USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 550 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 95 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-1.6!) USER MOD Set 1.2: A 114 SER OG : rot -140:sc= -0.0282 USER MOD Set 2.1: A 47 THR OG1 : rot 162:sc= -0.914 USER MOD Set 2.2: A 83 SER OG : rot 180:sc= 0.828 USER MOD Set 3.1: A 53 ASN : amide:sc= -2.21 K(o=-9.8,f=-16!) USER MOD Set 3.2: A 76 HIS : no HE2:sc= -7.6 X(o=-9.8,f=-9.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -65:sc= -0.0214 USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.195 (180deg=-0.55) USER MOD Single : A 45 SER OG : rot 180:sc= -0.68 USER MOD Single : A 48 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=-0.037) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 120:sc= -0.508 USER MOD Single : A 82 THR OG1 : rot 52:sc= 1 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 14:sc= 1.09 USER MOD Single : A 93 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0802) USER MOD Single : A 96 GLN : amide:sc= -0.161 K(o=-0.16,f=-1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -131:sc= 1.62 USER MOD Single : A 107 LYS NZ :NH3+ 155:sc= 0.371 (180deg=0.139) USER MOD Single : A 111 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.17) USER MOD Single : A 115 MET CE :methyl 163:sc= 0 (180deg=-0.16) USER MOD Single : A 116 THR OG1 : rot -129:sc= -0.231 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -93:sc= 0.749 USER MOD ----------------------------------------------------------------- ATOM 153 N ALA A 35 0.708 6.698 8.516 1.00 22.52 N ATOM 154 CA ALA A 35 0.520 5.613 7.561 1.00 25.11 C ATOM 155 C ALA A 35 -0.843 4.954 7.741 1.00 73.43 C ATOM 156 O ALA A 35 -1.513 4.615 6.763 1.00 31.14 O ATOM 157 CB ALA A 35 1.630 4.583 7.707 1.00 70.33 C ATOM 0 HA ALA A 35 0.561 6.035 6.557 1.00 25.11 H new ATOM 0 HB1 ALA A 35 1.477 3.779 6.988 1.00 70.33 H new ATOM 0 HB2 ALA A 35 2.593 5.058 7.521 1.00 70.33 H new ATOM 0 HB3 ALA A 35 1.616 4.174 8.717 1.00 70.33 H new ATOM 163 N ILE A 36 -1.248 4.775 8.993 1.00 31.52 N ATOM 164 CA ILE A 36 -2.532 4.156 9.299 1.00 2.31 C ATOM 165 C ILE A 36 -3.664 4.833 8.534 1.00 73.52 C ATOM 166 O ILE A 36 -4.669 4.202 8.203 1.00 53.43 O ATOM 167 CB ILE A 36 -2.840 4.214 10.807 1.00 61.32 C ATOM 168 CG1 ILE A 36 -3.488 5.552 11.166 1.00 41.21 C ATOM 169 CG2 ILE A 36 -1.569 4.001 11.615 1.00 63.41 C ATOM 170 CD1 ILE A 36 -3.369 5.908 12.632 1.00 24.44 C ATOM 0 H ILE A 36 -0.706 5.050 9.812 1.00 31.52 H new ATOM 0 HA ILE A 36 -2.461 3.113 8.991 1.00 2.31 H new ATOM 0 HB ILE A 36 -3.541 3.416 11.051 1.00 61.32 H new ATOM 0 HG12 ILE A 36 -3.028 6.341 10.571 1.00 41.21 H new ATOM 0 HG13 ILE A 36 -4.543 5.520 10.893 1.00 41.21 H new ATOM 0 HG21 ILE A 36 -1.803 4.045 12.679 1.00 63.41 H new ATOM 0 HG22 ILE A 36 -1.145 3.026 11.376 1.00 63.41 H new ATOM 0 HG23 ILE A 36 -0.847 4.780 11.370 1.00 63.41 H new ATOM 0 HD11 ILE A 36 -3.851 6.869 12.813 1.00 24.44 H new ATOM 0 HD12 ILE A 36 -3.854 5.140 13.234 1.00 24.44 H new ATOM 0 HD13 ILE A 36 -2.316 5.972 12.906 1.00 24.44 H new ATOM 182 N LYS A 37 -3.495 6.121 8.255 1.00 61.53 N ATOM 183 CA LYS A 37 -4.500 6.884 7.525 1.00 15.45 C ATOM 184 C LYS A 37 -4.710 6.313 6.127 1.00 45.11 C ATOM 185 O LYS A 37 -5.843 6.173 5.666 1.00 23.43 O ATOM 186 CB LYS A 37 -4.085 8.354 7.430 1.00 24.22 C ATOM 187 CG LYS A 37 -3.963 9.041 8.780 1.00 74.33 C ATOM 188 CD LYS A 37 -5.328 9.358 9.369 1.00 40.23 C ATOM 189 CE LYS A 37 -5.206 10.107 10.687 1.00 72.42 C ATOM 190 NZ LYS A 37 -4.817 9.202 11.804 1.00 2.43 N ATOM 0 H LYS A 37 -2.671 6.659 8.524 1.00 61.53 H new ATOM 0 HA LYS A 37 -5.440 6.812 8.072 1.00 15.45 H new ATOM 0 HB2 LYS A 37 -3.129 8.420 6.911 1.00 24.22 H new ATOM 0 HB3 LYS A 37 -4.815 8.890 6.824 1.00 24.22 H new ATOM 0 HG2 LYS A 37 -3.409 8.401 9.467 1.00 74.33 H new ATOM 0 HG3 LYS A 37 -3.390 9.962 8.670 1.00 74.33 H new ATOM 0 HD2 LYS A 37 -5.901 9.957 8.661 1.00 40.23 H new ATOM 0 HD3 LYS A 37 -5.882 8.432 9.525 1.00 40.23 H new ATOM 0 HE2 LYS A 37 -4.465 10.900 10.587 1.00 72.42 H new ATOM 0 HE3 LYS A 37 -6.156 10.586 10.922 1.00 72.42 H new ATOM 0 HZ1 LYS A 37 -4.744 9.750 12.685 1.00 2.43 H new ATOM 0 HZ2 LYS A 37 -5.537 8.460 11.916 1.00 2.43 H new ATOM 0 HZ3 LYS A 37 -3.898 8.764 11.592 1.00 2.43 H new ATOM 204 N SER A 38 -3.610 5.984 5.456 1.00 13.25 N ATOM 205 CA SER A 38 -3.674 5.430 4.109 1.00 23.25 C ATOM 206 C SER A 38 -4.316 4.046 4.120 1.00 3.45 C ATOM 207 O SER A 38 -5.120 3.714 3.250 1.00 11.31 O ATOM 208 CB SER A 38 -2.271 5.348 3.502 1.00 0.31 C ATOM 209 OG SER A 38 -1.651 4.114 3.815 1.00 30.15 O ATOM 0 H SER A 38 -2.665 6.092 5.823 1.00 13.25 H new ATOM 0 HA SER A 38 -4.289 6.092 3.499 1.00 23.25 H new ATOM 0 HB2 SER A 38 -2.332 5.463 2.420 1.00 0.31 H new ATOM 0 HB3 SER A 38 -1.661 6.170 3.876 1.00 0.31 H new ATOM 0 HG SER A 38 -1.501 4.059 4.782 1.00 30.15 H new ATOM 215 N LYS A 39 -3.954 3.241 5.114 1.00 0.51 N ATOM 216 CA LYS A 39 -4.495 1.893 5.243 1.00 63.44 C ATOM 217 C LYS A 39 -6.009 1.929 5.426 1.00 22.11 C ATOM 218 O LYS A 39 -6.737 1.147 4.815 1.00 42.44 O ATOM 219 CB LYS A 39 -3.844 1.171 6.424 1.00 44.10 C ATOM 220 CG LYS A 39 -2.385 1.540 6.634 1.00 54.04 C ATOM 221 CD LYS A 39 -1.694 0.566 7.574 1.00 41.41 C ATOM 222 CE LYS A 39 -2.380 0.520 8.931 1.00 24.50 C ATOM 223 NZ LYS A 39 -1.438 0.840 10.039 1.00 10.42 N ATOM 0 H LYS A 39 -3.288 3.499 5.842 1.00 0.51 H new ATOM 0 HA LYS A 39 -4.271 1.349 4.325 1.00 63.44 H new ATOM 0 HB2 LYS A 39 -4.402 1.400 7.332 1.00 44.10 H new ATOM 0 HB3 LYS A 39 -3.919 0.095 6.267 1.00 44.10 H new ATOM 0 HG2 LYS A 39 -1.869 1.549 5.674 1.00 54.04 H new ATOM 0 HG3 LYS A 39 -2.319 2.549 7.041 1.00 54.04 H new ATOM 0 HD2 LYS A 39 -1.693 -0.430 7.131 1.00 41.41 H new ATOM 0 HD3 LYS A 39 -0.652 0.859 7.702 1.00 41.41 H new ATOM 0 HE2 LYS A 39 -3.209 1.228 8.943 1.00 24.50 H new ATOM 0 HE3 LYS A 39 -2.805 -0.471 9.090 1.00 24.50 H new ATOM 0 HZ1 LYS A 39 -1.978 1.098 10.890 1.00 10.42 H new ATOM 0 HZ2 LYS A 39 -0.846 0.009 10.243 1.00 10.42 H new ATOM 0 HZ3 LYS A 39 -0.831 1.637 9.759 1.00 10.42 H new ATOM 237 N VAL A 40 -6.477 2.842 6.272 1.00 63.32 N ATOM 238 CA VAL A 40 -7.904 2.982 6.534 1.00 62.02 C ATOM 239 C VAL A 40 -8.675 3.254 5.247 1.00 0.40 C ATOM 240 O VAL A 40 -9.794 2.775 5.070 1.00 72.54 O ATOM 241 CB VAL A 40 -8.182 4.117 7.537 1.00 65.31 C ATOM 242 CG1 VAL A 40 -9.677 4.366 7.660 1.00 74.21 C ATOM 243 CG2 VAL A 40 -7.574 3.791 8.893 1.00 42.04 C ATOM 0 H VAL A 40 -5.888 3.496 6.788 1.00 63.32 H new ATOM 0 HA VAL A 40 -8.241 2.038 6.963 1.00 62.02 H new ATOM 0 HB VAL A 40 -7.715 5.029 7.165 1.00 65.31 H new ATOM 0 HG11 VAL A 40 -9.854 5.171 8.373 1.00 74.21 H new ATOM 0 HG12 VAL A 40 -10.080 4.647 6.687 1.00 74.21 H new ATOM 0 HG13 VAL A 40 -10.170 3.458 8.008 1.00 74.21 H new ATOM 0 HG21 VAL A 40 -7.780 4.604 9.589 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -8.009 2.867 9.274 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -6.496 3.668 8.788 1.00 42.04 H new ATOM 253 N GLU A 41 -8.067 4.027 4.353 1.00 40.22 N ATOM 254 CA GLU A 41 -8.698 4.364 3.082 1.00 73.04 C ATOM 255 C GLU A 41 -8.968 3.108 2.258 1.00 63.34 C ATOM 256 O GLU A 41 -9.889 3.073 1.442 1.00 2.05 O ATOM 257 CB GLU A 41 -7.814 5.328 2.287 1.00 2.20 C ATOM 258 CG GLU A 41 -7.544 6.639 3.006 1.00 2.10 C ATOM 259 CD GLU A 41 -8.608 7.684 2.733 1.00 31.24 C ATOM 260 OE1 GLU A 41 -9.545 7.390 1.962 1.00 0.02 O ATOM 261 OE2 GLU A 41 -8.504 8.795 3.293 1.00 52.53 O ATOM 0 H GLU A 41 -7.140 4.431 4.485 1.00 40.22 H new ATOM 0 HA GLU A 41 -9.650 4.849 3.297 1.00 73.04 H new ATOM 0 HB2 GLU A 41 -6.864 4.840 2.069 1.00 2.20 H new ATOM 0 HB3 GLU A 41 -8.291 5.540 1.330 1.00 2.20 H new ATOM 0 HG2 GLU A 41 -7.487 