4.833 16.292 -10.390 1.00 14.12 H new ATOM 0 HD2 LYS A 100 5.142 18.577 -10.114 1.00 72.34 H new ATOM 0 HD3 LYS A 100 3.878 18.717 -8.907 1.00 72.34 H new ATOM 0 HE2 LYS A 100 5.986 19.036 -7.784 1.00 4.00 H new ATOM 0 HE3 LYS A 100 5.353 17.481 -7.281 1.00 4.00 H new ATOM 0 HZ1 LYS A 100 7.697 17.341 -7.815 1.00 44.23 H new ATOM 0 HZ2 LYS A 100 6.797 16.398 -8.903 1.00 44.23 H new ATOM 0 HZ3 LYS A 100 7.411 17.904 -9.391 1.00 44.23 H new ATOM 1675 N ASP A 101 -0.209 18.139 -9.958 1.00 3.53 N ATOM 1676 CA ASP A 101 -1.564 18.170 -10.496 1.00 45.53 C ATOM 1677 C ASP A 101 -1.543 18.367 -12.009 1.00 24.11 C ATOM 1678 O ASP A 101 -1.621 19.493 -12.500 1.00 14.24 O ATOM 1679 CB ASP A 101 -2.372 19.288 -9.836 1.00 34.24 C ATOM 1680 CG ASP A 101 -3.796 19.355 -10.352 1.00 51.23 C ATOM 1681 OD1 ASP A 101 -4.197 18.444 -11.107 1.00 15.40 O ATOM 1682 OD2 ASP A 101 -4.509 20.318 -10.001 1.00 52.24 O ATOM 0 H ASP A 101 0.264 19.043 -9.955 1.00 3.53 H new ATOM 0 HA ASP A 101 -2.037 17.213 -10.278 1.00 45.53 H new ATOM 0 HB2 ASP A 101 -2.386 19.134 -8.757 1.00 34.24 H new ATOM 0 HB3 ASP A 101 -1.878 20.243 -10.015 1.00 34.24 H new ATOM 1687 N ARG A 102 -1.435 17.264 -12.742 1.00 62.23 N ATOM 1688 CA ARG A 102 -1.401 17.315 -14.199 1.00 11.01 C ATOM 1689 C ARG A 102 -2.788 17.608 -14.765 1.00 25.11 C ATOM 1690 O ARG A 102 -3.808 17.423 -14.101 1.00 62.31 O ATOM 1691 CB ARG A 102 -0.876 15.994 -14.765 1.00 10.31 C ATOM 1692 CG ARG A 102 0.628 15.981 -14.986 1.00 13.24 C ATOM 1693 CD ARG A 102 1.136 14.578 -15.278 1.00 33.03 C ATOM 1694 NE ARG A 102 2.591 14.495 -15.195 1.00 24.53 N ATOM 1695 CZ ARG A 102 3.283 13.401 -15.496 1.00 42.42 C ATOM 1696 NH1 ARG A 102 2.655 12.305 -15.899 1.00 1.41 N ATOM 1697 NH2 ARG A 102 4.606 13.403 -15.396 1.00 3.33 N ATOM 0 H ARG A 102 -1.370 16.324 -12.351 1.00 62.23 H new ATOM 0 HA ARG A 102 -0.729 18.121 -14.494 1.00 11.01 H new ATOM 0 HB2 ARG A 102 -1.142 15.186 -14.084 1.00 10.31 H new ATOM 0 HB3 ARG A 102 -1.376 15.790 -15.712 1.00 10.31 H new ATOM 0 HG2 ARG A 102 0.881 16.641 -15.816 1.00 13.24 H new ATOM 0 HG3 ARG A 102 1.130 16.374 -14.102 1.00 13.24 H new ATOM 0 HD2 ARG A 102 0.692 13.877 -14.571 1.00 33.03 H new ATOM 0 HD3 ARG A 102 0.812 14.275 -16.274 1.00 33.03 H new ATOM 0 HE ARG A 102 3.105 15.322 -14.889 1.00 24.53 H new ATOM 0 HH11 ARG A 102 1.638 12.300 -15.979 1.00 1.41 H new ATOM 0 HH12 ARG A 102 3.189 11.467 -16.129 1.00 1.41 H new ATOM 0 HH21 ARG A 102 5.093 14.245 -15.088 1.00 3.33 H new ATOM 0 HH22 ARG A 102 5.136 12.563 -15.627 1.00 3.33 H new ATOM 1711 N PRO A 103 -2.827 18.077 -16.021 1.00 33.11 N ATOM 1712 CA PRO A 103 -4.082 18.405 -16.704 1.00 10.51 C ATOM 1713 C PRO A 103 -4.903 17.164 -17.037 1.00 42.31 C ATOM 1714 O PRO A 103 -4.357 16.075 -17.212 1.00 44.14 O ATOM 1715 CB PRO A 103 -3.617 19.099 -17.987 1.00 4.14 C ATOM 1716 CG PRO A 103 -2.247 18.566 -18.230 1.00 