USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 805 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 55 SER OG : rot 98:sc= -0.662 USER MOD Set 1.2: A 64 HIS : no HD1:sc= 0.0843 X(o=-0.58,f=-1.1) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -4.97! C(o=-4.5!,f=-5.6!) USER MOD Set 2.2: A 39 THR OG1 : rot -146:sc= 0.441 USER MOD Set 3.1: A 23 MET CE :methyl 167:sc= -0.975 (180deg=-1.42) USER MOD Set 3.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -20:sc= 0.982 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0147 USER MOD Single : A 22 ASN : amide:sc= -1.41! C(o=-1.4!,f=-3!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 27 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.83) USER MOD Single : A 30 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 144:sc= 1.38 USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= -0.0892 (180deg=-1.24) USER MOD Single : A 59 ASN : amide:sc= -5.08! C(o=-5.1!,f=-8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.06 X(o=-0.06,f=-0.3) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot -46:sc= 0.429 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -150:sc=-0.00758 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 130:sc= -0.771 USER MOD Single : A 93 GLN : amide:sc= -4.65 K(o=-4.7,f=-6.4!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -2.92! C(o=-2.9!,f=-13!) USER MOD Single : A 96 SER OG : rot 166:sc= 0.348 USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= 0.653 (180deg=0.595) USER MOD Single : A 100 SER OG : rot 93:sc= 0.407 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc=-0.00477 K(o=-0.0048,f=-1.1) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -66:sc= 0.422 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 2.345 -11.164 -8.838 1.00 0.00 N ATOM 117 CA ILE A 11 2.491 -9.923 -9.588 1.00 0.00 C ATOM 118 C ILE A 11 3.709 -9.135 -9.115 1.00 0.00 C ATOM 119 O ILE A 11 3.921 -8.962 -7.915 1.00 0.00 O ATOM 120 CB ILE A 11 1.239 -9.036 -9.460 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.002 -9.799 -9.930 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.414 -7.754 -10.259 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.303 -9.173 -9.478 1.00 0.00 C ATOM 0 HA ILE A 11 2.624 -10.201 -10.634 1.00 0.00 H new ATOM 0 HB ILE A 11 1.104 -8.771 -8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.006 -9.855 -11.019 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.048 -10.822 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.521 -7.138 -10.158 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.277 -7.206 -9.882 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.570 -7.999 -11.310 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.140 -9.766 -9.847 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.333 -9.142 -8.389 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.375 -8.159 -9.872 1.00 0.00 H new ATOM 135 N ASP A 12 4.504 -8.658 -10.066 1.00 0.00 N ATOM 136 CA ASP A 12 5.699 -7.885 -9.747 1.00 0.00 C ATOM 137 C ASP A 12 5.330 -6.470 -9.311 1.00 0.00 C ATOM 138 O ASP A 12 5.209 -5.566 -10.137 1.00 0.00 O ATOM 139 CB ASP A 12 6.634 -7.831 -10.955 1.00 0.00 C ATOM 140 CG ASP A 12 7.954 -7.157 -10.636 1.00 0.00 C ATOM 141 OD1 ASP A 12 8.000 -6.373 -9.665 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.941 -7.413 -11.357 1.00 0.00 O ATOM 0 H ASP A 12 4.343 -8.793 -11.064 1.00 0.00 H new ATOM 0 HA ASP A 12 6.212 -8.379 -8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.823 -8.844 -11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.143 -7.295 -11.767 1.00 0.00 H new ATOM 147 N TYR A 13 5.153 -6.287 -8.006 1.00 0.00 N ATOM 148 CA TYR A 13 4.795 -4.983 -7.460 1.00 0.00 C ATOM 149 C TYR A 13 6.004 -4.052 -7.435 1.00 0.00 C ATOM 150 O TYR A 13 5.880 -2.847 -7.656 1.00 0.00 O ATOM 151 CB TYR A 13 4.227 -5.137 -6.049 1.00 0.00 C ATOM 152 CG TYR A 13 3.131 -6.173 -5.947 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.958 -6.047 -6.683 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.266 -7.279 -5.117 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.953 -6.991 -6.592 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.267 -8.229 -5.022 1.00 0.00 C ATOM 157 CZ TYR A 13 1.112 -8.079 -5.762 1.00 0.00 C ATOM 158 OH TYR A 13 0.115 -9.022 -5.669 1.00 0.00 O ATOM 0 H TYR A 13 5.252 -7.024 -7.308 1.00 0.00 H new ATOM 0 HA TYR A 13 4.034 -4.543 -8.105 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.035 -5.407 -5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.838 -4.175 -5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.830 -5.197 -7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.168 -7.398 -4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.047 -6.876 -7.169 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.389 -9.083 -4.373 1.00 0.00 H new ATOM 0 HH TYR A 13 0.386 -9.724 -5.042 1.00 0.00 H new ATOM 168 N THR A 14 7.175 -4.621 -7.164 1.00 0.00 N ATOM 169 CA THR A 14 8.407 -3.844 -7.109 1.00 0.00 C ATOM 170 C THR A 14 8.704 -3.188 -8.452 1.00 0.00 C ATOM 171 O THR A 14 9.610 -2.362 -8.563 1.00 0.00 O ATOM 172 CB THR A 14 9.606 -4.722 -6.701 1.00 0.00 C ATOM 173 OG1 THR A 14 9.851 -5.712 -7.706 1.00 0.00 O ATOM 174 CG2 THR A 14 9.351 -5.400 -5.364 1.00 0.00 C ATOM 0 H THR A 14 7.296 -5.617 -6.979 1.00 0.00 H new ATOM 0 HA THR A 14 8.260 -3.070 -6.356 1.00 0.00 H new ATOM 0 HB THR A 14 10.482 -4.080 -6.602 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.045 -5.831 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.211 -6.014 -5.098 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.194 -4.643 -4.596 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.465 -6.030 -5.439 1.00 0.00 H new ATOM 182 N ALA A 15 7.936 -3.561 -9.470 1.00 0.00 N ATOM 183 CA ALA A 15 8.116 -3.006 -10.806 1.00 0.00 C ATOM 184 C ALA A 15 7.556 -1.591 -10.892 1.00 0.00 C ATOM 185 O ALA A 15 8.007 -0.782 -11.703 1.00 0.00 O ATOM 186 CB ALA A 15 7.454 -3.902 -11.843 1.00 0.00 C ATOM 0 H ALA A 15 7.183 -4.245 -9.395 1.00 0.00 H new ATOM 0 HA ALA A 15 9.185 -2.959 -11.012 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.596 -3.476 -12.836 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.903 -4.894 -11.806 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.388 -3.979 -11.630 1.00 0.00 H new ATOM 192 N TYR A 16 6.569 -1.298 -10.053 1.00 0.00 N ATOM 193 CA TYR A 16 5.946 0.021 -10.037 1.00 0.00 C ATOM 194 C TYR A 16 6.834 1.035 -9.324 1.00 0.00 C ATOM 195 O TYR A 16 7.558 0.712 -8.383 1.00 0.00 O ATOM 196 CB TYR A 16 4.578 -0.047 -9.352 1.00 0.00 C ATOM 197 CG TYR A 16 3.511 -0.705 -10.197 1.00 0.00 C ATOM 198 CD1 TYR A 16 2.914 -0.025 -11.251 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.098 -2.006 -9.940 1.00 0.00 C ATOM 200 CE1 TYR A 16 1.938 -0.623 -12.025 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.123 -2.612 -10.708 1.00 0.00 C ATOM 202 CZ TYR A 16 1.546 -1.916 -11.750 1.00 0.00 C ATOM 203 OH TYR A 16 0.574 -2.515 -12.518 1.00 0.00 O ATOM 0 H TYR A 16 6.183 -1.955 -9.375 1.00 0.00 H new ATOM 0 HA TYR A 16 5.813 0.345 -11.069 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.677 -0.595 -8.415 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.257 0.963 -9.098 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.218 0.988 -11.469 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.547 -2.554 -9.125 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.484 -0.080 -12.841 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.814 -3.625 -10.494 1.00 0.00 H new ATOM 0 HH TYR A 16 0.415 -3.426 -12.193 1.00 0.00 H new ATOM 213 N PRO A 17 6.778 2.294 -9.782 1.00 0.00 N ATOM 214 CA PRO A 17 7.569 3.384 -9.203 1.00 0.00 C ATOM 215 C PRO A 17 7.093 3.767 -7.807 1.00 0.00 C ATOM 216 O PRO A 17 7.888 4.180 -6.962 1.00 0.00 O ATOM 217 CB PRO A 17 7.348 4.541 -10.180 1.00 0.00 C ATOM 218 CG PRO A 17 6.035 4.250 -10.821 1.00 0.00 C ATOM 219 CD PRO A 17 5.936 2.751 -10.901 1.00 0.00 C ATOM 0 HA PRO A 17 8.616 3.107 -9.080 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.331 5.500 -9.661 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.147 4.593 -10.920 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.214 4.665 -10.235 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.977 4.698 -11.813 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.906 2.410 -10.795 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.299 2.375 -11.857 1.00 0.00 H new ATOM 227 N TRP A 18 5.794 3.627 -7.571 1.00 0.00 N ATOM 228 CA TRP A 18 5.213 3.959 -6.274 1.00 0.00 C ATOM 229 C TRP A 18 5.604 2.928 -5.222 1.00 0.00 C ATOM 230 O TRP A 18 5.187 3.016 -4.067 1.00 0.00 O ATOM 231 CB TRP A 18 3.689 4.042 -6.382 1.00 0.00 C ATOM 232 CG TRP A 18 3.081 2.881 -7.109 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.509 2.899 -8.349 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.982 1.532 -6.638 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.061 1.642 -8.678 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.340 0.786 -7.647 1.00 0.00 C ATOM 237 CE3 TRP A 18 3.376 0.882 -5.467 1.00 0.00 C ATOM 238 CZ2 TRP A 18 2.083 -0.576 -7.514 1.00 0.00 C ATOM 239 CZ3 TRP A 18 3.119 -0.469 -5.336 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.479 -1.188 -6.356 1.00 0.00 C ATOM 0 H TRP A 18 5.123 3.286 -8.259 1.00 0.00 H new ATOM 0 HA TRP A 18 5.603 4.929 -5.967 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.263 4.097 -5.380 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.418 4.965 -6.895 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.422 3.772 -8.978 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.596 1.388 -9.550 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.873 1.426 -4.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.588 -1.130 -8.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.416 -0.980 -4.432 1.00 0.00 H new ATOM 0 HH2 TRP A 18 2.295 -2.244 -6.225 1.00 0.00 H new ATOM 251 N PHE A 19 6.410 1.951 -5.627 1.00 0.00 N ATOM 252 CA PHE A 19 6.858 0.903 -4.718 1.00 0.00 C ATOM 253 C PHE A 19 8.076 1.358 -3.920 1.00 0.00 C ATOM 254 O PHE A 19 9.011 1.937 -4.472 1.00 0.00 O ATOM 255 CB PHE A 19 7.192 -0.369 -5.499 1.00 0.00 C ATOM 256 CG PHE A 19 8.042 -1.339 -4.729 1.00 0.00 C ATOM 257 CD1 PHE A 19 9.424 -1.237 -4.748 1.00 0.00 C ATOM 258 CD2 PHE A 19 7.459 -2.354 -3.988 1.00 0.00 C ATOM 259 CE1 PHE A 19 10.209 -2.127 -4.041 1.00 0.00 C ATOM 260 CE2 PHE A 19 8.240 -3.247 -3.278 1.00 0.00 C ATOM 261 CZ PHE A 19 9.615 -3.134 -3.305 1.00 0.00 C ATOM 0 H PHE A 19 6.766 1.864 -6.579 1.00 0.00 H new ATOM 0 HA PHE A 19 6.048 0.691 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.264 -0.862 -5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.709 -0.096 -6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.893 -0.452 -5.323 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.383 -2.449 -3.965 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.285 -2.036 -4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.774 -4.033 -2.702 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.226 -3.832 -2.752 1.00 0.00 H new ATOM 271 N ALA A 20 8.056 1.094 -2.619 1.00 0.00 N ATOM 272 CA ALA A 20 9.158 1.475 -1.745 1.00 0.00 C ATOM 273 C ALA A 20 9.895 0.246 -1.221 1.00 0.00 C ATOM 274 O ALA A 20 11.120 0.167 -1.295 1.00 0.00 O ATOM 275 CB ALA A 20 8.646 2.318 -0.586 1.00 0.00 C ATOM 0 H ALA A 20 7.288 0.617 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 20 9.862 2.068 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.480 2.595 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.172 3.220 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.919 1.744 -0.012 1.00 0.00 H new ATOM 281 N GLY A 21 9.137 -0.711 -0.694 1.00 0.00 N ATOM 282 CA GLY A 21 9.736 -1.923 -0.166 1.00 0.00 C ATOM 283 C GLY A 21 9.498 -2.088 1.321 1.00 0.00 C ATOM 284 O GLY A 21 8.437 -1.728 1.830 1.00 0.00 O ATOM 0 H GLY A 21 8.120 -0.669 -0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.329 -2.785 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.809 -1.908 -0.360 1.00 0.00 H new ATOM 288 N ASN A 22 10.486 -2.636 2.021 1.00 0.00 N ATOM 289 CA ASN A 22 10.377 -2.849 3.460 1.00 0.00 C ATOM 290 C ASN A 22 10.989 -1.683 4.230 1.00 0.00 C ATOM 291 O ASN A 22 11.862 -1.875 5.077 1.00 0.00 O ATOM 292 CB ASN A 22 11.068 -4.155 3.856 1.00 0.00 C ATOM 293 CG ASN A 22 11.149 -4.334 5.360 1.00 0.00 C ATOM 294 OD1 ASN A 22 10.387 -3.723 6.110 1.00 0.00 O ATOM 295 ND2 ASN A 22 12.074 -5.174 5.808 1.00 0.00 N ATOM 0 H ASN A 22 11.371 -2.941 1.615 1.00 0.00 H new ATOM 0 HA ASN A 22 9.319 -2.914 3.714 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.527 -4.995 3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.074 -4.172 