USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 676 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 63 HIS : no HD1:sc= 1.03 K(o=2.3,f=-4.6!) USER MOD Set 1.2: A 65 TYR OH : rot 92:sc= 1.24 USER MOD Set 2.1: A 23 ASN : amide:sc= 0 K(o=-0.57,f=-1.2) USER MOD Set 2.2: A 92 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.091) USER MOD Set 3.1: A 19 ASN : amide:sc= 0.892 K(o=2.9,f=-0.6) USER MOD Set 3.2: A 56 SER OG : rot 93:sc= 2.01 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0646) USER MOD Single : A 20 THR OG1 : rot 80:sc= -1.66! USER MOD Single : A 24 SER OG : rot 34:sc= 0.0525 USER MOD Single : A 25 MET CE :methyl 162:sc= -0.305 (180deg=-0.994) USER MOD Single : A 27 MET CE :methyl -163:sc= -0.126 (180deg=-0.587) USER MOD Single : A 28 THR OG1 : rot -150:sc= 0.931 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0028 USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= -0.485 (180deg=-0.585) USER MOD Single : A 37 THR OG1 : rot 29:sc= 0.128 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0871 K(o=-0.087,f=-1.6) USER MOD Single : A 43 SER OG : rot -40:sc= 0.834 USER MOD Single : A 45 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.0028) USER MOD Single : A 47 ASN : amide:sc=-0.00225 X(o=-0.0022,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 32:sc= 0.436 USER MOD Single : A 68 LYS NZ :NH3+ -109:sc= 1.31 (180deg=0.607) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.746) USER MOD Single : A 81 SER OG : rot 143:sc= 1.17 USER MOD Single : A 86 THR OG1 : rot -36:sc= 1.25 USER MOD Single : A 88 GLN : amide:sc= 0.645 K(o=0.64,f=-0.56) USER MOD Single : A 91 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 111 N ASP A 8 -15.791 2.820 -11.825 1.00 0.00 N ATOM 112 CA ASP A 8 -14.879 2.437 -10.756 1.00 0.00 C ATOM 113 C ASP A 8 -13.616 1.779 -11.315 1.00 0.00 C ATOM 114 O ASP A 8 -13.575 0.575 -11.562 1.00 0.00 O ATOM 115 CB ASP A 8 -15.575 1.527 -9.722 1.00 0.00 C ATOM 116 CG ASP A 8 -16.128 0.237 -10.299 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.252 0.253 -10.839 1.00 0.00 O ATOM 118 OD2 ASP A 8 -15.455 -0.812 -10.188 1.00 0.00 O ATOM 0 HA ASP A 8 -14.576 3.348 -10.239 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.864 1.283 -8.933 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.390 2.082 -9.257 1.00 0.00 H new ATOM 123 N PRO A 9 -12.566 2.575 -11.545 1.00 0.00 N ATOM 124 CA PRO A 9 -11.289 2.071 -12.048 1.00 0.00 C ATOM 125 C PRO A 9 -10.439 1.421 -10.952 1.00 0.00 C ATOM 126 O PRO A 9 -10.758 1.503 -9.762 1.00 0.00 O ATOM 127 CB PRO A 9 -10.610 3.332 -12.579 1.00 0.00 C ATOM 128 CG PRO A 9 -11.142 4.433 -11.728 1.00 0.00 C ATOM 129 CD PRO A 9 -12.548 4.039 -11.356 1.00 0.00 C ATOM 0 HA PRO A 9 -11.421 1.288 -12.795 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.525 3.260 -12.502 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.845 3.495 -13.631 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.528 4.568 -10.838 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.134 5.380 -12.267 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.781 4.312 -10.327 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.283 4.533 -11.991 1.00 0.00 H new ATOM 137 N THR A 10 -9.367 0.759 -11.369 1.00 0.00 N ATOM 138 CA THR A 10 -8.421 0.149 -10.444 1.00 0.00 C ATOM 139 C THR A 10 -7.145 0.980 -10.380 1.00 0.00 C ATOM 140 O THR A 10 -6.323 0.937 -11.298 1.00 0.00 O ATOM 141 CB THR A 10 -8.065 -1.285 -10.892 1.00 0.00 C ATOM 142 OG1 THR A 10 -9.265 -2.009 -11.206 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.285 -2.022 -9.810 1.00 0.00 C ATOM 0 H THR A 10 -9.130 0.630 -12.353 1.00 0.00 H new ATOM 0 HA THR A 10 -8.887 0.110 -9.460 1.00 0.00 H new ATOM 0 HB THR A 10 -7.436 -1.218 -11.779 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.034 -2.918 -11.491 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.048 -3.029 -10.154 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.361 -1.485 -9.598 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.887 -2.080 -8.903 1.00 0.00 H new ATOM 151 N LEU A 11 -6.977 1.743 -9.311 1.00 0.00 N ATOM 152 CA LEU A 11 -5.799 2.579 -9.173 1.00 0.00 C ATOM 153 C LEU A 11 -4.644 1.767 -8.622 1.00 0.00 C ATOM 154 O LEU A 11 -4.805 0.992 -7.678 1.00 0.00 O ATOM 155 CB LEU A 11 -6.074 3.782 -8.270 1.00 0.00 C ATOM 156 CG LEU A 11 -7.207 4.693 -8.731 1.00 0.00 C ATOM 157 CD1 LEU A 11 -7.458 5.790 -7.709 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.888 5.294 -10.089 1.00 0.00 C ATOM 0 H LEU A 11 -7.636 1.800 -8.534 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.535 2.953 -10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.305 3.419 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.162 4.374 -8.192 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.113 4.095 -8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.270 6.430 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.731 5.342 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.554 6.386 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.707 5.941 -10.402 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.970 5.878 -10.022 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.757 4.495 -10.819 1.00 0.00 H new ATOM 170 N THR A 12 -3.485 1.933 -9.222 1.00 0.00 N ATOM 171 CA THR A 12 -2.311 1.182 -8.831 1.00 0.00 C ATOM 172 C THR A 12 -1.296 2.101 -8.163 1.00 0.00 C ATOM 173 O THR A 12 -0.628 2.895 -8.832 1.00 0.00 O ATOM 174 CB THR A 12 -1.677 0.489 -10.048 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.700 -0.187 -10.793 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.614 -0.511 -9.616 1.00 0.00 C ATOM 0 H THR A 12 -3.330 2.587 -9.989 1.00 0.00 H new ATOM 0 HA THR A 12 -2.617 0.415 -8.119 1.00 0.00 H new ATOM 0 HB THR A 12 -1.200 1.246 -10.670 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.300 -0.629 -11.571 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.182 -0.986 -10.497 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.169 0.007 -9.063 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.067 -1.271 -8.979 1.00 0.00 H new ATOM 184 N LEU A 13 -1.203 2.004 -6.847 1.00 0.00 N ATOM 185 CA LEU A 13 -0.318 2.867 -6.079 1.00 0.00 C ATOM 186 C LEU A 13 0.916 2.095 -5.636 1.00 0.00 C ATOM 187 O LEU A 13 0.895 0.867 -5.563 1.00 0.00 O ATOM 188 CB LEU A 13 -1.048 3.428 -4.855 1.00 0.00 C ATOM 189 CG LEU A 13 -2.370 4.142 -5.148 1.00 0.00 C ATOM 190 CD1 LEU A 13 -2.980 4.677 -3.864 1.00 0.00 C ATOM 191 CD2 LEU A 13 -2.164 5.269 -6.147 1.00 0.00 C ATOM 0 H LEU A 13 -1.731 1.335 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.009 3.697 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.243 2.609 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.383 4.125 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.059 3.419 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.919 5.182 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.168 3.851 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.291 5.383 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.116 5.762 -6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.457 5.992 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.770 4.862 -7.078 1.00 0.00 H new ATOM 203 N SER A 14 1.985 2.811 -5.340 1.00 0.00 N ATOM 204 CA SER A 14 3.227 2.184 -4.918 1.00 0.00 C ATOM 205 C SER A 14 3.260 2.053 -3.397 1.00 0.00 C ATOM 206 O SER A 14 2.757 2.925 -2.681 1.00 0.00 O ATOM 207 CB SER A 14 4.412 3.021 -5.400 1.00 0.00 C ATOM 208 OG SER A 14 4.263 3.374 -6.769 1.00 0.00 O ATOM 0 H SER A 14 2.020 3.829 -5.384 1.00 0.00 H new ATOM 0 HA SER A 14 3.291 1.187 -5.354 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.494 3.924 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.337 2.461 -5.264 1.00 0.00 H new ATOM 0 HG SER A 14 5.032 3.910 -7.054 1.00 0.00 H new ATOM 214 N LEU A 15 3.835 0.960 -2.908 1.00 0.00 N ATOM 215 CA LEU A 15 3.960 0.738 -1.475 1.00 0.00 C ATOM 216 C LEU A 15 5.303 1.266 -0.977 1.00 0.00 C ATOM 217 O LEU A 15 6.340 1.023 -1.595 1.00 0.00 O ATOM 218 CB LEU A 15 3.823 -0.754 -1.153 1.00 0.00 C ATOM 219 CG LEU A 15 3.844 -1.114 0.337 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.643 -0.517 1.054 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.875 -2.624 0.518 1.00 0.00 C ATOM 0 H LEU A 15 4.222 0.213 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 15 3.161 1.277 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.889 -1.116 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.632 -1.290 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 15 4.748 -0.692 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.679 -0.786 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.663 0.568 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.725 -0.905 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.890 -2.863 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.989 -3.064 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.768 -3.029 0.043 1.00 0.00 H new ATOM 233 N ILE A 16 5.274 2.007 0.122 1.00 0.00 N ATOM 234 CA ILE A 16 6.487 2.552 0.716 1.00 0.00 C ATOM 235 C ILE A 16 6.520 2.294 2.220 1.00 0.00 C ATOM 236 O ILE A 16 5.494 1.991 2.836 1.00 0.00 O ATOM 237 CB ILE A 16 6.625 4.072 0.467 1.00 0.00 C ATOM 238 CG1 ILE A 16 5.403 4.818 1.015 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.812 4.357 -1.017 1.00 0.00 C ATOM 240 CD1 ILE A 16 5.525 6.325 0.940 1.00 0.00 C ATOM 0 H ILE A 16 4.418 2.246 0.623 1.00 0.00 H new ATOM 0 HA ILE A 16 7.322 2.043 0.234 1.00 0.00 H new ATOM 0 HB ILE A 16 7.509 4.430 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.519 4.506 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.246 4.526 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.907 5.432 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.713 3.858 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.949 3.986 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.623 6.784 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.389 6.649 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.651 6.629 -0.099 1.00 0.00 H new ATOM 252 N ALA A 17 7.701 2.415 2.802 1.00 0.00 N ATOM 253 CA ALA A 17 7.879 2.237 4.233 1.00 0.00 C ATOM 254 C ALA A 17 7.879 3.587 4.935 1.00 0.00 C ATOM 255 O ALA A 17 8.644 