2.22 C ATOM 1717 CD PRO A 103 -1.650 18.322 -16.871 1.00 53.12 C ATOM 0 HA PRO A 103 -4.735 19.019 -16.084 1.00 10.51 H new ATOM 0 HB2 PRO A 103 -4.282 18.876 -18.821 1.00 4.14 H new ATOM 0 HB3 PRO A 103 -3.605 20.183 -17.869 1.00 4.14 H new ATOM 0 HG2 PRO A 103 -2.284 17.644 -18.811 1.00 2.22 H new ATOM 0 HG3 PRO A 103 -1.647 19.277 -18.798 1.00 2.22 H new ATOM 0 HD2 PRO A 103 -0.973 17.467 -16.877 1.00 53.12 H new ATOM 0 HD3 PRO A 103 -1.076 19.181 -16.524 1.00 53.12 H new ATOM 1725 N VAL A 104 -6.218 17.336 -17.124 1.00 32.02 N ATOM 1726 CA VAL A 104 -7.114 16.230 -17.438 1.00 34.32 C ATOM 1727 C VAL A 104 -7.239 16.034 -18.945 1.00 12.24 C ATOM 1728 O VAL A 104 -7.388 16.998 -19.697 1.00 25.51 O ATOM 1729 CB VAL A 104 -8.517 16.457 -16.843 1.00 2.22 C ATOM 1730 CG1 VAL A 104 -9.197 17.640 -17.516 1.00 31.42 C ATOM 1731 CG2 VAL A 104 -9.362 15.199 -16.975 1.00 42.22 C ATOM 0 H VAL A 104 -6.686 18.231 -16.981 1.00 32.02 H new ATOM 0 HA VAL A 104 -6.679 15.335 -16.993 1.00 34.32 H new ATOM 0 HB VAL A 104 -8.411 16.685 -15.782 1.00 2.22 H new ATOM 0 HG11 VAL A 104 -10.187 17.785 -17.083 1.00 31.42 H new ATOM 0 HG12 VAL A 104 -8.599 18.538 -17.364 1.00 31.42 H new ATOM 0 HG13 VAL A 104 -9.293 17.445 -18.584 1.00 31.42 H new ATOM 0 HG21 VAL A 104 -10.349 15.378 -16.550 1.00 42.22 H new ATOM 0 HG22 VAL A 104 -9.463 14.937 -18.028 1.00 42.22 H new ATOM 0 HG23 VAL A 104 -8.880 14.379 -16.442 1.00 42.22 H new ATOM 1741 N LYS A 105 -7.179 14.780 -19.380 1.00 2.30 N ATOM 1742 CA LYS A 105 -7.287 14.456 -20.797 1.00 63.04 C ATOM 1743 C LYS A 105 -8.745 14.273 -21.204 1.00 74.01 C ATOM 1744 O LYS A 105 -9.535 13.684 -20.467 1.00 10.24 O ATOM 1745 CB LYS A 105 -6.495 13.185 -21.113 1.00 20.24 C ATOM 1746 CG LYS A 105 -5.521 13.345 -22.267 1.00 1.52 C ATOM 1747 CD LYS A 105 -4.430 14.352 -21.940 1.00 72.31 C ATOM 1748 CE LYS A 105 -3.496 14.565 -23.122 1.00 32.54 C ATOM 1749 NZ LYS A 105 -2.631 15.762 -22.936 1.00 53.51 N ATOM 0 H LYS A 105 -7.056 13.971 -18.771 1.00 2.30 H new ATOM 0 HA LYS A 105 -6.871 15.287 -21.366 1.00 63.04 H new ATOM 0 HB2 LYS A 105 -5.944 12.880 -20.223 1.00 20.24 H new ATOM 0 HB3 LYS A 105 -7.193 12.381 -21.347 1.00 20.24 H new ATOM 0 HG2 LYS A 105 -5.069 12.381 -22.500 1.00 1.52 H new ATOM 0 HG3 LYS A 105 -6.060 13.668 -23.158 1.00 1.52 H new ATOM 0 HD2 LYS A 105 -4.883 15.302 -21.657 1.00 72.31 H new ATOM 0 HD3 LYS A 105 -3.857 14.004 -21.080 1.00 72.31 H new ATOM 0 HE2 LYS A 105 -2.871 13.682 -23.255 1.00 32.54 H new ATOM 0 HE3 LYS A 105 -4.083 14.679 -24.033 1.00 32.54 H new ATOM 0 HZ1 LYS A 105 -2.009 15.873 -23.762 1.00 53.51 H new ATOM 0 HZ2 LYS A 105 -3.227 16.608 -22.835 1.00 53.51 H new ATOM 0 HZ3 LYS A 105 -2.052 15.642 -22.081 1.00 53.51 H new ATOM 1763 N GLU A 106 -9.095 14.780 -22.382 1.00 42.13 N ATOM 1764 CA GLU A 106 -10.459 14.671 -22.886 1.00 21.01 C ATOM 1765 C GLU A 106 -10.730 