USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=27 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 180:sc= -1.34 USER MOD Set 1.2: A 99 TYR OH : rot 15:sc= 0.267 USER MOD Set 2.1: A 34 TYR OH : rot 79:sc= -0.688 USER MOD Set 2.2: A 59 TYR OH : rot -152:sc= 1.22 USER MOD Single : A 10 ASN : amide:sc= -0.0671 K(o=-0.067,f=-0.98) USER MOD Single : A 12 TYR OH : rot -138:sc= 1.24 USER MOD Single : A 14 TYR OH : rot -9:sc= 0.0838 USER MOD Single : A 17 ASN : amide:sc= 0.0687 K(o=0.069,f=-1.3) USER MOD Single : A 19 ASN : amide:sc= -5.12! C(o=-5.1!,f=-10!) USER MOD Single : A 23 THR OG1 : rot -90:sc= -0.408 USER MOD Single : A 29 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 32 SER OG : rot -84:sc= 0.742 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.0309 X(o=0.031,f=0) USER MOD Single : A 48 THR OG1 : rot -29:sc= 0.561 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.835 X(o=-0.83,f=-0.57) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.1!) USER MOD Single : A 64 SER OG : rot -102:sc= 0.318 USER MOD Single : A 65 THR OG1 : rot -143:sc= 1.14 USER MOD Single : A 71 ASN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 73 ASN : amide:sc= -2.86! C(o=-2.9!,f=-11!) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc=-0.00273 (180deg=-0.0632) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HE2:sc= -0.61 K(o=-0.61,f=-4.4!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.14) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.381 K(o=-0.38,f=-2.2!) USER MOD Single : A 97 LYS NZ :NH3+ -147:sc= 0.781 (180deg=-1.16!) USER MOD Single : A 98 TYR OH : rot 13:sc= 1.2 USER MOD Single : A 103 LYS NZ :NH3+ -136:sc= -0.76 (180deg=-3.27!) USER MOD Single : B 209 MET CE :methyl 152:sc= -1.35 (180deg=-3.1!) USER MOD Single : B 213 SER OG : rot 108:sc= 0.533 USER MOD Single : B 215 SER OG : rot -55:sc= 1.04 USER MOD Single : C 317 SER OG : rot 81:sc= 0.921 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 4.482 3.668 -6.669 1.00 0.00 N ATOM 129 CA ASN A 10 5.512 4.691 -6.604 1.00 0.00 C ATOM 130 C ASN A 10 4.857 6.025 -6.308 1.00 0.00 C ATOM 131 O ASN A 10 4.357 6.710 -7.208 1.00 0.00 O ATOM 132 CB ASN A 10 6.362 4.748 -7.902 1.00 0.00 C ATOM 133 CG ASN A 10 7.270 3.520 -8.115 1.00 0.00 C ATOM 134 OD1 ASN A 10 8.333 3.611 -8.714 1.00 0.00 O ATOM 135 ND2 ASN A 10 6.873 2.377 -7.627 1.00 0.00 N ATOM 0 HA ASN A 10 6.207 4.442 -5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.693 4.845 -8.757 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.981 5.645 -7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.451 1.545 -7.743 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.984 2.316 -7.130 1.00 0.00 H new ATOM 142 N ALA A 11 4.790 6.342 -5.023 1.00 0.00 N ATOM 143 CA ALA A 11 4.125 7.548 -4.546 1.00 0.00 C ATOM 144 C ALA A 11 5.048 8.760 -4.572 1.00 0.00 C ATOM 145 O ALA A 11 4.620 9.885 -4.305 1.00 0.00 O ATOM 146 CB ALA A 11 3.572 7.322 -3.145 1.00 0.00 C ATOM 0 H ALA A 11 5.195 5.771 -4.281 1.00 0.00 H new ATOM 0 HA ALA A 11 3.300 7.761 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.077 8.229 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.854 6.502 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.389 7.072 -2.467 1.00 0.00 H new ATOM 152 N TYR A 12 6.298 8.529 -4.875 1.00 0.00 N ATOM 153 CA TYR A 12 7.250 9.601 -4.998 1.00 0.00 C ATOM 154 C TYR A 12 7.240 10.114 -6.408 1.00 0.00 C ATOM 155 O TYR A 12 7.058 9.352 -7.360 1.00 0.00 O ATOM 156 CB TYR A 12 8.665 9.163 -4.584 1.00 0.00 C ATOM 157 CG TYR A 12 8.911 9.164 -3.093 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.222 8.315 -2.235 1.00 0.00 C ATOM 159 CD2 TYR A 12 9.843 10.032 -2.544 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.452 8.342 -0.871 1.00 0.00 C ATOM 161 CE2 TYR A 12 10.082 10.060 -1.187 1.00 0.00 C ATOM 162 CZ TYR A 12 9.384 9.219 -0.352 1.00 0.00 C ATOM 163 OH TYR A 12 9.615 9.253 1.012 1.00 0.00 O ATOM 0 H TYR A 12 6.683 7.599 -5.042 1.00 0.00 H new ATOM 0 HA TYR A 12 6.957 10.401 -4.318 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.848 8.160 -4.969 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.390 9.824 -5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.497 7.624 -2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 12 10.392 10.699 -3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.905 7.680 -0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.815 10.741 -0.780 1.00 0.00 H new ATOM 0 HH TYR A 12 9.701 10.184 1.306 1.00 0.00 H new ATOM 173 N ILE A 13 7.383 11.378 -6.549 1.00 0.00 N ATOM 174 CA ILE A 13 7.393 11.974 -7.833 1.00 0.00 C ATOM 175 C ILE A 13 8.777 12.460 -8.186 1.00 0.00 C ATOM 176 O ILE A 13 9.512 12.986 -7.337 1.00 0.00 O ATOM 177 CB ILE A 13 6.356 13.123 -7.975 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.635 14.266 -6.988 1.00 0.00 C ATOM 179 CG2 ILE A 13 4.947 12.581 -7.796 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.652 15.407 -7.062 1.00 0.00 C ATOM 0 H ILE A 13 7.497 12.032 -5.775 1.00 0.00 H new ATOM 0 HA ILE A 13 7.098 11.197 -8.539 1.00 0.00 H new ATOM 0 HB ILE A 13 6.448 13.537 -8.979 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.631 13.864 -5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.637 14.653 -7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.229 13.394 -7.897 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.749 11.825 -8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.852 12.134 -6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.924 16.169 -6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.671 15.840 -8.062 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.649 15.038 -6.845 1.00 0.00 H new ATOM 192 N TYR A 14 9.130 12.226 -9.406 1.00 0.00 N ATOM 193 CA TYR A 14 10.366 12.657 -9.981 1.00 0.00 C ATOM 194 C TYR A 14 10.169 14.028 -10.527 1.00 0.00 C ATOM 195 O TYR A 14 9.310 14.230 -11.369 1.00 0.00 O ATOM 196 CB TYR A 14 10.797 11.685 -11.106 1.00 0.00 C ATOM 197 CG TYR A 14 11.789 12.254 -12.111 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.143 12.372 -11.817 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.352 12.672 -13.364 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.027 12.894 -12.745 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.220 13.192 -14.290 1.00 0.00 C ATOM 202 CZ TYR A 14 13.562 13.303 -13.978 1.00 0.00 C ATOM 203 OH TYR A 14 14.444 13.820 -14.910 1.00 0.00 O ATOM 0 H TYR A 14 8.542 11.708 -10.059 1.00 0.00 H new ATOM 0 HA TYR A 14 11.151 12.666 -9.225 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.236 10.798 -10.649 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.906 11.359 -11.644 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.509 12.052 -10.853 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.305 12.585 -13.613 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.076 12.981 -12.505 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.858 13.512 -15.256 1.00 0.00 H new ATOM 0 HH TYR A 14 15.319 13.960 -14.490 1.00 0.00 H new ATOM 213 N ILE A 15 10.911 14.955 -10.031 1.00 0.00 N ATOM 214 CA ILE A 15 10.854 16.288 -10.521 1.00 0.00 C ATOM 215 C ILE A 15 12.184 16.553 -11.193 1.00 0.00 C ATOM 216 O ILE A 15 13.231 16.591 -10.535 1.00 0.00 O ATOM 217 CB ILE A 15 10.644 17.315 -9.387 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.587 16.810 -8.393 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.184 18.641 -9.995 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.473 17.645 -7.137 1.00 0.00 C ATOM 0 H ILE A 15 11.577 14.810 -9.272 1.00 0.00 H new ATOM 0 HA ILE A 15 10.011 16.393 -11.204 1.00 0.00 H new ATOM 0 HB ILE A 15 11.584 17.455 -8.853 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.617 16.787 -8.890 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.827 15.784 -8.114 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.033 19.372 -9.201 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.943 19.007 -10.686 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.247 18.490 -10.532 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.706 17.223 -6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.429 17.648 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.201 18.667 -7.403 1.00 0.00 H new ATOM 232 N GLY A 16 12.159 16.682 -12.473 1.00 0.00 N ATOM 233 CA GLY A 16 13.362 16.878 -13.212 1.00 0.00 C ATOM 234 C GLY A 16 13.326 18.144 -14.002 1.00 0.00 C ATOM 235 O GLY A 16 12.280 18.798 -14.078 1.00 0.00 O ATOM 0 H GLY A 16 11.310 16.655 -13.038 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.210 16.901 -12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.517 16.034 -13.884 1.00 0.00 H new ATOM 239 N ASN A 17 14.464 18.483 -14.584 1.00 0.00 N ATOM 240 CA ASN A 17 14.655 19.682 -15.410 1.00 0.00 C ATOM 241 C ASN A 17 14.556 20.952 -14.556 1.00 0.00 C ATOM 242 O ASN A 17 13.956 21.950 -14.945 1.00 0.00 O ATOM 243 CB ASN A 17 13.669 19.736 -16.612 1.00 0.00 C ATOM 244 CG ASN A 17 14.049 20.807 -17.639 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.226 21.108 -17.831 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.073 21.407 -18.274 1.00 0.00 N ATOM 0 H ASN A 17 15.310 17.921 -14.497 1.00 0.00 H new ATOM 0 HA ASN A 17 15.659 19.626 -15.830 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.644 18.762 -17.101 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.663 19.933 -16.243 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.280 22.144 -18.948 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.106 21.137 -18.095 1.00 0.00 H new ATOM 253 N LEU A 18 15.147 20.912 -13.383 1.00 0.00 N ATOM 254 CA LEU A 18 15.220 22.101 -12.564 1.00 0.00 C ATOM 255 C LEU A 18 16.512 22.797 -12.872 1.00 0.00 C ATOM 256 O LEU A 18 17.446 22.185 -13.410 1.00 0.00 O ATOM 257 CB LEU A 18 15.164 21.831 -11.038 1.00 0.00 C ATOM 258 CG LEU A 18 13.856 21.317 -10.426 1.00 0.00 C ATOM 259 CD1 LEU A 18 13.567 19.898 -10.841 1.00 0.00 C ATOM 260 CD2 LEU A 18 13.904 21.429 -8.916 1.00 0.00 C ATOM 0 H LEU A 18 15.579 20.081 -12.979 1.00 0.00 H new ATOM 0 HA LEU A 18 14.344 22.703 -12.804 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.945 21.108 -10.802 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.424 22.759 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 18 13.045 21.940 -10.803 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.632 19.569 -10.387 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.481 19.847 -11.926 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.378 19.250 -10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.969 21.061 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.734 20.835 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.044 22.472 -8.633 1.00 0.00 H new ATOM 272 N ASN A 19 16.572 24.045 -12.568 1.00 0.00 N ATOM 273 CA ASN A 19 17.783 24.799 -12.744 1.00 0.00 C ATOM 274 C ASN A 19 18.573 24.775 -11.446 1.00 0.00 C ATOM 275 O ASN A 19 18.065 24.315 -10.417 1.00 0.00 O ATOM 276 CB ASN A 19 17.527 26.232 -13.243 1.00 0.00 C ATOM 277 CG ASN A 19 16.517 26.956 -12.429 1.00 0.00 C ATOM 278 OD1 ASN A 19 16.824 27.479 -11.382 1.00 0.00 O ATOM 279 ND2 ASN A 19 15.300 27.046 -12.939 1.00 0.00 N ATOM 0 H ASN A 19 15.790 24.580 -12.190 1.00 0.00 H new ATOM 0 HA ASN A 19 18.373 24.328 -13.530 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.464 26.789 -13.229 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.193 