4.484 4.571 1.00 0.00 O ATOM 256 CB ALA A 17 9.173 1.491 4.512 1.00 0.00 C ATOM 0 H ALA A 17 8.560 2.638 2.299 1.00 0.00 H new ATOM 0 HA ALA A 17 7.049 1.646 4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.295 1.364 5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.140 0.513 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.014 2.061 4.116 1.00 0.00 H new ATOM 262 N LYS A 18 7.023 3.734 5.936 1.00 0.00 N ATOM 263 CA LYS A 18 6.890 4.996 6.644 1.00 0.00 C ATOM 264 C LYS A 18 7.113 4.779 8.137 1.00 0.00 C ATOM 265 O LYS A 18 6.684 3.763 8.691 1.00 0.00 O ATOM 266 CB LYS A 18 5.504 5.593 6.380 1.00 0.00 C ATOM 267 CG LYS A 18 5.377 7.065 6.738 1.00 0.00 C ATOM 268 CD LYS A 18 4.020 7.608 6.318 1.00 0.00 C ATOM 269 CE LYS A 18 3.883 9.097 6.591 1.00 0.00 C ATOM 270 NZ LYS A 18 4.016 9.421 8.036 1.00 0.00 N ATOM 0 H LYS A 18 6.410 2.993 6.276 1.00 0.00 H new ATOM 0 HA LYS A 18 7.643 5.697 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.262 5.466 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.764 5.028 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.509 7.195 7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.168 7.633 6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.870 7.421 5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.236 7.070 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.643 9.639 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.914 9.442 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.782 10.423 8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.366 8.825 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.993 9.243 8.343 1.00 0.00 H new ATOM 284 N ASN A 19 7.817 5.720 8.768 1.00 0.00 N ATOM 285 CA ASN A 19 8.164 5.633 10.191 1.00 0.00 C ATOM 286 C ASN A 19 9.088 4.450 10.446 1.00 0.00 C ATOM 287 O ASN A 19 9.241 3.994 11.580 1.00 0.00 O ATOM 288 CB ASN A 19 6.909 5.523 11.067 1.00 0.00 C ATOM 289 CG ASN A 19 6.133 6.824 11.160 1.00 0.00 C ATOM 290 OD1 ASN A 19 6.139 7.639 10.238 1.00 0.00 O ATOM 291 ND2 ASN A 19 5.442 7.021 12.270 1.00 0.00 N ATOM 0 H ASN A 19 8.163 6.563 8.310 1.00 0.00 H new ATOM 0 HA ASN A 19 8.685 6.552 10.460 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.259 4.747 10.664 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.199 5.207 12.069 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.890 7.871 12.383 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.461 6.323 13.013 1.00 0.00 H new ATOM 298 N THR A 20 9.718 3.975 9.382 1.00 0.00 N ATOM 299 CA THR A 20 10.601 2.828 9.455 1.00 0.00 C ATOM 300 C THR A 20 12.004 3.249 9.897 1.00 0.00 C ATOM 301 O THR A 20 12.650 4.073 9.247 1.00 0.00 O ATOM 302 CB THR A 20 10.662 2.118 8.089 1.00 0.00 C ATOM 303 OG1 THR A 20 9.332 1.784 7.673 1.00 0.00 O ATOM 304 CG2 THR A 20 11.511 0.856 8.155 1.00 0.00 C ATOM 0 H THR A 20 9.630 4.375 8.448 1.00 0.00 H new ATOM 0 HA THR A 20 10.204 2.135 10.197 1.00 0.00 H new ATOM 0 HB THR A 20 11.123 2.794 7.369 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.899 2.577 7.293 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.532 0.380 7.175 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.526 1.116 8.455 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.083 0.167 8.883 1.00 0.00 H new ATOM 312 N PRO A 21 12.481 2.697 11.024 1.00 0.00 N ATOM 313 CA PRO A 21 13.791 3.036 11.572 1.00 0.00 C ATOM 314 C PRO A 21 14.940 2.384 10.802 1.00 0.00 C ATOM 315 O PRO A 21 14.723 1.615 9.860 1.00 0.00 O ATOM 316 CB PRO A 21 13.725 2.507 13.005 1.00 0.00 C ATOM 317 CG PRO A 21 12.730 1.394 12.968 1.00 0.00 C ATOM 318 CD PRO A 21 11.775 1.694 11.843 1.00 0.00 C ATOM 0 HA PRO A 21 13.992 4.105 11.510 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.700 2.152 13.339 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.416 3.288 13.699 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.227 0.437 12.807 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.198 1.321 13.916 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.547 0.798 11.266 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.828 2.082 12.218 1.00 0.00 H new ATOM 326 N ALA A 22 16.164 2.691 11.213 1.00 0.00 N ATOM 327 CA ALA A 22 17.351 2.182 10.539 1.00 0.00 C ATOM 328 C ALA A 22 17.704 0.779 11.021 1.00 0.00 C ATOM 329 O ALA A 22 18.495 0.082 10.392 1.00 0.00 O ATOM 330 CB ALA A 22 18.523 3.126 10.759 1.00 0.00 C ATOM 0 H ALA A 22 16.361 3.292 12.013 1.00 0.00 H new ATOM 0 HA ALA A 22 17.135 2.124 9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.405 2.736 10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.278 4.109 10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.727 3.210 11.826 1.00 0.00 H new ATOM 336 N ASN A 23 17.108 0.368 12.134 1.00 0.00 N ATOM 337 CA ASN A 23 17.403 -0.937 12.723 1.00 0.00 C ATOM 338 C ASN A 23 16.693 -2.056 11.973 1.00 0.00 C ATOM 339 O ASN A 23 17.048 -3.226 12.105 1.00 0.00 O ATOM 340 CB ASN A 23 17.001 -0.972 14.199 1.00 0.00 C ATOM 341 CG ASN A 23 17.815 -0.017 15.046 1.00 0.00 C ATOM 342 OD1 ASN A 23 18.969 0.279 14.733 1.00 0.00 O ATOM 343 ND2 ASN A 23 17.224 0.467 16.125 1.00 0.00 N ATOM 0 H ASN A 23 16.418 0.917 12.648 1.00 0.00 H new ATOM 0 HA ASN A 23 18.479 -1.093 12.643 1.00 0.00 H new ATOM 0 HB2 ASN A 23 15.944 -0.722 14.290 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.123 -1.985 14.581 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.726 1.112 16.735 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.266 0.195 16.347 1.00 0.00 H new ATOM 350 N SER A 24 15.708 -1.689 11.176 1.00 0.00 N ATOM 351 CA SER A 24 14.900 -2.660 10.469 1.00 0.00 C ATOM 352 C SER A 24 15.190 -2.604 8.977 1.00 0.00 C ATOM 353 O SER A 24 14.901 -1.606 8.311 1.00 0.00 O ATOM 354 CB SER A 24 13.420 -2.400 10.746 1.00 0.00 C ATOM 355 OG SER A 24 13.116 -1.024 10.602 1.00 0.00 O ATOM 0 H SER A 24 15.448 -0.718 11.002 1.00 0.00 H new ATOM 0 HA SER A 24 15.150 -3.660 10.824 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.808 -2.986 10.060 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.171 -2.729 11.755 1.00 0.00 H new ATOM 0 HG SER A 24 13.668 -0.640 9.889 1.00 0.00 H new ATOM 361 N MET A 25 15.772 -3.671 8.461 1.00 0.00 N ATOM 362 CA MET A 25 16.106 -3.749 7.052 1.00 0.00 C ATOM 363 C MET A 25 15.090 -4.627 6.335 1.00 0.00 C ATOM 364 O MET A 25 14.870 -5.774 6.715 1.00 0.00 O ATOM 365 CB MET A 25 17.519 -4.305 6.886 1.00 0.00 C ATOM 366 CG MET A 25 17.960 -4.448 5.437 1.00 0.00 C ATOM 367 SD MET A 25 19.611 -5.158 5.274 1.00 0.00 S ATOM 368 CE MET A 25 19.366 -6.755 6.052 1.00 0.00 C ATOM 0 H MET A 25 16.024 -4.499 9.000 1.00 0.00 H new ATOM 0 HA MET A 25 16.075 -2.752 6.612 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.219 -3.651 7.406 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.574 -5.280 7.370 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.245 -5.076 4.905 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.942 -3.469 4.958 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.170 -7.430 5.759 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.369 -6.636 7.135 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.410 -7.171 5.735 1.00 0.00 H new ATOM 378 N ILE A 26 14.461 -4.074 5.313 1.00 0.00 N ATOM 379 CA ILE A 26 13.371 -4.756 4.632 1.00 0.00 C ATOM 380 C ILE A 26 13.898 -5.667 3.533 1.00 0.00 C ATOM 381 O ILE A 26 14.557 -5.209 2.600 1.00 0.00 O ATOM 382 CB ILE A 26 12.380 -3.744 4.021 1.00 0.00 C ATOM 383 CG1 ILE A 26 12.010 -2.682 5.059 1.00 0.00 C ATOM 384 CG2 ILE A 26 11.132 -4.459 3.520 1.00 0.00 C ATOM 385 CD1 ILE A 26 11.074 -1.616 4.536 1.00 0.00 C ATOM 0 H ILE A 26 14.685 -3.154 4.935 1.00 0.00 H new ATOM 0 HA ILE A 26 12.852 -5.359 5.377 1.00 0.00 H new ATOM 0 HB ILE A 26 12.857 -3.253 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.546 -3.171 5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.922 -2.206 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.443 -3.731 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.411 -5.187 2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.648 -4.972 4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.858 -0.900 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.543 -1.099 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 26 10.145 -2.079 4.203 1.00 0.00 H new ATOM 397 N MET A 27 13.615 -6.957 3.658 1.00 0.00 N ATOM 398 CA MET A 27 14.020 -7.923 2.648 1.00 0.00 C ATOM 399 C MET A 27 12.908 -8.119 1.624 1.00 0.00 C ATOM 400 O MET A 27 13.168 -8.401 0.454 1.00 0.00 O ATOM 401 CB MET A 27 14.383 -9.262 3.295 1.00 0.00 C ATOM 402 CG MET A 27 15.574 -9.184 4.237 1.00 0.00 C ATOM 403 SD MET A 27 17.057 -8.543 3.432 1.00 0.00 S ATOM 404 CE MET A 27 17.249 -9.717 2.092 1.00 0.00 C ATOM 0 H MET A 27 13.108 -7.357 4.447 1.00 0.00 H new ATOM 0 HA MET A 27 14.902 -7.535 2.139 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.520 -9.635 3.846 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.599 -9.988 2.511 1.00 0.00 H new ATOM 0 HG2 MET A 27 15.321 -8.547 5.084 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.782 -10.177 4.636 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.260 -9.650 1.691 1.00 0.00 H new ATOM 0 HE2 MET A 27 17.073 -10.726 2.464 1.00 0.00 H new ATOM 0 HE3 MET A 27 16.531 -9.490 1.304 1.00 0.00 H new ATOM 414 N THR A 28 11.668 -7.969 2.074 1.00 0.00 N ATOM 415 CA THR A 28 10.517 -8.056 1.189 1.00 0.00 C ATOM 416 C THR A 28 10.440 -6.820 0.297 1.00 0.00 C ATOM 417 O THR A 28 10.082 -5.736 0.756 1.00 0.00 O ATOM 418 CB THR A 28 9.204 -8.193 1.989 1.00 0.00 C ATOM 419 OG1 THR A 28 9.283 -9.321 2.869 1.00 0.00 O ATOM 420 CG2 THR A 28 8.007 -8.355 1.063 1.00 0.00 C ATOM 0 H THR A 28 11.435 -7.786 3.050 1.00 0.00 H new ATOM 0 HA THR A 28 10.642 -8.945 0.571 1.00 0.00 H new ATOM 0 HB THR A 28 9.069 -7.281 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.387 -9.695 3.003 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.098 -8.449 1.657 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.928 -7.483 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.137 -9.250 0.454 1.00 0.00 H new ATOM 428 N LYS A 29 10.794 -6.990 -0.968 1.00 0.00 N ATOM 429 CA LYS A 29 10.789 -5.888 -1.919 1.00 0.00 C ATOM 430 C LYS A 29 9.367 -5.390 -2.147 1.00 0.00 C ATOM 431 O LYS A 29 8.452 -6.175 -2.421 1.00 