13.269 -23.424 1.00 22.24 C ATOM 1766 O GLU A 106 -9.893 12.682 -24.110 1.00 4.25 O ATOM 1767 CB GLU A 106 -10.705 15.707 -23.985 1.00 22.21 C ATOM 1768 CG GLU A 106 -10.174 15.288 -25.346 1.00 5.55 C ATOM 1769 CD GLU A 106 -8.679 15.033 -25.335 1.00 21.53 C ATOM 1770 OE1 GLU A 106 -7.943 15.847 -24.739 1.00 64.30 O ATOM 1771 OE2 GLU A 106 -8.246 14.019 -25.921 1.00 43.15 O ATOM 0 H GLU A 106 -8.453 15.270 -23.005 1.00 42.13 H new ATOM 0 HA GLU A 106 -11.141 14.862 -22.058 1.00 21.01 H new ATOM 0 HB2 GLU A 106 -11.776 15.893 -24.064 1.00 22.21 H new ATOM 0 HB3 GLU A 106 -10.238 16.649 -23.696 1.00 22.21 H new ATOM 0 HG2 GLU A 106 -10.691 14.385 -25.671 1.00 5.55 H new ATOM 0 HG3 GLU A 106 -10.401 16.065 -26.076 1.00 5.55 H new ATOM 1778 N VAL A 107 -11.906 12.737 -23.106 1.00 60.33 N ATOM 1779 CA VAL A 107 -12.289 11.404 -23.557 1.00 43.01 C ATOM 1780 C VAL A 107 -13.386 11.475 -24.613 1.00 42.24 C ATOM 1781 O VAL A 107 -14.305 12.289 -24.516 1.00 20.24 O ATOM 1782 CB VAL A 107 -12.777 10.533 -22.384 1.00 5.30 C ATOM 1783 CG1 VAL A 107 -13.709 9.440 -22.882 1.00 73.11 C ATOM 1784 CG2 VAL A 107 -11.594 9.937 -21.636 1.00 62.31 C ATOM 0 H VAL A 107 -12.610 13.209 -22.538 1.00 60.33 H new ATOM 0 HA VAL A 107 -11.399 10.949 -23.992 1.00 43.01 H new ATOM 0 HB VAL A 107 -13.334 11.164 -21.692 1.00 5.30 H new ATOM 0 HG11 VAL A 107 -14.043 8.835 -22.039 1.00 73.11 H new ATOM 0 HG12 VAL A 107 -14.573 9.892 -23.369 1.00 73.11 H new ATOM 0 HG13 VAL A 107 -13.180 8.808 -23.595 1.00 73.11 H new ATOM 0 HG21 VAL A 107 -11.957 9.325 -20.810 1.00 62.31 H new ATOM 0 HG22 VAL A 107 -11.008 9.319 -22.316 1.00 62.31 H new ATOM 0 HG23 VAL A 107 -10.969 10.740 -21.245 1.00 62.31 H new ATOM 1794 N HIS A 108 -13.284 10.617 -25.624 1.00 5.34 N ATOM 1795 CA HIS A 108 -14.268 10.582 -26.699 1.00 73.20 C ATOM 1796 C HIS A 108 -14.917 9.204 -26.797 1.00 5.12 C ATOM 1797 O HIS A 108 -14.552 8.284 -26.066 1.00 63.43 O ATOM 1798 CB HIS A 108 -13.613 10.946 -28.032 1.00 22.54 C ATOM 1799 CG HIS A 108 -13.099 12.352 -28.082 1.00 71.53 C ATOM 1800 ND1 HIS A 108 -13.736 13.408 -27.466 1.00 40.14 N ATOM 1801 CD2 HIS A 108 -12.001 12.872 -28.679 1.00 55.03 C ATOM 1802 CE1 HIS A 108 -13.053 14.518 -27.684 1.00 13.02 C ATOM 1803 NE2 HIS A 108 -11.996 14.220 -28.417 1.00 22.10 N ATOM 0 H HIS A 108 -12.530 9.937 -25.720 1.00 5.34 H new ATOM 0 HA HIS A 108 -15.043 11.314 -26.472 1.00 73.20 H new ATOM 0 HB2 HIS A 108 -12.788 10.259 -28.222 1.00 22.54 H new ATOM 0 HB3 HIS A 108 -14.337 10.804 -28.834 1.00 22.54 H new ATOM 0 HD2 HIS A 108 -11.266 12.328 -29.254 1.00 55.03 H new ATOM 0 HE1 HIS A 108 -13.315 15.502 -27.324 1.00 13.02 H new ATOM 0 HE2 HIS A 108 -11.290 14.883 -28.737 1.00 22.10 H new ATOM 1811 N GLU A 109 -15.880 9.071 -27.703 1.00 43.44 N ATOM 1812 CA GLU A 109 -16.579 7.806 -27.894 1.00 51.23 C ATOM 1813 C GLU A 109 -15.738 6.840 -28.724 1.00 