26.196 -14.280 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.578 27.572 -12.446 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.083 26.590 -13.825 1.00 0.00 H new ATOM 286 N ARG A 20 19.787 25.257 -11.500 1.00 0.00 N ATOM 287 CA ARG A 20 20.748 25.160 -10.404 1.00 0.00 C ATOM 288 C ARG A 20 20.303 25.955 -9.165 1.00 0.00 C ATOM 289 O ARG A 20 20.547 25.547 -8.028 1.00 0.00 O ATOM 290 CB ARG A 20 22.102 25.692 -10.893 1.00 0.00 C ATOM 291 CG ARG A 20 23.296 25.288 -10.047 1.00 0.00 C ATOM 292 CD ARG A 20 23.543 23.798 -10.149 1.00 0.00 C ATOM 293 NE ARG A 20 23.678 23.338 -11.543 1.00 0.00 N ATOM 294 CZ ARG A 20 23.839 22.063 -11.905 1.00 0.00 C ATOM 295 NH1 ARG A 20 24.136 21.159 -11.003 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 23.767 21.708 -13.184 1.00 0.00 N ATOM 0 H ARG A 20 20.155 25.740 -12.320 1.00 0.00 H new ATOM 0 HA ARG A 20 20.821 24.114 -10.108 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.265 25.344 -11.913 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.055 26.780 -10.931 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.182 25.832 -10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.121 25.562 -9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.449 23.545 -9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.721 23.264 -9.672 1.00 0.00 H new ATOM 0 HE ARG A 20 23.646 24.041 -12.281 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.244 21.430 -10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.259 20.185 -11.279 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.587 22.412 -13.899 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.892 20.731 -13.450 1.00 0.00 H new ATOM 310 N GLU A 21 19.660 27.063 -9.402 1.00 0.00 N ATOM 311 CA GLU A 21 19.249 27.969 -8.352 1.00 0.00 C ATOM 312 C GLU A 21 17.979 27.551 -7.586 1.00 0.00 C ATOM 313 O GLU A 21 17.678 28.108 -6.521 1.00 0.00 O ATOM 314 CB GLU A 21 19.210 29.450 -8.826 1.00 0.00 C ATOM 315 CG GLU A 21 18.819 29.693 -10.291 1.00 0.00 C ATOM 316 CD GLU A 21 19.931 29.336 -11.278 1.00 0.00 C ATOM 317 OE1 GLU A 21 20.846 30.163 -11.479 1.00 0.00 O ATOM 318 OE2 GLU A 21 19.921 28.227 -11.846 1.00 0.00 O1- ATOM 0 H GLU A 21 19.400 27.372 -10.339 1.00 0.00 H new ATOM 0 HA GLU A 21 20.040 27.893 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.509 29.992 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.194 29.887 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.931 29.106 -10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.551 30.742 -10.420 1.00 0.00 H new ATOM 325 N LEU A 22 17.246 26.594 -8.100 1.00 0.00 N ATOM 326 CA LEU A 22 16.072 26.091 -7.396 1.00 0.00 C ATOM 327 C LEU A 22 16.476 25.099 -6.286 1.00 0.00 C ATOM 328 O LEU A 22 17.093 24.062 -6.542 1.00 0.00 O ATOM 329 CB LEU A 22 15.093 25.438 -8.391 1.00 0.00 C ATOM 330 CG LEU A 22 14.581 26.363 -9.503 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.650 25.661 -10.452 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.900 27.570 -8.931 1.00 0.00 C ATOM 0 H LEU A 22 17.432 26.145 -8.997 1.00 0.00 H new ATOM 0 HA LEU A 22 15.569 26.932 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.585 24.581 -8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.237 25.055 -7.836 1.00 0.00 H new ATOM 0 HG LEU A 22 15.459 26.677 -10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.317 26.360 -11.219 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.171 24.827 -10.923 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.786 25.286 -9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.548 28.207 -9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.052 27.255 -8.322 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.604 28.126 -8.312 1.00 0.00 H new ATOM 344 N THR A 23 16.152 25.460 -5.060 1.00 0.00 N ATOM 345 CA THR A 23 16.432 24.643 -3.877 1.00 0.00 C ATOM 346 C THR A 23 15.098 24.113 -3.250 1.00 0.00 C ATOM 347 O THR A 23 14.021 24.442 -3.758 1.00 0.00 O ATOM 348 CB THR A 23 17.297 25.457 -2.863 1.00 0.00 C ATOM 349 OG1 THR A 23 17.589 24.717 -1.682 1.00 0.00 O ATOM 350 CG2 THR A 23 16.623 26.739 -2.479 1.00 0.00 C ATOM 0 H THR A 23 15.681 26.339 -4.846 1.00 0.00 H new ATOM 0 HA THR A 23 17.011 23.765 -4.164 1.00 0.00 H new ATOM 0 HB THR A 23 18.234 25.675 -3.375 1.00 0.00 H new ATOM 0 HG1 THR A 23 16.888 24.874 -1.016 1.00 0.00 H new ATOM 0 HG21 THR A 23 17.250 27.282 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 23 16.467 27.349 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.661 26.520 -2.016 1.00 0.00 H new ATOM 358 N GLU A 24 15.167 23.348 -2.118 1.00 0.00 N ATOM 359 CA GLU A 24 13.964 22.694 -1.505 1.00 0.00 C ATOM 360 C GLU A 24 12.844 23.685 -1.229 1.00 0.00 C ATOM 361 O GLU A 24 11.681 23.427 -1.538 1.00 0.00 O ATOM 362 CB GLU A 24 14.257 21.978 -0.168 1.00 0.00 C ATOM 363 CG GLU A 24 15.393 20.977 -0.156 1.00 0.00 C ATOM 364 CD GLU A 24 16.740 21.624 0.079 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.788 22.727 0.711 1.00 0.00 O ATOM 366 OE2 GLU A 24 17.764 21.045 -0.342 1.00 0.00 O1- ATOM 0 H GLU A 24 16.036 23.169 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 24 13.665 21.961 -2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.468 22.738 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.349 21.463 0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.210 20.236 0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.412 20.444 -1.106 1.00 0.00 H new ATOM 373 N GLY A 25 13.213 24.822 -0.656 1.00 0.00 N ATOM 374 CA GLY A 25 12.241 25.834 -0.258 1.00 0.00 C ATOM 375 C GLY A 25 11.430 26.366 -1.419 1.00 0.00 C ATOM 376 O GLY A 25 10.249 26.677 -1.268 1.00 0.00 O ATOM 0 H GLY A 25 14.182 25.069 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.566 25.409 0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.763 26.662 0.223 1.00 0.00 H new ATOM 380 N ASP A 26 12.050 26.430 -2.571 1.00 0.00 N ATOM 381 CA ASP A 26 11.428 26.937 -3.764 1.00 0.00 C ATOM 382 C ASP A 26 10.388 25.946 -4.257 1.00 0.00 C ATOM 383 O ASP A 26 9.223 26.290 -4.509 1.00 0.00 O ATOM 384 CB ASP A 26 12.495 27.114 -4.811 1.00 0.00 C ATOM 385 CG ASP A 26 11.974 27.805 -5.995 1.00 0.00 C ATOM 386 OD1 ASP A 26 12.038 29.047 -5.998 1.00 0.00 O1- ATOM 387 OD2 ASP A 26 11.510 27.146 -6.921 1.00 0.00 O ATOM 0 H ASP A 26 13.014 26.127 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 26 10.938 27.889 -3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.326 27.682 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.888 26.139 -5.100 1.00 0.00 H new ATOM 392 N ILE A 27 10.820 24.701 -4.316 1.00 0.00 N ATOM 393 CA ILE A 27 10.004 23.567 -4.724 1.00 0.00 C ATOM 394 C ILE A 27 8.779 23.468 -3.826 1.00 0.00 C ATOM 395 O ILE A 27 7.655 23.267 -4.295 1.00 0.00 O ATOM 396 CB ILE A 27 10.836 22.275 -4.604 1.00 0.00 C ATOM 397 CG1 ILE A 27 12.098 22.417 -5.446 1.00 0.00 C ATOM 398 CG2 ILE A 27 10.029 21.054 -5.051 1.00 0.00 C ATOM 399 CD1 ILE A 27 13.128 21.368 -5.176 1.00 0.00 C ATOM 0 H ILE A 27 11.776 24.440 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 27 9.682 23.702 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 27 11.107 22.124 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.825 22.381 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.536 23.398 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.642 20.158 -4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.142 20.955 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.728 21.178 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.996 21.537 -5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.431 21.417 -4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.709 20.384 -5.387 1.00 0.00 H new ATOM 411 N LEU A 28 9.000 23.641 -2.540 1.00 0.00 N ATOM 412 CA LEU A 28 7.928 23.625 -1.579 1.00 0.00 C ATOM 413 C LEU A 28 6.949 24.732 -1.852 1.00 0.00 C ATOM 414 O LEU A 28 5.761 24.489 -1.885 1.00 0.00 O ATOM 415 CB LEU A 28 8.457 23.699 -0.153 1.00 0.00 C ATOM 416 CG LEU A 28 9.236 22.480 0.302 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.854 22.711 1.654 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.318 21.280 0.348 1.00 0.00 C ATOM 0 H LEU A 28 9.924 23.796 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 28 7.403 22.676 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.098 24.576 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.616 23.848 0.524 1.00 0.00 H new ATOM 0 HG LEU A 28 10.040 22.295 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.407 21.822 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.534 23.562 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.070 22.917 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.879 20.405 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.504 21.471 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.908 21.097 -0.645 1.00 0.00 H new ATOM 430 N THR A 29 7.465 25.918 -2.107 1.00 0.00 N ATOM 431 CA THR A 29 6.658 27.093 -2.398 1.00 0.00 C ATOM 432 C THR A 29 5.711 26.853 -3.601 1.00 0.00 C ATOM 433 O THR A 29 4.543 27.245 -3.571 1.00 0.00 O ATOM 434 CB THR A 29 7.581 28.328 -2.654 1.00 0.00 C ATOM 435 OG1 THR A 29 8.362 28.597 -1.470 1.00 0.00 O ATOM 436 CG2 THR A 29 6.789 29.582 -3.028 1.00 0.00 C ATOM 0 H THR A 29 8.469 26.098 -2.119 1.00 0.00 H new ATOM 0 HA THR A 29 6.031 27.295 -1.530 1.00 0.00 H new ATOM 0 HB THR A 29 8.227 28.082 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.981 27.854 -1.310 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.477 30.411 -3.195 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.219 29.394 -3.938 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.106 29.836 -2.218 1.00 0.00 H new ATOM 444 N VAL A 30 6.205 26.201 -4.642 1.00 0.00 N ATOM 445 CA VAL A 30 5.373 25.941 -5.803 1.00 0.00 C ATOM 446 C VAL A 30 4.436 24.717 -5.639 1.00 0.00 C ATOM 447 O VAL A 30 3.288 24.755 -6.080 1.00 0.00 O ATOM 448 CB VAL A 30 6.172 25.892 -7.141 1.00 0.00 C ATOM 449 CG1 VAL A 30 6.909 27.193 -7.358 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.142 24.730 -7.199 1.00 0.00 C ATOM 0 H VAL A 30 7.160 25.848 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 30 4.720 26.812 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 30 5.445 25.744 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.463 27.145 -8.296 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.193 28.014 -7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.603 27.360 -6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.671 24.745 -8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.861 24.815 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.593 23.793 -7.103 1.00 0.00 H new ATOM 460 N PHE A 31 4.915 23.662 -4.979 1.00 0.00 N ATOM 461 CA PHE A 31 4.134 22.419 -4.805 1.00 0.00 C ATOM 462 C PHE A 31 3.079 22.499 -3.704 1.00 0.00 C ATOM 463 O PHE A 31 2.202 21.644 -3.627 1.00 0.00 O ATOM 464 CB PHE A 31 5.046 21.189 -4.576 1.00 0.00 C ATOM 465 CG PHE A 31 5.653 20.611 -5.835 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.634 21.287 -6.526 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.225 19.382 -6.325 1.00 0.00 C ATOM 468 CE1 PHE A 31 7.178 20.770 -7.683 1.00 0.00 C ATOM 469 CE2 PHE A 31 5.770 18.859 -7.478 1.00 0.00 C ATOM 470 CZ PHE A 31 6.745 19.554 -8.159 1.00 0.00 C ATOM 0 H PHE A 31 5.841 23.635 -4.552 1.00 0.00 H new ATOM 0 HA PHE A 