USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=30 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 Set 1.1: A 89 TYR OH : rot -157:sc= 1.18 USER MOD Set 1.2: A 99 TYR OH : rot 156:sc= 1.01 USER MOD Set 2.1: A 34 TYR OH : rot 68:sc= 1.98 USER MOD Set 2.2: A 71 ASN : amide:sc= 1.13 K(o=3.1,f=-0.079) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.73 F(o=-2.2,f=-0.73) USER MOD Single : A 12 TYR OH : rot -157:sc= 0.373 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -4.06! C(o=-4.6!,f=-4.1!) USER MOD Single : A 23 THR OG1 : rot -93:sc= 1.01 USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 32 SER OG : rot 19:sc= 1.18 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.832 K(o=0.83,f=0) USER MOD Single : A 48 THR OG1 : rot -158:sc= 1.19 USER MOD Single : A 51 SER OG : rot -155:sc= 1.27 USER MOD Single : A 52 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.8) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 1.18 (180deg=0.985) USER MOD Single : A 59 TYR OH : rot 130:sc= -0.0297 USER MOD Single : A 62 GLN : amide:sc= -0.267 K(o=-0.27,f=-2) USER MOD Single : A 64 SER OG : rot 63:sc= 0.779 USER MOD Single : A 65 THR OG1 : rot 88:sc= 0.762 USER MOD Single : A 73 ASN : amide:sc= -1.71 K(o=-1.7,f=-5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 1.04 (180deg=0.931) USER MOD Single : A 86 HIS : no HE2:sc= 0.581 K(o=0.58,f=-5.3!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -99:sc= 0.0858 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0144 F(o=-1.1,f=-0.014) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0.994) USER MOD Single : A 98 TYR OH : rot 8:sc= 1.02 USER MOD Single : A 103 LYS NZ :NH3+ -109:sc= 1.17 (180deg=-0.163) USER MOD Single : B 209 MET CE :methyl 145:sc= -0.863 (180deg=-3.18!) USER MOD Single : B 213 SER OG : rot 180:sc= -0.103 USER MOD Single : B 215 SER OG : rot -55:sc= 0.817 USER MOD Single : C 317 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 4.104 4.223 -8.021 1.00 0.00 N ATOM 129 CA ASN A 10 5.333 4.788 -7.543 1.00 0.00 C ATOM 130 C ASN A 10 4.984 6.109 -6.878 1.00 0.00 C ATOM 131 O ASN A 10 4.724 7.098 -7.553 1.00 0.00 O ATOM 132 CB ASN A 10 6.349 4.993 -8.684 1.00 0.00 C ATOM 133 CG ASN A 10 6.866 3.706 -9.340 1.00 0.00 C ATOM 134 OD1 ASN A 10 6.943 2.617 -8.600 1.00 0.00 O flip ATOM 135 ND2 ASN A 10 7.198 3.699 -10.513 1.00 0.00 N flip ATOM 0 HA ASN A 10 5.809 4.110 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.887 5.613 -9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.201 5.550 -8.294 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.130 4.553 -11.067 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.543 2.840 -10.940 1.00 0.00 H new ATOM 142 N ALA A 11 4.897 6.087 -5.553 1.00 0.00 N ATOM 143 CA ALA A 11 4.451 7.246 -4.772 1.00 0.00 C ATOM 144 C ALA A 11 5.453 8.401 -4.775 1.00 0.00 C ATOM 145 O ALA A 11 5.091 9.534 -4.495 1.00 0.00 O ATOM 146 CB ALA A 11 4.085 6.826 -3.359 1.00 0.00 C ATOM 0 H ALA A 11 5.131 5.271 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 11 3.558 7.633 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.756 7.698 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.280 6.092 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.956 6.386 -2.873 1.00 0.00 H new ATOM 152 N TYR A 12 6.699 8.114 -5.066 1.00 0.00 N ATOM 153 CA TYR A 12 7.680 9.164 -5.210 1.00 0.00 C ATOM 154 C TYR A 12 7.611 9.711 -6.612 1.00 0.00 C ATOM 155 O TYR A 12 7.490 8.963 -7.576 1.00 0.00 O ATOM 156 CB TYR A 12 9.113 8.692 -4.888 1.00 0.00 C ATOM 157 CG TYR A 12 9.511 8.759 -3.419 1.00 0.00 C ATOM 158 CD1 TYR A 12 9.218 7.732 -2.528 1.00 0.00 C ATOM 159 CD2 TYR A 12 10.210 9.864 -2.934 1.00 0.00 C ATOM 160 CE1 TYR A 12 9.611 7.808 -1.195 1.00 0.00 C ATOM 161 CE2 TYR A 12 10.602 9.949 -1.610 1.00 0.00 C ATOM 162 CZ TYR A 12 10.303 8.922 -0.744 1.00 0.00 C ATOM 163 OH TYR A 12 10.706 8.999 0.583 1.00 0.00 O ATOM 0 H TYR A 12 7.057 7.169 -5.207 1.00 0.00 H new ATOM 0 HA TYR A 12 7.443 9.944 -4.486 1.00 0.00 H new ATOM 0 HB2 TYR A 12 9.223 7.663 -5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.814 9.296 -5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.678 6.864 -2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 12 10.451 10.673 -3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.378 7.002 -0.514 1.00 0.00 H new ATOM 0 HE2 TYR A 12 11.140 10.817 -1.258 1.00 0.00 H new ATOM 0 HH TYR A 12 10.837 9.938 0.831 1.00 0.00 H new ATOM 173 N ILE A 13 7.638 10.985 -6.730 1.00 0.00 N ATOM 174 CA ILE A 13 7.610 11.595 -8.008 1.00 0.00 C ATOM 175 C ILE A 13 8.958 12.142 -8.377 1.00 0.00 C ATOM 176 O ILE A 13 9.695 12.673 -7.530 1.00 0.00 O ATOM 177 CB ILE A 13 6.505 12.671 -8.154 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.625 13.763 -7.078 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.141 12.010 -8.126 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.572 14.849 -7.165 1.00 0.00 C ATOM 0 H ILE A 13 7.680 11.636 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 13 7.353 10.806 -8.714 1.00 0.00 H new ATOM 0 HB ILE A 13 6.633 13.168 -9.115 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.566 13.295 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.610 14.223 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.366 12.770 -8.229 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.064 11.299 -8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.011 11.485 -7.180 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.733 15.576 -6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.643 15.348 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.582 14.406 -7.057 1.00 0.00 H new ATOM 192 N TYR A 14 9.279 11.960 -9.613 1.00 0.00 N ATOM 193 CA TYR A 14 10.493 12.421 -10.207 1.00 0.00 C ATOM 194 C TYR A 14 10.277 13.819 -10.673 1.00 0.00 C ATOM 195 O TYR A 14 9.344 14.082 -11.415 1.00 0.00 O ATOM 196 CB TYR A 14 10.865 11.509 -11.403 1.00 0.00 C ATOM 197 CG TYR A 14 11.832 12.109 -12.429 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.211 12.037 -12.269 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.339 12.736 -13.579 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.062 12.567 -13.227 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.177 13.269 -14.529 1.00 0.00 C ATOM 202 CZ TYR A 14 13.541 13.183 -14.352 1.00 0.00 C ATOM 203 OH TYR A 14 14.394 13.700 -15.306 1.00 0.00 O ATOM 0 H TYR A 14 8.676 11.463 -10.269 1.00 0.00 H new ATOM 0 HA TYR A 14 11.309 12.392 -9.485 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.305 10.592 -11.012 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.947 11.228 -11.919 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.623 11.564 -11.390 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.271 12.803 -13.724 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.132 12.499 -13.095 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.770 13.751 -15.406 1.00 0.00 H new ATOM 0 HH TYR A 14 13.870 14.097 -16.033 1.00 0.00 H new ATOM 213 N ILE A 15 11.075 14.709 -10.216 1.00 0.00 N ATOM 214 CA ILE A 15 11.013 16.047 -10.682 1.00 0.00 C ATOM 215 C ILE A 15 12.341 16.298 -11.363 1.00 0.00 C ATOM 216 O ILE A 15 13.396 16.181 -10.737 1.00 0.00 O ATOM 217 CB ILE A 15 10.820 17.063 -9.528 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.774 16.545 -8.522 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.352 18.405 -10.104 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.619 17.413 -7.291 1.00 0.00 C ATOM 0 H ILE A 15 11.790 14.534 -9.509 1.00 0.00 H new ATOM 0 HA ILE A 15 10.161 16.177 -11.349 1.00 0.00 H new ATOM 0 HB ILE A 15 11.771 17.192 -9.011 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.809 16.469 -9.024 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.052 15.538 -8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.216 19.121 -9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.101 18.783 -10.800 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.407 18.266 -10.628 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.865 16.980 -6.633 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.571 17.470 -6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.309 18.415 -7.589 1.00 0.00 H new ATOM 232 N GLY A 16 12.310 16.573 -12.623 1.00 0.00 N ATOM 233 CA GLY A 16 13.531 16.757 -13.349 1.00 0.00 C ATOM 234 C GLY A 16 13.511 17.994 -14.188 1.00 0.00 C ATOM 235 O GLY A 16 12.458 18.655 -14.302 1.00 0.00 O ATOM 0 H GLY A 16 11.458 16.676 -13.175 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.364 16.810 -12.648 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.706 15.891 -13.987 1.00 0.00 H new ATOM 239 N ASN A 17 14.676 18.311 -14.755 1.00 0.00 N ATOM 240 CA ASN A 17 14.894 19.451 -15.658 1.00 0.00 C ATOM 241 C ASN A 17 14.791 20.766 -14.872 1.00 0.00 C ATOM 242 O ASN A 17 14.387 21.807 -15.395 1.00 0.00 O ATOM 243 CB ASN A 17 13.891 19.401 -16.852 1.00 0.00 C ATOM 244 CG ASN A 17 14.333 20.212 -18.069 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.038 19.694 -18.946 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.910 21.446 -18.161 1.00 0.00 N ATOM 0 H ASN A 17 15.523 17.766 -14.596 1.00 0.00 H new ATOM 0 HA ASN A 17 15.897 19.394 -16.080 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.750 18.363 -17.152 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.922 19.769 -16.515 1.00 0.00 H new ATOM 0 HD21 ASN A 17 14.159 22.011 -18.972 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.331 21.843 -17.421 1.00 0.00 H new ATOM 253 N LEU A 18 15.199 20.717 -13.612 1.00 0.00 N ATOM 254 CA LEU A 18 15.165 21.897 -12.772 1.00 0.00 C ATOM 255 C LEU A 18 16.371 22.754 -12.998 1.00 0.00 C ATOM 256 O LEU A 18 17.438 22.277 -13.403 1.00 0.00 O ATOM 257 CB LEU A 18 15.095 21.596 -11.255 1.00 0.00 C ATOM 258 CG LEU A 18 13.816 20.983 -10.686 1.00 0.00 C ATOM 259 CD1 LEU A 18 13.730 19.519 -10.996 1.00 0.00 C ATOM 260 CD2 LEU A 18 13.725 21.223 -9.191 1.00 0.00 C ATOM 0 H LEU A 18 15.554 19.877 -13.155 1.00 0.00 H new ATOM 0 HA LEU A 18 14.247 22.408 -13.064 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.919 20.925 -11.013 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.278 22.530 -10.724 1.00 0.00 H new ATOM 0 HG LEU A 18 12.969 21.474 -11.165 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.809 19.112 -10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.733 19.375 -12.076 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.586 19.004 -10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.807 20.778 -8.806 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.583 20.768 -8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.719 22.295 -8.994 1.00 0.00 H new ATOM 272 N ASN A 19 16.187 24.015 -12.744 1.00 0.00 N ATOM 273 CA ASN A 19 17.247 24.980 -12.743 1.00 0.00 C ATOM 274 C ASN A 19 18.196 24.646 -11.614 1.00 0.00 C ATOM 275 O ASN A 19 17.767 24.206 -10.540 1.00 0.00 O ATOM 276 CB ASN A 19 16.664 26.371 -12.532 1.00 0.00 C ATOM 277 CG ASN A 19 15.953 26.944 -13.718 1.00 0.00 C ATOM 278 OD1 ASN A 19 16.557 27.916 -14.372 1.00 0.00 O flip ATOM 279 ND2 ASN A 19 14.836 26.589 -13.987 1.00 0.00 N flip ATOM 0 H ASN A 19 15.273 24.412 -12.526 1.00 0.00 H new ATOM 0 HA ASN A 19 17.779 24.959 -13.694 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.969 26.334 -11.693 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.470 27.048 -12.248 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.400 25.833 -13.459 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.324 27.044 -14.743 1.00 0.00 H new ATOM 286 N ARG A 20 19.454 24.878 -11.836 1.00 0.00 N ATOM 287 CA ARG A 20 20.494 24.547 -10.888 1.00 0.00 C ATOM 288 C ARG A 20 20.381 25.505 -9.670 1.00 0.00 C ATOM 289 O ARG A 20 20.810 25.194 -8.571 1.00 0.00 O ATOM 290 CB ARG A 20 21.853 24.678 -11.629 1.00 0.00 C ATOM 291 CG ARG A 20 23.064 23.939 -11.040 1.00 0.00 C ATOM 292 CD ARG A 20 23.516 24.491 -9.709 1.00 0.00 C ATOM 293 NE ARG A 20 23.764 25.945 -9.773 1.00 0.00 N ATOM 294 CZ ARG A 20 24.592 26.626 -8.984 1.00 0.00 C ATOM 295 NH1 ARG A 20 25.540 26.000 -8.294 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 24.536 27.946 -8.964 1.00 0.00 N ATOM 0 H ARG A 20 19.801 25.310 -12.693 1.00 0.00 H new ATOM 0 HA ARG A 20 20.404 23.530 -10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.712 24.328 -12.652 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.103 25.738 -11.686 1.00 0.00 H new ATOM 0 HG2 ARG A 20 22.814 22.885 -10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.892 23.993 -11.747 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.758 24.285 -8.954 1.00 0.00 H new ATOM 0 HD3 ARG A 20 24.426 23.981 -9.394 1.00 0.00 H new ATOM 0 HE ARG A 20 23.257 26.473 -10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 20 25.639 24.987 -8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 20 26.169 26.532 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.861 28.437 -9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.167 28.474 -8.362 1.00 0.00 H new ATOM 310 N GLU A 21 19.768 26.642 -9.888 1.00 0.00 N ATOM 311 CA GLU A 21 19.569 27.634 -8.850 1.00 0.00 C ATOM 312 C GLU A 21 18.307 27.386 -7.992 1.00 0.00 C ATOM 313 O GLU A 21 18.052 28.130 -7.045 1.00 0.00 O ATOM 314 CB GLU A 21 19.604 29.082 -9.406 1.00 0.00 C ATOM 315 CG GLU A 21 18.822 29.331 -10.688 1.00 0.00 C ATOM 316 CD GLU A 21 19.528 28.840 -11.943 1.00 0.00 C ATOM 317 OE1 GLU A 21 20.295 29.591 -12.545 1.00 0.00 O1- ATOM 318 OE2 GLU A 21 19.325 27.694 -12.337 1.00 0.00 O ATOM 0 H GLU A 21 19.389 26.911 -10.796 1.00 0.00 H new ATOM 0 HA GLU A 21 20.419 27.519 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.222 29.753 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.644 29.356 -9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.852 28.840 -10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.631 30.400 -10.784 1.00 0.00 H new ATOM 325 N LEU A 22 17.544 26.359 -8.313 1.00 0.00 N ATOM 326 CA LEU A 22 16.357 26.006 -7.520 1.00 0.00 C ATOM 327 C LEU A 22 16.735 25.040 -6.407 1.00 0.00 C ATOM 328 O LEU A 22 17.467 24.061 -6.641 1.00 0.00 O ATOM 329 CB LEU A 22 15.261 25.391 -8.405 1.00 0.00 C ATOM 330 CG LEU A 22 14.666 26.326 -9.461 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.795 25.570 -10.441 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.844 27.406 -8.801 1.00 0.00 C ATOM 0 H LEU A 22 17.715 25.749 -9.113 1.00 0.00 H new ATOM 0 HA LEU A 22 15.963 26.921 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.673 24.517 -8.909 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.455 25.037 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 22 15.497 26.774 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.389 26.264 -11.177 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.392 24.812 -10.948 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.977 25.089 -9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.427 28.063 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.033 26.950 