0.00 O ATOM 432 CB LYS A 29 11.451 -6.321 -3.231 1.00 0.00 C ATOM 433 CG LYS A 29 12.894 -6.765 -3.036 1.00 0.00 C ATOM 434 CD LYS A 29 13.524 -7.268 -4.324 1.00 0.00 C ATOM 435 CE LYS A 29 14.931 -7.787 -4.072 1.00 0.00 C ATOM 436 NZ LYS A 29 15.556 -8.347 -5.300 1.00 0.00 N ATOM 0 H LYS A 29 11.089 -7.884 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 29 11.367 -5.060 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.879 -7.138 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.421 -5.493 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.479 -5.930 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.930 -7.554 -2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.910 -8.062 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.555 -6.462 -5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.551 -6.977 -3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.899 -8.556 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.513 -8.688 -5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.980 -9.138 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.612 -7.607 -6.029 1.00 0.00 H new ATOM 450 N LEU A 30 9.195 -4.083 -2.026 1.00 0.00 N ATOM 451 CA LEU A 30 7.876 -3.465 -2.019 1.00 0.00 C ATOM 452 C LEU A 30 7.234 -3.483 -3.402 1.00 0.00 C ATOM 453 O LEU A 30 7.845 -3.078 -4.392 1.00 0.00 O ATOM 454 CB LEU A 30 7.976 -2.027 -1.503 1.00 0.00 C ATOM 455 CG LEU A 30 8.572 -1.883 -0.099 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.703 -0.417 0.279 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.719 -2.622 0.923 1.00 0.00 C ATOM 0 H LEU A 30 9.964 -3.420 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 30 7.239 -4.048 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.582 -1.448 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.979 -1.586 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 30 9.567 -2.327 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.128 -0.336 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.356 0.086 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.719 0.052 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.158 -2.508 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.711 -2.208 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.676 -3.680 0.664 1.00 0.00 H new ATOM 469 N PRO A 31 5.995 -3.992 -3.482 1.00 0.00 N ATOM 470 CA PRO A 31 5.214 -4.023 -4.707 1.00 0.00 C ATOM 471 C PRO A 31 4.242 -2.845 -4.809 1.00 0.00 C ATOM 472 O PRO A 31 4.386 -1.837 -4.114 1.00 0.00 O ATOM 473 CB PRO A 31 4.446 -5.332 -4.548 1.00 0.00 C ATOM 474 CG PRO A 31 4.223 -5.475 -3.071 1.00 0.00 C ATOM 475 CD PRO A 31 5.254 -4.612 -2.375 1.00 0.00 C ATOM 0 HA PRO A 31 5.827 -3.955 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.500 -5.303 -5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.014 -6.173 -4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.214 -5.161 -2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.324 -6.517 -2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.784 -3.862 -1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.909 -5.206 -1.738 1.00 0.00 H new ATOM 483 N SER A 32 3.261 -2.981 -5.686 1.00 0.00 N ATOM 484 CA SER A 32 2.206 -1.996 -5.816 1.00 0.00 C ATOM 485 C SER A 32 0.922 -2.514 -5.170 1.00 0.00 C ATOM 486 O SER A 32 0.758 -3.721 -4.976 1.00 0.00 O ATOM 487 CB SER A 32 1.973 -1.685 -7.296 1.00 0.00 C ATOM 488 OG SER A 32 1.807 -2.878 -8.049 1.00 0.00 O ATOM 0 H SER A 32 3.176 -3.773 -6.323 1.00 0.00 H new ATOM 0 HA SER A 32 2.503 -1.080 -5.305 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.089 -1.057 -7.404 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.817 -1.118 -7.689 1.00 0.00 H new ATOM 0 HG SER A 32 1.658 -2.652 -8.991 1.00 0.00 H new ATOM 494 N VAL A 33 0.027 -1.604 -4.820 1.00 0.00 N ATOM 495 CA VAL A 33 -1.260 -1.978 -4.258 1.00 0.00 C ATOM 496 C VAL A 33 -2.371 -1.646 -5.244 1.00 0.00 C ATOM 497 O VAL A 33 -2.230 -0.738 -6.069 1.00 0.00 O ATOM 498 CB VAL A 33 -1.537 -1.272 -2.911 1.00 0.00 C ATOM 499 CG1 VAL A 33 -0.485 -1.652 -1.879 1.00 0.00 C ATOM 500 CG2 VAL A 33 -1.593 0.238 -3.089 1.00 0.00 C ATOM 0 H VAL A 33 0.169 -0.599 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.233 -3.051 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.509 -1.606 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.698 -1.144 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.503 -2.730 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.500 -1.354 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.789 0.711 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.640 0.594 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.390 0.493 -3.787 1.00 0.00 H new ATOM 510 N ARG A 34 -3.467 -2.379 -5.168 1.00 0.00 N ATOM 511 CA ARG A 34 -4.573 -2.174 -6.084 1.00 0.00 C ATOM 512 C ARG A 34 -5.775 -1.639 -5.338 1.00 0.00 C ATOM 513 O ARG A 34 -6.529 -2.397 -4.724 1.00 0.00 O ATOM 514 CB ARG A 34 -4.940 -3.476 -6.793 1.00 0.00 C ATOM 515 CG ARG A 34 -3.773 -4.116 -7.518 1.00 0.00 C ATOM 516 CD ARG A 34 -4.190 -5.385 -8.235 1.00 0.00 C ATOM 517 NE ARG A 34 -3.035 -6.103 -8.758 1.00 0.00 N ATOM 518 CZ ARG A 34 -3.093 -7.308 -9.314 1.00 0.00 C ATOM 519 NH1 ARG A 34 -4.269 -7.886 -9.532 1.00 0.00 N ATOM 520 NH2 ARG A 34 -1.973 -7.922 -9.678 1.00 0.00 N ATOM 0 H ARG A 34 -3.614 -3.120 -4.483 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.263 -1.447 -6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.334 -4.181 -6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.739 -3.279 -7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.360 -3.410 -8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.981 -4.344 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.740 -6.029 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.867 -5.137 -9.052 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.123 -5.651 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.130 -7.404 -9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.311 -8.811 -9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.071 -7.468 -9.530 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.014 -8.847 -10.105 1.00 0.00 H new ATOM 534 N VAL A 35 -5.951 -0.333 -5.378 1.00 0.00 N ATOM 535 CA VAL A 35 -7.064 0.282 -4.693 1.00 0.00 C ATOM 536 C VAL A 35 -8.212 0.519 -5.663 1.00 0.00 C ATOM 537 O VAL A 35 -8.141 1.357 -6.565 1.00 0.00 O ATOM 538 CB VAL A 35 -6.669 1.590 -3.963 1.00 0.00 C ATOM 539 CG1 VAL A 35 -5.752 1.286 -2.790 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.004 2.581 -4.902 1.00 0.00 C ATOM 0 H VAL A 35 -5.341 0.316 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.392 -0.412 -3.919 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.586 2.047 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.484 2.215 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.265 0.629 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.849 0.795 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.742 3.485 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.101 2.136 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.691 2.834 -5.710 1.00 0.00 H new ATOM 550 N LYS A 36 -9.249 -0.277 -5.500 1.00 0.00 N ATOM 551 CA LYS A 36 -10.452 -0.138 -6.294 1.00 0.00 C ATOM 552 C LYS A 36 -11.227 1.069 -5.798 1.00 0.00 C ATOM 553 O LYS A 36 -11.420 1.221 -4.598 1.00 0.00 O ATOM 554 CB LYS A 36 -11.295 -1.409 -6.172 1.00 0.00 C ATOM 555 CG LYS A 36 -10.597 -2.648 -6.708 1.00 0.00 C ATOM 556 CD LYS A 36 -10.519 -2.627 -8.224 1.00 0.00 C ATOM 557 CE LYS A 36 -11.655 -3.414 -8.861 1.00 0.00 C ATOM 558 NZ LYS A 36 -12.986 -3.054 -8.308 1.00 0.00 N ATOM 0 H LYS A 36 -9.282 -1.034 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.198 0.007 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.549 -1.569 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.233 -1.268 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.592 -2.710 -6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.133 -3.539 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.550 -1.596 -8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.564 -3.044 -8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.654 -3.238 -9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.481 -4.480 -8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.729 -3.544 -8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.036 -3.340 -7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.126 -2.026 -8.381 1.00 0.00 H new ATOM 572 N THR A 37 -11.643 1.940 -6.700 1.00 0.00 N ATOM 573 CA THR A 37 -12.309 3.169 -6.296 1.00 0.00 C ATOM 574 C THR A 37 -13.542 3.452 -7.140 1.00 0.00 C ATOM 575 O THR A 37 -13.472 3.453 -8.365 1.00 0.00 O ATOM 576 CB THR A 37 -11.349 4.373 -6.396 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.726 4.393 -7.689 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.280 4.321 -5.314 1.00 0.00 C ATOM 0 H THR A 37 -11.534 1.823 -7.707 1.00 0.00 H new ATOM 0 HA THR A 37 -12.619 3.029 -5.261 1.00 0.00 H new ATOM 0 HB THR A 37 -11.933 5.282 -6.254 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.325 3.982 -8.347 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.620 5.183 -5.413 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.754 4.337 -4.333 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.699 3.405 -5.421 1.00 0.00 H new ATOM 586 N GLU A 38 -14.661 3.697 -6.476 1.00 0.00 N ATOM 587 CA GLU A 38 -15.893 4.079 -7.150 1.00 0.00 C ATOM 588 C GLU A 38 -15.917 5.588 -7.355 1.00 0.00 C ATOM 589 O GLU A 38 -16.305 6.342 -6.457 1.00 0.00 O ATOM 590 CB GLU A 38 -17.119 3.647 -6.332 1.00 0.00 C ATOM 591 CG GLU A 38 -17.228 2.144 -6.134 1.00 0.00 C ATOM 592 CD GLU A 38 -18.383 1.750 -5.232 1.00 0.00 C ATOM 593 OE1 GLU A 38 -19.530 1.690 -5.719 1.00 0.00 O ATOM 594 OE2 GLU A 38 -18.152 1.481 -4.031 1.00 0.00 O ATOM 0 H GLU A 38 -14.741 3.637 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.930 3.577 -8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.081 4.130 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -18.020 4.004 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -17.351 1.663 -7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.297 1.770 -5.708 1.00 0.00 H new ATOM 601 N GLY A 39 -15.473 6.032 -8.520 1.00 0.00 N ATOM 602 