USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 552 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 81 ASN : amide:sc= 0.233 X(o=-2.1,f=-2.4) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -1.38 X(o=-2.1,f=-2.2) USER MOD Set 1.3: A 92 SER OG : rot -83:sc= -0.916 USER MOD Set 2.1: A 52 SER OG : rot -70:sc= 1.25 USER MOD Set 2.2: A 78 TYR OH : rot 29:sc= 2.27 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 15 GLN : amide:sc= -2.71! K(o=-2.7!,f=-1.9) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 22 LYS NZ :NH3+ -123:sc=-0.00163 (180deg=-0.922) USER MOD Single : A 26 THR OG1 : rot 23:sc= 0.0967 USER MOD Single : A 27 ASN : amide:sc= -2.7 K(o=-2.7,f=-0.22) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= -0.046 (180deg=-0.331) USER MOD Single : A 30 ASN : amide:sc= -2.63 X(o=-2.6,f=-2.7) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 54 SER OG : rot 180:sc= -0.441 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.44) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.197 USER MOD Single : A 66 CYS SG : rot -131:sc= -0.667 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -49:sc= 0.168 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 11 -0.263 15.689 2.053 1.00 0.00 N ATOM 102 CA PRO A 11 -0.528 14.248 2.088 1.00 0.00 C ATOM 103 C PRO A 11 -1.802 13.874 1.338 1.00 0.00 C ATOM 104 O PRO A 11 -2.089 12.695 1.131 1.00 0.00 O ATOM 105 CB PRO A 11 -0.680 13.951 3.582 1.00 0.00 C ATOM 106 CG PRO A 11 -1.113 15.244 4.182 1.00 0.00 C ATOM 107 CD PRO A 11 -0.449 16.321 3.370 1.00 0.00 C ATOM 0 HA PRO A 11 0.264 13.676 1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.417 13.167 3.757 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.260 13.608 4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.198 15.345 4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.817 15.307 5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.070 17.214 3.303 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.502 16.626 3.807 1.00 0.00 H new ATOM 115 N SER A 12 -2.563 14.886 0.933 1.00 0.00 N ATOM 116 CA SER A 12 -3.809 14.663 0.209 1.00 0.00 C ATOM 117 C SER A 12 -3.548 14.511 -1.287 1.00 0.00 C ATOM 118 O SER A 12 -4.307 13.851 -1.996 1.00 0.00 O ATOM 119 CB SER A 12 -4.780 15.819 0.455 1.00 0.00 C ATOM 120 OG SER A 12 -4.099 17.061 0.479 1.00 0.00 O ATOM 0 H SER A 12 -2.339 15.868 1.094 1.00 0.00 H new ATOM 0 HA SER A 12 -4.255 13.739 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.540 15.832 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.299 15.667 1.401 1.00 0.00 H new ATOM 0 HG SER A 12 -4.742 17.784 0.636 1.00 0.00 H new ATOM 126 N ARG A 13 -2.470 15.128 -1.758 1.00 0.00 N ATOM 127 CA ARG A 13 -2.109 15.064 -3.169 1.00 0.00 C ATOM 128 C ARG A 13 -1.627 13.666 -3.544 1.00 0.00 C ATOM 129 O ARG A 13 -1.567 13.313 -4.722 1.00 0.00 O ATOM 130 CB ARG A 13 -1.021 16.092 -3.486 1.00 0.00 C ATOM 131 CG ARG A 13 -1.526 17.525 -3.513 1.00 0.00 C ATOM 132 CD ARG A 13 -2.030 17.912 -4.895 1.00 0.00 C ATOM 133 NE ARG A 13 -3.433 17.557 -5.085 1.00 0.00 N ATOM 134 CZ ARG A 13 -4.094 17.754 -6.220 1.00 0.00 C ATOM 135 NH1 ARG A 13 -3.481 18.301 -7.261 1.00 0.00 N ATOM 136 NH2 ARG A 13 -5.370 17.404 -6.316 1.00 0.00 N ATOM 0 H ARG A 13 -1.831 15.678 -1.184 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.998 15.293 -3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.228 16.009 -2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.578 15.853 -4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.329 17.643 -2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.724 18.200 -3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.905 18.985 -5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.425 17.416 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.933 17.134 -4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.500 18.571 -7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.991 18.451 -8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.845 16.983 -5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.876 17.556 -7.188 1.00 0.00 H new ATOM 150 N VAL A 14 -1.285 12.872 -2.534 1.00 0.00 N ATOM 151 CA VAL A 14 -0.810 11.512 -2.756 1.00 0.00 C ATOM 152 C VAL A 14 -1.908 10.636 -3.347 1.00 0.00 C ATOM 153 O VAL A 14 -3.085 10.799 -3.026 1.00 0.00 O ATOM 154 CB VAL A 14 -0.306 10.873 -1.449 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.358 9.533 -1.731 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.653 11.811 -0.732 1.00 0.00 C ATOM 0 H VAL A 14 -1.328 13.148 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 14 0.018 11.577 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.162 10.698 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.708 9.096 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.362 8.861 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.205 9.680 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.999 11.343 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.507 12.020 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.141 12.744 -0.495 1.00 0.00 H new ATOM 166 N GLN A 15 -1.515 9.706 -4.212 1.00 0.00 N ATOM 167 CA GLN A 15 -2.467 8.804 -4.848 1.00 0.00 C ATOM 168 C GLN A 15 -1.963 7.365 -4.810 1.00 0.00 C ATOM 169 O GLN A 15 -0.790 7.101 -5.074 1.00 0.00 O ATOM 170 CB GLN A 15 -2.718 9.230 -6.296 1.00 0.00 C ATOM 171 CG GLN A 15 -1.534 9.938 -6.935 1.00 0.00 C ATOM 172 CD GLN A 15 -1.758 10.239 -8.404 1.00 0.00 C ATOM 173 OE1 GLN A 15 -2.018 11.381 -8.783 1.00 0.00 O ATOM 174 NE2 GLN A 15 -1.656 9.212 -9.240 1.00 0.00 N ATOM 0 H GLN A 15 -0.544 9.558 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.404 8.857 -4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.966 8.349 -6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.585 9.890 -6.327 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.342 10.869 -6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.643 9.319 -6.826 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.439 8.282 -8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.795 9.353 -10.241 1.00 0.00 H new ATOM 183 N ALA A 16 -2.857 6.438 -4.479 1.00 0.00 N ATOM 184 CA ALA A 16 -2.502 5.026 -4.408 1.00 0.00 C ATOM 185 C ALA A 16 -3.544 4.163 -5.111 1.00 0.00 C ATOM 186 O ALA A 16 -4.717 4.162 -4.738 1.00 0.00 O ATOM 187 CB ALA A 16 -2.348 4.594 -2.957 1.00 0.00 C ATOM 0 H ALA A 16 -3.832 6.640 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.549 4.889 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.083 3.537 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.563 5.183 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.288 4.752 -2.429 1.00 0.00 H new ATOM 193 N GLN A 17 -3.108 3.430 -6.130 1.00 0.00 N ATOM 194 CA GLN A 17 -4.004 2.563 -6.886 1.00 0.00 C ATOM 195 C GLN A 17 -3.257 1.350 -7.431 1.00 0.00 C ATOM 196 O GLN A 17 -2.067 1.426 -7.735 1.00 0.00 O ATOM 197 CB GLN A 17 -4.648 3.339 -8.037 1.00 0.00 C ATOM 198 CG GLN A 17 -3.688 3.648 -9.175 1.00 0.00 C ATOM 199 CD GLN A 17 -4.386 3.742 -10.517 1.00 0.00 C ATOM 200 OE1 GLN A 17 -5.544 4.153 -10.600 1.00 0.00 O ATOM 201 NE2 GLN A 17 -3.684 3.361 -11.578 1.00 0.00 N ATOM 0 H GLN A 17 -2.140 3.419 -6.451 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.785 2.213 -6.211 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.488 2.764 -8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.054 4.274 -7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.177 4.588 -8.969 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.923 2.873 -9.221 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.727 3.027 -11.463 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.102 3.403 -12.508 1.00 0.00 H new ATOM 210 N GLY A 18 -3.965 0.230 -7.551 1.00 0.00 N ATOM 211 CA GLY A 18 -3.352 -0.983 -8.058 1.00 0.00 C ATOM 212 C GLY A 18 -3.991 -2.236 -7.493 1.00 0.00 C ATOM 213 O GLY A 18 -4.997 -2.180 -6.784 1.00 0.00 O ATOM 0 H GLY A 18 -4.951 0.142 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.429 -0.998 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.290 -0.979 -7.814 1.00 0.00 H new ATOM 217 N PRO A 19 -3.403 -3.399 -7.808 1.00 0.00 N ATOM 218 CA PRO A 19 -3.906 -4.694 -7.337 1.00 0.00 C ATOM 219 C PRO A 19 -3.702 -4.884 -5.838 1.00 0.00 C ATOM 220 O PRO A 19 -4.588 -5.372 -5.138 1.00 0.00 O ATOM 221 CB PRO A 19 -3.070 -5.706 -8.124 1.00 0.00 C ATOM 222 CG PRO A 19 -1.812 -4.981 -8.458 1.00 0.00 C ATOM 223 CD PRO A 19 -2.202 -3.541 -8.648 1.00 0.00 C ATOM 0 HA PRO A 19 -4.980 -4.796 -7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.867 -6.598 -7.531 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.589 -6.033 -9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.078 -5.084 -7.659 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.357 -5.385 -9.363 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.408 -2.865 -8.331 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.414 -3.317 -9.693 1.00 0.00 H new ATOM 231 N GLY A 20 -2.527 -4.495 -5.351 1.00 0.00 N ATOM 232 CA GLY A 20 -2.228 -4.631 -3.938 1.00 0.00 C ATOM 233 C GLY A 20 -3.206 -3.873 -3.063 1.00 0.00 C ATOM 234 O GLY A 20 -3.219 -4.040 -1.842 1.00 0.00 O ATOM 0 H GLY A 20 -1.777 -4.088 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.245 -5.686 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.218 -4.269 -3.747 1.00 0.00 H new ATOM 238 N LEU A 21 -4.028 -3.035 -3.685 1.00 0.00 N ATOM 239 CA LEU A 21 -5.014 -2.246 -2.955 1.00 0.00 C ATOM 240 C LEU A 21 -6.427 -2.750 -3.230 1.00 0.00 C ATOM 241 O LEU A 21 -7.318 -2.622 -2.390 1.00 0.00 O ATOM 242 CB LEU A 21 -4.903 -0.770 -3.342 1.00 0.00 C ATOM 243 CG LEU A 21 -3.538 -0.119 -3.118 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.515 1.287 -3.699 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.197 -0.090 -1.635 1.00 0.00 C ATOM 0 H LEU A 21 -4.031 -2.884 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.811 -2.353 -1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.162 -0.671 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.648 -0.210 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.784 -0.715 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.536 1.735 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.713 1.241 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.280 1.894 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.222 0.377 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.954 0.482 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.171 -1.109 -1.248 1.00 0.00 H new ATOM 257 N LYS A 22 -6.624 -3.327 -4.410 1.00 0.00 N ATOM 258 CA LYS A 22 -7.928 -3.855 -4.796 1.00 0.00 C ATOM 259 C LYS A 22 -8.162 -5.230 -4.180 1.00 0.00 C ATOM 260 O LYS A 22 -9.191 -5.471 -3.549 1.00 0.00 O ATOM 261 CB LYS A 22 -8.035 -3.942 -6.320 1.00 0.00 C ATOM 262 CG LYS A 22 -8.322 -2.608 -6.987 1.00 0.00 C ATOM 263 CD LYS A 22 -8.171 -2.696 -8.497 1.00 0.00 C ATOM 264 CE LYS A 22 -9.411 -3.289 -9.147 1.00 0.00 C ATOM 265 NZ LYS A 22 -9.339 -4.774 -9.227 1.00 0.00 N ATOM 0 H LYS A 22 -5.897 -3.441 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.693 -3.174 -4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.104 -4.345 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.825 -4.646 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.334 -2.287 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.642 -1.851 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.986 -1.702 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.303 -3.308 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.294 -2.998 -8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.528 -2.877 -10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.443 -5.074 -10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.420 -5.097 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.104 -5.190 -8.658 1.00 0.00 H new ATOM 279 N GLU A 23 -7.200 -6.129 -4.365 1.00 0.00 N ATOM 280 CA GLU A 23 -7.302 -7.480 -3.826 1.00 0.00 C ATOM 281 C GLU A 23 -5.933 -8.153 -3.781 1.00 0.00 C ATOM 282 O GLU A 23 -5.098 -7.945 -4.661 1.00 0.00 O ATOM 283 CB GLU A 23 -8.267 -8.317 -4.669 1.00 0.00 C ATOM 284 CG GLU A 23 -7.759 -8.602 -6.072 1.00 0.00 C ATOM 285 CD GLU A 23 -8.593 -9.642 -6.794 1.00 0.00 C ATOM 286 OE1 GLU A 23 -8.333 -10.849 -6.602 1.00 0.00 O ATOM 287 OE2 GLU A 23 -9.505 -9.250 -7.551 1.00 0.00 O ATOM 0 H GLU A 23 -6.341 -5.946 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.686 -7.410 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.454 -9.263 -4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.222 -7.797 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.759 -7.677 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.726 -8.944 -6.018 1.00 0.00 H new ATOM 294 N ALA A 24 -5.711 -8.959 -2.748 1.00 0.00 N ATOM 295 CA ALA A 24 -4.446 -9.664 -2.588 1.00 0.00 C ATOM 296 C ALA A 24 -4.674 -11.125 -2.216 1.00 0.00 C ATOM 297 O ALA A 24 -5.813 -11.563 -2.048 1.00 0.00 O ATOM 298 CB ALA A 24 -3.589 -8.978 -1.534 1.00 0.00 C ATOM 0 H ALA A 24 -6.391 -9.140 -2.010 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.921 -9.637 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.647 -9.515 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.388 -7.951 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.118 -8.975 -0.581 1.00 0.00 H new ATOM 304 N PHE A 25 -3.585 -11.876 -2.091 1.00 0.00 N ATOM 305 CA PHE A 25 -3.667 -13.290 -1.741 1.00 0.00 C ATOM 306 C PHE A 25 -2.597 -13.660 -0.718 1.00 0.00 C ATOM 307 O PHE A 25 -1.716 -12.858 -0.406 1.00 0.00 O ATOM 308 CB PHE A 25 -3.514 -14.156 -2.992 1.00 0.00 C ATOM 309 CG PHE A 25 -4.817 -14.455 -3.677 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.524 -13.450 -4.318 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.335 -15.740 -3.681 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.723 -13.722 -4.949 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.534 -16.018 -4.311 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.228 -15.008 -4.946 1.00 0.00 C ATOM 0 H PHE A 25 -2.635 -11.530 -2.227 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.646 -13.473 -1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.851 -13.651 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.033 -15.095 -2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.134 -12.443 -4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.796 -16.534 -3.186 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.265 -12.930 -5.444 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.927 -17.024 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.164 -15.223 -5.440 1.00 0.00 H new ATOM 324 N THR A 26 -2.680 -14.881 -0.199 1.00 0.00 N ATOM 325 CA THR A 26 -1.721 -15.358 0.789 1.00 0.00 C ATOM 326 C THR A 26 -0.449 -15.867 0.120 1.00 0.00 C ATOM 327 O THR A 26 -0.506 -16.656 -0.822 1.00 0.00 O ATOM 328 CB THR A 26 -2.318 -16.484 1.654 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.695 -17.590 0.827 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.530 -15.987 2.428 1.00 0.00 C ATOM 0 H THR A 26 -3.402 -15.558 -0.447 1.00 0.00 H new ATOM 0 HA THR A 26 -1.478 -14.509 1.428 1.00 0.00 H new ATOM 0 HB THR A 26 -1.558 -16.806 2.366 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.184 -17.562 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.935 -16.800 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.234 -15.164 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.291 -15.641 1.729 1.00 0.00 H new ATOM 338 N ASN A 27 0.697 -15.412 0.615 1.00 0.00 N ATOM 339 CA ASN A 27 1.984 -15.823 0.064 1.00 0.00 C ATOM 340 C ASN A 27 2.097 -15.430 -1.406 1.00 0.00 C ATOM 341 O ASN A 27 2.803 -16.076 -2.180 1.00 0.00 O ATOM 342 CB ASN A 27 2.168 -17.334 0.216 1.00 0.00 C ATOM 343 CG ASN A 27 2.226 -17.767 1.668 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.226 -18.323 2.122 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.151 -17.512 2.405 1.00 0.00 N ATOM 0 H ASN A 27 0.761 -14.759 1.396 1.00 0.00 H new ATOM 0 HA ASN A 27 2.770 -15.311 0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.346 -17.849 -0.281 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.086 -17.638 -0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.132 -17.779 3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.344 -17.049 1.987 1.00 0.00 H new ATOM 352 N LYS A 28 1.396 -14.366 -1.784 1.00 0.00 N ATOM 353 CA LYS A 28 1.417 -13.885 -3.160 1.00 0.00 C ATOM 354 C LYS A 28 1.895 -12.438 -3.222 1.00 0.00 C ATOM 355 O LYS A 28 1.622 -11.630 -2.335 1.00 0.00 O ATOM 356 CB LYS A 28 0.025 -14.001 -3.784 1.00 0.00 C ATOM 357 CG LYS A 28 -0.364 -15.424 -4.144 1.00 0.00 C ATOM 358 CD LYS A 28 -1.377 -15.456 -5.276 1.00 0.00 C ATOM 359 CE LYS A 28 -1.452 -16.833 -5.918 1.00 0.00 C ATOM 360 NZ LYS A 28 -0.205 -17.168 -6.660 1.00 0.00 N ATOM 0 H LYS A 28 0.806 -13.820 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 28 2.114 -14.504 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.711 -13.597 -3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.014 -13.385 -4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.526 -15.983 -4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.780 -15.921 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.359 -15.177 -4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.106 -14.716 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.629 -17.584 -5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.301 -16.870 -6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.406 -17.913 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.146 -16.320 -7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.517 -17.505 -5.991 1.00 0.00 H new ATOM 374 N PRO A 29 2.625 -12.101 -4.296 1.00 0.00 N ATOM 375 CA PRO A 29 3.155 -10.749 -4.501 1.00 0.00 C ATOM 376 C PRO A 29 2.057 -9.737 -4.808 1.00 0.00 C ATOM 377 O PRO A 29 1.346 -9.861 -5.804 1.00 0.00 O ATOM 378 CB PRO A 29 4.085 -10.911 -5.706 1.00 0.00 C ATOM 379 CG PRO A 29 3.550 -12.092 -6.441 1.00 0.00 C ATOM 380 CD PRO A 29 2.990 -13.013 -5.393 1.00 0.00 C ATOM 0 HA PRO A 29 3.653 -10.367 -3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.080 -10.019 -6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.116 -11.074 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.778 -11.793 -7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.336 -12.584 -7.013 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.125 -13.563 -5.763 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.725 -13.752 -5.073 1.00 0.00 H new ATOM 388 N ASN A 30 1.924 -8.735 -3.945 1.00 0.00 N ATOM 389 CA ASN A 30 0.911 -7.700 -4.124 1.00 0.00 C ATOM 390 C ASN A 30 1.548 -6.314 -4.142 1.00 0.00 C ATOM 391 O ASN A 30 2.081 -5.851 -3.134 1.00 0.00 O ATOM 392 CB ASN A 30 -0.132 -7.780 -3.009 1.00 0.00 C ATOM 393 CG ASN A 30 -0.385 -9.205 -2.554 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.108 -9.958 -3.208 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.211 -9.582 -1.429 1.00 0.00 N ATOM 0 H ASN A 30 2.505 -8.617 -3.115 1.00 0.00 H new ATOM 0 HA ASN A 30 0.421 -7.868 -5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.202 -7.184 -2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.067 -7.342 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.078 -10.529 -1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.802 -8.925 -0.920 1.00 0.00 H new ATOM 402 N VAL A 31 1.486 -5.656 -5.295 1.00 0.00 N ATOM 403 CA VAL A 31 2.055 -4.321 -5.445 1.00 0.00 C ATOM 404 C VAL A 31 0.990 -3.315 -5.868 1.00 0.00 C ATOM 405 O VAL A 31 -0.126 -3.690 -6.227 1.00 0.00 O ATOM 406 CB VAL A 31 3.196 -4.310 -6.479 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.200 -5.412 -6.178 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.640 -4.454 -7.887 1.00 0.00 C ATOM 0 H VAL A 31 1.048 -6.025 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 31 2.455 -4.036 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 31 3.713 -3.353 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.999 -5.389 -6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.622 -5.259 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.700 -6.380 -6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.460 -4.444 -8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.097 -5.396 -7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.964 -3.626 -8.098 1.00 0.00 H new ATOM 418 N PHE A 32 1.344 -2.035 -5.825 1.00 0.00 N ATOM 419 CA PHE A 32 0.418 -0.973 -6.204 1.00 0.00 C ATOM 420 C PHE A 32 1.175 0.278 -6.640 1.00 0.00 C ATOM 421 O PHE A 32 2.311 0.508 -6.223 1.00 0.00 O ATOM 422 CB PHE A 32 -0.513 -0.639 -5.037 1.00 0.00 C ATOM 423 CG PHE A 32 0.193 -0.544 -3.714 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.482 -1.686 -2.985 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.570 0.687 -3.201 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.131 -1.601 -1.767 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.219 0.778 -1.985 1.00 0.00 C ATOM 428 CZ PHE A 32 1.501 -0.368 -1.267 1.00 0.00 C ATOM 0 H PHE A 32 2.264 -1.708 -5.532 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.178 -1.327 -7.045 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.013 0.308 -5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.289 -1.402 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.197 -2.653 -3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.354 1.586 -3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.348 -2.498 -1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.506 1.744 -1.596 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.010 -0.300 -0.317 1.00 0.00 H new ATOM 438 N THR A 33 0.538 1.085 -7.483 1.00 0.00 N ATOM 439 CA THR A 33 1.150 2.311 -7.977 1.00 0.00 C ATOM 440 C THR A 33 0.925 3.467 -7.010 1.00 0.00 C ATOM 441 O THR A 33 -0.197 3.708 -6.565 1.00 0.00 O ATOM 442 CB THR A 33 0.594 2.698 -9.361 1.00 0.00 C ATOM 443 OG1 THR A 33 0.459 1.531 -10.179 1.00 0.00 O ATOM 444 CG2 THR A 33 1.505 3.704 -10.048 1.00 0.00 C ATOM 0 H THR A 33 -0.402 0.911 -7.838 1.00 0.00 H new ATOM 0 HA THR A 33 2.219 2.117 -8.064 1.00 0.00 H new ATOM 0 HB THR A 33 -0.385 3.156 -9.220 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.103 1.786 -11.056 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.092 3.962 -11.023 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.581 4.603 -9.436 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.496 3.269 -10.177 1.00 0.00 H new ATOM 452 N VAL A 34 1.999 4.181 -6.687 1.00 0.00 N ATOM 453 CA VAL A 34 1.918 5.314 -5.773 1.00 0.00 C ATOM 454 C VAL A 34 2.589 6.547 -6.366 1.00 0.00 C ATOM 455 O VAL A 34 3.816 6.656 -6.375 1.00 0.00 O ATOM 456 CB VAL A 34 2.572 4.989 -4.417 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.468 6.178 -3.475 1.00 0.00 C ATOM 458 CG2 VAL A 34 1.934 3.753 -3.801 1.00 0.00 C ATOM 0 H VAL A 34 2.936 3.995 -7.045 1.00 0.00 H new ATOM 0 HA VAL A 34 0.859 5.520 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 34 3.629 4.780 -4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.935 5.929 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.975 7.036 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.418 6.422 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.408 3.538 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.870 3.931 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.066 2.903 -4.471 1.00 0.00 H new ATOM 468 N VAL A 35 1.777 7.476 -6.860 1.00 0.00 N ATOM 469 CA VAL A 35 2.292 8.704 -7.454 1.00 0.00 C ATOM 470 C VAL A 35 2.276 9.850 -6.448 1.00 0.00 C ATOM 471 O VAL A 35 1.240 10.161 -5.860 1.00 0.00 O ATOM 472 CB VAL A 35 1.476 9.113 -8.695 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.792 10.547 -9.093 1.00 0.00 C ATOM 474 CG2 VAL A 35 1.745 8.159 -9.848 1.00 0.00 C ATOM 0 H VAL A 35 0.760 7.402 -6.861 1.00 0.00 H new ATOM 0 HA VAL A 35 3.320 8.503 -7.755 1.00 0.00 H new ATOM 0 HB VAL A 35 0.416 9.055 -8.447 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.206 10.818 -9.971 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.543 11.216 -8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.854 10.635 -9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.160 8.463 -10.716 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.805 8.181 -10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.462 7.147 -9.557 1.00 0.00 H new ATOM 484 N THR A 36 3.433 10.477 -6.255 1.00 0.00 N ATOM 485 CA THR A 36 3.553 11.588 -5.320 1.00 0.00 C ATOM 486 C THR A 36 3.939 12.874 -6.041 1.00 0.00 C ATOM 487 O THR A 36 4.829 13.601 -5.600 1.00 0.00 O ATOM 488 CB THR A 36 4.597 11.292 -4.227 1.00 0.00 C ATOM 489 OG1 THR A 36 5.865 11.003 -4.826 1.00 0.00 O ATOM 490 CG2 THR A 36 4.159 10.119 -3.363 1.00 0.00 C ATOM 0 H THR A 36 4.300 10.234 -6.734 1.00 0.00 H new ATOM 0 HA THR A 36 2.576 11.716 -4.854 1.00 0.00 H new ATOM 0 HB THR A 36 4.688 12.175 -3.594 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.524 10.818 -4.124 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.912 9.929 -2.598 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.208 10.354 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.042 9.232 -3.986 1.00 0.00 H new ATOM 579 N LEU A 44 7.727 9.001 3.182 1.00 0.00 N ATOM 580 CA LEU A 44 6.652 8.040 2.960 1.00 0.00 C ATOM 581 C LEU A 44 6.829 6.811 3.846 1.00 0.00 C ATOM 582 O LEU A 44 7.934 6.292 3.991 1.00 0.00 O ATOM 583 CB LEU A 44 6.613 7.621 1.489 1.00 0.00 C ATOM 584 CG LEU A 44 5.533 6.608 1.108 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.162 7.098 1.547 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.553 6.345 -0.390 1.00 0.00 C ATOM 0 HA LEU A 44 5.709 8.520 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.475 8.515 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.584 7.203 1.225 1.00 0.00 H new ATOM 0 HG LEU A 44 5.743 5.671 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.406 