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.477 27.986 -8.129 1.00 0.00 H new ATOM 344 N THR A 23 16.296 25.332 -5.213 1.00 0.00 N ATOM 345 CA THR A 23 16.560 24.493 -4.077 1.00 0.00 C ATOM 346 C THR A 23 15.219 23.832 -3.617 1.00 0.00 C ATOM 347 O THR A 23 14.189 23.976 -4.295 1.00 0.00 O ATOM 348 CB THR A 23 17.258 25.325 -2.942 1.00 0.00 C ATOM 349 OG1 THR A 23 17.895 24.476 -1.957 1.00 0.00 O ATOM 350 CG2 THR A 23 16.290 26.261 -2.249 1.00 0.00 C ATOM 0 H THR A 23 15.743 26.162 -5.000 1.00 0.00 H new ATOM 0 HA THR A 23 17.252 23.692 -4.339 1.00 0.00 H new ATOM 0 HB THR A 23 18.026 25.919 -3.438 1.00 0.00 H new ATOM 0 HG1 THR A 23 17.273 24.309 -1.218 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.815 26.817 -1.472 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.875 26.959 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.483 25.682 -1.800 1.00 0.00 H new ATOM 358 N GLU A 24 15.222 23.137 -2.471 1.00 0.00 N ATOM 359 CA GLU A 24 14.031 22.431 -1.973 1.00 0.00 C ATOM 360 C GLU A 24 12.909 23.408 -1.688 1.00 0.00 C ATOM 361 O GLU A 24 11.753 23.154 -2.011 1.00 0.00 O ATOM 362 CB GLU A 24 14.317 21.655 -0.672 1.00 0.00 C ATOM 363 CG GLU A 24 15.634 20.909 -0.641 1.00 0.00 C ATOM 364 CD GLU A 24 16.789 21.773 -0.147 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.640 23.037 -0.081 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 17.847 21.223 0.197 1.00 0.00 O ATOM 0 H GLU A 24 16.040 23.048 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 24 13.744 21.729 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.296 22.356 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.510 20.941 -0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.537 20.036 0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.862 20.542 -1.642 1.00 0.00 H new ATOM 373 N GLY A 25 13.278 24.542 -1.105 1.00 0.00 N ATOM 374 CA GLY A 25 12.317 25.562 -0.709 1.00 0.00 C ATOM 375 C GLY A 25 11.451 26.036 -1.853 1.00 0.00 C ATOM 376 O GLY A 25 10.256 26.286 -1.671 1.00 0.00 O ATOM 0 H GLY A 25 14.247 24.779 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.680 25.165 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.852 26.414 -0.289 1.00 0.00 H new ATOM 380 N ASP A 26 12.039 26.107 -3.033 1.00 0.00 N ATOM 381 CA ASP A 26 11.333 26.534 -4.248 1.00 0.00 C ATOM 382 C ASP A 26 10.226 25.571 -4.556 1.00 0.00 C ATOM 383 O ASP A 26 9.077 25.951 -4.820 1.00 0.00 O ATOM 384 CB ASP A 26 12.286 26.551 -5.434 1.00 0.00 C ATOM 385 CG ASP A 26 13.348 27.586 -5.313 1.00 0.00 C ATOM 386 OD1 ASP A 26 13.105 28.730 -5.723 1.00 0.00 O ATOM 387 OD2 ASP A 26 14.443 27.277 -4.814 1.00 0.00 O1- ATOM 0 H ASP A 26 13.020 25.872 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 26 10.933 27.534 -4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.752 25.570 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.717 26.727 -6.347 1.00 0.00 H new ATOM 392 N ILE A 27 10.581 24.324 -4.468 1.00 0.00 N ATOM 393 CA ILE A 27 9.711 23.216 -4.740 1.00 0.00 C ATOM 394 C ILE A 27 8.540 23.204 -3.765 1.00 0.00 C ATOM 395 O ILE A 27 7.399 23.022 -4.176 1.00 0.00 O ATOM 396 CB ILE A 27 10.518 21.913 -4.668 1.00 0.00 C ATOM 397 CG1 ILE A 27 11.664 22.015 -5.669 1.00 0.00 C ATOM 398 CG2 ILE A 27 9.638 20.704 -4.983 1.00 0.00 C ATOM 399 CD1 ILE A 27 12.726 20.986 -5.498 1.00 0.00 C ATOM 0 H ILE A 27 11.521 24.038 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 27 9.295 23.313 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 27 10.907 21.774 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.257 21.935 -6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.116 23.003 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.235 19.794 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.823 20.650 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.227 20.805 -5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.500 21.133 -6.251 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.164 21.077 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.292 19.993 -5.613 1.00 0.00 H new ATOM 411 N LEU A 28 8.816 23.444 -2.479 1.00 0.00 N ATOM 412 CA LEU A 28 7.736 23.537 -1.493 1.00 0.00 C ATOM 413 C LEU A 28 6.812 24.686 -1.810 1.00 0.00 C ATOM 414 O LEU A 28 5.615 24.538 -1.728 1.00 0.00 O ATOM 415 CB LEU A 28 8.211 23.672 -0.029 1.00 0.00 C ATOM 416 CG LEU A 28 8.702 22.415 0.705 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.704 21.266 0.583 1.00 0.00 C ATOM 418 CD2 LEU A 28 10.079 22.009 0.265 1.00 0.00 C ATOM 0 H LEU A 28 9.755 23.575 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 28 7.212 22.584 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.019 24.403 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.387 24.092 0.549 1.00 0.00 H new ATOM 0 HG LEU A 28 8.772 22.669 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.086 20.394 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.750 21.566 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.563 21.017 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.386 21.116 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.072 21.798 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.780 22.818 0.470 1.00 0.00 H new ATOM 430 N THR A 29 7.380 25.805 -2.215 1.00 0.00 N ATOM 431 CA THR A 29 6.611 27.000 -2.527 1.00 0.00 C ATOM 432 C THR A 29 5.584 26.710 -3.649 1.00 0.00 C ATOM 433 O THR A 29 4.443 27.181 -3.608 1.00 0.00 O ATOM 434 CB THR A 29 7.561 28.157 -2.944 1.00 0.00 C ATOM 435 OG1 THR A 29 8.568 28.337 -1.926 1.00 0.00 O ATOM 436 CG2 THR A 29 6.800 29.469 -3.119 1.00 0.00 C ATOM 0 H THR A 29 8.387 25.914 -2.338 1.00 0.00 H new ATOM 0 HA THR A 29 6.064 27.303 -1.634 1.00 0.00 H new ATOM 0 HB THR A 29 8.018 27.891 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.270 27.663 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.495 30.257 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.042 29.349 -3.893 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.319 29.739 -2.179 1.00 0.00 H new ATOM 444 N VAL A 30 5.996 25.918 -4.625 1.00 0.00 N ATOM 445 CA VAL A 30 5.130 25.549 -5.734 1.00 0.00 C ATOM 446 C VAL A 30 4.169 24.392 -5.362 1.00 0.00 C ATOM 447 O VAL A 30 2.950 24.521 -5.475 1.00 0.00 O ATOM 448 CB VAL A 30 5.963 25.172 -6.996 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.063 24.821 -8.171 1.00 0.00 C ATOM 450 CG2 VAL A 30 6.903 26.308 -7.376 1.00 0.00 C ATOM 0 H VAL A 30 6.932 25.515 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 30 4.523 26.425 -5.964 1.00 0.00 H new ATOM 0 HB VAL A 30 6.555 24.291 -6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.676 24.563 -9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.434 23.971 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.434 25.677 -8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.476 26.026 -8.259 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.322 27.205 -7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.585 26.508 -6.550 1.00 0.00 H new ATOM 460 N PHE A 31 4.730 23.289 -4.881 1.00 0.00 N ATOM 461 CA PHE A 31 3.967 22.058 -4.607 1.00 0.00 C ATOM 462 C PHE A 31 3.034 22.172 -3.407 1.00 0.00 C ATOM 463 O PHE A 31 2.104 21.377 -3.263 1.00 0.00 O ATOM 464 CB PHE A 31 4.904 20.842 -4.438 1.00 0.00 C ATOM 465 CG PHE A 31 5.530 20.323 -5.721 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.338 21.131 -6.506 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.313 19.011 -6.127 1.00 0.00 C ATOM 468 CE1 PHE A 31 6.913 20.648 -7.667 1.00 0.00 C ATOM 469 CE2 PHE A 31 5.888 18.525 -7.287 1.00 0.00 C ATOM 470 CZ PHE A 31 6.686 19.344 -8.056 1.00 0.00 C ATOM 0 H PHE A 31 5.724 23.214 -4.667 1.00 0.00 H new ATOM 0 HA PHE A 31 3.336 21.907 -5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.702 21.112 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.341 20.032 -3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.521 22.152 -6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.688 18.364 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.539 21.291 -8.268 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.712 17.504 -7.590 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.134 18.965 -8.963 1.00 0.00 H new ATOM 480 N SER A 32 3.250 23.162 -2.560 1.00 0.00 N ATOM 481 CA SER A 32 2.421 23.325 -1.387 1.00 0.00 C ATOM 482 C SER A 32 1.012 23.827 -1.764 1.00 0.00 C ATOM 483 O SER A 32 0.128 23.906 -0.914 1.00 0.00 O ATOM 484 CB SER A 32 3.074 24.218 -0.327 1.00 0.00 C ATOM 485 OG SER A 32 2.401 24.144 0.934 1.00 0.00 O ATOM 0 H SER A 32 3.988 23.859 -2.664 1.00 0.00 H new ATOM 0 HA SER A 32 2.314 22.339 -0.936 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.116 23.924 -0.198 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.075 25.251 -0.676 1.00 0.00 H new ATOM 0 HG SER A 32 1.855 23.331 0.966 1.00 0.00 H new ATOM 491 N GLU A 33 0.807 24.196 -3.029 1.00 0.00 N ATOM 492 CA GLU A 33 -0.530 24.564 -3.497 1.00 0.00 C ATOM 493 C GLU A 33 -1.466 23.334 -3.362 1.00 0.00 C ATOM 494 O GLU A 33 -2.687 23.459 -3.258 1.00 0.00 O ATOM 495 CB GLU A 33 -0.496 25.016 -4.969 1.00 0.00 C ATOM 496 CG GLU A 33 -1.835 25.561 -5.461 1.00 0.00 C ATOM 497 CD GLU A 33 -1.899 25.768 -6.956 1.00 0.00 C ATOM 498 OE1 GLU A 33 -1.389 26.784 -7.446 1.00 0.00 O ATOM 499 OE2 GLU A 33 -2.496 24.925 -7.657 1.00 0.00 O1- ATOM 0 H GLU A 33 1.538 24.248 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.897 25.393 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.268 25.784 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.202 24.173 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.627 24.873 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.035 26.510 -4.964 1.00 0.00 H new ATOM 506 N TYR A 34 -0.855 22.155 -3.325 1.00 0.00 N ATOM 507 CA TYR A 34 -1.574 20.903 -3.246 1.00 0.00 C ATOM 508 C TYR A 34 -1.398 20.273 -1.881 1.00 0.00 C ATOM 509 O TYR A 34 -1.470 19.059 -1.732 1.00 0.00 O ATOM 510 CB TYR A 34 -1.098 19.969 -4.365 1.00 0.00 C ATOM 511 CG TYR A 34 -1.219 20.646 -5.694 1.00 0.00 C ATOM 512 CD1 TYR A 34 -2.466 20.984 -6.189 1.00 0.00 C ATOM 513 CD2 TYR A 34 -0.097 21.036 -6.410 1.00 0.00 C ATOM 514 CE1 TYR A 34 -2.597 21.669 -7.361 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.223 21.745 -7.579 1.00 0.00 C ATOM 516 CZ TYR A 34 -1.477 22.054 -8.049 1.00 0.00 C ATOM 517 OH TYR A 34 -1.613 22.800 -9.176 1.00 0.00 O ATOM 0 H TYR A 34 0.159 22.048 -3.349 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.640 21.087 -3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.062 19.679 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.690 19.054 -4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.351 20.701 -5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.886 20.779 -6.044 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.578 21.907 -7.744 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.655 22.057 -8.124 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.942 23.692 -8.940 1.00 0.00 H new ATOM 527 N GLY A 35 -1.200 21.113 -0.887 1.00 0.00 N ATOM 528 CA GLY A 35 -1.113 20.645 0.470 1.00 0.00 C ATOM 529 C GLY A 35 0.267 20.809 1.042 1.00 0.00 C ATOM 530 O GLY A 35 0.959 21.784 0.749 1.00 0.00 O ATOM 0 H GLY A 35 -1.097 22.122 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.827 21.191 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.397 19.593 0.508 1.00 0.00 H new ATOM 534 N VAL A 36 0.669 19.891 1.871 1.00 0.00 N ATOM 535 CA VAL A 36 1.984 19.937 2.456 1.00 0.00 C ATOM 536 C VAL A 36 2.669 18.597 2.224 1.00 0.00 C ATOM 537 O VAL A 36 2.243 17.574 2.772 1.00 0.00 O ATOM 538 CB VAL A 36 1.947 20.224 3.970 1.00 0.00 C ATOM 539 CG1 VAL A 36 3.334 20.576 4.488 1.00 0.00 C ATOM 540 CG2 VAL A 36 0.962 21.315 4.299 1.00 0.00 C ATOM 0 H VAL A 36 0.103 19.094 2.161 1.00 0.00 H new ATOM 0 HA VAL A 36 2.531 20.751 1.981 1.00 0.00 H new ATOM 0 HB VAL A 36 1.614 19.315 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.283 20.774 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.013 19.743 4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.701 21.463 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.961 21.492 5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.247 22.231 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.036 21.013 3.980 1.00 0.00 H new ATOM 550 N PRO A 37 3.678 18.571 1.355 1.00 0.00 N ATOM 551 CA PRO A 37 4.447 17.352 1.045 1.00 0.00 C ATOM 552 C PRO A 37 5.142 16.770 2.291 1.00 0.00 C ATOM 553 O PRO A 37 5.591 17.517 3.150 1.00 0.00 O ATOM 554 CB PRO A 37 5.501 17.864 0.044 1.00 0.00 C ATOM 555 CG PRO A 37 4.914 19.098 -0.531 1.00 0.00 C ATOM 556 CD PRO A 37 4.153 19.728 0.579 1.00 0.00 C ATOM 0 HA PRO A 37 3.816 16.548 0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.449 18.072 0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.702 17.124 -0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.691 19.766 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.262 18.867 -1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.784 20.384 1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.325 20.332 0.208 1.00 0.00 H new ATOM 564 N VAL A 38 5.210 15.437 2.390 1.00 0.00 N ATOM 565 CA VAL A 38 5.894 14.795 3.530 1.00 0.00 C ATOM 566 C VAL A 38 7.346 14.532 3.203 1.00 0.00 C ATOM 567 O VAL A 38 8.192 14.463 4.078 1.00 0.00 O ATOM 568 CB VAL A 38 5.229 13.456 4.003 1.00 0.00 C ATOM 569 CG1 VAL A 38 3.887 13.701 4.642 1.00 0.00 C ATOM 570 CG2 VAL A 38 5.090 12.455 2.861 1.00 0.00 C ATOM 0 H VAL A 38 4.810 14.789 1.712 1.00 0.00 H new ATOM 0 HA VAL A 38 5.806 15.505 4.352 1.00 0.00 H new ATOM 0 HB VAL A 38 5.895 13.026 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.455 12.751 4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.010 14.350 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.223 14.180 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.625 11.542 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.470 12.884 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.076 12.222 2.459 1.00 0.00 H new ATOM 580 N ASP A 39 7.622 14.390 1.940 1.00 0.00 N ATOM 581 CA ASP A 39 8.953 14.110 1.471 1.00 0.00 C ATOM 582 C ASP A 39 9.245 14.945 0.293 1.00 0.00 C ATOM 583 O ASP A 39 8.448 14.996 -0.637 1.00 0.00 O ATOM 584 CB ASP A 39 9.090 12.653 1.048 1.00 0.00 C ATOM 585 CG ASP A 39 9.404 11.692 2.150 1.00 0.00 C ATOM 586 OD1 ASP A 39 8.485 11.220 2.824 1.00 0.00 O ATOM 587 OD2 ASP A 39 10.570 11.332 2.326 1.00 0.00 O1- ATOM 0 H ASP A 39 6.926 14.465 1.198 1.00 0.00 H new ATOM 0 HA ASP A 39 9.644 14.322 2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.160 12.342 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.874 12.583 0.294 1.00 0.00 H new ATOM 592 N VAL A 40 10.337 15.620 0.338 1.00 0.00 N ATOM 593 CA VAL A 40 10.829 16.367 -0.775 1.00 0.00 C ATOM 594 C VAL A 40 12.316 16.525 -0.630 1.00 0.00 C ATOM 595 O VAL A 40 12.807 16.993 0.377 1.00 0.00 O ATOM 596 CB VAL A 40 10.115 17.738 -0.966 1.00 0.00 C ATOM 597 CG1 VAL A 40 10.151 18.559 0.288 1.00 0.00 C ATOM 598 