CA GLY A 39 -15.442 7.446 -8.802 1.00 0.00 C ATOM 603 C GLY A 39 -14.496 7.801 -9.927 1.00 0.00 C ATOM 604 O GLY A 39 -13.550 7.067 -10.216 1.00 0.00 O ATOM 0 H GLY A 39 -15.134 5.435 -9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.447 7.782 -9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.146 7.985 -7.902 1.00 0.00 H new ATOM 608 N TYR A 40 -14.747 8.942 -10.547 1.00 0.00 N ATOM 609 CA TYR A 40 -13.945 9.412 -11.665 1.00 0.00 C ATOM 610 C TYR A 40 -12.934 10.430 -11.157 1.00 0.00 C ATOM 611 O TYR A 40 -13.313 11.471 -10.623 1.00 0.00 O ATOM 612 CB TYR A 40 -14.844 10.050 -12.733 1.00 0.00 C ATOM 613 CG TYR A 40 -15.999 9.173 -13.171 1.00 0.00 C ATOM 614 CD1 TYR A 40 -17.141 9.054 -12.389 1.00 0.00 C ATOM 615 CD2 TYR A 40 -15.949 8.470 -14.367 1.00 0.00 C ATOM 616 CE1 TYR A 40 -18.196 8.260 -12.782 1.00 0.00 C ATOM 617 CE2 TYR A 40 -17.005 7.672 -14.770 1.00 0.00 C ATOM 618 CZ TYR A 40 -18.125 7.571 -13.971 1.00 0.00 C ATOM 619 OH TYR A 40 -19.181 6.781 -14.362 1.00 0.00 O ATOM 0 H TYR A 40 -15.511 9.568 -10.290 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.421 8.569 -12.116 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.241 10.989 -12.346 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.237 10.296 -13.604 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -17.203 9.594 -11.456 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -15.072 8.547 -14.993 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -19.075 8.179 -12.160 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -16.953 7.132 -15.704 1.00 0.00 H new ATOM 0 HH TYR A 40 -18.975 6.363 -15.224 1.00 0.00 H new ATOM 629 N ASN A 41 -11.652 10.133 -11.310 1.00 0.00 N ATOM 630 CA ASN A 41 -10.614 10.983 -10.739 1.00 0.00 C ATOM 631 C ASN A 41 -9.569 11.416 -11.773 1.00 0.00 C ATOM 632 O ASN A 41 -8.511 10.805 -11.905 1.00 0.00 O ATOM 633 CB ASN A 41 -9.948 10.289 -9.536 1.00 0.00 C ATOM 634 CG ASN A 41 -9.491 8.863 -9.823 1.00 0.00 C ATOM 635 OD1 ASN A 41 -8.350 8.625 -10.213 1.00 0.00 O ATOM 636 ND2 ASN A 41 -10.383 7.902 -9.625 1.00 0.00 N ATOM 0 H ASN A 41 -11.306 9.319 -11.819 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.102 11.894 -10.393 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.088 10.879 -9.218 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.650 10.275 -8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.131 6.929 -9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.321 8.136 -9.301 1.00 0.00 H new ATOM 643 N PRO A 42 -9.872 12.468 -12.552 1.00 0.00 N ATOM 644 CA PRO A 42 -8.901 13.086 -13.449 1.00 0.00 C ATOM 645 C PRO A 42 -8.111 14.209 -12.766 1.00 0.00 C ATOM 646 O PRO A 42 -7.060 14.633 -13.253 1.00 0.00 O ATOM 647 CB PRO A 42 -9.785 13.645 -14.562 1.00 0.00 C ATOM 648 CG PRO A 42 -11.088 13.968 -13.905 1.00 0.00 C ATOM 649 CD PRO A 42 -11.197 13.105 -12.667 1.00 0.00 C ATOM 0 HA PRO A 42 -8.142 12.384 -13.794 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.339 14.533 -15.010 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.918 12.917 -15.362 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.133 15.025 -13.641 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.919 13.773 -14.583 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.430 13.702 -11.785 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.988 12.362 -12.768 1.00 0.00 H new ATOM 657 N SER A 43 -8.614 14.674 -11.628 1.00 0.00 N ATOM 658 CA SER A 43 -7.986 15.769 -10.898 1.00 0.00 C ATOM 659 C SER A 43 -7.114 15.234 -9.758 1.00 0.00 C ATOM 660 O SER A 43 -6.719 15.977 -8.859 1.00 0.00 O ATOM 661 CB SER A 43 -9.069 16.710 -10.347 1.00 0.00 C ATOM 662 OG SER A 43 -8.505 17.832 -9.689 1.00 0.00 O ATOM 0 H SER A 43 -9.459 14.308 -11.189 1.00 0.00 H new ATOM 0 HA SER A 43 -7.343 16.323 -11.582 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.706 17.050 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.707 16.163 -9.652 1.00 0.00 H new ATOM 0 HG SER A 43 -7.728 17.547 -9.165 1.00 0.00 H new ATOM 668 N ILE A 44 -6.808 13.945 -9.805 1.00 0.00 N ATOM 669 CA ILE A 44 -5.996 13.318 -8.772 1.00 0.00 C ATOM 670 C ILE A 44 -4.784 12.632 -9.397 1.00 0.00 C ATOM 671 O ILE A 44 -4.894 11.996 -10.445 1.00 0.00 O ATOM 672 CB ILE A 44 -6.819 12.292 -7.955 1.00 0.00 C ATOM 673 CG1 ILE A 44 -8.031 12.976 -7.311 1.00 0.00 C ATOM 674 CG2 ILE A 44 -5.952 11.635 -6.889 1.00 0.00 C ATOM 675 CD1 ILE A 44 -8.909 12.042 -6.505 1.00 0.00 C ATOM 0 H ILE A 44 -7.110 13.313 -10.547 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.657 14.100 -8.093 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.174 11.516 -8.633 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.680 13.779 -6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.632 13.439 -8.093 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.549 10.918 -6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.118 11.119 -7.365 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.567 12.398 -6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.744 12.601 -6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.292 11.253 -7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.325 11.598 -5.699 1.00 0.00 H new ATOM 687 N ASN A 45 -3.629 12.780 -8.761 1.00 0.00 N ATOM 688 CA ASN A 45 -2.399 12.173 -9.255 1.00 0.00 C ATOM 689 C ASN A 45 -2.164 10.831 -8.579 1.00 0.00 C ATOM 690 O ASN A 45 -1.929 10.766 -7.370 1.00 0.00 O ATOM 691 CB ASN A 45 -1.198 13.093 -9.010 1.00 0.00 C ATOM 692 CG ASN A 45 -1.259 14.381 -9.809 1.00 0.00 C ATOM 693 OD1 ASN A 45 -0.770 15.420 -9.367 1.00 0.00 O ATOM 694 ND2 ASN A 45 -1.847 14.323 -10.994 1.00 0.00 N ATOM 0 H ASN A 45 -3.518 13.316 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.507 12.020 -10.329 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.144 13.334 -7.948 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.282 12.559 -9.263 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.906 15.159 -11.575 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.241 13.442 -11.325 1.00 0.00 H new ATOM 701 N VAL A 46 -2.215 9.765 -9.363 1.00 0.00 N ATOM 702 CA VAL A 46 -2.050 8.418 -8.835 1.00 0.00 C ATOM 703 C VAL A 46 -0.586 8.122 -8.530 1.00 0.00 C ATOM 704 O VAL A 46 -0.277 7.276 -7.698 1.00 0.00 O ATOM 705 CB VAL A 46 -2.605 7.349 -9.801 1.00 0.00 C ATOM 706 CG1 VAL A 46 -4.098 7.548 -10.008 1.00 0.00 C ATOM 707 CG2 VAL A 46 -1.873 7.377 -11.136 1.00 0.00 C ATOM 0 H VAL A 46 -2.370 9.806 -10.370 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.623 8.373 -7.909 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.440 6.370 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.475 6.787 -10.691 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.613 7.463 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.278 8.536 -10.431 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.287 6.613 -11.794 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.994 8.357 -11.597 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.813 7.181 -10.974 1.00 0.00 H new ATOM 717 N ASN A 47 0.315 8.827 -9.202 1.00 0.00 N ATOM 718 CA ASN A 47 1.739 8.673 -8.940 1.00 0.00 C ATOM 719 C ASN A 47 2.105 9.367 -7.632 1.00 0.00 C ATOM 720 O ASN A 47 3.080 9.007 -6.971 1.00 0.00 O ATOM 721 CB ASN A 47 2.562 9.252 -10.097 1.00 0.00 C ATOM 722 CG ASN A 47 4.050 8.981 -9.954 1.00 0.00 C ATOM 723 OD1 ASN A 47 4.548 7.938 -10.382 1.00 0.00 O ATOM 724 ND2 ASN A 47 4.776 9.924 -9.375 1.00 0.00 N ATOM 0 H ASN A 47 0.087 9.507 -9.928 1.00 0.00 H new ATOM 0 HA ASN A 47 1.967 7.611 -8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.209 8.827 -11.037 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.397 10.328 -10.152 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.783 9.800 -9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.328 10.774 -9.033 1.00 0.00 H new ATOM 731 N GLU A 48 1.297 10.350 -7.260 1.00 0.00 N ATOM 732 CA GLU A 48 1.530 11.131 -6.053 1.00 0.00 C ATOM 733 C GLU A 48 0.970 10.415 -4.826 1.00 0.00 C ATOM 734 O GLU A 48 1.528 10.510 -3.732 1.00 0.00 O ATOM 735 CB GLU A 48 0.889 12.512 -6.199 1.00 0.00 C ATOM 736 CG GLU A 48 1.045 13.400 -4.977 1.00 0.00 C ATOM 737 CD GLU A 48 0.325 14.722 -5.133 1.00 0.00 C ATOM 738 OE1 GLU A 48 -0.920 14.736 -5.059 1.00 0.00 O ATOM 739 OE2 GLU A 48 0.999 15.751 -5.336 1.00 0.00 O ATOM 0 H GLU A 48 0.466 10.628 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 48 2.605 11.247 -5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.329 13.016 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.173 12.387 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.659 12.880 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.104 13.584 -4.797 1.00 0.00 H new ATOM 746 N LEU A 49 -0.135 9.705 -5.011 1.00 0.00 N ATOM 747 CA LEU A 49 -0.752 8.960 -3.920 1.00 0.00 C ATOM 748 C LEU A 49 0.104 7.760 -3.542 1.00 0.00 C ATOM 749 O LEU A 49 0.456 6.942 -4.393 1.00 0.00 O ATOM 750 CB LEU A 49 -2.154 8.491 -4.306 1.00 0.00 C ATOM 751 CG LEU A 49 -3.170 9.601 -4.574 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.517 9.000 -4.939 1.00 0.00 C ATOM 753 CD2 LEU A 49 -3.300 10.511 -3.362 1.00 0.00 C ATOM 0 H LEU A 49 -0.622 9.629 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.830 9.627 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.077 7.870 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.538 7.856 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.818 10.201 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.233 9.800 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.412 8.388 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.874 8.380 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.028 11.295 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.632 9.928 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.333 10.963 -3.141 1.00 0.00 H new ATOM 765 N PHE A 50 0.444 7.661 -2.269 1.00 0.00 N ATOM 766 CA PHE A 50 1.271 6.567 -1.795 1.00 0.00 C ATOM 767 C PHE A 50 0.516 5.687 -0.814 1.00 0.00 C ATOM 768 O PHE A 50 -0.351 6.154 -0.071 1.00 0.00 O ATOM 769 CB PHE A 50 2.540 7.093 -1.119 1.00 0.00 C ATOM 770 CG PHE A 50 3.502 7.772 -2.050 1.00 0.00 C ATOM 771 CD1 PHE A 50 4.135 7.061 -3.056 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.786 9.121 -1.908 1.00 0.00 C ATOM 773 