6.456 4.079 1.00 2.10 H new ATOM 0 HG3 GLU A 41 -6.573 7.025 2.697 1.00 2.10 H new ATOM 268 N ALA A 42 -8.156 2.079 2.478 1.00 43.13 N ATOM 269 CA ALA A 42 -8.307 0.821 1.758 1.00 32.40 C ATOM 270 C ALA A 42 -9.332 -0.082 2.438 1.00 43.25 C ATOM 271 O ALA A 42 -9.916 -0.960 1.804 1.00 22.41 O ATOM 272 CB ALA A 42 -6.965 0.110 1.649 1.00 14.23 C ATOM 0 H ALA A 42 -7.388 2.092 3.149 1.00 43.13 H new ATOM 0 HA ALA A 42 -8.669 1.047 0.755 1.00 32.40 H new ATOM 0 HB1 ALA A 42 -7.093 -0.828 1.109 1.00 14.23 H new ATOM 0 HB2 ALA A 42 -6.260 0.744 1.112 1.00 14.23 H new ATOM 0 HB3 ALA A 42 -6.580 -0.096 2.648 1.00 14.23 H new ATOM 278 N ALA A 43 -9.545 0.142 3.730 1.00 0.11 N ATOM 279 CA ALA A 43 -10.501 -0.649 4.495 1.00 62.10 C ATOM 280 C ALA A 43 -11.915 -0.477 3.952 1.00 73.34 C ATOM 281 O ALA A 43 -12.741 -1.388 4.041 1.00 2.15 O ATOM 282 CB ALA A 43 -10.448 -0.264 5.966 1.00 44.33 C ATOM 0 H ALA A 43 -9.068 0.865 4.269 1.00 0.11 H new ATOM 0 HA ALA A 43 -10.227 -1.699 4.396 1.00 62.10 H new ATOM 0 HB1 ALA A 43 -11.167 -0.863 6.525 1.00 44.33 H new ATOM 0 HB2 ALA A 43 -9.446 -0.445 6.354 1.00 44.33 H new ATOM 0 HB3 ALA A 43 -10.693 0.792 6.075 1.00 44.33 H new ATOM 288 N LEU A 44 -12.189 0.694 3.388 1.00 71.14 N ATOM 289 CA LEU A 44 -13.506 0.985 2.830 1.00 23.34 C ATOM 290 C LEU A 44 -13.847 0.014 1.703 1.00 4.51 C ATOM 291 O LEU A 44 -15.010 -0.139 1.334 1.00 14.43 O ATOM 292 CB LEU A 44 -13.555 2.423 2.312 1.00 43.03 C ATOM 293 CG LEU A 44 -13.951 3.491 3.331 1.00 40.22 C ATOM 294 CD1 LEU A 44 -13.304 3.210 4.678 1.00 5.12 C ATOM 295 CD2 LEU A 44 -13.566 4.876 2.830 1.00 33.25 C ATOM 0 H LEU A 44 -11.518 1.457 3.305 1.00 71.14 H new ATOM 0 HA LEU A 44 -14.244 0.865 3.623 1.00 23.34 H new ATOM 0 HB2 LEU A 44 -12.573 2.677 1.912 1.00 43.03 H new ATOM 0 HB3 LEU A 44 -14.258 2.464 1.480 1.00 43.03 H new ATOM 0 HG LEU A 44 -15.033 3.461 3.458 1.00 40.22 H new ATOM 0 HD11 LEU A 44 -13.598 3.981 5.391 1.00 5.12 H new ATOM 0 HD12 LEU A 44 -13.630 2.236 5.042 1.00 5.12 H new ATOM 0 HD13 LEU A 44 -12.220 3.211 4.568 1.00 5.12 H new ATOM 0 HD21 LEU A 44 -13.856 5.624 3.568 1.00 33.25 H new ATOM 0 HD22 LEU A 44 -12.488 4.920 2.673 1.00 33.25 H new ATOM 0 HD23 LEU A 44 -14.078 5.078 1.889 1.00 33.25 H new ATOM 307 N SER A 45 -12.823 -0.639 1.163 1.00 21.43 N ATOM 308 CA SER A 45 -13.014 -1.595 0.077 1.00 1.14 C ATOM 309 C SER A 45 -12.642 -3.005 0.524 1.00 34.42 C ATOM 310 O SER A 45 -11.831 -3.204 1.429 1.00 61.04 O ATOM 311 CB SER A 45 -12.174 -1.193 -1.136 1.00 70.51 C ATOM 312 OG SER A 45 -11.723 -2.335 -1.844 1.00 73.44 O ATOM 0 H SER A 45 -11.854 -0.524 1.459 1.00 21.43 H new ATOM 0 HA SER A 45 -14.068 -1.588 -0.201 1.00 1.14 H new ATOM 0 HB2 SER A 45 -12.765 -0.560 -1.798 1.00 70.51 H new ATOM 0 HB3 SER A 45 -11.318 -0.602 -0.810 1.00 70.51 H new ATOM 0 HG SER A 45 -11.190 -2.052 -2.616 1.00 73.44 H new ATOM 318 N PRO A 46 -13.249 -4.009 -0.126 1.00 23.45 N ATOM 319 CA PRO A 46 -12.998 -5.420 0.185 1.00 70.00 C ATOM 320 C PRO A 46 -11.600 -5.865 -0.231 1.00 11.13 C ATOM 321 O PRO A 46 -11.417 -6.462 -1.292 1.00 64.32 O ATOM 322 CB PRO A 46 -14.060 -6.159 -0.634 1.00 22.04 C ATOM 323 CG PRO A 46 -14.375 -5.239 -1.762 1.00 50.53 C ATOM 324 CD PRO A 46 -14.227 -3.846 -1.215 1.00 20.13 C ATOM 0 HA PRO A 46 -13.053 -5.617 1.256 1.00 70.00 H new ATOM 0 HB2 PRO A 46 -13.685 -7.116 -0.996 1.00 22.04 H new ATOM 0 HB3 PRO A 46 -14.946 -6.370 -0.035 1.00 22.04 H new ATOM 0 HG2 PRO A 46 -13.698 -5.403 -2.600 1.00 50.53 H new ATOM 0 HG3 PRO A 46 -15.386 -5.407 -2.132 1.00 50.53 H new ATOM 0 HD2 PRO A 46 -13.870 -3.152 -1.975 1.00 20.13 H new ATOM 0 HD3 PRO A 46 -15.176 -3.456 -0.848 1.00 20.13 H new ATOM 332 N THR A 47 -10.615 -5.572 0.613 1.00 41.04 N ATOM 333 CA THR A 47 -9.233 -5.942 0.333 1.00 44.54 C ATOM 334 C THR A 47 -8.421 -6.049 1.618 1.00 32.31 C ATOM 335 O THR A 47 -8.968 -5.964 2.719 1.00 62.14 O ATOM 336 CB THR A 47 -8.557 -4.921 -0.603 1.00 52.03 C ATOM 337 OG1 THR A 47 -7.303 -5.436 -1.065 1.00 54.32 O ATOM 338 CG2 THR A 47 -8.337 -3.596 0.110 1.00 3.42 C ATOM 0 H THR A 47 -10.749 -5.079 1.496 1.00 41.04 H new ATOM 0 HA THR A 47 -9.260 -6.914 -0.159 1.00 44.54 H new ATOM 0 HB THR A 47 -9.215 -4.751 -1.455 1.00 52.03 H new ATOM 0 HG1 THR A 47 -7.016 -4.936 -1.857 1.00 54.32 H new ATOM 0 HG21 THR A 47 -7.859 -2.892 -0.571 1.00 3.42 H new ATOM 0 HG22 THR A 47 -9.297 -3.193 0.434 1.00 3.42 H new ATOM 0 HG23 THR A 47 -7.698 -3.752 0.979 1.00 3.42 H new ATOM 346 N HIS A 48 -7.113 -6.237 1.473 1.00 53.23 N ATOM 347 CA HIS A 48 -6.226 -6.356 2.624 1.00 43.53 C ATOM 348 C HIS A 48 -5.057 -5.382 2.511 1.00 24.43 C ATOM 349 O HIS A 48 -4.536 -5.145 1.420 1.00 3.12 O ATOM 350 CB HIS A 48 -5.702 -7.787 2.746 1.00 43.02 C ATOM 351 CG HIS A 48 -4.669 -7.958 3.818 1.00 54.32 C ATOM 352 ND1 HIS A 48 -4.963 -7.893 5.163 1.00 41.22 N ATOM 353 CD2 HIS A 48 -3.339 -8.195 3.735 1.00 1.32 C ATOM 354 CE1 HIS A 48 -3.858 -8.080 5.862 1.00 24.22 C ATOM 355 NE2 HIS A 48 -2.858 -8.267 5.019 1.00 41.21 N ATOM 0 H HIS A 48 -6.644 -6.310 0.570 1.00 53.23 H new ATOM 0 HA HIS A 48 -6.797 -6.109 3.519 1.00 43.53 H new ATOM 0 HB2 HIS A 48 -6.539 -8.455 2.949 1.00 43.02 H new ATOM 0 HB3 HIS A 48 -5.276 -8.092 1.790 1.00 43.02 H new ATOM 0 HD2 HIS A 48 -2.763 -8.307 2.828 1.00 1.32 H new ATOM 0 HE1 HIS A 48 -3.784 -8.080 6.939 1.00 24.22 H new ATOM 0 HE2 HIS A 48 -1.887 -8.437 5.280 1.00 41.21 H new ATOM 363 N PHE A 49 -4.649 -4.819 3.644 1.00 61.31 N ATOM 364 CA PHE A 49 -3.542 -3.870 3.672 1.00 71.41 C ATOM 365 C PHE A 49 -2.513 -4.265 4.727 1.00 13.22 C ATOM 366 O PHE A 49 -2.850 -4.471 5.893 1.00 75.31 O ATOM 367 CB PHE A 49 -4.061 -2.459 3.951 1.00 2.44 C ATOM 368 CG PHE A 49 -5.207 -2.422 4.923 1.00 63.25 C ATOM 369 CD1 PHE A 49 -6.512 -2.568 4.480 1.00 43.11 C ATOM 370 CD2 PHE A 49 -4.977 -2.242 6.277 1.00 55.43 C ATOM 371 CE1 PHE A 49 -7.567 -2.533 5.371 1.00 31.30 C ATOM 372 CE2 PHE A 49 -6.029 -2.208 7.173 1.00 51.42 C ATOM 373 CZ PHE A 49 -7.326 -2.355 6.719 1.00 12.53 C ATOM 0 H PHE A 49 -5.069 -5.004 4.555 1.00 61.31 H new ATOM 0 HA PHE A 49 -3.058 -3.885 2.696 1.00 71.41 H new ATOM 0 HB2 PHE A 49 -3.245 -1.851 4.341 1.00 2.44 H new ATOM 0 HB3 PHE A 49 -4.377 -2.004 3.012 1.00 2.44 H new ATOM 0 HD1 PHE A 49 -6.706 -2.711 3.427 1.00 43.11 H new ATOM 0 HD2 PHE A 49 -3.965 -2.127 6.636 1.00 55.43 H new ATOM 0 HE1 PHE A 49 -8.580 -2.645 5.013 1.00 31.30 H new ATOM 0 HE2 PHE A 49 -5.838 -2.067 8.226 1.00 51.42 H new ATOM 0 HZ PHE A 49 -8.150 -2.331 7.417 1.00 12.53 H new ATOM 383 N LYS A 50 -1.256 -4.367 4.310 1.00 61.22 N ATOM 384 CA LYS A 50 -0.176 -4.736 5.218 1.00 63.21 C ATOM 385 C LYS A 50 0.876 -3.633 5.288 1.00 30.31 C ATOM 386 O LYS A 50 1.571 -3.360 4.308 1.00 34.14 O ATOM 387 CB LYS A 50 0.473 -6.046 4.765 1.00 72.21 C ATOM 388 CG LYS A 50 1.817 -6.316 5.419 1.00 42.33 C ATOM 389 CD LYS A 50 2.486 -7.548 4.830 1.00 50.43 C ATOM 390 CE LYS A 50 2.828 -8.564 5.908 1.00 62.25 C ATOM 391 NZ LYS A 50 3.848 -9.545 5.442 1.00 75.34 N ATOM 0 H LYS A 50 -0.960 -4.199 3.349 1.00 61.22 H new ATOM 0 HA LYS A 50 -0.601 -4.873 6.212 1.00 63.21 H new ATOM 0 HB2 LYS A 50 -0.202 -6.872 4.987 1.00 72.21 H new ATOM 0 HB3 LYS A 50 0.603 -6.022 3.683 1.00 72.21 H new ATOM 0 HG2 LYS A 50 2.467 -5.451 5.289 1.00 42.33 H new ATOM 0 HG3 LYS A 50 1.680 -6.453 6.492 1.00 42.33 H new ATOM 0 HD2 LYS A 50 1.825 -8.005 4.094 1.00 50.43 H new ATOM 0 HD3 LYS A 50 3.394 -7.254 4.304 1.00 50.43 H new ATOM 0 HE2 LYS A 50 3.200 -8.045 6.791 1.00 62.25 H new ATOM 0 HE3 LYS A 50 1.924 -9.094 6.207 1.00 62.25 H new ATOM 0 HZ1 LYS A 50 4.054 -10.221 6.205 1.00 75.34 H new ATOM 0 HZ2 LYS A 50 3.483 -10.058 4.614 1.00 75.34 H new ATOM 0 HZ3 LYS A 50 4.720 -9.042 5.181 1.00 75.34 H new ATOM 405 N LEU