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.175 -5.334 6.810 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.684 -5.659 5.150 1.00 0.00 H new ATOM 302 N MET A 23 10.523 -0.474 3.932 1.00 0.00 N ATOM 303 CA MET A 23 11.023 0.723 4.598 1.00 0.00 C ATOM 304 C MET A 23 10.486 0.816 6.023 1.00 0.00 C ATOM 305 O MET A 23 9.802 -0.089 6.498 1.00 0.00 O ATOM 306 CB MET A 23 10.631 1.973 3.809 1.00 0.00 C ATOM 307 CG MET A 23 9.193 2.410 4.038 1.00 0.00 C ATOM 308 SD MET A 23 8.482 3.237 2.602 1.00 0.00 S ATOM 309 CE MET A 23 9.414 4.765 2.596 1.00 0.00 C ATOM 0 H MET A 23 9.800 -0.298 3.234 1.00 0.00 H new ATOM 0 HA MET A 23 12.110 0.657 4.642 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.298 2.790 4.083 1.00 0.00 H new ATOM 0 HB3 MET A 23 10.780 1.783 2.746 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.588 1.538 4.287 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.153 3.081 4.896 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.261 5.281 1.648 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.075 5.401 3.414 1.00 0.00 H new ATOM 0 HE3 MET A 23 10.474 4.545 2.722 1.00 0.00 H new ATOM 319 N GLU A 24 10.799 1.918 6.698 1.00 0.00 N ATOM 320 CA GLU A 24 10.348 2.127 8.069 1.00 0.00 C ATOM 321 C GLU A 24 9.263 3.199 8.126 1.00 0.00 C ATOM 322 O GLU A 24 9.339 4.212 7.430 1.00 0.00 O ATOM 323 CB GLU A 24 11.524 2.529 8.961 1.00 0.00 C ATOM 324 CG GLU A 24 12.457 1.376 9.294 1.00 0.00 C ATOM 325 CD GLU A 24 13.628 1.802 10.157 1.00 0.00 C ATOM 326 OE1 GLU A 24 13.453 2.730 10.976 1.00 0.00 O ATOM 327 OE2 GLU A 24 14.718 1.210 10.016 1.00 0.00 O ATOM 0 H GLU A 24 11.362 2.679 6.318 1.00 0.00 H new ATOM 0 HA GLU A 24 9.929 1.189 8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.094 3.315 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.138 2.952 9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.896 0.597 9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.833 0.939 8.369 1.00 0.00 H new ATOM 334 N ARG A 25 8.254 2.969 8.960 1.00 0.00 N ATOM 335 CA ARG A 25 7.154 3.912 9.108 1.00 0.00 C ATOM 336 C ARG A 25 7.674 5.344 9.202 1.00 0.00 C ATOM 337 O ARG A 25 7.237 6.223 8.460 1.00 0.00 O ATOM 338 CB ARG A 25 6.328 3.576 10.351 1.00 0.00 C ATOM 339 CG ARG A 25 5.637 2.225 10.275 1.00 0.00 C ATOM 340 CD ARG A 25 4.480 2.134 11.257 1.00 0.00 C ATOM 341 NE ARG A 25 4.921 1.717 12.587 1.00 0.00 N ATOM 342 CZ ARG A 25 5.120 0.450 12.930 1.00 0.00 C ATOM 343 NH1 ARG A 25 4.918 -0.519 12.048 1.00 0.00 N ATOM 344 NH2 ARG A 25 5.521 0.150 14.159 1.00 0.00 N ATOM 0 H ARG A 25 8.176 2.136 9.544 1.00 0.00 H new ATOM 0 HA ARG A 25 6.519 3.831 8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.979 3.593 11.225 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.576 4.352 10.498 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.270 2.060 9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.357 1.435 10.486 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.986 3.103 11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.741 1.426 10.882 1.00 0.00 H new ATOM 0 HE ARG A 25 5.085 2.438 13.289 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.609 -0.292 11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.072 -1.491 12.315 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.676 0.893 14.840 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.674 -0.824 14.422 1.00 0.00 H new ATOM 358 N GLN A 26 8.609 5.569 10.119 1.00 0.00 N ATOM 359 CA GLN A 26 9.187 6.894 10.310 1.00 0.00 C ATOM 360 C GLN A 26 9.689 7.465 8.988 1.00 0.00 C ATOM 361 O GLN A 26 9.367 8.598 8.629 1.00 0.00 O ATOM 362 CB GLN A 26 10.335 6.832 11.320 1.00 0.00 C ATOM 363 CG GLN A 26 10.842 8.199 11.749 1.00 0.00 C ATOM 364 CD GLN A 26 11.716 8.136 12.987 1.00 0.00 C ATOM 365 OE1 GLN A 26 12.451 7.171 13.192 1.00 0.00 O ATOM 366 NE2 GLN A 26 11.638 9.167 13.820 1.00 0.00 N ATOM 0 H GLN A 26 8.982 4.852 10.741 1.00 0.00 H new ATOM 0 HA GLN A 26 8.407 7.550 10.696 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.003 6.284 12.202 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.160 6.268 10.886 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.408 8.645 10.931 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.992 8.853 11.942 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.014 9.946 13.610 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.202 9.180 14.670 1.00 0.00 H new ATOM 375 N GLN A 27 10.478 6.674 8.269 1.00 0.00 N ATOM 376 CA GLN A 27 11.024 7.103 6.986 1.00 0.00 C ATOM 377 C GLN A 27 9.921 7.620 6.069 1.00 0.00 C ATOM 378 O GLN A 27 10.070 8.659 5.425 1.00 0.00 O ATOM 379 CB GLN A 27 11.765 5.947 6.311 1.00 0.00 C ATOM 380 CG GLN A 27 13.253 5.914 6.620 1.00 0.00 C ATOM 381 CD GLN A 27 13.837 4.517 6.530 1.00 0.00 C ATOM 382 OE1 GLN A 27 14.239 3.935 7.538 1.00 0.00 O ATOM 383 NE2 GLN A 27 13.885 3.971 5.321 1.00 0.00 N ATOM 0 H GLN A 27 10.754 5.734 8.552 1.00 0.00 H new ATOM 0 HA GLN A 27 11.726 7.916 7.173 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.316 5.005 6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.628 6.020 5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.779 6.569 5.926 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.421 6.310 7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.541 4.490 4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.266 3.033 5.200 1.00 0.00 H new ATOM 392 N THR A 28 8.812 6.889 6.016 1.00 0.00 N ATOM 393 CA THR A 28 7.683 7.273 5.178 1.00 0.00 C ATOM 394 C THR A 28 7.161 8.654 5.557 1.00 0.00 C ATOM 395 O THR A 28 6.993 9.522 4.699 1.00 0.00 O ATOM 396 CB THR A 28 6.532 6.254 5.284 1.00 0.00 C ATOM 397 OG1 THR A 28 7.040 4.924 5.128 1.00 0.00 O ATOM 398 CG2 THR A 28 5.472 6.524 4.227 1.00 0.00 C ATOM 0 H THR A 28 8.672 6.027 6.544 1.00 0.00 H new ATOM 0 HA THR A 28 8.046 7.295 4.150 1.00 0.00 H new ATOM 0 HB THR A 28 6.075 6.355 6.269 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.303 4.282 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.670 5.792 4.321 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.067 7.526 4.366 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.919 6.447 3.236 1.00 0.00 H new ATOM 406 N ASP A 29 6.906 8.851 6.846 1.00 0.00 N ATOM 407 CA ASP A 29 6.404 10.129 7.339 1.00 0.00 C ATOM 408 C ASP A 29 7.468 11.216 7.213 1.00 0.00 C ATOM 409 O ASP A 29 7.150 12.392 7.046 1.00 0.00 O ATOM 410 CB ASP A 29 5.961 9.997 8.796 1.00 0.00 C ATOM 411 CG ASP A 29 5.449 11.306 9.366 1.00 0.00 C ATOM 412 OD1 ASP A 29 6.154 12.328 9.230 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.344 11.308 9.947 1.00 0.00 O ATOM 0 H ASP A 29 7.038 8.143 7.568 1.00 0.00 H new ATOM 0 HA ASP A 29 5.546 10.415 6.731 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.178 9.242 8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.799 9.645 9.397 1.00 0.00 H new ATOM 418 N ASN A 30 8.732 10.812 7.295 1.00 0.00 N ATOM 419 CA ASN A 30 9.842 11.751 7.192 1.00 0.00 C ATOM 420 C ASN A 30 10.008 12.243 5.758 1.00 0.00 C ATOM 421 O ASN A 30 10.339 13.406 5.522 1.00 0.00 O ATOM 422 CB ASN A 30 11.138 11.096 7.673 1.00 0.00 C ATOM 423 CG ASN A 30 11.194 10.960 9.182 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.244 11.310 9.882 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.308 10.448 9.689 1.00 0.00 N ATOM 0 H ASN A 30 9.012 9.841 7.432 1.00 0.00 H new ATOM 0 HA ASN A 30 9.620 12.609 7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.233 10.110 7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.988 11.687 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.402 10.331 10.698 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.070 10.172 9.070 1.00 0.00 H new ATOM 432 N LEU A 31 9.775 11.350 4.802 1.00 0.00 N ATOM 433 CA LEU A 31 9.898 11.692 3.389 1.00 0.00 C ATOM 434 C LEU A 31 8.578 12.224 2.841 1.00 0.00 C ATOM 435 O LEU A 31 8.559 13.016 1.898 1.00 0.00 O ATOM 436 CB LEU A 31 10.339 10.468 2.585 1.00 0.00 C ATOM 437 CG LEU A 31 9.254 9.434 2.285 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.578 9.738 0.958 1.00 0.00 C ATOM 439 CD2 LEU A 31 9.843 8.030 2.275 1.00 0.00 C ATOM 0 H LEU A 31 9.500 10.384 4.980 1.00 0.00 H new ATOM 0 HA LEU A 31 10.652 12.474 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.757 10.811 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.144 9.973 3.128 1.00 0.00 H new ATOM 0 HG LEU A 31 8.502 9.487 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.809 8.991 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.121 10.727 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.319 9.715 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.056 7.307 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.615 7.965 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.280 7.812 3.250 1.00 0.00 H new ATOM 451 N LEU A 32 7.475 11.787 3.440 1.00 0.00 N ATOM 452 CA LEU A 32 6.150 12.223 3.014 1.00 0.00 C ATOM 453 C LEU A 32 5.823 13.603 3.573 1.00 0.00 C ATOM 454 O LEU A 32 5.374 14.490 2.846 1.00 0.00 O ATOM 455 CB LEU A 32 5.091 11.215 3.464 1.00 0.00 C ATOM 456 CG LEU A 32 4.978 9.941 2.625 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.844 9.065 3.136 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.768 10.285 1.158 1.00 0.00 C ATOM 0 H LEU A 32 7.472 11.132 4.222 1.00 0.00 H new ATOM 0 HA LEU A 32 6.148 12.283 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.304 10.930 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.121 11.713 3.465 1.00 0.00 H new ATOM 0 HG LEU A 32 5.911 9.384 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.778 8.163 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.036 8.790 4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.904 9.614 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.690 9.366 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.851 10.863 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.613 10.872 0.797 1.00 0.00 H new ATOM 470 N LYS A 33 6.053 13.780 4.869 1.00 0.00 N ATOM 471 CA LYS A 33 5.789 15.054 5.528 1.00 0.00 C ATOM 472 C LYS A 33 6.101 16.222 4.598 1.00 0.00 C ATOM 473 O LYS A 33 5.473 17.278 4.680 1.00 0.00 O ATOM 474 CB LYS A 33 6.617 15.172 6.809 1.00 0.00 C ATOM 475 CG LYS A 33 8.113 15.062 6.578 1.00 0.00 C ATOM 476 CD LYS A 33 8.868 14.874 7.883 1.00 0.00 C ATOM 477 CE LYS A 33 8.887 16.154 8.705 1.00 0.00 C ATOM 478 NZ LYS A 33 9.583 15.967 10.008 1.00 0.00 N ATOM 0 H LYS A 33 6.422 13.056 5.485 1.00 0.00 H new ATOM 0 HA LYS A 33 4.730 15.089 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.401 16.129 7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.307 14.393 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.318 14.222 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.471 15.961 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.403 14.076 8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.890 14.561 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.383 16.942 8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.864 16.486 8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.574 16.862 10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.095 15.233 10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.567 15.675 9.837 1.00 0.00 H new ATOM 492 N SER A 34 7.074 16.025 3.715 1.00 0.00 N ATOM 493 CA SER A 34 7.471 17.064 2.771 1.00 0.00 C ATOM 494 C SER A 34 6.646 16.979 1.491 1.00 0.00 C ATOM 495 O SER A 34 6.222 17.998 0.944 1.00 0.00 O ATOM 496 CB SER A 34 8.961 16.939 2.441 1.00 0.00 C ATOM 497 OG SER A 34 9.346 17.888 1.461 1.00 0.00 O ATOM 0 H SER A 34 7.602 15.156 3.633 1.00 0.00 H new ATOM 0 HA SER A 34 7.288 18.033 3.236 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.551 17.086 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.174 15.932 2.081 1.00 0.00 H new ATOM 0 HG SER A 34 10.302 17.790 1.268 1.00 0.00 H new ATOM 503 N HIS A 35 6.423 15.758 1.018 1.00 0.00 N ATOM 504 CA HIS A 35 5.646 15.537 -0.197 1.00 0.00 C ATOM 505 C HIS A 35 4.368 16.369 -0.183 1.00 0.00 C ATOM 506 O HIS A 35 4.021 16.974 0.830 1.00 0.00 O ATOM 507 CB HIS A 35 5.305 14.056 -0.349 1.00 0.00 C ATOM 508 CG HIS A 35 6.324 13.282 -1.128 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.473 13.397 -2.494 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.247 12.379 -0.725 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.444 12.598 -2.897 1.00 0.00 C ATOM 512 NE2 HIS A 35 7.931 11.969 -1.843 1.00 0.00 N ATOM 0 H HIS A 35 6.769 14.905 1.457 1.00 0.00 H new ATOM 0 HA HIS A 35 6.252 15.849 -1.048 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.203 13.612 0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.337 13.963 -0.841 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.415 12.043 0.288 1.00 0.00 H new ATOM 0 HE1 