31 3.599 22.295 -5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.851 21.471 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.467 20.412 -4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.984 22.239 -6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.459 18.833 -5.798 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.942 21.318 -8.214 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.432 17.902 -7.848 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.169 19.145 -9.065 1.00 0.00 H new ATOM 480 N SER A 32 3.149 23.496 -2.864 1.00 0.00 N ATOM 481 CA SER A 32 2.196 23.609 -1.771 1.00 0.00 C ATOM 482 C SER A 32 0.949 24.404 -2.145 1.00 0.00 C ATOM 483 O SER A 32 -0.012 24.459 -1.378 1.00 0.00 O ATOM 484 CB SER A 32 2.861 24.169 -0.538 1.00 0.00 C ATOM 485 OG SER A 32 3.563 25.336 -0.855 1.00 0.00 O ATOM 0 H SER A 32 3.846 24.240 -2.906 1.00 0.00 H new ATOM 0 HA SER A 32 1.851 22.599 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.111 24.383 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.542 23.430 -0.116 1.00 0.00 H new ATOM 0 HG SER A 32 4.451 25.101 -1.198 1.00 0.00 H new ATOM 491 N GLU A 33 0.976 25.022 -3.312 1.00 0.00 N ATOM 492 CA GLU A 33 -0.138 25.828 -3.799 1.00 0.00 C ATOM 493 C GLU A 33 -1.410 24.982 -3.914 1.00 0.00 C ATOM 494 O GLU A 33 -2.476 25.378 -3.463 1.00 0.00 O ATOM 495 CB GLU A 33 0.265 26.471 -5.150 1.00 0.00 C ATOM 496 CG GLU A 33 -0.742 27.443 -5.793 1.00 0.00 C ATOM 497 CD GLU A 33 -1.893 26.776 -6.504 1.00 0.00 C ATOM 498 OE1 GLU A 33 -1.661 26.169 -7.539 1.00 0.00 O ATOM 499 OE2 GLU A 33 -3.045 26.913 -6.073 1.00 0.00 O1- ATOM 0 H GLU A 33 1.769 24.982 -3.952 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.362 26.625 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.204 27.005 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.462 25.669 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.141 28.097 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.212 28.077 -6.503 1.00 0.00 H new ATOM 506 N TYR A 34 -1.270 23.806 -4.453 1.00 0.00 N ATOM 507 CA TYR A 34 -2.409 22.946 -4.701 1.00 0.00 C ATOM 508 C TYR A 34 -2.314 21.675 -3.882 1.00 0.00 C ATOM 509 O TYR A 34 -2.991 20.696 -4.174 1.00 0.00 O ATOM 510 CB TYR A 34 -2.510 22.620 -6.210 1.00 0.00 C ATOM 511 CG TYR A 34 -1.350 21.804 -6.769 1.00 0.00 C ATOM 512 CD1 TYR A 34 -0.079 22.347 -6.893 1.00 0.00 C ATOM 513 CD2 TYR A 34 -1.531 20.483 -7.154 1.00 0.00 C ATOM 514 CE1 TYR A 34 0.955 21.610 -7.378 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.485 19.737 -7.646 1.00 0.00 C ATOM 516 CZ TYR A 34 0.755 20.311 -7.754 1.00 0.00 C ATOM 517 OH TYR A 34 1.804 19.585 -8.232 1.00 0.00 O ATOM 0 H TYR A 34 -0.373 23.411 -4.734 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.314 23.472 -4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.437 22.075 -6.388 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.578 23.555 -6.765 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.091 23.372 -6.599 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.509 20.033 -7.066 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.937 22.052 -7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.639 18.710 -7.944 1.00 0.00 H new ATOM 0 HH TYR A 34 2.354 19.273 -7.483 1.00 0.00 H new ATOM 527 N GLY A 35 -1.499 21.688 -2.847 1.00 0.00 N ATOM 528 CA GLY A 35 -1.377 20.509 -2.054 1.00 0.00 C ATOM 529 C GLY A 35 -0.421 20.632 -0.918 1.00 0.00 C ATOM 530 O GLY A 35 0.151 21.688 -0.682 1.00 0.00 O ATOM 0 H GLY A 35 -0.932 22.482 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.359 20.246 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.059 19.686 -2.694 1.00 0.00 H new ATOM 534 N VAL A 36 -0.250 19.550 -0.211 1.00 0.00 N ATOM 535 CA VAL A 36 0.623 19.516 0.929 1.00 0.00 C ATOM 536 C VAL A 36 1.829 18.639 0.615 1.00 0.00 C ATOM 537 O VAL A 36 1.680 17.431 0.378 1.00 0.00 O ATOM 538 CB VAL A 36 -0.098 18.959 2.190 1.00 0.00 C ATOM 539 CG1 VAL A 36 0.810 19.013 3.411 1.00 0.00 C ATOM 540 CG2 VAL A 36 -1.387 19.715 2.462 1.00 0.00 C ATOM 0 H VAL A 36 -0.714 18.664 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 36 0.937 20.538 1.141 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.345 17.916 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.279 18.617 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.702 18.414 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.099 20.046 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.870 19.304 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.163 20.769 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.055 19.615 1.606 1.00 0.00 H new ATOM 550 N PRO A 37 3.021 19.233 0.551 1.00 0.00 N ATOM 551 CA PRO A 37 4.239 18.489 0.334 1.00 0.00 C ATOM 552 C PRO A 37 4.663 17.794 1.626 1.00 0.00 C ATOM 553 O PRO A 37 5.134 18.423 2.573 1.00 0.00 O ATOM 554 CB PRO A 37 5.245 19.549 -0.102 1.00 0.00 C ATOM 555 CG PRO A 37 4.745 20.834 0.475 1.00 0.00 C ATOM 556 CD PRO A 37 3.267 20.678 0.704 1.00 0.00 C ATOM 0 HA PRO A 37 4.141 17.698 -0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.245 19.316 0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.310 19.605 -1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.257 21.060 1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.943 21.663 -0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.980 21.027 1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.690 21.257 -0.017 1.00 0.00 H new ATOM 564 N VAL A 38 4.449 16.513 1.656 1.00 0.00 N ATOM 565 CA VAL A 38 4.647 15.711 2.840 1.00 0.00 C ATOM 566 C VAL A 38 6.098 15.286 3.009 1.00 0.00 C ATOM 567 O VAL A 38 6.627 15.238 4.134 1.00 0.00 O ATOM 568 CB VAL A 38 3.668 14.515 2.803 1.00 0.00 C ATOM 569 CG1 VAL A 38 3.940 13.481 3.867 1.00 0.00 C ATOM 570 CG2 VAL A 38 2.262 15.041 2.951 1.00 0.00 C ATOM 0 H VAL A 38 4.126 15.981 0.848 1.00 0.00 H new ATOM 0 HA VAL A 38 4.426 16.310 3.723 1.00 0.00 H new ATOM 0 HB VAL A 38 3.805 14.010 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.215 12.671 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.946 13.082 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.855 13.941 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.558 14.209 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.169 15.568 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.042 15.726 2.133 1.00 0.00 H new ATOM 580 N ASP A 39 6.729 14.969 1.924 1.00 0.00 N ATOM 581 CA ASP A 39 8.138 14.652 1.940 1.00 0.00 C ATOM 582 C ASP A 39 8.754 15.212 0.685 1.00 0.00 C ATOM 583 O ASP A 39 8.115 15.197 -0.363 1.00 0.00 O ATOM 584 CB ASP A 39 8.353 13.135 2.042 1.00 0.00 C ATOM 585 CG ASP A 39 9.807 12.743 2.176 1.00 0.00 C ATOM 586 OD1 ASP A 39 10.511 13.315 3.052 1.00 0.00 O ATOM 587 OD2 ASP A 39 10.248 11.802 1.477 1.00 0.00 O1- ATOM 0 H ASP A 39 6.294 14.920 1.003 1.00 0.00 H new ATOM 0 HA ASP A 39 8.616 15.097 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.801 12.754 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.935 12.656 1.157 1.00 0.00 H new ATOM 592 N VAL A 40 9.931 15.762 0.786 1.00 0.00 N ATOM 593 CA VAL A 40 10.607 16.323 -0.359 1.00 0.00 C ATOM 594 C VAL A 40 12.086 16.220 -0.130 1.00 0.00 C ATOM 595 O VAL A 40 12.546 16.269 1.007 1.00 0.00 O ATOM 596 CB VAL A 40 10.223 17.829 -0.649 1.00 0.00 C ATOM 597 CG1 VAL A 40 10.703 18.762 0.445 1.00 0.00 C ATOM 598 CG2 VAL A 40 10.752 18.297 -2.003 1.00 0.00 C ATOM 0 H VAL A 40 10.451 15.836 1.660 1.00 0.00 H new ATOM 0 HA VAL A 40 10.292 15.755 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 40 9.134 17.866 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.416 19.785 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.250 18.474 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.788 18.699 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.467 19.337 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.839 18.212 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.328 17.677 -2.793 1.00 0.00 H new ATOM 608 N ILE A 41 12.801 16.030 -1.189 1.00 0.00 N ATOM 609 CA ILE A 41 14.230 15.968 -1.172 1.00 0.00 C ATOM 610 C ILE A 41 14.767 16.527 -2.460 1.00 0.00 C ATOM 611 O ILE A 41 14.271 16.202 -3.548 1.00 0.00 O ATOM 612 CB ILE A 41 14.828 14.532 -0.931 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.229 13.431 -1.855 1.00 0.00 C ATOM 614 CG2 ILE A 41 14.729 14.132 0.521 1.00 0.00 C ATOM 615 CD1 ILE A 41 12.833 12.929 -1.478 1.00 0.00 C ATOM 0 H ILE A 41 12.398 15.910 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 41 14.544 16.564 -0.315 1.00 0.00 H new ATOM 0 HB ILE A 41 15.880 14.608 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.192 13.819 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 41 14.910 12.580 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.151 13.136 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.282 14.844 1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.683 14.127 0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.517 12.166 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.858 12.503 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.129 13.761 -1.501 1.00 0.00 H new ATOM 627 N LEU A 42 15.727 17.383 -2.353 1.00 0.00 N ATOM 628 CA LEU A 42 16.344 17.965 -3.501 1.00 0.00 C ATOM 629 C LEU A 42 17.621 17.202 -3.739 1.00 0.00 C ATOM 630 O LEU A 42 18.432 17.038 -2.823 1.00 0.00 O ATOM 631 CB LEU A 42 16.563 19.493 -3.254 1.00 0.00 C ATOM 632 CG LEU A 42 17.140 20.396 -4.387 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.625 20.227 -4.568 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.431 20.148 -5.697 1.00 0.00 C ATOM 0 H LEU A 42 16.109 17.702 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 42 15.726 17.895 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.601 19.915 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.226 19.590 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 42 16.963 21.425 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.970 20.880 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.136 20.488 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.845 19.191 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.855 20.792 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.556 19.105 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.370 20.368 -5.584 1.00 0.00 H new ATOM 646 N SER A 43 17.781 16.680 -4.930 1.00 0.00 N ATOM 647 CA SER A 43 18.945 15.929 -5.249 1.00 0.00 C ATOM 648 C SER A 43 20.085 16.905 -5.416 1.00 0.00 C ATOM 649 O SER A 43 20.165 17.662 -6.401 1.00 0.00 O ATOM 650 CB SER A 43 18.730 15.071 -6.510 1.00 0.00 C ATOM 651 OG SER A 43 19.824 14.194 -6.745 1.00 0.00 O ATOM 0 H SER A 43 17.108 16.769 -5.692 1.00 0.00 H new ATOM 0 HA SER A 43 19.176 15.227 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.815 14.489 -6.402 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.594 15.722 -7.374 1.00 0.00 H new ATOM 0 HG SER A 43 19.652 13.665 -7.552 1.00 0.00 H new ATOM 657 N ARG A 44 20.890 16.961 -4.413 1.00 0.00 N ATOM 658 CA ARG A 44 21.998 17.825 -4.380 1.00 0.00 C ATOM 659 C ARG A 44 23.224 17.033 -4.037 1.00 0.00 C ATOM 660 O ARG A 44 23.119 15.952 -3.438 1.00 0.00 O ATOM 661 CB ARG A 44 21.731 19.019 -3.436 1.00 0.00 C ATOM 662 CG ARG A 44 21.375 18.666 -2.001 1.00 0.00 C ATOM 663 CD ARG A 44 20.716 19.856 -1.282 1.00 0.00 C ATOM 664 NE ARG A 44 21.513 21.095 -1.368 