USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 970 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 Single : A 10 ASN :FLIP amide:sc= -0.112 F(o=-2.6,f=-0.11) USER MOD Single : A 12 TYR OH : rot -177:sc= 0.0098 USER MOD Single : A 14 TYR OH : rot -45:sc=-0.00066 USER MOD Single : A 17 ASN : amide:sc= -0.809! K(o=-0.81!,f=-2) USER MOD Single : A 19 ASN : amide:sc= -2.56 K(o=-2.6,f=-10!) USER MOD Single : A 23 THR OG1 : rot -120:sc= -0.279 USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00236 USER MOD Single : A 32 SER OG : rot 20:sc= 0.609 USER MOD Single : A 34 TYR OH : rot 71:sc= 1.29 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -158:sc= 1.07 USER MOD Single : A 52 GLN : amide:sc= -0.204 K(o=-0.2,f=-8.6!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -156:sc= 0.187 USER MOD Single : A 62 GLN : amide:sc= -0.0651 K(o=-0.065,f=-0.87) USER MOD Single : A 64 SER OG : rot -120:sc= 1.39 USER MOD Single : A 65 THR OG1 : rot 97:sc= 0.995 USER MOD Single : A 71 ASN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.909 K(o=-0.91,f=-9!) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= -0.0292 (180deg=-0.184) USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= 2.06 (180deg=1.9) USER MOD Single : A 86 HIS : no HE2:sc= -0.133 K(o=-0.13,f=-5.2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 154:sc= 0.0188 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0181 K(o=-0.018,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.14) USER MOD Single : A 98 TYR OH : rot 69:sc= 2.1 USER MOD Single : A 99 TYR OH : rot 151:sc= 0.251 USER MOD Single : A 103 LYS NZ :NH3+ 143:sc= -0.305 (180deg=-1.03) USER MOD Single : B 209 MET CE :methyl 143:sc= -1.79! (180deg=-4.27!) USER MOD Single : B 213 SER OG : rot 108:sc= 0.464 USER MOD Single : B 215 SER OG : rot 150:sc= -0.534 USER MOD Single : C 317 SER OG : rot -179:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 4.148 3.721 -7.474 1.00 0.00 N ATOM 129 CA ASN A 10 5.222 4.544 -6.986 1.00 0.00 C ATOM 130 C ASN A 10 4.717 5.918 -6.538 1.00 0.00 C ATOM 131 O ASN A 10 4.191 6.703 -7.332 1.00 0.00 O ATOM 132 CB ASN A 10 6.344 4.615 -8.046 1.00 0.00 C ATOM 133 CG ASN A 10 5.876 4.977 -9.468 1.00 0.00 C ATOM 134 OD1 ASN A 10 6.783 5.416 -10.276 1.00 0.00 O flip ATOM 135 ND2 ASN A 10 4.718 4.776 -9.855 1.00 0.00 N flip ATOM 0 HA ASN A 10 5.650 4.091 -6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.081 5.351 -7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.851 3.651 -8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.015 4.429 -9.202 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.466 4.957 -10.827 1.00 0.00 H new ATOM 142 N ALA A 11 4.883 6.186 -5.242 1.00 0.00 N ATOM 143 CA ALA A 11 4.321 7.377 -4.583 1.00 0.00 C ATOM 144 C ALA A 11 5.246 8.603 -4.576 1.00 0.00 C ATOM 145 O ALA A 11 4.902 9.631 -4.000 1.00 0.00 O ATOM 146 CB ALA A 11 3.922 7.027 -3.157 1.00 0.00 C ATOM 0 H ALA A 11 5.413 5.583 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 11 3.454 7.666 -5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.506 7.908 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.174 6.234 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.799 6.688 -2.607 1.00 0.00 H new ATOM 152 N TYR A 12 6.401 8.497 -5.174 1.00 0.00 N ATOM 153 CA TYR A 12 7.303 9.632 -5.245 1.00 0.00 C ATOM 154 C TYR A 12 7.321 10.195 -6.633 1.00 0.00 C ATOM 155 O TYR A 12 7.251 9.450 -7.617 1.00 0.00 O ATOM 156 CB TYR A 12 8.732 9.281 -4.806 1.00 0.00 C ATOM 157 CG TYR A 12 8.965 9.276 -3.310 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.707 8.156 -2.537 1.00 0.00 C ATOM 159 CD2 TYR A 12 9.475 10.406 -2.679 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.949 8.163 -1.173 1.00 0.00 C ATOM 161 CE2 TYR A 12 9.717 10.423 -1.320 1.00 0.00 C ATOM 162 CZ TYR A 12 9.453 9.301 -0.570 1.00 0.00 C ATOM 163 OH TYR A 12 9.712 9.302 0.793 1.00 0.00 O ATOM 0 H TYR A 12 6.745 7.646 -5.619 1.00 0.00 H new ATOM 0 HA TYR A 12 6.925 10.380 -4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.984 8.296 -5.200 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.420 9.993 -5.262 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.312 7.266 -3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.686 11.289 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.745 7.282 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.111 11.311 -0.849 1.00 0.00 H new ATOM 0 HH TYR A 12 10.018 10.192 1.067 1.00 0.00 H new ATOM 173 N ILE A 13 7.387 11.484 -6.727 1.00 0.00 N ATOM 174 CA ILE A 13 7.465 12.121 -7.999 1.00 0.00 C ATOM 175 C ILE A 13 8.850 12.648 -8.282 1.00 0.00 C ATOM 176 O ILE A 13 9.502 13.252 -7.423 1.00 0.00 O ATOM 177 CB ILE A 13 6.385 13.204 -8.232 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.333 14.216 -7.075 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.036 12.556 -8.493 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.281 15.289 -7.228 1.00 0.00 C ATOM 0 H ILE A 13 7.388 12.120 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 13 7.249 11.335 -8.723 1.00 0.00 H new ATOM 0 HB ILE A 13 6.657 13.774 -9.121 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.151 13.677 -6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.309 14.692 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.286 13.330 -8.655 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.102 11.923 -9.378 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.751 11.949 -7.633 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.316 15.958 -6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.471 15.858 -8.138 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.296 14.827 -7.289 1.00 0.00 H new ATOM 192 N TYR A 14 9.278 12.366 -9.471 1.00 0.00 N ATOM 193 CA TYR A 14 10.554 12.738 -10.010 1.00 0.00 C ATOM 194 C TYR A 14 10.449 14.092 -10.647 1.00 0.00 C ATOM 195 O TYR A 14 9.654 14.285 -11.541 1.00 0.00 O ATOM 196 CB TYR A 14 10.967 11.681 -11.066 1.00 0.00 C ATOM 197 CG TYR A 14 12.044 12.101 -12.060 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.392 11.989 -11.760 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.687 12.591 -13.318 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.355 12.353 -12.683 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.633 12.961 -14.240 1.00 0.00 C ATOM 202 CZ TYR A 14 13.972 12.840 -13.921 1.00 0.00 C ATOM 203 OH TYR A 14 14.935 13.197 -14.843 1.00 0.00 O ATOM 0 H TYR A 14 8.713 11.837 -10.135 1.00 0.00 H new ATOM 0 HA TYR A 14 11.304 12.780 -9.220 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.315 10.791 -10.541 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.078 11.393 -11.627 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.694 11.613 -10.794 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.641 12.681 -13.571 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.403 12.258 -12.439 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.334 13.343 -15.205 1.00 0.00 H new ATOM 0 HH TYR A 14 15.635 13.719 -14.399 1.00 0.00 H new ATOM 213 N ILE A 15 11.205 15.009 -10.172 1.00 0.00 N ATOM 214 CA ILE A 15 11.278 16.312 -10.761 1.00 0.00 C ATOM 215 C ILE A 15 12.642 16.376 -11.420 1.00 0.00 C ATOM 216 O ILE A 15 13.651 16.432 -10.733 1.00 0.00 O ATOM 217 CB ILE A 15 11.174 17.418 -9.684 1.00 0.00 C ATOM 218 CG1 ILE A 15 10.003 17.123 -8.728 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.964 18.767 -10.365 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.953 18.027 -7.512 1.00 0.00 C ATOM 0 H ILE A 15 11.802 14.885 -9.354 1.00 0.00 H new ATOM 0 HA ILE A 15 10.461 16.472 -11.464 1.00 0.00 H new ATOM 0 HB ILE A 15 12.097 17.443 -9.104 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.067 17.219 -9.277 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.072 16.087 -8.395 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.890 19.549 -9.609 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.807 18.977 -11.023 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.045 18.740 -10.950 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.100 17.754 -6.890 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.872 17.914 -6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.851 19.064 -7.833 1.00 0.00 H new ATOM 232 N GLY A 16 12.685 16.326 -12.726 1.00 0.00 N ATOM 233 CA GLY A 16 13.965 16.192 -13.385 1.00 0.00 C ATOM 234 C GLY A 16 14.371 17.336 -14.264 1.00 0.00 C ATOM 235 O GLY A 16 15.130 17.143 -15.224 1.00 0.00 O ATOM 0 H GLY A 16 11.875 16.374 -13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.732 16.055 -12.623 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.948 15.284 -13.988 1.00 0.00 H new ATOM 239 N ASN A 17 13.894 18.510 -13.974 1.00 0.00 N ATOM 240 CA ASN A 17 14.308 19.670 -14.736 1.00 0.00 C ATOM 241 C ASN A 17 14.160 20.920 -13.917 1.00 0.00 C ATOM 242 O ASN A 17 13.209 21.684 -14.069 1.00 0.00 O ATOM 243 CB ASN A 17 13.586 19.810 -16.089 1.00 0.00 C ATOM 244 CG ASN A 17 14.219 20.881 -16.978 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.425 21.122 -16.926 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.426 21.538 -17.776 1.00 0.00 N ATOM 0 H ASN A 17 13.226 18.698 -13.227 1.00 0.00 H new ATOM 0 HA ASN A 17 15.361 19.519 -14.974 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.605 18.852 -16.609 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.539 20.058 -15.915 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.801 22.272 -18.377 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.430 21.318 -17.800 1.00 0.00 H new ATOM 253 N LEU A 18 15.036 21.055 -12.977 1.00 0.00 N ATOM 254 CA LEU A 18 15.117 22.221 -12.145 1.00 0.00 C ATOM 255 C LEU A 18 16.431 22.885 -12.433 1.00 0.00 C ATOM 256 O LEU A 18 17.296 22.287 -13.066 1.00 0.00 O ATOM 257 CB LEU A 18 15.035 21.842 -10.654 1.00 0.00 C ATOM 258 CG LEU A 18 13.726 21.218 -10.179 1.00 0.00 C ATOM 259 CD1 LEU A 18 13.837 20.816 -8.723 1.00 0.00 C ATOM 260 CD2 LEU A 18 12.562 22.180 -10.370 1.00 0.00 C ATOM 0 H LEU A 18 15.734 20.344 -12.757 1.00 0.00 H new ATOM 0 HA LEU A 18 14.284 22.891 -12.358 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.844 21.145 -10.435 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.219 22.740 -10.064 1.00 0.00 H new ATOM 0 HG LEU A 18 13.535 20.329 -10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.897 20.372 -8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.641 20.090 -8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.053 21.697 -8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.641 21.710 -10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.744 23.089 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.466 22.430 -11.427 1.00 0.00 H new ATOM 272 N ASN A 19 16.568 24.102 -12.035 1.00 0.00 N ATOM 273 CA ASN A 19 17.811 24.814 -12.207 1.00 0.00 C ATOM 274 C ASN A 19 18.574 24.808 -10.882 1.00 0.00 C ATOM 275 O ASN A 19 18.012 24.427 -9.850 1.00 0.00 O ATOM 276 CB ASN A 19 17.585 26.248 -12.714 1.00 0.00 C ATOM 277 CG ASN A 19 16.625 27.014 -11.871 1.00 0.00 C ATOM 278 OD1 ASN A 19 16.985 27.554 -10.840 1.00 0.00 O ATOM 279 ND2 ASN A 19 15.403 27.116 -12.329 1.00 0.00 N ATOM 0 H ASN A 19 15.831 24.641 -11.581 1.00 0.00 H new ATOM 0 HA ASN A 19 18.403 24.308 -12.970 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.539 26.774 -12.739 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.214 26.212 -13.738 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.711 27.664 -11.818 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.143 26.648 -13.197 1.00 0.00 H new ATOM 286 N ARG A 20 19.824 25.251 -10.901 1.00 0.00 N ATOM 287 CA ARG A 20 20.698 25.239 -9.698 1.00 0.00 C ATOM 288 C ARG A 20 20.257 26.231 -8.601 1.00 0.00 C ATOM 289 O ARG A 20 20.772 26.179 -7.480 1.00 0.00 O ATOM 290 CB ARG A 20 22.177 25.527 -10.072 1.00 0.00 C ATOM 291 CG ARG A 20 23.059 24.329 -10.496 1.00 0.00 C ATOM 292 CD ARG A 20 22.400 23.430 -11.518 1.00 0.00 C ATOM 293 NE ARG A 20 23.363 22.565 -12.239 1.00 0.00 N ATOM 294 CZ ARG A 20 23.884 21.397 -11.796 1.00 0.00 C ATOM 295 NH1 ARG A 20 23.713 21.011 -10.547 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 24.607 20.645 -12.611 1.00 0.00 N ATOM 0 H ARG A 20 20.273 25.629 -11.735 1.00 0.00 H new ATOM 0 HA ARG A 20 20.603 24.233 -9.290 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.182 26.251 -10.886 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.652 26.006 -9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 20 23.997 24.705 -10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.309 23.741 -9.613 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.661 22.803 -11.019 1.00 0.00 H new ATOM 0 HD3 ARG A 20 21.862 24.044 -12.240 1.00 0.00 H new ATOM 0 HE ARG A 20 23.663 22.881 -13.161 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.182 21.595 -9.901 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.111 20.128 -10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.771 20.946 -13.572 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.000 19.765 -12.278 1.00 0.00 H new ATOM 310 N GLU A 21 19.329 27.132 -8.905 1.00 0.00 N ATOM 311 CA GLU A 21 18.945 28.151 -7.926 1.00 0.00 C ATOM 312 C GLU A 21 17.844 27.604 -7.033 1.00 0.00 C ATOM 313 O GLU A 21 17.789 27.884 -5.834 1.00 0.00 O ATOM 314 CB GLU A 21 18.422 29.444 -8.596 1.00 0.00 C ATOM 315 CG GLU A 21 19.046 29.808 -9.942 1.00 0.00 C ATOM 316 CD GLU A 21 20.563 29.854 -9.952 1.00 0.00 C ATOM 317 OE1 GLU A 21 21.135 30.895 -9.624 1.00 0.00 O ATOM 318 OE2 GLU A 21 21.210 28.850 -10.336 1.00 0.00 O1- ATOM 0 H GLU A 21 18.837 27.182 -9.797 1.00 0.00 H new ATOM 0 HA GLU A 21 19.839 28.397 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.345 29.347 -8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 21 18.582 30.275 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.714 29.085 -10.687 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.666 30.782 -10.251 1.00 0.00 H new ATOM 325 N LEU A 22 16.963 26.831 -7.643 1.00 0.00 N ATOM 326 CA LEU A 22 15.821 26.260 -6.964 1.00 0.00 C ATOM 327 C LEU A 22 16.235 25.286 -5.872 1.00 0.00 C ATOM 328 O LEU A 22 16.900 24.272 -6.122 1.00 0.00 O ATOM 329 CB LEU A 22 14.910 25.559 -7.977 1.00 0.00 C ATOM 330 CG LEU A 22 14.362 26.453 -9.088 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.518 25.685 -10.050 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.560 27.575 -8.517 1.00 0.00 C ATOM 0 H LEU A 22 17.023 26.582 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 22 15.279 27.076 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.464 24.739 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.070 25.117 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 22 15.221 26.855 -9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.147 26.356 -10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.115 24.896 -10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.675 25.241 -9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.180 28.199 -9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.724 