CG2 VAL A 40 10.712 18.512 -2.137 1.00 0.00 C ATOM 0 H VAL A 40 10.930 15.673 1.166 1.00 0.00 H new ATOM 0 HA VAL A 40 10.604 15.809 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 40 9.070 17.529 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.643 19.508 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.649 18.019 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.187 18.747 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.193 19.465 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.770 18.694 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.599 17.931 -3.052 1.00 0.00 H new ATOM 608 N ILE A 41 13.016 16.067 -1.594 1.00 0.00 N ATOM 609 CA ILE A 41 14.441 16.127 -1.581 1.00 0.00 C ATOM 610 C ILE A 41 14.956 16.568 -2.904 1.00 0.00 C ATOM 611 O ILE A 41 14.527 16.073 -3.951 1.00 0.00 O ATOM 612 CB ILE A 41 15.164 14.798 -1.136 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.688 13.519 -1.902 1.00 0.00 C ATOM 614 CG2 ILE A 41 15.080 14.606 0.369 1.00 0.00 C ATOM 615 CD1 ILE A 41 13.307 12.982 -1.525 1.00 0.00 C ATOM 0 H ILE A 41 12.621 15.633 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 41 14.683 16.860 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 41 16.210 14.927 -1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.691 13.738 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.420 12.728 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.587 13.682 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.559 15.447 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.034 14.551 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.086 12.096 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.295 12.721 -0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.554 13.746 -1.719 1.00 0.00 H new ATOM 627 N LEU A 42 15.836 17.504 -2.875 1.00 0.00 N ATOM 628 CA LEU A 42 16.448 17.986 -4.062 1.00 0.00 C ATOM 629 C LEU A 42 17.707 17.160 -4.214 1.00 0.00 C ATOM 630 O LEU A 42 18.396 16.891 -3.225 1.00 0.00 O ATOM 631 CB LEU A 42 16.743 19.514 -3.902 1.00 0.00 C ATOM 632 CG LEU A 42 17.163 20.359 -5.147 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.475 19.940 -5.720 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.116 20.319 -6.217 1.00 0.00 C ATOM 0 H LEU A 42 16.154 17.961 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 42 15.823 17.889 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.849 19.975 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.533 19.616 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 42 17.270 21.381 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.712 20.564 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.254 20.052 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.419 18.897 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.442 20.918 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.961 19.288 -6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.181 20.722 -5.827 1.00 0.00 H new ATOM 646 N SER A 43 17.984 16.706 -5.402 1.00 0.00 N ATOM 647 CA SER A 43 19.162 15.936 -5.634 1.00 0.00 C ATOM 648 C SER A 43 20.340 16.905 -5.631 1.00 0.00 C ATOM 649 O SER A 43 20.624 17.567 -6.621 1.00 0.00 O ATOM 650 CB SER A 43 19.045 15.159 -6.968 1.00 0.00 C ATOM 651 OG SER A 43 20.089 14.203 -7.151 1.00 0.00 O ATOM 0 H SER A 43 17.404 16.859 -6.227 1.00 0.00 H new ATOM 0 HA SER A 43 19.306 15.185 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.083 14.648 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.059 15.867 -7.797 1.00 0.00 H new ATOM 0 HG SER A 43 19.964 13.742 -8.007 1.00 0.00 H new ATOM 657 N ARG A 44 20.913 17.078 -4.474 1.00 0.00 N ATOM 658 CA ARG A 44 22.022 17.972 -4.279 1.00 0.00 C ATOM 659 C ARG A 44 23.272 17.151 -4.157 1.00 0.00 C ATOM 660 O ARG A 44 23.212 15.994 -3.758 1.00 0.00 O ATOM 661 CB ARG A 44 21.819 18.806 -2.998 1.00 0.00 C ATOM 662 CG ARG A 44 20.523 19.607 -2.977 1.00 0.00 C ATOM 663 CD ARG A 44 20.296 20.364 -1.677 1.00 0.00 C ATOM 664 NE ARG A 44 21.247 21.453 -1.510 1.00 0.00 N ATOM 665 CZ ARG A 44 21.139 22.471 -0.643 1.00 0.00 C ATOM 666 NH1 ARG A 44 20.083 22.611 0.126 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 22.098 23.372 -0.583 1.00 0.00 N ATOM 0 H ARG A 44 20.619 16.595 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 44 22.098 18.656 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.835 18.139 -2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.659 19.491 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.531 20.317 -3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 44 19.685 18.931 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.282 20.762 -1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 44 20.381 19.675 -0.836 1.00 0.00 H new ATOM 0 HE ARG A 44 22.073 21.441 -2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.320 21.936 0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 44 20.026 23.394 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 44 22.912 23.291 -1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 44 22.026 24.150 0.072 1.00 0.00 H new ATOM 681 N ASP A 45 24.384 17.710 -4.546 1.00 0.00 N ATOM 682 CA ASP A 45 25.662 17.017 -4.407 1.00 0.00 C ATOM 683 C ASP A 45 26.118 17.103 -2.953 1.00 0.00 C ATOM 684 O ASP A 45 25.869 18.113 -2.295 1.00 0.00 O ATOM 685 CB ASP A 45 26.707 17.630 -5.326 1.00 0.00 C ATOM 686 CG ASP A 45 28.039 16.926 -5.233 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.261 15.958 -5.990 1.00 0.00 O ATOM 688 OD2 ASP A 45 28.868 17.319 -4.388 1.00 0.00 O1- ATOM 0 H ASP A 45 24.445 18.639 -4.962 1.00 0.00 H new ATOM 0 HA ASP A 45 25.538 15.972 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.350 17.591 -6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.837 18.682 -5.073 1.00 0.00 H new ATOM 693 N GLU A 46 26.789 16.078 -2.460 1.00 0.00 N ATOM 694 CA GLU A 46 27.168 16.016 -1.052 1.00 0.00 C ATOM 695 C GLU A 46 28.331 16.972 -0.716 1.00 0.00 C ATOM 696 O GLU A 46 28.446 17.438 0.413 1.00 0.00 O ATOM 697 CB GLU A 46 27.538 14.576 -0.651 1.00 0.00 C ATOM 698 CG GLU A 46 27.642 14.363 0.861 1.00 0.00 C ATOM 699 CD GLU A 46 28.117 12.981 1.244 1.00 0.00 C ATOM 700 OE1 GLU A 46 27.333 12.011 1.174 1.00 0.00 O ATOM 701 OE2 GLU A 46 29.294 12.839 1.649 1.00 0.00 O1- ATOM 0 H GLU A 46 27.085 15.273 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 46 26.300 16.338 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.790 13.893 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 46 28.490 14.314 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 46 28.326 15.102 1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.666 14.541 1.313 1.00 0.00 H new ATOM 708 N ASN A 47 29.145 17.297 -1.694 1.00 0.00 N ATOM 709 CA ASN A 47 30.365 18.085 -1.463 1.00 0.00 C ATOM 710 C ASN A 47 30.075 19.555 -1.591 1.00 0.00 C ATOM 711 O ASN A 47 30.384 20.360 -0.709 1.00 0.00 O ATOM 712 CB ASN A 47 31.440 17.750 -2.504 1.00 0.00 C ATOM 713 CG ASN A 47 31.732 16.285 -2.640 1.00 0.00 C ATOM 714 OD1 ASN A 47 32.598 15.742 -1.953 1.00 0.00 O ATOM 715 ND2 ASN A 47 31.020 15.634 -3.532 1.00 0.00 N ATOM 0 H ASN A 47 28.995 17.033 -2.668 1.00 0.00 H new ATOM 0 HA ASN A 47 30.715 17.842 -0.460 1.00 0.00 H new ATOM 0 HB2 ASN A 47 31.124 18.137 -3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.361 18.269 -2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 47 31.174 14.636 -3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 47 30.313 16.126 -4.078 1.00 0.00 H new ATOM 722 N THR A 48 29.493 19.908 -2.687 1.00 0.00 N ATOM 723 CA THR A 48 29.252 21.288 -2.995 1.00 0.00 C ATOM 724 C THR A 48 27.891 21.751 -2.468 1.00 0.00 C ATOM 725 O THR A 48 27.681 22.935 -2.212 1.00 0.00 O ATOM 726 CB THR A 48 29.420 21.555 -4.525 1.00 0.00 C ATOM 727 OG1 THR A 48 28.980 22.866 -4.888 1.00 0.00 O ATOM 728 CG2 THR A 48 28.702 20.509 -5.342 1.00 0.00 C ATOM 0 H THR A 48 29.169 19.253 -3.398 1.00 0.00 H new ATOM 0 HA THR A 48 30.003 21.887 -2.480 1.00 0.00 H new ATOM 0 HB THR A 48 30.486 21.492 -4.745 1.00 0.00 H new ATOM 0 HG1 THR A 48 28.768 22.887 -5.845 1.00 0.00 H new ATOM 0 HG21 THR A 48 28.836 20.720 -6.403 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.111 19.525 -5.114 1.00 0.00 H new ATOM 0 HG23 THR A 48 27.639 20.525 -5.101 1.00 0.00 H new ATOM 736 N GLY A 49 26.983 20.810 -2.268 1.00 0.00 N ATOM 737 CA GLY A 49 25.671 21.141 -1.785 1.00 0.00 C ATOM 738 C GLY A 49 24.789 21.787 -2.832 1.00 0.00 C ATOM 739 O GLY A 49 23.691 22.209 -2.529 1.00 0.00 O ATOM 0 H GLY A 49 27.139 19.816 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.187 20.235 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.765 21.815 -0.934 1.00 0.00 H new ATOM 743 N GLU A 50 25.244 21.848 -4.065 1.00 0.00 N ATOM 744 CA GLU A 50 24.465 22.501 -5.099 1.00 0.00 C ATOM 745 C GLU A 50 23.524 21.518 -5.776 1.00 0.00 C ATOM 746 O GLU A 50 23.720 20.290 -5.695 1.00 0.00 O ATOM 747 CB GLU A 50 25.358 23.231 -6.115 1.00 0.00 C ATOM 748 CG GLU A 50 26.293 22.340 -6.907 1.00 0.00 C ATOM 749 CD GLU A 50 27.213 23.125 -7.801 1.00 0.00 C ATOM 750 OE1 GLU A 50 26.779 23.603 -8.863 1.00 0.00 O1- ATOM 751 OE2 GLU A 50 28.391 23.314 -7.439 1.00 0.00 O ATOM 0 H GLU A 50 26.135 21.460 -4.375 1.00 0.00 H new ATOM 0 HA GLU A 50 23.853 23.264 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.720 23.773 -6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.953 23.974 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 50 26.886 21.738 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.706 21.648 -7.512 1.00 0.00 H new ATOM 758 N SER A 51 22.507 22.056 -6.392 1.00 0.00 N ATOM 759 CA SER A 51 21.481 21.311 -7.069 1.00 0.00 C ATOM 760 C SER A 51 22.016 20.601 -8.319 1.00 0.00 C ATOM 761 O SER A 51 22.741 21.190 -9.108 1.00 0.00 O ATOM 762 CB SER A 51 20.395 22.298 -7.448 1.00 0.00 C ATOM 763 OG SER A 51 19.998 23.031 -6.299 1.00 0.00 O ATOM 0 H SER A 51 22.365 23.065 -6.438 1.00 0.00 H new ATOM 0 HA SER A 51 21.098 20.530 -6.412 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.760 22.978 -8.218 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.539 21.770 -7.869 1.00 0.00 H new ATOM 0 HG SER A 51 19.079 23.351 -6.417 1.00 0.00 H new ATOM 769 N GLN A 52 21.657 19.329 -8.475 1.00 0.00 N ATOM 770 CA GLN A 52 22.049 18.548 -9.654 1.00 0.00 C ATOM 771 C GLN A 52 20.962 18.612 -10.737 1.00 0.00 C ATOM 772 O GLN A 52 21.011 17.873 -11.720 1.00 0.00 O ATOM 773 CB GLN A 52 22.294 17.080 -9.285 1.00 0.00 C ATOM 774 CG GLN A 52 23.344 16.844 -8.212 1.00 0.00 C ATOM 775 CD GLN A 52 23.578 15.363 -7.968 1.00 0.00 C ATOM 776 OE1 GLN A 52 23.457 14.540 -8.881 1.00 0.00 O ATOM 777 NE2 GLN A 52 23.891 15.003 -6.753 1.00 0.00 N ATOM 0 H GLN A 52 21.094 18.813 -7.800 1.00 0.00 H new ATOM 0 HA GLN A 52 22.972 18.982 -10.038 1.00 0.00 H new ATOM 0 HB2 GLN A 52 21.352 16.645 -8.950 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.591 16.542 -10.185 1.00 0.00 H new ATOM 0 HG2 GLN A 52 24.280 17.316 -8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 52 23.028 17.320 -7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 52 23.984 15.707 -6.020 1.00 0.00 H new ATOM 0 HE22 GLN A 52 24.043 14.018 -6.536 1.00 0.00 H new ATOM 786 N GLY A 53 19.982 19.485 -10.540 1.00 0.00 N ATOM 787 CA GLY A 53 18.900 19.649 -11.514 1.00 0.00 C ATOM 788 C GLY A 53 17.747 18.642 -11.376 1.00 0.00 C ATOM 789 O GLY A 53 16.828 18.633 -12.205 1.00 0.00 O ATOM 0 H GLY A 53 19.910 20.089 -9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.496 20.657 -11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.318 19.565 -12.517 1.00 0.00 H new ATOM 793 N PHE A 54 17.781 17.809 -10.346 1.00 0.00 N ATOM 794 CA PHE A 54 16.720 16.813 -10.130 1.00 0.00 C ATOM 795 C PHE A 54 16.183 16.927 -8.716 1.00 0.00 C ATOM 796 O PHE A 54 16.879 17.416 -7.823 1.00 0.00 O ATOM 797 CB PHE A 54 17.233 15.370 -10.325 1.00 0.00 C ATOM 798 CG PHE A 54 17.805 15.045 -11.674 1.00 0.00 C ATOM 799 CD1 PHE A 54 16.988 14.602 -12.696 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.165 15.155 -11.908 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.514 14.280 -13.929 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.697 14.831 -13.138 1.00 0.00 C ATOM 803 CZ PHE A 54 18.872 14.393 -14.148 1.00 0.00 C ATOM 0 H PHE A 54 18.523 17.796 -9.646 1.00 0.00 H new ATOM 0 HA PHE A 54 15.941 17.016 -10.864 1.00 0.00 H new ATOM 0 HB2 PHE A 54 17.997 15.174 -9.573 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.409 14.684 -10.128 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.926 14.507 -12.527 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.817 15.498 -11.118 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.865 13.940 -14.722 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.760 14.921 -13.308 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.287 14.138 -15.112 1.00 0.00 H new ATOM 813 N ALA A 55 14.973 16.473 -8.513 1.00 0.00 N ATOM 814 CA ALA A 55 14.350 16.435 -7.209 1.00 0.00 C ATOM 815 C ALA A 55 13.390 15.258 -7.137 1.00 0.00 C ATOM 816 O ALA A 55 13.018 14.688 -8.167 1.00 0.00 O ATOM 817 CB ALA A 55 13.613 17.734 -6.915 1.00 0.00 C ATOM 0 H ALA A 55 14.380 16.112 -9.261 1.00 0.00 H new ATOM 0 HA ALA A 55 15.129 16.315 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.154 17.677 -5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.317 18.566 -6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.839 17.891 -7.666 1.00 0.00 H new ATOM 823 N TYR A 56 13.024 14.879 -5.939 1.00 0.00 N ATOM 824 CA TYR A 56 12.088 13.797 -5.697 1.00 0.00 C ATOM 825 C TYR A 56 11.156 14.256 -4.605 1.00 0.00 C ATOM 826 O TYR A 56 11.592 14.946 -3.686 1.00 0.00 O ATOM 827 CB TYR A 56 12.822 12.525 -5.229 1.00 0.00 C ATOM 828 CG TYR A 56 13.918 12.060 -6.156 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.634 11.274 -7.256 1.00 0.00 C ATOM 830 CD2 TYR A 56 15.240 12.428 -5.932 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.633 10.859 -8.113 1.00 0.00 C ATOM 832 CE2 TYR A 56 16.244 12.023 -6.780 1.00 0.00 C ATOM 833 CZ TYR A 56 15.935 11.239 -7.873 1.00 0.00 C ATOM 834 OH TYR A 56 16.938 10.828 -8.728 1.00 0.00 O ATOM 0 H TYR A 56 13.371 15.318 -5.086 1.00 0.00 H new ATOM 0 HA TYR A 56 11.552 13.557 -6.615 1.00 0.00 H new ATOM 0 HB2 TYR A 56 13.250 12.709 -4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.094 11.722 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.613 10.979 -7.449 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.482 13.042 -5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.396 10.241 -8.966 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.266 12.316 -6.592 1.00 0.00 H new ATOM 0 HH TYR A 56 17.798 11.183 -8.418 1.00 0.00 H new ATOM 844 N LEU A 57 9.905 13.923 -4.694 1.00 0.00 N ATOM 845 CA LEU A 57 8.952 14.354 -3.695 1.00 0.00 C ATOM 846 C LEU A 57 7.862 13.303 -3.547 1.00 0.00 C ATOM 847 O LEU A 57 7.672 12.497 -4.442 1.00 0.00 O ATOM 848 CB LEU A 57 8.383 15.745 -4.139 1.00 0.00 C ATOM 849 CG LEU A 57 7.429 16.513 -3.195 