1.00 0.00 N ATOM 665 CZ ARG A 44 21.000 22.343 -1.449 1.00 0.00 C ATOM 666 NH1 ARG A 44 19.694 22.562 -1.255 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 21.821 23.369 -1.653 1.00 0.00 N ATOM 0 H ARG A 44 20.786 16.389 -3.575 1.00 0.00 H new ATOM 0 HA ARG A 44 22.170 18.270 -5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.618 19.653 -3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.919 19.614 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.698 17.812 -1.991 1.00 0.00 H new ATOM 0 HG3 ARG A 44 22.275 18.366 -1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.731 20.034 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 44 20.564 19.601 -0.233 1.00 0.00 H new ATOM 0 HE ARG A 44 22.529 21.003 -1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.072 21.782 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 44 19.321 23.509 -1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 44 22.824 23.209 -1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 44 21.448 24.316 -1.716 1.00 0.00 H new ATOM 681 N ASP A 45 24.351 17.506 -4.505 1.00 0.00 N ATOM 682 CA ASP A 45 25.636 16.835 -4.339 1.00 0.00 C ATOM 683 C ASP A 45 25.944 16.573 -2.878 1.00 0.00 C ATOM 684 O ASP A 45 25.779 17.443 -2.044 1.00 0.00 O ATOM 685 CB ASP A 45 26.750 17.660 -4.952 1.00 0.00 C ATOM 686 CG ASP A 45 28.059 16.928 -4.942 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.259 16.039 -5.781 1.00 0.00 O ATOM 688 OD2 ASP A 45 28.894 17.212 -4.093 1.00 0.00 O1- ATOM 0 H ASP A 45 24.413 18.383 -5.023 1.00 0.00 H new ATOM 0 HA ASP A 45 25.570 15.876 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.487 17.920 -5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.853 18.596 -4.403 1.00 0.00 H new ATOM 693 N GLU A 46 26.421 15.393 -2.596 1.00 0.00 N ATOM 694 CA GLU A 46 26.681 14.957 -1.239 1.00 0.00 C ATOM 695 C GLU A 46 27.992 15.555 -0.687 1.00 0.00 C ATOM 696 O GLU A 46 28.254 15.522 0.518 1.00 0.00 O ATOM 697 CB GLU A 46 26.725 13.426 -1.226 1.00 0.00 C ATOM 698 CG GLU A 46 26.767 12.790 0.148 1.00 0.00 C ATOM 699 CD GLU A 46 26.837 11.288 0.072 1.00 0.00 C ATOM 700 OE1 GLU A 46 25.806 10.622 -0.118 1.00 0.00 O ATOM 701 OE2 GLU A 46 27.954 10.741 0.185 1.00 0.00 O1- ATOM 0 H GLU A 46 26.645 14.694 -3.304 1.00 0.00 H new ATOM 0 HA GLU A 46 25.883 15.312 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 46 25.850 13.050 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.601 13.100 -1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.631 13.166 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 46 25.881 13.084 0.711 1.00 0.00 H new ATOM 708 N ASN A 47 28.789 16.122 -1.557 1.00 0.00 N ATOM 709 CA ASN A 47 30.091 16.625 -1.172 1.00 0.00 C ATOM 710 C ASN A 47 30.057 18.135 -1.004 1.00 0.00 C ATOM 711 O ASN A 47 30.523 18.667 -0.006 1.00 0.00 O ATOM 712 CB ASN A 47 31.142 16.270 -2.238 1.00 0.00 C ATOM 713 CG ASN A 47 31.185 14.796 -2.618 1.00 0.00 C ATOM 714 OD1 ASN A 47 31.903 13.995 -2.015 1.00 0.00 O ATOM 715 ND2 ASN A 47 30.442 14.436 -3.653 1.00 0.00 N ATOM 0 H ASN A 47 28.561 16.249 -2.543 1.00 0.00 H new ATOM 0 HA ASN A 47 30.358 16.160 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 47 30.944 16.857 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.125 16.567 -1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 47 30.452 13.468 -3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 47 29.860 15.126 -4.128 1.00 0.00 H new ATOM 722 N THR A 48 29.514 18.827 -1.982 1.00 0.00 N ATOM 723 CA THR A 48 29.507 20.280 -1.951 1.00 0.00 C ATOM 724 C THR A 48 28.093 20.850 -1.768 1.00 0.00 C ATOM 725 O THR A 48 27.917 22.059 -1.628 1.00 0.00 O ATOM 726 CB THR A 48 30.202 20.882 -3.219 1.00 0.00 C ATOM 727 OG1 THR A 48 30.197 22.315 -3.191 1.00 0.00 O ATOM 728 CG2 THR A 48 29.539 20.403 -4.491 1.00 0.00 C ATOM 0 H THR A 48 29.074 18.414 -2.804 1.00 0.00 H new ATOM 0 HA THR A 48 30.087 20.580 -1.078 1.00 0.00 H new ATOM 0 HB THR A 48 31.235 20.534 -3.205 1.00 0.00 H new ATOM 0 HG1 THR A 48 29.416 22.630 -2.690 1.00 0.00 H new ATOM 0 HG21 THR A 48 30.046 20.839 -5.352 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.600 19.316 -4.546 1.00 0.00 H new ATOM 0 HG23 THR A 48 28.492 20.708 -4.493 1.00 0.00 H new ATOM 736 N GLY A 49 27.097 19.983 -1.772 1.00 0.00 N ATOM 737 CA GLY A 49 25.726 20.418 -1.564 1.00 0.00 C ATOM 738 C GLY A 49 25.177 21.281 -2.688 1.00 0.00 C ATOM 739 O GLY A 49 24.351 22.172 -2.448 1.00 0.00 O ATOM 0 H GLY A 49 27.209 18.979 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.090 19.540 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.670 20.977 -0.630 1.00 0.00 H new ATOM 743 N GLU A 50 25.613 21.035 -3.902 1.00 0.00 N ATOM 744 CA GLU A 50 25.137 21.807 -5.028 1.00 0.00 C ATOM 745 C GLU A 50 23.900 21.149 -5.620 1.00 0.00 C ATOM 746 O GLU A 50 23.821 19.926 -5.672 1.00 0.00 O ATOM 747 CB GLU A 50 26.275 22.071 -6.067 1.00 0.00 C ATOM 748 CG GLU A 50 26.919 20.851 -6.764 1.00 0.00 C ATOM 749 CD GLU A 50 26.090 20.244 -7.883 1.00 0.00 C ATOM 750 OE1 GLU A 50 25.707 20.978 -8.809 1.00 0.00 O1- ATOM 751 OE2 GLU A 50 25.835 19.018 -7.866 1.00 0.00 O ATOM 0 H GLU A 50 26.293 20.311 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 50 24.834 22.797 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.875 22.725 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 50 27.067 22.623 -5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.886 21.150 -7.169 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.111 20.082 -6.015 1.00 0.00 H new ATOM 758 N SER A 51 22.916 21.948 -5.960 1.00 0.00 N ATOM 759 CA SER A 51 21.675 21.463 -6.528 1.00 0.00 C ATOM 760 C SER A 51 21.943 20.829 -7.890 1.00 0.00 C ATOM 761 O SER A 51 22.527 21.447 -8.736 1.00 0.00 O ATOM 762 CB SER A 51 20.730 22.645 -6.685 1.00 0.00 C ATOM 763 OG SER A 51 20.654 23.386 -5.475 1.00 0.00 O ATOM 0 H SER A 51 22.952 22.961 -5.850 1.00 0.00 H new ATOM 0 HA SER A 51 21.231 20.711 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.076 23.290 -7.492 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.738 22.290 -6.964 1.00 0.00 H new ATOM 0 HG SER A 51 20.044 24.144 -5.593 1.00 0.00 H new ATOM 769 N GLN A 52 21.513 19.607 -8.086 1.00 0.00 N ATOM 770 CA GLN A 52 21.765 18.910 -9.351 1.00 0.00 C ATOM 771 C GLN A 52 20.685 19.209 -10.372 1.00 0.00 C ATOM 772 O GLN A 52 20.797 18.824 -11.546 1.00 0.00 O ATOM 773 CB GLN A 52 21.839 17.411 -9.139 1.00 0.00 C ATOM 774 CG GLN A 52 22.896 16.974 -8.153 1.00 0.00 C ATOM 775 CD GLN A 52 22.891 15.490 -7.952 1.00 0.00 C ATOM 776 OE1 GLN A 52 22.579 14.720 -8.865 1.00 0.00 O ATOM 777 NE2 GLN A 52 23.205 15.072 -6.767 1.00 0.00 N ATOM 0 H GLN A 52 20.989 19.066 -7.399 1.00 0.00 H new ATOM 0 HA GLN A 52 22.721 19.272 -9.728 1.00 0.00 H new ATOM 0 HB2 GLN A 52 20.868 17.056 -8.794 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.032 16.929 -10.098 1.00 0.00 H new ATOM 0 HG2 GLN A 52 23.877 17.289 -8.509 1.00 0.00 H new ATOM 0 HG3 GLN A 52 22.729 17.471 -7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 52 23.457 15.742 -6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 52 23.200 14.073 -6.561 1.00 0.00 H new ATOM 786 N GLY A 53 19.651 19.885 -9.935 1.00 0.00 N ATOM 787 CA GLY A 53 18.554 20.200 -10.816 1.00 0.00 C ATOM 788 C GLY A 53 17.515 19.089 -10.882 1.00 0.00 C ATOM 789 O GLY A 53 16.768 18.985 -11.863 1.00 0.00 O ATOM 0 H GLY A 53 19.546 20.226 -8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.076 21.120 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 53 18.941 20.390 -11.817 1.00 0.00 H new ATOM 793 N PHE A 54 17.476 18.258 -9.850 1.00 0.00 N ATOM 794 CA PHE A 54 16.505 17.175 -9.744 1.00 0.00 C ATOM 795 C PHE A 54 15.964 17.149 -8.344 1.00 0.00 C ATOM 796 O PHE A 54 16.699 17.423 -7.396 1.00 0.00 O ATOM 797 CB PHE A 54 17.128 15.804 -10.051 1.00 0.00 C ATOM 798 CG PHE A 54 17.674 15.659 -11.430 1.00 0.00 C ATOM 799 CD1 PHE A 54 16.821 15.540 -12.510 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.037 15.644 -11.650 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.318 15.409 -13.783 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.539 15.512 -12.919 1.00 0.00 C ATOM 803 CZ PHE A 54 18.679 15.394 -13.990 1.00 0.00 C ATOM 0 H PHE A 54 18.118 18.315 -9.060 1.00 0.00 H new ATOM 0 HA PHE A 54 15.718 17.360 -10.475 1.00 0.00 H new ATOM 0 HB2 PHE A 54 17.930 15.617 -9.337 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.373 15.034 -9.892 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.753 15.550 -12.351 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.714 15.737 -10.814 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.642 15.318 -14.621 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.607 15.500 -13.079 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.073 15.290 -14.990 1.00 0.00 H new ATOM 813 N ALA A 55 14.719 16.831 -8.203 1.00 0.00 N ATOM 814 CA ALA A 55 14.091 16.759 -6.911 1.00 0.00 C ATOM 815 C ALA A 55 13.112 15.616 -6.889 1.00 0.00 C ATOM 816 O ALA A 55 12.724 15.105 -7.939 1.00 0.00 O ATOM 817 CB ALA A 55 13.385 18.064 -6.587 1.00 0.00 C ATOM 0 H ALA A 55 14.099 16.611 -8.982 1.00 0.00 H new ATOM 0 HA ALA A 55 14.857 16.590 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 55 12.916 17.990 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.110 18.878 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.622 18.262 -7.340 1.00 0.00 H new ATOM 823 N TYR A 56 12.747 15.192 -5.717 1.00 0.00 N ATOM 824 CA TYR A 56 11.783 14.138 -5.544 1.00 0.00 C ATOM 825 C TYR A 56 10.851 14.591 -4.444 1.00 0.00 C ATOM 826 O TYR A 56 11.306 15.221 -3.484 1.00 0.00 O ATOM 827 CB TYR A 56 12.477 12.824 -5.128 1.00 0.00 C ATOM 828 CG TYR A 56 13.673 12.437 -5.983 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.508 11.900 -7.247 1.00 0.00 C ATOM 830 CD2 TYR A 56 14.971 12.624 -5.517 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.598 11.555 -8.024 1.00 0.00 C ATOM 832 CE2 TYR A 56 16.062 12.283 -6.284 1.00 0.00 C ATOM 833 CZ TYR A 56 15.872 11.749 -7.533 1.00 0.00 C ATOM 834 OH TYR A 56 16.963 11.403 -8.297 1.00 0.00 O ATOM 0 H TYR A 56 13.112 15.569 -4.842 1.00 0.00 H new ATOM 0 HA TYR A 56 11.249 13.946 -6.475 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.803 12.914 -4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.746 12.016 -5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.511 11.748 -7.633 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.125 13.045 -4.534 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.453 11.136 -9.009 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.062 12.435 -5.905 1.00 0.00 H new ATOM 0 HH TYR A 56 17.785 11.606 -7.804 1.00 0.00 H new ATOM 844 N LEU A 57 9.577 14.336 -4.575 1.00 0.00 N ATOM 845 CA LEU A 57 8.632 14.784 -3.571 1.00 0.00 C ATOM 846 C LEU A 57 7.513 13.751 -3.422 1.00 0.00 C ATOM 847 O LEU A 57 7.302 12.939 -4.304 1.00 0.00 O ATOM 848 CB LEU A 57 8.117 16.200 -3.987 1.00 0.00 C ATOM 849 CG LEU A 57 7.304 17.041 -2.975 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.404 18.506 -3.344 1.00 0.00 C ATOM 851 CD2 LEU A 57 5.845 16.654 -2.979 1.00 0.00 C ATOM 0 H LEU A 57 9.166 13.826 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 57 9.098 14.873 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.985 16.791 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.501 16.075 