CE1 PHE A 50 5.031 7.682 -3.904 1.00 0.00 C ATOM 774 CE2 PHE A 50 4.680 9.747 -2.754 1.00 0.00 C ATOM 775 CZ PHE A 50 5.304 9.027 -3.752 1.00 0.00 C ATOM 0 H PHE A 50 0.161 8.323 -1.547 1.00 0.00 H new ATOM 0 HA PHE A 50 1.544 5.973 -2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.255 7.795 -0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.050 6.261 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.926 6.009 -3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.303 9.689 -1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.517 7.116 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.891 10.800 -2.635 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.005 9.515 -4.413 1.00 0.00 H new ATOM 785 N ALA A 51 0.847 4.409 -0.833 1.00 0.00 N ATOM 786 CA ALA A 51 0.394 3.481 0.181 1.00 0.00 C ATOM 787 C ALA A 51 1.586 3.092 1.033 1.00 0.00 C ATOM 788 O ALA A 51 2.601 2.641 0.510 1.00 0.00 O ATOM 789 CB ALA A 51 -0.238 2.253 -0.453 1.00 0.00 C ATOM 0 H ALA A 51 1.436 3.988 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.368 3.953 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.571 1.570 0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.092 2.555 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.495 1.752 -1.085 1.00 0.00 H new ATOM 795 N TYR A 52 1.487 3.285 2.331 1.00 0.00 N ATOM 796 CA TYR A 52 2.628 3.050 3.194 1.00 0.00 C ATOM 797 C TYR A 52 2.327 2.013 4.258 1.00 0.00 C ATOM 798 O TYR A 52 1.170 1.729 4.567 1.00 0.00 O ATOM 799 CB TYR A 52 3.091 4.353 3.855 1.00 0.00 C ATOM 800 CG TYR A 52 2.021 5.066 4.653 1.00 0.00 C ATOM 801 CD1 TYR A 52 1.817 4.771 5.996 1.00 0.00 C ATOM 802 CD2 TYR A 52 1.225 6.042 4.069 1.00 0.00 C ATOM 803 CE1 TYR A 52 0.850 5.424 6.729 1.00 0.00 C ATOM 804 CE2 TYR A 52 0.257 6.701 4.800 1.00 0.00 C ATOM 805 CZ TYR A 52 0.074 6.388 6.128 1.00 0.00 C ATOM 806 OH TYR A 52 -0.888 7.043 6.858 1.00 0.00 O ATOM 0 H TYR A 52 0.642 3.599 2.808 1.00 0.00 H new ATOM 0 HA TYR A 52 3.429 2.665 2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.932 4.133 4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.460 5.027 3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.426 4.018 6.473 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.365 6.289 3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.702 5.180 7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.354 7.459 4.332 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.346 7.694 6.286 1.00 0.00 H new ATOM 816 N VAL A 53 3.385 1.453 4.806 1.00 0.00 N ATOM 817 CA VAL A 53 3.285 0.568 5.944 1.00 0.00 C ATOM 818 C VAL A 53 3.918 1.239 7.154 1.00 0.00 C ATOM 819 O VAL A 53 5.075 1.666 7.110 1.00 0.00 O ATOM 820 CB VAL A 53 3.957 -0.798 5.676 1.00 0.00 C ATOM 821 CG1 VAL A 53 3.097 -1.639 4.744 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.348 -0.614 5.082 1.00 0.00 C ATOM 0 H VAL A 53 4.338 1.600 4.474 1.00 0.00 H new ATOM 0 HA VAL A 53 2.230 0.373 6.134 1.00 0.00 H new ATOM 0 HB VAL A 53 4.057 -1.317 6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.584 -2.598 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.122 -1.807 5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.968 -1.116 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.799 -1.590 4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.272 -0.071 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.969 -0.049 5.778 1.00 0.00 H new ATOM 832 N ASP A 54 3.143 1.375 8.217 1.00 0.00 N ATOM 833 CA ASP A 54 3.598 2.089 9.399 1.00 0.00 C ATOM 834 C ASP A 54 4.358 1.148 10.320 1.00 0.00 C ATOM 835 O ASP A 54 3.775 0.256 10.940 1.00 0.00 O ATOM 836 CB ASP A 54 2.415 2.712 10.138 1.00 0.00 C ATOM 837 CG ASP A 54 2.843 3.714 11.189 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.211 3.299 12.309 1.00 0.00 O ATOM 839 OD2 ASP A 54 2.797 4.930 10.905 1.00 0.00 O ATOM 0 H ASP A 54 2.197 1.001 8.286 1.00 0.00 H new ATOM 0 HA ASP A 54 4.267 2.889 9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.761 3.204 9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.831 1.922 10.611 1.00 0.00 H new ATOM 844 N LEU A 55 5.666 1.341 10.387 1.00 0.00 N ATOM 845 CA LEU A 55 6.533 0.482 11.182 1.00 0.00 C ATOM 846 C LEU A 55 6.974 1.174 12.466 1.00 0.00 C ATOM 847 O LEU A 55 8.095 0.974 12.931 1.00 0.00 O ATOM 848 CB LEU A 55 7.764 0.069 10.368 1.00 0.00 C ATOM 849 CG LEU A 55 7.643 -1.249 9.595 1.00 0.00 C ATOM 850 CD1 LEU A 55 6.535 -1.186 8.555 1.00 0.00 C ATOM 851 CD2 LEU A 55 8.967 -1.597 8.934 1.00 0.00 C ATOM 0 H LEU A 55 6.154 2.090 9.897 1.00 0.00 H new ATOM 0 HA LEU A 55 5.962 -0.407 11.451 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.990 0.865 9.658 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.615 -0.006 11.045 1.00 0.00 H new ATOM 0 HG LEU A 55 7.386 -2.031 10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.478 -2.137 8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.584 -0.987 9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.748 -0.388 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.866 -2.535 8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.248 -0.803 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.738 -1.702 9.697 1.00 0.00 H new ATOM 863 N SER A 56 6.094 1.983 13.044 1.00 0.00 N ATOM 864 CA SER A 56 6.400 2.645 14.305 1.00 0.00 C ATOM 865 C SER A 56 6.559 1.614 15.421 1.00 0.00 C ATOM 866 O SER A 56 5.581 1.004 15.865 1.00 0.00 O ATOM 867 CB SER A 56 5.304 3.650 14.660 1.00 0.00 C ATOM 868 OG SER A 56 5.107 4.579 13.609 1.00 0.00 O ATOM 0 H SER A 56 5.172 2.195 12.664 1.00 0.00 H new ATOM 0 HA SER A 56 7.341 3.184 14.194 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.372 3.121 14.862 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.574 4.180 15.573 1.00 0.00 H new ATOM 0 HG SER A 56 4.397 4.256 13.015 1.00 0.00 H new ATOM 874 N GLY A 57 7.799 1.411 15.850 1.00 0.00 N ATOM 875 CA GLY A 57 8.080 0.428 16.878 1.00 0.00 C ATOM 876 C GLY A 57 8.201 -0.969 16.306 1.00 0.00 C ATOM 877 O GLY A 57 7.595 -1.912 16.815 1.00 0.00 O ATOM 0 H GLY A 57 8.617 1.912 15.503 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.006 0.692 17.390 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.286 0.447 17.625 1.00 0.00 H new ATOM 881 N SER A 58 8.977 -1.106 15.242 1.00 0.00 N ATOM 882 CA SER A 58 9.144 -2.390 14.583 1.00 0.00 C ATOM 883 C SER A 58 10.464 -3.047 14.974 1.00 0.00 C ATOM 884 O SER A 58 11.541 -2.541 14.652 1.00 0.00 O ATOM 885 CB SER A 58 9.082 -2.207 13.068 1.00 0.00 C ATOM 886 OG SER A 58 10.061 -1.280 12.629 1.00 0.00 O ATOM 0 H SER A 58 9.502 -0.342 14.817 1.00 0.00 H new ATOM 0 HA SER A 58 8.334 -3.044 14.905 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.238 -3.167 12.575 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.090 -1.858 12.780 1.00 0.00 H new ATOM 0 HG SER A 58 10.849 -1.337 13.209 1.00 0.00 H new ATOM 892 N GLU A 59 10.372 -4.167 15.678 1.00 0.00 N ATOM 893 CA GLU A 59 11.545 -4.964 15.992 1.00 0.00 C ATOM 894 C GLU A 59 11.921 -5.800 14.772 1.00 0.00 C ATOM 895 O GLU A 59 11.064 -6.484 14.204 1.00 0.00 O ATOM 896 CB GLU A 59 11.269 -5.867 17.199 1.00 0.00 C ATOM 897 CG GLU A 59 12.486 -6.649 17.670 1.00 0.00 C ATOM 898 CD GLU A 59 12.173 -7.576 18.826 1.00 0.00 C ATOM 899 OE1 GLU A 59 12.223 -7.124 19.988 1.00 0.00 O ATOM 900 OE2 GLU A 59 11.876 -8.764 18.580 1.00 0.00 O ATOM 0 H GLU A 59 9.496 -4.542 16.042 1.00 0.00 H new ATOM 0 HA GLU A 59 12.375 -4.305 16.247 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.901 -5.255 18.022 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.475 -6.568 16.943 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.882 -7.232 16.839 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.267 -5.951 17.971 1.00 0.00 H new ATOM 907 N PRO A 60 13.197 -5.736 14.344 1.00 0.00 N ATOM 908 CA PRO A 60 13.688 -6.421 13.141 1.00 0.00 C ATOM 909 C PRO A 60 13.302 -7.900 13.088 1.00 0.00 C ATOM 910 O PRO A 60 13.914 -8.741 13.748 1.00 0.00 O ATOM 911 CB PRO A 60 15.215 -6.267 13.220 1.00 0.00 C ATOM 912 CG PRO A 60 15.499 -5.736 14.589 1.00 0.00 C ATOM 913 CD PRO A 60 14.270 -4.984 15.004 1.00 0.00 C ATOM 0 HA PRO A 60 13.250 -5.990 12.241 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.714 -7.223 13.060 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.580 -5.585 12.452 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.714 -6.547 15.285 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.372 -5.083 14.581 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.149 -4.971 16.087 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.299 -3.946 14.674 1.00 0.00 H new ATOM 921 N GLY A 61 12.266 -8.192 12.317 1.00 0.00 N ATOM 922 CA GLY A 61 11.805 -9.553 12.142 1.00 0.00 C ATOM 923 C GLY A 61 10.645 -9.615 11.172 1.00 0.00 C ATOM 924 O GLY A 61 10.163 -8.576 10.712 1.00 0.00 O ATOM 0 H GLY A 61 11.728 -7.496 11.801 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.623 -10.173 11.775 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.500 -9.964 13.105 1.00 0.00 H new ATOM 928 N GLU A 62 10.192 -10.816 10.853 1.00 0.00 N ATOM 929 CA GLU A 62 9.068 -10.983 9.942 1.00 0.00 C ATOM 930 C GLU A 62 7.756 -10.756 10.686 1.00 0.00 C ATOM 931 O GLU A 62 7.415 -11.506 11.603 1.00 0.00 O ATOM 932 CB GLU A 62 9.085 -12.382 9.317 1.00 0.00 C ATOM 933 CG GLU A 62 7.970 -12.613 8.306 1.00 0.00 C ATOM 934 CD GLU A 62 7.941 -14.033 7.779 1.00 0.00 C ATOM 935 OE1 GLU A 62 7.615 -14.951 8.561 1.00 0.00 O ATOM 936 OE2 GLU A 62 8.228 -14.241 6.582 1.00 0.00 O ATOM 0 H GLU A 62 10.583 -11.688 11.209 1.00 0.00 H new ATOM 0 HA GLU A 62 9.156 -10.247 9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.046 -12.540 8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.005 -13.126 10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.011 -12.383 8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.094 -11.923 7.471 1.00 0.00 H new ATOM 943 N HIS A 63 7.040 -9.704 10.315 1.00 0.00 N ATOM 944 CA HIS A 63 5.757 -9.392 10.936 1.00 0.00 C ATOM 945 C HIS A 63 4.718 -9.055 9.879 1.00 0.00 C ATOM 946 O HIS A 63 5.056 -8.698 8.752 1.00 0.00 O ATOM 947 CB HIS A 63 5.864 -8.211 11.907 1.00 0.00 C ATOM 948 CG HIS A 63 6.652 -8.478 13.151 1.00 0.00 C ATOM 949 ND1 HIS A 63 7.520 -7.557 13.693 1.00 0.00 N ATOM 950 CD2 HIS A 63 6.669 -9.544 