27.171 -7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.190 28.176 -7.861 1.00 0.00 H new ATOM 344 N THR A 23 15.864 25.623 -4.675 1.00 0.00 N ATOM 345 CA THR A 23 16.083 24.802 -3.530 1.00 0.00 C ATOM 346 C THR A 23 14.735 24.277 -2.997 1.00 0.00 C ATOM 347 O THR A 23 13.674 24.699 -3.478 1.00 0.00 O ATOM 348 CB THR A 23 16.937 25.546 -2.447 1.00 0.00 C ATOM 349 OG1 THR A 23 17.025 24.810 -1.230 1.00 0.00 O ATOM 350 CG2 THR A 23 16.402 26.915 -2.152 1.00 0.00 C ATOM 0 H THR A 23 15.388 26.500 -4.465 1.00 0.00 H new ATOM 0 HA THR A 23 16.675 23.932 -3.816 1.00 0.00 H new ATOM 0 HB THR A 23 17.935 25.639 -2.875 1.00 0.00 H new ATOM 0 HG1 THR A 23 16.648 25.342 -0.498 1.00 0.00 H new ATOM 0 HG21 THR A 23 17.025 27.394 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 23 16.412 27.514 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.380 26.834 -1.782 1.00 0.00 H new ATOM 358 N GLU A 24 14.799 23.409 -1.991 1.00 0.00 N ATOM 359 CA GLU A 24 13.647 22.704 -1.369 1.00 0.00 C ATOM 360 C GLU A 24 12.504 23.649 -1.062 1.00 0.00 C ATOM 361 O GLU A 24 11.354 23.372 -1.380 1.00 0.00 O ATOM 362 CB GLU A 24 14.107 22.125 -0.060 1.00 0.00 C ATOM 363 CG GLU A 24 15.311 21.254 -0.184 1.00 0.00 C ATOM 364 CD GLU A 24 16.128 21.314 1.049 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.706 22.395 1.313 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 16.244 20.317 1.742 1.00 0.00 O ATOM 0 H GLU A 24 15.687 23.157 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 24 13.299 21.943 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.327 22.939 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.294 21.546 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.004 20.225 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.909 21.571 -1.038 1.00 0.00 H new ATOM 373 N GLY A 25 12.853 24.775 -0.464 1.00 0.00 N ATOM 374 CA GLY A 25 11.873 25.753 -0.051 1.00 0.00 C ATOM 375 C GLY A 25 11.064 26.297 -1.203 1.00 0.00 C ATOM 376 O GLY A 25 9.867 26.526 -1.067 1.00 0.00 O ATOM 0 H GLY A 25 13.818 25.032 -0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.200 25.300 0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.379 26.577 0.452 1.00 0.00 H new ATOM 380 N ASP A 26 11.696 26.449 -2.351 1.00 0.00 N ATOM 381 CA ASP A 26 11.024 27.025 -3.499 1.00 0.00 C ATOM 382 C ASP A 26 10.180 25.985 -4.170 1.00 0.00 C ATOM 383 O ASP A 26 9.090 26.265 -4.681 1.00 0.00 O ATOM 384 CB ASP A 26 12.003 27.559 -4.489 1.00 0.00 C ATOM 385 CG ASP A 26 11.350 28.584 -5.344 1.00 0.00 C ATOM 386 OD1 ASP A 26 10.906 29.624 -4.793 1.00 0.00 O1- ATOM 387 OD2 ASP A 26 11.307 28.414 -6.538 1.00 0.00 O ATOM 0 H ASP A 26 12.667 26.184 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 26 10.402 27.845 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.856 27.996 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.387 26.748 -5.108 1.00 0.00 H new ATOM 392 N ILE A 27 10.682 24.770 -4.141 1.00 0.00 N ATOM 393 CA ILE A 27 9.971 23.618 -4.653 1.00 0.00 C ATOM 394 C ILE A 27 8.668 23.471 -3.863 1.00 0.00 C ATOM 395 O ILE A 27 7.615 23.154 -4.415 1.00 0.00 O ATOM 396 CB ILE A 27 10.860 22.354 -4.522 1.00 0.00 C ATOM 397 CG1 ILE A 27 12.154 22.568 -5.321 1.00 0.00 C ATOM 398 CG2 ILE A 27 10.126 21.109 -5.013 1.00 0.00 C ATOM 399 CD1 ILE A 27 13.227 21.538 -5.067 1.00 0.00 C ATOM 0 H ILE A 27 11.602 24.552 -3.759 1.00 0.00 H new ATOM 0 HA ILE A 27 9.735 23.745 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 27 11.100 22.197 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.913 22.568 -6.384 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.553 23.555 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.775 20.239 -4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.223 20.961 -4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.855 21.236 -6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.103 21.768 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.502 21.551 -4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.852 20.549 -5.332 1.00 0.00 H new ATOM 411 N LEU A 28 8.745 23.777 -2.580 1.00 0.00 N ATOM 412 CA LEU A 28 7.586 23.802 -1.720 1.00 0.00 C ATOM 413 C LEU A 28 6.635 24.918 -2.135 1.00 0.00 C ATOM 414 O LEU A 28 5.441 24.714 -2.164 1.00 0.00 O ATOM 415 CB LEU A 28 7.990 23.948 -0.252 1.00 0.00 C ATOM 416 CG LEU A 28 8.789 22.785 0.338 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.213 23.090 1.753 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.973 21.508 0.300 1.00 0.00 C ATOM 0 H LEU A 28 9.618 24.015 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 28 7.066 22.850 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.579 24.859 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.086 24.081 0.342 1.00 0.00 H new ATOM 0 HG LEU A 28 9.685 22.647 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.780 22.249 2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.836 23.984 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.330 23.258 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.557 20.691 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.061 21.642 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.714 21.272 -0.732 1.00 0.00 H new ATOM 430 N THR A 29 7.173 26.080 -2.493 1.00 0.00 N ATOM 431 CA THR A 29 6.360 27.208 -2.962 1.00 0.00 C ATOM 432 C THR A 29 5.516 26.795 -4.194 1.00 0.00 C ATOM 433 O THR A 29 4.368 27.250 -4.378 1.00 0.00 O ATOM 434 CB THR A 29 7.259 28.414 -3.350 1.00 0.00 C ATOM 435 OG1 THR A 29 8.156 28.720 -2.282 1.00 0.00 O ATOM 436 CG2 THR A 29 6.416 29.646 -3.654 1.00 0.00 C ATOM 0 H THR A 29 8.175 26.270 -2.468 1.00 0.00 H new ATOM 0 HA THR A 29 5.699 27.499 -2.146 1.00 0.00 H new ATOM 0 HB THR A 29 7.822 28.138 -4.242 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.720 29.480 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.069 30.476 -3.923 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.743 29.430 -4.484 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.832 29.914 -2.773 1.00 0.00 H new ATOM 444 N VAL A 30 6.084 25.949 -5.034 1.00 0.00 N ATOM 445 CA VAL A 30 5.381 25.460 -6.196 1.00 0.00 C ATOM 446 C VAL A 30 4.426 24.323 -5.817 1.00 0.00 C ATOM 447 O VAL A 30 3.222 24.429 -5.993 1.00 0.00 O ATOM 448 CB VAL A 30 6.351 24.984 -7.322 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.578 24.520 -8.551 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.315 26.090 -7.711 1.00 0.00 C ATOM 0 H VAL A 30 7.032 25.588 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 30 4.806 26.299 -6.588 1.00 0.00 H new ATOM 0 HB VAL A 30 6.921 24.142 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.279 24.194 -9.320 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.926 23.690 -8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.976 25.344 -8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.980 25.733 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.754 26.951 -8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.904 26.381 -6.842 1.00 0.00 H new ATOM 460 N PHE A 31 4.965 23.291 -5.229 1.00 0.00 N ATOM 461 CA PHE A 31 4.216 22.077 -4.964 1.00 0.00 C ATOM 462 C PHE A 31 3.197 22.180 -3.824 1.00 0.00 C ATOM 463 O PHE A 31 2.259 21.408 -3.781 1.00 0.00 O ATOM 464 CB PHE A 31 5.156 20.877 -4.789 1.00 0.00 C ATOM 465 CG PHE A 31 5.814 20.426 -6.082 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.789 21.196 -6.698 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.449 19.234 -6.676 1.00 0.00 C ATOM 468 CE1 PHE A 31 7.378 20.790 -7.876 1.00 0.00 C ATOM 469 CE2 PHE A 31 6.039 18.821 -7.856 1.00 0.00 C ATOM 470 CZ PHE A 31 7.002 19.602 -8.456 1.00 0.00 C ATOM 0 H PHE A 31 5.936 23.260 -4.917 1.00 0.00 H new ATOM 0 HA PHE A 31 3.605 21.917 -5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.931 21.136 -4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.593 20.044 -4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.092 22.129 -6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.693 18.617 -6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.134 21.404 -8.343 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.745 17.885 -8.308 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.460 19.282 -9.380 1.00 0.00 H new ATOM 480 N SER A 32 3.330 23.144 -2.939 1.00 0.00 N ATOM 481 CA SER A 32 2.380 23.275 -1.836 1.00 0.00 C ATOM 482 C SER A 32 0.998 23.751 -2.341 1.00 0.00 C ATOM 483 O SER A 32 0.022 23.775 -1.594 1.00 0.00 O ATOM 484 CB SER A 32 2.919 24.164 -0.698 1.00 0.00 C ATOM 485 OG SER A 32 2.123 24.051 0.482 1.00 0.00 O ATOM 0 H SER A 32 4.072 23.843 -2.953 1.00 0.00 H new ATOM 0 HA SER A 32 2.248 22.282 -1.407 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.947 23.882 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.938 25.203 -1.026 1.00 0.00 H new ATOM 0 HG SER A 32 1.604 23.221 0.448 1.00 0.00 H new ATOM 491 N GLU A 33 0.936 24.123 -3.608 1.00 0.00 N ATOM 492 CA GLU A 33 -0.297 24.549 -4.252 1.00 0.00 C ATOM 493 C GLU A 33 -1.349 23.408 -4.217 1.00 0.00 C ATOM 494 O GLU A 33 -2.551 23.657 -4.223 1.00 0.00 O ATOM 495 CB GLU A 33 0.024 24.955 -5.698 1.00 0.00 C ATOM 496 CG GLU A 33 -1.114 25.595 -6.480 1.00 0.00 C ATOM 497 CD GLU A 33 -0.666 26.041 -7.855 1.00 0.00 C ATOM 498 OE1 GLU A 33 0.103 27.027 -7.938 1.00 0.00 O1- ATOM 499 OE2 GLU A 33 -1.041 25.402 -8.853 1.00 0.00 O ATOM 0 H GLU A 33 1.748 24.138 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.720 25.401 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.863 25.651 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.356 24.068 -6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.934 24.884 -6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.499 26.452 -5.927 1.00 0.00 H new ATOM 506 N TYR A 34 -0.881 22.161 -4.118 1.00 0.00 N ATOM 507 CA TYR A 34 -1.781 21.008 -4.134 1.00 0.00 C ATOM 508 C TYR A 34 -1.723 20.243 -2.820 1.00 0.00 C ATOM 509 O TYR A 34 -2.044 19.068 -2.772 1.00 0.00 O ATOM 510 CB TYR A 34 -1.427 20.078 -5.304 1.00 0.00 C ATOM 511 CG TYR A 34 -1.330 20.809 -6.603 1.00 0.00 C ATOM 512 CD1 TYR A 34 -2.433 21.446 -7.136 1.00 0.00 C ATOM 513 CD2 TYR A 34 -0.122 20.919 -7.264 1.00 0.00 C ATOM 514 CE1 TYR A 34 -2.339 22.161 -8.296 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.017 21.644 -8.420 1.00 0.00 C ATOM 516 CZ TYR A 34 -1.126 22.258 -8.937 1.00 0.00 C ATOM 517 OH TYR A 34 -1.016 23.015 -10.073 1.00 0.00 O ATOM 0 H TYR A 34 0.107 21.926 -4.027 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.799 21.376 -4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.478 19.583 -5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.183 19.297 -5.385 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.384 21.378 -6.628 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.751 20.426 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.211 22.647 -8.707 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.935 21.731 -8.922 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.088 23.965 -9.842 1.00 0.00 H new ATOM 527 N GLY A 35 -1.322 20.910 -1.766 1.00 0.00 N ATOM 528 CA GLY A 35 -1.286 20.275 -0.466 1.00 0.00 C ATOM 529 C GLY A 35 0.012 20.531 0.270 1.00 0.00 C ATOM 530 O GLY A 35 0.778 21.434 -0.090 1.00 0.00 O ATOM 0 H GLY A 35 -1.018 21.884 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.119 20.639 0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.426 19.201 -0.586 1.00 0.00 H new ATOM 534 N VAL A 36 0.250 19.780 1.308 1.00 0.00 N ATOM 535 CA VAL A 36 1.461 19.906 2.077 1.00 0.00 C ATOM 536 C VAL A 36 2.319 18.657 1.857 1.00 0.00 C ATOM 537 O VAL A 36 1.876 17.540 2.144 1.00 0.00 O ATOM 538 CB VAL A 36 1.179 20.069 3.605 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.469 20.376 4.354 1.00 0.00 C ATOM 540 CG2 VAL A 36 0.147 21.153 3.870 1.00 0.00 C ATOM 0 H VAL A 36 -0.390 19.061 1.647 1.00 0.00 H new ATOM 0 HA VAL A 36 1.979 20.804 1.740 1.00 0.00 H new ATOM 0 HB VAL A 36 0.773 19.125 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.255 20.487 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.177 19.560 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.900 21.302 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.024 21.238 4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.512 22.105 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.788 20.894 3.373 1.00 0.00 H new ATOM 550 N PRO A 37 3.510 18.814 1.268 1.00 0.00 N ATOM 551 CA PRO A 37 4.455 17.706 1.079 1.00 0.00 C ATOM 552 C PRO A 37 4.962 17.135 2.404 1.00 0.00 C ATOM 553 O PRO A 37 5.439 17.870 3.264 1.00 0.00 O ATOM 554 CB PRO A 37 5.611 18.351 0.301 1.00 0.00 C ATOM 555 CG PRO A 37 5.010 19.560 -0.320 1.00 0.00 C ATOM 556 CD PRO A 37 4.025 20.061 0.684 1.00 0.00 C ATOM 0 HA PRO A 37 3.991 16.864 0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.437 18.613 0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.009 17.673 -0.454 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.769 20.311 -0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.523 19.318 -1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.496 20.697 1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.234 20.649 0.219 1.00 0.00 H new ATOM 564 N VAL A 38 4.852 15.823 2.552 1.00 0.00 N ATOM 565 CA VAL A 38 5.325 15.133 3.754 1.00 0.00 C ATOM 566 C VAL A 38 6.759 14.679 3.531 1.00 0.00 C ATOM 567 O VAL A 38 7.511 14.344 4.473 1.00 0.00 O ATOM 568 CB VAL A 38 4.435 13.888 4.111 1.00 0.00 C ATOM 569 CG1 VAL A 38 2.997 14.293 4.361 1.00 0.00 C ATOM 570 CG2 VAL A 38 4.486 12.823 3.029 1.00 0.00 C ATOM 0 H VAL A 38 4.437 15.207 1.853 1.00 0.00 H new ATOM 0 HA VAL A 38 5.264 15.832 4.589 1.00 0.00 H new ATOM 0 HB VAL A 38 4.848 13.464 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.407 13.409 4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.957 14.997 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.591 14.764 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.857 11.981 3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.125 13.241 2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.513 12.482 2.903 1.00 0.00 H new ATOM 580 N ASP A 39 7.128 14.673 2.275 1.00 0.00 N ATOM 581 CA ASP A 39 8.412 14.238 1.831 1.00 0.00 C ATOM 582 C ASP A 39 8.866 15.094 0.680 1.00 0.00 C ATOM 583 O ASP A 39 8.140 15.267 -0.298 1.00 0.00 O ATOM 584 CB ASP A 39 8.347 12.779 1.354 1.00 0.00 C ATOM 585 CG ASP A 39 8.299 11.745 2.441 1.00 0.00 C ATOM 586 OD1 ASP A 39 9.352 11.389 2.971 1.00 0.00 O ATOM 587 OD2 ASP A 39 7.217 11.224 2.758 1.00 0.00 O1- ATOM 0 H ASP A 39 6.519 14.981 1.517 1.00 0.00 H new ATOM 0 HA ASP A 39 9.110 14.321 2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.465 12.660 0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.216 12.581 0.727 1.00 0.00 H new ATOM 592 N VAL A 40 10.019 15.664 0.807 1.00 0.00 N ATOM 593 CA VAL A 40 10.638 16.381 -0.269 1.00 0.00 C ATOM 594 C VAL A 40 12.123 16.272 -0.092 1.00 0.00 C ATOM 595 O VAL A 40 12.627 16.431 1.001 1.00 0.00 O ATOM 596 CB VAL A 40 10.185 17.887 -0.389 1.00 