35.34 C ATOM 1814 O GLU A 109 -15.386 7.131 -29.866 1.00 74.11 O ATOM 1815 CB GLU A 109 -17.928 8.042 -28.577 1.00 61.44 C ATOM 1816 CG GLU A 109 -19.041 8.416 -27.613 1.00 51.45 C ATOM 1817 CD GLU A 109 -20.419 8.274 -28.230 1.00 52.21 C ATOM 1818 OE1 GLU A 109 -20.767 9.096 -29.104 1.00 4.04 O ATOM 1819 OE2 GLU A 109 -21.150 7.340 -27.839 1.00 10.24 O ATOM 0 H GLU A 109 -16.194 9.823 -28.316 1.00 43.44 H new ATOM 0 HA GLU A 109 -16.749 7.362 -26.913 1.00 51.23 H new ATOM 0 HB2 GLU A 109 -17.817 8.835 -29.316 1.00 61.44 H new ATOM 0 HB3 GLU A 109 -18.215 7.140 -29.118 1.00 61.44 H new ATOM 0 HG2 GLU A 109 -18.977 7.784 -26.727 1.00 51.45 H new ATOM 0 HG3 GLU A 109 -18.899 9.445 -27.282 1.00 51.45 H new ATOM 1826 N GLU A 110 -15.421 5.689 -28.139 1.00 3.04 N ATOM 1827 CA GLU A 110 -14.620 4.680 -28.823 1.00 13.40 C ATOM 1828 C GLU A 110 -14.235 3.553 -27.870 1.00 23.14 C ATOM 1829 O GLU A 110 -14.759 3.457 -26.760 1.00 13.12 O ATOM 1830 CB GLU A 110 -13.361 5.314 -29.417 1.00 64.21 C ATOM 1831 CG GLU A 110 -13.258 5.164 -30.926 1.00 4.33 C ATOM 1832 CD GLU A 110 -12.923 6.470 -31.620 1.00 4.11 C ATOM 1833 OE1 GLU A 110 -11.980 7.156 -31.172 1.00 13.10 O ATOM 1834 OE2 GLU A 110 -13.603 6.806 -32.612 1.00 33.42 O ATOM 0 H GLU A 110 -15.706 5.432 -27.194 1.00 3.04 H new ATOM 0 HA GLU A 110 -15.222 4.260 -29.629 1.00 13.40 H new ATOM 0 HB2 GLU A 110 -13.344 6.374 -29.164 1.00 64.21 H new ATOM 0 HB3 GLU A 110 -12.484 4.862 -28.955 1.00 64.21 H new ATOM 0 HG2 GLU A 110 -12.493 4.424 -31.163 1.00 4.33 H new ATOM 0 HG3 GLU A 110 -14.202 4.782 -31.315 1.00 4.33 H new ATOM 1841 N TYR A 111 -13.315 2.702 -28.311 1.00 35.31 N ATOM 1842 CA TYR A 111 -12.861 1.579 -27.499 1.00 72.22 C ATOM 1843 C TYR A 111 -11.376 1.707 -27.174 1.00 13.53 C ATOM 1844 O TYR A 111 -10.537 1.040 -27.778 1.00 44.01 O ATOM 1845 CB TYR A 111 -13.123 0.258 -28.226 1.00 1.43 C ATOM 1846 CG TYR A 111 -12.820 0.312 -29.706 1.00 75.42 C ATOM 1847 CD1 TYR A 111 -13.765 0.779 -30.612 1.00 32.13 C ATOM 1848 CD2 TYR A 111 -11.591 -0.106 -30.200 1.00 21.33 C ATOM 1849 CE1 TYR A 111 -13.494 0.829 -31.965 1.00 62.34 C ATOM 1850 CE2 TYR A 111 -11.310 -0.059 -31.551 1.00 51.34 C ATOM 1851 CZ TYR A 111 -12.265 0.409 -32.430 1.00 43.32 C ATOM 1852 OH TYR A 111 -11.989 0.457 -33.778 1.00 35.14 O ATOM 0 H TYR A 111 -12.869 2.768 -29.226 1.00 35.31 H new ATOM 0 HA TYR A 111 -13.421 1.589 -26.564 1.00 72.22 H new ATOM 0 HB2 TYR A 111 -12.519 -0.525 -27.768 1.00 1.43 H new ATOM 0 HB3 TYR A 111 -14.167 -0.023 -28.087 1.00 1.43 H new ATOM 0 HD1 TYR A 111 -14.728 1.109 -30.251 1.00 32.13 H new ATOM 0 HD2 TYR A 111 -10.842 -0.474 -29.515 1.00 21.33 H new ATOM 0 HE1 TYR A 111 -14.240 1.195 -32.655 1.00 62.34 H new ATOM 0 HE2 TYR A 111 -10.348 -0.387 -31.918 1.00 51.34 H new ATOM 0 HH TYR A 111 -11.080 0.127 -33.938 1.00 35.14 H new ATOM 1862 N ASP A 112 -11.060 2.570 -26.214 