A 51 0.989 -3.004 6.452 1.00 54.30 N ATOM 406 CA LEU A 51 1.958 -1.932 6.651 1.00 55.41 C ATOM 407 C LEU A 51 2.819 -2.196 7.883 1.00 74.11 C ATOM 408 O LEU A 51 2.306 -2.310 8.996 1.00 71.41 O ATOM 409 CB LEU A 51 1.239 -0.589 6.796 1.00 71.32 C ATOM 410 CG LEU A 51 2.137 0.638 6.965 1.00 52.24 C ATOM 411 CD1 LEU A 51 1.605 1.804 6.146 1.00 3.32 C ATOM 412 CD2 LEU A 51 2.246 1.021 8.433 1.00 32.23 C ATOM 0 H LEU A 51 0.422 -3.218 7.272 1.00 54.30 H new ATOM 0 HA LEU A 51 2.609 -1.897 5.777 1.00 55.41 H new ATOM 0 HB2 LEU A 51 0.613 -0.438 5.917 1.00 71.32 H new ATOM 0 HB3 LEU A 51 0.572 -0.648 7.656 1.00 71.32 H new ATOM 0 HG LEU A 51 3.134 0.389 6.601 1.00 52.24 H new ATOM 0 HD11 LEU A 51 2.256 2.668 6.278 1.00 3.32 H new ATOM 0 HD12 LEU A 51 1.579 1.527 5.092 1.00 3.32 H new ATOM 0 HD13 LEU A 51 0.598 2.054 6.480 1.00 3.32 H new ATOM 0 HD21 LEU A 51 2.889 1.896 8.534 1.00 32.23 H new ATOM 0 HD22 LEU A 51 1.255 1.252 8.823 1.00 32.23 H new ATOM 0 HD23 LEU A 51 2.673 0.190 8.995 1.00 32.23 H new ATOM 424 N ILE A 52 4.127 -2.290 7.674 1.00 33.15 N ATOM 425 CA ILE A 52 5.058 -2.538 8.768 1.00 22.12 C ATOM 426 C ILE A 52 6.165 -1.489 8.796 1.00 73.24 C ATOM 427 O ILE A 52 7.000 -1.429 7.893 1.00 55.11 O ATOM 428 CB ILE A 52 5.694 -3.937 8.660 1.00 22.13 C ATOM 429 CG1 ILE A 52 6.314 -4.134 7.275 1.00 55.34 C ATOM 430 CG2 ILE A 52 4.657 -5.014 8.940 1.00 11.23 C ATOM 431 CD1 ILE A 52 7.801 -4.407 7.311 1.00 52.31 C ATOM 0 H ILE A 52 4.566 -2.198 6.758 1.00 33.15 H new ATOM 0 HA ILE A 52 4.482 -2.480 9.692 1.00 22.12 H new ATOM 0 HB ILE A 52 6.484 -4.019 9.406 1.00 22.13 H new ATOM 0 HG12 ILE A 52 5.813 -4.964 6.776 1.00 55.34 H new ATOM 0 HG13 ILE A 52 6.131 -3.243 6.674 1.00 55.34 H new ATOM 0 HG21 ILE A 52 5.122 -5.997 8.860 1.00 11.23 H new ATOM 0 HG22 ILE A 52 4.258 -4.882 9.946 1.00 11.23 H new ATOM 0 HG23 ILE A 52 3.847 -4.936 8.215 1.00 11.23 H new ATOM 0 HD11 ILE A 52 8.172 -4.536 6.294 1.00 52.31 H new ATOM 0 HD12 ILE A 52 8.314 -3.568 7.781 1.00 52.31 H new ATOM 0 HD13 ILE A 52 7.991 -5.314 7.884 1.00 52.31 H new ATOM 443 N ASN A 53 6.166 -0.667 9.839 1.00 4.51 N ATOM 444 CA ASN A 53 7.172 0.380 9.986 1.00 45.44 C ATOM 445 C ASN A 53 8.109 0.075 11.151 1.00 74.42 C ATOM 446 O ASN A 53 7.666 -0.113 12.284 1.00 53.12 O ATOM 447 CB ASN A 53 6.499 1.737 10.200 1.00 72.22 C ATOM 448 CG ASN A 53 7.447 2.768 10.780 1.00 64.23 C ATOM 449 OD1 ASN A 53 7.458 3.009 11.986 1.00 3.44 O ATOM 450 ND2 ASN A 53 8.251 3.383 9.919 1.00 11.00 N ATOM 0 H ASN A 53 5.482 -0.705 10.595 1.00 4.51 H new ATOM 0 HA ASN A 53 7.760 0.415 9.069 1.00 45.44 H new ATOM 0 HB2 ASN A 53 6.109 2.100 9.249 1.00 72.22 H new ATOM 0 HB3 ASN A 53 5.646 1.615 10.868 1.00 72.22 H new ATOM 0 HD21 ASN A 53 8.911 4.086 10.251 1.00 11.00 H new ATOM 0 HD22 ASN A 53 8.208 3.152 8.926 1.00 11.00 H new ATOM 457 N ASP A 54 9.405 0.028 10.863 1.00 14.45 N ATOM 458 CA ASP A 54 10.405 -0.253 11.888 1.00 51.12 C ATOM 459 C ASP A 54 11.103 1.029 12.331 1.00 15.30 C ATOM 460 O ASP A 54 12.296 1.027 12.629 1.00 65.30 O ATOM 461 CB ASP A 54 11.436 -1.254 11.363 1.00 15.11 C ATOM 462 CG ASP A 54 11.650 -2.415 12.314 1.00 61.24 C ATOM 463 OD1 ASP A 54 10.877 -3.394 12.240 1.00 42.45 O ATOM 464 OD2 ASP A 54 12.592 -2.346 13.130 1.00 70.50 O ATOM 0 H ASP A 54 9.788 0.181 9.930 1.00 14.45 H new ATOM 0 HA ASP A 54 9.896 -0.685 12.750 1.00 51.12 H new ATOM 0 HB2 ASP A 54 11.108 -1.636 10.396 1.00 15.11 H new ATOM 0 HB3 ASP A 54 12.384 -0.742 11.199 1.00 15.11 H new ATOM 469 N SER A 55 10.348 2.124 12.373 1.00 71.41 N ATOM 470 CA SER A 55 10.895 3.414 12.775 1.00 21.33 C ATOM 471 C SER A 55 11.738 3.276 14.040 1.00 33.14 C ATOM 472 O SER A 55 11.622 2.293 14.772 1.00 0.44 O ATOM 473 CB SER A 55 9.766 4.420 13.008 1.00 22.22 C ATOM 474 OG SER A 55 10.257 5.608 13.603 1.00 11.20 O ATOM 0 H SER A 55 9.357 2.142 12.134 1.00 71.41 H new ATOM 0 HA SER A 55 11.535 3.777 11.970 1.00 21.33 H new ATOM 0 HB2 SER A 55 9.284 4.657 12.059 1.00 22.22 H new ATOM 0 HB3 SER A 55 9.005 3.976 13.650 1.00 22.22 H new ATOM 0 HG SER A 55 9.517 6.235 13.740 1.00 11.20 H new ATOM 734 N THR A 75 15.524 -0.367 3.298 1.00 0.32 N ATOM 735 CA THR A 75 14.228 0.145 3.727 1.00 73.15 C ATOM 736 C THR A 75 13.774 -0.519 5.022 1.00 64.34 C ATOM 737 O THR A 75 14.148 -1.657 5.311 1.00 51.11 O ATOM 738 CB THR A 75 13.152 -0.075 2.646 1.00 71.32 C ATOM 739 OG1 THR A 75 12.529 -1.351 2.828 1.00 53.02 O ATOM 740 CG2 THR A 75 13.760 0.004 1.254 1.00 72.12 C ATOM 0 HA THR A 75 14.351 1.215 3.895 1.00 73.15 H new ATOM 0 HB THR A 75 12.404 0.712 2.744 1.00 71.32 H new ATOM 0 HG1 THR A 75 11.569 -1.227 2.982 1.00 53.02 H new ATOM 0 HG21 THR A 75 12.982 -0.154 0.507 1.00 72.12 H new ATOM 0 HG22 THR A 75 14.208 0.987 1.108 1.00 72.12 H new ATOM 0 HG23 THR A 75 14.526 -0.764 1.148 1.00 72.12 H new ATOM 748 N HIS A 76 12.967 0.197 5.797 1.00 11.14 N ATOM 749 CA HIS A 76 12.461 -0.324 7.062 1.00 23.41 C ATOM 750 C HIS A 76 10.937 -0.379 7.057 1.00 42.01 C ATOM 751 O HIS A 76 10.329 -1.102 7.845 1.00 33.41 O ATOM 752 CB HIS A 76 12.949 0.539 8.226 1.00 43.03 C ATOM 753 CG HIS A 76 12.197 1.826 8.373 1.00 53.24 C ATOM 754 ND1 HIS A 76 11.926 2.404 9.595 1.00 71.31 N ATOM 755 CD2 HIS A 76 11.658 2.647 7.441 1.00 53.50 C ATOM 756 CE1 HIS A 76 11.252 3.525 9.409 1.00 33.14 C ATOM 757 NE2 HIS A 76 11.077 3.696 8.111 1.00 34.43 N ATOM 0 H HIS A 76 12.649 1.140 5.572 1.00 11.14 H new ATOM 0 HA HIS A 76 12.842 -1.337 7.187 1.00 23.41 H new ATOM 0 HB2 HIS A 76 12.863 -0.031 9.151 1.00 43.03 H new ATOM 0 HB3 HIS A 76 14.007 0.760 8.085 1.00 43.03 H new ATOM 0 HD1 HIS A 76 12.203 2.025 10.501 1.00 71.31 H new ATOM 0 HD2 HIS A 76 11.681 2.504 6.371 1.00 53.50 H new ATOM 0 HE1 HIS A 76 10.903 4.189 10.186 1.00 33.14 H new ATOM 765 N PHE A 77 10.325 0.392 6.164 1.00 50.14 N ATOM 766 CA PHE A 77 8.872 0.433 6.056 1.00 15.54 C ATOM 767 C PHE A 77 8.411 -0.076 4.694 1.00 44.15 C ATOM 768 O PHE A 77 8.995 0.262 3.664 1.00 43.14 O ATOM 769 CB PHE A 77 8.363 1.859 6.279 1.00 12.43 C ATOM 770 CG PHE A 77 7.159 2.203 5.450 1.00 70.14 C ATOM 771 CD1 PHE A 77 5.945 1.572 5.671 1.00 3.23 C ATOM 772 CD2 PHE A 77 7.241 3.157 4.447 1.00 35.24 C ATOM 773 CE1 PHE A 77 4.836 1.886 4.909 1.00 24.11 C ATOM 774 CE2 PHE A 77 6.135 3.474 3.682 1.00 3.30 C ATOM 775 CZ PHE A 77 4.931 2.838 3.914 1.00 44.40 C ATOM 0 H PHE A 77 10.814 0.997 5.504 1.00 50.14 H new ATOM 0 HA PHE A 77 8.458 -0.219 6.826 1.00 15.54 H new ATOM 0 HB2 PHE A 77 8.117 1.988 7.333 1.00 12.43 H new ATOM 0 HB3 PHE A 77 9.164 2.562 6.051 1.00 12.43 H new ATOM 0 HD1 PHE A 77 5.865 0.826 6.448 1.00 3.23 H new ATOM 0 HD2 PHE A 77 8.180 3.658 4.262 1.00 35.24 H new ATOM 0 HE1 PHE A 77 3.896 1.387 5.092 1.00 24.11 H new ATOM 0 HE2 PHE A 77 6.212 4.218 2.903 1.00 3.30 H new ATOM 0 HZ PHE A 77 4.065 3.085 3.318 1.00 44.40 H new ATOM 785 N ARG A 78 7.362 -0.891 4.697 1.00 30.00 N ATOM 786 CA ARG A 78 6.824 -1.448 3.462 1.00 32.12 C ATOM 787 C ARG A 78 5.301 -1.526 3.519 1.00 63.45 C ATOM 788 O ARG A 78 4.726 -1.914 4.536 1.00 75.41 O ATOM 789 CB ARG A 78 7.407 -2.840 3.209 1.00 63.12 C ATOM 790 CG ARG A 78 6.572 -3.966 3.797 1.00 51.03 C ATOM 791 CD ARG A 78 7.399 -5.225 4.000 1.00 25.21 C ATOM 792 NE ARG A 78 7.506 -6.015 2.776 1.00 22.01 N ATOM 793 CZ ARG A 78 8.427 -6.952 2.584 1.00 61.04 C ATOM 794 NH1 ARG A 78 9.317 -7.216 3.530 1.00 14.44 N ATOM 795 NH2 ARG A 78 8.460 -7.627 1.442 1.00 32.24 N ATOM 0 H ARG A 78 6.868 -1.180 5.541 1.00 30.00 H new ATOM 0 HA ARG A 78 7.107 -0.788 2.642 1.00 32.12 H new ATOM 0 HB2 ARG A 78 7.504 -2.994 2.134 1.00 63.12 H new ATOM 0 HB3 ARG A 78 8.411 -2.886 3.630 1.00 63.12 H new ATOM 0 HG2 ARG A 78 6.151 -3.648 4.751 1.00 51.03 H new ATOM 0 HG3 ARG A 78 5.734 -4.183 3.135 1.00 51.03 H new