0.00 C ATOM 597 CG1 VAL A 40 10.466 18.677 0.875 1.00 0.00 C ATOM 598 CG2 VAL A 40 10.838 18.564 -1.592 1.00 0.00 C ATOM 0 H VAL A 40 10.567 15.647 1.667 1.00 0.00 H new ATOM 0 HA VAL A 40 10.317 15.929 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 40 9.105 17.876 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.136 19.707 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.928 18.229 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.536 18.663 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.507 19.601 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.922 18.534 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.551 18.041 -2.504 1.00 0.00 H new ATOM 608 N ILE A 41 12.792 15.893 -1.125 1.00 0.00 N ATOM 609 CA ILE A 41 14.220 15.782 -1.111 1.00 0.00 C ATOM 610 C ILE A 41 14.766 16.245 -2.420 1.00 0.00 C ATOM 611 O ILE A 41 14.346 15.794 -3.489 1.00 0.00 O ATOM 612 CB ILE A 41 14.798 14.355 -0.750 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.181 13.191 -1.583 1.00 0.00 C ATOM 614 CG2 ILE A 41 14.721 14.073 0.745 1.00 0.00 C ATOM 615 CD1 ILE A 41 12.725 12.852 -1.273 1.00 0.00 C ATOM 0 H ILE A 41 12.363 15.647 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 41 14.550 16.421 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 41 15.850 14.393 -1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.258 13.445 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 41 14.784 12.297 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.128 13.083 0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.298 14.822 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.681 14.112 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.399 12.029 -1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.634 12.559 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.100 13.725 -1.461 1.00 0.00 H new ATOM 627 N LEU A 42 15.661 17.152 -2.347 1.00 0.00 N ATOM 628 CA LEU A 42 16.252 17.716 -3.511 1.00 0.00 C ATOM 629 C LEU A 42 17.462 16.867 -3.812 1.00 0.00 C ATOM 630 O LEU A 42 18.254 16.581 -2.905 1.00 0.00 O ATOM 631 CB LEU A 42 16.711 19.142 -3.182 1.00 0.00 C ATOM 632 CG LEU A 42 16.813 20.193 -4.314 1.00 0.00 C ATOM 633 CD1 LEU A 42 17.570 21.380 -3.808 1.00 0.00 C ATOM 634 CD2 LEU A 42 17.456 19.673 -5.591 1.00 0.00 C ATOM 0 H LEU A 42 16.014 17.534 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 42 15.560 17.746 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.029 19.538 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.693 19.069 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 42 15.792 20.462 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 42 17.647 22.126 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 42 17.046 21.809 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.569 21.071 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 42 17.489 20.471 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 42 18.470 19.335 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 42 16.871 18.840 -5.980 1.00 0.00 H new ATOM 646 N SER A 43 17.613 16.436 -5.029 1.00 0.00 N ATOM 647 CA SER A 43 18.782 15.724 -5.366 1.00 0.00 C ATOM 648 C SER A 43 19.839 16.750 -5.659 1.00 0.00 C ATOM 649 O SER A 43 19.830 17.445 -6.689 1.00 0.00 O ATOM 650 CB SER A 43 18.579 14.733 -6.514 1.00 0.00 C ATOM 651 OG SER A 43 19.742 13.938 -6.724 1.00 0.00 O ATOM 0 H SER A 43 16.944 16.569 -5.787 1.00 0.00 H new ATOM 0 HA SER A 43 19.086 15.088 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.729 14.087 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.338 15.276 -7.428 1.00 0.00 H new ATOM 0 HG SER A 43 19.582 13.313 -7.462 1.00 0.00 H new ATOM 657 N ARG A 44 20.669 16.907 -4.710 1.00 0.00 N ATOM 658 CA ARG A 44 21.678 17.877 -4.731 1.00 0.00 C ATOM 659 C ARG A 44 22.989 17.177 -4.510 1.00 0.00 C ATOM 660 O ARG A 44 22.994 16.005 -4.098 1.00 0.00 O ATOM 661 CB ARG A 44 21.360 18.916 -3.642 1.00 0.00 C ATOM 662 CG ARG A 44 21.310 18.352 -2.234 1.00 0.00 C ATOM 663 CD ARG A 44 20.425 19.189 -1.321 1.00 0.00 C ATOM 664 NE ARG A 44 20.800 20.605 -1.258 1.00 0.00 N ATOM 665 CZ ARG A 44 20.064 21.565 -0.682 1.00 0.00 C ATOM 666 NH1 ARG A 44 18.955 21.253 -0.021 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 20.463 22.822 -0.754 1.00 0.00 N ATOM 0 H ARG A 44 20.663 16.339 -3.863 1.00 0.00 H new ATOM 0 HA ARG A 44 21.738 18.406 -5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.112 19.704 -3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.400 19.380 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.935 17.329 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 44 22.319 18.310 -1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.393 19.112 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 44 20.459 18.770 -0.315 1.00 0.00 H new ATOM 0 HE ARG A 44 21.686 20.879 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.660 20.279 0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.398 21.987 0.416 1.00 0.00 H new ATOM 0 HH21 ARG A 44 21.326 23.056 -1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.908 23.559 -0.318 1.00 0.00 H new ATOM 681 N ASP A 45 24.064 17.841 -4.827 1.00 0.00 N ATOM 682 CA ASP A 45 25.403 17.283 -4.672 1.00 0.00 C ATOM 683 C ASP A 45 25.701 17.001 -3.188 1.00 0.00 C ATOM 684 O ASP A 45 25.251 17.740 -2.319 1.00 0.00 O ATOM 685 CB ASP A 45 26.425 18.251 -5.254 1.00 0.00 C ATOM 686 CG ASP A 45 27.828 17.747 -5.139 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.306 17.057 -6.041 1.00 0.00 O ATOM 688 OD2 ASP A 45 28.481 18.029 -4.142 1.00 0.00 O1- ATOM 0 H ASP A 45 24.050 18.789 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 45 25.463 16.337 -5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.193 18.430 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.344 19.210 -4.741 1.00 0.00 H new ATOM 693 N GLU A 46 26.458 15.957 -2.907 1.00 0.00 N ATOM 694 CA GLU A 46 26.722 15.541 -1.532 1.00 0.00 C ATOM 695 C GLU A 46 27.822 16.395 -0.871 1.00 0.00 C ATOM 696 O GLU A 46 27.881 16.519 0.361 1.00 0.00 O ATOM 697 CB GLU A 46 27.123 14.057 -1.511 1.00 0.00 C ATOM 698 CG GLU A 46 27.286 13.459 -0.120 1.00 0.00 C ATOM 699 CD GLU A 46 27.864 12.069 -0.147 1.00 0.00 C ATOM 700 OE1 GLU A 46 27.131 11.103 -0.426 1.00 0.00 O ATOM 701 OE2 GLU A 46 29.063 11.914 0.126 1.00 0.00 O1- ATOM 0 H GLU A 46 26.906 15.375 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 46 25.807 15.687 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.370 13.484 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 46 28.061 13.941 -2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.932 14.105 0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.316 13.435 0.376 1.00 0.00 H new ATOM 708 N ASN A 47 28.652 17.004 -1.676 1.00 0.00 N ATOM 709 CA ASN A 47 29.813 17.726 -1.178 1.00 0.00 C ATOM 710 C ASN A 47 29.551 19.221 -1.099 1.00 0.00 C ATOM 711 O ASN A 47 29.875 19.872 -0.104 1.00 0.00 O ATOM 712 CB ASN A 47 31.040 17.459 -2.066 1.00 0.00 C ATOM 713 CG ASN A 47 31.508 16.012 -2.054 1.00 0.00 C ATOM 714 OD1 ASN A 47 32.335 15.620 -1.234 1.00 0.00 O ATOM 715 ND2 ASN A 47 31.007 15.206 -2.958 1.00 0.00 N ATOM 0 H ASN A 47 28.551 17.019 -2.691 1.00 0.00 H new ATOM 0 HA ASN A 47 30.013 17.362 -0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 47 30.803 17.745 -3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 47 31.860 18.098 -1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 47 31.302 14.230 -2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 47 30.322 15.554 -3.628 1.00 0.00 H new ATOM 722 N THR A 48 28.987 19.768 -2.145 1.00 0.00 N ATOM 723 CA THR A 48 28.684 21.181 -2.177 1.00 0.00 C ATOM 724 C THR A 48 27.218 21.467 -1.816 1.00 0.00 C ATOM 725 O THR A 48 26.891 22.544 -1.324 1.00 0.00 O ATOM 726 CB THR A 48 29.146 21.881 -3.515 1.00 0.00 C ATOM 727 OG1 THR A 48 28.589 23.187 -3.657 1.00 0.00 O ATOM 728 CG2 THR A 48 28.836 21.062 -4.742 1.00 0.00 C ATOM 0 H THR A 48 28.727 19.258 -2.989 1.00 0.00 H new ATOM 0 HA THR A 48 29.284 21.643 -1.393 1.00 0.00 H new ATOM 0 HB THR A 48 30.230 21.968 -3.434 1.00 0.00 H new ATOM 0 HG1 THR A 48 28.900 23.586 -4.496 1.00 0.00 H new ATOM 0 HG21 THR A 48 29.177 21.594 -5.630 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.346 20.101 -4.677 1.00 0.00 H new ATOM 0 HG23 THR A 48 27.760 20.898 -4.808 1.00 0.00 H new ATOM 736 N GLY A 49 26.349 20.494 -2.024 1.00 0.00 N ATOM 737 CA GLY A 49 24.949 20.657 -1.648 1.00 0.00 C ATOM 738 C GLY A 49 24.131 21.439 -2.653 1.00 0.00 C ATOM 739 O GLY A 49 22.973 21.763 -2.399 1.00 0.00 O ATOM 0 H GLY A 49 26.579 19.594 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.501 19.672 -1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 49 24.899 21.161 -0.683 1.00 0.00 H new ATOM 743 N GLU A 50 24.706 21.706 -3.792 1.00 0.00 N ATOM 744 CA GLU A 50 24.037 22.473 -4.818 1.00 0.00 C ATOM 745 C GLU A 50 23.012 21.619 -5.560 1.00 0.00 C ATOM 746 O GLU A 50 23.184 20.400 -5.680 1.00 0.00 O ATOM 747 CB GLU A 50 25.076 23.108 -5.746 1.00 0.00 C ATOM 748 CG GLU A 50 26.029 22.126 -6.409 1.00 0.00 C ATOM 749 CD GLU A 50 25.684 21.807 -7.833 1.00 0.00 C ATOM 750 OE1 GLU A 50 26.057 22.606 -8.722 1.00 0.00 O ATOM 751 OE2 GLU A 50 25.113 20.756 -8.097 1.00 0.00 O1- ATOM 0 H GLU A 50 25.648 21.402 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 50 23.472 23.284 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.554 23.666 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.660 23.829 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.039 22.535 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.040 21.201 -5.833 1.00 0.00 H new ATOM 758 N SER A 51 21.944 22.252 -5.998 1.00 0.00 N ATOM 759 CA SER A 51 20.844 21.592 -6.658 1.00 0.00 C ATOM 760 C SER A 51 21.296 21.011 -7.988 1.00 0.00 C ATOM 761 O SER A 51 21.762 21.746 -8.850 1.00 0.00 O ATOM 762 CB SER A 51 19.739 22.622 -6.905 1.00 0.00 C ATOM 763 OG SER A 51 19.430 23.335 -5.713 1.00 0.00 O ATOM 0 H SER A 51 21.816 23.259 -5.902 1.00 0.00 H new ATOM 0 HA SER A 51 20.477 20.780 -6.030 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.055 23.321 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 51 18.845 22.120 -7.275 1.00 0.00 H new ATOM 0 HG SER A 51 18.527 23.709 -5.780 1.00 0.00 H new ATOM 769 N GLN A 52 21.153 19.696 -8.154 1.00 0.00 N ATOM 770 CA GLN A 52 21.539 19.028 -9.403 1.00 0.00 C ATOM 771 C GLN A 52 20.503 19.267 -10.481 1.00 0.00 C ATOM 772 O GLN A 52 20.753 19.057 -11.665 1.00 0.00 O ATOM 773 CB GLN A 52 21.740 17.522 -9.187 1.00 0.00 C ATOM 774 CG GLN A 52 22.911 17.172 -8.279 1.00 0.00 C ATOM 775 CD GLN A 52 24.267 17.446 -8.907 1.00 0.00 C ATOM 776 OE1 GLN A 52 24.423 18.335 -9.758 1.00 0.00 O ATOM 777 NE2 GLN A 52 25.249 16.693 -8.506 1.00 0.00 N ATOM 0 H GLN A 52 20.774 19.071 -7.443 1.00 0.00 H new ATOM 0 HA GLN A 52 22.487 19.456 -9.728 1.00 0.00 H new ATOM 0 HB2 GLN A 52 20.828 17.102 -8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.890 17.044 -10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 52 22.826 17.742 -7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 52 22.850 16.117 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 52 25.085 15.971 -7.804 1.00 0.00 H new ATOM 0 HE22 GLN A 52 26.183 16.824 -8.893 1.00 0.00 H new ATOM 786 N GLY A 53 19.354 19.738 -10.068 1.00 0.00 N ATOM 787 CA GLY A 53 18.283 19.983 -10.992 1.00 0.00 C ATOM 788 C GLY A 53 17.269 18.872 -10.968 1.00 0.00 C ATOM 789 O GLY A 53 16.327 18.854 -11.758 1.00 0.00 O ATOM 0 H GLY A 53 19.139 19.959 -9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 53 17.796 20.926 -10.745 1.00 0.00 H new ATOM 0 HA3 GLY A 53 18.687 20.087 -11.999 1.00 0.00 H new ATOM 793 N PHE A 54 17.462 17.949 -10.059 1.00 0.00 N ATOM 794 CA PHE A 54 16.574 16.831 -9.899 1.00 0.00 C ATOM 795 C PHE A 54 16.102 16.824 -8.470 1.00 0.00 C ATOM 796 O PHE A 54 16.858 17.177 -7.579 1.00 0.00 O ATOM 797 CB PHE A 54 17.297 15.508 -10.207 1.00 0.00 C ATOM 798 CG PHE A 54 17.959 15.473 -11.553 1.00 0.00 C ATOM 799 CD1 PHE A 54 17.252 15.105 -12.675 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.288 15.826 -11.690 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.853 15.090 -13.913 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.896 15.815 -12.922 1.00 0.00 C ATOM 803 CZ PHE A 54 19.178 15.448 -14.037 1.00 0.00 C ATOM 0 H PHE A 54 18.246 17.955 -9.406 1.00 0.00 H new ATOM 0 HA PHE A 54 15.736 16.924 -10.590 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.049 15.330 -9.439 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.579 14.690 -10.145 1.00 0.00 H new ATOM 0 HD1 PHE A 54 16.213 14.825 -12.583 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.856 16.114 -10.818 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.287 14.798 -14.786 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.935 16.094 -13.015 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.652 15.441 -15.007 1.00 0.00 H new ATOM 813 N ALA A 55 14.880 16.472 -8.249 1.00 0.00 N ATOM 814 CA ALA A 55 14.327 16.402 -6.917 1.00 0.00 C ATOM 815 C ALA A 55 13.263 15.338 -6.875 1.00 0.00 C ATOM 816 O ALA A 55 12.795 14.886 -7.923 1.00 0.00 O ATOM 817 CB ALA A 55 13.751 17.751 -6.499 1.00 0.00 C ATOM 0 H ALA A 55 14.222 16.220 -8.987 1.00 0.00 H new ATOM 0 HA ALA A 55 15.121 16.146 -6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.340 17.675 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.540 18.503 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.961 18.040 -7.193 1.00 0.00 H new ATOM 823 N TYR A 56 12.907 14.921 -5.694 1.00 0.00 N ATOM 824 CA TYR A 56 11.872 13.939 -5.497 1.00 0.00 C ATOM 825 C TYR A 56 10.944 14.485 -4.444 1.00 0.00 C ATOM 826 O TYR A 56 11.408 15.045 -3.440 1.00 0.00 O ATOM 827 CB TYR A 56 12.460 12.603 -5.014 1.00 0.00 C ATOM 828 CG TYR A 56 13.608 12.079 -5.849 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.393 11.544 -7.109 1.00 0.00 C ATOM 830 CD2 TYR A 56 14.913 12.134 -5.373 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.446 11.075 -7.873 1.00 0.00 C ATOM 832 CE2 TYR A 56 15.968 11.671 -6.129 1.00 0.00 C ATOM 833 CZ TYR A 56 15.730 11.142 -7.376 1.00 0.00 C ATOM 834 OH TYR A 56 16.783 10.682 -8.131 1.00 0.00 O ATOM 0 H TYR A 56 13.330 15.255 -4.828 1.00 0.00 H new ATOM 0 HA TYR A 56 11.352 13.751 -6.437 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.801 12.722 -3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.667 11.856 -5.002 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.388 11.492 -7.500 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.103 12.547 -4.393 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.264 10.659 -8.853 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.976 11.723 -5.744 1.00 0.00 H new ATOM 0 HH TYR A 56 17.619 10.803 -7.635 1.00 0.00 H new ATOM 844 N LEU A 57 9.670 14.364 -4.648 1.00 0.00 N ATOM 845 CA LEU A 57 8.730 14.892 -3.696 1.00 0.00 C ATOM 846 C LEU A 57 7.566 13.928 -3.543 1.00 0.00 C ATOM 847 O LEU A 57 7.333 13.084 -4.413 1.00 0.00 O ATOM 848 CB