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 57 7.717 16.857 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.832 19.100 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.448 18.817 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.004 18.657 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.304 17.265 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.429 16.815 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.747 15.602 -2.710 1.00 0.00 H new ATOM 863 N LYS A 58 6.863 13.750 -2.296 1.00 0.00 N ATOM 864 CA LYS A 58 5.748 12.884 -2.031 1.00 0.00 C ATOM 865 C LYS A 58 4.639 13.676 -1.348 1.00 0.00 C ATOM 866 O LYS A 58 4.883 14.368 -0.342 1.00 0.00 O ATOM 867 CB LYS A 58 6.174 11.720 -1.129 1.00 0.00 C ATOM 868 CG LYS A 58 5.015 10.854 -0.663 1.00 0.00 C ATOM 869 CD LYS A 58 5.451 9.835 0.361 1.00 0.00 C ATOM 870 CE LYS A 58 4.248 9.155 0.983 1.00 0.00 C ATOM 871 NZ LYS A 58 4.633 8.126 1.972 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.097 14.365 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 58 5.386 12.481 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.888 11.097 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.692 12.118 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.237 11.487 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.576 10.343 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.093 9.091 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.042 10.321 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.620 9.903 1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.648 8.695 0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.777 7.689 2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.210 7.396 1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.183 8.568 2.736 1.00 0.00 H new ATOM 885 N TYR A 59 3.463 13.636 -1.921 1.00 0.00 N ATOM 886 CA TYR A 59 2.294 14.237 -1.312 1.00 0.00 C ATOM 887 C TYR A 59 1.651 13.327 -0.266 1.00 0.00 C ATOM 888 O TYR A 59 2.086 12.200 -0.031 1.00 0.00 O ATOM 889 CB TYR A 59 1.252 14.630 -2.362 1.00 0.00 C ATOM 890 CG TYR A 59 1.559 15.891 -3.118 1.00 0.00 C ATOM 891 CD1 TYR A 59 2.414 15.898 -4.204 1.00 0.00 C ATOM 892 CD2 TYR A 59 0.967 17.085 -2.746 1.00 0.00 C ATOM 893 CE1 TYR A 59 2.668 17.065 -4.892 1.00 0.00 C ATOM 894 CE2 TYR A 59 1.218 18.248 -3.426 1.00 0.00 C ATOM 895 CZ TYR A 59 2.065 18.237 -4.495 1.00 0.00 C ATOM 896 OH TYR A 59 2.300 19.400 -5.179 1.00 0.00 O ATOM 0 H TYR A 59 3.284 13.188 -2.820 1.00 0.00 H new ATOM 0 HA TYR A 59 2.646 15.137 -0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.150 13.812 -3.075 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.287 14.745 -1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.888 14.979 -4.517 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.293 17.101 -1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.338 17.060 -5.739 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.747 19.169 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 59 2.201 20.163 -4.571 1.00 0.00 H new ATOM 906 N GLU A 60 0.610 13.864 0.348 1.00 0.00 N ATOM 907 CA GLU A 60 -0.184 13.210 1.386 1.00 0.00 C ATOM 908 C GLU A 60 -0.951 11.992 0.850 1.00 0.00 C ATOM 909 O GLU A 60 -1.377 11.116 1.620 1.00 0.00 O ATOM 910 CB GLU A 60 -1.139 14.259 1.983 1.00 0.00 C ATOM 911 CG GLU A 60 -2.012 13.775 3.118 1.00 0.00 C ATOM 912 CD GLU A 60 -2.887 14.870 3.671 1.00 0.00 C ATOM 913 OE1 GLU A 60 -3.838 15.283 2.990 1.00 0.00 O ATOM 914 OE2 GLU A 60 -2.654 15.314 4.813 1.00 0.00 O1- ATOM 0 H GLU A 60 0.278 14.804 0.132 1.00 0.00 H new ATOM 0 HA GLU A 60 0.480 12.823 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.547 15.103 2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.783 14.633 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.638 12.954 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.382 13.378 3.915 1.00 0.00 H new ATOM 921 N ASP A 61 -1.124 11.931 -0.444 1.00 0.00 N ATOM 922 CA ASP A 61 -1.820 10.820 -1.049 1.00 0.00 C ATOM 923 C ASP A 61 -1.288 10.542 -2.440 1.00 0.00 C ATOM 924 O ASP A 61 -0.917 11.470 -3.170 1.00 0.00 O ATOM 925 CB ASP A 61 -3.338 11.060 -1.093 1.00 0.00 C ATOM 926 CG ASP A 61 -4.092 9.910 -1.731 1.00 0.00 C ATOM 927 OD1 ASP A 61 -4.269 8.857 -1.081 1.00 0.00 O ATOM 928 OD2 ASP A 61 -4.507 10.031 -2.893 1.00 0.00 O1- ATOM 0 H ASP A 61 -0.793 12.637 -1.102 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.638 9.944 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.707 11.214 -0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.541 11.976 -1.648 1.00 0.00 H new ATOM 933 N GLN A 62 -1.256 9.268 -2.783 1.00 0.00 N ATOM 934 CA GLN A 62 -0.826 8.740 -4.080 1.00 0.00 C ATOM 935 C GLN A 62 -1.522 9.458 -5.254 1.00 0.00 C ATOM 936 O GLN A 62 -0.908 9.719 -6.278 1.00 0.00 O ATOM 937 CB GLN A 62 -1.204 7.269 -4.123 1.00 0.00 C ATOM 938 CG GLN A 62 -0.922 6.535 -5.424 1.00 0.00 C ATOM 939 CD GLN A 62 -1.761 5.275 -5.517 1.00 0.00 C ATOM 940 OE1 GLN A 62 -2.864 5.219 -4.970 1.00 0.00 O ATOM 941 NE2 GLN A 62 -1.274 4.264 -6.183 1.00 0.00 N ATOM 0 H GLN A 62 -1.542 8.531 -2.138 1.00 0.00 H new ATOM 0 HA GLN A 62 0.248 8.894 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.674 6.757 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.269 7.184 -3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.139 7.187 -6.270 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.136 6.279 -5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.358 4.339 -6.626 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.809 3.399 -6.261 1.00 0.00 H new ATOM 950 N ARG A 63 -2.786 9.798 -5.100 1.00 0.00 N ATOM 951 CA ARG A 63 -3.514 10.411 -6.192 1.00 0.00 C ATOM 952 C ARG A 63 -3.189 11.888 -6.296 1.00 0.00 C ATOM 953 O ARG A 63 -3.277 12.477 -7.364 1.00 0.00 O ATOM 954 CB ARG A 63 -4.999 10.181 -6.049 1.00 0.00 C ATOM 955 CG ARG A 63 -5.383 8.715 -5.972 1.00 0.00 C ATOM 956 CD ARG A 63 -6.867 8.573 -5.778 1.00 0.00 C ATOM 957 NE ARG A 63 -7.327 9.286 -4.580 1.00 0.00 N ATOM 958 CZ ARG A 63 -8.379 10.120 -4.551 1.00 0.00 C ATOM 959 NH1 ARG A 63 -9.076 10.354 -5.658 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -8.727 10.725 -3.420 1.00 0.00 N ATOM 0 H ARG A 63 -3.323 9.663 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.196 9.936 -7.120 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.352 10.688 -5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.512 10.638 -6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.078 8.204 -6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.854 8.237 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.388 8.960 -6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.124 7.517 -5.695 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.813 9.138 -3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.812 9.900 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.875 10.988 -5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.194 10.557 -2.567 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.527 11.357 -3.405 1.00 0.00 H new ATOM 974 N SER A 64 -2.738 12.461 -5.202 1.00 0.00 N ATOM 975 CA SER A 64 -2.334 13.850 -5.182 1.00 0.00 C ATOM 976 C SER A 64 -0.946 13.907 -5.822 1.00 0.00 C ATOM 977 O SER A 64 -0.556 14.887 -6.452 1.00 0.00 O ATOM 978 CB SER A 64 -2.330 14.384 -3.733 1.00 0.00 C ATOM 979 OG SER A 64 -2.021 15.769 -3.667 1.00 0.00 O ATOM 0 H SER A 64 -2.641 11.982 -4.307 1.00 0.00 H new ATOM 0 HA SER A 64 -3.026 14.483 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.307 14.211 -3.282 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.603 13.824 -3.144 1.00 0.00 H new ATOM 0 HG SER A 64 -1.088 15.883 -3.388 1.00 0.00 H new ATOM 985 N THR A 65 -0.240 12.813 -5.665 1.00 0.00 N ATOM 986 CA THR A 65 0.997 12.559 -6.318 1.00 0.00 C ATOM 987 C THR A 65 0.770 12.492 -7.860 1.00 0.00 C ATOM 988 O THR A 65 1.485 13.136 -8.619 1.00 0.00 O ATOM 989 CB THR A 65 1.595 11.250 -5.713 1.00 0.00 C ATOM 990 OG1 THR A 65 2.373 11.518 -4.532 1.00 0.00 O ATOM 991 CG2 THR A 65 2.344 10.388 -6.697 1.00 0.00 C ATOM 0 H THR A 65 -0.534 12.053 -5.052 1.00 0.00 H new ATOM 0 HA THR A 65 1.718 13.360 -6.157 1.00 0.00 H new ATOM 0 HB THR A 65 0.731 10.652 -5.423 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.145 10.916 -4.505 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.724 9.502 -6.189 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.673 10.086 -7.501 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.178 10.952 -7.114 1.00 0.00 H new ATOM 999 N ILE A 66 -0.275 11.764 -8.290 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.649 11.680 -9.720 1.00 0.00 C ATOM 1001 C ILE A 66 -1.050 13.078 -10.229 1.00 0.00 C ATOM 1002 O ILE A 66 -0.671 13.502 -11.348 1.00 0.00 O ATOM 1003 CB ILE A 66 -1.837 10.690 -9.928 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.467 9.299 -9.391 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.223 10.605 -11.409 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -2.600 8.294 -9.416 1.00 0.00 C ATOM 0 H ILE A 66 -0.878 11.223 -7.670 1.00 0.00 H new ATOM 0 HA ILE A 66 0.210 11.312 -10.281 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.698 11.064 -9.374 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.637 8.906 -9.978 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.112 9.402 -8.366 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.053 9.909 -11.529 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.522 11.591 -11.764 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.369 10.254 -11.988 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.250 7.341 -9.020 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.425 8.660 -8.805 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.942 8.157 -10.442 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.800 13.783 -9.384 1.00 0.00 N ATOM 1019 CA LEU A 67 -2.216 15.156 -9.624 1.00 0.00 C ATOM 1020 C LEU A 67 -0.998 16.005 -9.957 1.00 0.00 C ATOM 1021 O LEU A 67 -0.965 16.659 -10.978 1.00 0.00 O ATOM 1022 CB LEU A 67 -2.924 15.706 -8.370 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.375 17.172 -8.391 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.431 17.408 -9.444 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -3.890 17.582 -7.023 1.00 0.00 C ATOM 0 H LEU A 67 -2.139 13.406 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.910 15.188 -10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.802 15.088 -8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.253 15.574 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.511 17.786 -8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.729 18.457 -9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.029 17.156 -10.425 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.299 16.782 -9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.207 18.625 -7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.737 16.952 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.097 17.464 -6.285 1.00 0.00 H new ATOM 1037 N ALA A 68 0.018 15.924 -9.112 1.00 0.00 N ATOM 1038 CA ALA A 68 1.261 16.661 -9.296 1.00 0.00 C ATOM 1039 C ALA A 68 1.923 16.316 -10.621 1.00 0.00 C ATOM 1040 O ALA A 68 2.340 17.221 -11.370 1.00 0.00 O ATOM 1041 CB ALA A 68 2.208 16.363 -8.160 1.00 0.00 C ATOM 0 H ALA A 68 0.004 15.342 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 68 1.021 17.724 -9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.135 16.918 -8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.750 16.661 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.424 15.295 -8.137 1.00 0.00 H new ATOM 1047 N VAL A 69 1.965 15.013 -10.920 1.00 0.00 N ATOM 1048 CA VAL A 69 2.579 14.468 -12.136 1.00 0.00 C ATOM 1049 C VAL A 69 2.048 15.123 -13.403 1.00 0.00 C ATOM 1050 O VAL A 69 2.806 15.378 -14.337 1.00 0.00 O ATOM 1051 CB VAL A 69 2.423 12.908 -12.224 1.00 0.00 C ATOM 1052 CG1 VAL A 69 2.938 12.355 -13.551 1.00 0.00 C ATOM 1053 CG2 VAL A 69 3.163 12.241 -11.085 1.00 0.00 C ATOM 0 H VAL A 69 1.567 14.296 -10.314 1.00 0.00 H new ATOM 0 HA VAL A 69 3.641 14.703 -12.063 1.00 0.00 H new ATOM 0 HB VAL A 69 1.358 12.689 -12.155 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.810 11.273 -13.568 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.377 12.800 -14.373 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.995 12.598 -13.661 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.046 11.160 -11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.221 12.496 -11.140 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.755 12.586 -10.135 1.00 0.00 H new ATOM 1063 N ASP A 70 0.769 15.401 -13.453 1.00 0.00 N ATOM 1064 CA ASP A 70 0.239 16.022 -14.668 1.00 0.00 C ATOM 1065 C ASP A 70 -0.007 17.534 -14.490 1.00 0.00 C ATOM 1066 O ASP A 70 -0.112 18.280 -15.472 1.00 0.00 O ATOM 1067 CB ASP A 70 -1.043 15.316 -15.132 1.00 0.00 C ATOM 1068 CG ASP A 70 -1.403 15.624 -16.582 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -0.956 14.869 -17.482 1.00 0.00 O ATOM 1070 OD2 ASP A 70 -2.153 16.586 -16.855 1.00 0.00 O1- ATOM 0 H ASP A 70 0.092 15.223 -12.711 1.00 0.00 H new ATOM 0 HA ASP A 70 0.999 15.906 -15.441 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.921 14.239 -15.015 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.869 15.615 -14.487 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.025 18.004 -13.251 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.389 19.403 -12.976 1.00 0.00 C ATOM 1077 C ASN A 71 0.770 20.357 -13.135 1.00 0.00 C ATOM 1078 O ASN A 71 0.718 21.250 -13.970 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.052 19.581 -11.599 1.00 0.00 C ATOM 1080 CG ASN A 71 -1.423 21.028 -11.289 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -2.489 21.499 -11.667 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -0.573 21.728 -10.578 1.00 0.00 N ATOM 0 H ASN A 71 0.204 17.452 -12.424 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.126 19.659 -13.737 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.950 18.965 -11.554 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.375 19.214 -10.828 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.792 22.692 -10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.307 21.309 -10.277 1.00 0.00 H new ATOM 1089 N LEU A 72 1.828 20.177 -12.367 1.00 0.00 N ATOM 1090 CA LEU A 72 2.948 21.107 -12.470 1.00 0.00 C ATOM 1091 C LEU A 72 3.892 20.728 -13.566 1.00 0.00 C ATOM 1092 O LEU A 72 4.849 21.433 -13.836 1.00 0.00 O ATOM 1093 CB LEU A 72 3.705 21.318 -11.149 1.00 0.00 C ATOM 1094 CG LEU A 72 3.021 22.165 -10.084 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.976 22.406 -8.928 1.00 0.00 C ATOM 1096 CD2 LEU A 72 2.546 23.489 -10.658 1.00 0.00 C ATOM 0 H LEU A 72 1.940 19.425 -11.687 1.00 0.00 H new ATOM 0 HA LEU A 72 2.494 22.066 -12.721 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.914 20.338 -10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.666 21.777 -11.380 1.00 0.00 H new ATOM 0 HG LEU A 72 2.147 21.623 -9.723 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.482 23.012 -8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.271 21.450 -8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.861 22.928 -9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.062 24.072 -9.875 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.399 24.043 -11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.836 23.302 -11.463 1.00 0.00 H new ATOM 1108 N ASN A 73 3.626 19.621 -14.197 1.00 0.00 N ATOM 1109 CA ASN A 73 4.448 19.164 -15.288 1.00 0.00 C ATOM 1110 C ASN A 73 4.322 20.115 -16.440 1.00 0.00 C ATOM 1111 O ASN A 73 3.232 20.290 -17.000 1.00 0.00 O ATOM 1112 CB ASN A 73 4.056 17.764 -15.705 1.00 0.00 C ATOM 1113 CG ASN A 73 4.913 17.221 -16.824 1.00 0.00 C ATOM 1114 OD1 ASN A 73 5.961 16.651 -16.571 1.00 0.00 O ATOM 1115 ND2 ASN A 73 4.462 17.349 -18.050 1.00 0.00 N ATOM 0 H ASN A 73 2.840 19.011 -13.975 1.00 0.00 H new ATOM 0 HA ASN A 73 5.488 19.134 -14.962 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.129 17.100 -14.844 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.013 17.763 -16.020 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.993 16.965 -18.831 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.581 17.833 -18.221 1.00 0.00 H new ATOM 1122 N GLY A 74 5.404 20.761 -16.754 1.00 0.00 N ATOM 1123 CA GLY A 74 5.390 21.716 -17.802 1.00 0.00 C ATOM 1124 C GLY A 74 5.257 23.123 -17.268 1.00 0.00 C ATOM 1125 O GLY A 74 5.017 24.064 -18.031 1.00 0.00 O ATOM 0 H GLY A 74 6.306 20.639 -16.294 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.308 21.632 -18.384 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.562 21.503 -18.479 1.00 0.00 H new ATOM 1129 N PHE A 75 5.377 23.285 -15.959 1.00 0.00 N ATOM 1130 CA PHE A 75 5.326 24.606 -15.386 1.00 0.00 C ATOM 1131 C PHE A 75 6.684 25.248 -15.587 1.00 0.00 C ATOM 1132 O PHE A 75 7.723 24.694 -15.186 1.00 0.00 O ATOM 1133 CB PHE A 75 4.917 24.583 -13.900 1.00 0.00 C ATOM 1134 CG PHE A 75 4.497 25.933 -13.358 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.242 26.448 -13.657 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.341 26.679 -12.552 1.00 0.00 C ATOM 1137 CE1 PHE A 75 2.842 27.678 -13.166 1.00 0.00 C ATOM 1138 CE2 PHE A 75 4.943 27.912 -12.058 1.00 0.00 C ATOM 1139 CZ PHE A 75 3.694 28.408 -12.368 1.00 0.00 C ATOM 0 H PHE A 75 5.508 22.527 -15.289 1.00 0.00 H new ATOM 0 HA PHE A 75 4.556 25.193 -15.887 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.095 23.879 -13.770 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.753 24.209 -13.309 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.569 25.880 -14.282 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.320 26.296 -12.305 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.863 28.065 -13.408 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.611 28.484 -11.431 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.384 29.369 -11.985 1.00 0.00 H new ATOM 1149 N LYS A 76 6.674 26.361 -16.252 1.00 0.00 N ATOM 1150 CA LYS A 76 7.872 27.046 -16.638 1.00 0.00 C ATOM 1151 C LYS A 76 8.410 27.863 -15.479 1.00 0.00 C ATOM 1152 O LYS A 76 7.717 28.748 -14.964 1.00 0.00 O ATOM 1153 CB LYS A 76 7.551 27.966 -17.814 1.00 0.00 C ATOM 1154 CG LYS A 76 8.763 28.552 -18.535 1.00 0.00 C ATOM 1155 CD LYS A 76 9.526 27.501 -19.342 1.00 0.00 C ATOM 1156 CE LYS A 76 8.684 26.907 -20.481 1.00 0.00 C ATOM 1157 NZ LYS A 76 8.278 27.920 -21.486 1.00 0.00 N1+ ATOM 0 H LYS A 76 5.818 26.829 -16.548 1.00 0.00 H new ATOM 0 HA LYS A 76 8.631 26.319 -16.927 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.953 27.410 -18.536 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.932 28.787 -17.453 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.435 29.350 -19.201 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.434 29.003 -17.804 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.427 27.951 -19.758 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.848 26.700 -18.677 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.254 26.120 -20.975 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.793 26.440 -20.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.816 27.447 -22.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.614 28.593 -21.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.119 28.431 -21.823 1.00 0.00 H new ATOM 1171 N ILE A 77 9.609 27.538 -15.043 1.00 0.00 N ATOM 1172 CA ILE A 77 10.272 28.290 -14.003 1.00 0.00 C ATOM 1173 C ILE A 77 11.724 28.504 -14.405 1.00 0.00 C ATOM 1174 O ILE A 77 12.535 27.566 -14.391 1.00 0.00 O ATOM 1175 CB ILE A 77 10.241 27.603 -12.591 1.00 0.00 C ATOM 1176 CG1 ILE A 77 8.807 27.261 -12.167 1.00 0.00 C ATOM 1177 CG2 ILE A 77 10.876 28.536 -11.549 1.00 0.00 C ATOM 1178 CD1 ILE A 77 8.705 26.591 -10.808 1.00 0.00 C ATOM 0 H ILE A 77 10.148 26.748 -15.399 1.00 0.00 H new ATOM 0 HA ILE A 77 9.726 29.228 -13.905 1.00 0.00 H new ATOM 0 HB ILE A 77 10.808 26.674 -12.654 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.215 28.176 -12.154 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.364 26.606 -12.917 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.853 28.057 -10.570 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.909 28.743 -11.828 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.317 29.471 -11.509 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.659 26.382 -10.583 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.267 25.657 -10.820 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.116 27.252 -10.045 1.00 0.00 H new ATOM 1190 N GLY A 78 12.028 29.708 -14.810 1.00 0.00 N ATOM 1191 CA GLY A 78 13.379 30.070 -15.150 1.00 0.00 C ATOM 1192 C GLY A 78 13.851 29.443 -16.429 1.00 0.00 C ATOM 1193 O GLY A 78 14.821 28.696 -16.441 1.00 0.00 O ATOM 0 H GLY A 78 11.350 30.463 -14.913 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.448 31.154 -15.237 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.044 29.772 -14.339 1.00 0.00 H new ATOM 1197 N GLY A 79 13.120 29.683 -17.488 1.00 0.00 N ATOM 1198 CA GLY A 79 13.523 29.249 -18.812 1.00 0.00 C ATOM 1199 C GLY A 79 13.272 27.783 -19.093 1.00 0.00 C ATOM 1200 O GLY A 79 13.375 27.345 -20.233 1.00 0.00 O ATOM 0 H GLY A 79 12.231 30.183 -17.463 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.991 29.845 -19.554 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.586 29.454 -18.941 1.00 0.00 H new ATOM 1204 N ARG A 80 12.952 27.020 -18.081 1.00 0.00 N ATOM 1205 CA ARG A 80 12.737 25.613 -18.271 1.00 0.00 C ATOM 1206 C ARG A 80 11.492 25.169 -17.555 1.00 0.00 C ATOM 1207 O ARG A 80 11.142 25.709 -16.505 1.00 0.00 O ATOM 1208 CB ARG A 80 13.966 24.801 -17.837 1.00 0.00 C ATOM 1209 CG ARG A 80 14.383 24.998 -16.391 1.00 0.00 C ATOM 1210 CD ARG A 80 15.692 24.293 -16.097 1.00 0.00 C ATOM 1211 NE ARG A 80 16.810 24.870 -16.849 1.00 0.00 N ATOM 1212 CZ ARG A 80 18.091 24.504 -16.731 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.439 23.494 -15.925 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 19.020 25.142 -17.431 1.00 0.00 N ATOM 0 H ARG A 80 12.835 27.348 -17.122 1.00 0.00 H new ATOM 0 HA ARG A 80 12.592 25.427 -19.335 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.761 23.743 -18.000 1.00 0.00 H new ATOM 0 HB3 ARG A 80 14.804 25.066 -18.481 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.485 26.063 -16.181 1.00 0.00 H new ATOM 0 HG3 ARG A 80 13.605 24.616 -15.730 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.904 24.354 -15.030 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.597 23.236 -16.344 1.00 0.00 H new ATOM 0 HE ARG A 80 16.594 25.611 -17.516 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.725 22.996 -15.394 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.419 