HIS A 35 7.782 12.479 -3.916 1.00 0.00 H new ATOM 0 HE2 HIS A 35 8.691 11.289 -1.857 1.00 0.00 H new ATOM 521 N ALA A 36 3.671 16.394 -1.315 1.00 0.00 N ATOM 522 CA ALA A 36 2.430 17.149 -1.432 1.00 0.00 C ATOM 523 C ALA A 36 1.266 16.395 -0.798 1.00 0.00 C ATOM 524 O ALA A 36 1.455 15.340 -0.190 1.00 0.00 O ATOM 525 CB ALA A 36 2.132 17.451 -2.893 1.00 0.00 C ATOM 0 H ALA A 36 3.945 15.900 -2.164 1.00 0.00 H new ATOM 0 HA ALA A 36 2.554 18.090 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.202 18.015 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.947 18.038 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.033 16.516 -3.445 1.00 0.00 H new ATOM 531 N SER A 37 0.063 16.942 -0.941 1.00 0.00 N ATOM 532 CA SER A 37 -1.130 16.323 -0.377 1.00 0.00 C ATOM 533 C SER A 37 -1.725 15.307 -1.348 1.00 0.00 C ATOM 534 O SER A 37 -2.936 15.094 -1.377 1.00 0.00 O ATOM 535 CB SER A 37 -2.172 17.390 -0.038 1.00 0.00 C ATOM 536 OG SER A 37 -2.850 17.830 -1.201 1.00 0.00 O ATOM 0 H SER A 37 -0.111 17.813 -1.443 1.00 0.00 H new ATOM 0 HA SER A 37 -0.842 15.803 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.891 16.987 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.685 18.237 0.445 1.00 0.00 H new ATOM 0 HG SER A 37 -3.512 18.510 -0.956 1.00 0.00 H new ATOM 542 N GLY A 38 -0.861 14.682 -2.143 1.00 0.00 N ATOM 543 CA GLY A 38 -1.319 13.695 -3.105 1.00 0.00 C ATOM 544 C GLY A 38 -0.296 12.602 -3.344 1.00 0.00 C ATOM 545 O GLY A 38 -0.452 11.782 -4.249 1.00 0.00 O ATOM 0 H GLY A 38 0.147 14.841 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.247 13.248 -2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.545 14.190 -4.049 1.00 0.00 H new ATOM 549 N THR A 39 0.756 12.590 -2.531 1.00 0.00 N ATOM 550 CA THR A 39 1.809 11.590 -2.660 1.00 0.00 C ATOM 551 C THR A 39 1.426 10.293 -1.958 1.00 0.00 C ATOM 552 O THR A 39 1.081 10.293 -0.776 1.00 0.00 O ATOM 553 CB THR A 39 3.141 12.101 -2.079 1.00 0.00 C ATOM 554 OG1 THR A 39 3.615 13.215 -2.844 1.00 0.00 O ATOM 555 CG2 THR A 39 4.189 10.998 -2.078 1.00 0.00 C ATOM 0 H THR A 39 0.901 13.261 -1.777 1.00 0.00 H new ATOM 0 HA THR A 39 1.934 11.399 -3.726 1.00 0.00 H new ATOM 0 HB THR A 39 2.966 12.416 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.595 13.202 -2.868 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.121 11.382 -1.663 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.838 10.164 -1.471 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.359 10.657 -3.099 1.00 0.00 H new ATOM 563 N TYR A 40 1.487 9.188 -2.693 1.00 0.00 N ATOM 564 CA TYR A 40 1.145 7.883 -2.140 1.00 0.00 C ATOM 565 C TYR A 40 2.277 6.884 -2.359 1.00 0.00 C ATOM 566 O TYR A 40 3.182 7.119 -3.161 1.00 0.00 O ATOM 567 CB TYR A 40 -0.143 7.359 -2.778 1.00 0.00 C ATOM 568 CG TYR A 40 0.052 6.805 -4.171 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.166 7.652 -5.267 1.00 0.00 C ATOM 570 CD2 TYR A 40 0.123 5.435 -4.392 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.345 7.151 -6.541 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.302 4.925 -5.663 1.00 0.00 C ATOM 573 CZ TYR A 40 0.412 5.786 -6.735 1.00 0.00 C ATOM 574 OH TYR A 40 0.591 5.283 -8.003 1.00 0.00 O ATOM 0 H TYR A 40 1.770 9.170 -3.673 1.00 0.00 H new ATOM 0 HA TYR A 40 0.991 8.000 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.562 6.580 -2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.874 8.167 -2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.114 8.721 -5.120 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.037 4.757 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.432 7.824 -7.381 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.356 3.857 -5.817 1.00 0.00 H new ATOM 0 HH TYR A 40 1.159 4.485 -7.961 1.00 0.00 H new ATOM 584 N LEU A 41 2.220 5.768 -1.642 1.00 0.00 N ATOM 585 CA LEU A 41 3.238 4.730 -1.757 1.00 0.00 C ATOM 586 C LEU A 41 2.808 3.461 -1.030 1.00 0.00 C ATOM 587 O LEU A 41 1.949 3.499 -0.149 1.00 0.00 O ATOM 588 CB LEU A 41 4.569 5.230 -1.190 1.00 0.00 C ATOM 589 CG LEU A 41 4.747 5.093 0.322 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.394 3.761 0.665 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.577 6.247 0.867 1.00 0.00 C ATOM 0 H LEU A 41 1.479 5.558 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 41 3.364 4.495 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.377 4.688 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.682 6.281 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 41 3.763 5.126 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.513 3.682 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.762 2.947 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.372 3.698 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.694 6.134 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.559 6.245 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.073 7.190 0.654 1.00 0.00 H new ATOM 603 N ILE A 42 3.411 2.337 -1.405 1.00 0.00 N ATOM 604 CA ILE A 42 3.092 1.057 -0.785 1.00 0.00 C ATOM 605 C ILE A 42 4.341 0.397 -0.212 1.00 0.00 C ATOM 606 O ILE A 42 5.320 0.172 -0.925 1.00 0.00 O ATOM 607 CB ILE A 42 2.432 0.095 -1.791 1.00 0.00 C ATOM 608 CG1 ILE A 42 1.003 0.545 -2.098 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.439 -1.326 -1.247 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.925 1.632 -3.148 1.00 0.00 C ATOM 0 H ILE A 42 4.122 2.287 -2.134 1.00 0.00 H new ATOM 0 HA ILE A 42 2.390 1.263 0.023 1.00 0.00 H new ATOM 0 HB ILE A 42 3.006 0.112 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.424 -0.315 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.538 0.904 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.969 -1.994 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.467 -1.644 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.886 -1.359 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.118 1.902 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.476 2.508 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.360 1.270 -4.080 1.00 0.00 H new ATOM 622 N ARG A 43 4.301 0.086 1.079 1.00 0.00 N ATOM 623 CA ARG A 43 5.429 -0.549 1.748 1.00 0.00 C ATOM 624 C ARG A 43 5.039 -1.923 2.287 1.00 0.00 C ATOM 625 O ARG A 43 3.874 -2.315 2.227 1.00 0.00 O ATOM 626 CB ARG A 43 5.935 0.334 2.892 1.00 0.00 C ATOM 627 CG ARG A 43 4.928 0.510 4.016 1.00 0.00 C ATOM 628 CD ARG A 43 5.167 1.802 4.782 1.00 0.00 C ATOM 629 NE ARG A 43 4.037 2.147 5.639 1.00 0.00 N ATOM 630 CZ ARG A 43 3.817 1.590 6.825 1.00 0.00 C ATOM 631 NH1 ARG A 43 4.646 0.666 7.291 1.00 0.00 N ATOM 632 NH2 ARG A 43 2.767 1.959 7.547 1.00 0.00 N ATOM 0 H ARG A 43 3.499 0.264 1.683 1.00 0.00 H new ATOM 0 HA ARG A 43 6.227 -0.677 1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.848 -0.100 3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.198 1.314 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.919 0.511 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.993 -0.337 4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.066 1.702 5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.348 2.613 4.077 1.00 0.00 H new ATOM 0 HE ARG A 43 3.380 2.854 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.455 0.381 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.475 0.240 8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.128 2.670 7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.598 1.531 8.457 1.00 0.00 H new ATOM 646 N GLU A 44 6.022 -2.648 2.811 1.00 0.00 N ATOM 647 CA GLU A 44 5.781 -3.978 3.358 1.00 0.00 C ATOM 648 C GLU A 44 6.544 -4.175 4.665 1.00 0.00 C ATOM 649 O GLU A 44 7.773 -4.114 4.694 1.00 0.00 O ATOM 650 CB GLU A 44 6.192 -5.051 2.348 1.00 0.00 C ATOM 651 CG GLU A 44 6.361 -6.431 2.961 1.00 0.00 C ATOM 652 CD GLU A 44 7.586 -6.527 3.851 1.00 0.00 C ATOM 653 OE1 GLU A 44 8.695 -6.217 3.369 1.00 0.00 O ATOM 654 OE2 GLU A 44 7.434 -6.913 5.029 1.00 0.00 O ATOM 0 H GLU A 44 6.992 -2.337 2.868 1.00 0.00 H new ATOM 0 HA GLU A 44 4.714 -4.071 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.441 -5.102 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.129 -4.755 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.473 -6.677 3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.436 -7.172 2.165 1.00 0.00 H new ATOM 749 N ARG A 51 1.181 -7.838 6.416 1.00 0.00 N ATOM 750 CA ARG A 51 2.491 -7.819 5.775 1.00 0.00 C ATOM 751 C ARG A 51 2.612 -6.636 4.820 1.00 0.00 C ATOM 752 O ARG A 51 3.683 -6.044 4.681 1.00 0.00 O ATOM 753 CB ARG A 51 2.730 -9.127 5.018 1.00 0.00 C ATOM 754 CG ARG A 51 3.981 -9.110 4.155 1.00 0.00 C ATOM 755 CD ARG A 51 5.211 -9.526 4.948 1.00 0.00 C ATOM 756 NE ARG A 51 5.069 -10.863 5.516 1.00 0.00 N ATOM 757 CZ ARG A 51 5.261 -11.980 4.823 1.00 0.00 C ATOM 758 NH1 ARG A 51 5.600 -11.920 3.543 1.00 0.00 N ATOM 759 NH2 ARG A 51 5.113 -13.160 5.412 1.00 0.00 N ATOM 0 HA ARG A 51 3.247 -7.714 6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.805 -9.944 5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.866 -9.335 4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.849 -9.782 3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.130 -8.110 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.087 -9.499 4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.385 -8.808 5.750 1.00 0.00 H new ATOM 0 HE ARG A 51 4.808 -10.944 6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.714 -11.014 3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.747 -12.779 3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.852 -13.209 6.397 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.260 -14.018 4.880 1.00 0.00 H new ATOM 773 N PHE A 52 1.507 -6.298 4.163 1.00 0.00 N ATOM 774 CA PHE A 52 1.490 -5.185 3.219 1.00 0.00 C ATOM 775 C PHE A 52 0.787 -3.972 3.821 1.00 0.00 C ATOM 776 O PHE A 52 -0.187 -4.109 4.560 1.00 0.00 O ATOM 777 CB PHE A 52 0.792 -5.601 1.922 1.00 0.00 C ATOM 778 CG PHE A 52 1.623 -6.506 1.058 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.925 -6.165 0.725 1.00 0.00 C ATOM 780 CD2 PHE A 52 1.103 -7.697 0.577 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.692 -6.996 -0.069 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.866 -8.531 -0.217 1.00 0.00 C ATOM 783 CZ PHE A 52 3.162 -8.180 -0.542 1.00 0.00 C ATOM 0 H PHE A 52 0.613 -6.778 4.266 1.00 0.00 H new ATOM 0 HA PHE A 52 2.522 -4.912 2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.143 -6.104 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.534 -4.707 1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.344 -5.239 1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.090 -7.976 0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.706 -6.720 -0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.449 -9.457 -0.584 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.759 -8.830 -1.164 1.00 0.00 H new ATOM 793 N ALA A 53 1.290 -2.785 3.499 1.00 0.00 N ATOM 794 CA ALA A 53 0.712 -1.547 4.006 1.00 0.00 C ATOM 795 C ALA A 53 0.729 -0.456 2.941 1.00 0.00 C ATOM 796 O ALA A 53 1.454 -0.554 1.951 1.00 0.00 O ATOM 797 CB ALA A 53 1.458 -1.085 5.249 1.00 0.00 C ATOM 0 H ALA A 53 2.097 -2.655 2.889 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.327 -1.743 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.015 -0.159 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.389 -1.852 6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.506 -0.913 5.002 1.00 0.00 H new ATOM 803 N ILE A 54 -0.073 0.582 3.150 1.00 0.00 N ATOM 804 CA ILE A 54 -0.150 1.691 2.208 1.00 0.00 C ATOM 805 C ILE A 54 -0.035 3.031 2.926 1.00 0.00 C ATOM 806 O ILE A 54 -0.729 3.281 3.911 1.00 0.00 O ATOM 807 CB ILE A 54 -1.465 1.661 1.407 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.648 0.298 0.736 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.480 2.774 0.371 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.051 0.061 0.224 1.00 0.00 C ATOM 0 H ILE A 54 -0.679 0.678 3.965 1.00 0.00 H new ATOM 0 HA ILE A 54 0.687 1.578 1.519 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.296 1.821 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.948 0.214 -0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.393 -0.486 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.416 2.739 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.391 3.738 0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.643 2.643 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.108 -0.924 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.755 0.113 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.303 0.824 -0.513 1.00 0.00 H new ATOM 822 N SER A 55 0.845 3.892 2.423 1.00 0.00 N ATOM 823 CA SER A 55 1.053 5.207 3.018 1.00 0.00 C ATOM 824 C SER A 55 0.777 6.311 2.002 1.00 0.00 C ATOM 825 O