USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 983 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 83 MET CE :methyl -134:sc= -0.107 (180deg=0) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 175:sc= -3.35 (180deg=-3.42) USER MOD Set 2.1: A 62 HIS : no HE2:sc= -1.66 K(o=-12,f=-4.1!) USER MOD Set 2.2: A 70 TYR OH : rot 125:sc= 0.0334 USER MOD Set 2.3: A 71 GLN : amide:sc= -10.8! K(o=-12!,f=-3) USER MOD Set 3.1: A 35 THR OG1 : rot -60:sc= -1.66! USER MOD Set 3.2: A 38 GLN : amide:sc= -11.3! C(o=-12!,f=-10!) USER MOD Set 3.3: A 44 SER OG : rot 45:sc= 0.931 USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= 0.453 (180deg=-0.0949) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= -0.211 (180deg=-1.39!) USER MOD Single : A 12 SER OG : rot -54:sc= 1.16 USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0.0116 (180deg=0.00812) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -120:sc= -1.1 (180deg=-2.95!) USER MOD Single : A 30 TYR OH : rot 100:sc= -0.247 USER MOD Single : A 40 ASN : amide:sc= -0.372 K(o=-0.37,f=-1.7!) USER MOD Single : A 49 ASN : amide:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.431! USER MOD Single : A 55 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.057) USER MOD Single : A 56 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.1!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 101:sc= 0.452 USER MOD Single : A 69 ASN : amide:sc= -1.62! C(o=-1.6!,f=-0.29!) USER MOD Single : A 73 THR OG1 : rot 60:sc= 1.23 USER MOD Single : A 74 ASN : amide:sc= -1.56! C(o=-1.6!,f=-8.9!) USER MOD Single : A 76 LYS NZ :NH3+ -133:sc= -2.54! (180deg=-5.24!) USER MOD Single : A 79 LYS NZ :NH3+ -164:sc= -0.0123 (180deg=-0.328) USER MOD Single : A 80 LYS NZ :NH3+ -148:sc= -0.224 (180deg=-1.17) USER MOD Single : A 82 SER OG : rot 50:sc= -2.55! USER MOD Single : A 85 TYR OH : rot 96:sc= 0.0975 USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -0.17 (180deg=-0.791) USER MOD Single : A 90 ASN : amide:sc= -0.878 K(o=-0.88,f=-1.4) USER MOD Single : A 92 THR OG1 : rot 21:sc= 0.167 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -149:sc= -2.37 (180deg=-5.69!) USER MOD Single : A 98 THR OG1 : rot -76:sc= -0.881 USER MOD Single : A 99 SER OG : rot 46:sc= 1.06 USER MOD Single : A 119 LYS NZ :NH3+ -176:sc= -0.778 (180deg=-0.852) USER MOD Single : A 120 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.1) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0762 USER MOD Single : A 125 THR OG1 : rot 151:sc=-0.00322 USER MOD Single : A 126 CYS SG : rot -88:sc= 0.0501 USER MOD Single : A 129 TYR OH : rot 145:sc= -2.22! USER MOD Single : A 130 ASN : amide:sc= -3.58! C(o=-3.6!,f=-23!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -155:sc= -0.988 (180deg=-1.61) USER MOD Single : A 140 LYS NZ :NH3+ -160:sc= -0.054 (180deg=-0.541) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 7 12.357 11.366 1.402 1.00 0.00 N ATOM 101 CA ILE A 7 10.870 11.254 1.303 1.00 0.00 C ATOM 102 C ILE A 7 10.265 12.672 1.280 1.00 0.00 C ATOM 103 O ILE A 7 10.156 13.305 2.310 1.00 0.00 O ATOM 104 CB ILE A 7 10.314 10.513 2.529 1.00 0.00 C ATOM 105 CG1 ILE A 7 11.142 9.256 2.812 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.863 10.113 2.252 1.00 0.00 C ATOM 107 CD1 ILE A 7 10.502 8.476 3.966 1.00 0.00 C ATOM 0 HA ILE A 7 10.613 10.707 0.396 1.00 0.00 H new ATOM 0 HB ILE A 7 10.364 11.169 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.193 8.632 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.165 9.531 3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.459 9.586 3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.269 11.007 2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.826 9.460 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.089 7.581 4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.474 9.103 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.487 8.189 3.692 1.00 0.00 H new ATOM 119 N PRO A 8 9.874 13.182 0.130 1.00 0.00 N ATOM 120 CA PRO A 8 9.283 14.551 0.035 1.00 0.00 C ATOM 121 C PRO A 8 8.262 14.820 1.148 1.00 0.00 C ATOM 122 O PRO A 8 7.442 13.983 1.467 1.00 0.00 O ATOM 123 CB PRO A 8 8.616 14.551 -1.342 1.00 0.00 C ATOM 124 CG PRO A 8 9.454 13.623 -2.161 1.00 0.00 C ATOM 125 CD PRO A 8 9.940 12.533 -1.197 1.00 0.00 C ATOM 0 HA PRO A 8 10.031 15.336 0.152 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.583 14.207 -1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.594 15.552 -1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.875 13.192 -2.978 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.295 14.150 -2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.306 11.648 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.954 12.211 -1.435 1.00 0.00 H new ATOM 133 N LYS A 9 8.312 15.980 1.748 1.00 0.00 N ATOM 134 CA LYS A 9 7.353 16.301 2.846 1.00 0.00 C ATOM 135 C LYS A 9 6.069 16.893 2.259 1.00 0.00 C ATOM 136 O LYS A 9 5.002 16.761 2.824 1.00 0.00 O ATOM 137 CB LYS A 9 7.991 17.319 3.795 1.00 0.00 C ATOM 138 CG LYS A 9 8.280 18.616 3.039 1.00 0.00 C ATOM 139 CD LYS A 9 9.143 19.532 3.910 1.00 0.00 C ATOM 140 CE LYS A 9 9.164 20.939 3.308 1.00 0.00 C ATOM 141 NZ LYS A 9 7.854 21.604 3.556 1.00 0.00 N ATOM 0 H LYS A 9 8.977 16.721 1.525 1.00 0.00 H new ATOM 0 HA LYS A 9 7.112 15.388 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.324 17.517 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.914 16.915 4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.793 18.397 2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.346 19.115 2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.747 19.565 4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.157 19.138 3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.970 21.524 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.360 20.885 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.982 22.636 3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.181 21.333 2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.484 21.307 4.482 1.00 0.00 H new ATOM 155 N ASP A 10 6.162 17.547 1.134 1.00 0.00 N ATOM 156 CA ASP A 10 4.943 18.148 0.521 1.00 0.00 C ATOM 157 C ASP A 10 4.112 17.057 -0.157 1.00 0.00 C ATOM 158 O ASP A 10 4.521 16.471 -1.140 1.00 0.00 O ATOM 159 CB ASP A 10 5.356 19.193 -0.518 1.00 0.00 C ATOM 160 CG ASP A 10 6.458 20.083 0.060 1.00 0.00 C ATOM 161 OD1 ASP A 10 6.286 20.560 1.171 1.00 0.00 O ATOM 162 OD2 ASP A 10 7.455 20.274 -0.616 1.00 0.00 O ATOM 0 H ASP A 10 7.027 17.691 0.613 1.00 0.00 H new ATOM 0 HA ASP A 10 4.347 18.623 1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.710 18.700 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.496 19.799 -0.801 1.00 0.00 H new ATOM 167 N LYS A 11 2.945 16.786 0.357 1.00 0.00 N ATOM 168 CA LYS A 11 2.082 15.741 -0.255 1.00 0.00 C ATOM 169 C LYS A 11 1.800 16.098 -1.715 1.00 0.00 C ATOM 170 O LYS A 11 1.292 15.298 -2.474 1.00 0.00 O ATOM 171 CB LYS A 11 0.762 15.672 0.513 1.00 0.00 C ATOM 172 CG LYS A 11 1.038 15.468 2.022 1.00 0.00 C ATOM 173 CD LYS A 11 -0.044 14.572 2.631 1.00 0.00 C ATOM 174 CE LYS A 11 -0.036 14.707 4.157 1.00 0.00 C ATOM 175 NZ LYS A 11 -0.255 16.133 4.533 1.00 0.00 N ATOM 0 H LYS A 11 2.551 17.246 1.178 1.00 0.00 H new ATOM 0 HA LYS A 11 2.588 14.777 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.194 16.590 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.153 14.852 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.020 15.016 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.054 16.431 2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.022 14.850 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.130 13.534 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.816 14.082 4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.915 14.356 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.771 16.179 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.663 16.610 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.810 16.606 3.792 1.00 0.00 H new ATOM 189 N SER A 12 2.121 17.299 -2.112 1.00 0.00 N ATOM 190 CA SER A 12 1.865 17.712 -3.522 1.00 0.00 C ATOM 191 C SER A 12 2.965 17.163 -4.430 1.00 0.00 C ATOM 192 O SER A 12 3.187 17.659 -5.518 1.00 0.00 O ATOM 193 CB SER A 12 1.850 19.237 -3.610 1.00 0.00 C ATOM 194 OG SER A 12 1.680 19.627 -4.966 1.00 0.00 O ATOM 0 H SER A 12 2.549 18.012 -1.522 1.00 0.00 H new ATOM 0 HA SER A 12 0.901 17.316 -3.843 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.042 19.640 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.781 19.645 -3.216 1.00 0.00 H new ATOM 0 HG SER A 12 2.366 19.197 -5.518 1.00 0.00 H new ATOM 200 N LYS A 13 3.659 16.141 -4.000 1.00 0.00 N ATOM 201 CA LYS A 13 4.744 15.564 -4.849 1.00 0.00 C ATOM 202 C LYS A 13 4.842 14.057 -4.605 1.00 0.00 C ATOM 203 O LYS A 13 4.794 13.593 -3.483 1.00 0.00 O ATOM 204 CB LYS A 13 6.079 16.229 -4.495 1.00 0.00 C ATOM 205 CG LYS A 13 6.123 17.644 -5.085 1.00 0.00 C ATOM 206 CD LYS A 13 7.512 18.267 -4.871 1.00 0.00 C ATOM 207 CE LYS A 13 7.623 18.836 -3.453 1.00 0.00 C ATOM 208 NZ LYS A 13 8.936 19.520 -3.297 1.00 0.00 N ATOM 0 H LYS A 13 3.522 15.682 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 13 4.516 15.745 -5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.199 16.272 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.906 15.636 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.893 17.609 -6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.361 18.266 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.285 17.515 -5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.681 19.057 -5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.810 19.538 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.528 18.035 -2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.960 20.022 -2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.700 18.815 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.067 20.202 -4.072 1.00 0.00 H new ATOM 222 N VAL A 14 4.976 13.295 -5.654 1.00 0.00 N ATOM 223 CA VAL A 14 5.072 11.816 -5.501 1.00 0.00 C ATOM 224 C VAL A 14 6.287 11.451 -4.651 1.00 0.00 C ATOM 225 O VAL A 14 7.204 12.230 -4.480 1.00 0.00 O ATOM 226 CB VAL A 14 5.225 11.170 -6.881 1.00 0.00 C ATOM 227 CG1 VAL A 14 5.321 9.648 -6.729 1.00 0.00 C ATOM 228 CG2 VAL A 14 4.014 11.527 -7.751 1.00 0.00 C ATOM 0 H VAL A 14 5.023 13.634 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 14 4.166 11.455 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 14 6.133 11.541 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.430 9.190 -7.712 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.186 9.398 -6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.416 9.272 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.123 11.067 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.104 11.159 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.952 12.610 -7.862 1.00 0.00 H new ATOM 238 N ALA A 15 6.300 10.253 -4.131 1.00 0.00 N ATOM 239 CA ALA A 15 7.449 9.783 -3.299 1.00 0.00 C ATOM 240 C ALA A 15 7.799 8.353 -3.722 1.00 0.00 C ATOM 241 O ALA A 15 8.808 7.805 -3.326 1.00 0.00 O ATOM 242 CB ALA A 15 7.054 9.803 -1.819 1.00 0.00 C ATOM 0 H ALA A 15 5.552 9.569 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 15 8.310 10.436 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.893 9.460 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.788 10.819 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.200 9.144 -1.661 1.00 0.00 H new ATOM 248 N GLY A 16 6.969 7.750 -4.534 1.00 0.00 N ATOM 249 CA GLY A 16 7.240 6.363 -5.000 1.00 0.00 C ATOM 250 C GLY A 16 6.222 5.994 -6.080 1.00 0.00 C ATOM 251 O GLY A 16 5.378 6.790 -6.443 1.00 0.00 O ATOM 0 H GLY A 16 6.110 8.165 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.253 6.290 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.173 5.665 -4.165 1.00 0.00 H new ATOM 255 N TYR A 17 6.289 4.798 -6.604 1.00 0.00 N ATOM 256 CA TYR A 17 5.318 4.392 -7.664 1.00 0.00 C ATOM 257 C TYR A 17 5.076 2.881 -7.573 1.00 0.00 C ATOM 258 O TYR A 17 5.983 2.086 -7.714 1.00 0.00 O ATOM 259 CB TYR A 17 5.902 4.756 -9.053 1.00 0.00 C ATOM 260 CG TYR A 17 5.183 5.954 -9.645 1.00 0.00 C ATOM 261 CD1 TYR A 17 3.917 5.793 -10.223 1.00 0.00 C ATOM 262 CD2 TYR A 17 5.785 7.219 -9.622 1.00 0.00 C ATOM 263 CE1 TYR A 17 3.255 6.895 -10.776 1.00 0.00 C ATOM 264 CE2 TYR A 17 5.121 8.321 -10.175 1.00 0.00 C ATOM 265 CZ TYR A 17 3.856 8.158 -10.753 1.00 0.00 C ATOM 266 OH TYR A 17 3.203 9.245 -11.298 1.00 0.00 O ATOM 0 H TYR A 17 6.972 4.086 -6.345 1.00 0.00 H new ATOM 0 HA TYR A 17 4.371 4.914 -7.526 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.966 4.975 -8.959 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.811 3.903 -9.725 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.452 4.818 -10.242 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.761 7.344 -9.178 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.279 6.770 -11.221 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.584 9.296 -10.156 1.00 0.00 H new ATOM 0 HH TYR A 17 3.760 10.045 -11.197 1.00 0.00 H new ATOM 276 N ILE A 18 3.849 2.486 -7.351 1.00 0.00 N ATOM 277 CA ILE A 18 3.531 1.031 -7.264 1.00 0.00 C ATOM 278 C ILE A 18 3.011 0.569 -8.624 1.00 0.00 C ATOM 279 O ILE A 18 2.273 1.276 -9.281 1.00 0.00 O ATOM 280 CB ILE A 18 2.457 0.805 -6.198 1.00 0.00 C ATOM 281 CG1 ILE A 18 2.106 -0.684 -6.135 1.00 0.00 C ATOM 282 CG2 ILE A 18 1.204 1.608 -6.552 1.00 0.00 C ATOM 283 CD1 ILE A 18 1.315 -0.969 -4.857 1.00 0.00 C ATOM 0 H ILE A 18 3.052 3.111 -7.226 1.00 0.00 H new ATOM 0 HA ILE A 18 4.423 0.466 -6.993 1.00 0.00 H new ATOM 0 HB ILE A 18 2.835 1.132 -5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.520 -0.967 -7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.016 -1.284 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.441 1.445 -5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.452 2.669 -6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.825 1.283 -7.521 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.065 -2.029 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.917 -0.701 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.398 -0.380 -4.858 1.00 0.00 H new ATOM 295 N GLU A 19 3.390 -0.603 -9.062 1.00 0.00 N ATOM 296 CA GLU A 19 2.915 -1.088 -10.392 1.00 0.00 C ATOM 297 C GLU A 19 2.730 -2.606 -10.362 1.00 0.00 C ATOM 298 O GLU A 19 3.532 -3.334 -9.812 1.00 0.00 O ATOM 299 CB GLU A 19 3.945 -0.725 -11.467 1.00 0.00 C ATOM 300 CG GLU A 19 4.440 0.707 -11.251 1.00 0.00 C ATOM 301 CD GLU A 19 5.370 1.103 -12.399 1.00 0.00 C ATOM 302 OE1 GLU A 19 5.883 0.211 -13.055 1.00 0.00 O ATOM 303 OE2 GLU A 19 5.554 2.291 -12.603 1.00 0.00 O ATOM 0 H GLU A 19 4.005 -1.243 -8.559 1.00 0.00 H new ATOM 0 HA GLU A 19 1.960 -0.615 -10.621 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.785 -1.419 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.499 -0.820 -12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.594 1.392 -11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.967 