13.985 1.00 0.00 C ATOM 951 CE1 HIS A 63 8.037 -8.043 14.804 1.00 0.00 C ATOM 952 NE2 HIS A 63 7.537 -9.248 15.004 1.00 0.00 N ATOM 0 H HIS A 63 7.325 -9.050 9.586 1.00 0.00 H new ATOM 0 HA HIS A 63 5.454 -10.279 11.492 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.317 -7.370 11.382 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.858 -7.904 12.192 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.104 -10.457 13.869 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.749 -7.540 15.442 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.760 -9.860 15.789 1.00 0.00 H new ATOM 961 N ASP A 64 3.460 -9.156 10.262 1.00 0.00 N ATOM 962 CA ASP A 64 2.348 -8.844 9.379 1.00 0.00 C ATOM 963 C ASP A 64 1.880 -7.413 9.653 1.00 0.00 C ATOM 964 O ASP A 64 1.301 -7.137 10.704 1.00 0.00 O ATOM 965 CB ASP A 64 1.224 -9.860 9.623 1.00 0.00 C ATOM 966 CG ASP A 64 0.175 -9.889 8.533 1.00 0.00 C ATOM 967 OD1 ASP A 64 0.542 -9.982 7.342 1.00 0.00 O ATOM 968 OD2 ASP A 64 -1.030 -9.879 8.869 1.00 0.00 O ATOM 0 H ASP A 64 3.178 -9.457 11.195 1.00 0.00 H new ATOM 0 HA ASP A 64 2.650 -8.909 8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.661 -10.854 9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.741 -9.631 10.573 1.00 0.00 H new ATOM 973 N TYR A 65 2.162 -6.505 8.720 1.00 0.00 N ATOM 974 CA TYR A 65 1.934 -5.074 8.937 1.00 0.00 C ATOM 975 C TYR A 65 0.778 -4.563 8.087 1.00 0.00 C ATOM 976 O TYR A 65 0.508 -5.090 7.008 1.00 0.00 O ATOM 977 CB TYR A 65 3.192 -4.265 8.609 1.00 0.00 C ATOM 978 CG TYR A 65 4.365 -4.530 9.525 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.366 -4.071 10.836 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.479 -5.223 9.071 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.444 -4.299 11.671 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.559 -5.457 9.899 1.00 0.00 C ATOM 983 CZ TYR A 65 6.537 -4.993 11.198 1.00 0.00 C ATOM 984 OH TYR A 65 7.615 -5.226 12.026 1.00 0.00 O ATOM 0 H TYR A 65 2.549 -6.734 7.805 1.00 0.00 H new ATOM 0 HA TYR A 65 1.684 -4.945 9.990 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.492 -4.483 7.584 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.947 -3.204 8.651 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.511 -3.527 11.209 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.501 -5.585 8.054 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.430 -3.936 12.688 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.417 -6.001 9.531 1.00 0.00 H new ATOM 0 HH TYR A 65 7.498 -6.086 12.481 1.00 0.00 H new ATOM 994 N GLU A 66 0.122 -3.513 8.568 1.00 0.00 N ATOM 995 CA GLU A 66 -1.035 -2.949 7.884 1.00 0.00 C ATOM 996 C GLU A 66 -0.606 -2.054 6.727 1.00 0.00 C ATOM 997 O GLU A 66 0.351 -1.284 6.846 1.00 0.00 O ATOM 998 CB GLU A 66 -1.884 -2.120 8.851 1.00 0.00 C ATOM 999 CG GLU A 66 -2.250 -2.839 10.135 1.00 0.00 C ATOM 1000 CD GLU A 66 -3.141 -2.002 11.027 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -2.762 -0.855 11.353 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -4.223 -2.491 11.417 1.00 0.00 O ATOM 0 H GLU A 66 0.373 -3.034 9.433 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.621 -3.784 7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.342 -1.208 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.800 -1.818 8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.756 -3.774 9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.340 -3.099 10.675 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.322 -2.150 5.618 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.108 -1.256 4.492 1.00 0.00 C ATOM 1011 C VAL A 67 -2.037 -0.056 4.618 1.00 0.00 C ATOM 1012 O VAL A 67 -3.257 -0.206 4.677 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.356 -1.962 3.143 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.166 -0.997 1.981 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.433 -3.160 2.996 1.00 0.00 C ATOM 0 H VAL A 67 -2.059 -2.841 5.474 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.067 -0.933 4.511 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.388 -2.312 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.346 -1.519 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.869 -0.169 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.147 -0.611 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.620 -3.648 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.604 -2.827 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.620 -3.865 3.806 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.457 1.127 4.686 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.222 2.341 4.900 1.00 0.00 C ATOM 1027 C LYS A 68 -2.082 3.275 3.705 1.00 0.00 C ATOM 1028 O LYS A 68 -1.015 3.841 3.466 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.745 3.027 6.182 1.00 0.00 C ATOM 1030 CG LYS A 68 -1.825 2.130 7.407 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.024 2.689 8.571 1.00 0.00 C ATOM 1032 CE LYS A 68 -1.022 1.733 9.757 1.00 0.00 C ATOM 1033 NZ LYS A 68 -2.352 1.647 10.422 1.00 0.00 N ATOM 0 H LYS A 68 -0.452 1.274 4.595 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.276 2.086 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.715 3.357 6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.346 3.920 6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.867 2.015 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.454 1.137 7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.001 2.877 8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.444 3.648 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.723 0.741 9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.277 2.060 10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.307 2.116 11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.067 2.117 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.612 0.648 10.551 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.154 3.406 2.943 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.171 4.292 1.787 1.00 0.00 C ATOM 1049 C VAL A 69 -3.617 5.688 2.209 1.00 0.00 C ATOM 1050 O VAL A 69 -4.375 5.834 3.171 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.131 3.761 0.693 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.142 4.666 -0.529 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -3.761 2.344 0.293 1.00 0.00 C ATOM 0 H VAL A 69 -4.030 2.908 3.104 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.161 4.332 1.379 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.135 3.756 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.826 4.262 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.469 5.664 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.138 4.721 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.448 1.992 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.743 2.330 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.826 1.692 1.164 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.116 6.709 1.525 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.609 8.064 1.719 1.00 0.00 C ATOM 1065 C GLU A 70 -5.084 8.135 1.346 1.00 0.00 C ATOM 1066 O GLU A 70 -5.446 7.858 0.204 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.805 9.056 0.878 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.423 9.338 1.439 1.00 0.00 C ATOM 1069 CD GLU A 70 -1.485 9.994 2.802 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -1.749 11.213 2.864 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -1.279 9.296 3.816 1.00 0.00 O ATOM 0 H GLU A 70 -2.371 6.624 0.833 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.492 8.331 2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.706 8.666 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.358 9.992 0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.864 8.405 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.878 9.984 0.751 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.947 8.484 2.315 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.400 8.531 2.112 1.00 0.00 C ATOM 1080 C PRO A 71 -7.794 9.372 0.903 1.00 0.00 C ATOM 1081 O PRO A 71 -7.356 10.517 0.758 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.920 9.167 3.404 1.00 0.00 C ATOM 1083 CG PRO A 71 -6.884 8.848 4.422 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.573 8.862 3.690 1.00 0.00 C ATOM 0 HA PRO A 71 -7.814 7.543 1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.048 10.244 3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.891 8.758 3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.889 9.581 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.068 7.874 4.876 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.104 9.846 3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.864 8.156 4.122 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.615 8.792 0.042 1.00 0.00 N ATOM 1093 CA ILE A 72 -9.051 9.462 -1.170 1.00 0.00 C ATOM 1094 C ILE A 72 -10.385 10.158 -0.927 1.00 0.00 C ATOM 1095 O ILE A 72 -11.393 9.504 -0.649 1.00 0.00 O ATOM 1096 CB ILE A 72 -9.203 8.482 -2.365 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.894 7.733 -2.650 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -9.652 9.230 -3.613 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.672 6.515 -1.777 1.00 0.00 C ATOM 0 H ILE A 72 -8.994 7.853 0.163 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.281 10.190 -1.427 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.962 7.748 -2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.886 7.423 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.059 8.420 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.754 8.528 -4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.612 9.710 -3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.912 9.988 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.726 6.044 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.645 6.818 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.485 5.805 -1.929 1.00 0.00 H new ATOM 1111 N PRO A 73 -10.404 11.495 -0.992 1.00 0.00 N ATOM 1112 CA PRO A 73 -11.620 12.281 -0.835 1.00 0.00 C ATOM 1113 C PRO A 73 -12.433 12.324 -2.125 1.00 0.00 C ATOM 1114 O PRO A 73 -11.874 12.211 -3.219 1.00 0.00 O ATOM 1115 CB PRO A 73 -11.110 13.688 -0.482 1.00 0.00 C