LEU A 57 8.288 16.312 -4.157 1.00 0.00 C ATOM 849 CG LEU A 57 7.485 17.192 -3.172 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.708 18.648 -3.500 1.00 0.00 C ATOM 851 CD2 LEU A 57 6.000 16.907 -3.271 1.00 0.00 C ATOM 0 H LEU A 57 9.253 13.908 -5.459 1.00 0.00 H new ATOM 0 HA LEU A 57 9.186 14.995 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.185 16.863 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.690 16.196 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 57 7.828 16.964 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.142 19.268 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.769 18.882 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.375 18.847 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.460 17.540 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.656 17.116 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.814 15.860 -3.033 1.00 0.00 H new ATOM 863 N LYS A 58 6.908 14.006 -2.419 1.00 0.00 N ATOM 864 CA LYS A 58 5.745 13.225 -2.119 1.00 0.00 C ATOM 865 C LYS A 58 4.818 14.026 -1.195 1.00 0.00 C ATOM 866 O LYS A 58 5.252 14.590 -0.170 1.00 0.00 O ATOM 867 CB LYS A 58 6.163 11.898 -1.489 1.00 0.00 C ATOM 868 CG LYS A 58 5.071 11.194 -0.737 1.00 0.00 C ATOM 869 CD LYS A 58 5.617 10.032 0.036 1.00 0.00 C ATOM 870 CE LYS A 58 4.612 9.570 1.047 1.00 0.00 C ATOM 871 NZ LYS A 58 5.145 8.476 1.876 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.177 14.636 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 58 5.198 13.000 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.530 11.237 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.996 12.079 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.584 11.892 -0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.309 10.846 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.863 9.216 -0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.542 10.320 0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.326 10.406 1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.709 9.235 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.425 8.180 2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.395 7.670 1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.993 8.804 2.381 1.00 0.00 H new ATOM 885 N TYR A 59 3.576 14.118 -1.584 1.00 0.00 N ATOM 886 CA TYR A 59 2.571 14.854 -0.840 1.00 0.00 C ATOM 887 C TYR A 59 1.998 14.080 0.328 1.00 0.00 C ATOM 888 O TYR A 59 2.398 12.950 0.609 1.00 0.00 O ATOM 889 CB TYR A 59 1.423 15.255 -1.734 1.00 0.00 C ATOM 890 CG TYR A 59 1.697 16.347 -2.707 1.00 0.00 C ATOM 891 CD1 TYR A 59 2.533 16.159 -3.786 1.00 0.00 C ATOM 892 CD2 TYR A 59 1.066 17.560 -2.571 1.00 0.00 C ATOM 893 CE1 TYR A 59 2.733 17.152 -4.702 1.00 0.00 C ATOM 894 CE2 TYR A 59 1.265 18.557 -3.474 1.00 0.00 C ATOM 895 CZ TYR A 59 2.095 18.351 -4.540 1.00 0.00 C ATOM 896 OH TYR A 59 2.271 19.347 -5.453 1.00 0.00 O ATOM 0 H TYR A 59 3.222 13.682 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 59 3.091 15.730 -0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.098 14.375 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.588 15.560 -1.103 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.038 15.212 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.402 17.724 -1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.388 16.992 -5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.769 19.508 -3.349 1.00 0.00 H new ATOM 0 HH TYR A 59 2.085 20.213 -5.033 1.00 0.00 H new ATOM 906 N GLU A 60 1.063 14.750 1.006 1.00 0.00 N ATOM 907 CA GLU A 60 0.246 14.226 2.097 1.00 0.00 C ATOM 908 C GLU A 60 -0.327 12.872 1.715 1.00 0.00 C ATOM 909 O GLU A 60 -0.371 11.943 2.532 1.00 0.00 O ATOM 910 CB GLU A 60 -0.902 15.214 2.357 1.00 0.00 C ATOM 911 CG GLU A 60 -1.849 14.823 3.479 1.00 0.00 C ATOM 912 CD GLU A 60 -3.020 15.771 3.605 1.00 0.00 C ATOM 913 OE1 GLU A 60 -2.865 16.855 4.215 1.00 0.00 O1- ATOM 914 OE2 GLU A 60 -4.110 15.458 3.091 1.00 0.00 O ATOM 0 H GLU A 60 0.846 15.724 0.795 1.00 0.00 H new ATOM 0 HA GLU A 60 0.856 14.107 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.475 16.190 2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.479 15.326 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.220 13.814 3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.301 14.800 4.421 1.00 0.00 H new ATOM 921 N ASP A 61 -0.757 12.771 0.484 1.00 0.00 N ATOM 922 CA ASP A 61 -1.265 11.548 -0.054 1.00 0.00 C ATOM 923 C ASP A 61 -0.762 11.442 -1.489 1.00 0.00 C ATOM 924 O ASP A 61 -0.023 12.322 -1.959 1.00 0.00 O ATOM 925 CB ASP A 61 -2.796 11.503 0.017 1.00 0.00 C ATOM 926 CG ASP A 61 -3.483 12.304 -1.054 1.00 0.00 C ATOM 927 OD1 ASP A 61 -3.481 13.550 -0.998 1.00 0.00 O ATOM 928 OD2 ASP A 61 -4.056 11.683 -1.965 1.00 0.00 O1- ATOM 0 H ASP A 61 -0.762 13.548 -0.176 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.913 10.697 0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.122 10.465 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.115 11.871 0.992 1.00 0.00 H new ATOM 933 N GLN A 62 -1.136 10.419 -2.198 1.00 0.00 N ATOM 934 CA GLN A 62 -0.588 10.232 -3.513 1.00 0.00 C ATOM 935 C GLN A 62 -1.422 10.922 -4.602 1.00 0.00 C ATOM 936 O GLN A 62 -0.924 11.210 -5.673 1.00 0.00 O ATOM 937 CB GLN A 62 -0.381 8.755 -3.808 1.00 0.00 C ATOM 938 CG GLN A 62 0.467 8.500 -5.038 1.00 0.00 C ATOM 939 CD GLN A 62 0.733 7.045 -5.265 1.00 0.00 C ATOM 940 OE1 GLN A 62 0.782 6.252 -4.333 1.00 0.00 O ATOM 941 NE2 GLN A 62 0.946 6.682 -6.480 1.00 0.00 N ATOM 0 H GLN A 62 -1.806 9.711 -1.898 1.00 0.00 H new ATOM 0 HA GLN A 62 0.388 10.717 -3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.091 8.283 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.353 8.279 -3.940 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.035 8.914 -5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.416 9.027 -4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.897 7.368 -7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.164 5.708 -6.691 1.00 0.00 H new ATOM 950 N ARG A 63 -2.653 11.257 -4.309 1.00 0.00 N ATOM 951 CA ARG A 63 -3.524 11.878 -5.313 1.00 0.00 C ATOM 952 C ARG A 63 -3.133 13.331 -5.545 1.00 0.00 C ATOM 953 O ARG A 63 -3.280 13.860 -6.639 1.00 0.00 O ATOM 954 CB ARG A 63 -4.972 11.775 -4.884 1.00 0.00 C ATOM 955 CG ARG A 63 -5.490 10.350 -4.804 1.00 0.00 C ATOM 956 CD ARG A 63 -6.390 10.165 -3.595 1.00 0.00 C ATOM 957 NE ARG A 63 -7.532 11.081 -3.571 1.00 0.00 N ATOM 958 CZ ARG A 63 -7.700 12.060 -2.668 1.00 0.00 C ATOM 959 NH1 ARG A 63 -6.684 12.452 -1.890 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -8.860 12.689 -2.600 1.00 0.00 N ATOM 0 H ARG A 63 -3.085 11.118 -3.396 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.401 11.343 -6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.086 12.248 -3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.589 12.337 -5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.041 10.108 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.651 9.657 -4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.757 9.139 -3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.801 10.307 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.248 10.968 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.771 12.006 -1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.823 13.197 -1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.619 12.429 -3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.997 13.434 -1.917 1.00 0.00 H new ATOM 974 N SER A 64 -2.561 13.934 -4.543 1.00 0.00 N ATOM 975 CA SER A 64 -2.138 15.313 -4.618 1.00 0.00 C ATOM 976 C SER A 64 -0.798 15.346 -5.334 1.00 0.00 C ATOM 977 O SER A 64 -0.458 16.277 -6.073 1.00 0.00 O ATOM 978 CB SER A 64 -2.067 15.849 -3.200 1.00 0.00 C ATOM 979 OG SER A 64 -1.619 14.817 -2.323 1.00 0.00 O ATOM 0 H SER A 64 -2.372 13.487 -3.646 1.00 0.00 H new ATOM 0 HA SER A 64 -2.829 15.943 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.387 16.700 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.047 16.208 -2.886 1.00 0.00 H new ATOM 0 HG SER A 64 -2.300 14.652 -1.638 1.00 0.00 H new ATOM 985 N THR A 65 -0.092 14.271 -5.136 1.00 0.00 N ATOM 986 CA THR A 65 1.130 13.955 -5.793 1.00 0.00 C ATOM 987 C THR A 65 0.883 13.840 -7.328 1.00 0.00 C ATOM 988 O THR A 65 1.649 14.376 -8.154 1.00 0.00 O ATOM 989 CB THR A 65 1.618 12.629 -5.170 1.00 0.00 C ATOM 990 OG1 THR A 65 2.019 12.824 -3.796 1.00 0.00 O ATOM 991 CG2 THR A 65 2.695 11.974 -5.953 1.00 0.00 C ATOM 0 H THR A 65 -0.377 13.552 -4.470 1.00 0.00 H new ATOM 0 HA THR A 65 1.890 14.725 -5.663 1.00 0.00 H new ATOM 0 HB THR A 65 0.769 11.946 -5.195 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.282 12.573 -3.201 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.991 11.048 -5.460 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.331 11.751 -6.956 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.554 12.641 -6.019 1.00 0.00 H new ATOM 999 N ILE A 66 -0.223 13.197 -7.678 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.647 13.047 -9.061 1.00 0.00 C ATOM 1001 C ILE A 66 -1.020 14.420 -9.656 1.00 0.00 C ATOM 1002 O ILE A 66 -0.710 14.718 -10.804 1.00 0.00 O ATOM 1003 CB ILE A 66 -1.838 12.048 -9.160 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.383 10.669 -8.663 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.366 11.956 -10.587 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -2.482 9.637 -8.558 1.00 0.00 C ATOM 0 H ILE A 66 -0.854 12.763 -7.005 1.00 0.00 H new ATOM 0 HA ILE A 66 0.181 12.639 -9.642 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.653 12.410 -8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.613 10.292 -9.336 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.920 10.786 -7.683 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.196 11.251 -10.623 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.709 12.938 -10.912 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.570 11.613 -11.248 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.065 8.696 -8.199 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.243 9.986 -7.860 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.932 9.484 -9.539 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.642 15.264 -8.844 1.00 0.00 N ATOM 1019 CA LEU A 67 -2.007 16.620 -9.276 1.00 0.00 C ATOM 1020 C LEU A 67 -0.784 17.418 -9.677 1.00 0.00 C ATOM 1021 O LEU A 67 -0.822 18.180 -10.656 1.00 0.00 O ATOM 1022 CB LEU A 67 -2.777 17.367 -8.189 1.00 0.00 C ATOM 1023 CG LEU A 67 -4.129 16.789 -7.826 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.792 17.615 -6.734 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -5.009 16.718 -9.058 1.00 0.00 C ATOM 0 H LEU A 67 -1.907 15.041 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.655 16.511 -10.146 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.162 17.397 -7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.918 18.398 -8.513 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.987 15.779 -7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.762 17.182 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.160 17.618 -5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.929 18.638 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.979 16.301 -8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.145 17.719 -9.466 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.536 16.082 -9.807 1.00 0.00 H new ATOM 1037 N ALA A 68 0.286 17.238 -8.929 1.00 0.00 N ATOM 1038 CA ALA A 68 1.533 17.910 -9.198 1.00 0.00 C ATOM 1039 C ALA A 68 2.099 17.496 -10.539 1.00 0.00 C ATOM 1040 O ALA A 68 2.312 18.347 -11.408 1.00 0.00 O ATOM 1041 CB ALA A 68 2.529 17.618 -8.117 1.00 0.00 C ATOM 0 H ALA A 68 0.311 16.620 -8.118 1.00 0.00 H new ATOM 0 HA ALA A 68 1.334 18.981 -9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.465 18.133 -8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.139 17.964 -7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.709 16.544 -8.068 1.00 0.00 H new ATOM 1047 N VAL A 69 2.306 16.190 -10.722 1.00 0.00 N ATOM 1048 CA VAL A 69 2.904 15.678 -11.956 1.00 0.00 C ATOM 1049 C VAL A 69 2.090 16.068 -13.190 1.00 0.00 C ATOM 1050 O VAL A 69 2.638 16.557 -14.171 1.00 0.00 O ATOM 1051 CB VAL A 69 3.187 14.124 -11.912 1.00 0.00 C ATOM 1052 CG1 VAL A 69 1.937 13.322 -11.642 1.00 0.00 C ATOM 1053 CG2 VAL A 69 3.848 13.636 -13.192 1.00 0.00 C ATOM 0 H VAL A 69 2.070 15.473 -10.036 1.00 0.00 H new ATOM 0 HA VAL A 69 3.877 16.162 -12.037 1.00 0.00 H new ATOM 0 HB VAL A 69 3.875 13.966 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.183 12.260 -11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.517 13.616 -10.680 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.207 13.510 -12.429 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.026 12.563 -13.123 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.195 13.842 -14.040 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.797 14.153 -13.331 1.00 0.00 H new ATOM 1063 N ASP A 70 0.793 15.940 -13.086 1.00 0.00 N ATOM 1064 CA ASP A 70 -0.102 16.214 -14.190 1.00 0.00 C ATOM 1065 C ASP A 70 -0.187 17.677 -14.581 1.00 0.00 C ATOM 1066 O ASP A 70 -0.182 18.012 -15.783 1.00 0.00 O ATOM 1067 CB ASP A 70 -1.494 15.702 -13.897 1.00 0.00 C ATOM 1068 CG ASP A 70 -1.742 14.310 -14.400 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -1.988 14.161 -15.603 1.00 0.00 O1- ATOM 1070 OD2 ASP A 70 -1.772 13.335 -13.593 1.00 0.00 O ATOM 0 H ASP A 70 0.322 15.642 -12.232 1.00 0.00 H new ATOM 0 HA ASP A 70 0.333 15.684 -15.038 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.661 15.725 -12.820 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.222 16.377 -14.347 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.231 18.554 -13.600 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.513 19.968 -13.870 1.00 0.00 C ATOM 1077 C ASN A 71 0.717 20.820 -13.966 1.00 0.00 C ATOM 1078 O ASN A 71 0.760 21.760 -14.764 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.481 20.569 -12.841 1.00 0.00 C ATOM 1080 CG ASN A 71 -2.912 20.097 -13.010 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -3.719 20.737 -13.716 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -3.247 18.997 -12.379 1.00 0.00 N ATOM 0 H ASN A 71 -0.079 18.328 -12.617 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.987 19.973 -14.851 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.138 20.313 -11.838 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.453 21.656 -12.919 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.197 18.635 -12.455 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.557 18.504 -11.812 1.00 0.00 H new ATOM 1089 N LEU A 72 1.718 20.509 -13.183 1.00 0.00 N ATOM 1090 CA LEU A 72 2.909 21.328 -13.152 1.00 0.00 C ATOM 1091 C LEU A 72 3.845 20.994 -14.282 1.00 0.00 C ATOM 1092 O LEU A 72 4.676 21.814 -14.651 1.00 0.00 O ATOM 1093 CB LEU A 72 3.635 21.203 -11.812 1.00 0.00 C ATOM 1094 CG LEU A 72 2.861 21.671 -10.583 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.657 