1.00 35.10 N ATOM 1863 CA ASP A 112 -9.677 2.786 -25.805 1.00 55.31 C ATOM 1864 C ASP A 112 -9.475 2.397 -24.344 1.00 75.11 C ATOM 1865 O ASP A 112 -8.883 1.360 -24.043 1.00 62.10 O ATOM 1866 CB ASP A 112 -9.284 4.249 -26.015 1.00 52.40 C ATOM 1867 CG ASP A 112 -8.874 4.539 -27.445 1.00 50.15 C ATOM 1868 OD1 ASP A 112 -7.759 4.134 -27.837 1.00 73.01 O ATOM 1869 OD2 ASP A 112 -9.668 5.170 -28.174 1.00 10.34 O ATOM 0 H ASP A 112 -11.743 3.131 -25.705 1.00 35.10 H new ATOM 0 HA ASP A 112 -9.038 2.154 -26.422 1.00 55.31 H new ATOM 0 HB2 ASP A 112 -10.123 4.890 -25.744 1.00 52.40 H new ATOM 0 HB3 ASP A 112 -8.461 4.501 -25.346 1.00 52.40 H new ATOM 1874 N LEU A 113 -9.971 3.235 -23.440 1.00 64.10 N ATOM 1875 CA LEU A 113 -9.844 2.979 -22.009 1.00 42.24 C ATOM 1876 C LEU A 113 -10.463 1.635 -21.639 1.00 43.15 C ATOM 1877 O LEU A 113 -10.905 0.884 -22.509 1.00 11.21 O ATOM 1878 CB LEU A 113 -10.513 4.099 -21.210 1.00 23.20 C ATOM 1879 CG LEU A 113 -11.940 4.458 -21.624 1.00 12.43 C ATOM 1880 CD1 LEU A 113 -12.808 4.695 -20.397 1.00 61.34 C ATOM 1881 CD2 LEU A 113 -11.941 5.685 -22.525 1.00 34.15 C ATOM 0 H LEU A 113 -10.464 4.097 -23.672 1.00 64.10 H new ATOM 0 HA LEU A 113 -8.783 2.949 -21.763 1.00 42.24 H new ATOM 0 HB2 LEU A 113 -10.522 3.812 -20.158 1.00 23.20 H new ATOM 0 HB3 LEU A 113 -9.896 4.994 -21.291 1.00 23.20 H new ATOM 0 HG LEU A 113 -12.357 3.621 -22.183 1.00 12.43 H new ATOM 0 HD11 LEU A 113 -13.820 4.949 -20.711 1.00 61.34 H new ATOM 0 HD12 LEU A 113 -12.833 3.791 -19.789 1.00 61.34 H new ATOM 0 HD13 LEU A 113 -12.393 5.515 -19.811 1.00 61.34 H new ATOM 0 HD21 LEU A 113 -12.965 5.926 -22.810 1.00 34.15 H new ATOM 0 HD22 LEU A 113 -11.505 6.529 -21.991 1.00 34.15 H new ATOM 0 HD23 LEU A 113 -11.354 5.480 -23.420 1.00 34.15 H new ATOM 1893 N TRP A 114 -10.492 1.340 -20.345 1.00 70.41 N ATOM 1894 CA TRP A 114 -11.059 0.086 -19.860 1.00 52.40 C ATOM 1895 C TRP A 114 -12.534 -0.024 -20.232 1.00 44.12 C ATOM 1896 O TRP A 114 -13.000 -1.085 -20.646 1.00 11.24 O ATOM 1897 CB TRP A 114 -10.894 -0.018 -18.343 1.00 71.50 C ATOM 1898 CG TRP A 114 -9.501 -0.376 -17.920 1.00 52.34 C ATOM 1899 CD1 TRP A 114 -8.719 0.295 -17.024 1.00 52.31 C ATOM 1900 CD2 TRP A 114 -8.725 -1.488 -18.379 1.00 35.44 C ATOM 1901 NE1 TRP A 114 -7.504 -0.333 -16.898 1.00 21.44 N ATOM 1902 CE2 TRP A 114 -7.483 -1.431 -17.717 1.00 50.43 C ATOM 1903 CE3 TRP A 114 -8.960 -2.529 -19.281 1.00 70.03 C ATOM 1904 CZ2 TRP A 114 -6.481 -2.373 -17.933 1.00 1.22 C ATOM 1905 CZ3 TRP A 114 -7.964 -3.463 -19.494 1.00 73.23 C ATOM 1906 CH2 TRP A 114 -6.738 -3.381 -18.822 1.00 44.20 C ATOM 0 H TRP A 114 -10.130 1.951 -19.613 1.00 70.41 H new ATOM 0 HA TRP A 114 -10.522 -0.735 -20.334 1.00 52.40 H new ATOM 0 HB2 TRP A 114 -11.171 0.933 -17.889 1.00 71.50 H new ATOM 0 HB3 TRP A 114 -11.586 -0.768 -17.960 1.00 71.50 H new ATOM 0 HD1 TRP A 114 -9.013 1.188 -16.493 