SER A 55 1.293 6.286 0.885 1.00 0.00 O ATOM 826 CB SER A 55 2.483 5.331 3.547 1.00 0.00 C ATOM 827 OG SER A 55 2.548 6.241 4.631 1.00 0.00 O ATOM 0 H SER A 55 1.425 3.702 1.605 1.00 0.00 H new ATOM 0 HA SER A 55 0.356 5.318 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.842 4.353 3.867 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.143 5.666 2.747 1.00 0.00 H new ATOM 0 HG SER A 55 2.533 5.745 5.476 1.00 0.00 H new ATOM 833 N ILE A 56 -0.043 7.280 2.399 1.00 0.00 N ATOM 834 CA ILE A 56 -0.388 8.394 1.526 1.00 0.00 C ATOM 835 C ILE A 56 -0.449 9.705 2.303 1.00 0.00 C ATOM 836 O ILE A 56 -1.099 9.791 3.346 1.00 0.00 O ATOM 837 CB ILE A 56 -1.739 8.163 0.824 1.00 0.00 C ATOM 838 CG1 ILE A 56 -1.842 6.718 0.332 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.909 9.135 -0.333 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.431 5.771 1.356 1.00 0.00 C ATOM 0 H ILE A 56 -0.480 7.315 3.320 1.00 0.00 H new ATOM 0 HA ILE A 56 0.397 8.458 0.773 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.539 8.341 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.455 6.692 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.849 6.366 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.869 8.958 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.875 10.158 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.105 8.987 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.474 4.765 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.807 5.767 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.437 6.098 1.618 1.00 0.00 H new ATOM 852 N LYS A 57 0.230 10.724 1.789 1.00 0.00 N ATOM 853 CA LYS A 57 0.252 12.032 2.432 1.00 0.00 C ATOM 854 C LYS A 57 -1.018 12.816 2.114 1.00 0.00 C ATOM 855 O LYS A 57 -1.242 13.216 0.971 1.00 0.00 O ATOM 856 CB LYS A 57 1.480 12.825 1.982 1.00 0.00 C ATOM 857 CG LYS A 57 1.712 14.095 2.784 1.00 0.00 C ATOM 858 CD LYS A 57 2.191 13.785 4.191 1.00 0.00 C ATOM 859 CE LYS A 57 1.973 14.964 5.126 1.00 0.00 C ATOM 860 NZ LYS A 57 2.651 16.196 4.634 1.00 0.00 N ATOM 0 H LYS A 57 0.773 10.669 0.927 1.00 0.00 H new ATOM 0 HA LYS A 57 0.303 11.878 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.362 12.189 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.368 13.085 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.449 14.717 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.787 14.670 2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.660 12.913 4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.250 13.529 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.904 15.154 5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.349 14.715 6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.957 16.771 5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.480 15.932 4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.990 16.746 4.049 1.00 0.00 H new ATOM 874 N PHE A 58 -1.845 13.034 3.131 1.00 0.00 N ATOM 875 CA PHE A 58 -3.091 13.770 2.958 1.00 0.00 C ATOM 876 C PHE A 58 -3.408 14.600 4.199 1.00 0.00 C ATOM 877 O PHE A 58 -2.960 14.286 5.301 1.00 0.00 O ATOM 878 CB PHE A 58 -4.243 12.805 2.669 1.00 0.00 C ATOM 879 CG PHE A 58 -5.585 13.476 2.606 1.00 0.00 C ATOM 880 CD1 PHE A 58 -5.987 14.145 1.461 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.446 13.437 3.691 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.222 14.763 1.399 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.682 14.053 3.635 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.070 14.718 2.488 1.00 0.00 C ATOM 0 H PHE A 58 -1.674 12.711 4.083 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.971 14.445 2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.054 12.299 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.266 12.037 3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.327 14.184 0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.148 12.919 4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.523 15.280 0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.344 14.014 4.487 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.035 15.202 2.443 1.00 0.00 H new ATOM 894 N ASN A 59 -4.184 15.664 4.010 1.00 0.00 N ATOM 895 CA ASN A 59 -4.561 16.540 5.113 1.00 0.00 C ATOM 896 C ASN A 59 -3.329 17.002 5.887 1.00 0.00 C ATOM 897 O ASN A 59 -3.358 17.109 7.112 1.00 0.00 O ATOM 898 CB ASN A 59 -5.530 15.822 6.055 1.00 0.00 C ATOM 899 CG ASN A 59 -6.977 15.995 5.637 1.00 0.00 C ATOM 900 OD1 ASN A 59 -7.271 16.618 4.617 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.890 15.441 6.428 1.00 0.00 N ATOM 0 H ASN A 59 -4.563 15.939 3.104 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.055 17.417 4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.287 14.760 6.081 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.399 16.204 7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.881 15.523 6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.600 14.933 7.264 1.00 0.00 H new ATOM 908 N ASP A 60 -2.250 17.273 5.162 1.00 0.00 N ATOM 909 CA ASP A 60 -1.008 17.725 5.779 1.00 0.00 C ATOM 910 C ASP A 60 -0.526 16.724 6.825 1.00 0.00 C ATOM 911 O ASP A 60 0.171 17.089 7.770 1.00 0.00 O ATOM 912 CB ASP A 60 -1.204 19.099 6.421 1.00 0.00 C ATOM 913 CG ASP A 60 0.111 19.758 6.787 1.00 0.00 C ATOM 914 OD1 ASP A 60 1.063 19.672 5.983 1.00 0.00 O ATOM 915 OD2 ASP A 60 0.188 20.363 7.876 1.00 0.00 O ATOM 0 H ASP A 60 -2.210 17.188 4.146 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.250 17.802 5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.751 19.744 5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.817 18.995 7.316 1.00 0.00 H new ATOM 920 N GLU A 61 -0.904 15.462 6.648 1.00 0.00 N ATOM 921 CA GLU A 61 -0.511 14.410 7.578 1.00 0.00 C ATOM 922 C GLU A 61 -0.426 13.061 6.869 1.00 0.00 C ATOM 923 O GLU A 61 -1.380 12.624 6.225 1.00 0.00 O ATOM 924 CB GLU A 61 -1.506 14.327 8.738 1.00 0.00 C ATOM 925 CG GLU A 61 -1.136 15.203 9.922 1.00 0.00 C ATOM 926 CD GLU A 61 -0.268 14.480 10.934 1.00 0.00 C ATOM 927 OE1 GLU A 61 0.428 13.520 10.540 1.00 0.00 O ATOM 928 OE2 GLU A 61 -0.286 14.873 12.119 1.00 0.00 O ATOM 0 H GLU A 61 -1.481 15.143 5.870 1.00 0.00 H new ATOM 0 HA GLU A 61 0.475 14.657 7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.494 14.615 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.577 13.292 9.071 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.610 16.088 9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.046 15.550 10.411 1.00 0.00 H new ATOM 935 N VAL A 62 0.725 12.407 6.992 1.00 0.00 N ATOM 936 CA VAL A 62 0.936 11.107 6.364 1.00 0.00 C ATOM 937 C VAL A 62 0.127 10.021 7.063 1.00 0.00 C ATOM 938 O VAL A 62 0.355 9.718 8.235 1.00 0.00 O ATOM 939 CB VAL A 62 2.425 10.713 6.380 1.00 0.00 C ATOM 940 CG1 VAL A 62 3.077 11.138 7.686 1.00 0.00 C ATOM 941 CG2 VAL A 62 2.581 9.216 6.160 1.00 0.00 C ATOM 0 H VAL A 62 1.525 12.755 7.520 1.00 0.00 H new ATOM 0 HA VAL A 62 0.601 11.196 5.330 1.00 0.00 H new ATOM 0 HB VAL A 62 2.929 11.233 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.128 10.851 7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.997 12.219 7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.574 10.649 8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.639 8.954 6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.063 8.676 6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.153 8.943 5.195 1.00 0.00 H new ATOM 951 N LYS A 63 -0.820 9.438 6.338 1.00 0.00 N ATOM 952 CA LYS A 63 -1.665 8.383 6.886 1.00 0.00 C ATOM 953 C LYS A 63 -1.064 7.007 6.611 1.00 0.00 C ATOM 954 O LYS A 63 -0.493 6.770 5.547 1.00 0.00 O ATOM 955 CB LYS A 63 -3.071 8.466 6.290 1.00 0.00 C ATOM 956 CG LYS A 63 -3.734 9.819 6.479 1.00 0.00 C ATOM 957 CD LYS A 63 -4.006 10.107 7.946 1.00 0.00 C ATOM 958 CE LYS A 63 -5.231 10.991 8.122 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.526 11.251 9.558 1.00 0.00 N ATOM 0 H LYS A 63 -1.023 9.678 5.368 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.726 8.524 7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.018 8.243 5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.696 7.698 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.094 10.599 6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.671 9.847 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.153 9.169 8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.138 10.594 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.072 11.938 7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.093 10.514 7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.368 11.857 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.703 10.349 10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.714 11.729 9.998 1.00 0.00 H new ATOM 973 N HIS A 64 -1.200 6.103 7.576 1.00 0.00 N ATOM 974 CA HIS A 64 -0.673 4.751 7.437 1.00 0.00 C ATOM 975 C HIS A 64 -1.804 3.729 7.387 1.00 0.00 C ATOM 976 O HIS A 64 -2.681 3.717 8.253 1.00 0.00 O ATOM 977 CB HIS A 64 0.273 4.428 8.595 1.00 0.00 C ATOM 978 CG HIS A 64 1.495 5.293 8.630 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.540 5.156 7.741 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.833 6.314 9.453 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.470 6.054 8.018 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.065 6.769 9.052 1.00 0.00 N ATOM 0 H HIS A 64 -1.671 6.283 8.463 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.119 4.698 6.500 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.267 4.538 9.536 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.579 3.384 8.523 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.243 6.699 10.272 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.403 6.181 7.489 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.583 7.535 9.483 1.00 0.00 H new ATOM 991 N ILE A 65 -1.778 2.874 6.371 1.00 0.00 N ATOM 992 CA ILE A 65 -2.803 1.849 6.210 1.00 0.00 C ATOM 993 C ILE A 65 -2.203 0.451 6.321 1.00 0.00 C ATOM 994 O ILE A 65 -1.022 0.246 6.037 1.00 0.00 O ATOM 995 CB ILE A 65 -3.523 1.981 4.856 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.088 3.393 4.689 1.00 0.00 C ATOM 997 CG2 ILE A 65 -4.633 0.945 4.743 1.00 0.00 C ATOM 998 CD1 ILE A 65 -4.451 3.733 3.261 1.00 0.00 C ATOM 0 H ILE A 65 -1.059 2.870 5.647 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.526 1.996 7.012 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.801 1.802 4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.974 3.498 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.355 4.114 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.133 1.051 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.207 -0.055 4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.355 1.096 5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.845 4.748 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.563 3.661 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.207 3.035 2.902 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.024 -0.508 6.732 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.577 -1.888 6.877 1.00 0.00 C ATOM 1012 C LYS A 66 -3.380 -2.818 5.973 1.00 0.00 C ATOM 1013 O LYS A 66 -4.599 -2.693 5.862 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.709 -2.339 8.334 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.130 -2.696 8.734 1.00 0.00 C ATOM 1016 CD LYS A 66 -4.201 -3.168 10.177 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.640 -3.297 10.651 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.735 -3.313 12.137 1.00 0.00 N ATOM 0 H LYS A 66 -4.004 -0.355 6.971 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.529 -1.936 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.066 -3.204 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.346 -1.544 8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.775 -1.827 8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.509 -3.478 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.698 -4.130 10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.667 -2.466 10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.227 -2.467 10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.074 -4.213 10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.732 -3.402 12.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.195 -4.120 12.