23.222 -15.842 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.755 25.905 -18.053 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.999 24.869 -17.347 1.00 0.00 H new ATOM 1228 N ALA A 81 10.802 24.248 -18.148 1.00 0.00 N ATOM 1229 CA ALA A 81 9.605 23.717 -17.580 1.00 0.00 C ATOM 1230 C ALA A 81 9.918 22.406 -16.920 1.00 0.00 C ATOM 1231 O ALA A 81 10.400 21.468 -17.578 1.00 0.00 O ATOM 1232 CB ALA A 81 8.543 23.550 -18.638 1.00 0.00 C ATOM 0 H ALA A 81 11.056 23.840 -19.048 1.00 0.00 H new ATOM 0 HA ALA A 81 9.217 24.410 -16.834 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.639 23.144 -18.185 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.321 24.518 -19.087 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.901 22.867 -19.408 1.00 0.00 H new ATOM 1238 N LEU A 82 9.674 22.345 -15.644 1.00 0.00 N ATOM 1239 CA LEU A 82 9.996 21.181 -14.869 1.00 0.00 C ATOM 1240 C LEU A 82 9.085 19.985 -15.166 1.00 0.00 C ATOM 1241 O LEU A 82 7.888 20.131 -15.486 1.00 0.00 O ATOM 1242 CB LEU A 82 10.157 21.517 -13.363 1.00 0.00 C ATOM 1243 CG LEU A 82 9.093 22.423 -12.706 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.753 21.740 -12.604 1.00 0.00 C ATOM 1245 CD2 LEU A 82 9.558 22.878 -11.336 1.00 0.00 C ATOM 0 H LEU A 82 9.246 23.101 -15.110 1.00 0.00 H new ATOM 0 HA LEU A 82 10.979 20.841 -15.195 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.182 20.577 -12.812 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.129 21.991 -13.228 1.00 0.00 H new ATOM 0 HG LEU A 82 8.967 23.294 -13.349 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.036 22.414 -12.136 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.403 21.474 -13.602 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.850 20.837 -12.001 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.797 23.516 -10.887 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.724 22.008 -10.701 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.488 23.438 -11.435 1.00 0.00 H new ATOM 1257 N LYS A 83 9.679 18.831 -15.093 1.00 0.00 N ATOM 1258 CA LYS A 83 9.054 17.571 -15.407 1.00 0.00 C ATOM 1259 C LYS A 83 8.707 16.836 -14.130 1.00 0.00 C ATOM 1260 O LYS A 83 9.538 16.738 -13.245 1.00 0.00 O ATOM 1261 CB LYS A 83 10.048 16.719 -16.254 1.00 0.00 C ATOM 1262 CG LYS A 83 9.696 15.231 -16.393 1.00 0.00 C ATOM 1263 CD LYS A 83 8.381 15.014 -17.109 1.00 0.00 C ATOM 1264 CE LYS A 83 7.925 13.575 -17.013 1.00 0.00 C ATOM 1265 NZ LYS A 83 6.591 13.358 -17.615 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.652 18.733 -14.802 1.00 0.00 H new ATOM 0 HA LYS A 83 8.137 17.743 -15.971 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.112 17.153 -17.252 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.039 16.799 -15.807 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.491 14.722 -16.937 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.647 14.778 -15.403 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.621 15.667 -16.680 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.486 15.294 -18.157 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.652 12.934 -17.511 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.900 13.275 -15.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.327 12.356 -17.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.889 13.948 -17.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.618 13.617 -18.622 1.00 0.00 H new ATOM 1279 N ILE A 84 7.495 16.339 -14.034 1.00 0.00 N ATOM 1280 CA ILE A 84 7.118 15.513 -12.910 1.00 0.00 C ATOM 1281 C ILE A 84 6.667 14.169 -13.445 1.00 0.00 C ATOM 1282 O ILE A 84 5.931 14.102 -14.436 1.00 0.00 O ATOM 1283 CB ILE A 84 5.992 16.101 -11.963 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.360 17.453 -11.359 1.00 0.00 C ATOM 1285 CG2 ILE A 84 5.714 15.147 -10.822 1.00 0.00 C ATOM 1286 CD1 ILE A 84 6.201 18.606 -12.284 1.00 0.00 C ATOM 0 H ILE A 84 6.755 16.492 -14.719 1.00 0.00 H new ATOM 0 HA ILE A 84 8.004 15.447 -12.278 1.00 0.00 H new ATOM 0 HB ILE A 84 5.114 16.233 -12.595 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.742 17.623 -10.477 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.395 17.416 -11.020 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.938 15.564 -10.180 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.378 14.190 -11.221 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.625 14.999 -10.242 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.485 19.525 -11.772 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.840 18.464 -13.155 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.161 18.675 -12.604 1.00 0.00 H new ATOM 1298 N ASP A 85 7.150 13.124 -12.848 1.00 0.00 N ATOM 1299 CA ASP A 85 6.779 11.776 -13.216 1.00 0.00 C ATOM 1300 C ASP A 85 6.761 10.977 -11.931 1.00 0.00 C ATOM 1301 O ASP A 85 6.949 11.557 -10.874 1.00 0.00 O ATOM 1302 CB ASP A 85 7.814 11.184 -14.180 1.00 0.00 C ATOM 1303 CG ASP A 85 7.229 10.103 -15.048 1.00 0.00 C ATOM 1304 OD1 ASP A 85 7.040 8.984 -14.570 1.00 0.00 O1- ATOM 1305 OD2 ASP A 85 6.913 10.378 -16.226 1.00 0.00 O ATOM 0 H ASP A 85 7.821 13.174 -12.082 1.00 0.00 H new ATOM 0 HA ASP A 85 5.811 11.757 -13.716 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.215 11.977 -14.811 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.649 10.777 -13.609 1.00 0.00 H new ATOM 1310 N HIS A 86 6.571 9.698 -11.990 1.00 0.00 N ATOM 1311 CA HIS A 86 6.605 8.892 -10.783 1.00 0.00 C ATOM 1312 C HIS A 86 7.962 8.283 -10.660 1.00 0.00 C ATOM 1313 O HIS A 86 8.612 8.007 -11.667 1.00 0.00 O ATOM 1314 CB HIS A 86 5.556 7.773 -10.776 1.00 0.00 C ATOM 1315 CG HIS A 86 4.135 8.210 -10.668 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.385 8.098 -9.515 1.00 0.00 N ATOM 1317 CD2 HIS A 86 3.304 8.703 -11.607 1.00 0.00 C ATOM 1318 CE1 HIS A 86 2.148 8.510 -9.787 1.00 0.00 C ATOM 1319 NE2 HIS A 86 2.041 8.890 -11.052 1.00 0.00 N ATOM 0 H HIS A 86 6.391 9.179 -12.849 1.00 0.00 H new ATOM 0 HA HIS A 86 6.377 9.549 -9.943 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.668 7.191 -11.691 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.774 7.103 -9.944 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.719 7.759 -8.613 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.575 8.919 -12.630 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.339 8.532 -9.071 1.00 0.00 H new ATOM 1327 N THR A 87 8.430 8.148 -9.464 1.00 0.00 N ATOM 1328 CA THR A 87 9.668 7.496 -9.235 1.00 0.00 C ATOM 1329 C THR A 87 9.657 6.875 -7.856 1.00 0.00 C ATOM 1330 O THR A 87 8.825 7.219 -7.013 1.00 0.00 O ATOM 1331 CB THR A 87 10.882 8.469 -9.389 1.00 0.00 C ATOM 1332 OG1 THR A 87 12.130 7.742 -9.386 1.00 0.00 O ATOM 1333 CG2 THR A 87 10.914 9.491 -8.266 1.00 0.00 C ATOM 0 H THR A 87 7.964 8.487 -8.622 1.00 0.00 H new ATOM 0 HA THR A 87 9.788 6.719 -9.989 1.00 0.00 H new ATOM 0 HB THR A 87 10.759 8.983 -10.342 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.875 8.371 -9.485 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.769 10.153 -8.401 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.995 10.077 -8.281 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.000 8.977 -7.309 1.00 0.00 H new ATOM 1341 N PHE A 88 10.510 5.947 -7.651 1.00 0.00 N ATOM 1342 CA PHE A 88 10.756 5.445 -6.358 1.00 0.00 C ATOM 1343 C PHE A 88 12.186 5.024 -6.338 1.00 0.00 C ATOM 1344 O PHE A 88 12.649 4.334 -7.260 1.00 0.00 O ATOM 1345 CB PHE A 88 9.840 4.281 -5.986 1.00 0.00 C ATOM 1346 CG PHE A 88 9.827 4.000 -4.516 1.00 0.00 C ATOM 1347 CD1 PHE A 88 8.922 4.649 -3.694 1.00 0.00 C ATOM 1348 CD2 PHE A 88 10.721 3.112 -3.951 1.00 0.00 C ATOM 1349 CE1 PHE A 88 8.913 4.415 -2.337 1.00 0.00 C ATOM 1350 CE2 PHE A 88 10.713 2.877 -2.597 1.00 0.00 C ATOM 1351 CZ PHE A 88 9.811 3.528 -1.790 1.00 0.00 C ATOM 0 H PHE A 88 11.064 5.509 -8.387 1.00 0.00 H new ATOM 0 HA PHE A 88 10.549 6.217 -5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.826 4.502 -6.318 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.162 3.387 -6.519 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.216 5.346 -4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.433 2.597 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.203 4.926 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.417 2.180 -2.167 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.807 3.343 -0.726 1.00 0.00 H new ATOM 1361 N TYR A 89 12.896 5.471 -5.352 1.00 0.00 N ATOM 1362 CA TYR A 89 14.276 5.157 -5.211 1.00 0.00 C ATOM 1363 C TYR A 89 14.508 4.907 -3.748 1.00 0.00 C ATOM 1364 O TYR A 89 13.683 5.327 -2.922 1.00 0.00 O ATOM 1365 CB TYR A 89 15.168 6.317 -5.735 1.00 0.00 C ATOM 1366 CG TYR A 89 15.366 7.513 -4.800 1.00 0.00 C ATOM 1367 CD1 TYR A 89 14.354 8.440 -4.557 1.00 0.00 C ATOM 1368 CD2 TYR A 89 16.593 7.705 -4.169 1.00 0.00 C ATOM 1369 CE1 TYR A 89 14.569 9.518 -3.712 1.00 0.00 C ATOM 1370 CE2 TYR A 89 16.812 8.777 -3.330 1.00 0.00 C ATOM 1371 CZ TYR A 89 15.802 9.680 -3.104 1.00 0.00 C ATOM 1372 OH TYR A 89 16.025 10.756 -2.267 1.00 0.00 O ATOM 0 H TYR A 89 12.527 6.071 -4.615 1.00 0.00 H new ATOM 0 HA TYR A 89 14.541 4.279 -5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 89 16.149 5.908 -5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.737 6.682 -6.667 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.392 8.317 -5.032 1.00 0.00 H new ATOM 0 HD2 TYR A 89 17.391 6.998 -4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 89 13.777 10.229 -3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 89 17.772 8.906 -2.853 1.00 0.00 H new ATOM 0 HH TYR A 89 16.942 10.718 -1.923 1.00 0.00 H new ATOM 1382 N ARG A 90 15.567 4.235 -3.411 1.00 0.00 N ATOM 1383 CA ARG A 90 15.824 3.951 -2.027 1.00 0.00 C ATOM 1384 C ARG A 90 16.634 5.070 -1.401 1.00 0.00 C ATOM 1385 O ARG A 90 17.709 5.414 -1.900 1.00 0.00 O ATOM 1386 CB ARG A 90 16.523 2.603 -1.833 1.00 0.00 C ATOM 1387 CG ARG A 90 15.746 1.399 -2.355 1.00 0.00 C ATOM 1388 CD ARG A 90 14.308 1.358 -1.843 1.00 0.00 C ATOM 1389 NE ARG A 90 14.198 1.467 -0.381 1.00 0.00 N ATOM 1390 CZ ARG A 90 13.048 1.353 0.300 1.00 0.00 C ATOM 1391 NH1 ARG A 90 11.948 0.910 -0.308 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 13.015 1.626 1.598 1.00 0.00 N ATOM 0 H ARG A 90 16.262 3.875 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 90 14.860 3.886 -1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 90 17.492 2.637 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.717 2.460 -0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 90 15.739 1.421 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 90 16.259 0.484 -2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.745 2.170 -2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.843 0.426 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 90 15.051 1.641 0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.978 0.656 -1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.076 0.825 0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.864 1.923 2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.140 1.539 2.115 1.00 0.00 H new ATOM 1406 N PRO A 91 16.116 5.681 -0.326 1.00 0.00 N ATOM 1407 CA PRO A 91 16.809 6.757 0.372 1.00 0.00 C ATOM 1408 C PRO A 91 18.096 6.245 1.022 1.00 0.00 C ATOM 1409 O PRO A 91 18.122 5.148 1.607 1.00 0.00 O ATOM 1410 CB PRO A 91 15.795 7.204 1.439 1.00 0.00 C ATOM 1411 CG PRO A 91 