1.00 52.31 H new ATOM 0 HE1 TRP A 114 -6.741 -0.031 -16.293 1.00 21.44 H new ATOM 0 HE3 TRP A 114 -9.903 -2.602 -19.802 1.00 70.03 H new ATOM 0 HZ2 TRP A 114 -5.534 -2.310 -17.417 1.00 1.22 H new ATOM 0 HZ3 TRP A 114 -8.134 -4.270 -20.191 1.00 73.23 H new ATOM 0 HH2 TRP A 114 -5.981 -4.128 -19.009 1.00 44.20 H new ATOM 1917 N GLU A 115 -13.262 1.078 -20.083 1.00 5.42 N ATOM 1918 CA GLU A 115 -14.684 1.103 -20.403 1.00 42.14 C ATOM 1919 C GLU A 115 -15.400 -0.100 -19.795 1.00 44.42 C ATOM 1920 O GLU A 115 -15.847 -0.996 -20.511 1.00 33.05 O ATOM 1921 CB GLU A 115 -14.887 1.118 -21.920 1.00 13.21 C ATOM 1922 CG GLU A 115 -14.940 2.516 -22.513 1.00 12.10 C ATOM 1923 CD GLU A 115 -16.162 2.734 -23.385 1.00 3.13 C ATOM 1924 OE1 GLU A 115 -16.648 1.750 -23.980 1.00 34.34 O ATOM 1925 OE2 GLU A 115 -16.631 3.888 -23.472 1.00 44.02 O ATOM 0 H GLU A 115 -12.890 1.965 -19.743 1.00 5.42 H new ATOM 0 HA GLU A 115 -15.111 2.011 -19.977 1.00 42.14 H new ATOM 0 HB2 GLU A 115 -14.077 0.563 -22.392 1.00 13.21 H new ATOM 0 HB3 GLU A 115 -15.813 0.596 -22.159 1.00 13.21 H new ATOM 0 HG2 GLU A 115 -14.938 3.249 -21.706 1.00 12.10 H new ATOM 0 HG3 GLU A 115 -14.041 2.690 -23.104 1.00 12.10 H new ATOM 1932 N ASP A 116 -15.503 -0.111 -18.471 1.00 24.42 N ATOM 1933 CA ASP A 116 -16.164 -1.203 -17.765 1.00 40.11 C ATOM 1934 C ASP A 116 -16.129 -0.975 -16.257 1.00 64.31 C ATOM 1935 O ASP A 116 -17.162 -0.877 -15.595 1.00 60.10 O ATOM 1936 CB ASP A 116 -15.499 -2.537 -18.108 1.00 32.02 C ATOM 1937 CG ASP A 116 -15.518 -3.509 -16.944 1.00 44.33 C ATOM 1938 OD1 ASP A 116 -16.601 -3.711 -16.358 1.00 73.31 O ATOM 1939 OD2 ASP A 116 -14.448 -4.066 -16.619 1.00 50.02 O ATOM 0 H ASP A 116 -15.138 0.623 -17.865 1.00 24.42 H new ATOM 0 HA ASP A 116 -17.205 -1.233 -18.085 1.00 40.11 H new ATOM 0 HB2 ASP A 116 -16.009 -2.985 -18.961 1.00 32.02 H new ATOM 0 HB3 ASP A 116 -14.468 -2.358 -18.412 1.00 32.02 H new ATOM 1944 N PRO A 117 -14.912 -0.890 -15.700 1.00 23.45 N ATOM 1945 CA PRO A 117 -14.712 -0.674 -14.263 1.00 73.14 C ATOM 1946 C PRO A 117 -15.118 0.729 -13.827 1.00 1.53 C ATOM 1947 O PRO A 117 -15.863 0.898 -12.861 1.00 22.12 O ATOM 1948 CB PRO A 117 -13.206 -0.877 -14.080 1.00 12.11 C ATOM 1949 CG PRO A 117 -12.617 -0.564 -15.412 1.00 22.20 C ATOM 1950 CD PRO A 117 -13.637 -0.998 -16.428 1.00 64.32 C ATOM 0 HA PRO A 117 -15.322 -1.347 -13.660 1.00 73.14 H new ATOM 0 HB2 PRO A 117 -12.809 -0.219 -13.307 1.00 12.11 H new ATOM 0 HB3 PRO A 117 -12.978 -1.899 -13.777 1.00 12.11 H new ATOM 0 HG2 PRO A 117 -12.403 0.501 -15.504 1.00 22.20 H new ATOM 0 HG3 PRO A 117 -11.674 -1.092 -15.556 1.00 22.20 H new ATOM 0 HD2 PRO A 117 -13.623 -0.358 -17.310 1.00 64.32 H new ATOM 0 HD3 PRO A 117 -13.455 -2.017 -16.770 1.00 64.32 H new ATOM 1958 N ILE A 118 -14.624 1.733 -14.544 1.00 11.11 N ATOM 1959 CA ILE A 118 -14.937 3.122 -14.231 1.00 31.35 C ATOM 1960 C ILE