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.473 17.989 -3.518 1.00 0.00 C ATOM 851 CD2 LEU A 57 6.003 16.045 -3.366 1.00 0.00 C ATOM 0 H LEU A 57 9.512 13.355 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 57 9.421 14.467 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.233 16.395 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.859 15.597 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 57 7.754 16.327 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.800 18.528 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.489 18.360 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.162 18.145 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.354 16.602 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.686 16.214 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.939 14.981 -3.136 1.00 0.00 H new ATOM 863 N LYS A 58 7.215 13.266 -2.398 1.00 0.00 N ATOM 864 CA LYS A 58 6.043 12.446 -2.218 1.00 0.00 C ATOM 865 C LYS A 58 5.108 13.099 -1.220 1.00 0.00 C ATOM 866 O LYS A 58 5.538 13.614 -0.165 1.00 0.00 O ATOM 867 CB LYS A 58 6.324 10.964 -1.852 1.00 0.00 C ATOM 868 CG LYS A 58 6.721 10.676 -0.428 1.00 0.00 C ATOM 869 CD LYS A 58 6.472 9.218 -0.116 1.00 0.00 C ATOM 870 CE LYS A 58 5.989 9.038 1.305 1.00 0.00 C ATOM 871 NZ LYS A 58 7.063 9.105 2.327 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.487 13.800 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 58 5.564 12.389 -3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.430 10.383 -2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.116 10.598 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.774 10.916 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.150 11.307 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.732 8.817 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.390 8.649 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.246 9.805 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.486 8.075 1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.638 9.143 3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.667 8.262 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.638 9.957 2.171 1.00 0.00 H new ATOM 885 N TYR A 59 3.864 13.177 -1.586 1.00 0.00 N ATOM 886 CA TYR A 59 2.843 13.711 -0.723 1.00 0.00 C ATOM 887 C TYR A 59 2.180 12.529 -0.023 1.00 0.00 C ATOM 888 O TYR A 59 2.151 11.429 -0.585 1.00 0.00 O ATOM 889 CB TYR A 59 1.813 14.489 -1.572 1.00 0.00 C ATOM 890 CG TYR A 59 0.792 15.255 -0.769 1.00 0.00 C ATOM 891 CD1 TYR A 59 -0.363 14.648 -0.309 1.00 0.00 C ATOM 892 CD2 TYR A 59 0.996 16.576 -0.460 1.00 0.00 C ATOM 893 CE1 TYR A 59 -1.286 15.342 0.441 1.00 0.00 C ATOM 894 CE2 TYR A 59 0.088 17.272 0.287 1.00 0.00 C ATOM 895 CZ TYR A 59 -1.052 16.657 0.736 1.00 0.00 C ATOM 896 OH TYR A 59 -1.949 17.357 1.514 1.00 0.00 O ATOM 0 H TYR A 59 3.522 12.871 -2.497 1.00 0.00 H new ATOM 0 HA TYR A 59 3.262 14.397 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.346 15.186 -2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.292 13.786 -2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.544 13.609 -0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.888 17.073 -0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.183 14.854 0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.269 18.310 0.524 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.469 17.814 2.236 1.00 0.00 H new ATOM 906 N GLU A 60 1.654 12.715 1.178 1.00 0.00 N ATOM 907 CA GLU A 60 1.005 11.617 1.854 1.00 0.00 C ATOM 908 C GLU A 60 -0.444 11.546 1.388 1.00 0.00 C ATOM 909 O GLU A 60 -1.369 12.007 2.057 1.00 0.00 O ATOM 910 CB GLU A 60 1.124 11.730 3.371 1.00 0.00 C ATOM 911 CG GLU A 60 1.068 10.394 4.100 1.00 0.00 C ATOM 912 CD GLU A 60 -0.256 9.688 4.015 1.00 0.00 C ATOM 913 OE1 GLU A 60 -1.167 10.012 4.806 1.00 0.00 O ATOM 914 OE2 GLU A 60 -0.402 8.776 3.169 1.00 0.00 O1- ATOM 0 H GLU A 60 1.665 13.597 1.690 1.00 0.00 H new ATOM 0 HA GLU A 60 1.506 10.685 1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.063 12.226 3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.321 12.368 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.840 9.741 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.310 10.558 5.150 1.00 0.00 H new ATOM 921 N ASP A 61 -0.554 11.061 0.187 1.00 0.00 N ATOM 922 CA ASP A 61 -1.769 10.855 -0.602 1.00 0.00 C ATOM 923 C ASP A 61 -1.300 10.706 -2.027 1.00 0.00 C ATOM 924 O ASP A 61 -0.753 11.658 -2.616 1.00 0.00 O ATOM 925 CB ASP A 61 -2.770 12.033 -0.532 1.00 0.00 C ATOM 926 CG ASP A 61 -3.993 11.801 -1.381 1.00 0.00 C ATOM 927 OD1 ASP A 61 -3.941 12.073 -2.582 1.00 0.00 O1- ATOM 928 OD2 ASP A 61 -5.020 11.335 -0.858 1.00 0.00 O ATOM 0 H ASP A 61 0.275 10.766 -0.329 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.303 9.988 -0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.074 12.186 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.274 12.947 -0.857 1.00 0.00 H new ATOM 933 N GLN A 62 -1.461 9.536 -2.583 1.00 0.00 N ATOM 934 CA GLN A 62 -0.947 9.272 -3.914 1.00 0.00 C ATOM 935 C GLN A 62 -1.702 10.046 -5.017 1.00 0.00 C ATOM 936 O GLN A 62 -1.153 10.318 -6.070 1.00 0.00 O ATOM 937 CB GLN A 62 -0.811 7.740 -4.168 1.00 0.00 C ATOM 938 CG GLN A 62 -0.322 7.337 -5.567 1.00 0.00 C ATOM 939 CD GLN A 62 -1.450 6.936 -6.510 1.00 0.00 C ATOM 940 OE1 GLN A 62 -2.588 7.391 -6.386 1.00 0.00 O ATOM 941 NE2 GLN A 62 -1.130 6.139 -7.485 1.00 0.00 N ATOM 0 H GLN A 62 -1.940 8.750 -2.144 1.00 0.00 H new ATOM 0 HA GLN A 62 0.065 9.673 -3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.123 7.328 -3.430 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.781 7.274 -3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.229 8.169 -6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.377 6.506 -5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.178 5.780 -7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.831 5.873 -8.177 1.00 0.00 H new ATOM 950 N ARG A 63 -2.903 10.501 -4.728 1.00 0.00 N ATOM 951 CA ARG A 63 -3.696 11.207 -5.734 1.00 0.00 C ATOM 952 C ARG A 63 -3.246 12.657 -5.856 1.00 0.00 C ATOM 953 O ARG A 63 -3.193 13.208 -6.947 1.00 0.00 O ATOM 954 CB ARG A 63 -5.217 11.121 -5.466 1.00 0.00 C ATOM 955 CG ARG A 63 -5.836 9.738 -5.693 1.00 0.00 C ATOM 956 CD ARG A 63 -5.373 8.702 -4.675 1.00 0.00 C ATOM 957 NE ARG A 63 -5.821 7.345 -5.012 1.00 0.00 N ATOM 958 CZ ARG A 63 -5.872 6.314 -4.154 1.00 0.00 C ATOM 959 NH1 ARG A 63 -5.599 6.493 -2.867 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -6.228 5.123 -4.586 1.00 0.00 N ATOM 0 H ARG A 63 -3.354 10.401 -3.819 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.519 10.704 -6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.407 11.423 -4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.725 11.840 -6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.922 9.821 -5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.582 9.393 -6.695 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.285 8.718 -4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.751 8.972 -3.689 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.116 7.172 -5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.348 7.420 -2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.640 5.704 -2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.464 4.986 -5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.268 4.336 -3.938 1.00 0.00 H new ATOM 974 N SER A 64 -2.820 13.227 -4.750 1.00 0.00 N ATOM 975 CA SER A 64 -2.387 14.617 -4.713 1.00 0.00 C ATOM 976 C SER A 64 -1.009 14.669 -5.357 1.00 0.00 C ATOM 977 O SER A 64 -0.607 15.641 -6.001 1.00 0.00 O ATOM 978 CB SER A 64 -2.348 15.095 -3.260 1.00 0.00 C ATOM 979 OG SER A 64 -3.598 14.823 -2.605 1.00 0.00 O ATOM 0 H SER A 64 -2.762 12.747 -3.852 1.00 0.00 H new ATOM 0 HA SER A 64 -3.070 15.272 -5.253 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.537 14.597 -2.729 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.140 16.164 -3.229 1.00 0.00 H new ATOM 0 HG SER A 64 -3.751 13.855 -2.581 1.00 0.00 H new ATOM 985 N THR A 65 -0.348 13.558 -5.217 1.00 0.00 N ATOM 986 CA THR A 65 0.900 13.272 -5.812 1.00 0.00 C ATOM 987 C THR A 65 0.750 13.248 -7.366 1.00 0.00 C ATOM 988 O THR A 65 1.496 13.930 -8.092 1.00 0.00 O ATOM 989 CB THR A 65 1.348 11.924 -5.226 1.00 0.00 C ATOM 990 OG1 THR A 65 1.722 12.080 -3.843 1.00 0.00 O ATOM 991 CG2 THR A 65 2.426 11.268 -6.004 1.00 0.00 C ATOM 0 H THR A 65 -0.698 12.788 -4.647 1.00 0.00 H new ATOM 0 HA THR A 65 1.655 14.029 -5.601 1.00 0.00 H new ATOM 0 HB THR A 65 0.491 11.254 -5.292 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.930 11.973 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.691 10.322 -5.532 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.079 11.082 -7.021 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.301 11.917 -6.032 1.00 0.00 H new ATOM 999 N ILE A 66 -0.267 12.529 -7.856 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.558 12.469 -9.292 1.00 0.00 C ATOM 1001 C ILE A 66 -0.967 13.844 -9.796 1.00 0.00 C ATOM 1002 O ILE A 66 -0.646 14.222 -10.906 1.00 0.00 O ATOM 1003 CB ILE A 66 -1.697 11.462 -9.608 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.315 10.072 -9.138 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.016 11.436 -11.113 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -2.439 9.090 -9.248 1.00 0.00 C ATOM 0 H ILE A 66 -0.903 11.980 -7.277 1.00 0.00 H new ATOM 0 HA ILE A 66 0.350 12.134 -9.794 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.590 11.789 -9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.469 9.715 -9.725 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.984 10.123 -8.101 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.817 10.722 -11.303 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.331 12.429 -11.435 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.126 11.139 -11.668 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.105 8.114 -8.897 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.278 9.427 -8.639 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.754 9.013 -10.289 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.656 14.592 -8.960 1.00 0.00 N ATOM 1019 CA LEU A 67 -2.100 15.920 -9.321 1.00 0.00 C ATOM 1020 C LEU A 67 -0.912 16.845 -9.576 1.00 0.00 C ATOM 1021 O LEU A 67 -0.951 17.683 -10.483 1.00 0.00 O ATOM 1022 CB LEU A 67 -3.029 16.495 -8.264 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.660 17.838 -8.604 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.402 17.745 -9.926 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -4.601 18.268 -7.499 1.00 0.00 C ATOM 0 H LEU A 67 -1.922 14.299 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.666 15.842 -10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.827 15.776 -8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.471 16.601 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.872 18.585 -8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.850 18.711 -10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.704 17.467 -10.716 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.185 16.990 -9.851 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.046 19.230 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.388 17.524 -7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.047 18.361 -6.565 1.00 0.00 H new ATOM 1037 N ALA A 68 0.144 16.681 -8.795 1.00 0.00 N ATOM 1038 CA ALA A 68 1.359 17.436 -9.017 1.00 0.00 C ATOM 1039 C ALA A 68 1.932 17.063 -10.383 1.00 0.00 C ATOM 1040 O ALA A 68 2.308 17.936 -11.173 1.00 0.00 O ATOM 1041 CB ALA A 68 2.371 17.168 -7.912 1.00 0.00 C ATOM 0 H ALA A 68 0.181 16.035 -8.007 1.00 0.00 H new ATOM 0 HA ALA A 68 1.132 18.502 -9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.276 17.746 -8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.947 17.460 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.616 16.106 -7.893 1.00 0.00 H new ATOM 1047 N VAL A 69 1.922 15.761 -10.674 1.00 0.00 N ATOM 1048 CA VAL A 69 2.392 15.223 -11.961 1.00 0.00 C ATOM 1049 C VAL A 69 1.548 15.774 -13.125 1.00 0.00 C ATOM 1050 O VAL A 69 2.071 16.184 -14.155 1.00 0.00 O ATOM 1051 CB VAL A 69 2.307 13.660 -12.001 1.00 0.00 C ATOM 1052 CG1 VAL A 69 2.883 13.100 -13.300 1.00 0.00 C ATOM 1053 CG2 VAL A 69 2.994 13.034 -10.806 1.00 0.00 C ATOM 0 H VAL A 69 1.589 15.046 -10.027 1.00 0.00 H new ATOM 0 HA VAL A 69 3.432 15.533 -12.066 1.00 0.00 H new ATOM 0 HB VAL A 69 1.249 13.400 -11.958 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.807 12.013 -13.293 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.324 13.497 -14.147 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.930 13.390 -13.389 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.915 11.949 -10.868 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.045 13.321 -10.799 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.517 13.381 -9.889 1.00 0.00 H new ATOM 1063 N ASP A 70 0.254 15.791 -12.935 1.00 0.00 N ATOM 1064 CA ASP A 70 -0.692 16.185 -13.975 1.00 0.00 C ATOM 1065 C ASP A 70 -0.686 17.677 -14.254 1.00 0.00 C ATOM 1066 O ASP A 70 -0.730 18.093 -15.410 1.00 0.00 O ATOM 1067 CB ASP A 70 -2.119 15.746 -13.600 1.00 0.00 C ATOM 1068 CG ASP A 70 -3.147 16.030 -14.690 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -3.301 15.187 -15.598 1.00 0.00 O1- ATOM 1070 OD2 ASP A 70 -3.835 17.073 -14.653 1.00 0.00 O ATOM 0 H ASP A 70 -0.187 15.532 -12.052 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.368 15.681 -14.885 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.117 14.678 -13.382 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.420 16.257 -12.685 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.580 18.480 -13.227 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.808 19.903 -13.419 1.00 0.00 C ATOM 1077 C ASN A 71 0.481 20.709 -13.525 1.00 0.00 C ATOM 1078 O ASN A 71 0.591 21.626 -14.342 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.697 20.464 -12.309 1.00 0.00 C ATOM 1080 CG ASN A 71 -2.311 21.796 -12.691 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -2.579 22.049 -13.850 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -2.526 22.651 -11.739 1.00 0.00 N ATOM 0 H ASN A 71 -0.346 18.194 -12.276 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.319 20.004 -14.376 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.490 19.751 -12.084 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.109 20.584 -11.399 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.930 23.563 -11.954 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.291 22.411 -10.776 1.00 0.00 H new ATOM 1089 N LEU A 72 1.471 20.357 -12.728 1.00 0.00 N ATOM 1090 CA LEU A 72 2.703 21.133 -12.688 1.00 0.00 C ATOM 1091 C LEU A 72 3.649 20.780 -13.819 1.00 0.00 C ATOM 1092 O LEU A 72 4.564 21.541 -14.123 1.00 0.00 O ATOM 1093 CB LEU A 72 3.405 20.985 -11.335 1.00 0.00 C ATOM 1094 CG LEU A 72 2.673 21.573 -10.131 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.403 