21.395 -9.324 1.00 0.00 C ATOM 1096 CD2 LEU A 72 2.528 23.152 -10.687 1.00 0.00 C ATOM 0 H LEU A 72 1.736 19.701 -12.561 1.00 0.00 H new ATOM 0 HA LEU A 72 2.585 22.361 -13.275 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.910 20.158 -11.667 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.563 21.772 -11.870 1.00 0.00 H new ATOM 0 HG LEU A 72 1.925 21.114 -10.534 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.093 21.734 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.845 20.325 -9.240 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.607 21.928 -9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.976 23.464 -9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.450 23.728 -10.762 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.918 23.326 -11.574 1.00 0.00 H new ATOM 1108 N ASN A 73 3.712 19.801 -14.839 1.00 0.00 N ATOM 1109 CA ASN A 73 4.609 19.374 -15.904 1.00 0.00 C ATOM 1110 C ASN A 73 4.452 20.269 -17.109 1.00 0.00 C ATOM 1111 O ASN A 73 3.366 20.339 -17.720 1.00 0.00 O ATOM 1112 CB ASN A 73 4.387 17.910 -16.286 1.00 0.00 C ATOM 1113 CG ASN A 73 5.457 17.387 -17.228 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.489 16.891 -16.785 1.00 0.00 O ATOM 1115 ND2 ASN A 73 5.222 17.471 -18.517 1.00 0.00 N ATOM 0 H ASN A 73 3.002 19.118 -14.577 1.00 0.00 H new ATOM 0 HA ASN A 73 5.629 19.458 -15.530 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.373 17.300 -15.383 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.410 17.805 -16.757 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.908 17.118 -19.184 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.354 17.889 -18.851 1.00 0.00 H new ATOM 1122 N GLY A 74 5.504 20.985 -17.414 1.00 0.00 N ATOM 1123 CA GLY A 74 5.485 21.884 -18.525 1.00 0.00 C ATOM 1124 C GLY A 74 5.463 23.334 -18.088 1.00 0.00 C ATOM 1125 O GLY A 74 5.585 24.234 -18.921 1.00 0.00 O ATOM 0 H GLY A 74 6.386 20.958 -16.902 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.362 21.707 -19.148 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.610 21.679 -19.141 1.00 0.00 H new ATOM 1129 N PHE A 75 5.305 23.577 -16.789 1.00 0.00 N ATOM 1130 CA PHE A 75 5.284 24.942 -16.292 1.00 0.00 C ATOM 1131 C PHE A 75 6.706 25.517 -16.329 1.00 0.00 C ATOM 1132 O PHE A 75 7.673 24.870 -15.887 1.00 0.00 O ATOM 1133 CB PHE A 75 4.661 25.040 -14.872 1.00 0.00 C ATOM 1134 CG PHE A 75 4.354 26.460 -14.453 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.142 27.059 -14.789 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.284 27.202 -13.752 1.00 0.00 C ATOM 1137 CE1 PHE A 75 2.887 28.372 -14.426 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.029 28.505 -13.384 1.00 0.00 C ATOM 1139 CZ PHE A 75 3.833 29.092 -13.723 1.00 0.00 C ATOM 0 H PHE A 75 5.192 22.857 -16.075 1.00 0.00 H new ATOM 0 HA PHE A 75 4.643 25.537 -16.942 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.743 24.453 -14.844 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.346 24.595 -14.150 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.398 26.498 -15.335 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.229 26.752 -13.487 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.947 28.833 -14.693 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.768 29.065 -12.830 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.633 30.115 -13.440 1.00 0.00 H new ATOM 1149 N LYS A 76 6.822 26.703 -16.880 1.00 0.00 N ATOM 1150 CA LYS A 76 8.100 27.364 -17.071 1.00 0.00 C ATOM 1151 C LYS A 76 8.565 28.056 -15.787 1.00 0.00 C ATOM 1152 O LYS A 76 7.868 28.934 -15.268 1.00 0.00 O ATOM 1153 CB LYS A 76 7.962 28.404 -18.198 1.00 0.00 C ATOM 1154 CG LYS A 76 9.249 29.145 -18.560 1.00 0.00 C ATOM 1155 CD LYS A 76 10.291 28.225 -19.185 1.00 0.00 C ATOM 1156 CE LYS A 76 9.843 27.668 -20.535 1.00 0.00 C ATOM 1157 NZ LYS A 76 9.603 28.735 -21.529 1.00 0.00 N1+ ATOM 0 H LYS A 76 6.025 27.245 -17.213 1.00 0.00 H new ATOM 0 HA LYS A 76 8.844 26.613 -17.337 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.587 27.902 -19.090 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.210 29.137 -17.905 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.017 29.952 -19.255 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.665 29.605 -17.664 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.225 28.773 -19.313 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.497 27.399 -18.505 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.603 26.985 -20.914 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.931 27.087 -20.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.484 28.311 -22.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.742 29.260 -21.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.414 29.386 -21.542 1.00 0.00 H new ATOM 1171 N ILE A 77 9.713 27.648 -15.274 1.00 0.00 N ATOM 1172 CA ILE A 77 10.306 28.281 -14.112 1.00 0.00 C ATOM 1173 C ILE A 77 11.799 28.499 -14.332 1.00 0.00 C ATOM 1174 O ILE A 77 12.598 27.543 -14.328 1.00 0.00 O ATOM 1175 CB ILE A 77 10.084 27.489 -12.778 1.00 0.00 C ATOM 1176 CG1 ILE A 77 8.586 27.336 -12.492 1.00 0.00 C ATOM 1177 CG2 ILE A 77 10.784 28.195 -11.607 1.00 0.00 C ATOM 1178 CD1 ILE A 77 8.255 26.638 -11.194 1.00 0.00 C ATOM 0 H ILE A 77 10.257 26.872 -15.650 1.00 0.00 H new ATOM 0 HA ILE A 77 9.794 29.236 -13.999 1.00 0.00 H new ATOM 0 HB ILE A 77 10.520 26.496 -12.890 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.130 28.326 -12.482 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.129 26.783 -13.312 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.618 27.630 -10.690 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.854 28.257 -11.807 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.377 29.200 -11.492 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.173 26.577 -11.079 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.676 25.633 -11.204 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.677 27.200 -10.361 1.00 0.00 H new ATOM 1190 N GLY A 78 12.159 29.737 -14.575 1.00 0.00 N ATOM 1191 CA GLY A 78 13.546 30.107 -14.703 1.00 0.00 C ATOM 1192 C GLY A 78 14.172 29.595 -15.963 1.00 0.00 C ATOM 1193 O GLY A 78 15.223 28.959 -15.927 1.00 0.00 O ATOM 0 H GLY A 78 11.503 30.510 -14.689 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.631 31.193 -14.677 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.100 29.723 -13.846 1.00 0.00 H new ATOM 1197 N GLY A 79 13.499 29.815 -17.071 1.00 0.00 N ATOM 1198 CA GLY A 79 14.052 29.461 -18.360 1.00 0.00 C ATOM 1199 C GLY A 79 13.788 28.031 -18.784 1.00 0.00 C ATOM 1200 O GLY A 79 13.958 27.696 -19.952 1.00 0.00 O ATOM 0 H GLY A 79 12.571 30.236 -17.106 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.641 30.132 -19.114 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.129 29.627 -18.338 1.00 0.00 H new ATOM 1204 N ARG A 80 13.356 27.198 -17.870 1.00 0.00 N ATOM 1205 CA ARG A 80 13.119 25.799 -18.173 1.00 0.00 C ATOM 1206 C ARG A 80 11.768 25.350 -17.668 1.00 0.00 C ATOM 1207 O ARG A 80 11.269 25.872 -16.673 1.00 0.00 O ATOM 1208 CB ARG A 80 14.245 24.926 -17.600 1.00 0.00 C ATOM 1209 CG ARG A 80 14.502 25.097 -16.105 1.00 0.00 C ATOM 1210 CD ARG A 80 15.702 24.276 -15.669 1.00 0.00 C ATOM 1211 NE ARG A 80 16.879 24.596 -16.476 1.00 0.00 N ATOM 1212 CZ ARG A 80 18.004 23.881 -16.544 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.193 22.828 -15.751 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 18.950 24.251 -17.393 1.00 0.00 N ATOM 0 H ARG A 80 13.159 27.461 -16.904 1.00 0.00 H new ATOM 0 HA ARG A 80 13.116 25.682 -19.257 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.007 23.880 -17.794 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.166 25.149 -18.139 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.674 26.149 -15.879 1.00 0.00 H new ATOM 0 HG3 ARG A 80 13.621 24.789 -15.542 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.915 24.468 -14.617 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.473 23.214 -15.760 1.00 0.00 H new ATOM 0 HE ARG A 80 16.836 25.445 -17.040 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.473 22.559 -15.081 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.058 22.291 -15.814 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.813 25.072 -17.983 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.816 23.715 -17.457 1.00 0.00 H new ATOM 1228 N ALA A 81 11.161 24.429 -18.373 1.00 0.00 N ATOM 1229 CA ALA A 81 9.884 23.890 -17.976 1.00 0.00 C ATOM 1230 C ALA A 81 10.116 22.614 -17.221 1.00 0.00 C ATOM 1231 O ALA A 81 10.694 21.647 -17.762 1.00 0.00 O ATOM 1232 CB ALA A 81 8.993 23.645 -19.171 1.00 0.00 C ATOM 0 H ALA A 81 11.536 24.033 -19.235 1.00 0.00 H new ATOM 0 HA ALA A 81 9.374 24.613 -17.339 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.039 23.239 -18.836 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.823 24.585 -19.697 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.474 22.935 -19.844 1.00 0.00 H new ATOM 1238 N LEU A 82 9.704 22.596 -15.993 1.00 0.00 N ATOM 1239 CA LEU A 82 9.961 21.471 -15.150 1.00 0.00 C ATOM 1240 C LEU A 82 9.179 20.214 -15.532 1.00 0.00 C ATOM 1241 O LEU A 82 8.004 20.265 -15.940 1.00 0.00 O ATOM 1242 CB LEU A 82 9.922 21.834 -13.650 1.00 0.00 C ATOM 1243 CG LEU A 82 8.735 22.658 -13.140 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.463 21.862 -13.163 1.00 0.00 C ATOM 1245 CD2 LEU A 82 9.015 23.161 -11.743 1.00 0.00 C ATOM 0 H LEU A 82 9.184 23.353 -15.549 1.00 0.00 H new ATOM 0 HA LEU A 82 10.995 21.182 -15.340 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.953 20.905 -13.081 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.834 22.382 -13.415 1.00 0.00 H new ATOM 0 HG LEU A 82 8.605 23.510 -13.808 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.642 22.477 -12.795 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.250 21.546 -14.184 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.572 20.984 -12.527 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.165 23.745 -11.390 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.175 22.314 -11.076 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.907 23.787 -11.754 1.00 0.00 H new ATOM 1257 N LYS A 83 9.875 19.116 -15.436 1.00 0.00 N ATOM 1258 CA LYS A 83 9.396 17.804 -15.785 1.00 0.00 C ATOM 1259 C LYS A 83 9.199 16.988 -14.529 1.00 0.00 C ATOM 1260 O LYS A 83 10.136 16.820 -13.741 1.00 0.00 O ATOM 1261 CB LYS A 83 10.422 17.127 -16.757 1.00 0.00 C ATOM 1262 CG LYS A 83 10.387 15.582 -16.863 1.00 0.00 C ATOM 1263 CD LYS A 83 9.026 15.033 -17.250 1.00 0.00 C ATOM 1264 CE LYS A 83 9.027 13.512 -17.264 1.00 0.00 C ATOM 1265 NZ LYS A 83 7.654 12.951 -17.354 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.837 19.109 -15.097 1.00 0.00 H new ATOM 0 HA LYS A 83 8.434 17.872 -16.294 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.263 17.537 -17.754 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.425 17.421 -16.447 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.123 15.259 -17.599 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.684 15.153 -15.906 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.274 15.392 -16.548 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.747 15.408 -18.235 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.618 13.158 -18.109 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.510 13.142 -16.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.678 11.937 -17.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.033 13.444 -16.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.289 13.079 -18.320 1.00 0.00 H new ATOM 1279 N ILE A 84 7.994 16.510 -14.335 1.00 0.00 N ATOM 1280 CA ILE A 84 7.693 15.660 -13.218 1.00 0.00 C ATOM 1281 C ILE A 84 7.302 14.297 -13.783 1.00 0.00 C ATOM 1282 O ILE A 84 6.817 14.201 -14.925 1.00 0.00 O ATOM 1283 CB ILE A 84 6.528 16.176 -12.278 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.662 17.643 -11.879 1.00 0.00 C ATOM 1285 CG2 ILE A 84 6.448 15.352 -11.007 1.00 0.00 C ATOM 1286 CD1 ILE A 84 6.123 18.597 -12.895 1.00 0.00 C ATOM 0 H ILE A 84 7.200 16.700 -14.946 1.00 0.00 H new ATOM 0 HA ILE A 84 8.582 15.632 -12.588 1.00 0.00 H new ATOM 0 HB ILE A 84 5.621 16.068 -12.873 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.142 17.802 -10.934 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.714 17.868 -11.706 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.640 15.728 -10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.256 14.310 -11.261 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.391 15.426 -10.466 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.254 19.619 -12.540 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.659 18.468 -13.835 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.062 18.401 -13.052 1.00 0.00 H new ATOM 1298 N ASP A 85 7.546 13.271 -13.040 1.00 0.00 N ATOM 1299 CA ASP A 85 7.216 11.926 -13.428 1.00 0.00 C ATOM 1300 C ASP A 85 7.054 11.160 -12.137 1.00 0.00 C ATOM 1301 O ASP A 85 7.205 11.747 -11.085 1.00 0.00 O ATOM 1302 CB ASP A 85 8.380 11.352 -14.234 1.00 0.00 C ATOM 1303 CG ASP A 85 8.003 10.195 -15.107 1.00 0.00 C ATOM 1304 OD1 ASP A 85 7.894 9.075 -14.619 1.00 0.00 O1- ATOM 1305 OD2 ASP A 85 7.834 10.401 -16.326 1.00 0.00 O ATOM 0 H ASP A 85 7.990 13.337 -12.124 1.00 0.00 H new ATOM 0 HA ASP A 85 6.314 11.873 -14.037 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.802 12.141 -14.856 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.164 11.035 -13.546 1.00 0.00 H new ATOM 1310 N HIS A 86 6.777 9.902 -12.187 1.00 0.00 N ATOM 1311 CA HIS A 86 6.688 9.111 -10.974 1.00 0.00 C ATOM 1312 C HIS A 86 7.901 8.232 -10.874 1.00 0.00 C ATOM 1313 O HIS A 86 8.348 7.678 -11.872 1.00 0.00 O ATOM 1314 CB HIS A 86 5.405 8.275 -10.908 1.00 0.00 C ATOM 1315 CG HIS A 86 4.193 9.015 -10.432 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.557 8.749 -9.235 1.00 0.00 N ATOM 1317 CD2 HIS A 86 3.485 10.006 -11.015 1.00 0.00 C ATOM 1318 CE1 HIS A 86 2.511 9.568 -9.134 1.00 0.00 C ATOM 1319 NE2 HIS A 86 2.419 10.353 -10.187 1.00 0.00 N ATOM 0 H HIS A 86 6.605 9.384 -13.049 1.00 0.00 H new ATOM 0 HA HIS A 86 6.650 9.795 -10.126 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.200 7.872 -11.900 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.576 7.425 -10.248 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.839 8.049 -8.549 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.709 10.458 -11.970 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.828 9.586 -8.298 1.00 0.00 H new ATOM 1327 N THR A 87 8.435 8.087 -9.707 1.00 0.00 N ATOM 1328 CA THR A 87 9.630 7.324 -9.541 1.00 0.00 C ATOM 1329 C THR A 87 9.603 6.660 -8.168 1.00 0.00 C ATOM 1330 O THR A 87 8.862 7.089 -7.273 1.00 0.00 O ATOM 1331 CB THR A 87 10.870 8.268 -9.678 1.00 0.00 C ATOM 1332 OG1 THR A 87 12.092 7.528 -9.804 1.00 0.00 O ATOM 1333 CG2 THR A 87 10.977 9.225 -8.491 1.00 0.00 C ATOM 0 H THR A 87 8.061 8.489 -8.848 1.00 0.00 H new ATOM 0 HA