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.344 -2.428 12.519 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.688 -3.753 5.328 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.336 -4.705 4.435 1.00 0.00 C ATOM 1034 C VAL A 67 -3.538 -6.051 5.121 1.00 0.00 C ATOM 1035 O VAL A 67 -2.771 -6.431 6.005 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.519 -4.914 3.147 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.268 -5.816 2.178 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.193 -3.576 2.500 1.00 0.00 C ATOM 0 H VAL A 67 -1.678 -3.871 5.408 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.307 -4.284 4.174 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.581 -5.404 3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.674 -5.952 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.444 -6.785 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.223 -5.359 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.615 -3.743 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.119 -3.057 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.611 -2.969 3.193 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.576 -6.772 4.706 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.879 -8.077 5.279 1.00 0.00 C ATOM 1050 C VAL A 68 -5.157 -9.105 4.188 1.00 0.00 C ATOM 1051 O VAL A 68 -5.949 -8.859 3.279 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.092 -8.008 6.226 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.492 -9.403 6.683 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -5.786 -7.114 7.418 1.00 0.00 C ATOM 0 H VAL A 68 -5.221 -6.473 3.974 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.001 -8.384 5.848 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.932 -7.575 5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.350 -9.335 7.351 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.755 -10.009 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.658 -9.866 7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.654 -7.076 8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.933 -7.516 7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.552 -6.108 7.068 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.501 -10.257 4.285 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.678 -11.322 3.305 1.00 0.00 C ATOM 1066 C GLU A 69 -5.405 -12.513 3.922 1.00 0.00 C ATOM 1067 O GLU A 69 -4.816 -13.300 4.662 1.00 0.00 O ATOM 1068 CB GLU A 69 -3.323 -11.769 2.754 1.00 0.00 C ATOM 1069 CG GLU A 69 -3.422 -12.550 1.455 1.00 0.00 C ATOM 1070 CD GLU A 69 -3.558 -14.043 1.680 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -2.518 -14.714 1.848 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -4.704 -14.540 1.689 1.00 0.00 O ATOM 0 H GLU A 69 -3.842 -10.477 5.032 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.284 -10.931 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.698 -10.891 2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.822 -12.385 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.280 -12.193 0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.535 -12.357 0.851 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.691 -12.638 3.611 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.502 -13.732 4.133 1.00 0.00 C ATOM 1081 C LYS A 70 -8.351 -14.354 3.029 1.00 0.00 C ATOM 1082 O LYS A 70 -8.742 -13.677 2.077 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.404 -13.232 5.265 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.727 -14.296 6.299 1.00 0.00 C ATOM 1085 CD LYS A 70 -10.082 -14.054 6.942 1.00 0.00 C ATOM 1086 CE LYS A 70 -10.116 -14.560 8.377 1.00 0.00 C ATOM 1087 NZ LYS A 70 -11.486 -14.975 8.786 1.00 0.00 N ATOM 0 H LYS A 70 -7.194 -11.995 3.000 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.829 -14.495 4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.919 -12.391 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.334 -12.857 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.717 -15.278 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.954 -14.304 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.309 -12.988 6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.857 -14.554 6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.435 -15.404 8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.758 -13.778 9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.467 -15.313 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.131 -14.163 8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.818 -15.739 8.163 1.00 0.00 H new ATOM 1101 N ASP A 71 -8.636 -15.645 3.163 1.00 0.00 N ATOM 1102 CA ASP A 71 -9.441 -16.357 2.178 1.00 0.00 C ATOM 1103 C ASP A 71 -8.869 -16.177 0.776 1.00 0.00 C ATOM 1104 O ASP A 71 -9.610 -15.986 -0.187 1.00 0.00 O ATOM 1105 CB ASP A 71 -10.889 -15.864 2.219 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.873 -16.920 1.760 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -11.889 -18.018 2.356 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -12.630 -16.650 0.803 1.00 0.00 O ATOM 0 H ASP A 71 -8.321 -16.220 3.945 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.419 -17.418 2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.137 -15.558 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.987 -14.981 1.587 1.00 0.00 H new ATOM 1113 N ASN A 72 -7.546 -16.239 0.669 1.00 0.00 N ATOM 1114 CA ASN A 72 -6.874 -16.082 -0.615 1.00 0.00 C ATOM 1115 C ASN A 72 -7.229 -14.743 -1.254 1.00 0.00 C ATOM 1116 O ASN A 72 -7.171 -14.592 -2.475 1.00 0.00 O ATOM 1117 CB ASN A 72 -7.254 -17.227 -1.556 1.00 0.00 C ATOM 1118 CG ASN A 72 -6.167 -17.527 -2.571 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -5.447 -16.630 -3.009 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -6.044 -18.795 -2.947 1.00 0.00 N ATOM 0 H ASN A 72 -6.918 -16.397 1.457 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.798 -16.107 -0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.457 -18.123 -0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.176 -16.973 -2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.330 -19.059 -3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.664 -19.505 -2.557 1.00 0.00 H new ATOM 1127 N TRP A 73 -7.596 -13.776 -0.422 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.961 -12.449 -0.906 1.00 0.00 C ATOM 1129 C TRP A 73 -7.191 -11.366 -0.157 1.00 0.00 C ATOM 1130 O TRP A 73 -6.577 -11.631 0.877 1.00 0.00 O ATOM 1131 CB TRP A 73 -9.465 -12.222 -0.751 1.00 0.00 C ATOM 1132 CG TRP A 73 -10.296 -13.263 -1.439 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -11.333 -13.971 -0.901 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -10.159 -13.714 -2.791 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -11.849 -14.834 -1.837 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -11.147 -14.696 -3.005 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -9.299 -13.383 -3.842 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -11.295 -15.348 -4.226 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -9.448 -14.031 -5.052 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -10.439 -15.005 -5.237 1.00 0.00 C ATOM 0 H TRP A 73 -7.649 -13.885 0.591 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.700 -12.391 -1.963 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.716 -12.209 0.310 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.720 -11.241 -1.151 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.694 -13.867 0.112 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.629 -15.474 -1.687 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.532 -12.634 -3.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.058 -16.098 -4.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.789 -13.783 -5.871 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.529 -15.494 -6.196 1.00 0.00 H new ATOM 1151 N ILE A 74 -7.230 -10.148 -0.684 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.537 -9.025 -0.063 1.00 0.00 C ATOM 1153 C ILE A 74 -7.450 -7.809 0.048 1.00 0.00 C ATOM 1154 O ILE A 74 -8.091 -7.409 -0.924 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.275 -8.635 -0.855 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.084 -9.488 -0.414 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -4.970 -7.156 -0.671 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.087 -9.753 -1.520 1.00 0.00 C ATOM 0 H ILE A 74 -7.734 -9.913 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.244 -9.348 0.936 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.458 -8.820 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.575 -8.988 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.451 -10.440 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.075 -6.896 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.812 -6.564 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.804 -6.947 0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.270 -10.363 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.581 -10.281 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.691 -8.806 -1.887 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.503 -7.223 1.240 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.336 -6.049 1.478 1.00 0.00 C ATOM 1172 C HIS A 75 -7.838 -5.266 2.689 1.00 0.00 C ATOM 1173 O HIS A 75 -6.883 -5.672 3.353 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.792 -6.466 1.689 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.944 -7.752 2.441 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -10.014 -7.814 3.817 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -10.041 -9.028 2.003 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -10.146 -9.074 4.192 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -10.165 -9.831 3.110 1.00 0.00 N ATOM 0 H HIS A 75 -6.980 -7.541 2.056 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.273 -5.405 0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.313 -5.675 2.229 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.278 -6.563 0.718 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.024 -9.355 0.974 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.225 -9.425 5.210 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.257 -10.847 3.098 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.489 -4.143 2.971 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.112 -3.304 4.102 1.00 0.00 C ATOM 1190 C ILE A 76 -9.329 -2.941 4.946 1.00 0.00 C ATOM 1191 O ILE A 76 -10.392 -2.615 4.417 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.420 -2.010 3.636 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.293 -1.275 2.618 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.054 -2.324 3.041 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -7.903 0.173 2.418 1.00 0.00 C ATOM 0 H ILE A 76 -9.281 -3.793 2.432 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.413 -3.883 4.706 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.279 -1.361 4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.235 -1.794 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.332 -1.321 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.577 -1.399 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.432 -2.808 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.174 -2.990 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.565 0.630 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.988 0.707 3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.874 0.227 2.062 1.00 0.00 H new ATOM 1207 N THR A 77 -9.165 -2.995 6.264 1.00 0.00 N ATOM 1208 CA THR A 77 -10.249 -2.672 7.183 1.00 0.00 C ATOM 1209 C THR A 77 -11.565 -3.284 6.718 1.00 0.00 C ATOM 1210 O THR A 77 -12.641 -2.789 7.052 1.00 0.00 O ATOM 1211 CB THR A 77 -10.426 -1.149 7.328 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.251 -0.857 8.461 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.051 -0.555 6.074 1.00 0.00 C ATOM 0 H THR A 77 -8.291 -3.260 6.719 1.00 0.00 H new ATOM 0 HA THR A 77 -9.979 -3.093 8.152 1.00 0.00 H new ATOM 0 HB THR A 77 -9.442 -0.704 7.471 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.038 -1.441 8.452 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.166 0.522 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.407 -0.753 5.217 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.028 -1.007 5.905 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.472 -4.363 5.947 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.657 -5.041 5.436 1.00 0.00 C ATOM 1223 C GLU A 78 -13.565 -4.065 4.692 1.00 0.00 C ATOM 1224 O GLU A 78 -14.779 -4.055 4.892 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.428 -5.700 6.582 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.743 -6.932 7.149 1.00 0.00 C ATOM 1227 CD GLU A 78 -13.321 -7.359 8.483 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -13.296 -6.542 9.428 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -13.796 -8.509 8.584 1.00 0.00 O ATOM 0 H GLU A 78 -10.588 -4.786 5.663 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.331 -5.811 4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.566 -4.972 7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.421 -5.978 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.834 -7.753 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.679 -6.729 7.267 1.00 0.00 H new ATOM 1236 N ALA A 79 -12.965 -3.246 3.834 1.00 0.00 N ATOM 1237 CA ALA A 79 -13.718 -2.268 3.059 1.00 0.00 C ATOM 1238 C ALA A 79 -14.134 -2.840 1.708 1.00 0.00 C ATOM 1239 O ALA A 79 -15.295 -2.744 1.312 1.00 0.00 O ATOM 1240 CB ALA A 79 -12.897 -1.002 2.868 1.00 0.00 C ATOM 0 H ALA A 79 -11.960 -3.241 3.658 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.623 -2.021 3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.471 -0.280 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.655 -0.575 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.975 -1.243 2.338 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.177 -3.436 1.003 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.443 -4.024 -0.303 1.00 0.00 C ATOM 1248 C LYS A 80 -12.534 -5.223 -0.555 1.00 0.00 C ATOM 1249 O LYS A 80 -11.309 -5.105 -0.518 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.245 -2.981 -1.405 1.00 0.00 C ATOM 1251 CG LYS A 80 -14.042 -3.269 -2.666 1.00 0.00 C ATOM 1252 CD LYS A 80 -13.513 -4.495 -3.392 1.00 0.00 C ATOM 1253 CE LYS A 80 -14.115 -4.620 -4.783 1.00 0.00 C ATOM 1254 NZ LYS A 80 -15.373 -5.418 -4.773 1.00 0.00 N ATOM 0 H LYS A 80 -12.210 -3.524 1.316 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.478 -4.365 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.529 -2.001 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.186 -2.929 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.090 -3.422 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.999 -2.405 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.427 -4.434 -3.468 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.742 -5.390 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.319 -3.626 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.392 -5.089 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.752 -5.480 -5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.174 -6.375 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.072 -4.957 -4.156 1.00 0.00 H new ATOM 1268 N LYS A 81 -13.141 -6.376 -0.813 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.387 -7.597 -1.074 1.00 0.00 C ATOM 1270 C LYS A 81 -11.858 -7.615 -2.504 1.00 0.00 C ATOM 1271 O LYS A 81 -12.628 -7.545 -3.463 1.00 0.00 O ATOM 1272 CB LYS A 81 -13.267 -8.825 -0.830 1.00 0.00 C ATOM 1273 CG LYS A 81 -14.644 -8.724 -1.462 1.00 0.00 C ATOM 1274 CD LYS A 81 -15.253 -10.096 -1.695 1.00 0.00 C ATOM 1275 CE LYS A 81 -16.038 -10.571 -0.482 1.00 0.00 C ATOM 1276 NZ LYS A 81 -16.482 -11.985 -0.627 1.00 0.00 N ATOM 0 H LYS A 81 -14.154 -6.491 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.538 -7.623 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.761 -9.707 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.380 -8.973 0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.299 -8.139 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.572 -8.191 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.910 -10.061 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.463 -10.812 -1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.420 -10.474 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.908 -9.930 -0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.013 -12.271 0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.092 -12.073 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.651 -12.600 -0.738 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.540 -7.708 -2.640 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.908 -7.735 -3.955 1.00 0.00 C ATOM 1292 C PHE A 82 -9.185 -9.060 -4.184 1.00 0.00 C ATOM 1293 O PHE A 82 -9.040 -9.867 -3.265 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.922 -6.574 -4.093 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.586 -5.228 -4.165 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.472 -4.933 -5.189 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.326 -4.260 -3.208 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.085 -3.695 -5.257 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -9.937 -3.022 -3.272 1.00 0.00 C ATOM 1300 CZ PHE A 82 -10.818 -2.740 -4.297 1.00 0.00 C ATOM 0 H PHE A 82 -9.889 -7.766 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.689 -7.632 -4.708 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.237 -6.587 -3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.322 -6.722 -4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.686 -5.677 -5.942 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.638 -4.475 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.772 -3.476 -6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.725 -2.276 -2.521 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.297 -1.774 -4.347 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.734 -9.276 -5.414 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.027 -10.502 -5.765 1.00 0.00 C ATOM 1312 C ASP A 83 -6.553 -10.407 -5.382 1.00 0.00 C ATOM 1313 O ASP A 83 -5.922 -11.411 -5.051 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.159 -10.781 -7.263 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.038 -10.158 -8.071 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -5.895 -10.652 -7.977 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -7.304 -9.178 -8.795 1.00 0.00 O ATOM 0 H ASP A 83 -8.845 -8.618 -6.185 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.477 -11.324 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.167 -11.858 -7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.115 -10.397 -7.618 1.00 0.00 H new ATOM 1322 N SER A 84 -6.011 -9.194 -5.429 1.00 0.00 N ATOM 1323 CA SER A 84 -4.611 -8.969 -5.091 1.00 0.00 C ATOM 1324 C SER A 84 -4.398 -7.550 -4.573 1.00 0.00 C ATOM 1325 O SER A 84 -5.321 -6.735 -4.567 1.00 0.00 O ATOM 1326 CB SER A 84 -3.723 -9.217 -6.313 1.00 0.00 C ATOM 1327 OG SER A 84 -3.706 -8.088 -7.168 1.00 0.00 O ATOM 0 H SER A 84 -6.520 -8.352 -5.698 1.00 0.00 H new ATOM 0 HA SER A 84 -4.336 -9.670 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.708 -9.447 -5.988 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.087 -10.086 -6.861 1.00 0.00 H new ATOM 0 HG SER A 84 -3.570 -8.380 -8.093 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.176 -7.262 -4.139 1.00 0.00 N ATOM 1334 CA LEU A 85 -2.839 -5.942 -3.619 1.00 0.00 C ATOM 1335 C LEU A 85 -2.810 -4.907 -4.739 1.00 0.00 C ATOM 1336 O LEU A 85 -2.995 -3.713 -4.501 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.485 -5.981 -2.910 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.819 -4.628 -2.658 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.421 -3.956 -1.434 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.685 -4.796 -2.493 1.00 0.00 C ATOM 0 H LEU A 85 -2.402 -7.926 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.608 -5.654 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.614 -6.484 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.805 -6.593 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.000 -3.989 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.934 -2.994 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.488 -3.800 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.273 -4.591 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.142 -3.823 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.887 -5.453 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.104 -5.233 -3.399 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.576 -5.372 -5.962 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.525 -4.487 -7.121 1.00 0.00 C ATOM 1354 C LEU A 86 -3.890 -3.863 -7.391 1.00 0.00 C ATOM 1355 O LEU A 86 -3.999 -2.659 -7.617 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.049 -5.256 -8.353 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.123 -4.505 -9.683 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.062 -3.416 -9.740 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.963 -5.468 -10.850 1.00 0.00 C ATOM 0 H LEU A 86 -2.419 -6.357 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.818 -3.686 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.016 -5.562 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.642 -6.167 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.103 -4.035 -9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.129 -2.892 -10.693 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.222 -2.709 -8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.074 -3.865 -9.642 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.018 -4.915 -11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.997 -5.968 -10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.759 -6.212 -10.820 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.929 -4.692 -7.363 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.288 -4.221 -7.605 1.00 0.00 C ATOM 1373 C GLU A 87 -6.708 -3.207 -6.545 1.00 0.00 C ATOM 1374 O GLU A 87 -7.355 -2.204 -6.850 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.265 -5.398 -7.616 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.485 -5.995 -8.996 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.581 -5.287 -9.769 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.765 -5.623 -9.561 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -8.254 -4.397 -10.583 1.00 0.00 O ATOM 0 H GLU A 87 -4.856 -5.692 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.308 -3.733 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.892 -6.175 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.223 -5.067 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.555 -5.944 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.740 -7.050 -8.895 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.337 -3.475 -5.298 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.675 -2.587 -4.191 1.00 0.00 C ATOM 1388 C LEU A 88 -6.080 -1.199 -4.405 1.00 0.00 C ATOM 1389 O LEU A 88 -6.688 -0.189 -4.050 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.172 -3.172 -2.870 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.377 -2.301 -1.630 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.343 -3.151 -0.370 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.321 -1.207 -1.566 1.00 0.00 C ATOM 0 H LEU A 88 -5.802 -4.300 -5.028 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.760 -2.494 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.671 -4.127 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.107 -3.382 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.357 -1.829 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.491 -2.514 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.136 -3.897 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.378 -3.652 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.482 -0.597 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.330 -1.660 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.393 -0.580 -2.455 1.00 0.00 H new ATOM 1405 N VAL A 89 -4.886 -1.156 -4.990 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.210 0.108 -5.254 1.00 0.00 C ATOM 1407 C VAL A 89 -4.829 0.823 -6.449 1.00 0.00 C ATOM 1408 O VAL A 89 -5.144 2.011 -6.380 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.707 -0.105 -5.520 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.065 1.183 -6.011 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.013 -0.612 -4.266 1.00 0.00 C ATOM 0 H VAL A 89 -4.368 -1.982 -5.290 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.331 0.724 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.595 -0.858 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.004 1.014 -6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.547 1.500 -6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.184 1.960 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.952 -0.757 -4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.131 0.117 -3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.457 -1.560 -3.962 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.003 0.091 -7.546 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.586 0.656 -8.757 1.00 0.00 C ATOM 1423 C GLU A 90 -7.015 1.127 -8.505 1.00 0.00 C ATOM 1424 O GLU A 90 -7.465 2.117 -9.082 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.569 -0.375 -9.887 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.176 -0.682 -10.410 1.00 0.00 C ATOM 1427 CD GLU A 90 -3.705 0.326 -11.441 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -4.506 0.689 -12.326 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -2.533 