21.225 -8.852 1.00 0.00 C ATOM 1096 CD2 LEU A 72 2.569 23.078 -10.270 1.00 0.00 C ATOM 0 H LEU A 72 1.452 19.550 -12.105 1.00 0.00 H new ATOM 0 HA LEU A 72 2.417 22.176 -12.821 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.573 19.924 -11.150 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.386 21.456 -11.404 1.00 0.00 H new ATOM 0 HG LEU A 72 1.670 21.148 -10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.870 21.651 -8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.452 20.141 -8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.414 21.632 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.045 23.488 -9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.569 23.508 -10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.018 23.322 -11.178 1.00 0.00 H new ATOM 1108 N ASN A 73 3.436 19.642 -14.443 1.00 0.00 N ATOM 1109 CA ASN A 73 4.316 19.199 -15.517 1.00 0.00 C ATOM 1110 C ASN A 73 4.176 20.114 -16.716 1.00 0.00 C ATOM 1111 O ASN A 73 3.114 20.175 -17.344 1.00 0.00 O ATOM 1112 CB ASN A 73 4.027 17.747 -15.901 1.00 0.00 C ATOM 1113 CG ASN A 73 4.978 17.202 -16.947 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.133 17.616 -17.030 1.00 0.00 O ATOM 1115 ND2 ASN A 73 4.523 16.250 -17.716 1.00 0.00 N ATOM 0 H ASN A 73 2.667 19.006 -14.231 1.00 0.00 H new ATOM 0 HA ASN A 73 5.345 19.247 -15.162 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.085 17.124 -15.008 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.006 17.674 -16.275 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.132 15.824 -18.415 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.559 15.932 -17.618 1.00 0.00 H new ATOM 1122 N GLY A 74 5.221 20.858 -16.990 1.00 0.00 N ATOM 1123 CA GLY A 74 5.203 21.796 -18.087 1.00 0.00 C ATOM 1124 C GLY A 74 5.205 23.236 -17.605 1.00 0.00 C ATOM 1125 O GLY A 74 5.320 24.165 -18.407 1.00 0.00 O ATOM 0 H GLY A 74 6.096 20.832 -16.467 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.071 21.626 -18.724 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.319 21.620 -18.700 1.00 0.00 H new ATOM 1129 N PHE A 75 5.086 23.429 -16.297 1.00 0.00 N ATOM 1130 CA PHE A 75 5.110 24.765 -15.724 1.00 0.00 C ATOM 1131 C PHE A 75 6.534 25.317 -15.853 1.00 0.00 C ATOM 1132 O PHE A 75 7.516 24.604 -15.574 1.00 0.00 O ATOM 1133 CB PHE A 75 4.647 24.730 -14.250 1.00 0.00 C ATOM 1134 CG PHE A 75 4.405 26.085 -13.629 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.199 26.742 -13.826 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.369 26.694 -12.845 1.00 0.00 C ATOM 1137 CE1 PHE A 75 2.963 27.980 -13.257 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.140 27.933 -12.274 1.00 0.00 C ATOM 1139 CZ PHE A 75 3.937 28.577 -12.481 1.00 0.00 C ATOM 0 H PHE A 75 4.972 22.678 -15.616 1.00 0.00 H new ATOM 0 HA PHE A 75 4.421 25.419 -16.259 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.728 24.148 -14.187 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.398 24.205 -13.660 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.434 26.280 -14.432 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.312 26.196 -12.677 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.019 28.479 -13.419 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.903 28.397 -11.666 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.758 29.545 -12.037 1.00 0.00 H new ATOM 1149 N LYS A 76 6.642 26.547 -16.294 1.00 0.00 N ATOM 1150 CA LYS A 76 7.922 27.151 -16.575 1.00 0.00 C ATOM 1151 C LYS A 76 8.400 27.955 -15.373 1.00 0.00 C ATOM 1152 O LYS A 76 7.636 28.743 -14.807 1.00 0.00 O ATOM 1153 CB LYS A 76 7.796 28.099 -17.773 1.00 0.00 C ATOM 1154 CG LYS A 76 9.131 28.624 -18.304 1.00 0.00 C ATOM 1155 CD LYS A 76 9.750 27.696 -19.339 1.00 0.00 C ATOM 1156 CE LYS A 76 8.956 27.723 -20.644 1.00 0.00 C ATOM 1157 NZ LYS A 76 9.552 26.863 -21.682 1.00 0.00 N1+ ATOM 0 H LYS A 76 5.844 27.158 -16.468 1.00 0.00 H new ATOM 0 HA LYS A 76 8.636 26.358 -16.796 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.277 27.580 -18.579 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.174 28.947 -17.487 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.981 29.609 -18.747 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.825 28.751 -17.473 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.781 27.995 -19.530 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.780 26.679 -18.949 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.933 27.399 -20.451 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.902 28.748 -21.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.978 26.915 -22.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.519 27.186 -21.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.580 25.880 -21.344 1.00 0.00 H new ATOM 1171 N ILE A 77 9.634 27.745 -14.993 1.00 0.00 N ATOM 1172 CA ILE A 77 10.280 28.492 -13.938 1.00 0.00 C ATOM 1173 C ILE A 77 11.710 28.765 -14.372 1.00 0.00 C ATOM 1174 O ILE A 77 12.444 27.836 -14.661 1.00 0.00 O ATOM 1175 CB ILE A 77 10.311 27.722 -12.562 1.00 0.00 C ATOM 1176 CG1 ILE A 77 8.884 27.388 -12.085 1.00 0.00 C ATOM 1177 CG2 ILE A 77 11.058 28.544 -11.485 1.00 0.00 C ATOM 1178 CD1 ILE A 77 8.814 26.566 -10.810 1.00 0.00 C ATOM 0 H ILE A 77 10.233 27.036 -15.416 1.00 0.00 H new ATOM 0 HA ILE A 77 9.710 29.407 -13.779 1.00 0.00 H new ATOM 0 HB ILE A 77 10.850 26.787 -12.717 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.341 28.320 -11.930 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.368 26.847 -12.878 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.065 27.991 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.083 28.722 -11.809 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.552 29.499 -11.340 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.771 26.381 -10.553 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.325 25.615 -10.962 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.296 27.111 -9.999 1.00 0.00 H new ATOM 1190 N GLY A 78 12.057 30.026 -14.532 1.00 0.00 N ATOM 1191 CA GLY A 78 13.444 30.402 -14.793 1.00 0.00 C ATOM 1192 C GLY A 78 13.973 29.922 -16.126 1.00 0.00 C ATOM 1193 O GLY A 78 15.146 29.537 -16.238 1.00 0.00 O ATOM 0 H GLY A 78 11.406 30.810 -14.487 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.529 31.488 -14.750 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.074 30.001 -13.999 1.00 0.00 H new ATOM 1197 N GLY A 79 13.123 29.912 -17.125 1.00 0.00 N ATOM 1198 CA GLY A 79 13.538 29.520 -18.453 1.00 0.00 C ATOM 1199 C GLY A 79 13.521 28.015 -18.677 1.00 0.00 C ATOM 1200 O GLY A 79 13.864 27.546 -19.769 1.00 0.00 O ATOM 0 H GLY A 79 12.140 30.171 -17.045 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.884 29.995 -19.184 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.545 29.895 -18.635 1.00 0.00 H new ATOM 1204 N ARG A 80 13.146 27.266 -17.667 1.00 0.00 N ATOM 1205 CA ARG A 80 13.061 25.822 -17.763 1.00 0.00 C ATOM 1206 C ARG A 80 11.679 25.377 -17.375 1.00 0.00 C ATOM 1207 O ARG A 80 11.037 26.010 -16.553 1.00 0.00 O ATOM 1208 CB ARG A 80 14.068 25.145 -16.829 1.00 0.00 C ATOM 1209 CG ARG A 80 15.522 25.298 -17.217 1.00 0.00 C ATOM 1210 CD ARG A 80 16.414 24.653 -16.181 1.00 0.00 C ATOM 1211 NE ARG A 80 17.801 24.491 -16.632 1.00 0.00 N ATOM 1212 CZ ARG A 80 18.853 25.179 -16.173 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.676 26.294 -15.485 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 20.072 24.788 -16.462 1.00 0.00 N ATOM 0 H ARG A 80 12.890 27.638 -16.753 1.00 0.00 H new ATOM 0 HA ARG A 80 13.285 25.538 -18.791 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.934 25.548 -15.825 1.00 0.00 H new ATOM 0 HB3 ARG A 80 13.833 24.082 -16.780 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.695 24.840 -18.191 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.770 26.355 -17.313 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.402 25.257 -15.274 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.008 23.676 -15.919 1.00 0.00 H new ATOM 0 HE ARG A 80 17.978 23.795 -17.357 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.733 26.635 -15.301 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.483 26.813 -15.138 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.219 23.959 -17.037 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.873 25.314 -16.111 1.00 0.00 H new ATOM 1228 N ALA A 81 11.197 24.337 -17.989 1.00 0.00 N ATOM 1229 CA ALA A 81 9.945 23.770 -17.580 1.00 0.00 C ATOM 1230 C ALA A 81 10.234 22.494 -16.857 1.00 0.00 C ATOM 1231 O ALA A 81 10.912 21.603 -17.397 1.00 0.00 O ATOM 1232 CB ALA A 81 9.018 23.525 -18.751 1.00 0.00 C ATOM 0 H ALA A 81 11.649 23.865 -18.772 1.00 0.00 H new ATOM 0 HA ALA A 81 9.430 24.474 -16.927 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.083 23.095 -18.391 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.813 24.469 -19.256 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.490 22.834 -19.450 1.00 0.00 H new ATOM 1238 N LEU A 82 9.776 22.404 -15.654 1.00 0.00 N ATOM 1239 CA LEU A 82 10.031 21.247 -14.860 1.00 0.00 C ATOM 1240 C LEU A 82 9.158 20.067 -15.255 1.00 0.00 C ATOM 1241 O LEU A 82 8.023 20.228 -15.759 1.00 0.00 O ATOM 1242 CB LEU A 82 10.028 21.564 -13.345 1.00 0.00 C ATOM 1243 CG LEU A 82 8.899 22.462 -12.795 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.545 21.798 -12.893 1.00 0.00 C ATOM 1245 CD2 LEU A 82 9.191 22.856 -11.361 1.00 0.00 C ATOM 0 H LEU A 82 9.218 23.124 -15.195 1.00 0.00 H new ATOM 0 HA LEU A 82 11.049 20.924 -15.079 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.994 20.617 -12.806 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.979 22.036 -13.101 1.00 0.00 H new ATOM 0 HG LEU A 82 8.866 23.359 -13.414 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.782 22.467 -12.494 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.323 21.576 -13.937 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.552 20.872 -12.319 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.386 23.489 -10.987 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.264 21.960 -10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.133 23.403 -11.319 1.00 0.00 H new ATOM 1257 N LYS A 83 9.713 18.910 -15.099 1.00 0.00 N ATOM 1258 CA LYS A 83 9.074 17.674 -15.441 1.00 0.00 C ATOM 1259 C LYS A 83 8.775 16.902 -14.189 1.00 0.00 C ATOM 1260 O LYS A 83 9.660 16.707 -13.371 1.00 0.00 O ATOM 1261 CB LYS A 83 10.019 16.845 -16.339 1.00 0.00 C ATOM 1262 CG LYS A 83 9.602 15.384 -16.547 1.00 0.00 C ATOM 1263 CD LYS A 83 8.308 15.249 -17.315 1.00 0.00 C ATOM 1264 CE LYS A 83 7.809 13.812 -17.312 1.00 0.00 C ATOM 1265 NZ LYS A 83 8.753 12.865 -17.948 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.652 18.791 -14.719 1.00 0.00 H new ATOM 0 HA LYS A 83 8.145 17.878 -15.973 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.087 17.329 -17.313 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.018 16.863 -15.903 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.393 14.858 -17.081 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.496 14.899 -15.576 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.552 15.899 -16.875 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.456 15.582 -18.342 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.628 13.499 -16.284 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.852 13.765 -17.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.397 11.894 -17.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.842 13.090 -18.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.684 12.945 -17.492 1.00 0.00 H new ATOM 1279 N ILE A 84 7.549 16.488 -14.028 1.00 0.00 N ATOM 1280 CA ILE A 84 7.216 15.620 -12.936 1.00 0.00 C ATOM 1281 C ILE A 84 6.797 14.301 -13.544 1.00 0.00 C ATOM 1282 O ILE A 84 6.061 14.280 -14.534 1.00 0.00 O ATOM 1283 CB ILE A 84 6.069 16.121 -11.991 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.304 17.528 -11.447 1.00 0.00 C ATOM 1285 CG2 ILE A 84 5.908 15.178 -10.819 1.00 0.00 C ATOM 1286 CD1 ILE A 84 5.877 18.614 -12.379 1.00 0.00 C ATOM 0 H ILE A 84 6.768 16.736 -14.636 1.00 0.00 H new ATOM 0 HA ILE A 84 8.098 15.561 -12.298 1.00 0.00 H new ATOM 0 HB ILE A 84 5.167 16.146 -12.603 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.766 17.638 -10.505 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.364 17.649 -11.224 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.109 15.537 -10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.659 14.182 -11.185 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.840 15.135 -10.256 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.075 19.584 -11.923 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.433 18.532 -13.313 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.810 18.520 -12.582 1.00 0.00 H new ATOM 1298 N ASP A 85 7.299 13.239 -13.010 1.00 0.00 N ATOM 1299 CA ASP A 85 6.982 11.910 -13.464 1.00 0.00 C ATOM 1300 C ASP A 85 6.926 11.060 -12.213 1.00 0.00 C ATOM 1301 O ASP A 85 7.041 11.601 -11.119 1.00 0.00 O ATOM 1302 CB ASP A 85 8.098 11.394 -14.385 1.00 0.00 C ATOM 1303 CG ASP A 85 7.603 10.427 -15.433 1.00 0.00 C ATOM 1304 OD1 ASP A 85 6.912 9.471 -15.093 1.00 0.00 O1- ATOM 1305 OD2 ASP A 85 7.895 10.650 -16.645 1.00 0.00 O ATOM 0 H ASP A 85 7.955 13.262 -12.229 1.00 0.00 H new ATOM 0 HA ASP A 85 6.046 11.884 -14.022 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.575 12.241 -14.878 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.862 10.905 -13.781 1.00 0.00 H new ATOM 1310 N HIS A 86 6.789 9.785 -12.338 1.00 0.00 N ATOM 1311 CA HIS A 86 6.780 8.916 -11.164 1.00 0.00 C ATOM 1312 C HIS A 86 8.088 8.154 -11.076 1.00 0.00 C ATOM 1313 O HIS A 86 8.722 7.919 -12.076 1.00 0.00 O ATOM 1314 CB HIS A 86 5.592 7.943 -11.174 1.00 0.00 C ATOM 1315 CG HIS A 86 4.253 8.573 -10.893 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.648 8.557 -9.653 1.00 0.00 N ATOM 1317 CD2 HIS A 86 3.389 9.206 -11.717 1.00 0.00 C ATOM 1318 CE1 HIS A 86 2.465 9.160 -9.754 1.00 0.00 C ATOM 1319 NE2 HIS A 86 2.250 9.577 -10.993 1.00 0.00 N ATOM 0 H HIS A 86 6.680 9.302 -13.230 1.00 0.00 H new ATOM 0 HA HIS A 86 6.669 9.549 -10.284 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.550 7.454 -12.147 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.773 7.164 -10.433 1.00 0.00 H new ATOM 0 HD1 HIS A 86 4.040 8.152 -8.803 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.552 9.396 -12.768 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.773 9.292 -8.935 1.00 0.00 H new ATOM 1327 N THR A 87 8.541 7.852 -9.895 1.00 0.00 N ATOM 1328 CA THR A 87 9.742 7.078 -9.750 1.00 0.00 C ATOM 1329 C THR A 87 9.683 6.299 -8.432 1.00 0.00 C ATOM 1330 O THR A 87 8.889 6.624 -7.545 1.00 0.00 O ATOM 1331 CB THR A 87 11.017 7.984 -9.842 1.00 0.00 C ATOM 1332 OG1 THR A 87 12.214 7.186 -9.955 1.00 0.00 O ATOM 1333 CG2 THR A 87 11.133 8.911 -8.637 1.00 0.00 C ATOM 0 H THR A 87 8.099 8.129 -9.018 1.00 0.00 H new ATOM 0 HA THR A 87 9.814 6.365 -10.571 1.00 