ATOM 1116 CG PRO A 73 -9.613 13.602 -0.462 1.00 0.00 C ATOM 1117 CD PRO A 73 -9.241 12.356 -1.212 1.00 0.00 C ATOM 0 HA PRO A 73 -12.282 11.859 -0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.447 14.419 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.494 14.009 0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.169 14.481 -0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.242 13.562 0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.077 12.554 -2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.325 11.908 -0.826 1.00 0.00 H new ATOM 1125 N ASN A 74 -13.752 12.462 -1.980 1.00 0.00 N ATOM 1126 CA ASN A 74 -14.688 12.597 -3.110 1.00 0.00 C ATOM 1127 C ASN A 74 -14.901 11.267 -3.829 1.00 0.00 C ATOM 1128 O ASN A 74 -16.015 10.949 -4.244 1.00 0.00 O ATOM 1129 CB ASN A 74 -14.220 13.667 -4.106 1.00 0.00 C ATOM 1130 CG ASN A 74 -14.034 15.029 -3.460 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -14.704 15.369 -2.483 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -13.114 15.813 -3.997 1.00 0.00 N ATOM 0 H ASN A 74 -14.210 12.484 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.642 12.914 -2.689 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.279 13.351 -4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.948 13.749 -4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.938 16.737 -3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.581 15.494 -4.806 1.00 0.00 H new ATOM 1139 N ILE A 75 -13.836 10.502 -3.989 1.00 0.00 N ATOM 1140 CA ILE A 75 -13.923 9.184 -4.593 1.00 0.00 C ATOM 1141 C ILE A 75 -14.116 8.137 -3.498 1.00 0.00 C ATOM 1142 O ILE A 75 -13.460 8.195 -2.455 1.00 0.00 O ATOM 1143 CB ILE A 75 -12.655 8.852 -5.411 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -12.343 9.980 -6.403 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -12.816 7.529 -6.146 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -13.461 10.264 -7.384 1.00 0.00 C ATOM 0 H ILE A 75 -12.894 10.773 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.774 9.176 -5.274 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.819 8.759 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.123 10.890 -5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.442 9.722 -6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.911 7.316 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.987 6.730 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.666 7.592 -6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -13.163 11.073 -8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.667 9.368 -7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.359 10.555 -6.838 1.00 0.00 H new ATOM 1158 N LYS A 76 -15.021 7.199 -3.724 1.00 0.00 N ATOM 1159 CA LYS A 76 -15.315 6.171 -2.736 1.00 0.00 C ATOM 1160 C LYS A 76 -14.373 4.982 -2.907 1.00 0.00 C ATOM 1161 O LYS A 76 -14.366 4.335 -3.950 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.771 5.721 -2.871 1.00 0.00 C ATOM 1163 CG LYS A 76 -17.171 4.642 -1.883 1.00 0.00 C ATOM 1164 CD LYS A 76 -18.615 4.222 -2.076 1.00 0.00 C ATOM 1165 CE LYS A 76 -18.998 3.081 -1.145 1.00 0.00 C ATOM 1166 NZ LYS A 76 -18.135 1.887 -1.348 1.00 0.00 N ATOM 0 H LYS A 76 -15.566 7.127 -4.583 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.165 6.587 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.423 6.584 -2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.936 5.353 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.520 3.776 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.030 5.008 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.269 5.075 -1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.770 3.915 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.919 3.414 -0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.040 2.809 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.659 1.030 -1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.860 1.823 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.282 1.971 -0.760 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.581 4.693 -1.886 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.607 3.610 -1.967 1.00 0.00 C ATOM 1182 C ILE A 77 -13.273 2.255 -1.706 1.00 0.00 C ATOM 1183 O ILE A 77 -13.920 2.046 -0.678 1.00 0.00 O ATOM 1184 CB ILE A 77 -11.415 3.824 -0.994 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.364 2.720 -1.175 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.886 3.884 0.455 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -9.145 2.889 -0.290 1.00 0.00 C ATOM 0 H ILE A 77 -13.591 5.189 -0.995 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.208 3.615 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.956 4.783 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.824 1.755 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.046 2.701 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.028 4.034 1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.585 4.711 0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.382 2.949 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.447 2.072 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.660 3.839 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.451 2.878 0.756 1.00 0.00 H new ATOM 1199 N VAL A 78 -13.126 1.349 -2.655 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.679 0.008 -2.540 1.00 0.00 C ATOM 1201 C VAL A 78 -12.704 -0.892 -1.802 1.00 0.00 C ATOM 1202 O VAL A 78 -13.005 -1.426 -0.735 1.00 0.00 O ATOM 1203 CB VAL A 78 -13.949 -0.622 -3.922 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -14.661 -1.956 -3.776 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -14.743 0.310 -4.814 1.00 0.00 C ATOM 0 H VAL A 78 -12.622 1.519 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.620 0.096 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.984 -0.794 -4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.841 -2.382 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.041 -2.638 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.613 -1.807 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.914 -0.168 -5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.701 0.534 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.186 1.235 -4.961 1.00 0.00 H new ATOM 1215 N GLU A 79 -11.524 -1.045 -2.380 1.00 0.00 N ATOM 1216 CA GLU A 79 -10.525 -1.944 -1.838 1.00 0.00 C ATOM 1217 C GLU A 79 -9.246 -1.214 -1.498 1.00 0.00 C ATOM 1218 O GLU A 79 -8.922 -0.186 -2.088 1.00 0.00 O ATOM 1219 CB GLU A 79 -10.197 -3.066 -2.821 1.00 0.00 C ATOM 1220 CG GLU A 79 -11.323 -4.054 -3.036 1.00 0.00 C ATOM 1221 CD GLU A 79 -10.833 -5.326 -3.687 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -10.282 -6.184 -2.965 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -10.978 -5.464 -4.917 1.00 0.00 O ATOM 0 H GLU A 79 -11.236 -0.555 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.951 -2.367 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.928 -2.625 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.321 -3.604 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.787 -4.291 -2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.092 -3.599 -3.660 1.00 0.00 H new ATOM 1230 N ILE A 80 -8.530 -1.771 -0.544 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.212 -1.296 -0.175 1.00 0.00 C ATOM 1232 C ILE A 80 -6.260 -2.494 -0.215 1.00 0.00 C ATOM 1233 O ILE A 80 -5.164 -2.478 0.334 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.250 -0.642 1.232 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -5.905 -0.003 1.591 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -7.655 -1.661 2.283 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -5.909 0.715 2.924 1.00 0.00 C ATOM 0 H ILE A 80 -8.848 -2.572 0.002 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.865 -0.531 -0.870 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.997 0.151 1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.138 -0.777 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.628 0.704 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.676 -1.184 3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.645 -2.052 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.935 -2.479 2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.923 1.142 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.652 1.512 2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.154 0.009 3.717 1.00 0.00 H new ATOM 1249 N SER A 81 -6.715 -3.531 -0.915 1.00 0.00 N ATOM 1250 CA SER A 81 -6.011 -4.801 -1.000 1.00 0.00 C ATOM 1251 C SER A 81 -4.657 -4.652 -1.700 1.00 0.00 C ATOM 1252 O SER A 81 -4.554 -4.009 -2.748 1.00 0.00 O ATOM 1253 CB SER A 81 -6.886 -5.808 -1.748 1.00 0.00 C ATOM 1254 OG SER A 81 -8.190 -5.868 -1.183 1.00 0.00 O ATOM 0 H SER A 81 -7.589 -3.510 -1.441 1.00 0.00 H new ATOM 0 HA SER A 81 -5.815 -5.157 0.012 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.954 -5.527 -2.799 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.424 -6.795 -1.711 1.00 0.00 H new ATOM 0 HG SER A 81 -8.851 -5.978 -1.898 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.601 -5.258 -1.133 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.686 -6.031 0.109 1.00 0.00 C ATOM 1262 C PRO A 82 -3.802 -5.131 1.335 1.00 0.00 C ATOM 1263 O PRO A 82 -3.052 -4.173 1.482 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.367 -6.818 0.147 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.682 -6.541 -1.155 1.00 0.00 C ATOM 1266 CD PRO A 82 -2.234 -5.239 -1.654 1.00 0.00 C ATOM 0 HA PRO A 82 -4.570 -6.668 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.749 -6.503 0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.553 -7.885 0.271 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.602 -6.479 -1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.869 -7.342 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.668 -4.387 -1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.215 -5.180 -2.742 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.738 -5.459 2.216 1.00 0.00 N ATOM 1275 CA ARG A 83 -5.005 -4.646 3.396 1.00 0.00 C ATOM 1276 C ARG A 83 -3.877 -4.786 4.406 1.00 0.00 C ATOM 1277 O ARG A 83 -3.496 -3.824 5.075 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.324 -5.077 4.034 