6.364 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.153 7.234 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.942 8.048 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.778 5.622 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.369 7.276 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.527 5.948 -0.677 1.00 0.00 H new ATOM 598 N GLY A 45 5.730 6.349 4.434 1.00 0.00 N ATOM 599 CA GLY A 45 5.784 5.183 5.297 1.00 0.00 C ATOM 600 C GLY A 45 4.653 4.210 5.029 1.00 0.00 C ATOM 601 O GLY A 45 3.578 4.320 5.619 1.00 0.00 O ATOM 0 H GLY A 45 4.803 6.761 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.738 4.674 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.744 5.503 6.338 1.00 0.00 H new ATOM 605 N ILE A 46 4.894 3.257 4.135 1.00 0.00 N ATOM 606 CA ILE A 46 3.887 2.262 3.790 1.00 0.00 C ATOM 607 C ILE A 46 4.080 0.982 4.596 1.00 0.00 C ATOM 608 O ILE A 46 5.148 0.370 4.565 1.00 0.00 O ATOM 609 CB ILE A 46 3.924 1.920 2.289 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.990 3.200 1.454 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.707 1.092 1.904 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.520 2.982 0.054 1.00 0.00 C ATOM 0 H ILE A 46 5.778 3.153 3.637 1.00 0.00 H new ATOM 0 HA ILE A 46 2.918 2.698 4.031 1.00 0.00 H new ATOM 0 HB ILE A 46 4.818 1.330 2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.993 3.636 1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.624 3.925 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.748 0.858 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.700 0.166 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.800 1.658 2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.539 3.932 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.530 2.575 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.874 2.281 -0.475 1.00 0.00 H new ATOM 624 N THR A 47 3.038 0.580 5.318 1.00 0.00 N ATOM 625 CA THR A 47 3.091 -0.627 6.132 1.00 0.00 C ATOM 626 C THR A 47 1.808 -1.439 5.997 1.00 0.00 C ATOM 627 O THR A 47 0.777 -0.922 5.566 1.00 0.00 O ATOM 628 CB THR A 47 3.320 -0.293 7.618 1.00 0.00 C ATOM 629 OG1 THR A 47 2.451 0.772 8.020 1.00 0.00 O ATOM 630 CG2 THR A 47 4.767 0.106 7.867 1.00 0.00 C ATOM 0 H THR A 47 2.146 1.074 5.355 1.00 0.00 H new ATOM 0 HA THR A 47 3.931 -1.218 5.766 1.00 0.00 H new ATOM 0 HB THR A 47 3.099 -1.184 8.206 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.601 0.977 8.966 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.904 0.337 8.923 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.425 -0.717 7.587 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.010 0.984 7.269 1.00 0.00 H new ATOM 638 N VAL A 48 1.878 -2.713 6.369 1.00 0.00 N ATOM 639 CA VAL A 48 0.721 -3.597 6.291 1.00 0.00 C ATOM 640 C VAL A 48 0.511 -4.345 7.602 1.00 0.00 C ATOM 641 O VAL A 48 1.431 -4.978 8.120 1.00 0.00 O ATOM 642 CB VAL A 48 0.870 -4.618 5.147 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.195 -5.699 5.254 1.00 0.00 C ATOM 644 CG2 VAL A 48 0.800 -3.920 3.798 1.00 0.00 C ATOM 0 H VAL A 48 2.724 -3.156 6.727 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.146 -2.966 6.094 1.00 0.00 H new ATOM 0 HB VAL A 48 1.847 -5.094 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.074 -6.411 4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.092 -6.218 6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.183 -5.243 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.907 -4.656 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.161 -3.415 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.604 -3.187 3.725 1.00 0.00 H new ATOM 654 N GLU A 49 -0.705 -4.269 8.133 1.00 0.00 N ATOM 655 CA GLU A 49 -1.035 -4.940 9.385 1.00 0.00 C ATOM 656 C GLU A 49 -2.116 -5.995 9.169 1.00 0.00 C ATOM 657 O GLU A 49 -2.952 -5.868 8.275 1.00 0.00 O ATOM 658 CB GLU A 49 -1.500 -3.922 10.428 1.00 0.00 C ATOM 659 CG GLU A 49 -0.366 -3.321 11.241 1.00 0.00 C ATOM 660 CD GLU A 49 -0.057 -4.122 12.491 1.00 0.00 C ATOM 661 OE1 GLU A 49 0.707 -5.105 12.392 1.00 0.00 O ATOM 662 OE2 GLU A 49 -0.578 -3.765 13.569 1.00 0.00 O ATOM 0 H GLU A 49 -1.478 -3.750 7.716 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.136 -5.437 9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.040 -3.120 9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.205 -4.405 11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.529 -3.262 10.621 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.627 -2.301 11.523 1.00 0.00 H new ATOM 669 N GLY A 50 -2.093 -7.036 9.995 1.00 0.00 N ATOM 670 CA GLY A 50 -3.075 -8.098 9.878 1.00 0.00 C ATOM 671 C GLY A 50 -2.780 -9.265 10.800 1.00 0.00 C ATOM 672 O GLY A 50 -1.993 -9.157 11.740 1.00 0.00 O ATOM 0 H GLY A 50 -1.412 -7.163 10.743 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.064 -7.701 10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.102 -8.451 8.847 1.00 0.00 H new ATOM 676 N PRO A 51 -3.424 -10.411 10.534 1.00 0.00 N ATOM 677 CA PRO A 51 -3.244 -11.625 11.336 1.00 0.00 C ATOM 678 C PRO A 51 -1.862 -12.243 11.150 1.00 0.00 C ATOM 679 O PRO A 51 -1.560 -13.292 11.718 1.00 0.00 O ATOM 680 CB PRO A 51 -4.327 -12.566 10.804 1.00 0.00 C ATOM 681 CG PRO A 51 -4.584 -12.100 9.413 1.00 0.00 C ATOM 682 CD PRO A 51 -4.377 -10.611 9.430 1.00 0.00 C ATOM 0 HA PRO A 51 -3.323 -11.423 12.404 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.992 -13.603 10.818 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.230 -12.514 11.412 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.905 -12.580 8.709 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.598 -12.349 9.099 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.976 -10.250 8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.311 -10.077 9.604 1.00 0.00 H new ATOM 690 N SER A 52 -1.028 -11.586 10.350 1.00 0.00 N ATOM 691 CA SER A 52 0.321 -12.073 10.086 1.00 0.00 C ATOM 692 C SER A 52 1.190 -10.970 9.491 1.00 0.00 C ATOM 693 O SER A 52 0.695 -10.080 8.801 1.00 0.00 O ATOM 694 CB SER A 52 0.276 -13.271 9.136 1.00 0.00 C ATOM 695 OG SER A 52 0.158 -12.849 7.788 1.00 0.00 O ATOM 0 H SER A 52 -1.263 -10.715 9.874 1.00 0.00 H new ATOM 0 HA SER A 52 0.760 -12.386 11.033 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.180 -13.868 9.256 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.566 -13.913 9.395 1.00 0.00 H new ATOM 0 HG SER A 52 -0.733 -12.469 7.641 1.00 0.00 H new ATOM 701 N GLU A 53 2.489 -11.037 9.765 1.00 0.00 N ATOM 702 CA GLU A 53 3.428 -10.043 9.258 1.00 0.00 C ATOM 703 C GLU A 53 3.741 -10.292 7.785 1.00 0.00 C ATOM 704 O GLU A 53 4.261 -11.346 7.419 1.00 0.00 O ATOM 705 CB GLU A 53 4.721 -10.066 10.076 1.00 0.00 C ATOM 706 CG GLU A 53 5.624 -8.871 9.821 1.00 0.00 C ATOM 707 CD GLU A 53 6.904 -8.923 10.632 1.00 0.00 C ATOM 708 OE1 GLU A 53 6.850 -9.376 11.795 1.00 0.00 O ATOM 709 OE2 GLU A 53 7.958 -8.511 10.105 1.00 0.00 O ATOM 0 H GLU A 53 2.915 -11.768 10.335 1.00 0.00 H new ATOM 0 HA GLU A 53 2.964 -9.061 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.470 -10.101 11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.269 -10.980 9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.872 -8.828 8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.084 -7.955 10.060 1.00 0.00 H new ATOM 716 N SER A 54 3.419 -9.314 6.944 1.00 0.00 N ATOM 717 CA SER A 54 3.661 -9.427 5.511 1.00 0.00 C ATOM 718 C SER A 54 5.032 -8.865 5.145 1.00 0.00 C ATOM 719 O SER A 54 5.480 -7.870 5.714 1.00 0.00 O ATOM 720 CB SER A 54 2.571 -8.693 4.728 1.00 0.00 C ATOM 721 OG SER A 54 1.282 -9.157 5.092 1.00 0.00 O ATOM 0 H SER A 54 2.990 -8.434 7.231 1.00 0.00 H new ATOM 0 HA SER A 54 3.638 -10.484 5.247 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.642 -7.622 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.725 -8.840 3.659 1.00 0.00 H new ATOM 0 HG SER A 54 0.603 -8.671 4.579 1.00 0.00 H new ATOM 727 N LYS A 55 5.693 -9.511 4.190 1.00 0.00 N ATOM 728 CA LYS A 55 7.012 -9.077 3.745 1.00 0.00 C ATOM 729 C LYS A 55 6.902 -7.889 2.794 1.00 0.00 C ATOM 730 O LYS A 55 6.704 -8.062 1.591 1.00 0.00 O ATOM 731 CB LYS A 55 7.745 -10.230 3.056 1.00 0.00 C ATOM 732 CG LYS A 55 8.515 -11.121 4.014 1.00 0.00 C ATOM 733 CD LYS A 55 9.015 -12.380 3.326 1.00 0.00 C ATOM 734 CE LYS A 55 10.208 -12.089 2.429 1.00 0.00 C ATOM 735 NZ LYS A 55 10.284 -13.036 1.282 1.00 0.00 N ATOM 0 H LYS A 55 5.337 -10.337 3.709 1.00 0.00 H new ATOM 0 HA LYS A 55 7.580 -8.766 4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.021 -10.836 2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.436 -9.821 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.361 -10.570 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.875 -11.394 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.295 -13.119 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.211 -12.816 2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.139 -11.068 2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.126 -12.152 3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.110 -12.804 0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.375 -14.008 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.419 -12.958 0.709 1.00 0.00 H new ATOM 749 N ILE A 56 7.034 -6.686 3.340 1.00 0.00 N ATOM 750 CA ILE A 56 6.952 -5.470 2.540 1.00 0.00 C ATOM 751 C ILE A 56 8.318 -5.087 1.981 1.00 0.00 C ATOM 752 O ILE A 56 9.348 -5.347 2.601 1.00 0.00 O ATOM 753 CB ILE A 56 6.396 -4.292 3.360 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.896 -4.472 3.601 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.670 -2.975 2.648 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.337 -3.543 4.656 1.00 0.00 C ATOM 0 H ILE A 56 7.198 -6.526 4.334 1.00 0.00 H new ATOM 0 HA ILE A 56 6.271 -5.680 1.716 1.00 0.00 H new ATOM 0 HB ILE A 56 6.900 -4.272 4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.364 -4.307 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.705 -5.503 3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.271 -2.151 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.745 -2.845 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.190 -2.984 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.269 -3.727 4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.843 -3.723 5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.496 -2.509 4.351 1.00 0.00 H new ATOM 768 N ASN A 57 8.318 -4.465 0.806 1.00 0.00 N ATOM 769 CA ASN A 57 9.558 -4.044 0.164 1.00 0.00 C ATOM 770 C ASN A 57 9.326 -2.818 -0.714 1.00 0.00 C ATOM 771 O ASN A 57 8.621 -2.887 -1.721 1.00 0.00 O ATOM 772 CB ASN A 57 10.134 -5.186 -0.676 1.00 0.00 C ATOM 773 CG ASN A 57 10.785 -6.259 0.175 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.675 -5.975 0.977 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.343 -7.499 0.003 1.00 0.00 N ATOM 0 H ASN A 57 7.473 -4.242 0.279 1.00 0.00 H new ATOM 0 HA ASN A 57 10.272 -3.780 0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.338 -5.632 -1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.868 -4.785 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.743 -8.263 0.547 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.603 -7.687 -0.673 1.00 0.00 H new ATOM 782 N CYS A 58 9.925 -1.698 -0.325 1.00 0.00 N ATOM 783 CA CYS A 58 9.784 -0.456 -1.077 1.00 0.00 C ATOM 784 C CYS A 58 10.997 -0.222 -1.972 1.00 0.00 C ATOM 785 O CYS A 58 12.137 -0.431 -1.557 1.00 0.00 O ATOM 786 CB CYS A 58 9.606 0.725 -0.121 1.00 0.00 C ATOM 787 SG CYS A 58 7.890 1.030 0.362 1.00 0.00 S ATOM 0 H CYS A 58 10.512 -1.624 0.506 1.00 0.00 H new ATOM 0 HA CYS A 58 8.900 -0.540 -1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.198 0.545 0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.005 1.623 -0.592 1.00 0.00 H new ATOM 0 HG CYS A 58 7.841 2.045 1.172 1.00 0.00 H new ATOM 895 N CYS A 66 6.360 5.761 -6.548 1.00 0.00 N ATOM 896 CA CYS A 66 6.888 4.856 -5.533 1.00 0.00 C ATOM 897 C CYS A 66 6.331 3.448 -5.718 1.00 0.00 C ATOM 898 O CYS A 66 5.138 3.268 -5.962 1.00 0.00 O ATOM 899 CB CYS A 66 6.549 5.372 -4.134 1.00 0.00 C ATOM 900 SG CYS A 66 7.467 4.559 -2.805 1.00 0.00 S ATOM 0 HA CYS A 66 7.972 4.816 -5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.747 6.443 -4.096 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.482 5.239 -3.958 1.00 0.00 H new ATOM 0 HG CYS A 66 6.642 4.189 -1.871 1.00 0.00 H new ATOM 906 N SER A 67 7.204 2.452 -5.601 1.00 0.00 N ATOM 907 CA SER A 67 6.801 1.060 -5.761 1.00 0.00 C ATOM 908 C SER A 67 6.854 0.322 -4.426 1.00 0.00 C ATOM 909 O SER A 67 7.913 0.205 -3.811 1.00 0.00 O ATOM 910 CB SER A 67 7.703 0.359 -6.779 1.00 0.00 C ATOM 911 OG SER A 67 7.240 0.570 -8.101 1.00 0.00 O ATOM 0 H SER A 67 8.195 2.583 -5.396 1.00 0.00 H new ATOM 0 HA SER A 67 5.774 1.045 -6.125 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.723 0.732 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.733 -0.710 -6.567 1.00 0.00 H new ATOM 0 HG SER A 67 7.834 0.113 -8.733 1.00 0.00 H new ATOM 917 N ALA A 68 5.702 -0.172 -3.985 1.00 0.00 N ATOM 918 CA ALA A 68 5.615 -0.900 -2.725 1.00 0.00 C ATOM 919 C ALA A 68 4.980 -2.271 -2.925 1.00 0.00 C ATOM 920 O ALA A 68 3.872 -2.381 -3.451 1.00 0.00 O ATOM 921 CB ALA A 68 4.826 -0.094 -1.704 1.00 0.00 C ATOM 0 H ALA A 68 4.816 -0.081 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 68 6.627 -1.050 -2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.769 -0.649 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.324 0.860 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.819 0.086 -2.082 1.00 0.00 H new ATOM 927 N GLU A 69 5.688 -3.314 -2.504 1.00 0.00 N ATOM 928 CA GLU A 69 5.192 -4.679 -2.639 1.00 0.00 C ATOM 929 C GLU A 69 5.133 -5.373 -1.282 1.00 0.00 C ATOM 930 O GLU A 69 6.021 -5.204 -0.446 1.00 0.00 O ATOM 931 CB GLU A 69 6.083 -5.476 -3.594 1.00 0.00 C ATOM 932 CG GLU A 69 7.522 -5.600 -3.123 1.00 0.00 C ATOM 933 CD GLU A 69 8.397 -6.345 -4.113 1.00 0.00 C ATOM 934 OE1 GLU A 69 7.876 -7.239 -4.811 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.604 -6.032 -4.189 1.00 0.00 O ATOM 0 H GLU A 69 6.607 -3.240 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 69 4.183 -4.633 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.664 -6.474 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.070 -4.998 -4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.933 -4.604 -2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.543 -6.117 -2.164 1.00 0.00 H new ATOM 942 N TYR A 70 4.080 -6.155 -1.069 1.00 0.00 N ATOM 943 CA TYR A 70 3.903 -6.873 0.187 1.00 0.00 C ATOM 944 C TYR A 70 3.427 -8.301 -0.064 1.00 0.00 C ATOM 945 O TYR A 70 2.790 -8.585 -1.078 1.00 0.00 O ATOM 946 CB TYR A 70 2.901 -6.140 1.081 1.00 0.00 C ATOM 947 CG TYR A 70 1.489 -6.147 0.541 1.00 0.00 C ATOM 948 CD1 TYR A 70 1.058 -5.166 -0.344 1.00 0.00 C ATOM 949 CD2 TYR A 70 0.585 -7.133 0.915 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.232 -5.167 -0.840 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.705 -7.144 0.423 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.109 -6.159 -0.454 1.00 0.00 C ATOM 953 OH TYR A 70 -2.395 -6.165 -0.945 1.00 0.00 O ATOM 0 H TYR A 70 3.336 -6.307 -1.750 1.00 0.00 H new ATOM 0 HA TYR A 70 4.868 -6.914 0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.905 -6.599 2.070 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.227 -5.108 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.743 -4.389 -0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.897 -7.905 1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.551 -4.396 -1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.394 -7.920 0.723 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.788 -5.273 -0.844 1.00 0.00 H new ATOM 963 N ILE A 71 3.741 -9.194 0.868 1.00 0.00 N ATOM 964 CA ILE A 71 3.344 -10.592 0.750 1.00 0.00 C ATOM 965 C ILE A 71 2.949 -11.168 2.105 1.00 0.00 C ATOM 966 O ILE A 71 3.793 -11.458 2.954 1.00 0.00 O ATOM 967 CB ILE A 71 4.475 -11.449 0.150 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.770 -11.010 -1.286 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.102 -12.923 0.193 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.127 -11.454 -1.787 1.00 0.00 C ATOM 0 H ILE A 71 4.269 -8.975 1.713 1.00 0.00 H new ATOM 0 HA ILE A 71 2.483 -10.620 0.082 1.00 0.00 H new ATOM 0 HB ILE A 71 5.376 -11.305 0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.000 -11.410 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.707 -9.923 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.911 -13.516 -0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.937 -13.227 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.191 -13.085 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.268 -11.108 -2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.905 -11.032 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.187 -12.542 -1.760 1.00 0.00 H new ATOM 982 N PRO A 72 1.636 -11.341 2.315 1.00 0.00 N ATOM 983 CA PRO A 72 1.099 -11.886 3.565 1.00 0.00 C ATOM 984 C PRO A 72 1.420 -13.367 3.737 1.00 0.00 C ATOM 985 O PRO A 72 1.966 -14.002 2.835 1.00 0.00 O ATOM 986 CB PRO A 72 -0.411 -11.680 3.422 1.00 0.00 C ATOM 987 CG PRO A 72 -0.651 -11.644 1.952 1.00 0.00 C ATOM 988 CD PRO A 72 0.574 -11.017 1.347 1.00 0.00 