ATOM 0 HD2 ARG A 78 8.397 -4.951 4.343 1.00 25.21 H new ATOM 0 HD3 ARG A 78 6.948 -5.832 4.785 1.00 25.21 H new ATOM 0 HE ARG A 78 6.836 -5.837 2.028 1.00 22.01 H new ATOM 0 HH11 ARG A 78 9.296 -6.699 4.409 1.00 14.44 H new ATOM 0 HH12 ARG A 78 10.023 -7.936 3.379 1.00 14.44 H new ATOM 0 HH21 ARG A 78 7.778 -7.426 0.711 1.00 32.24 H new ATOM 0 HH22 ARG A 78 9.168 -8.347 1.295 1.00 32.24 H new ATOM 809 N LEU A 79 4.654 -1.154 2.419 1.00 3.41 N ATOM 810 CA LEU A 79 3.197 -1.180 2.343 1.00 31.00 C ATOM 811 C LEU A 79 2.729 -2.033 1.169 1.00 23.12 C ATOM 812 O LEU A 79 3.030 -1.735 0.014 1.00 50.51 O ATOM 813 CB LEU A 79 2.648 0.241 2.207 1.00 42.13 C ATOM 814 CG LEU A 79 1.125 0.377 2.231 1.00 63.14 C ATOM 815 CD1 LEU A 79 0.536 0.025 0.873 1.00 21.12 C ATOM 816 CD2 LEU A 79 0.528 -0.504 3.318 1.00 35.25 C ATOM 0 H LEU A 79 5.115 -0.831 1.568 1.00 3.41 H new ATOM 0 HA LEU A 79 2.817 -1.622 3.264 1.00 31.00 H new ATOM 0 HB2 LEU A 79 3.060 0.847 3.014 1.00 42.13 H new ATOM 0 HB3 LEU A 79 3.016 0.663 1.272 1.00 42.13 H new ATOM 0 HG LEU A 79 0.875 1.414 2.454 1.00 63.14 H new ATOM 0 HD11 LEU A 79 -0.549 0.127 0.909 1.00 21.12 H new ATOM 0 HD12 LEU A 79 0.939 0.698 0.116 1.00 21.12 H new ATOM 0 HD13 LEU A 79 0.795 -1.003 0.619 1.00 21.12 H new ATOM 0 HD21 LEU A 79 -0.556 -0.394 3.320 1.00 35.25 H new ATOM 0 HD22 LEU A 79 0.787 -1.545 3.126 1.00 35.25 H new ATOM 0 HD23 LEU A 79 0.925 -0.205 4.288 1.00 35.25 H new ATOM 828 N GLU A 80 1.989 -3.095 1.473 1.00 74.11 N ATOM 829 CA GLU A 80 1.478 -3.990 0.442 1.00 63.23 C ATOM 830 C GLU A 80 0.017 -4.347 0.705 1.00 44.41 C ATOM 831 O GLU A 80 -0.348 -4.732 1.815 1.00 35.04 O ATOM 832 CB GLU A 80 2.322 -5.264 0.377 1.00 31.45 C ATOM 833 CG GLU A 80 1.678 -6.380 -0.429 1.00 23.41 C ATOM 834 CD GLU A 80 0.733 -7.229 0.399 1.00 15.21 C ATOM 835 OE1 GLU A 80 1.220 -8.011 1.242 1.00 52.23 O ATOM 836 OE2 GLU A 80 -0.495 -7.109 0.204 1.00 31.22 O ATOM 0 H GLU A 80 1.730 -3.356 2.424 1.00 74.11 H new ATOM 0 HA GLU A 80 1.540 -3.472 -0.515 1.00 63.23 H new ATOM 0 HB2 GLU A 80 3.292 -5.025 -0.059 1.00 31.45 H new ATOM 0 HB3 GLU A 80 2.507 -5.619 1.391 1.00 31.45 H new ATOM 0 HG2 GLU A 80 1.132 -5.948 -1.268 1.00 23.41 H new ATOM 0 HG3 GLU A 80 2.457 -7.016 -0.849 1.00 23.41 H new ATOM 843 N VAL A 81 -0.813 -4.214 -0.324 1.00 41.24 N ATOM 844 CA VAL A 81 -2.233 -4.522 -0.205 1.00 42.32 C ATOM 845 C VAL A 81 -2.640 -5.620 -1.181 1.00 31.41 C ATOM 846 O VAL A 81 -2.192 -5.647 -2.327 1.00 4.13 O ATOM 847 CB VAL A 81 -3.101 -3.275 -0.462 1.00 22.21 C ATOM 848 CG1 VAL A 81 -2.533 -2.068 0.270 1.00 65.41 C ATOM 849 CG2 VAL A 81 -3.211 -3.001 -1.953 1.00 73.54 C ATOM 0 H VAL A 81 -0.527 -3.895 -1.250 1.00 41.24 H new ATOM 0 HA VAL A 81 -2.398 -4.867 0.816 1.00 42.32 H new ATOM 0 HB VAL A 81 -4.102 -3.465 -0.076 1.00 22.21 H new ATOM 0 HG11 VAL A 81 -3.159 -1.197 0.076 1.00 65.41 H new ATOM 0 HG12 VAL A 81 -2.512 -2.269 1.341 1.00 65.41 H new ATOM 0 HG13 VAL A 81 -1.520 -1.872 -0.082 1.00 65.41 H new ATOM 0 HG21 VAL A 81 -3.827 -2.117 -2.116 1.00 73.54 H new ATOM 0 HG22 VAL A 81 -2.217 -2.831 -2.366 1.00 73.54 H new ATOM 0 HG23 VAL A 81 -3.668 -3.858 -2.448 1.00 73.54 H new ATOM 859 N THR A 82 -3.496 -6.527 -0.719 1.00 13.33 N ATOM 860 CA THR A 82 -3.965 -7.629 -1.549 1.00 42.12 C ATOM 861 C THR A 82 -5.482 -7.601 -1.697 1.00 4.01 C ATOM 862 O THR A 82 -6.212 -7.742 -0.716 1.00 11.41 O ATOM 863 CB THR A 82 -3.543 -8.991 -0.966 1.00 5.55 C ATOM 864 OG1 THR A 82 -2.121 -9.032 -0.797 1.00 64.01 O ATOM 865 CG2 THR A 82 -3.983 -10.129 -1.874 1.00 53.45 C ATOM 0 H THR A 82 -3.878 -6.519 0.227 1.00 13.33 H new ATOM 0 HA THR A 82 -3.505 -7.503 -2.529 1.00 42.12 H new ATOM 0 HB THR A 82 -4.028 -9.112 0.003 1.00 5.55 H new ATOM 0 HG1 THR A 82 -1.828 -8.242 -0.297 1.00 64.01 H new ATOM 0 HG21 THR A 82 -3.674 -11.080 -1.441 1.00 53.45 H new ATOM 0 HG22 THR A 82 -5.068 -10.113 -1.978 1.00 53.45 H new ATOM 0 HG23 THR A 82 -3.523 -10.010 -2.855 1.00 53.45 H new ATOM 873 N SER A 83 -5.949 -7.417 -2.927 1.00 62.00 N ATOM 874 CA SER A 83 -7.380 -7.367 -3.202 1.00 30.12 C ATOM 875 C SER A 83 -7.801 -8.527 -4.098 1.00 72.33 C ATOM 876 O SER A 83 -7.536 -8.525 -5.301 1.00 74.14 O ATOM 877 CB SER A 83 -7.747 -6.037 -3.863 1.00 53.21 C ATOM 878 OG SER A 83 -6.727 -5.072 -3.670 1.00 22.31 O ATOM 0 H SER A 83 -5.357 -7.300 -3.750 1.00 62.00 H new ATOM 0 HA SER A 83 -7.911 -7.452 -2.254 1.00 30.12 H new ATOM 0 HB2 SER A 83 -7.909 -6.190 -4.930 1.00 53.21 H new ATOM 0 HB3 SER A 83 -8.685 -5.668 -3.448 1.00 53.21 H new ATOM 0 HG SER A 83 -6.985 -4.232 -4.103 1.00 22.31 H new ATOM 884 N ASP A 84 -8.460 -9.516 -3.505 1.00 32.10 N ATOM 885 CA ASP A 84 -8.921 -10.683 -4.248 1.00 23.32 C ATOM 886 C ASP A 84 -7.745 -11.564 -4.659 1.00 71.25 C ATOM 887 O ASP A 84 -7.914 -12.542 -5.387 1.00 53.41 O ATOM 888 CB ASP A 84 -9.705 -10.247 -5.487 1.00 35.44 C ATOM 889 CG ASP A 84 -10.539 -9.006 -5.238 1.00 22.14 C ATOM 890 OD1 ASP A 84 -11.370 -9.027 -4.307 1.00 74.11 O ATOM 891 OD2 ASP A 84 -10.359 -8.013 -5.974 1.00 12.13 O ATOM 0 H ASP A 84 -8.687 -9.533 -2.511 1.00 32.10 H new ATOM 0 HA ASP A 84 -9.576 -11.263 -3.598 1.00 23.32 H new ATOM 0 HB2 ASP A 84 -9.010 -10.056 -6.304 1.00 35.44 H new ATOM 0 HB3 ASP A 84 -10.356 -11.061 -5.806 1.00 35.44 H new ATOM 896 N ALA A 85 -6.554 -11.210 -4.188 1.00 65.24 N ATOM 897 CA ALA A 85 -5.350 -11.969 -4.506 1.00 71.01 C ATOM 898 C ALA A 85 -5.269 -12.270 -5.999 1.00 0.42 C ATOM 899 O ALA A 85 -5.635 -13.356 -6.444 1.00 74.20 O ATOM 900 CB ALA A 85 -5.313 -13.261 -3.703 1.00 13.13 C ATOM 0 H ALA A 85 -6.397 -10.403 -3.585 1.00 65.24 H new ATOM 0 HA ALA A 85 -4.486 -11.362 -4.237 1.00 71.01 H new ATOM 0 HB1 ALA A 85 -4.409 -13.817 -3.950 1.00 13.13 H new ATOM 0 HB2 ALA A 85 -5.316 -13.028 -2.638 1.00 13.13 H new ATOM 0 HB3 ALA A 85 -6.188 -13.865 -3.944 1.00 13.13 H new ATOM 906 N PHE A 86 -4.786 -11.299 -6.767 1.00 42.51 N ATOM 907 CA PHE A 86 -4.658 -11.459 -8.211 1.00 12.21 C ATOM 908 C PHE A 86 -4.137 -10.178 -8.857 1.00 12.04 C ATOM 909 O PHE A 86 -4.911 -9.297 -9.231 1.00 30.51 O ATOM 910 CB PHE A 86 -6.007 -11.839 -8.825 1.00 33.20 C ATOM 911 CG PHE A 86 -6.009 -13.192 -9.477 1.00 23.32 C ATOM 912 CD1 PHE A 86 -5.183 -13.456 -10.558 1.00 52.44 C ATOM 913 CD2 PHE A 86 -6.835 -14.201 -9.008 1.00 62.42 C ATOM 914 CE1 PHE A 86 -5.183 -14.699 -11.160 1.00 63.43 C ATOM 915 CE2 PHE A 86 -6.839 -15.448 -9.607 1.00 4.42 C ATOM 916 CZ PHE A 86 -6.011 -15.697 -10.683 1.00 71.31 C ATOM 0 H PHE A 86 -4.477 -10.393 -6.414 1.00 42.51 H new ATOM 0 HA PHE A 86 -3.941 -12.258 -8.400 1.00 12.21 H new ATOM 0 HB2 PHE A 86 -6.770 -11.818 -8.047 1.00 33.20 H new ATOM 0 HB3 PHE A 86 -6.285 -11.088 -9.564 1.00 33.20 H new ATOM 0 HD1 PHE A 86 -4.532 -12.681 -10.934 1.00 52.44 H new ATOM 0 HD2 PHE A 86 -7.483 -14.012 -8.165 1.00 62.42 H new ATOM 0 HE1 PHE A 86 -4.536 -14.891 -12.003 1.00 63.43 H new ATOM 0 HE2 PHE A 86 -7.489 -16.225 -9.233 1.00 4.42 H new ATOM 0 HZ PHE A 86 -6.010 -16.670 -11.151 1.00 71.31 H new ATOM 926 N LYS A 87 -2.818 -10.081 -8.982 1.00 42.44 N ATOM 927 CA LYS A 87 -2.190 -8.910 -9.582 1.00 12.42 C ATOM 928 C LYS A 87 -2.565 -8.785 -11.055 1.00 32.40 C ATOM 929 O LYS A 87 -2.358 -9.712 -11.838 1.00 65.13 O ATOM 930 CB LYS A 87 -0.669 -8.990 -9.437 1.00 4.34 C ATOM 931 CG LYS A 87 -0.034 -7.695 -8.961 1.00 43.02 C ATOM 932 CD LYS A 87 -0.405 -6.529 -9.861 1.00 54.30 C ATOM 933 CE LYS A 87 0.821 -5.726 -10.269 1.00 3.32 C ATOM 934 NZ LYS A 87 1.290 -6.085 -11.635 1.00 43.45 N ATOM 0 H LYS A 87 -2.163 -10.800 -8.675 1.00 42.44 H new ATOM 0 HA LYS A 87 -2.553 -8.026 -9.057 1.00 12.42 H new ATOM 0 HB2 LYS A 87 -0.421 -9.786 -8.735 1.00 4.34 H new ATOM 0 HB3 LYS A 87 -0.235 -9.266 -10.398 1.00 4.34 H new ATOM 0 HG2 LYS A 