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.523 -4.907 3.121 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.776 -5.500 3.732 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.738 -6.961 3.744 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.227 -7.707 4.730 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -9.671 -7.131 5.839 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -9.245 -9.027 4.618 1.00 0.00 N ATOM 0 H ARG A 83 -5.328 -6.287 2.135 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.074 -3.602 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.250 -6.123 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.485 -4.498 4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.681 -3.847 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.323 -5.386 2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.892 -5.132 4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.648 -5.164 3.170 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.311 -7.436 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.637 -6.116 5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.046 -7.703 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.883 -9.472 3.775 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.620 -9.598 5.375 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.361 -5.999 4.518 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.269 -6.296 5.431 1.00 0.00 C ATOM 1300 C VAL A 84 -1.229 -7.145 4.705 1.00 0.00 C ATOM 1301 O VAL A 84 -1.585 -8.069 3.966 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.768 -7.051 6.688 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.685 -7.108 7.749 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -4.028 -6.412 7.254 1.00 0.00 C ATOM 0 H VAL A 84 -3.686 -6.803 3.981 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.829 -5.354 5.759 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.012 -8.069 6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.059 -7.643 8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.813 -7.627 7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.404 -6.095 8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.352 -6.965 8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.819 -5.379 7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.816 -6.434 6.502 1.00 0.00 H new ATOM 1314 N VAL A 85 0.044 -6.822 4.890 1.00 0.00 N ATOM 1315 CA VAL A 85 1.120 -7.542 4.219 1.00 0.00 C ATOM 1316 C VAL A 85 2.183 -7.991 5.212 1.00 0.00 C ATOM 1317 O VAL A 85 2.517 -7.273 6.156 1.00 0.00 O ATOM 1318 CB VAL A 85 1.789 -6.694 3.112 1.00 0.00 C ATOM 1319 CG1 VAL A 85 0.822 -6.436 1.969 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.317 -5.381 3.674 1.00 0.00 C ATOM 0 H VAL A 85 0.358 -6.066 5.499 1.00 0.00 H new ATOM 0 HA VAL A 85 0.661 -8.415 3.755 1.00 0.00 H new ATOM 0 HB VAL A 85 2.635 -7.261 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.315 -5.838 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.505 -7.386 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.049 -5.899 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.782 -4.804 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.492 -4.810 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.055 -5.588 4.449 1.00 0.00 H new ATOM 1330 N THR A 86 2.714 -9.179 4.997 1.00 0.00 N ATOM 1331 CA THR A 86 3.741 -9.715 5.866 1.00 0.00 C ATOM 1332 C THR A 86 5.122 -9.304 5.363 1.00 0.00 C ATOM 1333 O THR A 86 5.582 -9.770 4.319 1.00 0.00 O ATOM 1334 CB THR A 86 3.640 -11.249 5.951 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.277 -11.629 6.209 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.538 -11.795 7.053 1.00 0.00 C ATOM 0 H THR A 86 2.450 -9.792 4.226 1.00 0.00 H new ATOM 0 HA THR A 86 3.592 -9.307 6.866 1.00 0.00 H new ATOM 0 HB THR A 86 3.968 -11.668 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.863 -10.975 6.810 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.448 -12.881 7.092 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.573 -11.524 6.846 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.237 -11.372 8.011 1.00 0.00 H new ATOM 1344 N LEU A 87 5.767 -8.415 6.100 1.00 0.00 N ATOM 1345 CA LEU A 87 7.056 -7.883 5.696 1.00 0.00 C ATOM 1346 C LEU A 87 8.180 -8.579 6.443 1.00 0.00 C ATOM 1347 O LEU A 87 8.192 -8.621 7.678 1.00 0.00 O ATOM 1348 CB LEU A 87 7.119 -6.376 5.947 1.00 0.00 C ATOM 1349 CG LEU A 87 6.106 -5.541 5.161 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.230 -4.073 5.531 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.300 -5.732 3.663 1.00 0.00 C ATOM 0 H LEU A 87 5.417 -8.046 6.984 1.00 0.00 H new ATOM 0 HA LEU A 87 7.178 -8.067 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.967 -6.195 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.122 -6.025 5.703 1.00 0.00 H new ATOM 0 HG LEU A 87 5.104 -5.881 5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.503 -3.492 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.041 -3.949 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.236 -3.723 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.570 -5.130 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.306 -5.420 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.163 -6.783 3.409 1.00 0.00 H new ATOM 1363 N GLN A 88 9.117 -9.129 5.691 1.00 0.00 N ATOM 1364 CA GLN A 88 10.269 -9.795 6.268 1.00 0.00 C ATOM 1365 C GLN A 88 11.363 -8.779 6.566 1.00 0.00 C ATOM 1366 O GLN A 88 12.091 -8.349 5.668 1.00 0.00 O ATOM 1367 CB GLN A 88 10.794 -10.871 5.317 1.00 0.00 C ATOM 1368 CG GLN A 88 9.751 -11.916 4.961 1.00 0.00 C ATOM 1369 CD GLN A 88 10.258 -12.952 3.977 1.00 0.00 C ATOM 1370 OE1 GLN A 88 11.110 -12.669 3.131 1.00 0.00 O ATOM 1371 NE2 GLN A 88 9.736 -14.162 4.086 1.00 0.00 N ATOM 0 H GLN A 88 9.101 -9.126 4.671 1.00 0.00 H new ATOM 0 HA GLN A 88 9.966 -10.273 7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.150 -10.396 4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.652 -11.364 5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.423 -12.418 5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.877 -11.419 4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.034 -14.352 4.801 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.036 -14.905 3.455 1.00 0.00 H new ATOM 1380 N LEU A 89 11.447 -8.364 7.818 1.00 0.00 N ATOM 1381 CA LEU A 89 12.483 -7.445 8.242 1.00 0.00 C ATOM 1382 C LEU A 89 13.648 -8.216 8.828 1.00 0.00 C ATOM 1383 O LEU A 89 13.455 -9.197 9.543 1.00 0.00 O ATOM 1384 CB LEU A 89 11.950 -6.468 9.291 1.00 0.00 C ATOM 1385 CG LEU A 89 10.819 -5.556 8.830 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.258 -4.780 10.008 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.310 -4.603 7.756 1.00 0.00 C ATOM 0 H LEU A 89 10.807 -8.651 8.559 1.00 0.00 H new ATOM 0 HA LEU A 89 12.813 -6.881 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.603 -7.041 10.151 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.776 -5.846 9.635 1.00 0.00 H new ATOM 0 HG LEU A 89 10.026 -6.173 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.451 -4.132 9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.873 -5.477 10.753 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.047 -4.173 10.453 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.490 -3.959 7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.118 -3.990 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.675 -5.174 6.902 1.00 0.00 H new ATOM 1399 N GLU A 90 14.850 -7.782 8.519 1.00 0.00 N ATOM 1400 CA GLU A 90 16.027 -8.365 9.130 1.00 0.00 C ATOM 1401 C GLU A 90 16.756 -7.296 9.934 1.00 0.00 C ATOM 1402 O GLU A 90 16.349 -6.130 9.946 1.00 0.00 O ATOM 1403 CB GLU A 90 16.960 -8.994 8.084 1.00 0.00 C ATOM 1404 CG GLU A 90 17.916 -10.014 8.689 1.00 0.00 C ATOM 1405 CD GLU A 90 18.955 -10.535 7.719 1.00 0.00 C ATOM 1406 OE1 GLU A 90 20.010 -9.886 7.572 1.00 0.00 O ATOM 1407 OE2 GLU A 90 18.751 -11.625 7.150 1.00 0.00 O ATOM 0 H GLU A 90 15.039 -7.033 7.853 1.00 0.00 H new ATOM 0 HA GLU A 90 15.711 -9.169 9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.361 -9.477 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.535 -8.207 7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.424 -9.561 9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.338 -10.855 9.073 1.00 0.00 H new ATOM 1414 N HIS A 91 17.821 -7.695 10.606 1.00 0.00 N ATOM 1415 CA HIS A 91 18.569 -6.795 11.466 1.00 0.00 C ATOM 1416 C HIS A 91 19.543 -5.975 10.635 1.00 0.00 C ATOM 1417 O HIS A 91 20.018 -6.436 9.599 1.00 0.00 O ATOM 1418 CB HIS A 91 19.334 -7.591 12.535 1.00 0.00 C ATOM 1419 CG HIS A 91 18.453 -8.366 13.470 1.00 0.00 C ATOM 1420 ND1 HIS A 91 18.382 -8.115 14.822 1.00 0.00 N ATOM 1421 CD2 HIS A 91 17.615 -9.405 13.241 1.00 0.00 C ATOM 1422 CE1 HIS A 91 17.541 -8.964 15.382 1.00 0.00 C ATOM 1423 NE2 HIS A 91 17.060 -9.756 14.444 1.00 0.00 N ATOM 0 H HIS A 91 18.190 -8.645 10.572 1.00 0.00 H new ATOM 0 HA HIS A 91 17.869 -6.123 11.963 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.016 -8.282 12.039 1.00 0.00 H new ATOM 0 HB3 HIS A 91 19.946 -6.902 13.117 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.420 -9.871 12.286 1.00 0.00 H new ATOM 0 HE1 HIS A 91 17.289 -9.003 16.432 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.385 -10.507 14.590 1.00 0.00 H new ATOM 1432 N HIS A 92 19.863 -4.772 11.099 1.00 0.00 N ATOM 1433 CA HIS A 92 20.820 -3.918 10.393 1.00 0.00 C ATOM 1434 C HIS A 92 22.251 -4.368 10.704 1.00 0.00 C ATOM 1435 O HIS A 92 23.217 -3.629 10.511 1.00 0.00 O ATOM 1436 CB HIS A 92 20.612 -2.430 10.746 1.00 0.00 C ATOM 1437 CG HIS A 92 21.110 -2.006 12.103 1.00 0.00 C ATOM 1438 ND1 HIS A 92 22.147 -1.113 12.273 1.00 0.00 N ATOM 1439 CD2 HIS A 92 20.693 -2.327 13.349 1.00 0.00 C ATOM 1440 CE1 HIS A 92 22.344 -0.909 13.560 1.00 0.00 C ATOM 1441 NE2 HIS A 92 21.475 -1.631 14.238 1.00 0.00 N ATOM 0 H HIS A 92 19.480 -4.366 11.953 1.00 0.00 H new ATOM 0 HA HIS A 92 20.649 -4.020 9.321 1.00 0.00 H new ATOM 0 HB2 HIS A 92 21.110 -1.823 9.990 1.00 0.00 H new ATOM 0 HB3 HIS A 92 19.547 -2.206 10.684 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.892 -3.006 13.599 1.00 0.00 H new ATOM 0 HE1 HIS A 92 23.093 -0.259 13.988 1.00 0.00 H new ATOM 0 HE2 HIS A 92 21.396 -1.667 15.254 1.00 0.00 H new