C ATOM 0 HA PRO A 72 1.529 -11.398 4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.967 -12.490 3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.731 -10.753 3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.810 -12.648 1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.543 -11.064 1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.790 -11.428 0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.456 -9.940 1.225 1.00 0.00 H new ATOM 996 N PHE A 73 1.078 -13.911 4.900 1.00 0.00 N ATOM 997 CA PHE A 73 1.330 -15.317 5.190 1.00 0.00 C ATOM 998 C PHE A 73 0.049 -16.021 5.628 1.00 0.00 C ATOM 999 O PHE A 73 0.006 -17.246 5.733 1.00 0.00 O ATOM 1000 CB PHE A 73 2.398 -15.452 6.278 1.00 0.00 C ATOM 1001 CG PHE A 73 3.773 -15.059 5.820 1.00 0.00 C ATOM 1002 CD1 PHE A 73 4.044 -13.755 5.437 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.795 -15.993 5.773 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.309 -13.390 5.016 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.062 -15.634 5.353 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.319 -14.331 4.973 1.00 0.00 C ATOM 0 H PHE A 73 0.625 -13.399 5.657 1.00 0.00 H new ATOM 0 HA PHE A 73 1.690 -15.791 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.117 -14.834 7.130 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.421 -16.484 6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.258 -13.015 5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.600 -17.013 6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.507 -12.370 4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.850 -16.372 5.322 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.308 -14.049 4.643 1.00 0.00 H new ATOM 1016 N ALA A 74 -0.992 -15.236 5.883 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.275 -15.783 6.309 1.00 0.00 C ATOM 1018 C ALA A 74 -3.434 -14.976 5.733 1.00 0.00 C ATOM 1019 O ALA A 74 -3.373 -13.752 5.618 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.356 -15.816 7.828 1.00 0.00 C ATOM 0 H ALA A 74 -0.973 -14.219 5.802 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.352 -16.802 5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.319 -16.226 8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.554 -16.441 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.253 -14.804 8.220 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.516 -15.676 5.362 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.710 -15.044 4.791 1.00 0.00 C ATOM 1028 C PRO A 75 -6.475 -14.218 5.819 1.00 0.00 C ATOM 1029 O PRO A 75 -6.635 -14.630 6.967 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.553 -16.234 4.326 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.117 -17.367 5.190 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.658 -17.137 5.471 1.00 0.00 C ATOM 0 HA PRO A 75 -5.460 -14.344 3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.618 -16.034 4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.383 -16.452 3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.693 -17.396 6.115 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.272 -18.322 4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.378 -17.495 6.462 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.024 -17.657 4.753 1.00 0.00 H new ATOM 1040 N GLY A 76 -6.948 -13.049 5.398 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.693 -12.183 6.294 1.00 0.00 C ATOM 1042 C GLY A 76 -7.741 -10.749 5.807 1.00 0.00 C ATOM 1043 O GLY A 76 -7.268 -10.441 4.713 1.00 0.00 O ATOM 0 H GLY A 76 -6.829 -12.686 4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.710 -12.562 6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.238 -12.212 7.284 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.316 -9.869 6.620 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.425 -8.459 6.266 1.00 0.00 C ATOM 1049 C ASP A 77 -7.221 -7.675 6.778 1.00 0.00 C ATOM 1050 O ASP A 77 -6.911 -7.701 7.970 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.715 -7.866 6.836 1.00 0.00 C ATOM 1052 CG ASP A 77 -10.829 -8.890 6.932 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -10.890 -9.607 7.953 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -11.640 -8.975 5.986 1.00 0.00 O ATOM 0 H ASP A 77 -8.714 -10.108 7.528 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.449 -8.384 5.179 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.516 -7.455 7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.040 -7.038 6.207 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.545 -6.979 5.871 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.372 -6.191 6.230 1.00 0.00 C ATOM 1061 C TYR A 78 -5.644 -4.700 6.053 1.00 0.00 C ATOM 1062 O TYR A 78 -6.602 -4.306 5.388 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.172 -6.606 5.378 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.614 -7.964 5.739 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.354 -9.120 5.525 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.347 -8.091 6.295 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.849 -10.363 5.855 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.833 -9.330 6.626 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.588 -10.463 6.404 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.080 -11.698 6.734 1.00 0.00 O ATOM 0 H TYR A 78 -6.789 -6.944 4.881 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.146 -6.380 7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.466 -6.611 4.329 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.385 -5.859 5.485 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.341 -9.046 5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.754 -7.206 6.471 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.439 -11.251 5.684 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.846 -9.411 7.056 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.460 -12.378 6.139 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.793 -3.875 6.654 1.00 0.00 N ATOM 1081 CA ASP A 79 -4.938 -2.427 6.563 1.00 0.00 C ATOM 1082 C ASP A 79 -3.628 -1.776 6.130 1.00 0.00 C ATOM 1083 O ASP A 79 -2.721 -1.583 6.940 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.388 -1.853 7.907 1.00 0.00 C ATOM 1085 CG ASP A 79 -6.895 -1.876 8.072 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.553 -0.902 7.651 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.416 -2.870 8.621 1.00 0.00 O ATOM 0 H ASP A 79 -3.996 -4.185 7.209 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.697 -2.209 5.812 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.928 -2.423 8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.031 -0.827 7.998 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.536 -1.439 4.847 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.337 -0.810 4.307 1.00 0.00 C ATOM 1094 C VAL A 80 -2.213 0.634 4.781 1.00 0.00 C ATOM 1095 O VAL A 80 -2.912 1.521 4.294 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.337 -0.833 2.766 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -1.068 -0.195 2.223 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.488 -2.259 2.256 1.00 0.00 C ATOM 0 H VAL A 80 -4.277 -1.591 4.163 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.486 -1.385 4.673 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.188 -0.252 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.086 -0.220 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.007 0.839 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.200 -0.746 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.486 -2.258 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.658 -2.865 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.428 -2.677 2.617 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.316 0.862 5.736 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.099 2.198 6.277 1.00 0.00 C ATOM 1110 C ASN A 81 -0.091 2.971 5.432 1.00 0.00 C ATOM 1111 O ASN A 81 1.049 2.539 5.260 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.609 2.112 7.724 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.719 1.746 8.690 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.202 2.589 9.446 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -2.128 0.483 8.670 1.00 0.00 N ATOM 0 H ASN A 81 -0.728 0.139 6.150 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.050 2.731 6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.187 1.370 7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.178 3.070 8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.871 0.178 9.298 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.699 -0.182 8.026 