0.751 -11.360 1.00 0.00 O ATOM 0 H GLU A 90 -4.748 -0.894 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.985 1.517 -9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.026 -1.298 -9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.185 -0.010 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.474 -0.698 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.169 -1.678 -10.852 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.724 0.412 -7.639 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.103 0.753 -7.312 1.00 0.00 C ATOM 1438 C TYR A 91 -9.201 2.185 -6.794 1.00 0.00 C ATOM 1439 O TYR A 91 -9.951 3.001 -7.331 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.658 -0.218 -6.268 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.094 0.059 -5.886 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.145 -0.491 -6.611 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.401 0.872 -4.802 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.458 -0.240 -6.267 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -12.712 1.126 -4.450 1.00 0.00 C ATOM 1446 CZ TYR A 91 -13.737 0.568 -5.185 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.045 0.821 -4.838 1.00 0.00 O ATOM 0 H TYR A 91 -7.366 -0.408 -7.150 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.696 0.673 -8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.583 -1.235 -6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.037 -0.170 -5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.930 -1.126 -7.458 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.601 1.313 -4.225 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.262 -0.674 -6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.934 1.759 -3.603 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.068 1.407 -4.053 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.438 2.482 -5.749 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.439 3.814 -5.157 1.00 0.00 C ATOM 1459 C TYR A 92 -7.783 4.827 -6.091 1.00 0.00 C ATOM 1460 O TYR A 92 -8.183 5.990 -6.141 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.710 3.799 -3.812 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.346 2.884 -2.789 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.725 2.841 -2.630 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.567 2.063 -1.983 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.311 2.009 -1.696 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -8.144 1.226 -1.048 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.516 1.203 -0.908 1.00 0.00 C ATOM 1468 OH TYR A 92 -10.095 0.371 0.022 1.00 0.00 O ATOM 0 H TYR A 92 -7.811 1.819 -5.294 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.476 4.111 -4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.677 3.490 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.681 4.813 -3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.350 3.469 -3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.492 2.080 -2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.385 1.990 -1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.524 0.593 -0.430 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.736 -0.535 -0.081 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.775 4.374 -6.830 1.00 0.00 N ATOM 1479 CA GLN A 93 -6.064 5.240 -7.763 1.00 0.00 C ATOM 1480 C GLN A 93 -7.037 6.129 -8.532 1.00 0.00 C ATOM 1481 O GLN A 93 -6.672 7.211 -8.992 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.239 4.402 -8.741 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.840 4.084 -8.238 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.077 3.168 -9.176 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.566 2.812 -10.248 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.872 2.780 -8.775 1.00 0.00 N ATOM 0 H GLN A 93 -6.433 3.414 -6.801 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.394 5.879 -7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.765 3.469 -8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.163 4.935 -9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.284 5.013 -8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.909 3.617 -7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.506 3.099 -7.878 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.313 2.163 -9.364 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.274 5.664 -8.665 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.300 6.416 -9.379 1.00 0.00 C ATOM 1497 C CYS A 94 -10.461 6.766 -8.454 1.00 0.00 C ATOM 1498 O CYS A 94 -11.108 7.802 -8.617 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.811 5.612 -10.576 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.776 5.748 -12.052 1.00 0.00 S ATOM 0 H CYS A 94 -8.591 4.771 -8.288 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.852 7.343 -9.737 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -9.883 4.562 -10.291 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.819 5.946 -10.820 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.288 5.032 -13.009 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.720 5.896 -7.483 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.804 6.114 -6.532 1.00 0.00 C ATOM 1508 C HIS A 95 -11.266 6.652 -5.209 1.00 0.00 C ATOM 1509 O HIS A 95 -10.354 6.074 -4.618 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.569 4.811 -6.293 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.552 3.883 -7.467 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.413 2.516 -7.343 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.660 4.130 -8.793 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.434 1.964 -8.543 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.583 2.922 -9.441 1.00 0.00 N ATOM 0 H HIS A 95 -10.195 5.034 -7.334 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.483 6.854 -6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.140 4.301 -5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.603 5.047 -6.042 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.310 2.011 -6.463 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.784 5.098 -9.256 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.345 0.909 -8.754 1.00 0.00 H new ATOM 1524 N SER A 96 -11.838 7.761 -4.751 1.00 0.00 N ATOM 1525 CA SER A 96 -11.412 8.380 -3.501 1.00 0.00 C ATOM 1526 C SER A 96 -11.397 7.359 -2.368 1.00 0.00 C ATOM 1527 O SER A 96 -12.219 6.442 -2.331 1.00 0.00 O ATOM 1528 CB SER A 96 -12.339 9.543 -3.142 1.00 0.00 C ATOM 1529 OG SER A 96 -11.647 10.539 -2.410 1.00 0.00 O ATOM 0 H SER A 96 -12.597 8.249 -5.226 1.00 0.00 H new ATOM 0 HA SER A 96 -10.400 8.760 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.752 9.977 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.180 9.174 -2.555 1.00 0.00 H new ATOM 0 HG SER A 96 -12.183 11.359 -2.386 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.457 7.525 -1.443 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.334 6.619 -0.307 1.00 0.00 C ATOM 1537 C LEU A 97 -11.354 6.958 0.774 1.00 0.00 C ATOM 1538 O LEU A 97 -11.276 6.459 1.897 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.919 6.687 0.273 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.902 5.711 -0.322 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.502 6.301 -0.268 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.951 4.378 0.410 1.00 0.00 C ATOM 0 H LEU A 97 -9.770 8.278 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.529 5.606 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.541 7.701 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.979 6.508 1.347 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.160 5.538 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.792 5.593 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.476 7.230 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.232 6.504 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.221 3.696 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.718 4.533 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.949 3.949 0.318 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.316 7.807 0.427 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.356 8.211 1.366 1.00 0.00 C ATOM 1556 C LYS A 98 -14.252 7.030 1.726 1.00 0.00 C ATOM 1557 O LYS A 98 -14.698 6.904 2.866 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.199 9.340 0.769 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.320 8.852 -0.132 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.999 10.005 -0.853 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.831 9.514 -2.028 1.00 0.00 C ATOM 1562 NZ LYS A 98 -17.949 8.635 -1.588 1.00 0.00 N ATOM 0 H LYS A 98 -12.397 8.229 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.872 8.568 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.627 9.930 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.550 10.005 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.920 8.149 -0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.056 8.310 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.637 10.547 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.245 10.708 -1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.234 10.370 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.192 8.968 -2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.589 8.459 -2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.566 7.731 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.475 9.100 -0.821 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.507 6.167 0.748 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.349 4.995 0.965 1.00 0.00 C ATOM 1578 C GLU A 99 -14.881 4.208 2.186 1.00 0.00 C ATOM 1579 O GLU A 99 -15.683 3.829 3.038 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.337 4.096 -0.273 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.894 4.765 -1.517 1.00 0.00 C ATOM 1582 CD GLU A 99 -17.367 5.105 -1.387 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -17.710 5.925 -0.509 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -18.175 4.551 -2.161 1.00 0.00 O ATOM 0 H GLU A 99 -14.144 6.256 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.368 5.338 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.313 3.777 -0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.917 3.197 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.331 5.676 -1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.751 4.107 -2.374 1.00 0.00 H new ATOM 1591 N SER A 100 -13.576 3.965 2.260 1.00 0.00 N ATOM 1592 CA SER A 100 -13.001 3.219 3.373 1.00 0.00 C ATOM 1593 C SER A 100 -12.864 4.104 4.608 1.00 0.00 C ATOM 1594 O SER A 100 -13.183 3.688 5.723 1.00 0.00 O ATOM 1595 CB SER A 100 -11.634 2.652 2.983 1.00 0.00 C ATOM 1596 OG SER A 100 -10.775 3.676 2.512 1.00 0.00 O ATOM 0 H SER A 100 -12.898 4.274 1.563 1.00 0.00 H new ATOM 0 HA SER A 100 -13.673 2.395 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.181 2.160 3.844 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.758 1.893 2.211 1.00 0.00 H new ATOM 0 HG SER A 100 -10.237 4.020 3.256 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.387 5.326 4.402 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.206 6.272 5.497 1.00 0.00 C ATOM 1604 C PHE A 101 -12.854 7.614 5.170 1.00 0.00 C ATOM 1605 O PHE A 101 -12.324 8.396 4.378 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.717 6.468 5.789 1.00 0.00 C ATOM 1607 CG PHE A 101 -9.980 5.183 6.038 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -10.290 4.393 7.133 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -8.979 4.765 5.177 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -9.613 3.211 7.364 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.299 3.583 5.403 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.617 2.805 6.497 1.00 0.00 C ATOM 0 H PHE A 101 -12.118 5.685 3.486 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.691 5.861 6.382 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.255 6.985 4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.608 7.115 6.660 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.069 4.704 7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.727 5.370 4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.862 2.605 8.222 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.520 3.269 4.724 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.088 1.880 6.675 1.00 0.00 H new ATOM 1622 N LYS A 102 -14.003 7.876 5.784 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.724 9.123 5.559 1.00 0.00 C ATOM 1624 C LYS A 102 -13.832 10.327 5.848 1.00 0.00 C ATOM 1625 O LYS A 102 -14.111 11.438 5.399 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.974 9.178 6.441 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.671 9.158 7.929 1.00 0.00 C ATOM 1628 CD LYS A 102 -15.627 7.738 8.468 1.00 0.00 C ATOM 1629 CE LYS A 102 -15.915 7.700 9.962 1.00 0.00 C ATOM 1630 NZ LYS A 102 -15.920 6.308 10.490 1.00 0.00 N ATOM 0 H LYS A 102 -14.455 7.241 6.442 1.00 0.00 H new ATOM 0 HA LYS A 102 -15.023 9.158 4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.535 10.082 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.617 8.332 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.715 9.648 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.430 9.728 8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -16.357 7.124 7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.646 7.304 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.164 8.287 10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -16.881 8.166 10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -16.120 6.325 11.