0.782 -10.300 1.00 0.00 H new ATOM 310 N ILE A 20 1.672 -3.083 -10.965 1.00 0.00 N ATOM 311 CA ILE A 20 1.401 -4.550 -11.000 1.00 0.00 C ATOM 312 C ILE A 20 0.716 -4.879 -12.341 1.00 0.00 C ATOM 313 O ILE A 20 -0.275 -4.265 -12.682 1.00 0.00 O ATOM 314 CB ILE A 20 0.462 -4.919 -9.844 1.00 0.00 C ATOM 315 CG1 ILE A 20 1.041 -4.383 -8.533 1.00 0.00 C ATOM 316 CG2 ILE A 20 0.311 -6.444 -9.765 1.00 0.00 C ATOM 317 CD1 ILE A 20 0.311 -4.999 -7.334 1.00 0.00 C ATOM 0 H ILE A 20 0.975 -2.510 -11.441 1.00 0.00 H new ATOM 0 HA ILE A 20 2.330 -5.112 -10.901 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.519 -4.476 -10.014 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.105 -4.614 -8.477 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.949 -3.297 -8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.357 -6.701 -8.943 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.105 -6.817 -10.701 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.287 -6.898 -9.595 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.735 -4.607 -6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.748 -4.746 -7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.426 -6.083 -7.355 1.00 0.00 H new ATOM 329 N PRO A 21 1.217 -5.828 -13.106 1.00 0.00 N ATOM 330 CA PRO A 21 0.600 -6.188 -14.415 1.00 0.00 C ATOM 331 C PRO A 21 -0.667 -7.029 -14.232 1.00 0.00 C ATOM 332 O PRO A 21 -1.674 -6.805 -14.874 1.00 0.00 O ATOM 333 CB PRO A 21 1.698 -6.992 -15.119 1.00 0.00 C ATOM 334 CG PRO A 21 2.460 -7.639 -14.008 1.00 0.00 C ATOM 335 CD PRO A 21 2.407 -6.661 -12.827 1.00 0.00 C ATOM 0 HA PRO A 21 0.281 -5.313 -14.981 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.274 -7.735 -15.795 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.341 -6.346 -15.718 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.017 -8.598 -13.739 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.490 -7.835 -14.305 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.312 -7.187 -11.877 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.312 -6.057 -12.768 1.00 0.00 H new ATOM 343 N ASP A 22 -0.621 -7.997 -13.361 1.00 0.00 N ATOM 344 CA ASP A 22 -1.817 -8.852 -13.135 1.00 0.00 C ATOM 345 C ASP A 22 -3.042 -7.972 -12.872 1.00 0.00 C ATOM 346 O ASP A 22 -4.166 -8.423 -12.973 1.00 0.00 O ATOM 347 CB ASP A 22 -1.572 -9.767 -11.934 1.00 0.00 C ATOM 348 CG ASP A 22 -0.361 -10.662 -12.211 1.00 0.00 C ATOM 349 OD1 ASP A 22 0.697 -10.123 -12.493 1.00 0.00 O ATOM 350 OD2 ASP A 22 -0.513 -11.869 -12.138 1.00 0.00 O ATOM 0 H ASP A 22 0.194 -8.233 -12.795 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.998 -9.459 -14.022 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.399 -9.170 -11.038 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.454 -10.379 -11.744 1.00 0.00 H new ATOM 355 N ALA A 23 -2.840 -6.719 -12.531 1.00 0.00 N ATOM 356 CA ALA A 23 -3.999 -5.808 -12.258 1.00 0.00 C ATOM 357 C ALA A 23 -3.770 -4.466 -12.967 1.00 0.00 C ATOM 358 O ALA A 23 -4.397 -3.479 -12.647 1.00 0.00 O ATOM 359 CB ALA A 23 -4.122 -5.591 -10.739 1.00 0.00 C ATOM 0 H ALA A 23 -1.921 -6.288 -12.430 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.920 -6.254 -12.633 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.963 -4.929 -10.533 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.285 -6.550 -10.247 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.205 -5.140 -10.360 1.00 0.00 H new ATOM 365 N ASP A 24 -2.878 -4.430 -13.925 1.00 0.00 N ATOM 366 CA ASP A 24 -2.599 -3.160 -14.667 1.00 0.00 C ATOM 367 C ASP A 24 -2.533 -1.988 -13.687 1.00 0.00 C ATOM 368 O ASP A 24 -3.139 -0.954 -13.887 1.00 0.00 O ATOM 369 CB ASP A 24 -3.697 -2.911 -15.708 1.00 0.00 C ATOM 370 CG ASP A 24 -5.030 -2.633 -15.011 1.00 0.00 C ATOM 371 OD1 ASP A 24 -5.291 -1.480 -14.711 1.00 0.00 O ATOM 372 OD2 ASP A 24 -5.769 -3.579 -14.791 1.00 0.00 O ATOM 0 H ASP A 24 -2.326 -5.232 -14.228 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.640 -3.250 -15.178 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.425 -2.065 -16.340 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.793 -3.779 -16.361 1.00 0.00 H new ATOM 377 N ILE A 25 -1.794 -2.151 -12.626 1.00 0.00 N ATOM 378 CA ILE A 25 -1.669 -1.063 -11.611 1.00 0.00 C ATOM 379 C ILE A 25 -0.510 -0.145 -11.987 1.00 0.00 C ATOM 380 O ILE A 25 0.523 -0.581 -12.452 1.00 0.00 O ATOM 381 CB ILE A 25 -1.390 -1.699 -10.252 1.00 0.00 C ATOM 382 CG1 ILE A 25 -2.495 -2.713 -9.923 1.00 0.00 C ATOM 383 CG2 ILE A 25 -1.316 -0.633 -9.163 1.00 0.00 C ATOM 384 CD1 ILE A 25 -3.875 -2.037 -9.888 1.00 0.00 C ATOM 0 H ILE A 25 -1.266 -2.998 -12.415 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.589 -0.480 -11.573 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.429 -2.211 -10.294 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.496 -3.509 -10.668 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.290 -3.178 -8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.116 -1.108 -8.202 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.515 0.069 -9.395 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.264 -0.097 -9.113 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.638 -2.779 -9.653 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.879 -1.258 -9.126 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.088 -1.594 -10.861 1.00 0.00 H new ATOM 396 N LYS A 26 -0.681 1.128 -11.784 1.00 0.00 N ATOM 397 CA LYS A 26 0.399 2.097 -12.112 1.00 0.00 C ATOM 398 C LYS A 26 0.021 3.444 -11.500 1.00 0.00 C ATOM 399 O LYS A 26 -0.549 4.292 -12.160 1.00 0.00 O ATOM 400 CB LYS A 26 0.536 2.232 -13.635 1.00 0.00 C ATOM 401 CG LYS A 26 -0.849 2.196 -14.287 1.00 0.00 C ATOM 402 CD LYS A 26 -0.714 2.404 -15.802 1.00 0.00 C ATOM 403 CE LYS A 26 -0.165 3.810 -16.109 1.00 0.00 C ATOM 404 NZ LYS A 26 1.323 3.757 -16.176 1.00 0.00 N ATOM 0 H LYS A 26 -1.530 1.544 -11.401 1.00 0.00 H new ATOM 0 HA LYS A 26 1.353 1.753 -11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.040 3.166 -13.882 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.153 1.423 -14.027 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.333 1.241 -14.083 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.483 2.972 -13.859 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.049 1.649 -16.220 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.685 2.274 -16.280 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.570 4.172 -17.054 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.480 4.512 -15.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.726 4.390 -15.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.644 2.784 -16.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.639 4.061 -17.119 1.00 0.00 H new ATOM 418 N GLU A 27 0.294 3.641 -10.236 1.00 0.00 N ATOM 419 CA GLU A 27 -0.096 4.924 -9.581 1.00 0.00 C ATOM 420 C GLU A 27 0.980 5.363 -8.565 1.00 0.00 C ATOM 421 O GLU A 27 1.727 4.549 -8.059 1.00 0.00 O ATOM 422 CB GLU A 27 -1.421 4.676 -8.845 1.00 0.00 C ATOM 423 CG GLU A 27 -2.606 4.941 -9.779 1.00 0.00 C ATOM 424 CD GLU A 27 -2.715 6.440 -10.058 1.00 0.00 C ATOM 425 OE1 GLU A 27 -3.133 7.161 -9.167 1.00 0.00 O ATOM 426 OE2 GLU A 27 -2.378 6.843 -11.160 1.00 0.00 O ATOM 0 H GLU A 27 0.769 2.971 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.198 5.712 -10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.457 3.648 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.486 5.324 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.474 4.396 -10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.528 4.577 -9.325 1.00 0.00 H new ATOM 433 N PRO A 28 1.042 6.645 -8.256 1.00 0.00 N ATOM 434 CA PRO A 28 2.022 7.196 -7.271 1.00 0.00 C ATOM 435 C PRO A 28 1.533 7.057 -5.823 1.00 0.00 C ATOM 436 O PRO A 28 0.372 6.807 -5.575 1.00 0.00 O ATOM 437 CB PRO A 28 2.089 8.671 -7.656 1.00 0.00 C ATOM 438 CG PRO A 28 0.699 8.987 -8.096 1.00 0.00 C ATOM 439 CD PRO A 28 0.195 7.727 -8.813 1.00 0.00 C ATOM 0 HA PRO A 28 2.978 6.674 -7.304 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.392 9.291 -6.813 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.810 8.844 -8.455 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.065 9.233 -7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.686 9.849 -8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.862 7.550 -8.616 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.309 7.809 -9.894 1.00 0.00 H new ATOM 447 N VAL A 29 2.416 7.237 -4.873 1.00 0.00 N ATOM 448 CA VAL A 29 2.032 7.139 -3.427 1.00 0.00 C ATOM 449 C VAL A 29 2.487 8.415 -2.701 1.00 0.00 C ATOM 450 O VAL A 29 3.664 8.633 -2.496 1.00 0.00 O ATOM 451 CB VAL A 29 2.730 5.918 -2.804 1.00 0.00 C ATOM 452 CG1 VAL A 29 1.918 4.651 -3.093 1.00 0.00 C ATOM 453 CG2 VAL A 29 4.136 5.769 -3.404 1.00 0.00 C ATOM 0 H VAL A 29 3.400 7.450 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 29 0.952 7.030 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 29 2.805 6.060 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.417 3.790 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.921 4.752 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.838 4.508 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.630 4.904 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.059 5.631 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.718 6.666 -3.194 1.00 0.00 H new ATOM 463 N TYR A 30 1.571 9.263 -2.305 1.00 0.00 N ATOM 464 CA TYR A 30 1.988 10.508 -1.594 1.00 0.00 C ATOM 465 C TYR A 30 2.612 10.130 -0.243 1.00 0.00 C ATOM 466 O TYR A 30 2.114 9.257 0.439 1.00 0.00 O ATOM 467 CB TYR A 30 0.772 11.398 -1.317 1.00 0.00 C ATOM 468 CG TYR A 30 -0.035 11.607 -2.579 1.00 0.00 C ATOM 469 CD1 TYR A 30 0.560 12.198 -3.700 1.00 0.00 C ATOM 470 CD2 TYR A 30 -1.382 11.224 -2.621 1.00 0.00 C ATOM 471 CE1 TYR A 30 -0.192 12.408 -4.862 1.00 0.00 C ATOM 472 CE2 TYR A 30 -2.134 11.431 -3.779 1.00 0.00 C ATOM 473 CZ TYR A 30 -1.540 12.023 -4.903 1.00 0.00 C ATOM 474 OH TYR A 30 -2.282 12.229 -6.048 1.00 0.00 O ATOM 0 H TYR A 30 0.567 9.149 -2.441 1.00 0.00 H new ATOM 0 HA TYR A 30 2.702 11.043 -2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.146 10.940 -0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.101 12.361 -0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.599 12.492 -3.668 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.840 10.768 -1.756 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.266 12.866 -5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.172 11.135 -3.809 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.341 11.392 -6.554 1.00 0.00 H new ATOM 484 N PRO A 31 3.678 10.780 0.166 1.00 0.00 N ATOM 485 CA PRO A 31 4.322 10.486 1.474 1.00 0.00 C ATOM 486 C PRO A 31 3.561 11.123 2.642 1.00 0.00 C ATOM 487 O PRO A 31 3.566 12.327 2.811 1.00 0.00 O ATOM 488 CB PRO A 31 5.703 11.114 1.321 1.00 0.00 C ATOM 489 CG PRO A 31 5.466 12.296 0.448 1.00 0.00 C ATOM 490 CD PRO A 31 4.401 11.851 -0.553 1.00 0.00 C ATOM 0 HA PRO A 31 4.347 9.420 1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.117 11.407 2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.410 10.419 0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.126 13.153 1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.381 12.599 -0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.737 12.672 -0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.847 11.484 -1.477 1.00 0.00 H new ATOM 498 N GLY A 32 2.905 10.332 3.447 1.00 0.00 N ATOM 499 CA GLY A 32 2.151 10.914 4.590 1.00 0.00 C ATOM 500 C GLY A 32 1.154 9.893 5.137 1.00 0.00 C ATOM 501 O GLY A 32 1.121 8.756 4.710 1.00 0.00 O ATOM 0 H GLY A 32 2.859 9.317 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.843 11.215 5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.624 11.812 4.268 1.00 0.00 H new ATOM 505 N PRO A 33 0.339 10.304 6.077 1.00 0.00 N ATOM 506 CA PRO A 33 -0.687 9.418 6.692 1.00 0.00 C ATOM 507 C PRO A 33 -1.883 9.238 5.760 1.00 0.00 C ATOM 508 O PRO A 33 -2.594 10.174 5.464 1.00 0.00 O ATOM 509 CB PRO A 33 -1.080 10.161 7.974 1.00 0.00 C ATOM 510 CG PRO A 33 -0.853 11.608 7.665 1.00 0.00 C ATOM 511 CD PRO A 33 0.304 11.660 6.654 1.00 0.00 C ATOM 0 HA PRO A 33 -0.320 8.411 6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.121 9.972 8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.473 9.838 8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.753 12.062 7.249 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.604 12.164 8.569 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.130 12.415 5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.247 11.911 7.140 1.00 0.00 H new ATOM 519 N ALA A 34 -2.085 8.045 5.280 1.00 0.00 N ATOM 520 CA ALA A 34 -3.215 7.796 4.337 1.00 0.00 C ATOM 521 C ALA A 34 -4.498 8.473 4.822 1.00 0.00 C ATOM 522 O ALA A 34 -5.309 7.879 5.504 1.00 0.00 O ATOM 523 CB ALA A 34 -3.460 6.297 4.209 1.00 0.00 C ATOM 0 H ALA A 34 -1.516 7.227 5.499 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.943 8.215 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.286 6.121 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.561 5.812 3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.709 5.884 5.187 1.00 0.00 H new ATOM 529 N THR A 35 -4.695 9.703 4.446 1.00 0.00 N ATOM 530 CA THR A 35 -5.934 10.441 4.838 1.00 0.00 C ATOM 531 C THR A 35 -6.889 10.405 3.629 1.00 0.00 C ATOM 532 O THR A 35 -6.500 10.004 2.552 1.00 0.00 O ATOM 533 CB THR A 35 -5.536 11.897 5.197 1.00 0.00 C ATOM 534 OG1 THR A 35 -4.176 12.097 4.845 1.00 0.00 O ATOM 535 CG2 THR A 35 -5.698 12.149 6.704 1.00 0.00 C ATOM 0 H THR A 35 -4.042 10.240 3.875 1.00 0.00 H new ATOM 0 HA THR A 35 -6.427 9.995 5.702 1.00 0.00 H new ATOM 0 HB THR A 35 -6.183 12.585 4.653 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.613 11.468 5.343 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.414 13.176 6.934 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.737 11.988 6.990 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.058 11.463 7.259 1.00 0.00 H new ATOM 543 N PRO A 36 -8.128 10.801 3.789 1.00 0.00 N ATOM 544 CA PRO A 36 -9.103 10.789 2.664 1.00 0.00 C ATOM 545 C PRO A 36 -8.948 12.008 1.741 1.00 0.00 C ATOM 546 O PRO A 36 -9.259 11.951 0.568 1.00 0.00 O ATOM 547 CB PRO A 36 -10.461 10.799 3.374 1.00 0.00 C ATOM 548 CG PRO A 36 -10.218 11.523 4.664 1.00 0.00 C ATOM 549 CD PRO A 36 -8.742 11.287 5.039 1.00 0.00 C ATOM 0 HA PRO A 36 -8.964 9.931 2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.217 11.305 2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.821 9.786 3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.423 12.588 4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.879 11.151 5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.267 12.205 5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.646 10.555 5.841 1.00 0.00 H new ATOM 557 N GLU A 37 -8.467 13.109 2.256 1.00 0.00 N ATOM 558 CA GLU A 37 -8.294 14.318 1.400 1.00 0.00 C ATOM 559 C GLU A 37 -7.197 14.059 0.363 1.00 0.00 C ATOM 560 O GLU A 37 -7.250 14.545 -0.749 1.00 0.00 O ATOM 561 CB GLU A 37 -7.916 15.520 2.275 1.00 0.00 C ATOM 562 CG GLU A 37 -6.479 15.367 2.784 1.00 0.00 C ATOM 563 CD GLU A 37 -6.239 16.329 3.949 1.00 0.00 C ATOM 564 OE1 GLU A 37 -6.652 17.472 3.841 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.648 15.907 4.930 1.00 0.00 O ATOM 0 H GLU A 37 -8.187 13.223 3.230 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.229 14.535 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.011 16.442 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.603 15.597 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.304 14.340 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.774 15.573 1.979 1.00 0.00 H new ATOM 572 N GLN A 38 -6.201 13.295 0.726 1.00 0.00 N ATOM 573 CA GLN A 38 -5.089 12.998 -0.225 1.00 0.00 C ATOM 574 C GLN A 38 -5.432 11.740 -1.024 1.00 0.00 C ATOM 575 O GLN A 38 -5.372 11.726 -2.237 1.00 0.00 O ATOM 576 CB GLN A 38 -3.780 12.776 0.562 1.00 0.00 C ATOM 577 CG GLN A 38 -4.079 12.186 1.956 1.00 0.00 C ATOM 578 CD GLN A 38 -2.934 11.265 2.379 1.00 0.00 C ATOM 579 OE1 GLN A 38 -2.388 11.402 3.455 1.00 0.00 O ATOM 580 NE2 GLN A 38 -2.546 10.328 1.561 1.00 0.00 N ATOM 0 H GLN A 38 -6.109 12.862 1.645 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.957 13.837 -0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.126 12.102 0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.248 13.721 0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.201 12.989 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.017 11.631 1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.007 10.216 0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.781 9.706 1.824 1.00 0.00 H new ATOM 589 N LEU A 39 -5.784 10.681 -0.354 1.00 0.00 N ATOM 590 CA LEU A 39 -6.124 9.422 -1.068 1.00 0.00 C ATOM 591 C LEU A 39 -7.072 9.734 -2.230 1.00 0.00 C ATOM 592 O LEU A 39 -7.065 9.066 -3.245 1.00 0.00 O ATOM 593 CB LEU A 39 -6.810 8.458 -0.091 1.00 0.00 C ATOM 594 CG LEU A 39 -5.774 7.679 0.740 1.00 0.00 C ATOM 595 CD1 LEU A 39 -6.509 6.803 1.777 1.00 0.00 C ATOM 596 CD2 LEU A 39 -4.897 6.792 -0.178 1.00 0.00 C ATOM 0 H LEU A 39 -5.851 10.633 0.663 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.215 8.964 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.468 9.017 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.436 7.759 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.124 8.387 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.779 6.249 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.102 7.438 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.165 6.102 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.171 6.249 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.530 6.082 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.372 7.420 -0.898 1.00 0.00 H new ATOM 608 N ASN A 40 -7.878 10.743 -2.092 1.00 0.00 N ATOM 609 CA ASN A 40 -8.813 11.093 -3.190 1.00 0.00 C ATOM 610 C ASN A 40 -7.987 11.536 -4.395 1.00 0.00 C ATOM 611 O ASN A 40 -8.397 11.407 -5.531 1.00 0.00 O ATOM 612 CB ASN A 40 -9.719 12.245 -2.730 1.00 0.00 C ATOM 613 CG ASN A 40 -10.987 11.693 -2.068 1.00 0.00 C ATOM 614 OD1 ASN A 40 -11.486 10.654 -2.451 1.00 0.00 O ATOM 615 ND2 ASN A 40 -11.531 12.353 -1.084 1.00 0.00 N ATOM 0 H ASN A 40 -7.930 11.341 -1.267 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.432 10.236 -3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.181 12.881 -2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.988 12.868 -3.583 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.375 11.997 -0.636 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.112 13.226 -0.762 1.00 0.00 H new ATOM 622 N ARG A 41 -6.820 12.051 -4.144 1.00 0.00 N ATOM 623 CA ARG A 41 -5.947 12.501 -5.260 1.00 0.00 C ATOM 624 C ARG A 41 -5.164 11.301 -5.784 1.00 0.00 C ATOM 625 O ARG A 41 -4.666 11.310 -6.893 1.00 0.00 O ATOM 626 CB ARG A 41 -4.978 13.573 -4.752 1.00 0.00 C ATOM 627 CG ARG A 41 -5.733 14.894 -4.554 1.00 0.00 C ATOM 628 CD ARG A 41 -4.933 15.810 -3.625 1.00 0.00 C ATOM 629 NE ARG A 41 -5.561 17.161 -3.594 1.00 0.00 N ATOM 630 CZ ARG A 41 -5.238 18.007 -2.655 1.00 0.00 C ATOM 631 NH1 ARG A 41 -4.362 17.672 -1.748 1.00 0.00 N ATOM 632 NH2 ARG A 41 -5.792 19.190 -2.624 1.00 0.00 N ATOM 0 H ARG A 41 -6.431 12.181 -3.210 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.553 12.923 -6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.528 13.255 -3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.165 13.710 -5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.890 15.382 -5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.719 14.701 -4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.902 15.389 -2.620 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.902 15.885 -3.971 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.242 17.424 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.930 16.749 -1.773 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.110 18.334 -1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.476 19.451 -3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.540 19.852 -1.890 1.00 0.00 H new ATOM 646 N GLY A 42 -5.055 10.260 -5.000 1.00 0.00 N ATOM 647 CA GLY A 42 -4.303 9.061 -5.477 1.00 0.00 C ATOM 648 C GLY A 42 -4.055 8.082 -4.325 1.00 0.00 C ATOM 649 O GLY A 42 -4.904 7.859 -3.487 1.00 0.00 O ATOM 0 H GLY A 42 -5.449 10.187 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.865 8.564 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.351 9.371 -5.909 1.00 0.00 H new ATOM 653 N VAL A 43 -2.889 7.488 -4.298 1.00 0.00 N ATOM 654 CA VAL A 43 -2.541 6.502 -3.225 1.00 0.00 C ATOM 655 C VAL A 43 -1.528 7.150 -2.266 1.00 0.00 C ATOM 656 O VAL A 43 -0.932 8.161 -2.577 1.00 0.00 O ATOM 657 CB VAL A 43 -1.911 5.261 -3.886 1.00 0.00 C ATOM 658 CG1 VAL A 43 -1.947 4.061 -2.938 1.00 0.00 C ATOM 659 CG2 VAL A 43 -2.672 4.907 -5.166 1.00 0.00 C ATOM 0 H VAL A 43 -2.151 7.646 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.432 6.210 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.873 5.496 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.497 3.197 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.389 4.296 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.981 3.833 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.220 4.029 -5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.713 4.694 -4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.625 5.746 -5.861 1.00 0.00 H new ATOM 669 N SER A 44 -1.328 6.581 -1.105 1.00 0.00 N ATOM 670 CA SER A 44 -0.351 7.167 -0.138 1.00 0.00 C ATOM 671 C SER A 44 -0.001 6.119 0.921 1.00 0.00 C ATOM 672 O SER A 44 -0.750 5.191 1.150 1.00 0.00 O ATOM 673 CB SER A 44 -0.971 8.384 0.541 1.00 0.00 C ATOM 674 OG SER A 44 -0.016 8.974 1.414 1.00 0.00 O ATOM 0 H SER A 44 -1.799 5.735 -0.784 1.00 0.00 H new ATOM 0 HA SER A 44 0.551 7.470 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.292 9.108 -0.208 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.859 8.089 1.101 1.00 0.00 H new ATOM 0 HG SER A 44 0.851 9.032 0.960 1.00 0.00 H new ATOM 680 N PHE A 45 1.127 6.247 1.574 1.00 0.00 N ATOM 681 CA PHE A 45 1.484 5.234 2.609 1.00 0.00 C ATOM 682 C PHE A 45 0.410 5.215 3.688 1.00 0.00 C ATOM 683 O PHE A 45 -0.360 6.142 3.831 1.00 0.00 O ATOM 684 CB PHE A 45 2.823 5.565 3.275 1.00 0.00 C ATOM 685 CG PHE A 45 3.976 5.433 2.293 1.00 0.00 C ATOM 686 CD1 PHE A 45 4.184 4.237 1.585 1.00 0.00 C ATOM 687 CD2 PHE A 45 4.842 6.514 2.096 1.00 0.00 C ATOM 688 CE1 PHE A 45 5.252 4.134 0.686 1.00 0.00 C ATOM 689 CE2 PHE A 45 5.907 6.409 1.196 1.00 0.00 C ATOM 690 CZ PHE A 45 6.112 5.221 0.491 1.00 0.00 C ATOM 0 H PHE A 45 1.805 6.997 1.438 1.00 0.00 H new ATOM 0 HA PHE A 45 1.561 4.265 2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.794 6.580 3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.985 4.898 4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.520 3.398 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.687 7.433 2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.413 3.215 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.571 7.247 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.934 5.141 -0.205 1.00 0.00 H new ATOM 700 N ALA A 46 0.363 4.166 4.461 1.00 0.00 N ATOM 701 CA ALA A 46 -0.652 4.082 5.549 1.00 0.00 C ATOM 702 C ALA A 46 -0.100 4.762 6.805 1.00 0.00 C ATOM 703 O ALA A 46 -0.709 4.730 7.856 1.00 0.00 O ATOM 704 CB ALA A 46 -0.963 2.611 5.851 1.00 0.00 C ATOM 0 H ALA A 46 0.985 3.361 4.386 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.568 4.583 5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.705 2.552 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.354 2.130 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.051 2.104 6.167 1.00 0.00 H new ATOM 710 N GLU A 47 1.052 5.371 6.710 1.00 0.00 N ATOM 711 CA GLU A 47 1.630 6.039 7.912 1.00 0.00 C ATOM 712 C GLU A 47 2.722 7.036 7.506 1.00 0.00 C ATOM 713 O GLU A 47 3.490 6.808 6.594 1.00 0.00 O ATOM 714 CB GLU A 47 2.222 4.977 8.833 1.00 0.00 C ATOM 715 CG GLU A 47 3.387 4.287 8.125 1.00 0.00 C ATOM 716 CD GLU A 47 3.810 3.049 8.918 1.00 0.00 C ATOM 717 OE1 GLU A 47 3.293 2.865 10.009 1.00 0.00 O ATOM 718 OE2 GLU A 47 4.642 2.307 8.423 1.00 0.00 O ATOM 0 H GLU A 47 1.613 5.435 5.861 1.00 0.00 H new ATOM 0 HA GLU A 47 0.841 6.586 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.565 5.434 9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.460 4.246 9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.094 4.001 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.227 4.975 8.030 1.00 0.00 H new ATOM 725 N GLU A 48 2.777 8.148 8.185 1.00 0.00 N ATOM 726 CA GLU A 48 3.793 9.201 7.874 1.00 0.00 C ATOM 727 C GLU A 48 5.223 8.688 8.098 1.00 0.00 C ATOM 728 O GLU A 48 6.168 9.222 7.552 1.00 0.00 O ATOM 729 CB GLU A 48 3.556 10.400 8.793 1.00 0.00 C ATOM 730 CG GLU A 48 3.838 9.996 10.243 1.00 0.00 C ATOM 731 CD GLU A 48 3.282 11.062 11.188 1.00 0.00 C ATOM 732 OE1 GLU A 48 3.453 12.234 10.895 1.00 0.00 O ATOM 733 OE2 GLU A 48 2.694 10.689 12.190 1.00 0.00 O ATOM 0 H GLU A 48 2.151 8.378 8.957 1.00 0.00 H new ATOM 0 HA GLU A 48 3.686 9.480 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.203 11.228 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.528 10.749 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.381 9.030 10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.911 9.882 10.398 1.00 0.00 H new ATOM 740 N ASN A 49 5.401 7.690 8.922 1.00 0.00 N ATOM 741 CA ASN A 49 6.784 7.189 9.203 1.00 0.00 C ATOM 742 C ASN A 49 7.200 6.138 8.170 1.00 0.00 C ATOM 743 O ASN A 49 8.257 5.547 8.268 1.00 0.00 O ATOM 744 CB ASN A 49 6.811 6.567 10.602 1.00 0.00 C ATOM 745 CG ASN A 49 6.793 7.676 11.656 1.00 0.00 C ATOM 746 OD1 ASN A 49 5.861 7.781 12.429 1.00 0.00 O ATOM 747 ND2 ASN A 49 7.791 8.514 11.720 1.00 0.00 N ATOM 0 H ASN A 49 4.653 7.200 9.413 1.00 0.00 H new ATOM 0 HA ASN A 49 7.483 8.024 9.146 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.952 5.910 10.736 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.703 5.953 10.721 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.789 9.257 12.419 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.573 8.426 11.071 1.00 0.00 H new ATOM 754 N GLU A 50 6.389 5.903 7.182 1.00 0.00 N ATOM 755 CA GLU A 50 6.751 4.893 6.147 1.00 0.00 C ATOM 756 C GLU A 50 8.023 5.343 5.418 1.00 0.00 C ATOM 757 O GLU A 50 8.359 6.509 5.384 1.00 0.00 O ATOM 758 CB GLU A 50 5.577 4.759 5.157 1.00 0.00 C ATOM 759 CG GLU A 50 5.496 3.329 4.604 1.00 0.00 C ATOM 760 CD GLU A 50 6.747 3.017 3.786 1.00 0.00 C ATOM 761 OE1 GLU A 50 6.823 3.466 2.656 1.00 0.00 O ATOM 762 OE2 GLU A 50 7.615 2.337 4.308 1.00 0.00 O ATOM 0 H GLU A 50 5.490 6.365 7.043 1.00 0.00 H new ATOM 0 HA GLU A 50 6.943 3.925 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.642 5.015 5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.704 5.465 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.400 2.617 5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.608 3.220 3.982 1.00 0.00 H new ATOM 769 N SER A 51 8.725 4.412 4.832 1.00 0.00 N ATOM 770 CA SER A 51 9.975 4.734 4.093 1.00 0.00 C ATOM 771 C SER A 51 10.071 3.814 2.874 1.00 0.00 C ATOM 772 O SER A 51 9.214 2.984 2.643 1.00 0.00 O ATOM 773 CB SER A 51 11.180 4.502 5.013 1.00 0.00 C ATOM 774 OG SER A 51 12.275 4.019 4.248 1.00 0.00 O ATOM 0 H SER A 51 8.478 3.422 4.836 1.00 0.00 H new ATOM 0 HA SER A 51 9.966 5.775 3.771 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.454 5.431 5.513 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.923 3.785 5.793 1.00 0.00 H new ATOM 0 HG SER A 51 13.045 3.872 4.836 1.00 0.00 H new ATOM 780 N LEU A 52 11.103 3.954 2.091 1.00 0.00 N ATOM 781 CA LEU A 52 11.257 3.099 0.896 1.00 0.00 C ATOM 782 C LEU A 52 11.897 1.778 1.312 1.00 0.00 C ATOM 783 O LEU A 52 12.206 0.941 0.486 1.00 0.00 O ATOM 784 CB LEU A 52 12.168 3.809 -0.111 1.00 0.00 C ATOM 785 CG LEU A 52 11.785 5.301 -0.241 1.00 0.00 C ATOM 786 CD1 LEU A 52 10.265 5.445 -0.404 1.00 0.00 C ATOM 787 CD2 LEU A 52 12.266 6.125 0.980 1.00 0.00 C ATOM 0 H LEU A 52 11.851 4.633 2.234 1.00 0.00 H new ATOM 0 HA LEU A 52 10.284 2.911 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.207 3.722 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.091 3.323 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 52 12.284 5.694 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.007 6.500 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.943 4.915 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.764 5.023 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.978 7.168 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.808 5.732 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.351 6.056 1.061 1.00 0.00 H new ATOM 799 N ASP A 53 12.112 1.585 2.589 1.00 0.00 N ATOM 800 CA ASP A 53 12.749 0.318 3.053 1.00 0.00 C ATOM 801 C ASP A 53 12.189 -0.096 4.416 1.00 0.00 C ATOM 802 O ASP A 53 12.761 -0.925 5.096 1.00 0.00 O ATOM 803 CB ASP A 53 14.260 0.526 3.173 1.00 0.00 C ATOM 804 CG ASP A 53 14.788 1.190 1.901 1.00 0.00 C ATOM 805 OD1 ASP A 53 14.538 2.372 1.726 1.00 0.00 O ATOM 806 OD2 ASP A 53 15.432 0.507 1.123 1.00 0.00 O ATOM 0 H ASP A 53 11.875 2.248 3.327 1.00 0.00 H new ATOM 0 HA ASP A 53 12.535 -0.468 2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.484 1.148 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.758 -0.431 3.330 1.00 0.00 H new ATOM 811 N ASP A 54 11.079 0.455 4.830 1.00 0.00 N ATOM 812 CA ASP A 54 10.522 0.051 6.150 1.00 0.00 C ATOM 813 C ASP A 54 10.272 -1.459 6.138 1.00 0.00 C ATOM 814 O ASP A 54 9.458 -1.954 5.384 1.00 0.00 O ATOM 815 CB ASP A 54 9.203 0.787 6.400 1.00 0.00 C ATOM 816 CG ASP A 54 8.734 0.520 7.831 1.00 0.00 C ATOM 817 OD1 ASP A 54 8.346 -0.603 8.107 1.00 0.00 O ATOM 818 OD2 ASP A 54 8.771 1.444 8.628 1.00 0.00 O ATOM 0 H ASP A 54 10.542 1.156 4.319 1.00 0.00 H new ATOM 0 HA ASP A 54 11.227 0.305 6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.336 1.857 