0.00 H new ATOM 0 HB THR A 87 10.910 8.593 -10.739 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.995 7.775 -10.013 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.029 9.524 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.255 9.556 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.198 8.317 -7.726 1.00 0.00 H new ATOM 1341 N PHE A 88 10.462 5.277 -8.296 1.00 0.00 N ATOM 1342 CA PHE A 88 10.455 4.560 -7.067 1.00 0.00 C ATOM 1343 C PHE A 88 11.840 4.603 -6.510 1.00 0.00 C ATOM 1344 O PHE A 88 12.730 3.868 -6.942 1.00 0.00 O ATOM 1345 CB PHE A 88 9.959 3.127 -7.235 1.00 0.00 C ATOM 1346 CG PHE A 88 9.573 2.471 -5.931 1.00 0.00 C ATOM 1347 CD1 PHE A 88 8.298 2.649 -5.410 1.00 0.00 C ATOM 1348 CD2 PHE A 88 10.469 1.679 -5.230 1.00 0.00 C ATOM 1349 CE1 PHE A 88 7.930 2.052 -4.225 1.00 0.00 C ATOM 1350 CE2 PHE A 88 10.106 1.081 -4.044 1.00 0.00 C ATOM 1351 CZ PHE A 88 8.837 1.266 -3.541 1.00 0.00 C ATOM 0 H PHE A 88 11.101 4.925 -9.009 1.00 0.00 H new ATOM 0 HA PHE A 88 9.755 5.028 -6.375 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.098 3.124 -7.904 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.738 2.534 -7.715 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.586 3.263 -5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.465 1.529 -5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.935 2.198 -3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.816 0.468 -3.509 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.551 0.796 -2.611 1.00 0.00 H new ATOM 1361 N TYR A 89 12.027 5.489 -5.589 1.00 0.00 N ATOM 1362 CA TYR A 89 13.302 5.727 -4.998 1.00 0.00 C ATOM 1363 C TYR A 89 13.202 5.584 -3.499 1.00 0.00 C ATOM 1364 O TYR A 89 12.239 6.047 -2.887 1.00 0.00 O ATOM 1365 CB TYR A 89 13.796 7.134 -5.406 1.00 0.00 C ATOM 1366 CG TYR A 89 15.047 7.623 -4.693 1.00 0.00 C ATOM 1367 CD1 TYR A 89 16.303 7.132 -5.025 1.00 0.00 C ATOM 1368 CD2 TYR A 89 14.965 8.584 -3.687 1.00 0.00 C ATOM 1369 CE1 TYR A 89 17.439 7.583 -4.377 1.00 0.00 C ATOM 1370 CE2 TYR A 89 16.097 9.036 -3.038 1.00 0.00 C ATOM 1371 CZ TYR A 89 17.331 8.531 -3.386 1.00 0.00 C ATOM 1372 OH TYR A 89 18.469 8.986 -2.739 1.00 0.00 O ATOM 0 H TYR A 89 11.283 6.080 -5.219 1.00 0.00 H new ATOM 0 HA TYR A 89 14.027 4.994 -5.354 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.987 7.135 -6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.993 7.848 -5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 89 16.394 6.387 -5.801 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.000 8.982 -3.410 1.00 0.00 H new ATOM 0 HE1 TYR A 89 18.408 7.192 -4.648 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.016 9.782 -2.261 1.00 0.00 H new ATOM 0 HH TYR A 89 18.225 9.343 -1.860 1.00 0.00 H new ATOM 1382 N ARG A 90 14.162 4.914 -2.927 1.00 0.00 N ATOM 1383 CA ARG A 90 14.230 4.738 -1.506 1.00 0.00 C ATOM 1384 C ARG A 90 15.159 5.764 -0.905 1.00 0.00 C ATOM 1385 O ARG A 90 16.268 5.958 -1.411 1.00 0.00 O ATOM 1386 CB ARG A 90 14.712 3.331 -1.141 1.00 0.00 C ATOM 1387 CG ARG A 90 13.683 2.225 -1.327 1.00 0.00 C ATOM 1388 CD ARG A 90 12.464 2.456 -0.434 1.00 0.00 C ATOM 1389 NE ARG A 90 12.848 2.694 0.976 1.00 0.00 N ATOM 1390 CZ ARG A 90 12.037 3.162 1.935 1.00 0.00 C ATOM 1391 NH1 ARG A 90 10.741 3.335 1.696 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 12.528 3.427 3.137 1.00 0.00 N ATOM 0 H ARG A 90 14.925 4.471 -3.439 1.00 0.00 H new ATOM 0 HA ARG A 90 13.226 4.870 -1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.588 3.096 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 90 15.035 3.334 -0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.371 2.185 -2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.133 1.261 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.899 3.311 -0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.805 1.590 -0.489 1.00 0.00 H new ATOM 0 HE ARG A 90 13.811 2.484 1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.357 3.111 0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.130 3.692 2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.518 3.275 3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.916 3.783 3.871 1.00 0.00 H new ATOM 1406 N PRO A 91 14.722 6.463 0.141 1.00 0.00 N ATOM 1407 CA PRO A 91 15.564 7.416 0.845 1.00 0.00 C ATOM 1408 C PRO A 91 16.763 6.707 1.460 1.00 0.00 C ATOM 1409 O PRO A 91 16.599 5.689 2.149 1.00 0.00 O ATOM 1410 CB PRO A 91 14.646 7.972 1.948 1.00 0.00 C ATOM 1411 CG PRO A 91 13.545 6.983 2.077 1.00 0.00 C ATOM 1412 CD PRO A 91 13.365 6.397 0.718 1.00 0.00 C ATOM 0 HA PRO A 91 15.962 8.194 0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.185 8.085 2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.261 8.956 1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.795 6.212 2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.628 7.461 2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 91 12.997 5.372 0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.647 6.965 0.126 1.00 0.00 H new ATOM 1420 N LYS A 92 17.954 7.210 1.183 1.00 0.00 N ATOM 1421 CA LYS A 92 19.165 6.597 1.695 1.00 0.00 C ATOM 1422 C LYS A 92 19.187 6.711 3.209 1.00 0.00 C ATOM 1423 O LYS A 92 18.906 7.782 3.755 1.00 0.00 O ATOM 1424 CB LYS A 92 20.384 7.341 1.149 1.00 0.00 C ATOM 1425 CG LYS A 92 20.522 7.342 -0.363 1.00 0.00 C ATOM 1426 CD LYS A 92 21.618 8.309 -0.821 1.00 0.00 C ATOM 1427 CE LYS A 92 22.990 7.969 -0.237 1.00 0.00 C ATOM 1428 NZ LYS A 92 24.030 8.937 -0.651 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.107 8.039 0.608 1.00 0.00 H new ATOM 0 HA LYS A 92 19.189 5.551 1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.343 8.374 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.282 6.897 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 92 20.754 6.335 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 92 19.572 7.624 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.678 8.294 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.346 9.324 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.925 7.951 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.281 6.968 -0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.943 8.667 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.112 8.937 -1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.768 9.889 -0.325 1.00 0.00 H new ATOM 1442 N ARG A 93 19.576 5.648 3.878 1.00 0.00 N ATOM 1443 CA ARG A 93 19.671 5.673 5.323 1.00 0.00 C ATOM 1444 C ARG A 93 20.969 6.324 5.757 1.00 0.00 C ATOM 1445 O ARG A 93 21.119 6.743 6.873 1.00 0.00 O ATOM 1446 CB ARG A 93 19.428 4.267 5.965 1.00 0.00 C ATOM 1447 CG ARG A 93 20.445 3.152 5.652 1.00 0.00 C ATOM 1448 CD ARG A 93 21.759 3.337 6.398 1.00 0.00 C ATOM 1449 NE ARG A 93 21.569 3.349 7.851 1.00 0.00 N ATOM 1450 CZ ARG A 93 22.290 4.074 8.721 1.00 0.00 C ATOM 1451 NH1 ARG A 93 23.274 4.868 8.293 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 22.036 3.994 10.016 1.00 0.00 N ATOM 0 H ARG A 93 19.831 4.759 3.448 1.00 0.00 H new ATOM 0 HA ARG A 93 18.861 6.293 5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 93 19.392 4.394 7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 93 18.443 3.921 5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 93 20.014 2.186 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 93 20.639 3.132 4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 93 22.445 2.534 6.129 1.00 0.00 H new ATOM 0 HD3 ARG A 93 22.225 4.272 6.086 1.00 0.00 H new ATOM 0 HE ARG A 93 20.829 2.759 8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 93 23.484 4.928 7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.816 5.415 8.962 1.00 0.00 H new ATOM 0 HH21 ARG A 93 21.293 3.382 10.353 1.00 0.00 H new ATOM 0 HH22 ARG A 93 22.583 4.544 10.678 1.00 0.00 H new ATOM 1466 N SER A 94 21.896 6.395 4.845 1.00 0.00 N ATOM 1467 CA SER A 94 23.163 7.018 5.076 1.00 0.00 C ATOM 1468 C SER A 94 23.025 8.532 5.022 1.00 0.00 C ATOM 1469 O SER A 94 23.698 9.266 5.738 1.00 0.00 O ATOM 1470 CB SER A 94 24.102 6.490 4.018 1.00 0.00 C ATOM 1471 OG SER A 94 23.371 6.293 2.794 1.00 0.00 O ATOM 0 H SER A 94 21.788 6.014 3.905 1.00 0.00 H new ATOM 0 HA SER A 94 23.554 6.786 6.067 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.921 7.192 3.858 1.00 0.00 H new ATOM 0 HB3 SER A 94 24.547 5.550 4.345 1.00 0.00 H new ATOM 0 HG SER A 94 23.132 5.347 2.704 1.00 0.00 H new ATOM 1477 N LEU A 95 22.078 8.972 4.244 1.00 0.00 N ATOM 1478 CA LEU A 95 21.840 10.369 4.037 1.00 0.00 C ATOM 1479 C LEU A 95 20.554 10.754 4.781 1.00 0.00 C ATOM 1480 O LEU A 95 19.976 11.823 4.556 1.00 0.00 O ATOM 1481 CB LEU A 95 21.674 10.593 2.534 1.00 0.00 C ATOM 1482 CG LEU A 95 21.765 12.023 2.036 1.00 0.00 C ATOM 1483 CD1 LEU A 95 23.167 12.537 2.248 1.00 0.00 C ATOM 1484 CD2 LEU A 95 21.379 12.100 0.569 1.00 0.00 C ATOM 0 H LEU A 95 21.442 8.362 3.730 1.00 0.00 H new ATOM 0 HA LEU A 95 22.663 10.979 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 95 22.434 10.006 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.705 10.192 2.237 1.00 0.00 H new ATOM 0 HG LEU A 95 21.069 12.646 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 95 23.236 13.565 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 95 23.410 12.505 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 95 23.870 11.913 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 95 21.450 13.133 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 95 22.054 11.477 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 95 20.356 11.746 0.443 1.00 0.00 H new ATOM 1496 N GLN A 96 20.160 9.885 5.725 1.00 0.00 N ATOM 1497 CA GLN A 96 18.889 9.986 6.466 1.00 0.00 C ATOM 1498 C GLN A 96 18.667 11.341 7.116 1.00 0.00 C ATOM 1499 O GLN A 96 17.534 11.816 7.176 1.00 0.00 O ATOM 1500 CB GLN A 96 18.767 8.893 7.530 1.00 0.00 C ATOM 1501 CG GLN A 96 19.854 8.922 8.600 1.00 0.00 C ATOM 1502 CD GLN A 96 19.622 7.929 9.720 1.00 0.00 C ATOM 1503 OE1 GLN A 96 18.384 7.708 10.070 1.00 0.00 O flip ATOM 1504 NE2 GLN A 96 20.570 7.408 10.304 1.00 0.00 N flip ATOM 0 H GLN A 96 20.722 9.080 6.000 1.00 0.00 H new ATOM 0 HA GLN A 96 18.115 9.853 5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.795 8.984 8.016 1.00 0.00 H new ATOM 0 HB3 GLN A 96 18.787 7.921 7.037 1.00 0.00 H new ATOM 0 HG2 GLN A 96 20.817 8.715 8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.913 9.926 9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 96 21.525 7.604 10.003 1.00 0.00 H new ATOM 0 HE22 GLN A 96 20.402 6.780 11.090 1.00 0.00 H new ATOM 1513 N LYS A 97 19.750 11.968 7.573 1.00 0.00 N ATOM 1514 CA LYS A 97 19.665 13.255 8.242 1.00 0.00 C ATOM 1515 C LYS A 97 19.104 14.326 7.337 1.00 0.00 C ATOM 1516 O LYS A 97 18.410 15.199 7.792 1.00 0.00 O ATOM 1517 CB LYS A 97 21.011 13.693 8.810 1.00 0.00 C ATOM 1518 CG LYS A 97 21.546 12.833 9.953 1.00 0.00 C ATOM 1519 CD LYS A 97 20.587 12.786 11.151 1.00 0.00 C ATOM 1520 CE LYS A 97 20.286 14.181 11.703 1.00 0.00 C ATOM 1521 NZ LYS A 97 19.352 14.159 12.856 1.00 0.00 N1+ ATOM 0 H LYS A 97 20.698 11.600 7.489 1.00 0.00 H new ATOM 0 HA LYS A 97 18.975 13.121 9.075 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.744 13.694 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.922 14.721 9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.720 11.820 9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.510 13.225 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.655 12.307 10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 97 21.022 12.171 11.939 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.219 14.654 12.008 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.861 14.796 10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.948 15.107 12.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.586 13.481 12.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.866 13.874 13.714 1.00 0.00 H new ATOM 1535 N TYR A 98 19.392 14.236 6.051 1.00 0.00 N ATOM 1536 CA TYR A 98 18.874 15.191 5.101 1.00 0.00 C ATOM 1537 C TYR A 98 17.359 15.014 4.976 1.00 0.00 C ATOM 1538 O TYR A 98 16.619 15.975 5.048 1.00 0.00 O ATOM 1539 CB TYR A 98 19.597 15.047 3.735 1.00 0.00 C ATOM 1540 CG TYR A 98 19.085 15.963 2.628 1.00 0.00 C ATOM 1541 CD1 TYR A 98 19.002 17.336 2.812 1.00 0.00 C ATOM 1542 CD2 TYR A 98 18.690 15.447 1.402 1.00 0.00 C ATOM 1543 CE1 TYR A 98 18.528 18.168 1.813 1.00 0.00 C ATOM 1544 CE2 TYR A 98 18.222 16.275 0.395 1.00 0.00 C ATOM 1545 CZ TYR A 98 18.136 17.633 0.609 1.00 0.00 C ATOM 1546 OH TYR A 98 17.657 18.457 -0.387 1.00 0.00 O ATOM 0 H TYR A 98 19.982 13.510 5.645 1.00 0.00 H new ATOM 0 HA TYR A 98 19.066 16.204 5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.659 15.241 3.882 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.505 14.014 3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 98 19.314 17.764 3.754 1.00 0.00 H new ATOM 0 HD2 TYR A 98 18.748 14.382 1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 98 18.466 19.233 1.979 1.00 0.00 H new ATOM 0 HE2 TYR A 98 17.925 15.857 -0.556 1.00 0.00 H new ATOM 0 HH TYR A 98 17.784 19.393 -0.127 1.00 0.00 H new ATOM 1556 N TYR A 99 16.928 13.768 4.899 1.00 0.00 N ATOM 1557 CA TYR A 99 15.512 13.433 4.733 1.00 0.00 C ATOM 1558 C TYR A 99 14.694 13.834 5.950 1.00 0.00 C ATOM 1559 O TYR A 99 13.640 14.480 5.817 1.00 0.00 O ATOM 1560 CB TYR A 99 15.329 11.939 4.460 1.00 0.00 C ATOM 1561 CG TYR A 99 15.956 11.471 3.169 1.00 0.00 C ATOM 1562 CD1 TYR A 99 15.258 11.535 1.975 1.00 0.00 C ATOM 1563 CD2 TYR A 99 17.240 10.968 3.143 1.00 0.00 C ATOM 1564 CE1 TYR A 99 15.830 11.108 0.793 1.00 0.00 C ATOM 1565 CE2 TYR A 99 17.816 10.542 1.972 1.00 0.00 C ATOM 1566 CZ TYR A 99 17.111 10.614 0.801 1.00 0.00 C ATOM 1567 OH TYR A 99 17.691 10.181 -0.369 1.00 0.00 O ATOM 0 H TYR A 99 17.543 12.956 4.949 1.00 0.00 H new ATOM 0 HA TYR A 99 15.151 13.998 3.874 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.759 11.373 5.287 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.263 11.712 4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 99 14.251 11.925 1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 99 17.804 10.908 4.062 1.00 0.00 H new ATOM 0 HE1 TYR A 99 15.274 11.162 -0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 99 18.823 10.151 1.975 1.00 0.00 H new ATOM 0 HH TYR A 99 18.667 10.222 -0.285 1.00 0.00 H new ATOM 1577 N GLU A 100 15.172 13.457 7.132 1.00 0.00 N ATOM 1578 CA GLU A 100 14.465 13.789 8.350 1.00 0.00 C ATOM 1579 C GLU A 100 14.426 15.291 8.570 1.00 0.00 C ATOM 1580 O GLU A 100 13.370 15.834 8.838 1.00 0.00 O ATOM 1581 CB GLU A 100 14.996 13.030 9.588 1.00 0.00 C ATOM 1582 CG GLU A 100 16.487 13.137 9.826 1.00 0.00 C ATOM 1583 CD GLU A 100 16.927 12.496 11.116 1.00 0.00 C ATOM 1584 OE1 GLU A 100 17.239 11.297 11.113 1.00 0.00 O1- ATOM 1585 OE2 GLU A 100 17.000 13.192 12.144 1.00 0.00 O ATOM 0 H GLU A 100 16.034 12.929 7.265 1.00 0.00 H new ATOM 0 HA GLU A 100 13.439 13.447 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.477 13.402 10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.736 