THR A 87 9.698 6.551 -10.307 1.00 0.00 H new ATOM 0 HB THR A 87 10.718 8.847 -10.589 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.844 8.150 -9.889 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.849 9.866 -8.618 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.079 9.840 -8.438 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.079 8.652 -7.570 1.00 0.00 H new ATOM 1341 N PHE A 88 10.337 5.604 -8.013 1.00 0.00 N ATOM 1342 CA PHE A 88 10.449 4.986 -6.738 1.00 0.00 C ATOM 1343 C PHE A 88 11.912 4.729 -6.481 1.00 0.00 C ATOM 1344 O PHE A 88 12.656 4.338 -7.398 1.00 0.00 O ATOM 1345 CB PHE A 88 9.630 3.695 -6.663 1.00 0.00 C ATOM 1346 CG PHE A 88 9.355 3.249 -5.254 1.00 0.00 C ATOM 1347 CD1 PHE A 88 8.293 3.791 -4.549 1.00 0.00 C ATOM 1348 CD2 PHE A 88 10.147 2.300 -4.638 1.00 0.00 C ATOM 1349 CE1 PHE A 88 8.027 3.395 -3.255 1.00 0.00 C ATOM 1350 CE2 PHE A 88 9.888 1.899 -3.345 1.00 0.00 C ATOM 1351 CZ PHE A 88 8.826 2.447 -2.653 1.00 0.00 C ATOM 0 H PHE A 88 10.868 5.153 -8.758 1.00 0.00 H new ATOM 0 HA PHE A 88 10.044 5.643 -5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.683 3.843 -7.182 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.162 2.903 -7.190 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.665 4.533 -5.019 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.978 1.867 -5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.196 3.826 -2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.515 1.157 -2.873 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.622 2.133 -1.640 1.00 0.00 H new ATOM 1361 N TYR A 89 12.334 4.982 -5.286 1.00 0.00 N ATOM 1362 CA TYR A 89 13.711 4.853 -4.922 1.00 0.00 C ATOM 1363 C TYR A 89 13.748 4.457 -3.466 1.00 0.00 C ATOM 1364 O TYR A 89 12.724 4.577 -2.761 1.00 0.00 O ATOM 1365 CB TYR A 89 14.461 6.206 -5.121 1.00 0.00 C ATOM 1366 CG TYR A 89 14.201 7.226 -4.021 1.00 0.00 C ATOM 1367 CD1 TYR A 89 12.960 7.837 -3.870 1.00 0.00 C ATOM 1368 CD2 TYR A 89 15.194 7.531 -3.097 1.00 0.00 C ATOM 1369 CE1 TYR A 89 12.729 8.719 -2.839 1.00 0.00 C ATOM 1370 CE2 TYR A 89 14.960 8.400 -2.063 1.00 0.00 C ATOM 1371 CZ TYR A 89 13.733 8.990 -1.938 1.00 0.00 C ATOM 1372 OH TYR A 89 13.498 9.836 -0.888 1.00 0.00 O ATOM 0 H TYR A 89 11.728 5.288 -4.525 1.00 0.00 H new ATOM 0 HA TYR A 89 14.202 4.107 -5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 89 15.532 6.011 -5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.166 6.636 -6.078 1.00 0.00 H new ATOM 0 HD1 TYR A 89 12.168 7.616 -4.571 1.00 0.00 H new ATOM 0 HD2 TYR A 89 16.168 7.075 -3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 89 11.765 9.196 -2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 89 15.742 8.618 -1.350 1.00 0.00 H new ATOM 0 HH TYR A 89 14.104 9.617 -0.149 1.00 0.00 H new ATOM 1382 N ARG A 90 14.844 3.939 -3.032 1.00 0.00 N ATOM 1383 CA ARG A 90 15.032 3.656 -1.643 1.00 0.00 C ATOM 1384 C ARG A 90 16.011 4.674 -1.095 1.00 0.00 C ATOM 1385 O ARG A 90 17.071 4.889 -1.690 1.00 0.00 O ATOM 1386 CB ARG A 90 15.538 2.226 -1.405 1.00 0.00 C ATOM 1387 CG ARG A 90 14.654 1.131 -2.007 1.00 0.00 C ATOM 1388 CD ARG A 90 13.174 1.348 -1.694 1.00 0.00 C ATOM 1389 NE ARG A 90 12.907 1.470 -0.260 1.00 0.00 N ATOM 1390 CZ ARG A 90 12.111 2.390 0.309 1.00 0.00 C ATOM 1391 NH1 ARG A 90 11.600 3.392 -0.412 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 11.888 2.341 1.610 1.00 0.00 N ATOM 0 H ARG A 90 15.638 3.698 -3.626 1.00 0.00 H new ATOM 0 HA ARG A 90 14.074 3.726 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.541 2.135 -1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 90 15.622 2.058 -0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.795 1.105 -3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.967 0.161 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.829 2.249 -2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.597 0.515 -2.096 1.00 0.00 H new ATOM 0 HE ARG A 90 13.364 0.800 0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.813 3.465 -1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.997 4.084 0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.319 1.609 2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.285 3.036 2.051 1.00 0.00 H new ATOM 1406 N PRO A 91 15.656 5.355 0.003 1.00 0.00 N ATOM 1407 CA PRO A 91 16.505 6.395 0.597 1.00 0.00 C ATOM 1408 C PRO A 91 17.839 5.841 1.081 1.00 0.00 C ATOM 1409 O PRO A 91 17.921 4.683 1.529 1.00 0.00 O ATOM 1410 CB PRO A 91 15.676 6.906 1.787 1.00 0.00 C ATOM 1411 CG PRO A 91 14.711 5.815 2.085 1.00 0.00 C ATOM 1412 CD PRO A 91 14.412 5.163 0.771 1.00 0.00 C ATOM 0 HA PRO A 91 16.759 7.172 -0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.311 7.117 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.159 7.833 1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 91 15.136 5.099 2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.803 6.210 2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.174 4.106 0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.559 5.628 0.277 1.00 0.00 H new ATOM 1420 N LYS A 92 18.884 6.640 0.978 1.00 0.00 N ATOM 1421 CA LYS A 92 20.172 6.198 1.438 1.00 0.00 C ATOM 1422 C LYS A 92 20.246 6.327 2.944 1.00 0.00 C ATOM 1423 O LYS A 92 19.876 7.362 3.509 1.00 0.00 O ATOM 1424 CB LYS A 92 21.291 7.011 0.776 1.00 0.00 C ATOM 1425 CG LYS A 92 21.467 6.730 -0.713 1.00 0.00 C ATOM 1426 CD LYS A 92 22.587 7.565 -1.340 1.00 0.00 C ATOM 1427 CE LYS A 92 23.925 7.365 -0.628 1.00 0.00 C ATOM 1428 NZ LYS A 92 25.040 8.025 -1.342 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.862 7.581 0.586 1.00 0.00 H new ATOM 0 HA LYS A 92 20.305 5.152 1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.084 8.072 0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.230 6.801 1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.684 5.671 -0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.531 6.937 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.693 7.296 -2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.314 8.620 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.859 7.762 0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.132 6.299 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.928 7.864 -0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 25.121 7.629 -2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.856 9.047 -1.404 1.00 0.00 H new ATOM 1442 N ARG A 93 20.793 5.322 3.580 1.00 0.00 N ATOM 1443 CA ARG A 93 20.881 5.289 5.022 1.00 0.00 C ATOM 1444 C ARG A 93 22.056 6.125 5.494 1.00 0.00 C ATOM 1445 O ARG A 93 22.123 6.547 6.633 1.00 0.00 O ATOM 1446 CB ARG A 93 20.910 3.820 5.546 1.00 0.00 C ATOM 1447 CG ARG A 93 22.160 2.992 5.208 1.00 0.00 C ATOM 1448 CD ARG A 93 23.269 3.191 6.239 1.00 0.00 C ATOM 1449 NE ARG A 93 22.865 2.689 7.568 1.00 0.00 N ATOM 1450 CZ ARG A 93 22.776 3.416 8.698 1.00 0.00 C ATOM 1451 NH1 ARG A 93 22.925 4.737 8.671 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 22.480 2.815 9.837 1.00 0.00 N ATOM 0 H ARG A 93 21.190 4.505 3.116 1.00 0.00 H new ATOM 0 HA ARG A 93 19.986 5.739 5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.800 3.843 6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.039 3.299 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 93 21.894 1.936 5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 93 22.527 3.274 4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 93 24.170 2.673 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 93 23.518 4.250 6.308 1.00 0.00 H new ATOM 0 HE ARG A 93 22.631 1.698 7.636 1.00 0.00 H new ATOM 0 HH11 ARG A 93 23.109 5.212 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 93 22.855 5.276 9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 93 22.321 1.808 9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 93 22.411 3.358 10.697 1.00 0.00 H new ATOM 1466 N SER A 94 22.977 6.369 4.596 1.00 0.00 N ATOM 1467 CA SER A 94 24.131 7.183 4.886 1.00 0.00 C ATOM 1468 C SER A 94 23.728 8.659 4.925 1.00 0.00 C ATOM 1469 O SER A 94 24.390 9.486 5.553 1.00 0.00 O ATOM 1470 CB SER A 94 25.165 6.953 3.800 1.00 0.00 C ATOM 1471 OG SER A 94 25.359 5.561 3.603 1.00 0.00 O ATOM 0 H SER A 94 22.948 6.009 3.642 1.00 0.00 H new ATOM 0 HA SER A 94 24.547 6.913 5.857 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.838 7.418 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 94 26.108 7.424 4.078 1.00 0.00 H new ATOM 0 HG SER A 94 26.026 5.420 2.899 1.00 0.00 H new ATOM 1477 N LEU A 95 22.621 8.970 4.265 1.00 0.00 N ATOM 1478 CA LEU A 95 22.136 10.328 4.178 1.00 0.00 C ATOM 1479 C LEU A 95 20.852 10.503 4.976 1.00 0.00 C ATOM 1480 O LEU A 95 20.175 11.520 4.830 1.00 0.00 O ATOM 1481 CB LEU A 95 21.893 10.722 2.710 1.00 0.00 C ATOM 1482 CG LEU A 95 23.109 10.714 1.775 1.00 0.00 C ATOM 1483 CD1 LEU A 95 22.693 11.102 0.367 1.00 0.00 C ATOM 1484 CD2 LEU A 95 24.191 11.660 2.282 1.00 0.00 C ATOM 0 H LEU A 95 22.041 8.287 3.779 1.00 0.00 H new ATOM 0 HA LEU A 95 22.900 10.981 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.144 10.046 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 95 21.461 11.723 2.695 1.00 0.00 H new ATOM 0 HG LEU A 95 23.518 9.704 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 95 23.566 11.092 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 95 21.955 10.391 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 95 22.259 12.102 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 95 25.043 11.637 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 95 23.794 12.674 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 95 24.511 11.347 3.276 1.00 0.00 H new ATOM 1496 N GLN A 96 20.555 9.538 5.867 1.00 0.00 N ATOM 1497 CA GLN A 96 19.293 9.522 6.646 1.00 0.00 C ATOM 1498 C GLN A 96 19.006 10.840 7.357 1.00 0.00 C ATOM 1499 O GLN A 96 17.853 11.279 7.415 1.00 0.00 O ATOM 1500 CB GLN A 96 19.239 8.361 7.645 1.00 0.00 C ATOM 1501 CG GLN A 96 20.361 8.336 8.660 1.00 0.00 C ATOM 1502 CD GLN A 96 20.139 7.282 9.707 1.00 0.00 C ATOM 1503 OE1 GLN A 96 20.539 6.139 9.549 1.00 0.00 O ATOM 1504 NE2 GLN A 96 19.505 7.653 10.781 1.00 0.00 N ATOM 0 H GLN A 96 21.174 8.753 6.069 1.00 0.00 H new ATOM 0 HA GLN A 96 18.508 9.375 5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.289 8.404 8.177 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.251 7.423 7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 96 21.307 8.151 8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 96 20.441 9.312 9.138 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.186 8.617 10.877 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.327 6.980 11.526 1.00 0.00 H new ATOM 1513 N LYS A 97 20.065 11.492 7.844 1.00 0.00 N ATOM 1514 CA LYS A 97 19.933 12.757 8.546 1.00 0.00 C ATOM 1515 C LYS A 97 19.369 13.859 7.667 1.00 0.00 C ATOM 1516 O LYS A 97 18.689 14.728 8.155 1.00 0.00 O ATOM 1517 CB LYS A 97 21.248 13.209 9.169 1.00 0.00 C ATOM 1518 CG LYS A 97 21.726 12.384 10.358 1.00 0.00 C ATOM 1519 CD LYS A 97 20.736 12.410 11.525 1.00 0.00 C ATOM 1520 CE LYS A 97 20.434 13.825 12.018 1.00 0.00 C ATOM 1521 NZ LYS A 97 19.432 13.840 13.118 1.00 0.00 N1+ ATOM 0 H LYS A 97 21.025 11.157 7.761 1.00 0.00 H new ATOM 0 HA LYS A 97 19.218 12.571 9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.021 13.189 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 97 21.142 14.246 9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.882 11.353 10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.690 12.764 10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.806 11.932 11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 97 21.139 11.822 12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.357 14.291 12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.066 14.426 11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.445 14.768 13.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.485 13.663 12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.665 13.099 13.810 1.00 0.00 H new ATOM 1535 N TYR A 98 19.649 13.817 6.373 1.00 0.00 N ATOM 1536 CA TYR A 98 19.113 14.814 5.471 1.00 0.00 C ATOM 1537 C TYR A 98 17.601 14.614 5.349 1.00 0.00 C ATOM 1538 O TYR A 98 16.838 15.558 5.474 1.00 0.00 O ATOM 1539 CB TYR A 98 19.796 14.751 4.071 1.00 0.00 C ATOM 1540 CG TYR A 98 19.296 15.805 3.088 1.00 0.00 C ATOM 1541 CD1 TYR A 98 18.174 15.580 2.290 1.00 0.00 C ATOM 1542 CD2 TYR A 98 19.935 17.027 2.978 1.00 0.00 C ATOM 1543 CE1 TYR A 98 17.713 16.545 1.415 1.00 0.00 C ATOM 1544 CE2 TYR A 98 19.476 17.997 2.109 1.00 0.00 C ATOM 1545 CZ TYR A 98 18.368 17.751 1.328 1.00 0.00 C ATOM 1546 OH TYR A 98 17.898 18.731 0.486 1.00 0.00 O ATOM 0 H TYR A 98 20.238 13.110 5.932 1.00 0.00 H new ATOM 0 HA TYR A 98 19.320 15.803 5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.872 14.869 4.198 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.632 13.762 3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 98 17.656 14.635 2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 98 20.808 17.226 3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 98 16.844 16.353 0.803 1.00 0.00 H new ATOM 0 HE2 TYR A 98 19.985 18.947 2.042 1.00 0.00 H new ATOM 0 HH TYR A 98 17.044 19.072 0.826 1.00 0.00 H new ATOM 1556 N TYR A 99 17.194 13.360 5.177 1.00 0.00 N ATOM 1557 CA TYR A 99 15.781 13.009 4.978 1.00 0.00 C ATOM 1558 C TYR A 99 14.942 13.399 6.186 1.00 0.00 C ATOM 1559 O TYR A 99 13.861 14.002 6.043 1.00 0.00 O ATOM 1560 CB TYR A 99 15.609 11.510 4.705 1.00 0.00 C ATOM 1561 CG TYR A 99 16.287 10.999 3.446 1.00 0.00 C ATOM 1562 CD1 TYR A 99 15.650 11.043 2.217 1.00 0.00 C ATOM 1563 CD2 TYR A 99 17.552 10.457 3.498 1.00 0.00 C ATOM 1564 CE1 TYR A 99 16.264 10.552 1.076 1.00 0.00 C ATOM 1565 CE2 TYR A 99 18.174 9.973 2.374 1.00 0.00 C ATOM 1566 CZ TYR A 99 17.532 10.017 1.169 1.00 0.00 C ATOM 1567 OH TYR A 99 18.156 9.504 0.051 1.00 0.00 O ATOM 0 H TYR A 99 17.825 12.559 5.171 1.00 0.00 H new ATOM 0 HA TYR A 99 15.436 13.568 4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.998 10.955 5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.544 11.289 4.640 1.00 0.00 H new ATOM 0 HD1 TYR A 99 14.659 11.467 2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 99 18.067 10.412 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 99 15.755 10.588 0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 99 19.169 9.558 2.442 1.00 0.00 H new ATOM 0 HH TYR A 99 19.127 9.600 0.145 1.00 0.00 H new ATOM 1577 N GLU A 100 15.437 13.065 7.370 1.00 0.00 N ATOM 1578 CA GLU A 100 14.734 13.396 8.584 1.00 0.00 C ATOM 1579 C GLU A 100 14.690 14.906 8.802 1.00 0.00 C ATOM 1580 O GLU A 100 13.618 15.455 8.996 1.00 0.00 O ATOM 1581 CB GLU A 100 15.276 12.631 9.814 1.00 0.00 C ATOM 1582 CG GLU A 100 16.771 12.733 10.020 1.00 0.00 C ATOM 1583 CD GLU A 100 17.253 12.041 11.270 1.00 0.00 C ATOM 1584 OE1 GLU A 100 17.199 12.651 12.346 1.00 0.00 O ATOM 1585 OE2 GLU A 100 17.747 10.895 11.192 1.00 0.00 O1- ATOM 0 H GLU A 100 16.317 12.568 7.507 1.00 0.00 H new ATOM 0 HA GLU A 100 13.705 13.059 