87 -0.355 -7.485 -7.941 1.00 43.02 H new ATOM 0 HG3 LYS A 87 1.050 -7.807 -8.938 1.00 43.02 H new ATOM 0 HD2 LYS A 87 -0.910 -6.902 -10.752 1.00 54.30 H new ATOM 0 HD3 LYS A 87 -1.111 -5.879 -9.344 1.00 54.30 H new ATOM 0 HE2 LYS A 87 0.586 -4.662 -10.234 1.00 3.32 H new ATOM 0 HE3 LYS A 87 1.624 -5.899 -9.552 1.00 3.32 H new ATOM 0 HZ1 LYS A 87 2.127 -5.516 -11.875 1.00 43.45 H new ATOM 0 HZ2 LYS A 87 1.538 -7.095 -11.663 1.00 43.45 H new ATOM 0 HZ3 LYS A 87 0.533 -5.896 -12.323 1.00 43.45 H new ATOM 948 N GLY A 88 -3.117 -7.634 -11.426 1.00 73.22 N ATOM 949 CA GLY A 88 -3.510 -7.410 -12.805 1.00 32.32 C ATOM 950 C GLY A 88 -3.425 -5.951 -13.203 1.00 2.32 C ATOM 951 O GLY A 88 -2.672 -5.589 -14.109 1.00 34.53 O ATOM 0 H GLY A 88 -3.299 -6.853 -10.796 1.00 73.22 H new ATOM 0 HA2 GLY A 88 -2.871 -8.000 -13.462 1.00 32.32 H new ATOM 0 HA3 GLY A 88 -4.531 -7.764 -12.951 1.00 32.32 H new ATOM 955 N LEU A 89 -4.198 -5.108 -12.527 1.00 32.42 N ATOM 956 CA LEU A 89 -4.208 -3.679 -12.816 1.00 2.23 C ATOM 957 C LEU A 89 -2.969 -2.999 -12.242 1.00 52.11 C ATOM 958 O LEU A 89 -2.321 -3.525 -11.336 1.00 51.15 O ATOM 959 CB LEU A 89 -5.470 -3.032 -12.242 1.00 12.40 C ATOM 960 CG LEU A 89 -6.744 -3.195 -13.072 1.00 42.23 C ATOM 961 CD1 LEU A 89 -7.958 -3.336 -12.166 1.00 42.22 C ATOM 962 CD2 LEU A 89 -6.918 -2.017 -14.020 1.00 4.54 C ATOM 0 H LEU A 89 -4.826 -5.390 -11.775 1.00 32.42 H new ATOM 0 HA LEU A 89 -4.201 -3.552 -13.899 1.00 2.23 H new ATOM 0 HB2 LEU A 89 -5.650 -3.449 -11.251 1.00 12.40 H new ATOM 0 HB3 LEU A 89 -5.280 -1.967 -12.110 1.00 12.40 H new ATOM 0 HG LEU A 89 -6.653 -4.104 -13.667 1.00 42.23 H new ATOM 0 HD11 LEU A 89 -8.855 -3.451 -12.775 1.00 42.22 H new ATOM 0 HD12 LEU A 89 -7.837 -4.212 -11.529 1.00 42.22 H new ATOM 0 HD13 LEU A 89 -8.053 -2.446 -11.544 1.00 42.22 H new ATOM 0 HD21 LEU A 89 -7.830 -2.150 -14.602 1.00 4.54 H new ATOM 0 HD22 LEU A 89 -6.987 -1.094 -13.444 1.00 4.54 H new ATOM 0 HD23 LEU A 89 -6.062 -1.962 -14.693 1.00 4.54 H new ATOM 974 N THR A 90 -2.645 -1.824 -12.774 1.00 14.21 N ATOM 975 CA THR A 90 -1.485 -1.071 -12.314 1.00 54.32 C ATOM 976 C THR A 90 -1.491 -0.922 -10.797 1.00 71.23 C ATOM 977 O THR A 90 -2.356 -0.250 -10.232 1.00 62.53 O ATOM 978 CB THR A 90 -1.435 0.329 -12.955 1.00 64.02 C ATOM 979 OG1 THR A 90 -2.460 1.160 -12.400 1.00 71.04 O ATOM 980 CG2 THR A 90 -1.609 0.240 -14.464 1.00 31.11 C ATOM 0 H THR A 90 -3.170 -1.374 -13.524 1.00 14.21 H new ATOM 0 HA THR A 90 -0.602 -1.634 -12.617 1.00 54.32 H new ATOM 0 HB THR A 90 -0.459 0.766 -12.743 1.00 64.02 H new ATOM 0 HG1 THR A 90 -2.817 0.741 -11.589 1.00 71.04 H new ATOM 0 HG21 THR A 90 -1.570 1.241 -14.894 1.00 31.11 H new ATOM 0 HG22 THR A 90 -0.810 -0.368 -14.887 1.00 31.11 H new ATOM 0 HG23 THR A 90 -2.572 -0.216 -14.693 1.00 31.11 H new ATOM 988 N LEU A 91 -0.522 -1.552 -10.142 1.00 51.20 N ATOM 989 CA LEU A 91 -0.415 -1.489 -8.689 1.00 51.31 C ATOM 990 C LEU A 91 -0.282 -0.046 -8.215 1.00 0.23 C ATOM 991 O LEU A 91 -0.709 0.298 -7.112 1.00 52.41 O ATOM 992 CB LEU A 91 0.786 -2.308 -8.210 1.00 55.30 C ATOM 993 CG LEU A 91 2.161 -1.689 -8.459 1.00 24.53 C ATOM 994 CD1 LEU A 91 3.202 -2.317 -7.545 1.00 13.12 C ATOM 995 CD2 LEU A 91 2.563 -1.852 -9.918 1.00 30.01 C ATOM 0 H LEU A 91 0.201 -2.112 -10.594 1.00 51.20 H new ATOM 0 HA LEU A 91 -1.326 -1.909 -8.264 1.00 51.31 H new ATOM 0 HB2 LEU A 91 0.677 -2.484 -7.140 1.00 55.30 H new ATOM 0 HB3 LEU A 91 0.754 -3.282 -8.698 1.00 55.30 H new ATOM 0 HG LEU A 91 2.105 -0.624 -8.235 1.00 24.53 H new ATOM 0 HD11 LEU A 91 4.175 -1.864 -7.736 1.00 13.12 H new ATOM 0 HD12 LEU A 91 2.922 -2.149 -6.505 1.00 13.12 H new ATOM 0 HD13 LEU A 91 3.256 -3.388 -7.738 1.00 13.12 H new ATOM 0 HD21 LEU A 91 3.545 -1.405 -10.077 1.00 30.01 H new ATOM 0 HD22 LEU A 91 2.602 -2.912 -10.168 1.00 30.01 H new ATOM 0 HD23 LEU A 91 1.831 -1.355 -10.555 1.00 30.01 H new ATOM 1007 N VAL A 92 0.310 0.797 -9.055 1.00 31.41 N ATOM 1008 CA VAL A 92 0.496 2.203 -8.724 1.00 4.33 C ATOM 1009 C VAL A 92 -0.841 2.887 -8.457 1.00 43.02 C ATOM 1010 O VAL A 92 -0.896 3.946 -7.832 1.00 64.13 O ATOM 1011 CB VAL A 92 1.228 2.954 -9.852 1.00 64.33 C ATOM 1012 CG1 VAL A 92 2.550 2.274 -10.176 1.00 60.44 C ATOM 1013 CG2 VAL A 92 0.348 3.045 -11.090 1.00 21.05 C ATOM 0 H VAL A 92 0.669 0.529 -9.971 1.00 31.41 H new ATOM 0 HA VAL A 92 1.105 2.237 -7.821 1.00 4.33 H new ATOM 0 HB VAL A 92 1.442 3.967 -9.511 1.00 64.33 H new ATOM 0 HG11 VAL A 92 3.053 2.819 -10.975 1.00 60.44 H new ATOM 0 HG12 VAL A 92 3.182 2.266 -9.288 1.00 60.44 H new ATOM 0 HG13 VAL A 92 2.363 1.249 -10.497 1.00 60.44 H new ATOM 0 HG21 VAL A 92 0.881 3.579 -11.877 1.00 21.05 H new ATOM 0 HG22 VAL A 92 0.101 2.041 -11.435 1.00 21.05 H new ATOM 0 HG23 VAL A 92 -0.569 3.581 -10.846 1.00 21.05 H new ATOM 1023 N LYS A 93 -1.917 2.274 -8.937 1.00 13.34 N ATOM 1024 CA LYS A 93 -3.256 2.821 -8.750 1.00 3.31 C ATOM 1025 C LYS A 93 -3.695 2.701 -7.294 1.00 44.44 C ATOM 1026 O LYS A 93 -4.150 3.673 -6.691 1.00 51.52 O ATOM 1027 CB LYS A 93 -4.256 2.098 -9.656 1.00 23.15 C ATOM 1028 CG LYS A 93 -5.706 2.432 -9.350 1.00 22.43 C ATOM 1029 CD LYS A 93 -6.453 1.225 -8.807 1.00 60.14 C ATOM 1030 CE LYS A 93 -7.394 0.638 -9.848 1.00 32.53 C ATOM 1031 NZ LYS A 93 -8.812 1.010 -9.586 1.00 63.42 N ATOM 0 H LYS A 93 -1.888 1.398 -9.459 1.00 13.34 H new ATOM 0 HA LYS A 93 -3.230 3.877 -9.017 1.00 3.31 H new ATOM 0 HB2 LYS A 93 -4.044 2.354 -10.694 1.00 23.15 H new ATOM 0 HB3 LYS A 93 -4.111 1.022 -9.557 1.00 23.15 H new ATOM 0 HG2 LYS A 93 -5.748 3.244 -8.624 1.00 22.43 H new ATOM 0 HG3 LYS A 93 -6.197 2.788 -10.255 1.00 22.43 H new ATOM 0 HD2 LYS A 93 -5.738 0.465 -8.491 1.00 60.14 H new ATOM 0 HD3 LYS A 93 -7.021 1.515 -7.923 1.00 60.14 H new ATOM 0 HE2 LYS A 93 -7.104 0.988 -10.839 1.00 32.53 H new ATOM 0 HE3 LYS A 93 -7.298 -0.448 -9.853 1.00 32.53 H new ATOM 0 HZ1 LYS A 93 -9.326 1.077 -10.488 1.00 63.42 H new ATOM 0 HZ2 LYS A 93 -9.256 0.285 -8.987 1.00 63.42 H new ATOM 0 HZ3 LYS A 93 -8.846 1.929 -9.100 1.00 63.42 H new ATOM 1045 N ARG A 94 -3.553 1.504 -6.734 1.00 61.22 N ATOM 1046 CA ARG A 94 -3.933 1.259 -5.349 1.00 33.33 C ATOM 1047 C ARG A 94 -3.047 2.051 -4.392 1.00 63.04 C ATOM 1048 O ARG A 94 -3.539 2.711 -3.476 1.00 63.12 O ATOM 1049 CB ARG A 94 -3.841 -0.235 -5.030 1.00 12.54 C ATOM 1050 CG ARG A 94 -5.110 -0.807 -4.420 1.00 34.33 C ATOM 1051 CD ARG A 94 -6.234 -0.883 -5.442 1.00 45.21 C ATOM 1052 NE ARG A 94 -7.550 -0.878 -4.810 1.00 62.51 N ATOM 1053 CZ ARG A 94 -8.691 -0.897 -5.490 1.00 32.33 C ATOM 1054 NH1 ARG A 94 -8.677 -0.921 -6.815 1.00 33.54 N ATOM 1055 NH2 ARG A 94 -9.850 -0.892 -4.843 1.00 0.01 N ATOM 0 H ARG A 94 -3.177 0.689 -7.219 1.00 61.22 H new ATOM 0 HA ARG A 94 -4.963 1.589 -5.218 1.00 33.33 H new ATOM 0 HB2 ARG A 94 -3.611 -0.780 -5.946 1.00 12.54 H new ATOM 0 HB3 ARG A 94 -3.011 -0.401 -4.343 1.00 12.54 H new ATOM 0 HG2 ARG A 94 -4.908 -1.803 -4.025 1.00 34.33 H new ATOM 0 HG3 ARG A 94 -5.422 -0.187 -3.579 1.00 34.33 H new ATOM 0 HD2 ARG A 94 -6.158 -0.039 -6.128 1.00 45.21 H new ATOM 0 HD3 ARG A 94 -6.122 -1.789 -6.038 1.00 45.21 H new ATOM 0 HE ARG A 94 -7.596 -0.859 -3.791 1.00 62.51 H new ATOM 0 HH11 ARG A 94 -7.788 -0.925 -7.316 1.00 33.54 H new ATOM 0 HH12 ARG A 94 -9.555 -0.936 -7.334 1.00 33.54 H new ATOM 0 HH21 ARG A 94 -9.865 -0.874 -3.823 1.00 0.01 H new ATOM 0 HH22 ARG A 94 -10.726 -0.907 -5.366 1.00 0.01 H new ATOM 1069 N HIS A 95 -1.738 1.980 -4.612 1.00 12.33 N ATOM 1070 CA HIS A 95 -0.782 2.691 -3.769 1.00 61.14 C ATOM 1071 C HIS A 95 -1.025 4.196 -3.823 1.00 45.22 C ATOM 1072 O HIS A 95 -0.918 4.888 -2.811 1.00 65.34 O ATOM 1073 CB HIS A 95 0.648 2.376 -4.207 1.00 44.53 C ATOM 1074 CG HIS A 95 1.614 3.492 -3.945 1.00 73.30 C ATOM 1075 ND1 HIS