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.519 4.114 4.908 1.00 0.00 N ATOM 1123 CA ILE A 82 0.346 4.948 4.083 1.00 0.00 C ATOM 1124 C ILE A 82 0.370 6.386 4.589 1.00 0.00 C ATOM 1125 O ILE A 82 -0.662 7.055 4.643 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.104 4.941 2.610 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.078 3.517 2.052 1.00 0.00 C ATOM 1128 CG2 ILE A 82 0.783 5.857 1.781 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.951 3.330 0.831 1.00 0.00 C ATOM 0 H ILE A 82 -1.460 4.484 5.040 1.00 0.00 H new ATOM 0 HA ILE A 82 1.349 4.526 4.150 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.127 5.313 2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.949 3.254 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.402 2.825 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.452 5.841 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.718 6.874 2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.816 5.513 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.883 2.297 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.986 3.561 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.614 3.997 0.037 1.00 0.00 H new ATOM 1141 N THR A 83 1.557 6.858 4.958 1.00 0.00 N ATOM 1142 CA THR A 83 1.717 8.217 5.460 1.00 0.00 C ATOM 1143 C THR A 83 2.830 8.949 4.719 1.00 0.00 C ATOM 1144 O THR A 83 3.897 8.387 4.471 1.00 0.00 O ATOM 1145 CB THR A 83 2.027 8.226 6.969 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.175 7.413 7.238 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.838 7.715 7.768 1.00 0.00 C ATOM 0 H THR A 83 2.422 6.319 4.918 1.00 0.00 H new ATOM 0 HA THR A 83 0.771 8.731 5.288 1.00 0.00 H new ATOM 0 HB THR A 83 2.232 9.253 7.270 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.367 7.425 8.199 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.080 7.730 8.831 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.026 8.353 7.583 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.607 6.694 7.463 1.00 0.00 H new ATOM 1155 N TYR A 84 2.576 10.204 4.369 1.00 0.00 N ATOM 1156 CA TYR A 84 3.557 11.013 3.655 1.00 0.00 C ATOM 1157 C TYR A 84 4.093 12.131 4.545 1.00 0.00 C ATOM 1158 O TYR A 84 3.336 12.972 5.028 1.00 0.00 O ATOM 1159 CB TYR A 84 2.935 11.607 2.390 1.00 0.00 C ATOM 1160 CG TYR A 84 3.953 12.002 1.344 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.697 11.039 0.672 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.171 13.337 1.028 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.628 11.396 -0.284 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.099 13.702 0.072 1.00 0.00 C ATOM 1165 CZ TYR A 84 5.825 12.728 -0.581 1.00 0.00 C ATOM 1166 OH TYR A 84 6.752 13.088 -1.533 1.00 0.00 O ATOM 0 H TYR A 84 1.698 10.684 4.568 1.00 0.00 H new ATOM 0 HA TYR A 84 4.389 10.367 3.374 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.246 10.881 1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.346 12.483 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.545 9.995 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.605 14.103 1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.199 10.636 -0.796 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.255 14.745 -0.163 1.00 0.00 H new ATOM 0 HH TYR A 84 6.767 14.064 -1.623 1.00 0.00 H new ATOM 1176 N GLY A 85 5.405 12.132 4.756 1.00 0.00 N ATOM 1177 CA GLY A 85 6.022 13.150 5.586 1.00 0.00 C ATOM 1178 C GLY A 85 5.706 12.969 7.057 1.00 0.00 C ATOM 1179 O GLY A 85 6.595 12.686 7.860 1.00 0.00 O ATOM 0 H GLY A 85 6.052 11.446 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.102 13.124 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.681 14.134 5.263 1.00 0.00 H new ATOM 1183 N GLY A 86 4.436 13.133 7.413 1.00 0.00 N ATOM 1184 CA GLY A 86 4.028 12.983 8.797 1.00 0.00 C ATOM 1185 C GLY A 86 2.521 12.987 8.961 1.00 0.00 C ATOM 1186 O GLY A 86 2.007 13.318 10.029 1.00 0.00 O ATOM 0 H GLY A 86 3.682 13.367 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.431 12.051 9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.457 13.792 9.389 1.00 0.00 H new ATOM 1190 N ALA A 87 1.811 12.619 7.900 1.00 0.00 N ATOM 1191 CA ALA A 87 0.354 12.581 7.931 1.00 0.00 C ATOM 1192 C ALA A 87 -0.180 11.364 7.183 1.00 0.00 C ATOM 1193 O ALA A 87 0.558 10.697 6.457 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.220 13.860 7.339 1.00 0.00 C ATOM 0 H ALA A 87 2.221 12.343 7.008 1.00 0.00 H new ATOM 0 HA ALA A 87 0.040 12.502 8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.309 13.818 7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.126 14.716 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.111 13.963 6.306 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.465 11.080 7.366 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.098 9.942 6.708 1.00 0.00 C ATOM 1202 C HIS A 88 -2.843 10.385 5.453 1.00 0.00 C ATOM 1203 O HIS A 88 -3.703 11.265 5.509 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.061 9.242 7.667 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.410 8.182 8.502 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.316 6.864 8.106 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.817 8.252 9.717 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.696 6.169 9.043 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.382 6.988 10.030 1.00 0.00 N ATOM 0 H HIS A 88 -2.089 11.622 7.964 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.315 9.242 6.416 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.511 9.986 8.325 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.871 8.794 7.092 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.707 9.137 10.326 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.482 5.111 9.008 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.895 6.724 10.887 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.508 9.771 4.323 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.146 10.103 3.056 1.00 0.00 C ATOM 1220 C ILE A 89 -4.630 9.754 3.079 1.00 0.00 C ATOM 1221 O ILE A 89 -5.066 8.835 3.773 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.476 9.369 1.879 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.751 7.866 1.964 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.979 9.640 1.869 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.505 7.132 0.664 1.00 0.00 C ATOM 0 H ILE A 89 -1.798 9.041 4.260 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.030 11.178 2.917 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.899 9.744 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.121 7.433 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.786 7.711 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.520 9.115 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.804 10.711 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.539 9.289 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.720 6.072 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.154 7.538 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.463 7.256 0.368 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.427 10.502 2.302 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.874 10.289 2.214 1.00 0.00 C ATOM 1239 C PRO A 90 -7.227 8.992 1.495 1.00 0.00 C ATOM 1240 O PRO A 90 -7.411 8.976 0.278 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.363 11.496 1.410 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.182 11.917 0.604 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.975 11.614 1.448 1.00 0.00 C ATOM 0 HA PRO A 90 -7.333 10.202 3.199 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.205 11.231 0.770 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.701 12.298 2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.142 11.377 -0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.233 12.979 0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.119 11.329 0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.671 12.478 2.040 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.319 7.905 2.255 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.650 6.618 1.672 1.00 0.00 C ATOM 1253 C GLY A 91 -7.117 5.457 2.488 1.00 0.00 C ATOM 1254 O GLY A 91 -7.572 4.323 2.339 1.00 0.00 O ATOM 0 H GLY A 91 -7.170 7.893 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.733 6.530 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.244 6.565 0.662 1.00 0.00 H new ATOM 1258 N SER A 92 -6.148 5.740 3.353 1.00 0.00 N ATOM 1259 CA SER A 92 -5.548 4.709 4.193 1.00 0.00 C ATOM 1260 C SER A 92 -6.095 4.781 5.615 1.00 0.00 C ATOM 1261 O SER A 92 -6.518 5.835 6.093 1.00 0.00 O ATOM 1262 CB SER