A 118 -16.327 3.499 -14.732 1.00 30.41 C ATOM 1961 O ILE A 118 -16.875 4.534 -14.354 1.00 4.15 O ATOM 1962 CB ILE A 118 -13.904 4.084 -14.845 1.00 4.31 C ATOM 1963 CG1 ILE A 118 -14.209 4.317 -16.326 1.00 2.41 C ATOM 1964 CG2 ILE A 118 -12.497 3.533 -14.669 1.00 5.33 C ATOM 1965 CD1 ILE A 118 -14.081 3.071 -17.173 1.00 23.42 C ATOM 0 H ILE A 118 -14.005 1.610 -15.346 1.00 11.11 H new ATOM 0 HA ILE A 118 -14.907 3.215 -13.145 1.00 31.35 H new ATOM 0 HB ILE A 118 -13.966 5.040 -14.326 1.00 4.31 H new ATOM 0 HG12 ILE A 118 -15.221 4.710 -16.423 1.00 2.41 H new ATOM 0 HG13 ILE A 118 -13.533 5.080 -16.712 1.00 2.41 H new ATOM 0 HG21 ILE A 118 -11.778 4.224 -15.108 1.00 5.33 H new ATOM 0 HG22 ILE A 118 -12.283 3.413 -13.607 1.00 5.33 H new ATOM 0 HG23 ILE A 118 -12.420 2.566 -15.166 1.00 5.33 H new ATOM 0 HD11 ILE A 118 -14.312 3.311 -18.211 1.00 23.42 H new ATOM 0 HD12 ILE A 118 -13.062 2.689 -17.107 1.00 23.42 H new ATOM 0 HD13 ILE A 118 -14.777 2.313 -16.813 1.00 23.42 H new ATOM 1977 N TRP A 119 -16.892 2.651 -15.583 1.00 74.25 N ATOM 1978 CA TRP A 119 -18.220 2.894 -16.136 1.00 33.04 C ATOM 1979 C TRP A 119 -19.303 2.353 -15.208 1.00 61.34 C ATOM 1980 O TRP A 119 -20.435 2.834 -15.216 1.00 14.11 O ATOM 1981 CB TRP A 119 -18.346 2.250 -17.517 1.00 54.34 C ATOM 1982 CG TRP A 119 -19.414 2.871 -18.367 1.00 2.22 C ATOM 1983 CD1 TRP A 119 -20.762 2.683 -18.256 1.00 41.03 C ATOM 1984 CD2 TRP A 119 -19.221 3.779 -19.457 1.00 74.33 C ATOM 1985 NE1 TRP A 119 -21.419 3.419 -19.213 1.00 32.14 N ATOM 1986 CE2 TRP A 119 -20.497 4.101 -19.961 1.00 63.54 C ATOM 1987 CE3 TRP A 119 -18.096 4.352 -20.056 1.00 13.34 C ATOM 1988 CZ2 TRP A 119 -20.675 4.969 -21.035 1.00 70.43 C ATOM 1989 CZ3 TRP A 119 -18.275 5.214 -21.121 1.00 60.55 C ATOM 1990 CH2 TRP A 119 -19.556 5.516 -21.602 1.00 71.30 C ATOM 0 H TRP A 119 -16.452 1.789 -15.905 1.00 74.25 H new ATOM 0 HA TRP A 119 -18.355 3.971 -16.232 1.00 33.04 H new ATOM 0 HB2 TRP A 119 -17.390 2.327 -18.034 1.00 54.34 H new ATOM 0 HB3 TRP A 119 -18.559 1.188 -17.397 1.00 54.34 H new ATOM 0 HD1 TRP A 119 -21.241 2.049 -17.524 1.00 41.03 H new ATOM 0 HE1 TRP A 119 -22.430 3.452 -19.345 1.00 32.14 H new ATOM 0 HE3 TRP A 119 -17.104 4.125 -19.693 1.00 13.34 H new ATOM 0 HZ2 TRP A 119 -21.661 5.202 -21.408 1.00 70.43 H new ATOM 0 HZ3 TRP A 119 -17.412 5.663 -21.591 1.00 60.55 H new ATOM 0 HH2 TRP A 119 -19.662 6.194 -22.436 1.00 71.30 H new ATOM 2001 N GLN A 120 -18.947 1.350 -14.412 1.00 2.34 N ATOM 2002 CA GLN A 120 -19.890 0.744 -13.479 1.00 42.40 C ATOM 2003 C GLN A 120 -19.884 1.481 -12.144 1.00 15.23 C ATOM 2004 O GLN A 120 -20.811 2.230 -11.833 1.00 32.33 O ATOM 2005 CB GLN A 120 -19.549 -0.731 -13.262 1.00 44.13 C ATOM 2006 CG GLN A 120 -20.149 -1.655 -14.310 1.00 11.52 C ATOM 2007 CD GLN A 120 -21.594 -2.007 -14.018 1.00 14.44 C ATOM 2008 OE1 GLN A 120 -21.878 -2.933 -13.257 1.00 53.24 O