6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.447 0.452 5.690 1.00 0.00 H new ATOM 823 N GLN A 55 10.977 -2.197 6.958 1.00 0.00 N ATOM 824 CA GLN A 55 10.791 -3.682 6.992 1.00 0.00 C ATOM 825 C GLN A 55 9.300 -4.022 6.954 1.00 0.00 C ATOM 826 O GLN A 55 8.913 -5.125 6.624 1.00 0.00 O ATOM 827 CB GLN A 55 11.400 -4.244 8.278 1.00 0.00 C ATOM 828 CG GLN A 55 10.908 -3.428 9.487 1.00 0.00 C ATOM 829 CD GLN A 55 10.963 -4.292 10.747 1.00 0.00 C ATOM 830 OE1 GLN A 55 11.555 -3.910 11.738 1.00 0.00 O ATOM 831 NE2 GLN A 55 10.365 -5.452 10.749 1.00 0.00 N ATOM 0 H GLN A 55 11.675 -1.835 7.607 1.00 0.00 H new ATOM 0 HA GLN A 55 11.285 -4.122 6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.121 -5.291 8.396 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.488 -4.209 8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.527 -2.540 9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.888 -3.083 9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.869 -5.771 9.917 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.394 -6.039 11.582 1.00 0.00 H new ATOM 840 N ASN A 56 8.464 -3.075 7.288 1.00 0.00 N ATOM 841 CA ASN A 56 6.989 -3.316 7.275 1.00 0.00 C ATOM 842 C ASN A 56 6.306 -2.123 6.609 1.00 0.00 C ATOM 843 O ASN A 56 6.060 -1.110 7.232 1.00 0.00 O ATOM 844 CB ASN A 56 6.483 -3.463 8.713 1.00 0.00 C ATOM 845 CG ASN A 56 5.080 -4.077 8.703 1.00 0.00 C ATOM 846 OD1 ASN A 56 4.183 -3.560 8.066 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.852 -5.164 9.387 1.00 0.00 N ATOM 0 H ASN A 56 8.742 -2.136 7.572 1.00 0.00 H new ATOM 0 HA ASN A 56 6.763 -4.229 6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.163 -4.094 9.286 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.462 -2.490 9.203 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.921 -5.580 9.387 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.605 -5.598 9.921 1.00 0.00 H new ATOM 854 N ILE A 57 6.000 -2.233 5.344 1.00 0.00 N ATOM 855 CA ILE A 57 5.338 -1.101 4.632 1.00 0.00 C ATOM 856 C ILE A 57 3.829 -1.310 4.645 1.00 0.00 C ATOM 857 O ILE A 57 3.342 -2.423 4.669 1.00 0.00 O ATOM 858 CB ILE A 57 5.817 -1.048 3.180 1.00 0.00 C ATOM 859 CG1 ILE A 57 7.335 -0.844 3.153 1.00 0.00 C ATOM 860 CG2 ILE A 57 5.123 0.115 2.457 1.00 0.00 C ATOM 861 CD1 ILE A 57 7.850 -0.943 1.716 1.00 0.00 C ATOM 0 H ILE A 57 6.180 -3.058 4.772 1.00 0.00 H new ATOM 0 HA ILE A 57 5.591 -0.167 5.134 1.00 0.00 H new ATOM 0 HB ILE A 57 5.570 -1.983 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.587 0.130 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.822 -1.595 3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.463 0.155 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.044 -0.035 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.369 1.052 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.930 -0.797 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.613 -1.927 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.374 -0.176 1.105 1.00 0.00 H new ATOM 873 N SER A 58 3.085 -0.242 4.615 1.00 0.00 N ATOM 874 CA SER A 58 1.601 -0.354 4.612 1.00 0.00 C ATOM 875 C SER A 58 1.041 0.751 3.723 1.00 0.00 C ATOM 876 O SER A 58 1.227 1.920 3.988 1.00 0.00 O ATOM 877 CB SER A 58 1.071 -0.202 6.036 1.00 0.00 C ATOM 878 OG SER A 58 1.396 -1.369 6.780 1.00 0.00 O ATOM 0 H SER A 58 3.444 0.712 4.592 1.00 0.00 H new ATOM 0 HA SER A 58 1.295 -1.328 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.507 0.678 6.508 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.009 -0.054 6.022 1.00 0.00 H new ATOM 0 HG SER A 58 1.060 -1.277 7.696 1.00 0.00 H new ATOM 884 N ILE A 59 0.381 0.386 2.651 1.00 0.00 N ATOM 885 CA ILE A 59 -0.172 1.411 1.709 1.00 0.00 C ATOM 886 C ILE A 59 -1.700 1.401 1.740 1.00 0.00 C ATOM 887 O ILE A 59 -2.324 0.458 2.184 1.00 0.00 O ATOM 888 CB ILE A 59 0.306 1.089 0.289 1.00 0.00 C ATOM 889 CG1 ILE A 59 1.826 1.260 0.218 1.00 0.00 C ATOM 890 CG2 ILE A 59 -0.360 2.038 -0.712 1.00 0.00 C ATOM 891 CD1 ILE A 59 2.349 0.682 -1.100 1.00 0.00 C ATOM 0 H ILE A 59 0.200 -0.582 2.386 1.00 0.00 H new ATOM 0 HA ILE A 59 0.177 2.398 2.013 1.00 0.00 H new ATOM 0 HB ILE A 59 0.038 0.062 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.087 2.316 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.298 0.755 1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.016 1.804 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.442 1.919 -0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.096 3.067 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.431 0.805 -1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.102 -0.378 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.887 1.207 -1.936 1.00 0.00 H new ATOM 903 N ALA A 60 -2.297 2.455 1.250 1.00 0.00 N ATOM 904 CA ALA A 60 -3.789 2.558 1.209 1.00 0.00 C ATOM 905 C ALA A 60 -4.197 3.031 -0.189 1.00 0.00 C ATOM 906 O ALA A 60 -3.632 3.972 -0.710 1.00 0.00 O ATOM 907 CB ALA A 60 -4.257 3.571 2.255 1.00 0.00 C ATOM 0 H ALA A 60 -1.806 3.264 0.869 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.244 1.591 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.344 3.647 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.942 3.243 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.819 4.546 2.039 1.00 0.00 H new ATOM 913 N GLY A 61 -5.156 2.382 -0.818 1.00 0.00 N ATOM 914 CA GLY A 61 -5.560 2.805 -2.205 1.00 0.00 C ATOM 915 C GLY A 61 -7.076 2.686 -2.405 1.00 0.00 C ATOM 916 O GLY A 61 -7.728 1.831 -1.840 1.00 0.00 O ATOM 0 H GLY A 61 -5.671 1.588 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.248 3.835 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.044 2.187 -2.940 1.00 0.00 H new ATOM 920 N HIS A 62 -7.633 3.550 -3.220 1.00 0.00 N ATOM 921 CA HIS A 62 -9.111 3.512 -3.486 1.00 0.00 C ATOM 922 C HIS A 62 -9.454 2.360 -4.442 1.00 0.00 C ATOM 923 O HIS A 62 -8.632 1.524 -4.751 1.00 0.00 O ATOM 924 CB HIS A 62 -9.560 4.845 -4.117 1.00 0.00 C ATOM 925 CG HIS A 62 -9.784 5.875 -3.045 1.00 0.00 C ATOM 926 ND1 HIS A 62 -11.012 6.042 -2.424 1.00 0.00 N ATOM 927 CD2 HIS A 62 -8.951 6.803 -2.482 1.00 0.00 C ATOM 928 CE1 HIS A 62 -10.883 7.040 -1.532 1.00 0.00 C ATOM 929 NE2 HIS A 62 -9.646 7.541 -1.526 1.00 0.00 N ATOM 0 H HIS A 62 -7.127 4.284 -3.716 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.630 3.357 -2.540 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.803 5.197 -4.818 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.478 4.696 -4.686 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -11.859 5.505 -2.610 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.912 6.942 -2.740 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.683 7.393 -0.898 1.00 0.00 H new ATOM 937 N THR A 63 -10.673 2.331 -4.922 1.00 0.00 N ATOM 938 CA THR A 63 -11.094 1.261 -5.864 1.00 0.00 C ATOM 939 C THR A 63 -12.324 1.745 -6.654 1.00 0.00 C ATOM 940 O THR A 63 -13.454 1.462 -6.313 1.00 0.00 O ATOM 941 CB THR A 63 -11.419 -0.019 -5.072 1.00 0.00 C ATOM 942 OG1 THR A 63 -11.616 -1.095 -5.976 1.00 0.00 O ATOM 943 CG2 THR A 63 -12.690 0.159 -4.223 1.00 0.00 C ATOM 0 H THR A 63 -11.398 3.012 -4.696 1.00 0.00 H new ATOM 0 HA THR A 63 -10.291 1.037 -6.566 1.00 0.00 H new ATOM 0 HB THR A 63 -10.582 -0.229 -4.406 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.810 -1.652 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.894 -0.761 -3.675 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.544 0.977 -3.517 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.534 0.388 -4.874 1.00 0.00 H new ATOM 951 N PHE A 64 -12.111 2.490 -7.708 1.00 0.00 N ATOM 952 CA PHE A 64 -13.262 3.006 -8.512 1.00 0.00 C ATOM 953 C PHE A 64 -13.631 1.982 -9.591 1.00 0.00 C ATOM 954 O PHE A 64 -12.915 1.791 -10.552 1.00 0.00 O ATOM 955 CB PHE A 64 -12.867 4.340 -9.170 1.00 0.00 C ATOM 956 CG PHE A 64 -13.052 5.478 -8.184 1.00 0.00 C ATOM 957 CD1 PHE A 64 -12.365 5.464 -6.963 1.00 0.00 C ATOM 958 CD2 PHE A 64 -13.912 6.545 -8.489 1.00 0.00 C ATOM 959 CE1 PHE A 64 -12.536 6.512 -6.050 1.00 0.00 C ATOM 960 CE2 PHE A 64 -14.080 7.592 -7.575 1.00 0.00 C ATOM 961 CZ PHE A 64 -13.394 7.575 -6.356 1.00 0.00 C ATOM 0 H PHE A 64 -11.189 2.764 -8.048 1.00 0.00 H new ATOM 0 HA PHE A 64 -14.122 3.166 -7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.829 4.299 -9.500 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -13.477 4.513 -10.056 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -11.703 4.644 -6.726 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -14.444 6.558 -9.429 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -12.006 6.500 -5.109 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -14.740 8.414 -7.811 1.00 0.00 H new ATOM 0 HZ PHE A 64 -13.526 8.382 -5.651 1.00 0.00 H new ATOM 971 N ILE A 65 -14.746 1.324 -9.433 1.00 0.00 N ATOM 972 CA ILE A 65 -15.173 0.305 -10.436 1.00 0.00 C ATOM 973 C ILE A 65 -15.344 0.947 -11.807 1.00 0.00 C ATOM 974 O ILE A 65 -15.196 0.302 -12.826 1.00 0.00 O ATOM 975 CB ILE A 65 -16.512 -0.299 -10.002 1.00 0.00 C ATOM 976 CG1 ILE A 65 -16.460 -0.649 -8.512 1.00 0.00 C ATOM 977 CG2 ILE A 65 -16.788 -1.562 -10.816 1.00 0.00 C ATOM 978 CD1 ILE A 65 -15.189 -1.444 -8.209 1.00 0.00 C ATOM 0 H ILE A 65 -15.385 1.448 -8.647 1.00 0.00 H new ATOM 0 HA ILE A 65 -14.409 -0.470 -10.497 1.00 0.00 H new ATOM 0 HB ILE A 65 -17.309 0.425 -10.174 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -16.481 0.262 -7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -17.339 -1.232 -8.235 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -17.741 -1.993 -10.508 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -16.830 -1.310 -11.876 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -15.991 -2.286 -10.646 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -15.158 -1.690 -7.148 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -15.187 -2.363 -8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -14.315 -0.846 -8.469 1.00 0.00 H new ATOM 990 N ASP A 66 -15.670 2.207 -11.849 1.00 0.00 N ATOM 991 CA ASP A 66 -15.866 2.876 -13.161 1.00 0.00 C ATOM 992 C ASP A 66 -14.529 3.398 -13.670 1.00 0.00 C ATOM 993 O ASP A 66 -14.466 4.218 -14.563 1.00 0.00 O ATOM 994 CB ASP A 66 -16.850 4.036 -12.999 1.00 0.00 C ATOM 995 CG ASP A 66 -17.284 4.536 -14.378 1.00 0.00 C ATOM 996 OD1 ASP A 66 -16.791 4.008 -15.361 1.00 0.00 O ATOM 997 OD2 ASP A 66 -18.103 5.439 -14.428 1.00 0.00 O ATOM 0 H ASP A 66 -15.809 2.801 -11.032 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.268 2.162 -13.879 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.720 3.711 -12.428 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.384 4.846 -12.437 1.00 0.00 H new ATOM 1002 N ARG A 67 -13.458 2.917 -13.111 1.00 0.00 N ATOM 1003 CA ARG A 67 -12.109 3.368 -13.558 1.00 0.00 C ATOM 1004 C ARG A 67 -11.105 2.231 -13.340 1.00 0.00 C ATOM 1005 O ARG A 67 -10.295 2.283 -12.439 1.00 0.00 O ATOM 1006 CB ARG A 67 -11.689 4.601 -12.749 1.00 0.00 C ATOM 1007 CG ARG A 67 -10.534 5.320 -13.452 1.00 0.00 C ATOM 1008 CD ARG A 67 -10.289 6.671 -12.776 1.00 0.00 C ATOM 1009 NE ARG A 67 -11.379 7.615 -13.146 1.00 0.00 N ATOM 1010 CZ ARG A 67 -11.547 8.714 -12.464 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -10.760 8.984 -11.458 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -12.503 9.542 -12.784 1.00 0.00 N ATOM 0 H ARG A 67 -13.456 2.227 -12.360 1.00 0.00 H new ATOM 0 HA ARG A 67 -12.136 3.630 -14.616 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.536 5.278 -12.637 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.385 4.302 -11.746 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.631 4.710 -13.409 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.770 5.466 -14.506 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.252 6.547 -11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.324 7.074 -13.083 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.994 7.403 -13.932 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.014 8.336 -11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.891 9.843 -10.924 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.120 9.330 -13.568 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.634 10.401 -12.250 1.00 0.00 H new ATOM 1026 N PRO A 68 -11.180 1.207 -14.162 1.00 0.00 N ATOM 1027 CA PRO A 68 -10.287 -0.002 -14.081 1.00 0.00 C ATOM 1028 C PRO A 68 -8.785 0.324 -13.988 1.00 0.00 C ATOM 1029 O PRO A 68 -7.950 -0.540 -14.161 1.00 0.00 O ATOM 1030 CB PRO A 68 -10.595 -0.756 -15.383 1.00 0.00 C ATOM 1031 CG PRO A 68 -11.993 -0.365 -15.724 1.00 0.00 C ATOM 1032 CD PRO A 68 -12.141 1.088 -15.274 1.00 0.00 C ATOM 0 HA PRO A 68 -10.484 -0.569 -13.171 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.901 -0.477 -16.176 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.507 -1.834 -15.247 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.177 -0.464 -16.794 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.713 -1.007 -15.217 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.908 1.783 -16.081 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.159 1.305 -14.949 1.00 0.00 H new ATOM 1040 N ASN A 69 -8.432 1.546 -13.705 1.00 0.00 N ATOM 1041 CA ASN A 69 -6.990 1.904 -13.590 1.00 0.00 C ATOM 1042 C ASN A 69 -6.847 3.022 -12.559 1.00 0.00 C ATOM 1043 O ASN A 69 -6.431 4.119 -12.871 1.00 0.00 O ATOM 1044 CB ASN A 69 -6.471 2.389 -14.946 1.00 0.00 C ATOM 1045 CG ASN A 69 -7.379 3.501 -15.474 1.00 0.00 C ATOM 1046 OD1 ASN A 69 -7.296 4.629 -15.031 1.00 0.00 O ATOM 1047 ND2 ASN A 69 -8.249 3.229 -16.409 1.00 0.00 N ATOM 0 H ASN A 69 -9.082 2.316 -13.548 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.413 1.033 -13.280 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.450 2.756 -14.846 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.444 1.561 -15.654 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.859 3.964 -16.767 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.319 2.282 -16.781 1.00 0.00 H new ATOM 1054 N TYR A 70 -7.204 2.757 -11.327 1.00 0.00 N ATOM 1055 CA TYR A 70 -7.103 3.817 -10.280 1.00 0.00 C ATOM 1056 C TYR A 70 -6.872 3.192 -8.900 1.00 0.00 C ATOM 1057 O TYR A 70 -7.795 2.769 -8.234 1.00 0.00 O ATOM 1058 CB TYR A 70 -8.403 4.624 -10.259 1.00 0.00 C ATOM 1059 CG TYR A 70 -8.236 5.844 -9.378 1.00 0.00 C ATOM 1060 CD1 TYR A 70 -7.330 6.851 -9.740 1.00 0.00 C ATOM 1061 CD2 TYR A 70 -8.988 5.972 -8.200 1.00 0.00 C ATOM 1062 CE1 TYR A 70 -7.175 7.980 -8.926 1.00 0.00 C ATOM 1063 CE2 TYR A 70 -8.831 7.102 -7.388 1.00 0.00 C ATOM 1064 CZ TYR A 70 -7.925 8.105 -7.751 1.00 0.00 C ATOM 1065 OH TYR A 70 -7.771 9.220 -6.950 1.00 0.00 O ATOM 0 H TYR A 70 -7.559 1.857 -11.003 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.260 4.467 -10.515 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -8.669 4.929 -11.271 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.220 4.005 -9.888 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -6.751 6.756 -10.647 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.688 5.199 -7.920 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.476 