11.976 9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 100 17.016 12.669 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.773 14.189 9.834 1.00 0.00 H new ATOM 1592 N ALA A 101 15.561 15.964 8.361 1.00 0.00 N ATOM 1593 CA ALA A 101 15.647 17.417 8.547 1.00 0.00 C ATOM 1594 C ALA A 101 14.680 18.151 7.625 1.00 0.00 C ATOM 1595 O ALA A 101 14.191 19.232 7.962 1.00 0.00 O ATOM 1596 CB ALA A 101 17.067 17.910 8.335 1.00 0.00 C ATOM 0 H ALA A 101 16.433 15.527 8.063 1.00 0.00 H new ATOM 0 HA ALA A 101 15.361 17.634 9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.103 18.990 8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.731 17.426 9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.389 17.668 7.322 1.00 0.00 H new ATOM 1602 N VAL A 102 14.414 17.560 6.464 1.00 0.00 N ATOM 1603 CA VAL A 102 13.440 18.099 5.548 1.00 0.00 C ATOM 1604 C VAL A 102 12.025 17.975 6.129 1.00 0.00 C ATOM 1605 O VAL A 102 11.352 18.983 6.392 1.00 0.00 O ATOM 1606 CB VAL A 102 13.489 17.407 4.143 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.311 17.836 3.290 1.00 0.00 C ATOM 1608 CG2 VAL A 102 14.770 17.755 3.415 1.00 0.00 C ATOM 0 H VAL A 102 14.867 16.704 6.143 1.00 0.00 H new ATOM 0 HA VAL A 102 13.692 19.150 5.410 1.00 0.00 H new ATOM 0 HB VAL A 102 13.446 16.330 4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.366 17.343 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.382 17.557 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.337 18.917 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.781 17.263 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.828 18.835 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.625 17.418 4.002 1.00 0.00 H new ATOM 1618 N LYS A 103 11.594 16.746 6.385 1.00 0.00 N ATOM 1619 CA LYS A 103 10.222 16.521 6.804 1.00 0.00 C ATOM 1620 C LYS A 103 9.930 17.012 8.188 1.00 0.00 C ATOM 1621 O LYS A 103 8.781 17.189 8.526 1.00 0.00 O ATOM 1622 CB LYS A 103 9.749 15.100 6.614 1.00 0.00 C ATOM 1623 CG LYS A 103 10.381 14.066 7.509 1.00 0.00 C ATOM 1624 CD LYS A 103 9.837 12.675 7.184 1.00 0.00 C ATOM 1625 CE LYS A 103 10.012 12.313 5.698 1.00 0.00 C ATOM 1626 NZ LYS A 103 9.428 11.005 5.356 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.166 15.905 6.311 1.00 0.00 H new ATOM 0 HA LYS A 103 9.637 17.136 6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.670 15.074 6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 103 9.930 14.814 5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.463 14.079 7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.180 14.307 8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.348 11.934 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.780 12.631 7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.548 13.085 5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.074 12.307 5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.190 10.323 5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.848 10.666 6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.833 11.101 4.509 1.00 0.00 H new ATOM 1640 N GLU A 104 10.948 17.218 8.996 1.00 0.00 N ATOM 1641 CA GLU A 104 10.740 17.783 10.312 1.00 0.00 C ATOM 1642 C GLU A 104 10.070 19.152 10.227 1.00 0.00 C ATOM 1643 O GLU A 104 9.256 19.490 11.063 1.00 0.00 O ATOM 1644 CB GLU A 104 12.030 17.862 11.120 1.00 0.00 C ATOM 1645 CG GLU A 104 12.513 16.521 11.641 1.00 0.00 C ATOM 1646 CD GLU A 104 11.502 15.874 12.546 1.00 0.00 C ATOM 1647 OE1 GLU A 104 11.289 16.377 13.666 1.00 0.00 O1- ATOM 1648 OE2 GLU A 104 10.880 14.866 12.150 1.00 0.00 O ATOM 0 H GLU A 104 11.919 17.005 8.768 1.00 0.00 H new ATOM 0 HA GLU A 104 10.070 17.105 10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.810 18.301 10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.878 18.535 11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.724 15.860 10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.449 16.658 12.182 1.00 0.00 H new ATOM 1655 N GLU A 105 10.378 19.901 9.177 1.00 0.00 N ATOM 1656 CA GLU A 105 9.788 21.217 8.975 1.00 0.00 C ATOM 1657 C GLU A 105 8.431 21.079 8.293 1.00 0.00 C ATOM 1658 O GLU A 105 7.508 21.863 8.527 1.00 0.00 O ATOM 1659 CB GLU A 105 10.691 22.070 8.093 1.00 0.00 C ATOM 1660 CG GLU A 105 12.105 22.225 8.604 1.00 0.00 C ATOM 1661 CD GLU A 105 12.177 22.882 9.967 1.00 0.00 C ATOM 1662 OE1 GLU A 105 12.030 24.115 10.049 1.00 0.00 O ATOM 1663 OE2 GLU A 105 12.431 22.182 10.969 1.00 0.00 O1- ATOM 0 H GLU A 105 11.035 19.618 8.450 1.00 0.00 H new ATOM 0 HA GLU A 105 9.670 21.693 9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.725 21.629 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.246 23.059 7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.576 21.243 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.679 22.817 7.891 1.00 0.00 H new ATOM 1670 N LEU A 106 8.309 20.066 7.470 1.00 0.00 N ATOM 1671 CA LEU A 106 7.107 19.852 6.673 1.00 0.00 C ATOM 1672 C LEU A 106 5.982 19.314 7.536 1.00 0.00 C ATOM 1673 O LEU A 106 4.866 19.846 7.541 1.00 0.00 O ATOM 1674 CB LEU A 106 7.392 18.862 5.544 1.00 0.00 C ATOM 1675 CG LEU A 106 8.613 19.156 4.671 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.718 18.162 3.541 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.605 20.589 4.154 1.00 0.00 C ATOM 0 H LEU A 106 9.034 19.363 7.328 1.00 0.00 H new ATOM 0 HA LEU A 106 6.806 20.811 6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.516 17.872 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.514 18.818 4.899 1.00 0.00 H new ATOM 0 HG LEU A 106 9.499 19.048 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.594 18.392 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.813 17.156 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.823 18.219 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.488 20.759 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.709 20.755 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.612 21.280 4.997 1.00 0.00 H new ATOM 1689 N ASP A 107 6.319 18.303 8.320 1.00 0.00 N ATOM 1690 CA ASP A 107 5.386 17.581 9.194 1.00 0.00 C ATOM 1691 C ASP A 107 4.655 18.508 10.166 1.00 0.00 C ATOM 1692 O ASP A 107 3.532 18.233 10.551 1.00 0.00 O ATOM 1693 CB ASP A 107 6.134 16.453 9.940 1.00 0.00 C ATOM 1694 CG ASP A 107 5.300 15.749 10.984 1.00 0.00 C ATOM 1695 OD1 ASP A 107 4.457 14.899 10.621 1.00 0.00 O ATOM 1696 OD2 ASP A 107 5.503 16.016 12.184 1.00 0.00 O1- ATOM 0 H ASP A 107 7.273 17.946 8.373 1.00 0.00 H new ATOM 0 HA ASP A 107 4.614 17.138 8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.483 15.719 9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.019 16.873 10.419 1.00 0.00 H new ATOM 1701 N ARG A 108 5.265 19.655 10.459 1.00 0.00 N ATOM 1702 CA ARG A 108 4.716 20.648 11.402 1.00 0.00 C ATOM 1703 C ARG A 108 3.327 21.144 10.958 1.00 0.00 C ATOM 1704 O ARG A 108 2.477 21.450 11.787 1.00 0.00 O ATOM 1705 CB ARG A 108 5.650 21.867 11.503 1.00 0.00 C ATOM 1706 CG ARG A 108 7.108 21.532 11.762 1.00 0.00 C ATOM 1707 CD ARG A 108 7.353 20.878 13.114 1.00 0.00 C ATOM 1708 NE ARG A 108 7.241 21.828 14.217 1.00 0.00 N ATOM 1709 CZ ARG A 108 8.192 22.033 15.141 1.00 0.00 C ATOM 1710 NH1 ARG A 108 9.310 21.296 15.147 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 8.023 22.967 16.067 1.00 0.00 N ATOM 0 H ARG A 108 6.158 19.930 10.051 1.00 0.00 H new ATOM 0 HA ARG A 108 4.629 20.153 12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.582 22.437 10.576 1.00 0.00 H new ATOM 0 HB3 ARG A 108 5.293 22.515 12.303 1.00 0.00 H new ATOM 0 HG2 ARG A 108 7.464 20.866 10.976 1.00 0.00 H new ATOM 0 HG3 ARG A 108 7.699 22.446 11.698 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.636 20.070 13.259 1.00 0.00 H new ATOM 0 HD3 ARG A 108 8.346 20.429 13.123 1.00 0.00 H new ATOM 0 HE ARG A 108 6.382 22.373 14.290 1.00 0.00 H new ATOM 0 HH11 ARG A 108 9.446 20.569 14.444 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.026 21.461 15.855 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.171 23.528 16.076 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.745 23.124 16.770 1.00 0.00 H new ATOM 1725 N ASP A 109 3.099 21.203 9.656 1.00 0.00 N ATOM 1726 CA ASP A 109 1.824 21.728 9.136 1.00 0.00 C ATOM 1727 C ASP A 109 0.915 20.573 8.702 1.00 0.00 C ATOM 1728 O ASP A 109 -0.255 20.754 8.369 1.00 0.00 O ATOM 1729 CB ASP A 109 2.092 22.703 7.966 1.00 0.00 C ATOM 1730 CG ASP A 109 0.867 23.517 7.539 1.00 0.00 C ATOM 1731 OD1 ASP A 109 0.292 24.225 8.380 1.00 0.00 O ATOM 1732 OD2 ASP A 109 0.513 23.535 6.339 1.00 0.00 O1- ATOM 0 H ASP A 109 3.761 20.902 8.941 1.00 0.00 H new ATOM 0 HA ASP A 109 1.312 22.279 9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.889 23.389 8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.454 22.135 7.109 1.00 0.00 H new ATOM 1737 N ILE A 110 1.467 19.382 8.726 1.00 0.00 N ATOM 1738 CA ILE A 110 0.739 18.172 8.351 1.00 0.00 C ATOM 1739 C ILE A 110 0.077 17.581 9.587 1.00 0.00 C ATOM 1740 O ILE A 110 -1.036 17.025 9.530 1.00 0.00 O ATOM 1741 CB ILE A 110 1.703 17.131 7.723 1.00 0.00 C ATOM 1742 CG1 ILE A 110 2.409 17.769 6.539 1.00 0.00 C ATOM 1743 CG2 ILE A 110 0.945 15.879 7.280 1.00 0.00 C ATOM 1744 CD1 ILE A 110 3.460 16.918 5.888 1.00 0.00 C ATOM 0 H ILE A 110 2.434 19.215 9.005 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.021 18.429 7.613 1.00 0.00 H new ATOM 0 HB ILE A 110 2.436 16.825 8.470 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.662 18.033 5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.871 18.699 6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.644 15.166 6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.455 15.426 8.142 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.194 16.152 6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.904 17.462 5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.234 16.675 6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.006 15.998 5.520 1.00 0.00 H new ATOM 1973 N ILE B 206 25.806 15.020 7.933 1.00 0.00 N ATOM 1974 CA ILE B 206 25.778 15.292 6.524 1.00 0.00 C ATOM 1975 C ILE B 206 26.031 16.764 6.388 1.00 0.00 C ATOM 1976 O ILE B 206 25.576 17.537 7.227 1.00 0.00 O ATOM 1977 CB ILE B 206 24.408 15.025 5.873 1.00 0.00 C ATOM 1978 CG1 ILE B 206 23.672 13.832 6.502 1.00 0.00 C ATOM 1979 CG2 ILE B 206 24.621 14.787 4.400 1.00 0.00 C ATOM 1980 CD1 ILE B 206 24.356 12.489 6.365 1.00 0.00 C ATOM 0 HA ILE B 206 26.509 14.647 6.036 1.00 0.00 H new ATOM 0 HB ILE B 206 23.776 15.897 6.039 1.00 0.00 H new ATOM 0 HG12 ILE B 206 23.526 14.038 7.562 1.00 0.00 H new ATOM 0 HG13 ILE B 206 22.682 13.762 6.052 1.00 0.00 H new ATOM 0 HG21 ILE B 206 23.661 14.596 3.920 1.00 0.00 H new ATOM 0 HG22 ILE B 206 25.082 15.667 3.952 1.00 0.00 H new ATOM 0 HG23 ILE B 206 25.274 13.925 4.261 1.00 0.00 H new ATOM 0 HD11 ILE B 206 23.749 11.721 6.844 1.00 0.00 H new ATOM 0 HD12 ILE B 206 24.478 12.249 5.309 1.00 0.00 H new ATOM 0 HD13 ILE B 206 25.335 12.529 6.843 1.00 0.00 H new ATOM 1992 N ASP B 207 26.710 17.162 5.359 1.00 0.00 N ATOM 1993 CA ASP B 207 27.044 18.556 5.191 1.00 0.00 C ATOM 1994 C ASP B 207 26.334 19.136 3.972 1.00 0.00 C ATOM 1995 O ASP B 207 26.821 20.046 3.306 1.00 0.00 O ATOM 1996 CB ASP B 207 28.546 18.698 5.074 1.00 0.00 C ATOM 1997 CG ASP B 207 29.040 20.133 5.268 1.00 0.00 C ATOM 1998 OD1 ASP B 207 28.318 20.962 5.888 1.00 0.00 O1- ATOM 1999 OD2 ASP B 207 30.167 20.451 4.823 1.00 0.00 O ATOM 0 H ASP B 207 27.048 16.548 4.618 1.00 0.00 H new ATOM 0 HA ASP B 207 26.706 19.119 6.061 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.023 18.055 5.814 1.00 0.00 H new ATOM 0 HB3 ASP B 207 28.861 18.343 4.093 1.00 0.00 H new ATOM 2004 N ILE B 208 25.191 18.601 3.660 1.00 0.00 N ATOM 2005 CA ILE B 208 24.380 19.195 2.628 1.00 0.00 C ATOM 2006 C ILE B 208 23.340 20.046 3.331 1.00 0.00 C ATOM 2007 O ILE B 208 23.462 21.265 3.375 1.00 0.00 O ATOM 2008 CB ILE B 208 23.664 18.157 1.728 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.544 16.923 1.532 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.357 18.798 0.378 1.00 0.00 C ATOM 2011 CD1 ILE B 208 23.965 15.883 0.581 1.00 0.00 C ATOM 0 H ILE B 208 24.799 17.766 4.096 1.00 0.00 H new ATOM 0 HA ILE B 208 25.027 19.771 1.966 1.00 0.00 H new ATOM 0 HB ILE B 208 22.736 17.844 2.207 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.516 17.241 1.155 1.00 0.00 H new ATOM 0 HG13 ILE B 208 24.715 16.456 2.502 1.00 0.00 H new ATOM 0 HG21 ILE B 208 22.853 18.074 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE B 208 22.712 19.664 0.525 1.00 0.00 H new ATOM 0 HG23 ILE B 208 24.287 19.114 -0.094 1.00 0.00 H new ATOM 0 HD11 ILE B 208 24.653 15.041 0.500 1.00 0.00 H new ATOM 0 HD12 ILE B 208 23.007 15.533 0.965 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.820 16.330 -0.403 1.00 0.00 H new ATOM 2023 N MET B 209 22.365 19.354 3.959 1.00 0.00 N ATOM 2024 CA MET B 209 21.274 19.961 4.757 1.00 0.00 C ATOM 2025 C MET B 209 20.311 20.814 3.897 1.00 0.00 C ATOM 2026 O MET B 209 20.733 21.498 2.964 1.00 0.00 O ATOM 2027 CB MET B 209 21.826 20.764 5.958 1.00 0.00 C ATOM 2028 CG MET B 209 22.641 19.958 7.000 1.00 0.00 C ATOM 2029 SD MET B 209 21.673 18.912 8.158 1.00 0.00 S ATOM 2030 CE MET B 209 21.077 17.559 7.149 1.00 0.00 C ATOM 0 H MET B 209 22.312 18.336 3.926 1.00 0.00 H new ATOM 0 HA MET B 209 20.685 19.134 5.154 1.00 0.00 H new ATOM 0 HB2 MET B 209 22.457 21.565 5.574 1.00 0.00 H new ATOM 0 HB3 MET B 209 20.987 21.236 6.469 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.342 19.317 6.465 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.234 20.659 7.587 1.00 0.00 H new ATOM 0 HE1 MET B 209 21.056 16.645 7.742 1.00 0.00 H new ATOM 0 HE2 MET B 209 20.071 17.785 6.794 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.741 17.422 6.295 1.00 0.00 H new ATOM 2040 N PRO B 210 19.001 20.762 4.189 1.00 0.00 N ATOM 2041 CA PRO B 210 18.001 21.499 3.415 1.00 0.00 C ATOM 2042 C PRO B 210 18.014 22.992 3.728 1.00 0.00 C ATOM 2043 O PRO B 210 18.149 23.400 4.899 1.00 0.00 O ATOM 2044 CB PRO B 210 16.684 20.870 3.851 1.00 0.00 C ATOM 2045 CG PRO B 210 16.931 20.379 5.235 1.00 0.00 C ATOM 2046 CD PRO B 210 18.385 20.007 5.303 1.00 0.00 C ATOM 0 HA PRO B 210 18.183 21.434 2.342 1.00 0.00 H new ATOM 0 HB2 PRO B 210 15.873 21.598 3.829 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.398 20.054 3.188 1.00 0.00 H new ATOM 0 HG2 PRO B 210 16.693 21.150 5.968 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.300 19.519 5.460 1.00 0.00 H new ATOM 0 HD2 PRO B 210 18.823 20.283 6.262 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.528 18.933 5.184 1.00 0.00 H new ATOM 2054 N ASP B 211 17.869 23.802 2.699 1.00 0.00 N ATOM 2055 CA ASP B 211 17.906 25.252 2.869 1.00 0.00 C ATOM 2056 C ASP B 211 16.564 25.835 3.231 1.00 0.00 C ATOM 2057 O ASP B 211 16.483 26.692 4.102 1.00 0.00 O ATOM 2058 CB ASP B 211 18.475 25.972 1.640 1.00 0.00 C ATOM 2059 CG ASP B 211 19.983 26.044 1.640 1.00 0.00 C ATOM 2060 OD1 ASP B 211 20.650 25.092 1.183 1.00 