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.775 13.006 10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 100 15.008 11.579 9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 100 17.279 12.303 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 100 17.053 13.785 10.064 1.00 0.00 H new ATOM 1592 N ALA A 101 15.844 15.572 8.660 1.00 0.00 N ATOM 1593 CA ALA A 101 15.963 17.027 8.871 1.00 0.00 C ATOM 1594 C ALA A 101 15.003 17.817 7.981 1.00 0.00 C ATOM 1595 O ALA A 101 14.474 18.856 8.392 1.00 0.00 O ATOM 1596 CB ALA A 101 17.397 17.487 8.628 1.00 0.00 C ATOM 0 H ALA A 101 16.721 15.122 8.397 1.00 0.00 H new ATOM 0 HA ALA A 101 15.692 17.224 9.908 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.466 18.563 8.788 1.00 0.00 H new ATOM 0 HB2 ALA A 101 18.066 16.974 9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.685 17.254 7.603 1.00 0.00 H new ATOM 1602 N VAL A 102 14.785 17.335 6.772 1.00 0.00 N ATOM 1603 CA VAL A 102 13.863 17.988 5.864 1.00 0.00 C ATOM 1604 C VAL A 102 12.425 17.800 6.332 1.00 0.00 C ATOM 1605 O VAL A 102 11.695 18.779 6.531 1.00 0.00 O ATOM 1606 CB VAL A 102 13.995 17.474 4.402 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.975 18.159 3.512 1.00 0.00 C ATOM 1608 CG2 VAL A 102 15.378 17.740 3.858 1.00 0.00 C ATOM 0 H VAL A 102 15.232 16.498 6.398 1.00 0.00 H new ATOM 0 HA VAL A 102 14.124 19.046 5.872 1.00 0.00 H new ATOM 0 HB VAL A 102 13.817 16.399 4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.077 17.791 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.971 17.943 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.143 19.236 3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.444 17.371 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.574 18.812 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.116 17.229 4.476 1.00 0.00 H new ATOM 1618 N LYS A 103 12.023 16.545 6.565 1.00 0.00 N ATOM 1619 CA LYS A 103 10.634 16.282 6.906 1.00 0.00 C ATOM 1620 C LYS A 103 10.265 16.804 8.268 1.00 0.00 C ATOM 1621 O LYS A 103 9.109 17.055 8.501 1.00 0.00 O ATOM 1622 CB LYS A 103 10.226 14.815 6.779 1.00 0.00 C ATOM 1623 CG LYS A 103 10.871 13.887 7.785 1.00 0.00 C ATOM 1624 CD LYS A 103 10.341 12.439 7.715 1.00 0.00 C ATOM 1625 CE LYS A 103 10.409 11.801 6.320 1.00 0.00 C ATOM 1626 NZ LYS A 103 9.275 12.204 5.455 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.625 15.722 6.524 1.00 0.00 H new ATOM 0 HA LYS A 103 10.068 16.834 6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.143 14.744 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.474 14.469 5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.949 13.879 7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.704 14.279 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.911 11.823 8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.306 12.428 8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.346 12.084 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.417 10.716 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.608 12.318 4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.537 11.472 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.883 13.105 5.795 1.00 0.00 H new ATOM 1640 N GLU A 104 11.247 16.953 9.165 1.00 0.00 N ATOM 1641 CA GLU A 104 10.999 17.504 10.502 1.00 0.00 C ATOM 1642 C GLU A 104 10.223 18.807 10.412 1.00 0.00 C ATOM 1643 O GLU A 104 9.143 18.928 10.965 1.00 0.00 O ATOM 1644 CB GLU A 104 12.311 17.753 11.264 1.00 0.00 C ATOM 1645 CG GLU A 104 13.026 16.503 11.745 1.00 0.00 C ATOM 1646 CD GLU A 104 12.249 15.741 12.785 1.00 0.00 C ATOM 1647 OE1 GLU A 104 12.410 16.031 13.999 1.00 0.00 O ATOM 1648 OE2 GLU A 104 11.482 14.815 12.430 1.00 0.00 O1- ATOM 0 H GLU A 104 12.219 16.700 8.989 1.00 0.00 H new ATOM 0 HA GLU A 104 10.412 16.765 11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.987 18.313 10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.098 18.385 12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.217 15.851 10.893 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.996 16.782 12.157 1.00 0.00 H new ATOM 1655 N GLU A 105 10.739 19.730 9.617 1.00 0.00 N ATOM 1656 CA GLU A 105 10.165 21.070 9.474 1.00 0.00 C ATOM 1657 C GLU A 105 8.819 21.046 8.786 1.00 0.00 C ATOM 1658 O GLU A 105 8.029 21.984 8.903 1.00 0.00 O ATOM 1659 CB GLU A 105 11.101 21.969 8.690 1.00 0.00 C ATOM 1660 CG GLU A 105 12.479 22.056 9.279 1.00 0.00 C ATOM 1661 CD GLU A 105 12.446 22.400 10.755 1.00 0.00 C ATOM 1662 OE1 GLU A 105 11.871 23.455 11.126 1.00 0.00 O1- ATOM 1663 OE2 GLU A 105 12.936 21.602 11.571 1.00 0.00 O ATOM 0 H GLU A 105 11.571 19.576 9.048 1.00 0.00 H new ATOM 0 HA GLU A 105 10.028 21.460 10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.174 21.600 7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.672 22.970 8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.993 21.105 9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.055 22.811 8.744 1.00 0.00 H new ATOM 1670 N LEU A 106 8.570 20.000 8.071 1.00 0.00 N ATOM 1671 CA LEU A 106 7.333 19.856 7.362 1.00 0.00 C ATOM 1672 C LEU A 106 6.315 19.269 8.318 1.00 0.00 C ATOM 1673 O LEU A 106 5.224 19.812 8.514 1.00 0.00 O ATOM 1674 CB LEU A 106 7.518 18.913 6.165 1.00 0.00 C ATOM 1675 CG LEU A 106 8.759 19.140 5.290 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.779 18.180 4.115 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.870 20.587 4.823 1.00 0.00 C ATOM 0 H LEU A 106 9.215 19.218 7.959 1.00 0.00 H new ATOM 0 HA LEU A 106 6.998 20.824 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.549 17.890 6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.636 18.993 5.530 1.00 0.00 H new ATOM 0 HG LEU A 106 9.633 18.936 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.668 18.362 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.794 17.154 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.889 18.333 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.762 20.703 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.988 20.849 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.939 21.245 5.689 1.00 0.00 H new ATOM 1689 N ASP A 107 6.731 18.189 8.974 1.00 0.00 N ATOM 1690 CA ASP A 107 5.906 17.412 9.896 1.00 0.00 C ATOM 1691 C ASP A 107 5.397 18.286 11.033 1.00 0.00 C ATOM 1692 O ASP A 107 4.296 18.073 11.526 1.00 0.00 O ATOM 1693 CB ASP A 107 6.691 16.195 10.438 1.00 0.00 C ATOM 1694 CG ASP A 107 5.841 15.228 11.241 1.00 0.00 C ATOM 1695 OD1 ASP A 107 5.280 14.267 10.643 1.00 0.00 O ATOM 1696 OD2 ASP A 107 5.757 15.357 12.462 1.00 0.00 O1- ATOM 0 H ASP A 107 7.677 17.820 8.877 1.00 0.00 H new ATOM 0 HA ASP A 107 5.041 17.038 9.349 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.140 15.661 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.509 16.551 11.064 1.00 0.00 H new ATOM 1701 N ARG A 108 6.180 19.337 11.375 1.00 0.00 N ATOM 1702 CA ARG A 108 5.799 20.321 12.419 1.00 0.00 C ATOM 1703 C ARG A 108 4.448 21.000 12.084 1.00 0.00 C ATOM 1704 O ARG A 108 3.817 21.600 12.950 1.00 0.00 O ATOM 1705 CB ARG A 108 6.837 21.461 12.573 1.00 0.00 C ATOM 1706 CG ARG A 108 8.304 21.085 12.784 1.00 0.00 C ATOM 1707 CD ARG A 108 8.565 20.187 13.983 1.00 0.00 C ATOM 1708 NE ARG A 108 10.025 20.010 14.194 1.00 0.00 N ATOM 1709 CZ ARG A 108 10.660 18.834 14.401 1.00 0.00 C ATOM 1710 NH1 ARG A 108 9.995 17.697 14.416 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 11.972 18.808 14.577 1.00 0.00 N ATOM 0 H ARG A 108 7.084 19.526 10.941 1.00 0.00 H new ATOM 0 HA ARG A 108 5.738 19.745 13.343 1.00 0.00 H new ATOM 0 HB2 ARG A 108 6.779 22.085 11.681 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.528 22.080 13.416 1.00 0.00 H new ATOM 0 HG2 ARG A 108 8.669 20.585 11.887 1.00 0.00 H new ATOM 0 HG3 ARG A 108 8.886 21.999 12.899 1.00 0.00 H new ATOM 0 HD2 ARG A 108 8.113 20.621 14.875 1.00 0.00 H new ATOM 0 HD3 ARG A 108 8.094 19.216 13.827 1.00 0.00 H new ATOM 0 HE ARG A 108 10.601 20.852 14.182 1.00 0.00 H new ATOM 0 HH11 ARG A 108 8.985 17.695 14.270 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.490 16.819 14.573 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.507 19.676 14.557 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.448 17.920 14.733 1.00 0.00 H new ATOM 1725 N ASP A 109 4.052 20.966 10.825 1.00 0.00 N ATOM 1726 CA ASP A 109 2.796 21.581 10.410 1.00 0.00 C ATOM 1727 C ASP A 109 1.812 20.523 9.933 1.00 0.00 C ATOM 1728 O ASP A 109 0.608 20.670 10.066 1.00 0.00 O ATOM 1729 CB ASP A 109 3.049 22.594 9.293 1.00 0.00 C ATOM 1730 CG ASP A 109 1.858 23.489 9.028 1.00 0.00 C ATOM 1731 OD1 ASP A 109 1.755 24.560 9.693 1.00 0.00 O ATOM 1732 OD2 ASP A 109 1.036 23.183 8.144 1.00 0.00 O1- ATOM 0 H ASP A 109 4.577 20.522 10.071 1.00 0.00 H new ATOM 0 HA ASP A 109 2.366 22.095 11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.909 23.210 9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.307 22.061 8.378 1.00 0.00 H new ATOM 1737 N ILE A 110 2.342 19.444 9.406 1.00 0.00 N ATOM 1738 CA ILE A 110 1.529 18.362 8.857 1.00 0.00 C ATOM 1739 C ILE A 110 0.781 17.605 9.951 1.00 0.00 C ATOM 1740 O ILE A 110 -0.412 17.302 9.804 1.00 0.00 O ATOM 1741 CB ILE A 110 2.406 17.365 8.068 1.00 0.00 C ATOM 1742 CG1 ILE A 110 3.161 18.104 6.978 1.00 0.00 C ATOM 1743 CG2 ILE A 110 1.549 16.253 7.458 1.00 0.00 C ATOM 1744 CD1 ILE A 110 4.207 17.278 6.287 1.00 0.00 C ATOM 0 H ILE A 110 3.347 19.283 9.341 1.00 0.00 H new ATOM 0 HA ILE A 110 0.801 18.822 8.189 1.00 0.00 H new ATOM 0 HB ILE A 110 3.119 16.906 8.753 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.448 18.462 6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.637 18.983 7.413 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.187 15.562 6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.033 15.714 8.252 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.816 16.689 6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.700 17.880 5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.945 16.942 7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.737 16.412 5.820 1.00 0.00 H new ATOM 1973 N ILE B 206 25.898 14.884 8.041 1.00 0.00 N ATOM 1974 CA ILE B 206 25.915 15.080 6.616 1.00 0.00 C ATOM 1975 C ILE B 206 26.367 16.494 6.422 1.00 0.00 C ATOM 1976 O ILE B 206 26.013 17.357 7.225 1.00 0.00 O ATOM 1977 CB ILE B 206 24.513 14.993 5.949 1.00 0.00 C ATOM 1978 CG1 ILE B 206 23.563 14.022 6.658 1.00 0.00 C ATOM 1979 CG2 ILE B 206 24.683 14.568 4.506 1.00 0.00 C ATOM 1980 CD1 ILE B 206 23.957 12.562 6.587 1.00 0.00 C ATOM 0 HA ILE B 206 26.543 14.307 6.172 1.00 0.00 H new ATOM 0 HB ILE B 206 24.059 15.982 6.020 1.00 0.00 H new ATOM 0 HG12 ILE B 206 23.491 14.311 7.707 1.00 0.00 H new ATOM 0 HG13 ILE B 206 22.568 14.134 6.227 1.00 0.00 H new ATOM 0 HG21 ILE B 206 23.705 14.504 4.028 1.00 0.00 H new ATOM 0 HG22 ILE B 206 25.296 15.300 3.981 1.00 0.00 H new ATOM 0 HG23 ILE B 206 25.170 13.594 4.469 1.00 0.00 H new ATOM 0 HD11 ILE B 206 23.220 11.960 7.119 1.00 0.00 H new ATOM 0 HD12 ILE B 206 23.999 12.247 5.544 1.00 0.00 H new ATOM 0 HD13 ILE B 206 24.936 12.427 7.047 1.00 0.00 H new ATOM 1992 N ASP B 207 27.088 16.749 5.381 1.00 0.00 N ATOM 1993 CA ASP B 207 27.590 18.081 5.124 1.00 0.00 C ATOM 1994 C ASP B 207 26.629 18.846 4.232 1.00 0.00 C ATOM 1995 O ASP B 207 26.784 20.038 4.010 1.00 0.00 O ATOM 1996 CB ASP B 207 28.957 17.982 4.474 1.00 0.00 C ATOM 1997 CG ASP B 207 29.685 19.314 4.388 1.00 0.00 C ATOM 1998 OD1 ASP B 207 30.111 19.841 5.442 1.00 0.00 O ATOM 1999 OD2 ASP B 207 29.894 19.831 3.265 1.00 0.00 O1- ATOM 0 H ASP B 207 27.351 16.054 4.682 1.00 0.00 H new ATOM 0 HA ASP B 207 27.679 18.623 6.066 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.569 17.278 5.038 1.00 0.00 H new ATOM 0 HB3 ASP B 207 28.844 17.573 3.470 1.00 0.00 H new ATOM 2004 N ILE B 208 25.613 18.152 3.736 1.00 0.00 N ATOM 2005 CA ILE B 208 24.647 18.784 2.853 1.00 0.00 C ATOM 2006 C ILE B 208 23.699 19.641 3.683 1.00 0.00 C ATOM 2007 O ILE B 208 23.852 20.860 3.759 1.00 0.00 O ATOM 2008 CB ILE B 208 23.786 17.766 2.046 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.628 16.595 1.548 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.145 18.482 0.875 1.00 0.00 C ATOM 2011 CD1 ILE B 208 23.859 15.584 0.707 1.00 0.00 C ATOM 0 H ILE B 208 25.439 17.165 3.927 1.00 0.00 H new ATOM 0 HA ILE B 208 25.221 19.375 2.139 1.00 0.00 H new ATOM 0 HB ILE B 208 23.016 17.361 2.703 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.458 16.984 0.958 1.00 0.00 H new ATOM 0 HG13 ILE B 208 25.060 16.082 2.407 1.00 0.00 H new ATOM 0 HG21 ILE B 208 22.540 17.777 0.304 1.00 0.00 H new ATOM 0 HG22 ILE B 208 22.511 19.288 1.244 1.00 0.00 H new ATOM 0 HG23 ILE B 208 23.922 18.897 0.233 1.00 0.00 H new ATOM 0 HD11 ILE B 208 24.531 14.785 0.394 1.00 0.00 H new ATOM 0 HD12 ILE B 208 23.045 15.163 1.298 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.450 16.079 -0.173 1.00 0.00 H new ATOM 2023 N MET B 209 22.762 18.950 4.361 1.00 0.00 N ATOM 2024 CA MET B 209 21.723 19.555 5.196 1.00 0.00 C ATOM 2025 C MET B 209 20.707 20.386 4.389 1.00 0.00 C ATOM 2026 O MET B 209 21.013 20.887 3.302 1.00 0.00 O ATOM 2027 CB MET B 209 22.318 20.345 6.365 1.00 0.00 C ATOM 2028 CG MET B 209 23.061 19.505 7.402 1.00 0.00 C ATOM 2029 SD MET B 209 21.986 18.549 8.520 1.00 0.00 S ATOM 2030 CE MET B 209 21.339 17.210 7.517 1.00 0.00 C ATOM 0 H MET B 209 22.711 17.932 4.338 1.00 0.00 H new ATOM 0 HA MET B 209 21.157 18.727 5.623 1.00 0.00 H new ATOM 0 HB2 MET B 209 23.004 21.093 5.967 1.00 0.00 H new ATOM 0 HB3 MET B 209 21.514 20.885 6.865 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.726 18.815 6.882 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.690 20.164 8.000 1.00 0.00 H new ATOM 0 HE1 MET B 209 21.268 16.305 8.120 1.00 0.00 H new ATOM 0 HE2 MET B 209 20.350 17.478 7.147 1.00 0.00 H new ATOM 0 HE3 MET B 209 22.006 17.032 6.674 1.00 0.00 H new ATOM 2040 N PRO B 210 19.461 20.476 4.876 1.00 0.00 N ATOM 2041 CA PRO B 210 18.417 21.250 4.211 1.00 0.00 C ATOM 2042 C PRO B 210 18.710 22.747 4.215 1.00 0.00 C ATOM 2043 O PRO B 210 19.388 23.276 5.131 1.00 0.00 O ATOM 2044 CB PRO B 210 17.170 20.963 5.045 1.00 0.00 C ATOM 2045 CG PRO B 210 17.683 20.549 6.370 1.00 0.00 C ATOM 2046 CD PRO B 210 18.952 19.819 6.097 1.00 0.00 C ATOM 0 HA PRO B 210 18.322 20.975 3.161 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.537 21.847 5.125 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.565 20.177 4.593 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.858 21.414 7.010 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.966 19.910 6.886 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.655 19.908 6.926 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.779 18.754 5.939 1.00 0.00 H new ATOM 2054 N ASP B 211 18.211 23.409 3.213 1.00 0.00 N ATOM 2055 CA ASP B 211 18.371 24.831 3.066 1.00 0.00 C ATOM 2056 C ASP B 211 17.067 25.548 3.359 1.00 0.00 C ATOM 2057 O ASP B 211 17.008 26.378 4.258 1.00 0.00 O ATOM 2058 CB ASP B 211 18.832 25.188 1.653 1.00 0.00 C ATOM 2059 CG ASP B 211 