8.755 -9.205 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.409 7.200 -6.481 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.642 9.649 -6.815 1.00 0.00 H new ATOM 1075 N GLN A 71 -5.644 3.167 -8.458 1.00 0.00 N ATOM 1076 CA GLN A 71 -5.330 2.613 -7.108 1.00 0.00 C ATOM 1077 C GLN A 71 -5.729 1.132 -7.009 1.00 0.00 C ATOM 1078 O GLN A 71 -5.325 0.317 -7.815 1.00 0.00 O ATOM 1079 CB GLN A 71 -6.074 3.441 -6.051 1.00 0.00 C ATOM 1080 CG GLN A 71 -6.005 4.931 -6.429 1.00 0.00 C ATOM 1081 CD GLN A 71 -6.304 5.803 -5.206 1.00 0.00 C ATOM 1082 OE1 GLN A 71 -7.009 6.787 -5.309 1.00 0.00 O ATOM 1083 NE2 GLN A 71 -5.797 5.487 -4.047 1.00 0.00 N ATOM 0 H GLN A 71 -4.837 3.510 -8.979 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.255 2.673 -6.937 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.113 3.119 -5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.629 3.282 -5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.016 5.169 -6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.722 5.146 -7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.205 4.661 -3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.993 6.065 -3.230 1.00 0.00 H new ATOM 1092 N PHE A 72 -6.498 0.771 -6.010 1.00 0.00 N ATOM 1093 CA PHE A 72 -6.902 -0.662 -5.833 1.00 0.00 C ATOM 1094 C PHE A 72 -8.241 -0.913 -6.551 1.00 0.00 C ATOM 1095 O PHE A 72 -9.223 -1.331 -5.977 1.00 0.00 O ATOM 1096 CB PHE A 72 -6.976 -0.959 -4.307 1.00 0.00 C ATOM 1097 CG PHE A 72 -8.005 -2.025 -3.990 1.00 0.00 C ATOM 1098 CD1 PHE A 72 -7.967 -3.241 -4.669 1.00 0.00 C ATOM 1099 CD2 PHE A 72 -9.008 -1.788 -3.042 1.00 0.00 C ATOM 1100 CE1 PHE A 72 -8.916 -4.226 -4.399 1.00 0.00 C ATOM 1101 CE2 PHE A 72 -9.966 -2.776 -2.777 1.00 0.00 C ATOM 1102 CZ PHE A 72 -9.916 -3.996 -3.453 1.00 0.00 C ATOM 0 H PHE A 72 -6.866 1.410 -5.305 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.173 -1.339 -6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.997 -1.282 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -7.224 -0.043 -3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.200 -3.421 -5.407 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.043 -0.845 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.877 -5.169 -4.923 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.743 -2.593 -2.050 1.00 0.00 H new ATOM 0 HZ PHE A 72 -10.650 -4.761 -3.244 1.00 0.00 H new ATOM 1112 N THR A 73 -8.280 -0.681 -7.832 1.00 0.00 N ATOM 1113 CA THR A 73 -9.535 -0.942 -8.590 1.00 0.00 C ATOM 1114 C THR A 73 -9.495 -2.379 -9.124 1.00 0.00 C ATOM 1115 O THR A 73 -10.518 -2.977 -9.390 1.00 0.00 O ATOM 1116 CB THR A 73 -9.652 0.023 -9.768 1.00 0.00 C ATOM 1117 OG1 THR A 73 -9.604 1.362 -9.294 1.00 0.00 O ATOM 1118 CG2 THR A 73 -10.982 -0.227 -10.480 1.00 0.00 C ATOM 0 H THR A 73 -7.501 -0.324 -8.386 1.00 0.00 H new ATOM 0 HA THR A 73 -10.391 -0.802 -7.930 1.00 0.00 H new ATOM 0 HB THR A 73 -8.827 -0.136 -10.462 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.756 1.514 -8.827 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.077 0.457 -11.324 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.014 -1.255 -10.841 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.804 -0.061 -9.784 1.00 0.00 H new ATOM 1126 N ASN A 74 -8.311 -2.930 -9.301 1.00 0.00 N ATOM 1127 CA ASN A 74 -8.192 -4.327 -9.843 1.00 0.00 C ATOM 1128 C ASN A 74 -7.133 -5.121 -9.059 1.00 0.00 C ATOM 1129 O ASN A 74 -6.908 -6.284 -9.333 1.00 0.00 O ATOM 1130 CB ASN A 74 -7.806 -4.283 -11.348 1.00 0.00 C ATOM 1131 CG ASN A 74 -7.976 -2.865 -11.901 1.00 0.00 C ATOM 1132 OD1 ASN A 74 -8.993 -2.234 -11.692 1.00 0.00 O ATOM 1133 ND2 ASN A 74 -7.011 -2.340 -12.605 1.00 0.00 N ATOM 0 H ASN A 74 -7.423 -2.472 -9.093 1.00 0.00 H new ATOM 0 HA ASN A 74 -9.156 -4.823 -9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.773 -4.608 -11.475 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.430 -4.977 -11.911 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.109 -1.397 -12.982 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.158 -2.872 -12.779 1.00 0.00 H new ATOM 1140 N LEU A 75 -6.482 -4.531 -8.088 1.00 0.00 N ATOM 1141 CA LEU A 75 -5.461 -5.313 -7.323 1.00 0.00 C ATOM 1142 C LEU A 75 -6.133 -6.593 -6.804 1.00 0.00 C ATOM 1143 O LEU A 75 -5.488 -7.506 -6.326 1.00 0.00 O ATOM 1144 CB LEU A 75 -4.909 -4.467 -6.149 1.00 0.00 C ATOM 1145 CG LEU A 75 -3.395 -4.657 -6.010 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -2.876 -3.768 -4.878 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -3.087 -6.125 -5.691 1.00 0.00 C ATOM 0 H LEU A 75 -6.608 -3.562 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.620 -5.572 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.135 -3.414 -6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.404 -4.756 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.906 -4.382 -6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.799 -3.900 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.093 -2.725 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.366 -4.045 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.010 -6.258 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.574 -6.404 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.458 -6.758 -6.497 1.00 0.00 H new ATOM 1159 N LYS A 76 -7.433 -6.660 -6.925 1.00 0.00 N ATOM 1160 CA LYS A 76 -8.186 -7.866 -6.480 1.00 0.00 C ATOM 1161 C LYS A 76 -8.002 -8.946 -7.540 1.00 0.00 C ATOM 1162 O LYS A 76 -7.872 -10.118 -7.247 1.00 0.00 O ATOM 1163 CB LYS A 76 -9.681 -7.517 -6.371 1.00 0.00 C ATOM 1164 CG LYS A 76 -10.028 -6.437 -7.411 1.00 0.00 C ATOM 1165 CD LYS A 76 -11.540 -6.413 -7.656 1.00 0.00 C ATOM 1166 CE LYS A 76 -12.284 -6.302 -6.322 1.00 0.00 C ATOM 1167 NZ LYS A 76 -12.395 -7.652 -5.700 1.00 0.00 N ATOM 0 H LYS A 76 -8.012 -5.918 -7.319 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.824 -8.210 -5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.287 -8.407 -6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.910 -7.159 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.693 -5.461 -7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.503 -6.638 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.800 -5.571 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.847 -7.319 -8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.754 -5.624 -5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.277 -5.881 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.371 -7.805 -5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.145 -8.379 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.746 -7.715 -4.890 1.00 0.00 H new ATOM 1181 N ALA A 77 -7.985 -8.542 -8.775 1.00 0.00 N ATOM 1182 CA ALA A 77 -7.804 -9.512 -9.876 1.00 0.00 C ATOM 1183 C ALA A 77 -6.436 -10.160 -9.702 1.00 0.00 C ATOM 1184 O ALA A 77 -6.210 -11.288 -10.092 1.00 0.00 O ATOM 1185 CB ALA A 77 -7.883 -8.763 -11.206 1.00 0.00 C ATOM 0 H ALA A 77 -8.090 -7.571 -9.068 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.576 -10.281 -9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.751 -9.466 -12.028 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.856 -8.280 -11.294 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.098 -8.008 -11.245 1.00 0.00 H new ATOM 1191 N ALA A 78 -5.529 -9.449 -9.095 1.00 0.00 N ATOM 1192 CA ALA A 78 -4.173 -10.010 -8.862 1.00 0.00 C ATOM 1193 C ALA A 78 -4.303 -11.288 -8.022 1.00 0.00 C ATOM 1194 O ALA A 78 -5.394 -11.728 -7.722 1.00 0.00 O ATOM 1195 CB ALA A 78 -3.334 -8.974 -8.112 1.00 0.00 C ATOM 0 H ALA A 78 -5.670 -8.500 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.690 -10.249 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.336 -9.374 -7.935 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.260 -8.065 -8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.808 -8.744 -7.158 1.00 0.00 H new ATOM 1201 N LYS A 79 -3.206 -11.889 -7.638 1.00 0.00 N ATOM 1202 CA LYS A 79 -3.292 -13.134 -6.819 1.00 0.00 C ATOM 1203 C LYS A 79 -1.890 -13.577 -6.395 1.00 0.00 C ATOM 1204 O LYS A 79 -0.896 -13.045 -6.847 1.00 0.00 O ATOM 1205 CB LYS A 79 -3.945 -14.244 -7.648 1.00 0.00 C ATOM 1206 CG LYS A 79 -3.309 -14.278 -9.038 1.00 0.00 C ATOM 1207 CD LYS A 79 -3.835 -15.489 -9.810 1.00 0.00 C ATOM 1208 CE LYS A 79 -3.010 -15.676 -11.082 1.00 0.00 C ATOM 1209 NZ LYS A 79 -3.143 -14.465 -11.941 1.00 0.00 N ATOM 0 H LYS A 79 -2.260 -11.574 -7.855 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.891 -12.937 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.816 -15.207 -7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.018 -14.069 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.541 -13.360 -9.578 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.224 -14.332 -8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.776 -16.383 -9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.886 -15.345 -10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.963 -15.842 -10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.351 -16.559 -11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.819 -14.685 -12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.139 -14.168 -11.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.564 -13.696 -11.548 1.00 0.00 H new ATOM 1223 N LYS A 80 -1.805 -14.554 -5.532 1.00 0.00 N ATOM 1224 CA LYS A 80 -0.471 -15.040 -5.082 1.00 0.00 C ATOM 1225 C LYS A 80 0.401 -15.338 -6.303 1.00 0.00 C ATOM 1226 O LYS A 80 0.253 -16.357 -6.948 1.00 0.00 O ATOM 1227 CB LYS A 80 -0.644 -16.316 -4.255 1.00 0.00 C ATOM 1228 CG LYS A 80 -1.414 -15.992 -2.969 1.00 0.00 C ATOM 1229 CD LYS A 80 -1.273 -17.143 -1.963 1.00 0.00 C ATOM 1230 CE LYS A 80 -2.069 -18.362 -2.439 1.00 0.00 C ATOM 1231 NZ LYS A 80 -3.474 -17.961 -2.741 1.00 0.00 N ATOM 0 H LYS A 80 -2.604 -15.036 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 80 0.007 -14.274 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.182 -17.067 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.331 -16.739 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.034 -15.069 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.467 -15.827 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.222 -17.408 -1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.631 -16.826 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.603 -18.787 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.059 -19.137 -1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.114 -18.755 -2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.736 -17.144 -2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.554 -17.705 -3.746 1.00 0.00 H new ATOM 1245 N GLY A 81 1.307 -14.453 -6.627 1.00 0.00 N ATOM 1246 CA GLY A 81 2.196 -14.671 -7.811 1.00 0.00 C ATOM 1247 C GLY A 81 2.364 -13.345 -8.552 1.00 0.00 C ATOM 1248 O GLY A 81 3.382 -13.084 -9.163 1.00 0.00 O ATOM 0 H GLY A 81 1.472 -13.583 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.166 -15.049 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.765 -15.422 -8.474 1.00 0.00 H new ATOM 1252 N SER A 82 1.373 -12.500 -8.489 1.00 0.00 N ATOM 1253 CA SER A 82 1.464 -11.184 -9.168 1.00 0.00 C ATOM 1254 C SER A 82 2.605 -10.402 -8.535 1.00 0.00 C ATOM 1255 O SER A 82 2.516 -9.962 -7.406 1.00 0.00 O ATOM 1256 CB SER A 82 0.150 -10.422 -8.988 1.00 0.00 C ATOM 1257 OG SER A 82 0.334 -9.069 -9.384 1.00 0.00 O ATOM 0 H SER A 82 0.499 -12.669 -7.992 1.00 0.00 H new ATOM 0 HA SER A 82 1.647 -11.319 -10.234 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.636 -10.884 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.171 -10.468 -7.947 1.00 0.00 H new ATOM 0 HG SER A 82 0.757 -9.041 -10.268 1.00 0.00 H new ATOM 1263 N MET A 83 3.687 -10.243 -9.232 1.00 0.00 N ATOM 1264 CA MET A 83 4.826 -9.506 -8.638 1.00 0.00 C ATOM 1265 C MET A 83 4.411 -8.064 -8.351 1.00 0.00 C ATOM 1266 O MET A 83 3.323 -7.643 -8.685 1.00 0.00 O ATOM 1267 CB MET A 83 6.012 -9.519 -9.603 1.00 0.00 C ATOM 1268 CG MET A 83 6.499 -10.957 -9.798 1.00 0.00 C ATOM 1269 SD MET A 83 7.952 -10.961 -10.877 1.00 0.00 S ATOM 1270 CE MET A 83 9.197 -10.757 -9.580 1.00 0.00 C ATOM 0 H MET A 83 3.832 -10.589 -10.181 1.00 0.00 H new ATOM 0 HA MET A 83 5.119 -9.989 -7.706 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.719 -9.090 -10.561 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.820 -8.901 -9.211 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.747 -11.402 -8.834 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.707 -11.565 -10.235 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.914 -9.993 -9.881 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.710 -10.453 -8.653 1.00 0.00 H new ATOM 0 HE3 MET A 83 9.717 -11.702 -9.423 1.00 0.00 H new ATOM 1280 N VAL A 84 5.271 -7.301 -7.731 1.00 0.00 N ATOM 1281 CA VAL A 84 4.933 -5.879 -7.415 1.00 0.00 C ATOM 1282 C VAL A 84 6.185 -5.020 -7.580 1.00 0.00 C ATOM 1283 O VAL A 84 7.107 -5.091 -6.793 1.00 0.00 O ATOM 1284 CB VAL A 84 4.437 -5.784 -5.970 1.00 0.00 C ATOM 1285 CG1 VAL A 84 3.756 -4.431 -5.748 1.00 0.00 C ATOM 1286 CG2 VAL A 84 3.437 -6.909 -5.699 1.00 0.00 C ATOM 0 H VAL A 84 6.198 -7.601 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 84 4.153 -5.526 -8.090 1.00 0.00 H new ATOM 0 HB VAL A 84 5.284 -5.878 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.404 -4.366 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.469 -3.629 -5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.910 -4.334 -6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.084 -6.842 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.591 -6.816 -6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.923 -7.873 -5.853 1.00 0.00 H new ATOM 1296 N TYR A 85 6.227 -4.212 -8.605 1.00 0.00 N ATOM 1297 CA TYR A 85 7.423 -3.351 -8.832 1.00 0.00 C ATOM 1298 C TYR A 85 7.234 -2.002 -8.137 1.00 0.00 C ATOM 1299 O TYR A 85 6.508 -1.147 -8.608 1.00 0.00 O ATOM 1300 CB TYR A 85 7.601 -3.121 -10.333 1.00 0.00 C ATOM 1301 CG TYR A 85 7.899 -4.435 -11.014 1.00 0.00 C ATOM 1302 CD1 TYR A 85 9.195 -4.962 -10.981 1.00 0.00 C ATOM 1303 CD2 TYR A 85 6.880 -5.127 -11.680 1.00 0.00 C ATOM 1304 CE1 TYR A 85 9.474 -6.180 -11.612 1.00 0.00 C ATOM 1305 CE2 TYR A 85 7.158 -6.344 -12.313 1.00 0.00 C ATOM 1306 CZ TYR A 85 8.455 -6.870 -12.280 1.00 0.00 C ATOM 1307 OH TYR A 85 8.730 -8.071 -12.903 1.00 0.00 O ATOM 0 H TYR A 85 5.483 -4.111 -9.296 1.00 0.00 H new ATOM 0 HA TYR A 85 8.304 -3.846 -8.424 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.698 -2.679 -10.753 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.413 -2.416 -10.509 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.981 -4.428 -10.468 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.879 -4.722 -11.705 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.474 -6.587 -11.584 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.372 -6.877 -12.827 1.00 0.00 H new ATOM 0 HH TYR A 85 8.499 -8.811 -12.303 1.00 0.00 H new ATOM 1317 N PHE A 86 7.900 -1.794 -7.032 1.00 0.00 N ATOM 1318 CA PHE A 86 7.783 -0.489 -6.315 1.00 0.00 C ATOM 1319 C PHE A 86 8.933 0.400 -6.782 1.00 0.00 C ATOM 1320 O PHE A 86 10.087 0.123 -6.518 1.00 0.00 O ATOM 1321 CB PHE A 86 7.881 -0.726 -4.801 1.00 0.00 C ATOM 1322 CG PHE A 86 7.730 0.585 -4.053 1.00 0.00 C ATOM 1323 CD1 PHE A 86 6.556 1.341 -4.186 1.00 0.00 C ATOM 1324 CD2 PHE A 86 8.766 1.048 -3.224 1.00 0.00 C ATOM 1325 CE1 PHE A 86 6.420 2.549 -3.498 1.00 0.00 C ATOM 1326 CE2 PHE A 86 8.625 2.259 -2.534 1.00 0.00 C ATOM 1327 CZ PHE A 86 7.453 3.009 -2.674 1.00 0.00 C ATOM 0 H PHE A 86 8.522 -2.473 -6.593 1.00 0.00 H new ATOM 0 HA PHE A 86 6.826 -0.013 -6.529 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.107 -1.425 -4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.841 -1.183 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.757 0.989 -4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.672 0.470 -3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.515 3.129 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.420 2.613 -1.895 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.345 3.945 -2.145 1.00 0.00 H new ATOM 1337 N LYS A 87 8.633 1.452 -7.502 1.00 0.00 N ATOM 1338 CA LYS A 87 9.712 2.348 -8.023 1.00 0.00 C ATOM 1339 C LYS A 87 9.811 3.614 -7.174 1.00 0.00 C ATOM 1340 O LYS A 87 8.824 4.135 -6.694 1.00 0.00 O ATOM 1341 CB LYS A 87 9.386 2.734 -9.468 1.00 0.00 C ATOM 1342 CG LYS A 87 10.566 3.494 -10.079 1.00 0.00 C ATOM 1343 CD LYS A 87 10.318 3.697 -11.576 1.00 0.00 C ATOM 1344 CE LYS A 87 11.483 4.477 -12.189 1.00 0.00 C ATOM 1345 NZ LYS A 87 12.765 3.787 -11.870 1.00 0.00 N ATOM 0 H LYS A 87 7.684 1.730 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 87 10.664 1.820 -7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.174 1.840 -10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.489 3.353 -9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.687 4.458 -9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.491 2.938 -9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.213 2.732 -12.071 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.384 4.238 -11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.357 4.551 -13.269 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.498 5.495 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.500 4.095 -12.