0.00 O1- ATOM 2061 OD2 ASP B 211 20.533 27.072 2.091 1.00 0.00 O ATOM 0 H ASP B 211 17.725 23.490 1.739 1.00 0.00 H new ATOM 0 HA ASP B 211 18.581 25.421 3.708 1.00 0.00 H new ATOM 0 HB2 ASP B 211 18.142 25.457 0.739 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.069 26.983 1.598 1.00 0.00 H new ATOM 2066 N PHE B 212 15.513 25.357 2.569 1.00 0.00 N ATOM 2067 CA PHE B 212 14.141 25.877 2.755 1.00 0.00 C ATOM 2068 C PHE B 212 14.068 27.387 2.582 1.00 0.00 C ATOM 2069 O PHE B 212 13.939 28.141 3.542 1.00 0.00 O ATOM 2070 CB PHE B 212 13.495 25.463 4.084 1.00 0.00 C ATOM 2071 CG PHE B 212 13.188 24.012 4.199 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.226 23.440 3.390 1.00 0.00 C ATOM 2073 CD2 PHE B 212 13.836 23.223 5.126 1.00 0.00 C ATOM 2074 CE1 PHE B 212 11.916 22.110 3.504 1.00 0.00 C ATOM 2075 CE2 PHE B 212 13.530 21.887 5.242 1.00 0.00 C ATOM 2076 CZ PHE B 212 12.568 21.334 4.428 1.00 0.00 C ATOM 0 H PHE B 212 15.577 24.600 1.888 1.00 0.00 H new ATOM 0 HA PHE B 212 13.560 25.407 1.961 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.160 25.746 4.900 1.00 0.00 H new ATOM 0 HB3 PHE B 212 12.572 26.028 4.215 1.00 0.00 H new ATOM 0 HD1 PHE B 212 11.712 24.047 2.660 1.00 0.00 H new ATOM 0 HD2 PHE B 212 14.590 23.658 5.766 1.00 0.00 H new ATOM 0 HE1 PHE B 212 11.160 21.674 2.868 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.043 21.274 5.969 1.00 0.00 H new ATOM 0 HZ PHE B 212 12.326 20.285 4.517 1.00 0.00 H new ATOM 2086 N SER B 213 14.237 27.811 1.378 1.00 0.00 N ATOM 2087 CA SER B 213 14.184 29.194 0.992 1.00 0.00 C ATOM 2088 C SER B 213 13.886 29.167 -0.489 1.00 0.00 C ATOM 2089 O SER B 213 14.120 28.130 -1.105 1.00 0.00 O ATOM 2090 CB SER B 213 15.564 29.857 1.229 1.00 0.00 C ATOM 2091 OG SER B 213 16.013 29.678 2.574 1.00 0.00 O ATOM 0 H SER B 213 14.424 27.183 0.596 1.00 0.00 H new ATOM 0 HA SER B 213 13.442 29.755 1.560 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.295 29.431 0.542 1.00 0.00 H new ATOM 0 HB3 SER B 213 15.499 30.922 1.006 1.00 0.00 H new ATOM 0 HG SER B 213 16.887 30.107 2.687 1.00 0.00 H new ATOM 2097 N PRO B 214 13.307 30.204 -1.073 1.00 0.00 N ATOM 2098 CA PRO B 214 13.129 30.250 -2.515 1.00 0.00 C ATOM 2099 C PRO B 214 14.347 30.787 -3.200 1.00 0.00 C ATOM 2100 O PRO B 214 15.263 31.349 -2.561 1.00 0.00 O ATOM 2101 CB PRO B 214 12.050 31.283 -2.716 1.00 0.00 C ATOM 2102 CG PRO B 214 12.221 32.220 -1.573 1.00 0.00 C ATOM 2103 CD PRO B 214 12.715 31.389 -0.410 1.00 0.00 C ATOM 0 HA PRO B 214 12.913 29.257 -2.908 1.00 0.00 H new ATOM 0 HB2 PRO B 214 12.163 31.796 -3.671 1.00 0.00 H new ATOM 0 HB3 PRO B 214 11.059 30.829 -2.713 1.00 0.00 H new ATOM 0 HG2 PRO B 214 12.934 33.007 -1.819 1.00 0.00 H new ATOM 0 HG3 PRO B 214 11.279 32.710 -1.328 1.00 0.00 H new ATOM 0 HD2 PRO B 214 13.452 31.927 0.186 1.00 0.00 H new ATOM 0 HD3 PRO B 214 11.902 31.112 0.261 1.00 0.00 H new ATOM 2111 N SER B 215 14.375 30.607 -4.451 1.00 0.00 N ATOM 2112 CA SER B 215 15.282 31.254 -5.260 1.00 0.00 C ATOM 2113 C SER B 215 14.620 32.554 -5.716 1.00 0.00 C ATOM 2114 O SER B 215 13.464 32.874 -5.372 1.00 0.00 O ATOM 2115 CB SER B 215 15.644 30.389 -6.475 1.00 0.00 C ATOM 2116 OG SER B 215 14.519 30.220 -7.327 1.00 0.00 O ATOM 0 H SER B 215 13.741 29.982 -4.948 1.00 0.00 H new ATOM 0 HA SER B 215 16.206 31.452 -4.717 1.00 0.00 H new ATOM 0 HB2 SER B 215 16.459 30.855 -7.029 1.00 0.00 H new ATOM 0 HB3 SER B 215 16.002 29.415 -6.140 1.00 0.00 H new ATOM 0 HG SER B 215 13.768 29.860 -6.810 1.00 0.00 H new ATOM 2122 N GLY B 216 15.328 33.240 -6.475 1.00 0.00 N ATOM 2123 CA GLY B 216 14.904 34.462 -7.056 1.00 0.00 C ATOM 2124 C GLY B 216 14.130 34.214 -8.316 1.00 0.00 C ATOM 2125 O GLY B 216 13.399 35.075 -8.767 1.00 0.00 O ATOM 0 H GLY B 216 16.276 32.973 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY B 216 14.285 35.012 -6.346 1.00 0.00 H new ATOM 0 HA3 GLY B 216 15.771 35.086 -7.274 1.00 0.00 H new ATOM 2129 N LEU B 217 14.260 32.999 -8.882 1.00 0.00 N ATOM 2130 CA LEU B 217 13.502 32.651 -10.082 1.00 0.00 C ATOM 2131 C LEU B 217 12.069 32.659 -9.701 1.00 0.00 C ATOM 2132 O LEU B 217 11.232 33.234 -10.366 1.00 0.00 O ATOM 2133 CB LEU B 217 13.813 31.237 -10.576 1.00 0.00 C ATOM 2134 CG LEU B 217 15.260 30.871 -10.811 1.00 0.00 C ATOM 2135 CD1 LEU B 217 15.346 29.492 -11.394 1.00 0.00 C ATOM 2136 CD2 LEU B 217 15.965 31.873 -11.689 1.00 0.00 C ATOM 0 H LEU B 217 14.871 32.261 -8.531 1.00 0.00 H new ATOM 0 HA LEU B 217 13.757 33.361 -10.869 1.00 0.00 H new ATOM 0 HB2 LEU B 217 13.404 30.533 -9.852 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.273 31.083 -11.511 1.00 0.00 H new ATOM 0 HG LEU B 217 15.771 30.886 -9.848 1.00 0.00 H new ATOM 0 HD11 LEU B 217 16.391 29.232 -11.562 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.901 28.776 -10.703 1.00 0.00 H new ATOM 0 HD13 LEU B 217 14.808 29.464 -12.342 1.00 0.00 H new ATOM 0 HD21 LEU B 217 17.002 31.568 -11.830 1.00 0.00 H new ATOM 0 HD22 LEU B 217 15.467 31.922 -12.657 1.00 0.00 H new ATOM 0 HD23 LEU B 217 15.937 32.855 -11.216 1.00 0.00 H new ATOM 2148 N LEU B 218 11.837 32.079 -8.557 1.00 0.00 N ATOM 2149 CA LEU B 218 10.544 31.900 -7.982 1.00 0.00 C ATOM 2150 C LEU B 218 9.778 33.206 -7.862 1.00 0.00 C ATOM 2151 O LEU B 218 8.620 33.286 -8.273 1.00 0.00 O ATOM 2152 CB LEU B 218 10.703 31.222 -6.630 1.00 0.00 C ATOM 2153 CG LEU B 218 10.025 29.835 -6.504 1.00 0.00 C ATOM 2154 CD1 LEU B 218 8.516 29.962 -6.632 1.00 0.00 C ATOM 2155 CD2 LEU B 218 10.541 28.875 -7.572 1.00 0.00 C ATOM 0 H LEU B 218 12.585 31.701 -7.976 1.00 0.00 H new ATOM 0 HA LEU B 218 9.951 31.268 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU B 218 11.767 31.109 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU B 218 10.295 31.879 -5.862 1.00 0.00 H new ATOM 0 HG LEU B 218 10.272 29.437 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU B 218 8.059 28.977 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU B 218 8.137 30.612 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU B 218 8.268 30.388 -7.604 1.00 0.00 H new ATOM 0 HD21 LEU B 218 10.049 27.909 -7.461 1.00 0.00 H new ATOM 0 HD22 LEU B 218 10.326 29.281 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU B 218 11.618 28.749 -7.458 1.00 0.00 H new ATOM 2167 N GLU B 219 10.434 34.241 -7.373 1.00 0.00 N ATOM 2168 CA GLU B 219 9.770 35.518 -7.179 1.00 0.00 C ATOM 2169 C GLU B 219 9.529 36.243 -8.505 1.00 0.00 C ATOM 2170 O GLU B 219 8.644 37.076 -8.604 1.00 0.00 O ATOM 2171 CB GLU B 219 10.527 36.404 -6.194 1.00 0.00 C ATOM 2172 CG GLU B 219 11.920 36.810 -6.630 1.00 0.00 C ATOM 2173 CD GLU B 219 12.619 37.639 -5.591 1.00 0.00 C ATOM 2174 OE1 GLU B 219 12.182 38.791 -5.340 1.00 0.00 O1- ATOM 2175 OE2 GLU B 219 13.585 37.145 -4.972 1.00 0.00 O ATOM 0 H GLU B 219 11.418 34.225 -7.104 1.00 0.00 H new ATOM 0 HA GLU B 219 8.794 35.303 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU B 219 9.941 37.306 -6.018 1.00 0.00 H new ATOM 0 HB3 GLU B 219 10.600 35.880 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU B 219 12.509 35.917 -6.837 1.00 0.00 H new ATOM 0 HG3 GLU B 219 11.858 37.373 -7.561 1.00 0.00 H new ATOM 2182 N LEU B 220 10.299 35.905 -9.521 1.00 0.00 N ATOM 2183 CA LEU B 220 10.135 36.517 -10.837 1.00 0.00 C ATOM 2184 C LEU B 220 9.027 35.800 -11.601 1.00 0.00 C ATOM 2185 O LEU B 220 8.244 36.414 -12.339 1.00 0.00 O ATOM 2186 CB LEU B 220 11.444 36.438 -11.637 1.00 0.00 C ATOM 2187 CG LEU B 220 12.682 37.066 -10.986 1.00 0.00 C ATOM 2188 CD1 LEU B 220 13.896 36.912 -11.884 1.00 0.00 C ATOM 2189 CD2 LEU B 220 12.447 38.527 -10.653 1.00 0.00 C ATOM 0 H LEU B 220 11.045 35.212 -9.467 1.00 0.00 H new ATOM 0 HA LEU B 220 9.870 37.566 -10.702 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.659 35.388 -11.837 1.00 0.00 H new ATOM 0 HB3 LEU B 220 11.284 36.920 -12.602 1.00 0.00 H new ATOM 0 HG LEU B 220 12.872 36.536 -10.053 1.00 0.00 H new ATOM 0 HD11 LEU B 220 14.764 37.364 -11.404 1.00 0.00 H new ATOM 0 HD12 LEU B 220 14.088 35.853 -12.058 1.00 0.00 H new ATOM 0 HD13 LEU B 220 13.709 37.408 -12.837 1.00 0.00 H new ATOM 0 HD21 LEU B 220 13.343 38.944 -10.193 1.00 0.00 H new ATOM 0 HD22 LEU B 220 12.219 39.076 -11.566 1.00 0.00 H new ATOM 0 HD23 LEU B 220 11.610 38.612 -9.960 1.00 0.00 H new ATOM 2201 N GLU B 221 8.946 34.500 -11.385 1.00 0.00 N ATOM 2202 CA GLU B 221 7.976 33.646 -12.057 1.00 0.00 C ATOM 2203 C GLU B 221 6.606 33.709 -11.396 1.00 0.00 C ATOM 2204 O GLU B 221 5.635 33.146 -11.900 1.00 0.00 O ATOM 2205 CB GLU B 221 8.479 32.222 -12.089 1.00 0.00 C ATOM 2206 CG GLU B 221 9.810 32.064 -12.808 1.00 0.00 C ATOM 2207 CD GLU B 221 9.771 32.463 -14.261 1.00 0.00 C ATOM 2208 OE1 GLU B 221 9.882 33.666 -14.577 1.00 0.00 O1- ATOM 2209 OE2 GLU B 221 9.674 31.576 -15.115 1.00 0.00 O ATOM 0 H GLU B 221 9.554 34.001 -10.735 1.00 0.00 H new ATOM 0 HA GLU B 221 7.861 34.013 -13.077 1.00 0.00 H new ATOM 0 HB2 GLU B 221 8.582 31.859 -11.067 1.00 0.00 H new ATOM 0 HB3 GLU B 221 7.735 31.593 -12.577 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.562 32.665 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU B 221 10.130 31.024 -12.735 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.219 24.800 -0.437 1.00 0.00 N ATOM 2462 CA PRO C 315 -2.789 25.093 -0.206 1.00 0.00 C ATOM 2463 C PRO C 315 -2.338 24.917 1.255 1.00 0.00 C ATOM 2464 O PRO C 315 -3.143 24.993 2.198 1.00 0.00 O ATOM 2465 CB PRO C 315 -2.657 26.562 -0.613 1.00 0.00 C ATOM 2466 CG PRO C 315 -3.803 26.812 -1.519 1.00 0.00 C ATOM 2467 CD PRO C 315 -4.920 25.983 -0.986 1.00 0.00 C ATOM 0 HA PRO C 315 -2.161 24.402 -0.768 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -2.691 27.218 0.257 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -1.708 26.749 -1.116 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.070 27.869 -1.532 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -3.561 26.532 -2.544 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -5.484 26.511 -0.218 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -5.627 25.707 -1.768 1.00 0.00 H new ATOM 2475 N GLY C 316 -1.059 24.666 1.418 1.00 0.00 N ATOM 2476 CA GLY C 316 -0.463 24.509 2.713 1.00 0.00 C ATOM 2477 C GLY C 316 0.357 25.725 3.103 1.00 0.00 C ATOM 2478 O GLY C 316 0.404 26.718 2.356 1.00 0.00 O ATOM 0 H GLY C 316 -0.402 24.565 0.644 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -1.244 24.343 3.455 1.00 0.00 H new ATOM 0 HA3 GLY C 316 0.174 23.624 2.716 1.00 0.00 H new ATOM 2482 N SER C 317 1.037 25.628 4.229 1.00 0.00 N ATOM 2483 CA SER C 317 1.820 26.720 4.801 1.00 0.00 C ATOM 2484 C SER C 317 3.021 27.150 3.924 1.00 0.00 C ATOM 2485 O SER C 317 3.493 28.289 4.021 1.00 0.00 O ATOM 2486 CB SER C 317 2.289 26.306 6.211 1.00 0.00 C ATOM 2487 OG SER C 317 3.040 27.314 6.866 1.00 0.00 O ATOM 0 H SER C 317 1.065 24.774 4.787 1.00 0.00 H new ATOM 0 HA SER C 317 1.174 27.597 4.853 1.00 0.00 H new ATOM 0 HB2 SER C 317 1.419 26.057 6.818 1.00 0.00 H new ATOM 0 HB3 SER C 317 2.894 25.402 6.135 1.00 0.00 H new ATOM 0 HG SER C 317 3.308 26.997 7.754 1.00 0.00 H new ATOM 2493 N ARG C 318 3.484 26.284 3.049 1.00 0.00 N ATOM 2494 CA ARG C 318 4.681 26.593 2.276 1.00 0.00 C ATOM 2495 C ARG C 318 4.380 27.352 0.993 1.00 0.00 C ATOM 2496 O ARG C 318 5.290 27.813 0.319 1.00 0.00 O ATOM 2497 CB ARG C 318 5.505 25.331 2.012 1.00 0.00 C ATOM 2498 CG ARG C 318 6.125 24.713 3.265 1.00 0.00 C ATOM 2499 CD ARG C 318 7.403 25.442 3.730 1.00 0.00 C ATOM 2500 NE ARG C 318 7.245 26.901 3.893 1.00 0.00 N ATOM 2501 CZ ARG C 318 6.832 27.547 5.001 1.00 0.00 C ATOM 2502 NH1 ARG C 318 6.391 26.876 6.054 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 6.866 28.872 5.035 1.00 0.00 N ATOM 0 H ARG C 318 3.064 25.375 2.853 1.00 0.00 H new ATOM 0 HA ARG C 318 5.283 27.267 2.885 1.00 0.00 H new ATOM 0 HB2 ARG C 318 4.868 24.589 1.532 1.00 0.00 H new ATOM 0 HB3 ARG C 318 6.301 25.571 1.307 1.00 0.00 H new ATOM 0 HG2 ARG C 318 5.392 24.728 4.071 1.00 0.00 H new ATOM 0 HG3 ARG C 318 6.361 23.667 3.068 1.00 0.00 H new ATOM 0 HD2 ARG C 318 7.726 25.015 4.680 1.00 0.00 H new ATOM 0 HD3 ARG C 318 8.198 25.253 3.009 1.00 0.00 H new ATOM 0 HE ARG C 318 7.472 27.479 3.084 1.00 0.00 H new ATOM 0 HH11 ARG C 318 6.361 25.857 6.033 1.00 0.00 H new ATOM 0 HH12 ARG C 318 6.082 27.378 6.886 1.00 0.00 H new ATOM 0 HH21 ARG C 318 7.203 29.394 4.226 1.00 0.00 H new ATOM 0 HH22 ARG C 318 6.555 29.369 5.870 1.00 0.00 H new ATOM 2517 N TRP C 319 3.114 27.490 0.663 1.00 0.00 N ATOM 2518 CA TRP C 319 2.740 28.217 -0.528 1.00 0.00 C ATOM 2519 C TRP C 319 2.568 29.690 -0.202 1.00 0.00 C ATOM 2520 O TRP C 319 1.898 30.051 0.781 1.00 0.00 O ATOM 2521 CB TRP C 319 1.457 27.634 -1.154 1.00 0.00 C ATOM 2522 CG TRP C 319 0.957 28.365 -2.382 1.00 0.00 C ATOM 2523 CD1 TRP C 319 1.525 28.394 -3.629 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -0.236 29.151 -2.479 1.00 0.00 C ATOM 2525 NE1 TRP C 319 0.758 29.156 -4.473 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -0.324 29.624 -3.799 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -1.233 29.500 -1.577 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -1.373 30.424 -4.237 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -2.273 30.291 -2.009 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -2.336 30.746 -3.328 1.00 0.00 C ATOM 0 H TRP C 319 2.333 27.111 1.198 1.00 0.00 H new ATOM 0 HA TRP C 319 3.538 28.114 -1.264 1.00 0.00 H new ATOM 0 HB2 TRP C 319 1.640 26.593 -1.419 1.00 0.00 H new ATOM 0 HB3 TRP C 319 0.669 27.638 -0.401 1.00 0.00 H new ATOM 0 HD1 TRP C 319 2.440 27.892 -3.906 1.00 0.00 H new ATOM 0 HE1 TRP C 319 0.968 29.342 -5.454 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -1.193 29.156 -0.554 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -1.423 30.776 -5.257 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -3.054 30.565 -1.316 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -3.165 31.366 -3.634 1.00 0.00 H new ATOM 2541 N ASP C 320 3.214 30.525 -0.978 1.00 0.00 N ATOM 2542 CA ASP C 320 3.088 31.966 -0.828 1.00 0.00 C ATOM 2543 C ASP C 320 1.931 32.479 -1.683 1.00 0.00 C ATOM 2544 O ASP C 320 0.788 32.562 -1.217 1.00 0.00 O ATOM 2545 CB ASP C 320 4.409 32.685 -1.190 1.00 0.00 C ATOM 2546 CG ASP C 320 4.306 34.204 -1.129 1.00 0.00 C ATOM 2547 OD1 ASP C 320 4.517 34.785 -0.059 1.00 0.00 O ATOM 2548 OD2 ASP C 320 4.031 34.834 -2.165 1.00 0.00 O1- ATOM 0 H ASP C 320 3.840 30.234 -1.729 1.00 0.00 H new ATOM 0 HA ASP C 320 2.875 32.188 0.218 1.00 0.00 H new ATOM 0 HB2 ASP C 320 5.193 32.354 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP C 320 4.712 32.389 -2.194 1.00 0.00 H new ATOM 2553 N GLY C 321 2.211 32.764 -2.937 1.00 0.00 N ATOM 2554 CA GLY C 321 1.191 33.220 -3.836 1.00 0.00 C ATOM 2555 C GLY C 321 1.580 33.010 -5.271 1.00 0.00 C ATOM 2556 O GLY C 321 1.170 33.767 -6.155 1.00 0.00 O ATOM 0 H GLY C 321 3.140 32.685 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY C 321 0.261 32.690 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY C 321 1.000 34.279 -3.662 1.00 0.00 H new