A 95 1.744 4.100 -2.715 1.00 24.52 N ATOM 1076 CD2 HIS A 95 2.499 4.106 -4.764 1.00 4.14 C ATOM 1077 CE1 HIS A 95 2.668 5.042 -2.787 1.00 53.45 C ATOM 1078 NE2 HIS A 95 3.141 5.066 -4.020 1.00 3.23 N ATOM 0 H HIS A 95 -1.315 1.438 -5.366 1.00 12.33 H new ATOM 0 HA HIS A 95 -0.921 2.356 -2.741 1.00 61.14 H new ATOM 0 HB2 HIS A 95 0.990 1.481 -3.687 1.00 44.53 H new ATOM 0 HB3 HIS A 95 0.651 2.146 -5.273 1.00 44.53 H new ATOM 0 HD2 HIS A 95 2.669 3.883 -5.807 1.00 4.14 H new ATOM 0 HE1 HIS A 95 2.983 5.683 -1.976 1.00 53.45 H new ATOM 0 HE2 HIS A 95 3.866 5.696 -4.364 1.00 3.23 H new ATOM 1086 N GLN A 96 -1.352 4.695 -5.011 1.00 5.33 N ATOM 1087 CA GLN A 96 -1.607 6.119 -5.196 1.00 42.21 C ATOM 1088 C GLN A 96 -2.914 6.530 -4.527 1.00 31.55 C ATOM 1089 O GLN A 96 -3.052 7.655 -4.045 1.00 23.12 O ATOM 1090 CB GLN A 96 -1.654 6.461 -6.687 1.00 34.14 C ATOM 1091 CG GLN A 96 -2.153 7.868 -6.972 1.00 53.31 C ATOM 1092 CD GLN A 96 -1.259 8.619 -7.939 1.00 43.23 C ATOM 1093 OE1 GLN A 96 -0.039 8.450 -7.933 1.00 73.42 O ATOM 1094 NE2 GLN A 96 -1.861 9.455 -8.776 1.00 75.12 N ATOM 0 H GLN A 96 -1.446 4.135 -5.858 1.00 5.33 H new ATOM 0 HA GLN A 96 -0.792 6.672 -4.729 1.00 42.21 H new ATOM 0 HB2 GLN A 96 -0.656 6.346 -7.109 1.00 34.14 H new ATOM 0 HB3 GLN A 96 -2.300 5.745 -7.195 1.00 34.14 H new ATOM 0 HG2 GLN A 96 -3.162 7.816 -7.381 1.00 53.31 H new ATOM 0 HG3 GLN A 96 -2.217 8.423 -6.036 1.00 53.31 H new ATOM 0 HE21 GLN A 96 -2.875 9.564 -8.747 1.00 75.12 H new ATOM 0 HE22 GLN A 96 -1.310 9.988 -9.449 1.00 75.12 H new ATOM 1103 N LEU A 97 -3.873 5.609 -4.500 1.00 5.21 N ATOM 1104 CA LEU A 97 -5.171 5.875 -3.889 1.00 11.32 C ATOM 1105 C LEU A 97 -5.018 6.216 -2.410 1.00 23.12 C ATOM 1106 O LEU A 97 -5.534 7.230 -1.940 1.00 64.32 O ATOM 1107 CB LEU A 97 -6.091 4.664 -4.052 1.00 44.30 C ATOM 1108 CG LEU A 97 -7.004 4.675 -5.278 1.00 63.45 C ATOM 1109 CD1 LEU A 97 -7.762 3.361 -5.391 1.00 41.41 C ATOM 1110 CD2 LEU A 97 -7.971 5.847 -5.213 1.00 11.12 C ATOM 0 H LEU A 97 -3.776 4.673 -4.894 1.00 5.21 H new ATOM 0 HA LEU A 97 -5.614 6.732 -4.396 1.00 11.32 H new ATOM 0 HB2 LEU A 97 -5.474 3.767 -4.092 1.00 44.30 H new ATOM 0 HB3 LEU A 97 -6.714 4.583 -3.161 1.00 44.30 H new ATOM 0 HG LEU A 97 -6.384 4.791 -6.167 1.00 63.45 H new ATOM 0 HD11 LEU A 97 -8.407 3.387 -6.269 1.00 41.41 H new ATOM 0 HD12 LEU A 97 -7.053 2.539 -5.486 1.00 41.41 H new ATOM 0 HD13 LEU A 97 -8.370 3.214 -4.499 1.00 41.41 H new ATOM 0 HD21 LEU A 97 -8.613 5.838 -6.094 1.00 11.12 H new ATOM 0 HD22 LEU A 97 -8.585 5.763 -4.316 1.00 11.12 H new ATOM 0 HD23 LEU A 97 -7.409 6.781 -5.182 1.00 11.12 H new ATOM 1122 N ILE A 98 -4.302 5.364 -1.682 1.00 54.55 N ATOM 1123 CA ILE A 98 -4.079 5.577 -0.258 1.00 44.10 C ATOM 1124 C ILE A 98 -2.899 6.515 -0.022 1.00 11.14 C ATOM 1125 O ILE A 98 -2.803 7.156 1.025 1.00 21.32 O ATOM 1126 CB ILE A 98 -3.818 4.249 0.475 1.00 30.04 C ATOM 1127 CG1 ILE A 98 -2.475 3.656 0.043 1.00 61.11 C ATOM 1128 CG2 ILE A 98 -4.948 3.266 0.208 1.00 61.53 C ATOM 1129 CD1 ILE A 98 -2.104 2.392 0.786 1.00 73.34 C ATOM 0 H ILE A 98 -3.867 4.520 -2.056 1.00 54.55 H new ATOM 0 HA ILE A 98 -4.987 6.030 0.140 1.00 44.10 H new ATOM 0 HB ILE A 98 -3.778 4.445 1.546 1.00 30.04 H new ATOM 0 HG12 ILE A 98 -2.508 3.443 -1.025 1.00 61.11 H new ATOM 0 HG13 ILE A 98 -1.693 4.400 0.195 1.00 61.11 H new ATOM 0 HG21 ILE A 98 -4.749 2.332 0.733 1.00 61.53 H new ATOM 0 HG22 ILE A 98 -5.889 3.688 0.562 1.00 61.53 H new ATOM 0 HG23 ILE A 98 -5.017 3.073 -0.863 1.00 61.53 H new ATOM 0 HD11 ILE A 98 -1.141 2.029 0.428 1.00 73.34 H new ATOM 0 HD12 ILE A 98 -2.038 2.603 1.853 1.00 73.34 H new ATOM 0 HD13 ILE A 98 -2.866 1.632 0.613 1.00 73.34 H new ATOM 1141 N TYR A 99 -2.006 6.592 -1.002 1.00 40.55 N ATOM 1142 CA TYR A 99 -0.833 7.452 -0.901 1.00 3.20 C ATOM 1143 C TYR A 99 -0.276 7.448 0.520 1.00 41.42 C ATOM 1144 O TYR A 99 -0.130 8.499 1.144 1.00 71.50 O ATOM 1145 CB TYR A 99 -1.183 8.881 -1.319 1.00 55.43 C ATOM 1146 CG TYR A 99 -2.428 9.420 -0.651 1.00 11.11 C ATOM 1147 CD1 TYR A 99 -3.685 9.202 -1.200 1.00 75.05 C ATOM 1148 CD2 TYR A 99 -2.346 10.145 0.531 1.00 11.22 C ATOM 1149 CE1 TYR A 99 -4.826 9.693 -0.592 1.00 45.15 C ATOM 1150 CE2 TYR A 99 -3.481 10.639 1.147 1.00 60.11 C ATOM 1151 CZ TYR A 99 -4.718 10.411 0.580 1.00 21.02 C ATOM 1152 OH TYR A 99 -5.851 10.900 1.189 1.00 24.00 O ATOM 0 H TYR A 99 -2.072 6.069 -1.875 1.00 40.55 H new ATOM 0 HA TYR A 99 -0.069 7.061 -1.573 1.00 3.20 H new ATOM 0 HB2 TYR A 99 -0.343 9.535 -1.085 1.00 55.43 H new ATOM 0 HB3 TYR A 99 -1.319 8.911 -2.400 1.00 55.43 H new ATOM 0 HD1 TYR A 99 -3.773 8.639 -2.118 1.00 75.05 H new ATOM 0 HD2 TYR A 99 -1.379 10.326 0.977 1.00 11.22 H new ATOM 0 HE1 TYR A 99 -5.796 9.515 -1.033 1.00 45.15 H new ATOM 0 HE2 TYR A 99 -3.400 11.200 2.066 1.00 60.11 H new ATOM 0 HH TYR A 99 -5.602 11.382 2.005 1.00 24.00 H new ATOM 1162 N GLY A 100 0.034 6.258 1.024 1.00 3.40 N ATOM 1163 CA GLY A 100 0.572 6.138 2.366 1.00 23.00 C ATOM 1164 C GLY A 100 2.087 6.088 2.381 1.00 4.20 C ATOM 1165 O GLY A 100 2.725 6.648 3.274 1.00 12.13 O ATOM 0 H GLY A 100 -0.078 5.375 0.527 1.00 3.40 H new ATOM 0 HA2 GLY A 100 0.233 6.982 2.967 1.00 23.00 H new ATOM 0 HA3 GLY A 100 0.177 5.236 2.833 1.00 23.00 H new ATOM 1169 N LEU A 101 2.665 5.416 1.393 1.00 42.35 N ATOM 1170 CA LEU A 101 4.116 5.293 1.296 1.00 54.13 C ATOM 1171 C LEU A 101 4.777 6.667 1.259 1.00 14.21 C ATOM 1172 O LEU A 101 4.164 7.653 0.847 1.00 53.22 O ATOM 1173 CB LEU A 101 4.498 4.497 0.047 1.00 55.22 C ATOM 1174 CG LEU A 101 5.870 3.822 0.076 1.00 53.14 C ATOM 1175 CD1 LEU A 101 5.726 2.335 0.359 1.00 23.53 C ATOM 1176 CD2 LEU A 101 6.601 4.047 -1.240 1.00 4.42 C ATOM 0 H LEU A 101 2.152 4.947 0.647 1.00 42.35 H new ATOM 0 HA LEU A 101 4.471 4.763 2.180 1.00 54.13 H new ATOM 0 HB2 LEU A 101 3.741 3.730 -0.116 1.00 55.22 H new ATOM 0 HB3 LEU A 101 4.463 5.167 -0.812 1.00 55.22 H new ATOM 0 HG LEU A 101 6.458 4.269 0.878 1.00 53.14 H new ATOM 0 HD11 LEU A 101 6.712 1.871 0.376 1.00 23.53 H new ATOM 0 HD12 LEU A 101 5.242 2.194 1.325 1.00 23.53 H new ATOM 0 HD13 LEU A 101 5.121 1.873 -0.421 1.00 23.53 H new ATOM 0 HD21 LEU A 101 7.576 3.560 -1.203 1.00 4.42 H new ATOM 0 HD22 LEU A 101 6.016 3.626 -2.058 1.00 4.42 H new ATOM 0 HD23 LEU A 101 6.736 5.116 -1.403 1.00 4.42 H new ATOM 1188 N LEU A 102 6.032 6.726 1.691 1.00 23.53 N ATOM 1189 CA LEU A 102 6.779 7.979 1.705 1.00 35.53 C ATOM 1190 C LEU A 102 6.155 8.973 2.680 1.00 74.44 C ATOM 1191 O LEU A 102 5.858 10.111 2.315 1.00 32.30 O ATOM 1192 CB LEU A 102 6.826 8.584 0.301 1.00 31.23 C ATOM 1193 CG LEU A 102 8.094 9.362 -0.052 1.00 73.35 C ATOM 1194 CD1 LEU A 102 9.091 8.463 -0.766 1.00 75.33 C ATOM 1195 CD2 LEU A 102 7.755 10.572 -0.910 1.00 51.13 C ATOM 0 H LEU A 102 6.554 5.920 2.036 1.00 23.53 H new ATOM 0 HA LEU A 102 7.796 7.764 2.034 1.00 35.53 H new ATOM 0 HB2 LEU A 102 6.704 7.779 -0.424 1.00 31.23 H new ATOM 0 HB3 LEU A 102 5.971 9.250 0.185 1.00 31.23 H new ATOM 0 HG LEU A 102 8.551 9.713 0.873 1.00 73.35 H new ATOM 0 HD11 LEU A 102 9.987 9.034 -1.009 1.00 75.33 H new ATOM 0 HD12 LEU A 102 9.358 7.628 -0.118 1.00 75.33 H new ATOM 0 HD13 LEU A 102 8.644 8.081 -1.684 1.00 75.33 H new ATOM 0 HD21 LEU A 102 8.669 11.114 -1.152 1.00 51.13 H new ATOM 0 HD22 LEU A 102 7.274 10.242 -1.831 1.00 51.13 H new ATOM 0 HD23 LEU A 102 7.078 11.228 -0.363 1.00 51.13 H new ATOM 1207 N SER A 103 5.960 8.536 3.920 1.00 53.55 N ATOM 1208 CA SER A 103 5.369 9.388 4.946 1.00 24.20 C ATOM 1209 C SER A 103 6.163 9.300 6.247 1.00 63.22 C ATOM 1210 O SER A 103 6.931 10.202 6.581 1.00 55.34 O ATOM 1211 CB SER A 103 3.914 8.988 5.195 1.00 61.51 C ATOM 1212 OG SER A 103 3.801 7.595 5.429 1.00 72.53 O ATOM 0 H SER A 103 6.202 7.598 4.239 1.00 