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.653 5.754 10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.990 5.871 10.326 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.759 10.096 6.597 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.826 11.162 6.945 1.00 0.00 C ATOM 1646 C GLN A 103 -10.764 11.329 5.863 1.00 0.00 C ATOM 1647 O GLN A 103 -10.113 12.370 5.773 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.161 10.869 8.291 1.00 0.00 C ATOM 1649 CG GLN A 103 -10.746 9.416 8.459 1.00 0.00 C ATOM 1650 CD GLN A 103 -9.795 9.213 9.624 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -9.482 10.153 10.355 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -9.333 7.982 9.802 1.00 0.00 N ATOM 0 H GLN A 103 -12.514 9.181 6.975 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.389 12.092 7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.282 11.504 8.399 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -11.849 11.137 9.093 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -11.635 8.803 8.609 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -10.270 9.069 7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -9.620 7.233 9.171 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.691 7.784 10.570 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.592 10.296 5.045 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.607 10.327 3.969 1.00 0.00 C ATOM 1663 C LEU A 104 -10.290 10.409 2.609 1.00 0.00 C ATOM 1664 O LEU A 104 -10.854 9.428 2.125 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.715 9.085 4.031 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.353 9.203 3.346 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.366 9.932 4.244 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.823 7.825 2.976 1.00 0.00 C ATOM 0 H LEU A 104 -11.122 9.427 5.106 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.990 11.216 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.552 8.831 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.255 8.252 3.581 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.476 9.782 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.402 10.007 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.741 10.932 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.246 9.380 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.853 7.927 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.715 7.222 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.521 7.337 2.295 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.233 11.587 1.995 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.844 11.796 0.686 1.00 0.00 C ATOM 1682 C ASP A 105 -9.793 12.193 -0.346 1.00 0.00 C ATOM 1683 O ASP A 105 -9.495 13.375 -0.522 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.925 12.875 0.772 1.00 0.00 C ATOM 1685 CG ASP A 105 -12.925 12.783 -0.363 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -12.560 13.134 -1.504 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -14.074 12.361 -0.111 1.00 0.00 O ATOM 0 H ASP A 105 -9.771 12.410 2.382 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.301 10.858 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.450 12.785 1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.455 13.858 0.759 1.00 0.00 H new ATOM 1692 N THR A 106 -9.234 11.198 -1.026 1.00 0.00 N ATOM 1693 CA THR A 106 -8.215 11.442 -2.039 1.00 0.00 C ATOM 1694 C THR A 106 -7.877 10.164 -2.798 1.00 0.00 C ATOM 1695 O THR A 106 -8.099 9.057 -2.304 1.00 0.00 O ATOM 1696 CB THR A 106 -6.927 12.010 -1.415 1.00 0.00 C ATOM 1697 OG1 THR A 106 -6.068 12.521 -2.441 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.193 10.941 -0.618 1.00 0.00 C ATOM 0 H THR A 106 -9.470 10.215 -0.894 1.00 0.00 H new ATOM 0 HA THR A 106 -8.628 12.175 -2.732 1.00 0.00 H new ATOM 0 HB THR A 106 -7.205 12.818 -0.739 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.252 12.882 -2.035 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.287 11.366 -0.187 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.838 10.576 0.181 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.928 10.114 -1.277 1.00 0.00 H new ATOM 1706 N THR A 107 -7.337 10.322 -4.003 1.00 0.00 N ATOM 1707 CA THR A 107 -6.968 9.180 -4.831 1.00 0.00 C ATOM 1708 C THR A 107 -5.496 9.237 -5.223 1.00 0.00 C ATOM 1709 O THR A 107 -5.003 10.272 -5.674 1.00 0.00 O ATOM 1710 CB THR A 107 -7.826 9.113 -6.108 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.749 10.355 -6.816 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.277 8.804 -5.771 1.00 0.00 C ATOM 0 H THR A 107 -7.146 11.230 -4.427 1.00 0.00 H new ATOM 0 HA THR A 107 -7.147 8.286 -4.234 1.00 0.00 H new ATOM 0 HB THR A 107 -7.438 8.312 -6.737 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.296 10.303 -7.628 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.863 8.762 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.335 7.843 -5.259 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.674 9.585 -5.123 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.798 8.120 -5.049 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.381 8.044 -5.385 1.00 0.00 C ATOM 1722 C LEU A 108 -3.064 8.900 -6.606 1.00 0.00 C ATOM 1723 O LEU A 108 -3.361 8.520 -7.739 1.00 0.00 O ATOM 1724 CB LEU A 108 -2.977 6.591 -5.647 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.546 5.551 -4.681 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -2.952 4.180 -4.964 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.282 5.963 -3.240 1.00 0.00 C ATOM 0 H LEU A 108 -5.190 7.255 -4.677 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.811 8.427 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.286 6.326 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.889 6.527 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.624 5.494 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.368 3.452 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.192 3.883 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.870 4.220 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.693 5.212 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.208 6.048 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.756 6.925 -3.044 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.458 10.058 -6.369 1.00 0.00 N ATOM 1740 CA LYS A 109 -2.097 10.969 -7.450 1.00 0.00 C ATOM 1741 C LYS A 109 -0.667 10.718 -7.918 1.00 0.00 C ATOM 1742 O LYS A 109 -0.445 10.151 -8.988 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.247 12.421 -6.991 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.622 13.007 -7.265 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.850 14.285 -6.477 1.00 0.00 C ATOM 1746 CE LYS A 109 -5.332 14.557 -6.273 1.00 0.00 C ATOM 1747 NZ LYS A 109 -5.567 15.821 -5.523 1.00 0.00 N ATOM 0 H LYS A 109 -2.206 10.389 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.772 10.787 -8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.044 12.478 -5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.495 13.031 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.725 13.212 -8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.388 12.277 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.356 14.209 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.394 15.124 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.827 14.613 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.783 13.725 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.590 15.970 -5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.116 15.759 -4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.160 16.619 -6.051 1.00 0.00 H new ATOM 1761 N TYR A 110 0.298 11.140 -7.109 1.00 0.00 N ATOM 1762 CA TYR A 110 1.707 10.961 -7.442 1.00 0.00 C ATOM 1763 C TYR A 110 2.371 9.977 -6.484 1.00 0.00 C ATOM 1764 O TYR A 110 2.025 9.886 -5.306 1.00 0.00 O ATOM 1765 CB TYR A 110 2.437 12.304 -7.398 1.00 0.00 C ATOM 1766 CG TYR A 110 1.620 13.455 -7.942 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.609 13.742 -9.302 1.00 0.00 C ATOM 1768 CD2 TYR A 110 0.861 14.255 -7.097 1.00 0.00 C ATOM 1769 CE1 TYR A 110 0.865 14.793 -9.803 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.113 15.306 -7.590 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.120 15.573 -8.943 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.624 16.619 -9.439 1.00 0.00 O ATOM 0 H TYR A 110 0.131 11.608 -6.218 1.00 0.00 H new ATOM 0 HA TYR A 110 1.768 10.555 -8.452 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.716 12.523 -6.367 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.362 12.224 -7.969 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.191 13.134 -9.978 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.856 14.051 -6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.867 15.003 -10.862 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.474 15.916 -6.919 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.091 17.067 -8.703 1.00 0.00 H new ATOM 1782 N PRO A 111 3.351 9.220 -7.001 1.00 0.00 N ATOM 1783 CA PRO A 111 4.087 8.230 -6.210 1.00 0.00 C ATOM 1784 C PRO A 111 5.000 8.876 -5.175 1.00 0.00 C ATOM 1785 O PRO A 111 4.887 10.069 -4.893 1.00 0.00 O ATOM 1786 CB PRO A 111 4.914 7.482 -7.259 1.00 0.00 C ATOM 1787 CG PRO A 111 5.076 8.453 -8.377 1.00 0.00 C ATOM 1788 CD PRO A 111 3.816 9.274 -8.397 1.00 0.00 C ATOM 0 HA PRO A 111 3.418 7.588 -5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.880 7.176 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.406 6.577 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.951 9.084 -8.222 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.220 7.936 -9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.009 10.298 -8.717 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.077 8.859 -9.083 1.00 0.00 H new ATOM 1796 N TYR A 112 5.903 8.082 -4.611 1.00 0.00 N ATOM 1797 CA TYR A 112 6.834 8.578 -3.604 1.00 0.00 C ATOM 1798 C TYR A 112 8.139 9.037 -4.248 1.00 0.00 C ATOM 1799 O TYR A 112 8.269 9.053 -5.473 1.00 0.00 O ATOM 1800 CB TYR A 112 7.120 7.493 -2.565 1.00 0.00 C ATOM 1801 CG TYR A 112 8.323 6.638 -2.897 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.323 5.808 -4.013 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.458 6.659 -2.097 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.420 5.026 -4.320 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.558 5.880 -2.397 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.535 5.065 -3.509 1.00 0.00 C ATOM 1807 OH TYR A 112 11.629 4.287 -3.811 1.00 0.00 O ATOM 0 H TYR A 112 6.010 7.092 -4.834 1.00 0.00 H new ATOM 0 HA TYR A 112 6.373 9.433 -3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.276 7.964 -1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.244 6.852 -2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.451 5.774 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.481 7.296 -1.225 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.404 4.387 -5.191 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.432 5.909 -1.764 1.00 0.00 H new ATOM 0 HH TYR A 112 12.329 4.433 -3.141 1.00 0.00 H new ATOM 1817 N SER A 113 9.103 9.412 -3.414 1.00 0.00 N ATOM 1818 CA SER A 113 10.398 9.876 -3.899 1.00 0.00 C ATOM 1819 C SER A 113 11.321 8.697 -4.195 1.00 0.00 C ATOM 1820 O SER A 113 12.272 8.439 -3.459 1.00 0.00 O ATOM 1821 CB SER A 113 11.050 10.804 -2.873 1.00 0.00 C ATOM 1822 OG SER A 113 12.382 11.115 -3.240 1.00 0.00 O ATOM 0 H SER A 113 9.012 9.404 -2.398 1.00 0.00 H new ATOM 0 HA SER A 113 10.234 10.429 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.469 11.722 -2.788 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.041 10.329 -1.892 1.00 0.00 H new ATOM 0 HG SER A 113 12.931 10.305 -3.196 1.00 0.00 H new