18.842 26.672 1.427 1.00 0.00 C ATOM 2060 OD1 ASP B 211 19.616 27.390 2.088 1.00 0.00 O1- ATOM 2061 OD2 ASP B 211 18.039 27.149 0.606 1.00 0.00 O ATOM 0 H ASP B 211 17.674 22.973 2.463 1.00 0.00 H new ATOM 0 HA ASP B 211 19.130 25.151 3.779 1.00 0.00 H new ATOM 0 HB2 ASP B 211 19.832 24.788 1.485 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.173 24.714 0.925 1.00 0.00 H new ATOM 2066 N PHE B 212 16.022 25.184 2.615 1.00 0.00 N ATOM 2067 CA PHE B 212 14.698 25.834 2.694 1.00 0.00 C ATOM 2068 C PHE B 212 14.761 27.352 2.446 1.00 0.00 C ATOM 2069 O PHE B 212 14.845 28.137 3.383 1.00 0.00 O ATOM 2070 CB PHE B 212 13.970 25.568 4.027 1.00 0.00 C ATOM 2071 CG PHE B 212 13.591 24.144 4.287 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.488 23.587 3.671 1.00 0.00 C ATOM 2073 CD2 PHE B 212 14.316 23.373 5.170 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.119 22.287 3.935 1.00 0.00 C ATOM 2075 CE2 PHE B 212 13.952 22.070 5.434 1.00 0.00 C ATOM 2076 CZ PHE B 212 12.852 21.529 4.817 1.00 0.00 C ATOM 0 H PHE B 212 16.063 24.426 1.934 1.00 0.00 H new ATOM 0 HA PHE B 212 14.123 25.372 1.891 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.608 25.910 4.842 1.00 0.00 H new ATOM 0 HB3 PHE B 212 13.066 26.176 4.053 1.00 0.00 H new ATOM 0 HD1 PHE B 212 11.909 24.177 2.975 1.00 0.00 H new ATOM 0 HD2 PHE B 212 15.180 23.795 5.661 1.00 0.00 H new ATOM 0 HE1 PHE B 212 11.253 21.863 3.449 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.531 21.476 6.125 1.00 0.00 H new ATOM 0 HZ PHE B 212 12.563 20.509 5.024 1.00 0.00 H new ATOM 2086 N SER B 213 14.759 27.743 1.194 1.00 0.00 N ATOM 2087 CA SER B 213 14.735 29.144 0.807 1.00 0.00 C ATOM 2088 C SER B 213 13.945 29.221 -0.486 1.00 0.00 C ATOM 2089 O SER B 213 13.779 28.183 -1.146 1.00 0.00 O ATOM 2090 CB SER B 213 16.164 29.663 0.552 1.00 0.00 C ATOM 2091 OG SER B 213 17.028 29.394 1.648 1.00 0.00 O ATOM 0 H SER B 213 14.774 27.097 0.405 1.00 0.00 H new ATOM 0 HA SER B 213 14.291 29.750 1.597 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.564 29.198 -0.349 1.00 0.00 H new ATOM 0 HB3 SER B 213 16.133 30.737 0.369 1.00 0.00 H new ATOM 0 HG SER B 213 17.660 28.687 1.401 1.00 0.00 H new ATOM 2097 N PRO B 214 13.397 30.379 -0.858 1.00 0.00 N ATOM 2098 CA PRO B 214 12.744 30.528 -2.141 1.00 0.00 C ATOM 2099 C PRO B 214 13.735 30.868 -3.211 1.00 0.00 C ATOM 2100 O PRO B 214 14.911 31.173 -2.937 1.00 0.00 O ATOM 2101 CB PRO B 214 11.881 31.759 -1.968 1.00 0.00 C ATOM 2102 CG PRO B 214 12.623 32.593 -0.984 1.00 0.00 C ATOM 2103 CD PRO B 214 13.323 31.629 -0.058 1.00 0.00 C ATOM 0 HA PRO B 214 12.216 29.616 -2.419 1.00 0.00 H new ATOM 0 HB2 PRO B 214 11.745 32.285 -2.913 1.00 0.00 H new ATOM 0 HB3 PRO B 214 10.888 31.500 -1.601 1.00 0.00 H new ATOM 0 HG2 PRO B 214 13.341 33.241 -1.486 1.00 0.00 H new ATOM 0 HG3 PRO B 214 11.942 33.240 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO B 214 14.314 31.987 0.221 1.00 0.00 H new ATOM 0 HD3 PRO B 214 12.765 31.482 0.867 1.00 0.00 H new ATOM 2111 N SER B 215 13.295 30.781 -4.401 1.00 0.00 N ATOM 2112 CA SER B 215 13.988 31.316 -5.470 1.00 0.00 C ATOM 2113 C SER B 215 13.446 32.729 -5.658 1.00 0.00 C ATOM 2114 O SER B 215 12.591 33.208 -4.898 1.00 0.00 O ATOM 2115 CB SER B 215 13.848 30.478 -6.752 1.00 0.00 C ATOM 2116 OG SER B 215 12.578 30.659 -7.374 1.00 0.00 O ATOM 0 H SER B 215 12.420 30.322 -4.653 1.00 0.00 H new ATOM 0 HA SER B 215 15.058 31.322 -5.263 1.00 0.00 H new ATOM 0 HB2 SER B 215 14.637 30.753 -7.452 1.00 0.00 H new ATOM 0 HB3 SER B 215 13.987 29.424 -6.513 1.00 0.00 H new ATOM 0 HG SER B 215 12.668 30.541 -8.343 1.00 0.00 H new ATOM 2122 N GLY B 216 13.935 33.332 -6.620 1.00 0.00 N ATOM 2123 CA GLY B 216 13.598 34.650 -7.002 1.00 0.00 C ATOM 2124 C GLY B 216 13.317 34.644 -8.468 1.00 0.00 C ATOM 2125 O GLY B 216 13.364 35.679 -9.138 1.00 0.00 O ATOM 0 H GLY B 216 14.638 32.911 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY B 216 12.726 34.997 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY B 216 14.415 35.335 -6.773 1.00 0.00 H new ATOM 2129 N LEU B 217 13.082 33.440 -8.985 1.00 0.00 N ATOM 2130 CA LEU B 217 12.758 33.246 -10.383 1.00 0.00 C ATOM 2131 C LEU B 217 11.271 33.356 -10.497 1.00 0.00 C ATOM 2132 O LEU B 217 10.739 33.991 -11.381 1.00 0.00 O ATOM 2133 CB LEU B 217 13.136 31.833 -10.838 1.00 0.00 C ATOM 2134 CG LEU B 217 14.513 31.313 -10.451 1.00 0.00 C ATOM 2135 CD1 LEU B 217 14.702 29.936 -10.989 1.00 0.00 C ATOM 2136 CD2 LEU B 217 15.610 32.206 -10.950 1.00 0.00 C ATOM 0 H LEU B 217 13.112 32.577 -8.442 1.00 0.00 H new ATOM 0 HA LEU B 217 13.294 33.977 -10.989 1.00 0.00 H new ATOM 0 HB2 LEU B 217 12.392 31.142 -10.441 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.057 31.797 -11.925 1.00 0.00 H new ATOM 0 HG LEU B 217 14.567 31.298 -9.362 1.00 0.00 H new ATOM 0 HD11 LEU B 217 15.689 29.568 -10.709 1.00 0.00 H new ATOM 0 HD12 LEU B 217 13.939 29.276 -10.576 1.00 0.00 H new ATOM 0 HD13 LEU B 217 14.616 29.955 -12.075 1.00 0.00 H new ATOM 0 HD21 LEU B 217 16.576 31.798 -10.652 1.00 0.00 H new ATOM 0 HD22 LEU B 217 15.563 32.268 -12.037 1.00 0.00 H new ATOM 0 HD23 LEU B 217 15.490 33.202 -10.524 1.00 0.00 H new ATOM 2148 N LEU B 218 10.633 32.743 -9.532 1.00 0.00 N ATOM 2149 CA LEU B 218 9.197 32.630 -9.405 1.00 0.00 C ATOM 2150 C LEU B 218 8.456 33.961 -9.542 1.00 0.00 C ATOM 2151 O LEU B 218 7.477 34.056 -10.282 1.00 0.00 O ATOM 2152 CB LEU B 218 8.892 31.931 -8.086 1.00 0.00 C ATOM 2153 CG LEU B 218 8.555 30.435 -8.205 1.00 0.00 C ATOM 2154 CD1 LEU B 218 9.684 29.677 -8.803 1.00 0.00 C ATOM 2155 CD2 LEU B 218 8.206 29.830 -6.879 1.00 0.00 C ATOM 0 H LEU B 218 11.128 32.282 -8.769 1.00 0.00 H new ATOM 0 HA LEU B 218 8.823 32.037 -10.239 1.00 0.00 H new ATOM 0 HB2 LEU B 218 9.752 32.043 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU B 218 8.055 32.440 -7.608 1.00 0.00 H new ATOM 0 HG LEU B 218 7.685 30.367 -8.858 1.00 0.00 H new ATOM 0 HD11 LEU B 218 9.417 28.623 -8.875 1.00 0.00 H new ATOM 0 HD12 LEU B 218 9.896 30.066 -9.799 1.00 0.00 H new ATOM 0 HD13 LEU B 218 10.568 29.785 -8.175 1.00 0.00 H new ATOM 0 HD21 LEU B 218 7.975 28.773 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU B 218 9.050 29.935 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU B 218 7.338 30.342 -6.463 1.00 0.00 H new ATOM 2167 N GLU B 219 8.961 34.977 -8.889 1.00 0.00 N ATOM 2168 CA GLU B 219 8.393 36.328 -8.928 1.00 0.00 C ATOM 2169 C GLU B 219 8.507 36.971 -10.326 1.00 0.00 C ATOM 2170 O GLU B 219 7.811 37.945 -10.640 1.00 0.00 O ATOM 2171 CB GLU B 219 9.091 37.186 -7.878 1.00 0.00 C ATOM 2172 CG GLU B 219 10.600 37.189 -8.024 1.00 0.00 C ATOM 2173 CD GLU B 219 11.297 37.882 -6.903 1.00 0.00 C ATOM 2174 OE1 GLU B 219 11.377 37.319 -5.794 1.00 0.00 O1- ATOM 2175 OE2 GLU B 219 11.818 38.993 -7.112 1.00 0.00 O ATOM 0 H GLU B 219 9.792 34.902 -8.302 1.00 0.00 H new ATOM 0 HA GLU B 219 7.328 36.261 -8.707 1.00 0.00 H new ATOM 0 HB2 GLU B 219 8.722 38.209 -7.949 1.00 0.00 H new ATOM 0 HB3 GLU B 219 8.828 36.821 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU B 219 10.955 36.160 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU B 219 10.867 37.673 -8.964 1.00 0.00 H new ATOM 2182 N LEU B 220 9.381 36.432 -11.150 1.00 0.00 N ATOM 2183 CA LEU B 220 9.585 36.928 -12.499 1.00 0.00 C ATOM 2184 C LEU B 220 8.795 36.077 -13.477 1.00 0.00 C ATOM 2185 O LEU B 220 8.549 36.476 -14.612 1.00 0.00 O ATOM 2186 CB LEU B 220 11.078 36.868 -12.867 1.00 0.00 C ATOM 2187 CG LEU B 220 12.043 37.640 -11.959 1.00 0.00 C ATOM 2188 CD1 LEU B 220 13.480 37.401 -12.391 1.00 0.00 C ATOM 2189 CD2 LEU B 220 11.729 39.127 -11.978 1.00 0.00 C ATOM 0 H LEU B 220 9.971 35.637 -10.905 1.00 0.00 H new ATOM 0 HA LEU B 220 9.245 37.962 -12.549 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.384 35.822 -12.877 1.00 0.00 H new ATOM 0 HB3 LEU B 220 11.193 37.244 -13.884 1.00 0.00 H new ATOM 0 HG LEU B 220 11.917 37.276 -10.939 1.00 0.00 H new ATOM 0 HD11 LEU B 220 14.153 37.955 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU B 220 13.707 36.337 -12.327 1.00 0.00 H new ATOM 0 HD13 LEU B 220 13.612 37.739 -13.419 1.00 0.00 H new ATOM 0 HD21 LEU B 220 12.426 39.654 -11.327 1.00 0.00 H new ATOM 0 HD22 LEU B 220 11.825 39.506 -12.995 1.00 0.00 H new ATOM 0 HD23 LEU B 220 10.710 39.288 -11.625 1.00 0.00 H new ATOM 2201 N GLU B 221 8.395 34.908 -13.022 1.00 0.00 N ATOM 2202 CA GLU B 221 7.688 33.963 -13.852 1.00 0.00 C ATOM 2203 C GLU B 221 6.184 34.117 -13.710 1.00 0.00 C ATOM 2204 O GLU B 221 5.460 34.149 -14.710 1.00 0.00 O ATOM 2205 CB GLU B 221 8.143 32.533 -13.554 1.00 0.00 C ATOM 2206 CG GLU B 221 9.620 32.292 -13.867 1.00 0.00 C ATOM 2207 CD GLU B 221 9.948 32.413 -15.347 1.00 0.00 C ATOM 2208 OE1 GLU B 221 9.831 33.515 -15.924 1.00 0.00 O ATOM 2209 OE2 GLU B 221 10.346 31.403 -15.961 1.00 0.00 O1- ATOM 0 H GLU B 221 8.552 34.589 -12.066 1.00 0.00 H new ATOM 0 HA GLU B 221 7.933 34.178 -14.892 1.00 0.00 H new ATOM 0 HB2 GLU B 221 7.961 32.313 -12.502 1.00 0.00 H new ATOM 0 HB3 GLU B 221 7.537 31.838 -14.135 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.224 33.007 -13.308 1.00 0.00 H new ATOM 0 HG3 GLU B 221 9.900 31.298 -13.520 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.861 23.787 -1.230 1.00 0.00 N ATOM 2462 CA PRO C 315 -3.453 24.208 -1.045 1.00 0.00 C ATOM 2463 C PRO C 315 -2.947 24.113 0.402 1.00 0.00 C ATOM 2464 O PRO C 315 -3.725 24.162 1.370 1.00 0.00 O ATOM 2465 CB PRO C 315 -3.439 25.674 -1.514 1.00 0.00 C ATOM 2466 CG PRO C 315 -4.872 26.065 -1.639 1.00 0.00 C ATOM 2467 CD PRO C 315 -5.605 24.813 -1.984 1.00 0.00 C ATOM 0 HA PRO C 315 -2.788 23.549 -1.602 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -2.919 26.310 -0.798 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -2.920 25.776 -2.467 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -5.244 26.492 -0.708 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -5.005 26.822 -2.412 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -6.651 24.859 -1.682 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -5.591 24.618 -3.056 1.00 0.00 H new ATOM 2475 N GLY C 316 -1.641 24.012 0.532 1.00 0.00 N ATOM 2476 CA GLY C 316 -1.022 23.828 1.807 1.00 0.00 C ATOM 2477 C GLY C 316 -0.433 25.096 2.400 1.00 0.00 C ATOM 2478 O GLY C 316 -0.503 26.181 1.806 1.00 0.00 O ATOM 0 H GLY C 316 -0.987 24.056 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -1.758 23.423 2.501 1.00 0.00 H new ATOM 0 HA3 GLY C 316 -0.232 23.084 1.711 1.00 0.00 H new ATOM 2482 N SER C 317 0.206 24.925 3.536 1.00 0.00 N ATOM 2483 CA SER C 317 0.732 26.002 4.356 1.00 0.00 C ATOM 2484 C SER C 317 1.955 26.738 3.755 1.00 0.00 C ATOM 2485 O SER C 317 2.369 27.770 4.289 1.00 0.00 O ATOM 2486 CB SER C 317 1.109 25.419 5.711 1.00 0.00 C ATOM 2487 OG SER C 317 0.043 24.621 6.227 1.00 0.00 O ATOM 0 H SER C 317 0.382 24.001 3.931 1.00 0.00 H new ATOM 0 HA SER C 317 -0.052 26.756 4.429 1.00 0.00 H new ATOM 0 HB2 SER C 317 2.010 24.814 5.615 1.00 0.00 H new ATOM 0 HB3 SER C 317 1.339 26.224 6.409 1.00 0.00 H new ATOM 0 HG SER C 317 0.294 24.270 7.107 1.00 0.00 H new ATOM 2493 N ARG C 318 2.543 26.237 2.680 1.00 0.00 N ATOM 2494 CA ARG C 318 3.725 26.910 2.147 1.00 0.00 C ATOM 2495 C ARG C 318 3.499 27.500 0.760 1.00 0.00 C ATOM 2496 O ARG C 318 4.424 28.029 0.135 1.00 0.00 O ATOM 2497 CB ARG C 318 4.983 26.028 2.216 1.00 0.00 C ATOM 2498 CG ARG C 318 5.408 25.691 3.653 1.00 0.00 C ATOM 2499 CD ARG C 318 6.727 24.943 3.692 1.00 0.00 C ATOM 2500 NE ARG C 318 7.130 24.569 5.063 1.00 0.00 N ATOM 2501 CZ ARG C 318 8.394 24.539 5.529 1.00 0.00 C ATOM 2502 NH1 ARG C 318 9.393 25.010 4.790 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 8.654 24.081 6.755 1.00 0.00 N ATOM 0 H ARG C 318 2.241 25.404 2.175 1.00 0.00 H new ATOM 0 HA ARG C 318 3.908 27.760 2.804 1.00 0.00 H new ATOM 0 HB2 ARG C 318 4.800 25.102 1.672 1.00 0.00 H new ATOM 0 HB3 ARG C 318 5.804 26.537 1.711 1.00 0.00 H new ATOM 0 HG2 ARG C 318 5.495 26.611 4.231 1.00 0.00 H new ATOM 0 HG3 ARG C 318 4.634 25.088 4.128 1.00 0.00 H new ATOM 0 HD2 ARG C 318 6.648 24.043 3.083 1.00 0.00 H new ATOM 0 HD3 ARG C 318 7.505 25.563 3.245 1.00 0.00 H new ATOM 0 HE ARG C 318 6.387 24.311 5.713 1.00 0.00 H new ATOM 0 HH11 ARG C 318 9.205 25.397 3.865 1.00 0.00 H new ATOM 0 HH12 ARG C 318 10.348 24.985 5.148 1.00 0.00 H new ATOM 0 HH21 ARG C 318 7.893 23.750 7.348 1.00 0.00 H new ATOM 0 HH22 ARG C 318 9.614 24.062 7.099 1.00 0.00 H new ATOM 2517 N TRP C 319 2.272 27.428 0.283 1.00 0.00 N ATOM 2518 CA TRP C 319 1.933 28.056 -0.968 1.00 0.00 C ATOM 2519 C TRP C 319 1.620 29.502 -0.693 1.00 0.00 C ATOM 2520 O TRP C 319 0.591 29.822 -0.099 1.00 0.00 O ATOM 2521 CB TRP C 319 0.749 27.374 -1.664 1.00 0.00 C ATOM 2522 CG TRP C 319 0.361 28.039 -2.964 1.00 0.00 C ATOM 2523 CD1 TRP C 319 1.143 28.195 -4.065 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -0.905 28.626 -3.292 1.00 0.00 C ATOM 2525 NE1 TRP C 319 0.447 28.840 -5.054 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -0.811 29.111 -4.609 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -2.105 28.787 -2.604 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -1.871 29.742 -5.249 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -3.155 29.411 -3.240 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -3.033 29.881 -4.550 1.00 0.00 C ATOM 0 H TRP C 319 1.501 26.943 0.743 1.00 0.00 H new ATOM 0 HA TRP C 319 2.780 27.965 -1.648 1.00 0.00 H new ATOM 0 HB2 TRP C 319 1.001 26.331 -1.857 1.00 0.00 H new ATOM 0 HB3 TRP C 319 -0.109 27.375 -0.992 1.00 0.00 H new ATOM 0 HD1 TRP C 319 2.166 27.859 -4.148 1.00 0.00 H new ATOM 0 HE1 TRP C 319 0.813 29.079 -5.976 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -2.210 28.429 -1.590 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -1.778 30.108 -6.261 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -4.091 29.540 -2.716 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -3.877 30.365 -5.019 1.00 0.00 H new ATOM 2541 N ASP C 320 2.541 30.348 -1.055 1.00 0.00 N ATOM 2542 CA ASP C 320 2.408 31.771 -0.827 1.00 0.00 C ATOM 2543 C ASP C 320 1.267 32.364 -1.654 1.00 0.00 C ATOM 2544 O ASP C 320 0.169 32.613 -1.136 1.00 0.00 O ATOM 2545 CB ASP C 320 3.730 32.476 -1.118 1.00 0.00 C ATOM 2546 CG ASP C 320 3.655 33.957 -0.897 1.00 0.00 C ATOM 2547 OD1 ASP C 320 3.667 34.392 0.268 1.00 0.00 O ATOM 2548 OD2 ASP C 320 3.622 34.709 -1.884 1.00 0.00 O1- ATOM 0 H ASP C 320 3.409 30.077 -1.518 1.00 0.00 H new ATOM 0 HA ASP C 320 2.158 31.928 0.222 1.00 0.00 H new ATOM 0 HB2 ASP C 320 4.509 32.056 -0.481 1.00 0.00 H new ATOM 0 HB3 ASP C 320 4.022 32.281 -2.150 1.00 0.00 H new ATOM 2553 N GLY C 321 1.515 32.568 -2.927 1.00 0.00 N ATOM 2554 CA GLY C 321 0.482 33.066 -3.794 1.00 0.00 C ATOM 2555 C GLY C 321 0.913 33.110 -5.231 1.00 0.00 C ATOM 2556 O GLY C 321 0.358 33.857 -6.033 1.00 0.00 O ATOM 0 H GLY C 321 2.414 32.398 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -0.402 32.435 -3.702 1.00 0.00 H new ATOM 0 HA3 GLY C 321 0.193 34.067 -3.473 1.00 0.00 H new