53.55 H new ATOM 0 HA SER A 103 5.399 10.418 4.591 1.00 24.20 H new ATOM 0 HB2 SER A 103 3.524 9.537 6.052 1.00 61.51 H new ATOM 0 HB3 SER A 103 3.305 9.266 4.335 1.00 61.51 H new ATOM 0 HG SER A 103 3.087 7.226 4.868 1.00 72.53 H new ATOM 1218 N ASP A 104 5.971 8.206 6.976 1.00 11.40 N ATOM 1219 CA ASP A 104 6.669 7.998 8.240 1.00 54.11 C ATOM 1220 C ASP A 104 8.102 7.535 8.000 1.00 52.42 C ATOM 1221 O ASP A 104 8.990 7.791 8.812 1.00 21.43 O ATOM 1222 CB ASP A 104 5.924 6.972 9.094 1.00 32.33 C ATOM 1223 CG ASP A 104 6.550 6.795 10.464 1.00 72.31 C ATOM 1224 OD1 ASP A 104 7.682 6.273 10.535 1.00 41.23 O ATOM 1225 OD2 ASP A 104 5.907 7.177 11.465 1.00 64.34 O ATOM 0 H ASP A 104 5.338 7.450 6.714 1.00 11.40 H new ATOM 0 HA ASP A 104 6.699 8.949 8.772 1.00 54.11 H new ATOM 0 HB2 ASP A 104 4.886 7.285 9.210 1.00 32.33 H new ATOM 0 HB3 ASP A 104 5.912 6.013 8.576 1.00 32.33 H new ATOM 1230 N GLU A 105 8.319 6.853 6.880 1.00 74.22 N ATOM 1231 CA GLU A 105 9.643 6.353 6.535 1.00 4.20 C ATOM 1232 C GLU A 105 10.676 7.476 6.575 1.00 62.23 C ATOM 1233 O GLU A 105 11.843 7.251 6.896 1.00 63.21 O ATOM 1234 CB GLU A 105 9.625 5.710 5.146 1.00 4.42 C ATOM 1235 CG GLU A 105 10.162 6.615 4.050 1.00 1.42 C ATOM 1236 CD GLU A 105 9.882 6.077 2.660 1.00 32.53 C ATOM 1237 OE1 GLU A 105 8.730 5.674 2.400 1.00 35.42 O ATOM 1238 OE2 GLU A 105 10.817 6.059 1.832 1.00 41.03 O ATOM 0 H GLU A 105 7.594 6.634 6.196 1.00 74.22 H new ATOM 0 HA GLU A 105 9.922 5.600 7.272 1.00 4.20 H new ATOM 0 HB2 GLU A 105 10.215 4.794 5.171 1.00 4.42 H new ATOM 0 HB3 GLU A 105 8.602 5.424 4.901 1.00 4.42 H new ATOM 0 HG2 GLU A 105 9.715 7.604 4.149 1.00 1.42 H new ATOM 0 HG3 GLU A 105 11.238 6.737 4.179 1.00 1.42 H new ATOM 1245 N PHE A 106 10.238 8.686 6.244 1.00 44.03 N ATOM 1246 CA PHE A 106 11.123 9.845 6.240 1.00 52.02 C ATOM 1247 C PHE A 106 11.571 10.192 7.656 1.00 4.31 C ATOM 1248 O PHE A 106 12.704 10.623 7.874 1.00 0.22 O ATOM 1249 CB PHE A 106 10.421 11.048 5.605 1.00 60.31 C ATOM 1250 CG PHE A 106 11.019 11.466 4.292 1.00 5.40 C ATOM 1251 CD1 PHE A 106 10.663 10.825 3.117 1.00 33.43 C ATOM 1252 CD2 PHE A 106 11.938 12.503 4.234 1.00 32.44 C ATOM 1253 CE1 PHE A 106 11.211 11.209 1.907 1.00 30.33 C ATOM 1254 CE2 PHE A 106 12.488 12.890 3.027 1.00 5.21 C ATOM 1255 CZ PHE A 106 12.126 12.243 1.864 1.00 71.55 C ATOM 0 H PHE A 106 9.275 8.890 5.975 1.00 44.03 H new ATOM 0 HA PHE A 106 12.005 9.595 5.650 1.00 52.02 H new ATOM 0 HB2 PHE A 106 9.368 10.807 5.456 1.00 60.31 H new ATOM 0 HB3 PHE A 106 10.461 11.889 6.297 1.00 60.31 H new ATOM 0 HD1 PHE A 106 9.949 10.015 3.146 1.00 33.43 H new ATOM 0 HD2 PHE A 106 12.227 13.013 5.141 1.00 32.44 H new ATOM 0 HE1 PHE A 106 10.924 10.702 0.998 1.00 30.33 H new ATOM 0 HE2 PHE A 106 13.202 13.700 2.994 1.00 5.21 H new ATOM 0 HZ PHE A 106 12.557 12.544 0.921 1.00 71.55 H new ATOM 1265 N LYS A 107 10.673 10.003 8.617 1.00 61.32 N ATOM 1266 CA LYS A 107 10.974 10.294 10.014 1.00 11.32 C ATOM 1267 C LYS A 107 12.157 9.465 10.501 1.00 32.43 C ATOM 1268 O LYS A 107 12.834 9.834 11.460 1.00 13.22 O ATOM 1269 CB LYS A 107 9.749 10.019 10.889 1.00 61.21 C ATOM 1270 CG LYS A 107 10.012 10.189 12.375 1.00 31.20 C ATOM 1271 CD LYS A 107 8.748 10.573 13.125 1.00 23.23 C ATOM 1272 CE LYS A 107 7.671 9.507 12.985 1.00 43.11 C ATOM 1273 NZ LYS A 107 6.484 10.013 12.243 1.00 53.03 N ATOM 0 H LYS A 107 9.730 9.649 8.454 1.00 61.32 H new ATOM 0 HA LYS A 107 11.238 11.349 10.090 1.00 11.32 H new ATOM 0 HB2 LYS A 107 8.943 10.690 10.592 1.00 61.21 H new ATOM 0 HB3 LYS A 107 9.402 9.002 10.704 1.00 61.21 H new ATOM 0 HG2 LYS A 107 10.410 9.260 12.783 1.00 31.20 H new ATOM 0 HG3 LYS A 107 10.772 10.955 12.525 1.00 31.20 H new ATOM 0 HD2 LYS A 107 8.980 10.721 14.180 1.00 23.23 H new ATOM 0 HD3 LYS A 107 8.373 11.523 12.745 1.00 23.23 H new ATOM 0 HE2 LYS A 107 8.082 8.641 12.466 1.00 43.11 H new ATOM 0 HE3 LYS A 107 7.364 9.169 13.975 1.00 43.11 H new ATOM 0 HZ1 LYS A 107 5.984 9.215 11.803 1.00 53.03 H new ATOM 0 HZ2 LYS A 107 5.845 10.501 12.902 1.00 53.03 H new ATOM 0 HZ3 LYS A 107 6.793 10.677 11.505 1.00 53.03 H new ATOM 1287 N ALA A 108 12.402 8.342 9.833 1.00 73.13 N ATOM 1288 CA ALA A 108 13.505 7.462 10.195 1.00 2.21 C ATOM 1289 C ALA A 108 14.714 7.697 9.295 1.00 33.42 C ATOM 1290 O ALA A 108 15.852 7.717 9.761 1.00 64.14 O ATOM 1291 CB ALA A 108 13.065 6.007 10.123 1.00 25.03 C ATOM 0 H ALA A 108 11.850 8.021 9.038 1.00 73.13 H new ATOM 0 HA ALA A 108 13.798 7.691 11.219 1.00 2.21 H new ATOM 0 HB1 ALA A 108 13.899 5.361 10.396 1.00 25.03 H new ATOM 0 HB2 ALA A 108 12.238 5.843 10.813 1.00 25.03 H new ATOM 0 HB3 ALA A 108 12.743 5.774 9.108 1.00 25.03 H new ATOM 1297 N GLY A 109 14.457 7.873 8.002 1.00 21.20 N ATOM 1298 CA GLY A 109 15.535 8.102 7.057 1.00 40.53 C ATOM 1299 C GLY A 109 15.812 6.892 6.189 1.00 31.41 C ATOM 1300 O GLY A 109 16.888 6.774 5.600 1.00 52.11 O ATOM 0 H GLY A 109 13.523 7.861 7.593 1.00 21.20 H new ATOM 0 HA2 GLY A 109 15.283 8.951 6.422 1.00 40.53 H new ATOM 0 HA3 GLY A 109 16.441 8.370 7.602 1.00 40.53 H new ATOM 1304 N LEU A 110 14.842 5.988 6.109 1.00 22.04 N ATOM 1305 CA LEU A 110 14.988 4.777 5.308 1.00 54.44 C ATOM 1306 C LEU A 110 13.925 4.717 4.215 1.00 42.42 C ATOM 1307 O LEU A 110 12.768 5.077 4.439 1.00 60.21 O ATOM 1308 CB LEU A 110 14.891 3.537 6.198 1.00 55.11 C ATOM 1309 CG LEU A 110 15.737 3.558 7.472 1.00 11.23 C ATOM 1310 CD1 LEU A 110 17.099 4.175 7.198 1.00 30.21 C ATOM 1311 CD2 LEU A 110 15.018 4.318 8.577 1.00 12.40 C ATOM 0 H LEU A 110 13.946 6.070 6.589 1.00 22.04 H new ATOM 0 HA LEU A 110 15.970 4.800 4.835 1.00 54.44 H new ATOM 0 HB2 LEU A 110 13.848 3.398 6.481 1.00 55.11 H new ATOM 0 HB3 LEU A 110 15.180 2.667 5.608 1.00 55.11 H new ATOM 0 HG LEU A 110 15.886 2.530 7.803 1.00 11.23 H new ATOM 0 HD11 LEU A 110 17.687 4.181 8.116 1.00 30.21 H new ATOM 0 HD12 LEU A 110 17.618 3.589 6.439 1.00 30.21 H new ATOM 0 HD13 LEU A 110 16.970 5.197 6.842 1.00 30.21 H new ATOM 0 HD21 LEU A 110 15.634 4.323 9.476 1.00 12.40 H new ATOM 0 HD22 LEU A 110 14.838 5.344 8.255 1.00 12.40 H new ATOM 0 HD23 LEU A 110 14.066 3.833 8.792 1.00 12.40 H new ATOM 1323 N HIS A 111 14.325 4.259 3.033 1.00 11.40 N ATOM 1324 CA HIS A 111 13.406 4.149 1.906 1.00 55.21 C ATOM 1325 C HIS A 111 12.236 3.230 2.246 1.00 21.32 C ATOM 1326 O HIS A 111 12.039 2.862 3.404 1.00 64.21 O ATOM 1327 CB HIS A 111 14.140 3.625 0.671 1.00 22.44 C ATOM 1328 CG HIS A 111 13.826 4.385 -0.581 1.00 21.23 C ATOM 1329 ND1 HIS A 111 13.177 3.823 -1.659 1.00 54.32 N ATOM 1330 CD2 HIS A 111 14.076 5.670 -0.921 1.00 5.31 C ATOM 1331 CE1 HIS A 111 13.041 4.731 -2.610 1.00 22.42 C ATOM 1332 NE2 HIS A 111 13.579 5.860 -2.186 1.00 54.24 N ATOM 0 H HIS A 111 15.279 3.958 2.831 1.00 11.40 H new ATOM 0 HA HIS A 111 13.013 5.143 1.691 1.00 55.21 H new ATOM 0 HB2 HIS A 111 15.214 3.667 0.852 1.00 22.44 H new ATOM 0 HB3 HIS A 111 13.883 2.576 0.524 1.00 22.44 H new ATOM 0 HD2 HIS A 111 14.574 6.409 -0.311 1.00 5.31 H new ATOM 0 HE1 HIS A 111 12.570 4.576 -3.570 1.00 22.42 H new ATOM 0 HE2 HIS A 111 13.619 6.732 -2.713 1.00 54.24 H new ATOM 1340 N ALA A 112 11.464 2.863 1.229 1.00 52.12 N ATOM 1341 CA ALA A 112 10.315 1.985 1.420 1.00 55.22 C ATOM 1342 C ALA A 112 9.909 1.320 0.110 1.00 12.21 C ATOM 1343 O ALA A 112 10.273 1.782 -0.972 1.00 72.12 O ATOM 1344 CB ALA A 112 9.146 2.766 2.002 1.00 21.12 C ATOM 0 H ALA A 112 11.613 3.160 0.264 1.00 52.12 H new ATOM 0 HA ALA A 112 10.600 1.201 2.122 1.00 55.22 H new ATOM 0 HB1 ALA A 112 8.295 2.099 2.139 1.00 21.12 H new ATOM 0 HB2 ALA A 112 9.434 3.189 2.964 1.00 21.12 H new ATOM 0 HB3 ALA A 112 8.870 3.570 1.320 1.00 21.12 H new ATOM 1350 N LEU A 113 9.153 0.232 0.214 1.00 34.02 N ATOM 1351 CA LEU A 113 8.697 -0.499 -0.963 1.00 51.33 C ATOM 1352 C LEU A 113 7.182 -0.673 -0.943 1.00 13.40 C ATOM 1353 O LEU A 113 6.624 -1.230 0.002 1.00 13.43 O ATOM 1354 CB LEU A 113 9.378 -1.866 -1.035 1.00 63.24 C ATOM 1355 CG LEU A 113 9.514 -2.618 0.289 1.00 20.42 C ATOM 1356 CD1 LEU A 113 8.877 -3.995 0.187 1.00 35.25 C ATOM 1357 CD2 LEU A 113 10.977 -2.735 0.689 1.00 43.51 C ATOM 0 H LEU A 113 8.843 -0.163 1.102 1.00 34.02 H new ATOM 0 HA LEU A 113 8.966 0.080 -1.846 1.00 51.33 H new ATOM 0 HB2 LEU A 113 8.818 -2.492 -1.730 1.00 63.24 H new ATOM 0 HB3 LEU A 113 10.374 -1.732 -1.458 1.00 63.24 H new ATOM 0 HG LEU A 113 8.991 -2.053 1.061 1.00 20.42 H new ATOM 0 HD11 LEU A 113 8.983 -4.516 1.138 1.00 35.25 H new ATOM 0 HD12 LEU A 113 7.819 -3.890 -0.053 1.00 35.25 H new ATOM 0 HD13 LEU A 113 9.372 -4.568 -0.598 1.00 35.25 H new ATOM 0 HD21 LEU A 113 11.054 -3.273 1.634 1.00 43.51 H new ATOM 0 HD22 LEU A 113 11.523 -3.277 -0.083 1.00 43.51 H new ATOM 0 HD23 LEU A 113 11.404 -1.739 0.803 1.00 43.51 H new ATOM 1369 N SER A 114 6.522 -0.196 -1.994 1.00 61.12 N ATOM 1370 CA SER A 114 5.070 -0.298 -2.096 1.00 63.22 C ATOM 1371 C SER A 114 4.671 -1.255 -3.215 1.00 55.15 C ATOM 1372 O SER A 114 5.114 -1.115 -4.354 1.00 64.02 O ATOM 1373 CB SER A 114 4.457 1.081 -2.346 1.00 24.15 C ATOM 1374 OG SER A 114 4.036 1.217 -3.692 1.00 24.32 O ATOM 0 H SER A 114 6.969 0.265 -2.787 1.00 61.12 H new ATOM 0 HA SER A 114 4.690 -0.690 -1.153 1.00 63.22 H new ATOM 0 HB2 SER A 114 3.608 1.231 -1.679 1.00 24.15 H new ATOM 0 HB3 SER A 114 5.187 1.855 -2.110 1.00 24.15 H new ATOM 0 HG SER A 114 4.250 2.118 -4.012 1.00 24.32 H new ATOM 1380 N MET A 115 3.830 -2.227 -2.881 1.00 74.03 N ATOM 1381 CA MET A 115 3.368 -3.208 -3.858 1.00 11.14 C ATOM 1382 C MET A 115 1.908 -3.574 -3.611 1.00 62.12 C ATOM 1383 O MET A 115 1.561 -4.120 -2.564 1.00 20.21 O ATOM 1384 CB MET A 115 4.238 -4.465 -3.800 1.00 0.32 C ATOM 1385 CG MET A 115 4.206 -5.165 -2.451 1.00 20.01 C ATOM 1386 SD MET A 115 5.548 -6.353 -2.254 1.00 14.42 S ATOM 1387 CE MET A 115 4.746 -7.861 -2.792 1.00 24.52 C ATOM 0 H MET A 115 3.454 -2.358 -1.942 1.00 74.03 H new ATOM 0 HA MET A 115 3.450 -2.764 -4.850 1.00 11.14 H new ATOM 0 HB2 MET A 115 3.907 -5.162 -4.570 1.00 0.32 H new ATOM 0 HB3 MET A 115 5.267 -4.196 -4.036 1.00 0.32 H new ATOM 0 HG2 MET A 115 4.266 -4.420 -1.658 1.00 20.01 H new ATOM 0 HG3 MET A 115 3.251 -5.678 -2.335 1.00 20.01 H new ATOM 0 HE1 MET A 115 5.501 -8.614 -3.017 1.00 24.52 H new ATOM 0 HE2 MET A 115 4.092 -8.228 -2.001 1.00 24.52 H new ATOM 0 HE3 MET A 115 4.156 -7.660 -3.686 1.00 24.52 H new ATOM 1397 N THR A 116 1.054 -3.270 -4.584 1.00 50.22 N ATOM 1398 CA THR A 116 -0.369 -3.566 -4.473 1.00 63.34 C ATOM 1399 C THR A 116 -0.806 -4.572 -5.532 1.00 44.11 C ATOM 1400 O THR A 116 -0.468 -4.438 -6.708 1.00 73.43 O ATOM 1401 CB THR A 116 -1.221 -2.290 -4.612 1.00 44.23 C ATOM 1402 OG1 THR A 116 -1.324 -1.918 -5.991 1.00 13.05 O ATOM 1403 CG2 THR A 116 -0.612 -1.144 -3.817 1.00 13.12 C ATOM 0 H THR A 116 1.324 -2.819 -5.458 1.00 50.22 H new ATOM 0 HA THR A 116 -0.526 -3.993 -3.483 1.00 63.34 H new ATOM 0 HB THR A 116 -2.215 -2.498 -4.217 1.00 44.23 H new ATOM 0 HG1 THR A 116 -1.085 -0.973 -6.094 1.00 13.05 H new ATOM 0 HG21 THR A 116 -1.231 -0.254 -3.930 1.00 13.12 H new ATOM 0 HG22 THR A 116 -0.561 -1.419 -2.763 1.00 13.12 H new ATOM 0 HG23 THR A 116 0.392 -0.938 -4.187 1.00 13.12 H new ATOM 1411 N THR A 117 -1.559 -5.582 -5.106 1.00 50.44 N ATOM 1412 CA THR A 117 -2.042 -6.612 -6.018 1.00 62.10 C ATOM 1413 C THR A 117 -3.564 -6.691 -6.001 1.00 30.11 C ATOM 1414 O THR A 117 -4.163 -7.117 -5.013 1.00 34.22 O ATOM 1415 CB THR A 117 -1.463 -7.994 -5.661 1.00 2.14 C ATOM 1416 OG1 THR A 117 -2.079 -9.005 -6.465 1.00 35.34 O ATOM 1417 CG2 THR A 117 -1.679 -8.307 -4.188 1.00 33.11 C ATOM 0 H THR A 117 -1.847 -5.708 -4.136 1.00 50.44 H new ATOM 0 HA THR A 117 -1.707 -6.333 -7.017 1.00 62.10 H new ATOM 0 HB THR A 117 -0.391 -7.977 -5.858 1.00 2.14 H new ATOM 0 HG1 THR A 117 -1.705 -9.880 -6.233 1.00 35.34 H new ATOM 0 HG21 THR A 117 -1.262 -9.288 -3.959 1.00 33.11 H new ATOM 0 HG22 THR A 117 -1.183 -7.551 -3.579 1.00 33.11 H new ATOM 0 HG23 THR A 117 -2.747 -8.307 -3.969 1.00 33.11 H new ATOM 1425 N LYS A 118 -4.186 -6.279 -7.101 1.00 64.20 N ATOM 1426 CA LYS A 118 -5.639 -6.305 -7.214 1.00 40.10 C ATOM 1427 C LYS A 118 -6.070 -6.874 -8.562 1.00 23.44 C ATOM 1428 O LYS A 118 -5.421 -6.640 -9.583 1.00 0.01 O ATOM 1429 CB LYS A 118 -6.210 -4.896 -7.038 1.00 21.51 C ATOM 1430 CG LYS A 118 -7.725 -4.839 -7.122 1.00 71.11 C ATOM 1431 CD LYS A 118 -8.187 -4.054 -8.338 1.00 73.43 C ATOM 1432 CE LYS A 118 -9.608 -4.428 -8.736 1.00 65.05 C ATOM 1433 NZ LYS A 118 -10.620 -3.628 -7.994 1.00 73.33 N ATOM 0 H LYS A 118 -3.706 -5.923 -7.927 1.00 64.20 H new ATOM 0 HA LYS A 118 -6.028 -6.950 -6.426 1.00 40.10 H new ATOM 0 HB2 LYS A 118 -5.893 -4.503 -6.072 1.00 21.51 H new ATOM 0 HB3 LYS A 118 -5.787 -4.244 -7.802 1.00 21.51 H new ATOM 0 HG2 LYS A 118 -8.126 -5.851 -7.168 1.00 71.11 H new ATOM 0 HG3 LYS A 118 -8.123 -4.379 -6.218 1.00 71.11 H new ATOM 0 HD2 LYS A 118 -8.137 -2.986 -8.124 1.00 73.43 H new ATOM 0 HD3 LYS A 118 -7.512 -4.244 -9.173 1.00 73.43 H new ATOM 0 HE2 LYS A 118 -9.738 -4.274 -9.807 1.00 65.05 H new ATOM 0 HE3 LYS A 118 -9.772 -5.488 -8.544 1.00 65.05 H new ATOM 0 HZ1 LYS A 118 -11.575 -3.912 -8.293 1.00 73.33 H new ATOM 0 HZ2 LYS A 118 -10.513 -3.794 -6.973 1.00 73.33 H new ATOM 0 HZ3 LYS A 118 -10.480 -2.618 -8.197 1.00 73.33 H new ATOM 1447 N THR A 119 -7.168 -7.623 -8.559 1.00 54.22 N ATOM 1448 CA THR A 119 -7.685 -8.225 -9.782 1.00 21.55 C ATOM 1449 C THR A 119 -7.881 -7.177 -10.871 1.00 33.34 C ATOM 1450 O THR A 119 -8.028 -5.985 -10.600 1.00 34.43 O ATOM 1451 CB THR A 119 -9.024 -8.945 -9.530 1.00 72.11 C ATOM 1452 OG1 THR A 119 -9.849 -8.157 -8.665 1.00 61.32 O ATOM 1453 CG2 THR A 119 -8.793 -10.315 -8.911 1.00 31.02 C ATOM 0 H THR A 119 -7.716 -7.827 -7.724 1.00 54.22 H new ATOM 0 HA THR A 119 -6.945 -8.954 -10.113 1.00 21.55 H new ATOM 0 HB THR A 119 -9.527 -9.077 -10.488 1.00 72.11 H new ATOM 0 HG1 THR A 119 -9.711 -8.438 -7.736 1.00 61.32 H new ATOM 0 HG21 THR A 119 -9.752 -10.804 -8.742 1.00 31.02 H new ATOM 0 HG22 THR A 119 -8.190 -10.922 -9.586 1.00 31.02 H new ATOM 0 HG23 THR A 119 -8.271 -10.202 -7.961 1.00 31.02 H new ATOM 1461 N PRO A 120 -7.885 -7.629 -12.134 1.00 1.41 N ATOM 1462 CA PRO A 120 -8.064 -6.745 -13.290 1.00 72.42 C ATOM 1463 C PRO A 120 -9.481 -6.189 -13.381 1.00 61.33 C ATOM 1464 O PRO A 120 -10.285 -6.360 -12.465 1.00 4.41 O ATOM 1465 CB PRO A 120 -7.771 -7.658 -14.483 1.00 11.21 C ATOM 1466 CG PRO A 120 -8.072 -9.032 -13.992 1.00 3.02 C ATOM 1467 CD PRO A 120 -7.717 -9.036 -12.531 1.00 65.31 C ATOM 0 HA PRO A 120 -7.418 -5.869 -13.237 1.00 72.42 H new ATOM 0 HB2 PRO A 120 -8.392 -7.400 -15.341 1.00 11.21 H new ATOM 0 HB3 PRO A 120 -6.733 -7.571 -14.803 1.00 11.21 H new ATOM 0 HG2 PRO A 120 -9.124 -9.277 -14.139 1.00 3.02 H new ATOM 0 HG3 PRO A 120 -7.492 -9.777 -14.537 1.00 3.02 H new ATOM 0 HD2 PRO A 120 -8.371 -9.695 -11.961 1.00 65.31 H new ATOM 0 HD3 PRO A 120 -6.696 -9.380 -12.367 1.00 65.31 H new ATOM 1475 N ALA A 121 -9.781 -5.524 -14.491 1.00 52.32 N ATOM 1476 CA ALA A 121 -11.101 -4.945 -14.703 1.00 33.13 C ATOM 1477 C ALA A 121 -12.084 -5.993 -15.216 1.00 41.42 C ATOM 1478 O ALA A 121 -13.298 -5.805 -15.142 1.00 32.34 O ATOM 1479 CB ALA A 121 -11.017 -3.777 -15.674 1.00 23.02 C ATOM 0 H ALA A 121 -9.126 -5.373 -15.259 1.00 52.32 H new ATOM 0 HA ALA A 121 -11.468 -4.579 -13.744 1.00 33.13 H new ATOM 0 HB1 ALA A 121 -12.011 -3.355 -15.822 1.00 23.02 H new ATOM 0 HB2 ALA A 121 -10.355 -3.012 -15.267 1.00 23.02 H new ATOM 0 HB3 ALA A 121 -10.625 -4.126 -16.629 1.00 23.02 H new