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.056 4.026 -10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.634 2.758 -11.948 1.00 0.00 H new ATOM 1359 N VAL A 88 11.003 4.113 -6.993 1.00 0.00 N ATOM 1360 CA VAL A 88 11.185 5.350 -6.184 1.00 0.00 C ATOM 1361 C VAL A 88 12.626 5.845 -6.335 1.00 0.00 C ATOM 1362 O VAL A 88 13.570 5.099 -6.163 1.00 0.00 O ATOM 1363 CB VAL A 88 10.892 5.049 -4.712 1.00 0.00 C ATOM 1364 CG1 VAL A 88 11.739 3.865 -4.243 1.00 0.00 C ATOM 1365 CG2 VAL A 88 11.225 6.281 -3.864 1.00 0.00 C ATOM 0 H VAL A 88 11.862 3.715 -7.373 1.00 0.00 H new ATOM 0 HA VAL A 88 10.498 6.121 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 88 9.837 4.801 -4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.525 3.657 -3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.501 2.987 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.796 4.106 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.017 6.068 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 88 12.280 6.529 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.616 7.123 -4.191 1.00 0.00 H new ATOM 1375 N GLY A 89 12.804 7.096 -6.660 1.00 0.00 N ATOM 1376 CA GLY A 89 14.185 7.633 -6.826 1.00 0.00 C ATOM 1377 C GLY A 89 14.868 6.928 -8.001 1.00 0.00 C ATOM 1378 O GLY A 89 14.399 6.981 -9.120 1.00 0.00 O ATOM 0 H GLY A 89 12.054 7.769 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.150 8.708 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.759 7.479 -5.912 1.00 0.00 H new ATOM 1382 N ASN A 90 15.972 6.267 -7.750 1.00 0.00 N ATOM 1383 CA ASN A 90 16.704 5.544 -8.842 1.00 0.00 C ATOM 1384 C ASN A 90 16.868 4.076 -8.448 1.00 0.00 C ATOM 1385 O ASN A 90 17.860 3.446 -8.755 1.00 0.00 O ATOM 1386 CB ASN A 90 18.085 6.174 -9.035 1.00 0.00 C ATOM 1387 CG ASN A 90 18.751 5.567 -10.271 1.00 0.00 C ATOM 1388 OD1 ASN A 90 19.597 4.701 -10.156 1.00 0.00 O ATOM 1389 ND2 ASN A 90 18.403 5.986 -11.457 1.00 0.00 N ATOM 0 H ASN A 90 16.402 6.196 -6.828 1.00 0.00 H new ATOM 0 HA ASN A 90 16.139 5.616 -9.772 1.00 0.00 H new ATOM 0 HB2 ASN A 90 17.991 7.254 -9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 90 18.702 6.001 -8.154 1.00 0.00 H new ATOM 0 HD21 ASN A 90 18.841 5.587 -12.288 1.00 0.00 H new ATOM 0 HD22 ASN A 90 17.693 6.712 -11.553 1.00 0.00 H new ATOM 1396 N GLU A 91 15.896 3.526 -7.771 1.00 0.00 N ATOM 1397 CA GLU A 91 15.980 2.096 -7.353 1.00 0.00 C ATOM 1398 C GLU A 91 14.567 1.517 -7.278 1.00 0.00 C ATOM 1399 O GLU A 91 13.668 2.130 -6.736 1.00 0.00 O ATOM 1400 CB GLU A 91 16.642 2.007 -5.976 1.00 0.00 C ATOM 1401 CG GLU A 91 16.962 0.547 -5.654 1.00 0.00 C ATOM 1402 CD GLU A 91 18.131 0.075 -6.521 1.00 0.00 C ATOM 1403 OE1 GLU A 91 19.178 0.699 -6.458 1.00 0.00 O ATOM 1404 OE2 GLU A 91 17.959 -0.900 -7.235 1.00 0.00 O ATOM 0 H GLU A 91 15.043 4.008 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 91 16.572 1.533 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.555 2.602 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.980 2.421 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.214 0.444 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.086 -0.076 -5.835 1.00 0.00 H new ATOM 1411 N THR A 92 14.361 0.343 -7.833 1.00 0.00 N ATOM 1412 CA THR A 92 13.001 -0.286 -7.814 1.00 0.00 C ATOM 1413 C THR A 92 13.047 -1.617 -7.068 1.00 0.00 C ATOM 1414 O THR A 92 13.919 -2.436 -7.278 1.00 0.00 O ATOM 1415 CB THR A 92 12.540 -0.521 -9.254 1.00 0.00 C ATOM 1416 OG1 THR A 92 11.190 -0.961 -9.253 1.00 0.00 O ATOM 1417 CG2 THR A 92 13.425 -1.580 -9.914 1.00 0.00 C ATOM 0 H THR A 92 15.081 -0.208 -8.300 1.00 0.00 H new ATOM 0 HA THR A 92 12.303 0.378 -7.304 1.00 0.00 H new ATOM 0 HB THR A 92 12.618 0.411 -9.814 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.761 -0.697 -8.412 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.093 -1.744 -10.939 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.460 -1.238 -9.918 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.353 -2.513 -9.356 1.00 0.00 H new ATOM 1425 N ARG A 93 12.099 -1.834 -6.195 1.00 0.00 N ATOM 1426 CA ARG A 93 12.055 -3.112 -5.415 1.00 0.00 C ATOM 1427 C ARG A 93 11.124 -4.099 -6.133 1.00 0.00 C ATOM 1428 O ARG A 93 10.451 -3.749 -7.083 1.00 0.00 O ATOM 1429 CB ARG A 93 11.540 -2.840 -3.978 1.00 0.00 C ATOM 1430 CG ARG A 93 11.747 -1.365 -3.596 1.00 0.00 C ATOM 1431 CD ARG A 93 13.239 -1.025 -3.566 1.00 0.00 C ATOM 1432 NE ARG A 93 13.874 -1.682 -2.388 1.00 0.00 N ATOM 1433 CZ ARG A 93 15.175 -1.761 -2.309 1.00 0.00 C ATOM 1434 NH1 ARG A 93 15.916 -1.266 -3.261 1.00 0.00 N ATOM 1435 NH2 ARG A 93 15.734 -2.335 -1.280 1.00 0.00 N ATOM 0 H ARG A 93 11.347 -1.178 -5.985 1.00 0.00 H new ATOM 0 HA ARG A 93 13.057 -3.537 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.482 -3.093 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.066 -3.481 -3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.236 -0.722 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.304 -1.170 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.718 -1.361 -4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.376 0.055 -3.511 1.00 0.00 H new ATOM 0 HE ARG A 93 13.293 -2.069 -1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.479 -0.818 -4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.932 -1.327 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.155 -2.723 -0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.750 -2.396 -1.220 1.00 0.00 H new ATOM 1449 N LYS A 94 11.076 -5.331 -5.692 1.00 0.00 N ATOM 1450 CA LYS A 94 10.184 -6.329 -6.360 1.00 0.00 C ATOM 1451 C LYS A 94 9.658 -7.342 -5.333 1.00 0.00 C ATOM 1452 O LYS A 94 10.308 -8.321 -5.025 1.00 0.00 O ATOM 1453 CB LYS A 94 10.975 -7.059 -7.452 1.00 0.00 C ATOM 1454 CG LYS A 94 12.402 -7.318 -6.966 1.00 0.00 C ATOM 1455 CD LYS A 94 13.080 -8.334 -7.888 1.00 0.00 C ATOM 1456 CE LYS A 94 14.499 -8.610 -7.391 1.00 0.00 C ATOM 1457 NZ LYS A 94 15.120 -9.676 -8.227 1.00 0.00 N ATOM 0 H LYS A 94 11.613 -5.688 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 94 9.334 -5.811 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.488 -8.002 -7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.993 -6.461 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.968 -6.387 -6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.386 -7.694 -5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.505 -9.260 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.109 -7.952 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.097 -7.700 -7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.476 -8.920 -6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.085 -9.864 -7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.554 -10.545 -8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.155 -9.364 -9.218 1.00 0.00 H new ATOM 1471 N TYR A 95 8.472 -7.129 -4.817 1.00 0.00 N ATOM 1472 CA TYR A 95 7.903 -8.099 -3.830 1.00 0.00 C ATOM 1473 C TYR A 95 7.162 -9.198 -4.597 1.00 0.00 C ATOM 1474 O TYR A 95 7.197 -9.247 -5.810 1.00 0.00 O ATOM 1475 CB TYR A 95 6.915 -7.386 -2.901 1.00 0.00 C ATOM 1476 CG TYR A 95 7.554 -6.145 -2.323 1.00 0.00 C ATOM 1477 CD1 TYR A 95 7.636 -4.979 -3.092 1.00 0.00 C ATOM 1478 CD2 TYR A 95 8.060 -6.159 -1.016 1.00 0.00 C ATOM 1479 CE1 TYR A 95 8.223 -3.826 -2.557 1.00 0.00 C ATOM 1480 CE2 TYR A 95 8.646 -5.006 -0.481 1.00 0.00 C ATOM 1481 CZ TYR A 95 8.728 -3.840 -1.251 1.00 0.00 C ATOM 1482 OH TYR A 95 9.307 -2.704 -0.723 1.00 0.00 O ATOM 0 H TYR A 95 7.876 -6.330 -5.035 1.00 0.00 H new ATOM 0 HA TYR A 95 8.709 -8.526 -3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.013 -7.118 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 95 6.610 -8.056 -2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.246 -4.968 -4.099 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.998 -7.059 -0.422 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.286 -2.926 -3.151 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.035 -5.016 0.526 1.00 0.00 H new ATOM 0 HH TYR A 95 9.604 -2.884 0.193 1.00 0.00 H new ATOM 1492 N LYS A 96 6.486 -10.077 -3.904 1.00 0.00 N ATOM 1493 CA LYS A 96 5.743 -11.168 -4.605 1.00 0.00 C ATOM 1494 C LYS A 96 4.518 -11.575 -3.783 1.00 0.00 C ATOM 1495 O LYS A 96 4.636 -12.149 -2.720 1.00 0.00 O ATOM 1496 CB LYS A 96 6.664 -12.379 -4.785 1.00 0.00 C ATOM 1497 CG LYS A 96 5.876 -13.538 -5.414 1.00 0.00 C ATOM 1498 CD LYS A 96 6.842 -14.614 -5.964 1.00 0.00 C ATOM 1499 CE LYS A 96 7.159 -14.351 -7.444 1.00 0.00 C ATOM 1500 NZ LYS A 96 7.929 -13.083 -7.574 1.00 0.00 N ATOM 0 H LYS A 96 6.416 -10.088 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 96 5.416 -10.809 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.509 -12.114 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.072 -12.684 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.214 -13.981 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.245 -13.162 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.764 -14.613 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.396 -15.602 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.734 -15.181 -7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.235 -14.287 -8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.215 -12.951 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.334 -12.284 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.776 -13.128 -6.972 1.00 0.00 H new ATOM 1514 N MET A 97 3.340 -11.288 -4.273 1.00 0.00 N ATOM 1515 CA MET A 97 2.106 -11.666 -3.524 1.00 0.00 C ATOM 1516 C MET A 97 2.204 -13.131 -3.093 1.00 0.00 C ATOM 1517 O MET A 97 2.264 -14.019 -3.917 1.00 0.00 O ATOM 1518 CB MET A 97 0.887 -11.494 -4.433 1.00 0.00 C ATOM 1519 CG MET A 97 0.645 -10.007 -4.701 1.00 0.00 C ATOM 1520 SD MET A 97 -0.980 -9.788 -5.466 1.00 0.00 S ATOM 1521 CE MET A 97 -1.936 -9.675 -3.933 1.00 0.00 C ATOM 0 H MET A 97 3.180 -10.809 -5.159 1.00 0.00 H new ATOM 0 HA MET A 97 2.004 -11.028 -2.646 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.046 -12.021 -5.374 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.008 -11.936 -3.965 1.00 0.00 H new ATOM 0 HG2 MET A 97 0.698 -9.445 -3.768 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.423 -9.613 -5.355 1.00 0.00 H new ATOM 0 HE1 MET A 97 -2.936 -10.077 -4.097 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.439 -10.249 -3.151 1.00 0.00 H new ATOM 0 HE3 MET A 97 -2.010 -8.632 -3.626 1.00 0.00 H new ATOM 1531 N THR A 98 2.213 -13.397 -1.813 1.00 0.00 N ATOM 1532 CA THR A 98 2.302 -14.814 -1.351 1.00 0.00 C ATOM 1533 C THR A 98 1.768 -14.921 0.088 1.00 0.00 C ATOM 1534 O THR A 98 2.072 -15.861 0.795 1.00 0.00 O ATOM 1535 CB THR A 98 3.782 -15.281 -1.404 1.00 0.00 C ATOM 1536 OG1 THR A 98 4.624 -14.143 -1.477 1.00 0.00 O ATOM 1537 CG2 THR A 98 4.035 -16.169 -2.634 1.00 0.00 C ATOM 0 H THR A 98 2.163 -12.699 -1.071 1.00 0.00 H new ATOM 0 HA THR A 98 1.701 -15.450 -2.001 1.00 0.00 H new ATOM 0 HB THR A 98 3.996 -15.860 -0.505 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.594 -13.772 -2.383 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.079 -16.483 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.392 -17.048 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.813 -15.606 -3.541 1.00 0.00 H new ATOM 1545 N SER A 99 0.970 -13.983 0.532 1.00 0.00 N ATOM 1546 CA SER A 99 0.439 -14.080 1.916 1.00 0.00 C ATOM 1547 C SER A 99 -0.682 -13.063 2.098 1.00 0.00 C ATOM 1548 O SER A 99 -0.471 -11.965 2.569 1.00 0.00 O ATOM 1549 CB SER A 99 1.558 -13.791 2.917 1.00 0.00 C ATOM 1550 OG SER A 99 2.263 -12.625 2.510 1.00 0.00 O ATOM 0 H SER A 99 0.669 -13.166 0.001 1.00 0.00 H new ATOM 0 HA SER A 99 0.053 -15.085 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.142 -13.649 3.914 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.239 -14.640 2.974 1.00 0.00 H new ATOM 0 HG SER A 99 1.623 -11.924 2.267 1.00 0.00 H new ATOM 1556 N ILE A 100 -1.879 -13.428 1.743 1.00 0.00 N ATOM 1557 CA ILE A 100 -3.019 -12.491 1.907 1.00 0.00 C ATOM 1558 C ILE A 100 -3.447 -12.522 3.382 1.00 0.00 C ATOM 1559 O ILE A 100 -3.045 -13.393 4.127 1.00 0.00 O ATOM 1560 CB ILE A 100 -4.166 -12.939 0.983 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -3.886 -12.492 -0.462 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -5.488 -12.317 1.439 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -2.732 -13.305 -1.058 1.00 0.00 C ATOM 0 H ILE A 100 -2.117 -14.337 1.346 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.742 -11.472 1.637 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.236 -14.026 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.782 -12.621 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.639 -11.431 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.291 -12.642 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.707 -12.635 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.409 -11.230 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.546 -12.977 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.834 -13.154 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.994 -14.363 -1.058 1.00 0.00 H new ATOM 1842 N ASP A 118 9.466 -11.753 7.006 1.00 0.00 N ATOM 1843 CA ASP A 118 10.581 -10.952 6.406 1.00 0.00 C ATOM 1844 C ASP A 118 9.992 -9.702 5.765 1.00 0.00 C ATOM 1845 O ASP A 118 8.788 -9.574 5.668 1.00 0.00 O ATOM 1846 CB ASP A 118 11.287 -11.785 5.333 1.00 0.00 C ATOM 1847 CG ASP A 118 12.506 -11.020 4.811 1.00 0.00 C ATOM 1848 OD1 ASP A 118 13.077 -10.262 5.577 1.00 0.00 O ATOM 1849 OD2 ASP A 118 12.846 -11.205 3.654 1.00 0.00 O ATOM 0 HA ASP A 118 11.298 -10.675 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 118 11.597 -12.744 5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.601 -11.999 4.514 1.00 0.00 H new ATOM 1854 N LYS A 119 10.826 -8.779 5.328 1.00 0.00 N ATOM 1855 CA LYS A 119 10.315 -7.526 4.674 1.00 0.00 C ATOM 1856 C LYS A 119 9.051 -7.851 3.873 1.00 0.00 C ATOM 1857 O LYS A 119 8.996 -8.836 3.164 1.00 0.00 O ATOM 1858 CB LYS A 119 11.385 -6.965 3.735 1.00 0.00 C ATOM 1859 CG LYS A 119 10.922 -5.608 3.190 1.00 0.00 C ATOM 1860 CD LYS A 119 11.990 -5.017 2.250 1.00 0.00 C ATOM 1861 CE LYS A 119 13.027 -4.223 3.058 1.00 0.00 C ATOM 1862 NZ LYS A 119 12.466 -2.886 3.406 1.00 0.00 N ATOM 0 H LYS A 119 11.842 -8.842 5.397 1.00 0.00 H new ATOM 0 HA LYS A 119 10.082 -6.785 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.329 -6.853 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.563 -7.658 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.981 -5.726 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.734 -4.922 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.483 -5.818 1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.517 -4.367 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.291 -4.766 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.943 -4.106 2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.191 -2.322 3.