A 92 -4.026 4.859 4.211 1.00 0.00 C ATOM 1263 OG SER A 92 -3.487 4.437 5.452 1.00 0.00 O ATOM 0 H SER A 92 -5.762 6.674 3.491 1.00 0.00 H new ATOM 0 HA SER A 92 -5.805 3.737 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.590 4.272 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.758 5.900 4.029 1.00 0.00 H new ATOM 0 HG SER A 92 -3.553 5.167 6.102 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.087 3.634 6.310 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.587 2.374 5.752 1.00 0.00 C ATOM 1271 C PRO A 93 -6.498 1.821 4.661 1.00 0.00 C ATOM 1272 O PRO A 93 -7.715 2.003 4.703 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.568 1.434 6.960 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.595 1.988 7.887 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.567 3.479 7.694 1.00 0.00 C ATOM 0 HA PRO A 93 -4.615 2.497 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.807 0.411 6.670 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.584 1.410 7.428 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.582 1.584 7.662 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.371 1.724 8.920 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.554 3.920 7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.901 3.964 8.407 1.00 0.00 H new ATOM 1283 N PHE A 94 -5.901 1.146 3.685 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.658 0.567 2.582 1.00 0.00 C ATOM 1285 C PHE A 94 -6.949 -0.909 2.838 1.00 0.00 C ATOM 1286 O PHE A 94 -6.052 -1.750 2.772 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.891 0.726 1.268 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.732 2.156 0.836 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.740 2.954 1.384 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.575 2.703 -0.118 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.593 4.270 0.989 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.433 4.019 -0.517 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.440 4.803 0.037 1.00 0.00 C ATOM 0 H PHE A 94 -4.895 0.986 3.635 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.606 1.099 2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.904 0.275 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.410 0.174 0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.074 2.543 2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.352 2.094 -0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.816 4.881 1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.097 4.433 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.326 5.831 -0.274 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.209 -1.216 3.130 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.619 -2.589 3.397 1.00 0.00 C ATOM 1305 C ARG A 95 -8.473 -3.454 2.148 1.00 0.00 C ATOM 1306 O ARG A 95 -8.975 -3.107 1.079 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.067 -2.626 3.889 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.370 -3.800 4.806 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.271 -5.124 4.065 1.00 0.00 C ATOM 1310 NE ARG A 95 -11.006 -5.101 2.803 1.00 0.00 N ATOM 1311 CZ ARG A 95 -12.328 -5.201 2.720 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -13.057 -5.330 3.820 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -12.924 -5.172 1.535 1.00 0.00 N ATOM 0 H ARG A 95 -8.963 -0.532 3.188 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.968 -2.990 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.286 -1.698 4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.733 -2.668 3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.673 -3.798 5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.371 -3.689 5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.223 -5.353 3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.660 -5.923 4.696 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.475 -5.003 1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.603 -5.353 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.072 -5.407 3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.367 -5.073 0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.939 -5.249 1.473 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.781 -4.580 2.291 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.569 -5.494 1.175 1.00 0.00 C ATOM 1329 C VAL A 96 -7.838 -6.936 1.588 1.00 0.00 C ATOM 1330 O VAL A 96 -7.166 -7.496 2.454 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.134 -5.387 0.627 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -6.008 -6.139 -0.689 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.735 -3.929 0.459 1.00 0.00 C ATOM 0 H VAL A 96 -7.358 -4.881 3.169 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.271 -5.207 0.392 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.454 -5.845 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.987 -6.052 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.249 -7.190 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.698 -5.714 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.718 -3.872 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.417 -3.443 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.783 -3.425 1.424 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.846 -7.555 0.954 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.227 -8.942 1.238 1.00 0.00 C ATOM 1345 C PRO A 97 -8.180 -9.941 0.756 1.00 0.00 C ATOM 1346 O PRO A 97 -8.041 -10.180 -0.443 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.532 -9.118 0.458 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.452 -8.120 -0.645 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.689 -6.949 -0.089 1.00 0.00 C ATOM 0 HA PRO A 97 -9.325 -9.127 2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.627 -10.132 0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.400 -8.938 1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.945 -8.539 -1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.447 -7.818 -0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.089 -6.459 -0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.357 -6.193 0.323 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.446 -10.522 1.700 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.412 -11.497 1.372 1.00 0.00 C ATOM 1359 C VAL A 98 -6.970 -12.916 1.389 1.00 0.00 C ATOM 1360 O VAL A 98 -7.241 -13.476 2.452 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.228 -11.411 2.352 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.238 -12.537 2.095 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.545 -10.055 2.244 1.00 0.00 C ATOM 0 H VAL A 98 -7.548 -10.335 2.697 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.060 -11.260 0.368 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.610 -11.521 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.408 -12.459 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.737 -13.497 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.859 -12.462 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.710 -10.011 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.175 -9.914 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.260 -9.268 2.482 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.138 -13.494 0.205 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.662 -14.849 0.082 1.00 0.00 C ATOM 1375 C LYS A 99 -6.527 -15.865 -0.008 1.00 0.00 C ATOM 1376 O LYS A 99 -5.382 -15.508 -0.285 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.560 -14.961 -1.152 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.644 -13.899 -1.215 1.00 0.00 C ATOM 1379 CD LYS A 99 -10.144 -13.696 -2.635 1.00 0.00 C ATOM 1380 CE LYS A 99 -10.907 -14.912 -3.137 1.00 0.00 C ATOM 1381 NZ LYS A 99 -11.655 -14.619 -4.390 1.00 0.00 N ATOM 0 H LYS A 99 -6.919 -13.045 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.251 -15.066 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.943 -14.891 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.027 -15.946 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.476 -14.189 -0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.255 -12.957 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.790 -12.819 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.299 -13.498 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.210 -15.731 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.603 -15.247 -2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.162 -15.473 -4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.339 -13.855 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.988 -14.324 -5.132 1.00 0.00 H new