ATOM 2009 NE2 GLN A 120 -22.518 -1.268 -14.621 1.00 43.44 N ATOM 0 H GLN A 120 -18.013 0.940 -14.394 1.00 2.34 H new ATOM 0 HA GLN A 120 -20.888 0.819 -13.910 1.00 42.40 H new ATOM 0 HB2 GLN A 120 -18.465 -0.849 -13.263 1.00 44.13 H new ATOM 0 HB3 GLN A 120 -19.901 -1.036 -12.277 1.00 44.13 H new ATOM 0 HG2 GLN A 120 -20.086 -1.178 -15.288 1.00 11.52 H new ATOM 0 HG3 GLN A 120 -19.559 -2.570 -14.362 1.00 11.52 H new ATOM 0 HE21 GLN A 120 -22.238 -0.510 -15.244 1.00 43.44 H new ATOM 0 HE22 GLN A 120 -23.507 -1.458 -14.461 1.00 43.44 H new ATOM 2018 N TYR A 121 -18.836 1.264 -11.358 1.00 64.02 N ATOM 2019 CA TYR A 121 -18.711 1.905 -10.055 1.00 11.33 C ATOM 2020 C TYR A 121 -17.247 2.168 -9.714 1.00 53.13 C ATOM 2021 O TYR A 121 -16.348 1.819 -10.480 1.00 33.42 O ATOM 2022 CB TYR A 121 -19.350 1.034 -8.971 1.00 43.44 C ATOM 2023 CG TYR A 121 -20.827 1.293 -8.779 1.00 40.22 C ATOM 2024 CD1 TYR A 121 -21.271 2.291 -7.920 1.00 33.53 C ATOM 2025 CD2 TYR A 121 -21.778 0.540 -9.456 1.00 53.21 C ATOM 2026 CE1 TYR A 121 -22.620 2.530 -7.740 1.00 40.33 C ATOM 2027 CE2 TYR A 121 -23.129 0.774 -9.284 1.00 61.10 C ATOM 2028 CZ TYR A 121 -23.545 1.770 -8.425 1.00 23.30 C ATOM 2029 OH TYR A 121 -24.889 2.005 -8.250 1.00 32.32 O ATOM 0 H TYR A 121 -18.060 0.648 -11.601 1.00 64.02 H new ATOM 0 HA TYR A 121 -19.232 2.861 -10.098 1.00 11.33 H new ATOM 0 HB2 TYR A 121 -19.204 -0.015 -9.227 1.00 43.44 H new ATOM 0 HB3 TYR A 121 -18.834 1.207 -8.027 1.00 43.44 H new ATOM 0 HD1 TYR A 121 -20.550 2.890 -7.384 1.00 33.53 H new ATOM 0 HD2 TYR A 121 -21.456 -0.242 -10.128 1.00 53.21 H new ATOM 0 HE1 TYR A 121 -22.948 3.308 -7.066 1.00 40.33 H new ATOM 0 HE2 TYR A 121 -23.855 0.180 -9.819 1.00 61.10 H new ATOM 0 HH TYR A 121 -25.405 1.384 -8.806 1.00 32.32 H new ATOM 2039 N ILE A 122 -17.017 2.785 -8.561 1.00 3.54 N ATOM 2040 CA ILE A 122 -15.663 3.094 -8.117 1.00 61.11 C ATOM 2041 C ILE A 122 -14.779 1.852 -8.145 1.00 61.30 C ATOM 2042 O ILE A 122 -13.578 1.925 -7.884 1.00 50.11 O ATOM 2043 CB ILE A 122 -15.657 3.682 -6.694 1.00 11.41 C ATOM 2044 CG1 ILE A 122 -16.271 2.689 -5.705 1.00 41.12 C ATOM 2045 CG2 ILE A 122 -16.412 5.003 -6.664 1.00 2.02 C ATOM 2046 CD1 ILE A 122 -16.166 3.130 -4.262 1.00 53.11 C ATOM 0 H ILE A 122 -17.750 3.081 -7.917 1.00 3.54 H new ATOM 0 HA ILE A 122 -15.266 3.836 -8.809 1.00 61.11 H new ATOM 0 HB ILE A 122 -14.625 3.869 -6.398 1.00 11.41 H new ATOM 0 HG12 ILE A 122 -17.321 2.541 -5.956 1.00 41.12 H new ATOM 0 HG13 ILE A 122 -15.778 1.724 -5.818 1.00 41.12 H new ATOM 0 HG21 ILE A 122 -16.399 5.406 -5.652 1.00 2.02 H new ATOM 0 HG22 ILE A 122 -15.935 5.710 -7.343 1.00 2.02 H new ATOM 0 HG23 ILE A 122 -17.443 4.840 -6.976 1.00 2.02 H new ATOM 0 HD11 ILE A 122 -16.622 2.378 -3.618 1.00 53.11 H new ATOM 0 HD12 ILE A 122 -15.116 3.250 -3.994 1.00 53.11 H new ATOM 0 HD13 ILE A 122 -16.684 4.080 -4.133 1.00 53.11 H new