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.173 -2.396 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.643 -3.007 4.030 1.00 0.00 H new ATOM 1876 N GLN A 120 8.020 -7.069 4.018 1.00 0.00 N ATOM 1877 CA GLN A 120 6.749 -7.381 3.305 1.00 0.00 C ATOM 1878 C GLN A 120 5.993 -6.096 2.962 1.00 0.00 C ATOM 1879 O GLN A 120 6.386 -5.008 3.334 1.00 0.00 O ATOM 1880 CB GLN A 120 5.878 -8.264 4.217 1.00 0.00 C ATOM 1881 CG GLN A 120 5.850 -7.707 5.676 1.00 0.00 C ATOM 1882 CD GLN A 120 6.291 -8.780 6.679 1.00 0.00 C ATOM 1883 OE1 GLN A 120 5.775 -9.878 6.674 1.00 0.00 O ATOM 1884 NE2 GLN A 120 7.226 -8.497 7.549 1.00 0.00 N ATOM 0 H GLN A 120 8.001 -6.230 4.597 1.00 0.00 H new ATOM 0 HA GLN A 120 6.976 -7.903 2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.863 -8.310 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.266 -9.283 4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 120 6.507 -6.841 5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.844 -7.366 5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.658 -7.573 7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 120 7.523 -9.200 8.225 1.00 0.00 H new ATOM 1893 N LEU A 121 4.905 -6.230 2.243 1.00 0.00 N ATOM 1894 CA LEU A 121 4.090 -5.040 1.840 1.00 0.00 C ATOM 1895 C LEU A 121 2.625 -5.286 2.214 1.00 0.00 C ATOM 1896 O LEU A 121 1.921 -6.008 1.539 1.00 0.00 O ATOM 1897 CB LEU A 121 4.205 -4.863 0.321 1.00 0.00 C ATOM 1898 CG LEU A 121 3.391 -3.647 -0.155 1.00 0.00 C ATOM 1899 CD1 LEU A 121 3.977 -2.352 0.427 1.00 0.00 C ATOM 1900 CD2 LEU A 121 3.439 -3.589 -1.686 1.00 0.00 C ATOM 0 H LEU A 121 4.542 -7.125 1.914 1.00 0.00 H new ATOM 0 HA LEU A 121 4.449 -4.145 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.252 -4.736 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.850 -5.763 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 121 2.360 -3.746 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.391 -1.500 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.947 -2.396 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 121 5.010 -2.240 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.865 -2.731 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 121 4.474 -3.492 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.012 -4.503 -2.098 1.00 0.00 H new ATOM 1912 N THR A 122 2.157 -4.686 3.278 1.00 0.00 N ATOM 1913 CA THR A 122 0.732 -4.888 3.685 1.00 0.00 C ATOM 1914 C THR A 122 -0.126 -3.781 3.073 1.00 0.00 C ATOM 1915 O THR A 122 -0.370 -2.760 3.680 1.00 0.00 O ATOM 1916 CB THR A 122 0.626 -4.833 5.213 1.00 0.00 C ATOM 1917 OG1 THR A 122 1.338 -5.927 5.774 1.00 0.00 O ATOM 1918 CG2 THR A 122 -0.844 -4.910 5.637 1.00 0.00 C ATOM 0 H THR A 122 2.697 -4.066 3.882 1.00 0.00 H new ATOM 0 HA THR A 122 0.383 -5.859 3.333 1.00 0.00 H new ATOM 0 HB THR A 122 1.052 -3.895 5.569 1.00 0.00 H new ATOM 0 HG1 THR A 122 1.273 -5.893 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 122 -0.912 -4.870 6.724 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.391 -4.070 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 122 -1.277 -5.845 5.280 1.00 0.00 H new ATOM 1926 N LEU A 123 -0.594 -3.974 1.873 1.00 0.00 N ATOM 1927 CA LEU A 123 -1.431 -2.923 1.240 1.00 0.00 C ATOM 1928 C LEU A 123 -2.812 -2.920 1.890 1.00 0.00 C ATOM 1929 O LEU A 123 -3.277 -3.926 2.395 1.00 0.00 O ATOM 1930 CB LEU A 123 -1.557 -3.195 -0.265 1.00 0.00 C ATOM 1931 CG LEU A 123 -2.312 -2.030 -0.966 1.00 0.00 C ATOM 1932 CD1 LEU A 123 -1.668 -1.725 -2.323 1.00 0.00 C ATOM 1933 CD2 LEU A 123 -3.783 -2.413 -1.193 1.00 0.00 C ATOM 0 H LEU A 123 -0.434 -4.808 1.308 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.964 -1.949 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.566 -3.311 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -2.089 -4.132 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 123 -2.255 -1.150 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -2.205 -0.908 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -0.627 -1.438 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -1.714 -2.612 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -4.302 -1.590 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -3.835 -3.302 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -4.257 -2.620 -0.234 1.00 0.00 H new ATOM 1945 N ILE A 124 -3.465 -1.787 1.890 1.00 0.00 N ATOM 1946 CA ILE A 124 -4.818 -1.677 2.516 1.00 0.00 C ATOM 1947 C ILE A 124 -5.781 -1.037 1.524 1.00 0.00 C ATOM 1948 O ILE A 124 -5.394 -0.253 0.684 1.00 0.00 O ATOM 1949 CB ILE A 124 -4.727 -0.768 3.744 1.00 0.00 C ATOM 1950 CG1 ILE A 124 -3.695 -1.325 4.734 1.00 0.00 C ATOM 1951 CG2 ILE A 124 -6.099 -0.676 4.423 1.00 0.00 C ATOM 1952 CD1 ILE A 124 -3.265 -0.212 5.690 1.00 0.00 C ATOM 0 H ILE A 124 -3.115 -0.922 1.478 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.169 -2.670 2.798 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.415 0.227 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -4.122 -2.157 5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -2.830 -1.713 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -6.030 -0.028 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -6.825 -0.264 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -6.419 -1.671 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.532 -0.602 6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -2.822 0.605 5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.134 0.155 6.236 1.00 0.00 H new ATOM 1964 N THR A 125 -7.040 -1.353 1.621 1.00 0.00 N ATOM 1965 CA THR A 125 -8.035 -0.743 0.698 1.00 0.00 C ATOM 1966 C THR A 125 -8.679 0.457 1.399 1.00 0.00 C ATOM 1967 O THR A 125 -8.744 0.512 2.611 1.00 0.00 O ATOM 1968 CB THR A 125 -9.099 -1.776 0.367 1.00 0.00 C ATOM 1969 OG1 THR A 125 -9.827 -2.090 1.539 1.00 0.00 O ATOM 1970 CG2 THR A 125 -8.431 -3.043 -0.169 1.00 0.00 C ATOM 0 H THR A 125 -7.424 -2.009 2.301 1.00 0.00 H new ATOM 0 HA THR A 125 -7.551 -0.415 -0.222 1.00 0.00 H new ATOM 0 HB THR A 125 -9.775 -1.374 -0.388 1.00 0.00 H new ATOM 0 HG1 THR A 125 -10.740 -2.352 1.297 1.00 0.00 H new ATOM 0 HG21 THR A 125 -9.194 -3.784 -0.406 1.00 0.00 H new ATOM 0 HG22 THR A 125 -7.866 -2.803 -1.069 1.00 0.00 H new ATOM 0 HG23 THR A 125 -7.756 -3.446 0.586 1.00 0.00 H new ATOM 1978 N CYS A 126 -9.151 1.424 0.655 1.00 0.00 N ATOM 1979 CA CYS A 126 -9.783 2.619 1.296 1.00 0.00 C ATOM 1980 C CYS A 126 -10.913 3.147 0.408 1.00 0.00 C ATOM 1981 O CYS A 126 -10.688 3.882 -0.531 1.00 0.00 O ATOM 1982 CB CYS A 126 -8.717 3.707 1.494 1.00 0.00 C ATOM 1983 SG CYS A 126 -7.864 3.429 3.066 1.00 0.00 S ATOM 0 H CYS A 126 -9.127 1.439 -0.365 1.00 0.00 H new ATOM 0 HA CYS A 126 -10.199 2.339 2.264 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -8.003 3.687 0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.182 4.693 1.489 1.00 0.00 H new ATOM 0 HG CYS A 126 -8.508 4.031 4.021 1.00 0.00 H new ATOM 1989 N ASP A 127 -12.130 2.783 0.709 1.00 0.00 N ATOM 1990 CA ASP A 127 -13.286 3.264 -0.104 1.00 0.00 C ATOM 1991 C ASP A 127 -14.503 3.422 0.815 1.00 0.00 C ATOM 1992 O ASP A 127 -14.770 2.582 1.649 1.00 0.00 O ATOM 1993 CB ASP A 127 -13.594 2.246 -1.208 1.00 0.00 C ATOM 1994 CG ASP A 127 -13.743 0.854 -0.592 1.00 0.00 C ATOM 1995 OD1 ASP A 127 -14.622 0.685 0.236 1.00 0.00 O ATOM 1996 OD2 ASP A 127 -12.975 -0.020 -0.961 1.00 0.00 O ATOM 0 H ASP A 127 -12.375 2.170 1.487 1.00 0.00 H new ATOM 0 HA ASP A 127 -13.047 4.223 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.510 2.525 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -12.794 2.244 -1.949 1.00 0.00 H new ATOM 2001 N ASP A 128 -15.231 4.501 0.675 1.00 0.00 N ATOM 2002 CA ASP A 128 -16.426 4.729 1.544 1.00 0.00 C ATOM 2003 C ASP A 128 -15.969 5.044 2.974 1.00 0.00 C ATOM 2004 O ASP A 128 -16.232 4.301 3.897 1.00 0.00 O ATOM 2005 CB ASP A 128 -17.325 3.480 1.541 1.00 0.00 C ATOM 2006 CG ASP A 128 -17.266 2.814 0.166 1.00 0.00 C ATOM 2007 OD1 ASP A 128 -17.731 3.421 -0.785 1.00 0.00 O ATOM 2008 OD2 ASP A 128 -16.759 1.707 0.087 1.00 0.00 O ATOM 0 H ASP A 128 -15.048 5.237 -0.007 1.00 0.00 H new ATOM 0 HA ASP A 128 -16.997 5.573 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -16.997 2.781 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -18.352 3.757 1.779 1.00 0.00 H new ATOM 2013 N TYR A 129 -15.282 6.137 3.166 1.00 0.00 N ATOM 2014 CA TYR A 129 -14.812 6.485 4.537 1.00 0.00 C ATOM 2015 C TYR A 129 -16.015 6.759 5.446 1.00 0.00 C ATOM 2016 O TYR A 129 -16.862 7.573 5.140 1.00 0.00 O ATOM 2017 CB TYR A 129 -13.908 7.724 4.473 1.00 0.00 C ATOM 2018 CG TYR A 129 -13.369 8.039 5.849 1.00 0.00 C ATOM 2019 CD1 TYR A 129 -14.166 8.717 6.779 1.00 0.00 C ATOM 2020 CD2 TYR A 129 -12.064 7.662 6.191 1.00 0.00 C ATOM 2021 CE1 TYR A 129 -13.658 9.013 8.049 1.00 0.00 C ATOM 2022 CE2 TYR A 129 -11.557 7.960 7.459 1.00 0.00 C ATOM 2023 CZ TYR A 129 -12.354 8.636 8.389 1.00 0.00 C ATOM 2024 OH TYR A 129 -11.854 8.932 9.641 1.00 0.00 O ATOM 0 H TYR A 129 -15.027 6.802 2.436 1.00 0.00 H new ATOM 0 HA TYR A 129 -14.244 5.649 4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -13.084 7.548 3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -14.470 8.576 4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -15.172 9.011 6.517 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -11.448 7.140 5.473 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.273 9.533 8.768 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -10.551 7.669 7.721 1.00 0.00 H new ATOM 0 HH TYR A 129 -11.261 8.210 9.936 1.00 0.00 H new ATOM 2034 N ASN A 130 -16.099 6.081 6.566 1.00 0.00 N ATOM 2035 CA ASN A 130 -17.251 6.303 7.491 1.00 0.00 C ATOM 2036 C ASN A 130 -16.928 7.463 8.436 1.00 0.00 C ATOM 2037 O ASN A 130 -15.914 7.470 9.105 1.00 0.00 O ATOM 2038 CB ASN A 130 -17.495 5.032 8.309 1.00 0.00 C ATOM 2039 CG ASN A 130 -18.637 5.267 9.298 1.00 0.00 C ATOM 2040 OD1 ASN A 130 -19.116 6.375 9.440 1.00 0.00 O ATOM 2041 ND2 ASN A 130 -19.098 4.263 9.993 1.00 0.00 N ATOM 0 H ASN A 130 -15.421 5.386 6.877 1.00 0.00 H new ATOM 0 HA ASN A 130 -18.144 6.543 6.913 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -17.740 4.203 7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -16.588 4.753 8.845 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -19.860 4.408 10.655 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -18.696 3.333 9.874 1.00 0.00 H new ATOM 2048 N GLU A 131 -17.785 8.450 8.488 1.00 0.00 N ATOM 2049 CA GLU A 131 -17.537 9.622 9.379 1.00 0.00 C ATOM 2050 C GLU A 131 -18.123 9.352 10.766 1.00 0.00 C ATOM 2051 O GLU A 131 -18.108 10.205 11.631 1.00 0.00 O ATOM 2052 CB GLU A 131 -18.202 10.863 8.778 1.00 0.00 C ATOM 2053 CG GLU A 131 -19.615 10.510 8.310 1.00 0.00 C ATOM 2054 CD GLU A 131 -20.400 11.795 8.035 1.00 0.00 C ATOM 2055 OE1 GLU A 131 -20.205 12.752 8.767 1.00 0.00 O ATOM 2056 OE2 GLU A 131 -21.180 11.800 7.098 1.00 0.00 O ATOM 0 H GLU A 131 -18.650 8.494 7.949 1.00 0.00 H new ATOM 0 HA GLU A 131 -16.463 9.787 9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -18.242 11.662 9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.612 11.235 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.569 9.900 7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -20.123 9.917 9.070 1.00 0.00 H new ATOM 2063 N LYS A 132 -18.638 8.177 10.988 1.00 0.00 N ATOM 2064 CA LYS A 132 -19.222 7.863 12.323 1.00 0.00 C ATOM 2065 C LYS A 132 -18.097 7.548 13.308 1.00 0.00 C ATOM 2066 O LYS A 132 -17.937 8.209 14.315 1.00 0.00 O ATOM 2067 CB LYS A 132 -20.148 6.651 12.208 1.00 0.00 C ATOM 2068 CG LYS A 132 -21.371 7.021 11.366 1.00 0.00 C ATOM 2069 CD LYS A 132 -22.288 5.804 11.235 1.00 0.00 C ATOM 2070 CE LYS A 132 -23.629 6.238 10.646 1.00 0.00 C ATOM 2071 NZ LYS A 132 -24.518 5.051 10.507 1.00 0.00 N ATOM 0 H LYS A 132 -18.681 7.420 10.305 1.00 0.00 H new ATOM 0 HA LYS A 132 -19.792 8.722 12.679 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -19.617 5.816 11.750 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -20.461 6.324 13.199 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -21.909 7.847 11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -21.057 7.361 10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -21.824 5.053 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -22.440 5.343 12.211 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -24.097 6.983 11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -23.477 6.707 9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -25.431 5.346 10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -24.072 4.355 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -24.673 4.622 11.442 1.00 0.00 H new ATOM 2085 N THR A 133 -17.313 6.541 13.026 1.00 0.00 N ATOM 2086 CA THR A 133 -16.194 6.175 13.945 1.00 0.00 C ATOM 2087 C THR A 133 -14.902 6.837 13.460 1.00 0.00 C ATOM 2088 O THR A 133 -13.865 6.727 14.083 1.00 0.00 O ATOM 2089 CB THR A 133 -16.014 4.655 13.946 1.00 0.00 C ATOM 2090 OG1 THR A 133 -15.774 4.207 12.619 1.00 0.00 O ATOM 2091 CG2 THR A 133 -17.278 3.990 14.492 1.00 0.00 C ATOM 0 H THR A 133 -17.399 5.954 12.196 1.00 0.00 H new ATOM 0 HA THR A 133 -16.424 6.517 14.954 1.00 0.00 H new ATOM 0 HB THR A 133 -15.166 4.389 14.577 1.00 0.00 H new ATOM 0 HG1 THR A 133 -15.657 3.234 12.618 1.00 0.00 H new ATOM 0 HG21 THR A 133 -17.149 2.908 14.492 1.00 0.00 H new ATOM 0 HG22 THR A 133 -17.459 4.334 15.510 1.00 0.00 H new ATOM 0 HG23 THR A 133 -18.128 4.254 13.863 1.00 0.00 H new ATOM 2099 N GLY A 134 -14.956 7.523 12.350 1.00 0.00 N ATOM 2100 CA GLY A 134 -13.730 8.189 11.827 1.00 0.00 C ATOM 2101 C GLY A 134 -12.752 7.128 11.319 1.00 0.00 C ATOM 2102 O GLY A 134 -11.571 7.174 11.596 1.00 0.00 O ATOM 0 H GLY A 134 -15.795 7.650 11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -13.991 8.874 11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -13.263 8.784 12.612 1.00 0.00 H new ATOM 2106 N VAL A 135 -13.238 6.167 10.576 1.00 0.00 N ATOM 2107 CA VAL A 135 -12.344 5.094 10.047 1.00 0.00 C ATOM 2108 C VAL A 135 -12.852 4.645 8.678 1.00 0.00 C ATOM 2109 O VAL A 135 -13.967 4.936 8.293 1.00 0.00 O ATOM 2110 CB VAL A 135 -12.368 3.896 11.004 1.00 0.00 C ATOM 2111 CG1 VAL A 135 -11.147 3.005 10.753 1.00 0.00 C ATOM 2112 CG2 VAL A 135 -12.342 4.395 12.451 1.00 0.00 C ATOM 0 H VAL A 135 -14.219 6.079 10.312 1.00 0.00 H new ATOM 0 HA VAL A 135 -11.327 5.477 9.959 1.00 0.00 H new ATOM 0 HB VAL A 135 -13.277 3.320 10.832 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -11.170 2.156 11.436 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -11.165 2.644 9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -10.236 3.580 10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -12.359 3.543 13.130 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -11.435 4.975 12.620 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -13.214 5.023 12.635 1.00 0.00 H new ATOM 2122 N TRP A 136 -12.051 3.925 7.944 1.00 0.00 N ATOM 2123 CA TRP A 136 -12.506 3.451 6.618 1.00 0.00 C ATOM 2124 C TRP A 136 -13.604 2.408 6.821 1.00 0.00 C ATOM 2125 O TRP A 136 -13.374 1.352 7.376 1.00 0.00 O ATOM 2126 CB TRP A 136 -11.318 2.857 5.849 1.00 0.00 C ATOM 2127 CG TRP A 136 -10.502 3.983 5.292 1.00 0.00 C ATOM 2128 CD1 TRP A 136 -9.320 4.414 5.785 1.00 0.00 C ATOM 2129 CD2 TRP A 136 -10.809 4.840 4.158 1.00 0.00 C ATOM 2130 NE1 TRP A 136 -8.885 5.484 5.021 1.00 0.00 N ATOM 2131 CE2 TRP A 136 -9.766 5.780 4.005 1.00 0.00 C ATOM 2132 CE3 TRP A 136 -11.880 4.886 3.256 1.00 0.00 C ATOM 2133 CZ2 TRP A 136 -9.786 6.740 2.993 1.00 0.00 C ATOM 2134 CZ3 TRP A 136 -11.908 5.849 2.231 1.00 0.00 C ATOM 2135 CH2 TRP A 136 -10.860 6.775 2.100 1.00 0.00 C ATOM 0 H TRP A 136 -11.106 3.648 8.208 1.00 0.00 H new ATOM 0 HA TRP A 136 -12.907 4.280 6.034 1.00 0.00 H new ATOM 0 HB2 TRP A 136 -10.710 2.239 6.510 1.00 0.00 H new ATOM 0 HB3 TRP A 136 -11.672 2.212 5.045 1.00 0.00 H new ATOM 0 HD1 TRP A 136 -8.801 3.994 6.634 1.00 0.00 H new ATOM 0 HE1 TRP A 136 -8.017 5.992 5.190 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -12.690 4.177 3.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 136 -8.978 7.450 2.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 136 -12.739 5.876 1.542 1.00 0.00 H new ATOM 0 HH2 TRP A 136 -10.884 7.512 1.311 1.00 0.00 H new ATOM 2146 N GLU A 137 -14.804 2.728 6.396 1.00 0.00 N ATOM 2147 CA GLU A 137 -15.969 1.802 6.562 1.00 0.00 C ATOM 2148 C GLU A 137 -15.518 0.347 6.408 1.00 0.00 C ATOM 2149 O GLU A 137 -15.187 -0.316 7.372 1.00 0.00 O ATOM 2150 CB GLU A 137 -17.028 2.130 5.499 1.00 0.00 C ATOM 2151 CG GLU A 137 -18.245 1.208 5.653 1.00 0.00 C ATOM 2152 CD GLU A 137 -18.871 1.405 7.036 1.00 0.00 C ATOM 2153 OE1 GLU A 137 -18.462 0.711 7.953 1.00 0.00 O ATOM 2154 OE2 GLU A 137 -19.746 2.244 7.153 1.00 0.00 O ATOM 0 H GLU A 137 -15.028 3.609 5.933 1.00 0.00 H new ATOM 0 HA GLU A 137 -16.391 1.933 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -17.338 3.171 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -16.600 2.015 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -18.979 1.426 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -17.944 0.168 5.524 1.00 0.00 H new ATOM 2161 N LYS A 138 -15.491 -0.147 5.200 1.00 0.00 N ATOM 2162 CA LYS A 138 -15.047 -1.554 4.959 1.00 0.00 C ATOM 2163 C LYS A 138 -13.630 -1.520 4.391 1.00 0.00 C ATOM 2164 O LYS A 138 -13.254 -0.588 3.708 1.00 0.00 O ATOM 2165 CB LYS A 138 -15.991 -2.221 3.952 1.00 0.00 C ATOM 2166 CG LYS A 138 -15.778 -3.737 3.978 1.00 0.00 C ATOM 2167 CD LYS A 138 -16.449 -4.374 2.758 1.00 0.00 C ATOM 2168 CE LYS A 138 -17.936 -4.016 2.738 1.00 0.00 C ATOM 2169 NZ LYS A 138 -18.494 -4.121 4.116 1.00 0.00 N ATOM 0 H LYS A 138 -15.760 0.367 4.361 1.00 0.00 H new ATOM 0 HA LYS A 138 -15.063 -2.121 5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -17.027 -1.984 4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -15.804 -1.834 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -14.712 -3.964 3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -16.194 -4.157 4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -15.969 -4.024 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -16.327 -5.457 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -18.072 -3.004 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -18.473 -4.685 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -19.517 -4.300 4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -18.031 -4.904 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -18.324 -3.232 4.628 1.00 0.00 H new ATOM 2183 N ARG A 139 -12.828 -2.514 4.666 1.00 0.00 N ATOM 2184 CA ARG A 139 -11.437 -2.493 4.130 1.00 0.00 C ATOM 2185 C ARG A 139 -10.864 -3.911 4.062 1.00 0.00 C ATOM 2186 O ARG A 139 -11.042 -4.711 4.959 1.00 0.00 O ATOM 2187 CB ARG A 139 -10.555 -1.638 5.042 1.00 0.00 C ATOM 2188 CG ARG A 139 -10.521 -2.248 6.444 1.00 0.00 C ATOM 2189 CD ARG A 139 -9.854 -1.270 7.410 1.00 0.00 C ATOM 2190 NE ARG A 139 -9.714 -1.912 8.747 1.00 0.00 N ATOM 2191 CZ ARG A 139 -8.922 -1.390 9.643 1.00 0.00 C ATOM 2192 NH1 ARG A 139 -8.253 -0.303 9.370 1.00 0.00 N ATOM 2193 NH2 ARG A 139 -8.800 -1.956 10.812 1.00 0.00 N ATOM 0 H ARG A 139 -13.071 -3.328 5.230 1.00 0.00 H new ATOM 0 HA ARG A 139 -11.457 -2.072 3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.545 -1.578 4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.941 -0.620 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.534 -2.473 6.779 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.974 -3.191 6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.875 -0.978 7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.449 -0.360 7.492 1.00 0.00 H new ATOM 0 HE ARG A 139 -10.238 -2.760 8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.349 0.139 8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -7.634 0.105 10.071 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.323 -2.805 11.024 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.181 -1.549 11.514 1.00 0.00 H new ATOM 2207 N LYS A 140 -10.161 -4.220 2.999 1.00 0.00 N ATOM 2208 CA LYS A 140 -9.548 -5.577 2.854 1.00 0.00 C ATOM 2209 C LYS A 140 -8.067 -5.492 3.237 1.00 0.00 C ATOM 2210 O LYS A 140 -7.512 -4.411 3.354 1.00 0.00 O ATOM 2211 CB LYS A 140 -9.683 -6.048 1.401 1.00 0.00 C ATOM 2212 CG LYS A 140 -11.053 -5.638 0.854 1.00 0.00 C ATOM 2213 CD LYS A 140 -11.346 -6.415 -0.431 1.00 0.00 C ATOM 2214 CE LYS A 140 -12.759 -6.087 -0.920 1.00 0.00 C ATOM 2215 NZ LYS A 140 -13.760 -6.601 0.058 1.00 0.00 N ATOM 0 H LYS A 140 -9.985 -3.585 2.220 1.00 0.00 H new ATOM 0 HA LYS A 140 -10.057 -6.288 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -8.891 -5.612 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -9.567 -7.130 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -11.826 -5.837 1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -11.071 -4.566 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -10.616 -6.157 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -11.253 -7.486 -0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -12.872 -5.009 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -12.929 -6.535 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -14.686 -6.690 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -13.457 -7.533 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -13.836 -5.940 0.857 1.00 0.00 H new ATOM 2229 N ILE A 141 -7.422 -6.619 3.439 1.00 0.00 N ATOM 2230 CA ILE A 141 -5.976 -6.607 3.828 1.00 0.00 C ATOM 2231 C ILE A 141 -5.215 -7.701 3.068 1.00 0.00 C ATOM 2232 O ILE A 141 -5.636 -8.837 3.005 1.00 0.00 O ATOM 2233 CB ILE A 141 -5.864 -6.858 5.343 1.00 0.00 C ATOM 2234 CG1 ILE A 141 -7.054 -6.201 6.052 1.00 0.00 C ATOM 2235 CG2 ILE A 141 -4.554 -6.262 5.875 1.00 0.00 C ATOM 2236 CD1 ILE A 141 -6.863 -6.280 7.569 1.00 0.00 C ATOM 0 H ILE A 141 -7.837 -7.547 3.351 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.542 -5.639 3.578 1.00 0.00 H new ATOM 0 HB ILE A 141 -5.869 -7.931 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -7.144 -5.160 5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -7.980 -6.700 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -4.481 -6.443 6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -3.709 -6.730 5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -4.540 -5.189 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -7.712 -5.812 8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -6.795 -7.324 7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -5.946 -5.760 7.848 1.00 0.00 H new ATOM 2248 N PHE A 142 -4.082 -7.362 2.504 1.00 0.00 N ATOM 2249 CA PHE A 142 -3.269 -8.372 1.757 1.00 0.00 C ATOM 2250 C PHE A 142 -1.783 -8.102 2.056 1.00 0.00 C ATOM 2251 O PHE A 142 -1.388 -6.971 2.270 1.00 0.00 O ATOM 2252 CB PHE A 142 -3.601 -8.260 0.241 1.00 0.00 C ATOM 2253 CG PHE A 142 -2.356 -8.022 -0.597 1.00 0.00 C ATOM 2254 CD1 PHE A 142 -1.351 -8.994 -0.644 1.00 0.00 C ATOM 2255 CD2 PHE A 142 -2.207 -6.827 -1.313 1.00 0.00 C ATOM 2256 CE1 PHE A 142 -0.199 -8.773 -1.405 1.00 0.00 C ATOM 2257 CE2 PHE A 142 -1.053 -6.604 -2.073 1.00 0.00 C ATOM 2258 CZ PHE A 142 -0.048 -7.577 -2.119 1.00 0.00 C ATOM 0 H PHE A 142 -3.683 -6.424 2.529 1.00 0.00 H new ATOM 0 HA PHE A 142 -3.499 -9.391 2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -4.093 -9.174 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -4.306 -7.444 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.465 -9.915 -0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -2.983 -6.077 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 142 0.575 -9.525 -1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -0.938 -5.682 -2.623 1.00 0.00 H new ATOM 0 HZ PHE A 142 0.843 -7.406 -2.704 1.00 0.00 H new ATOM 2268 N VAL A 143 -0.959 -9.129 2.096 1.00 0.00 N ATOM 2269 CA VAL A 143 0.495 -8.923 2.407 1.00 0.00 C ATOM 2270 C VAL A 143 1.388 -9.742 1.465 1.00 0.00 C ATOM 2271 O VAL A 143 1.189 -10.928 1.260 1.00 0.00 O ATOM 2272 CB VAL A 143 0.768 -9.358 3.850 1.00 0.00 C ATOM 2273 CG1 VAL A 143 2.185 -8.945 4.249 1.00 0.00 C ATOM 2274 CG2 VAL A 143 -0.239 -8.692 4.791 1.00 0.00 C ATOM 0 H VAL A 143 -1.231 -10.097 1.927 1.00 0.00 H new ATOM 0 HA VAL A 143 0.726 -7.866 2.273 1.00 0.00 H new ATOM 0 HB VAL A 143 0.669 -10.441 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 143 2.379 -9.255 5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.904 -9.423 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.284 -7.862 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -0.041 -9.005 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.145 -7.609 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.250 -8.988 4.511 1.00 0.00 H new ATOM 2284 N ALA A 144 2.397 -9.110 0.912 1.00 0.00 N ATOM 2285 CA ALA A 144 3.352 -9.819 0.007 1.00 0.00 C ATOM 2286 C ALA A 144 4.659 -10.045 0.773 1.00 0.00 C ATOM 2287 O ALA A 144 4.777 -9.675 1.924 1.00 0.00 O ATOM 2288 CB ALA A 144 3.628 -8.954 -1.227 1.00 0.00 C ATOM 0 H ALA A 144 2.600 -8.120 1.053 1.00 0.00 H new ATOM 0 HA ALA A 144 2.930 -10.772 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 144 4.325 -9.472 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 144 2.694 -8.770 -1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 144 4.062 -8.004 -0.916 1.00 0.00 H new ATOM 2294 N THR A 145 5.650 -10.630 0.150 1.00 0.00 N ATOM 2295 CA THR A 145 6.952 -10.857 0.856 1.00 0.00 C ATOM 2296 C THR A 145 8.104 -10.700 -0.140 1.00 0.00 C ATOM 2297 O THR A 145 8.013 -11.111 -1.279 1.00 0.00 O ATOM 2298 CB THR A 145 6.976 -12.266 1.466 1.00 0.00 C ATOM 2299 OG1 THR A 145 8.093 -12.381 2.336 1.00 0.00 O ATOM 2300 CG2 THR A 145 7.084 -13.318 0.361 1.00 0.00 C ATOM 0 H THR A 145 5.616 -10.960 -0.814 1.00 0.00 H new ATOM 0 HA THR A 145 7.063 -10.125 1.656 1.00 0.00 H new ATOM 0 HB THR A 145 6.053 -12.429 2.022 1.00 0.00 H new ATOM 0 HG1 THR A 145 8.111 -13.279 2.729 1.00 0.00 H new ATOM 0 HG21 THR A 145 7.100 -14.313 0.806 1.00 0.00 H new ATOM 0 HG22 THR A 145 6.227 -13.233 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.002 -13.159 -0.205 1.00 0.00 H new ATOM 2308 N GLU A 146 9.186 -10.104 0.284 1.00 0.00 N ATOM 2309 CA GLU A 146 10.343 -9.917 -0.637 1.00 0.00 C ATOM 2310 C GLU A 146 10.802 -11.277 -1.165 1.00 0.00 C ATOM 2311 O GLU A 146 10.713 -12.280 -0.485 1.00 0.00 O ATOM 2312 CB GLU A 146 11.493 -9.250 0.120 1.00 0.00 C ATOM 2313 CG GLU A 146 12.570 -8.806 -0.872 1.00 0.00 C ATOM 2314 CD GLU A 146 13.718 -8.137 -0.114 1.00 0.00 C ATOM 2315 OE1 GLU A 146 13.620 -8.031 1.098 1.00 0.00 O ATOM 2316 OE2 GLU A 146 14.676 -7.741 -0.757 1.00 0.00 O ATOM 0 H GLU A 146 9.318 -9.739 1.227 1.00 0.00 H new ATOM 0 HA GLU A 146 10.043 -9.286 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 146 11.123 -8.391 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 146 11.916 -9.945 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 146 12.941 -9.665 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 146 12.147 -8.112 -1.598 1.00 0.00 H new ATOM 2323 N VAL A 147 11.288 -11.321 -2.377 1.00 0.00 N ATOM 2324 CA VAL A 147 11.750 -12.612 -2.959 1.00 0.00 C ATOM 2325 C VAL A 147 13.240 -12.801 -2.668 1.00 0.00 C ATOM 2326 O VAL A 147 13.908 -11.906 -2.190 1.00 0.00 O ATOM 2327 CB VAL A 147 11.528 -12.582 -4.471 1.00 0.00 C ATOM 2328 CG1 VAL A 147 10.060 -12.271 -4.766 1.00 0.00 C ATOM 2329 CG2 VAL A 147 12.414 -11.502 -5.098 1.00 0.00 C ATOM 0 H VAL A 147 11.385 -10.513 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 147 11.190 -13.436 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 147 11.786 -13.553 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 147 9.902 -12.250 -5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 147 9.429 -13.041 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 147 9.801 -11.301 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 147 12.255 -11.482 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 147 12.158 -10.531 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 147 13.461 -11.724 -4.890 1.00 0.00 H new