14.894 6.041 1.632 1.00 0.00 C ATOM 1412 CD PRO A 91 14.816 5.359 0.303 1.00 0.00 C ATOM 0 HA PRO A 91 17.113 7.567 -0.291 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.295 7.473 2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.239 8.082 1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 91 15.284 5.367 2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.907 6.362 1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.678 4.283 0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.980 5.730 -0.290 1.00 0.00 H new ATOM 1420 N LYS A 92 19.155 7.018 0.929 1.00 0.00 N ATOM 1421 CA LYS A 92 20.418 6.577 1.469 1.00 0.00 C ATOM 1422 C LYS A 92 20.431 6.877 2.955 1.00 0.00 C ATOM 1423 O LYS A 92 20.094 7.985 3.364 1.00 0.00 O ATOM 1424 CB LYS A 92 21.566 7.356 0.802 1.00 0.00 C ATOM 1425 CG LYS A 92 21.556 7.326 -0.725 1.00 0.00 C ATOM 1426 CD LYS A 92 22.677 8.186 -1.322 1.00 0.00 C ATOM 1427 CE LYS A 92 24.065 7.639 -1.003 1.00 0.00 C ATOM 1428 NZ LYS A 92 25.138 8.500 -1.544 1.00 0.00 N1+ ATOM 0 H LYS A 92 19.167 7.940 0.492 1.00 0.00 H new ATOM 0 HA LYS A 92 20.546 5.510 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.522 8.394 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.515 6.950 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.666 6.297 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.592 7.682 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.551 8.242 -2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.594 9.203 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.181 7.552 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.163 6.635 -1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 26.058 8.034 -1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.976 8.660 -2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 25.136 9.412 -1.045 1.00 0.00 H new ATOM 1442 N ARG A 93 20.906 5.955 3.759 1.00 0.00 N ATOM 1443 CA ARG A 93 20.949 6.205 5.186 1.00 0.00 C ATOM 1444 C ARG A 93 22.101 7.114 5.535 1.00 0.00 C ATOM 1445 O ARG A 93 22.116 7.734 6.579 1.00 0.00 O ATOM 1446 CB ARG A 93 20.950 4.942 6.034 1.00 0.00 C ATOM 1447 CG ARG A 93 22.097 3.996 5.797 1.00 0.00 C ATOM 1448 CD ARG A 93 22.105 2.947 6.873 1.00 0.00 C ATOM 1449 NE ARG A 93 23.147 1.934 6.663 1.00 0.00 N ATOM 1450 CZ ARG A 93 23.323 0.844 7.424 1.00 0.00 C ATOM 1451 NH1 ARG A 93 22.568 0.645 8.494 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 24.258 -0.046 7.118 1.00 0.00 N ATOM 0 H ARG A 93 21.261 5.046 3.463 1.00 0.00 H new ATOM 0 HA ARG A 93 20.017 6.713 5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.954 5.232 7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.018 4.406 5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 93 22.001 3.528 4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 93 23.040 4.542 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 93 22.257 3.425 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.131 2.460 6.908 1.00 0.00 H new ATOM 0 HE ARG A 93 23.785 2.070 5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 93 21.848 1.323 8.743 1.00 0.00 H new ATOM 0 HH12 ARG A 93 22.707 -0.186 9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 93 24.849 0.096 6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 93 24.386 -0.873 7.702 1.00 0.00 H new ATOM 1466 N SER A 94 23.043 7.231 4.620 1.00 0.00 N ATOM 1467 CA SER A 94 24.139 8.163 4.766 1.00 0.00 C ATOM 1468 C SER A 94 23.586 9.597 4.771 1.00 0.00 C ATOM 1469 O SER A 94 24.227 10.522 5.251 1.00 0.00 O ATOM 1470 CB SER A 94 25.097 8.000 3.589 1.00 0.00 C ATOM 1471 OG SER A 94 25.463 6.638 3.412 1.00 0.00 O ATOM 0 H SER A 94 23.069 6.685 3.759 1.00 0.00 H new ATOM 0 HA SER A 94 24.666 7.968 5.700 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.628 8.375 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 94 25.991 8.601 3.757 1.00 0.00 H new ATOM 0 HG SER A 94 26.076 6.560 2.651 1.00 0.00 H new ATOM 1477 N LEU A 95 22.391 9.756 4.200 1.00 0.00 N ATOM 1478 CA LEU A 95 21.739 11.033 4.108 1.00 0.00 C ATOM 1479 C LEU A 95 20.498 11.084 4.998 1.00 0.00 C ATOM 1480 O LEU A 95 19.692 11.999 4.855 1.00 0.00 O ATOM 1481 CB LEU A 95 21.317 11.306 2.656 1.00 0.00 C ATOM 1482 CG LEU A 95 22.418 11.243 1.601 1.00 0.00 C ATOM 1483 CD1 LEU A 95 21.862 11.587 0.228 1.00 0.00 C ATOM 1484 CD2 LEU A 95 23.559 12.167 1.956 1.00 0.00 C ATOM 0 H LEU A 95 21.858 8.989 3.791 1.00 0.00 H new ATOM 0 HA LEU A 95 22.447 11.791 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 95 20.544 10.587 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.861 12.295 2.614 1.00 0.00 H new ATOM 0 HG LEU A 95 22.803 10.223 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 95 22.661 11.537 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 95 21.079 10.876 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.447 12.595 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 95 24.331 12.104 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 95 23.192 13.191 2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 95 23.979 11.873 2.918 1.00 0.00 H new ATOM 1496 N GLN A 96 20.353 10.138 5.938 1.00 0.00 N ATOM 1497 CA GLN A 96 19.113 10.054 6.738 1.00 0.00 C ATOM 1498 C GLN A 96 18.803 11.338 7.518 1.00 0.00 C ATOM 1499 O GLN A 96 17.646 11.743 7.610 1.00 0.00 O ATOM 1500 CB GLN A 96 19.031 8.789 7.623 1.00 0.00 C ATOM 1501 CG GLN A 96 20.112 8.640 8.680 1.00 0.00 C ATOM 1502 CD GLN A 96 19.961 7.370 9.480 1.00 0.00 C ATOM 1503 OE1 GLN A 96 20.527 6.333 9.132 1.00 0.00 O ATOM 1504 NE2 GLN A 96 19.199 7.421 10.525 1.00 0.00 N ATOM 0 H GLN A 96 21.057 9.435 6.163 1.00 0.00 H new ATOM 0 HA GLN A 96 18.316 9.951 6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.061 8.781 8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.063 7.914 6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 96 21.090 8.650 8.199 1.00 0.00 H new ATOM 0 HG3 GLN A 96 20.079 9.497 9.353 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.746 8.298 10.784 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.052 6.585 11.090 1.00 0.00 H new ATOM 1513 N LYS A 97 19.840 12.016 8.016 1.00 0.00 N ATOM 1514 CA LYS A 97 19.633 13.285 8.715 1.00 0.00 C ATOM 1515 C LYS A 97 19.191 14.385 7.776 1.00 0.00 C ATOM 1516 O LYS A 97 18.572 15.318 8.198 1.00 0.00 O ATOM 1517 CB LYS A 97 20.845 13.728 9.537 1.00 0.00 C ATOM 1518 CG LYS A 97 21.069 12.926 10.805 1.00 0.00 C ATOM 1519 CD LYS A 97 19.940 13.130 11.827 1.00 0.00 C ATOM 1520 CE LYS A 97 19.821 14.585 12.292 1.00 0.00 C ATOM 1521 NZ LYS A 97 18.759 14.760 13.310 1.00 0.00 N1+ ATOM 0 H LYS A 97 20.812 11.715 7.950 1.00 0.00 H new ATOM 0 HA LYS A 97 18.825 13.096 9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.737 13.657 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.725 14.778 9.802 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.144 11.868 10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.019 13.216 11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.994 12.815 11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 97 20.117 12.490 12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.775 14.912 12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.609 15.223 11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.325 15.699 13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.033 14.026 13.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.172 14.678 14.261 1.00 0.00 H new ATOM 1535 N TYR A 98 19.505 14.267 6.495 1.00 0.00 N ATOM 1536 CA TYR A 98 19.039 15.255 5.532 1.00 0.00 C ATOM 1537 C TYR A 98 17.548 15.064 5.321 1.00 0.00 C ATOM 1538 O TYR A 98 16.791 16.017 5.316 1.00 0.00 O ATOM 1539 CB TYR A 98 19.818 15.179 4.176 1.00 0.00 C ATOM 1540 CG TYR A 98 19.181 15.995 3.043 1.00 0.00 C ATOM 1541 CD1 TYR A 98 19.194 17.387 3.052 1.00 0.00 C ATOM 1542 CD2 TYR A 98 18.548 15.359 1.977 1.00 0.00 C ATOM 1543 CE1 TYR A 98 18.586 18.118 2.038 1.00 0.00 C ATOM 1544 CE2 TYR A 98 17.948 16.085 0.959 1.00 0.00 C ATOM 1545 CZ TYR A 98 17.964 17.463 0.996 1.00 0.00 C ATOM 1546 OH TYR A 98 17.342 18.185 -0.011 1.00 0.00 O ATOM 0 H TYR A 98 20.069 13.513 6.103 1.00 0.00 H new ATOM 0 HA TYR A 98 19.231 16.250 5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.837 15.531 4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.885 14.136 3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 98 19.685 17.908 3.861 1.00 0.00 H new ATOM 0 HD2 TYR A 98 18.524 14.280 1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 98 18.601 19.198 2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 98 17.469 15.572 0.138 1.00 0.00 H new ATOM 0 HH TYR A 98 17.607 19.127 0.050 1.00 0.00 H new ATOM 1556 N TYR A 99 17.144 13.811 5.232 1.00 0.00 N ATOM 1557 CA TYR A 99 15.761 13.454 4.967 1.00 0.00 C ATOM 1558 C TYR A 99 14.851 13.865 6.116 1.00 0.00 C ATOM 1559 O TYR A 99 13.778 14.462 5.903 1.00 0.00 O ATOM 1560 CB TYR A 99 15.625 11.948 4.709 1.00 0.00 C ATOM 1561 CG TYR A 99 16.451 11.427 3.547 1.00 0.00 C ATOM 1562 CD1 TYR A 99 16.584 12.157 2.384 1.00 0.00 C ATOM 1563 CD2 TYR A 99 17.068 10.196 3.608 1.00 0.00 C ATOM 1564 CE1 TYR A 99 17.308 11.683 1.310 1.00 0.00 C ATOM 1565 CE2 TYR A 99 17.798 9.716 2.542 1.00 0.00 C ATOM 1566 CZ TYR A 99 17.912 10.461 1.395 1.00 0.00 C ATOM 1567 OH TYR A 99 18.636 9.971 0.323 1.00 0.00 O ATOM 0 H TYR A 99 17.766 13.010 5.341 1.00 0.00 H new ATOM 0 HA TYR A 99 15.452 13.996 4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.914 11.411 5.612 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.576 11.718 4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 99 16.109 13.124 2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 99 16.978 9.599 4.504 1.00 0.00 H new ATOM 0 HE1 TYR A 99 17.397 12.273 0.410 1.00 0.00 H new ATOM 0 HE2 TYR A 99 18.281 8.752 2.609 1.00 0.00 H new ATOM 0 HH TYR A 99 18.818 10.698 -0.309 1.00 0.00 H new ATOM 1577 N GLU A 100 15.267 13.560 7.328 1.00 0.00 N ATOM 1578 CA GLU A 100 14.466 13.897 8.479 1.00 0.00 C ATOM 1579 C GLU A 100 14.472 15.401 8.748 1.00 0.00 C ATOM 1580 O GLU A 100 13.443 15.968 9.114 1.00 0.00 O ATOM 1581 CB GLU A 100 14.837 13.034 9.707 1.00 0.00 C ATOM 1582 CG GLU A 100 16.274 13.137 10.181 1.00 0.00 C ATOM 1583 CD GLU A 100 16.483 14.135 11.297 1.00 0.00 C ATOM 1584 OE1 GLU A 100 16.388 13.741 12.479 1.00 0.00 O1- ATOM 1585 OE2 GLU A 100 16.813 15.289 11.040 1.00 0.00 O ATOM 0 H GLU A 100 16.145 13.085 7.537 1.00 0.00 H new ATOM 0 HA GLU A 100 13.429 13.647 8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.182 13.312 10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.627 11.991 9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.606 12.155 10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.905 13.414 9.337 1.00 0.00 H new ATOM 1592 N ALA A 101 15.605 16.055 8.476 1.00 0.00 N ATOM 1593 CA ALA A 101 15.733 17.493 8.684 1.00 0.00 C ATOM 1594 C ALA A 101 14.820 18.271 7.767 1.00 0.00 C ATOM 1595 O ALA A 101 14.328 19.343 8.139 1.00 0.00 O ATOM 1596 CB ALA A 101 17.175 17.969 8.524 1.00 0.00 C ATOM 0 H ALA A 101 16.446 15.607 8.111 1.00 0.00 H new ATOM 0 HA ALA A 101 15.430 17.684 9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.223 19.046 8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.808 17.463 9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.525 17.739 7.518 1.00 0.00 H new ATOM 1602 N VAL A 102 14.596 17.743 6.581 1.00 0.00 N ATOM 1603 CA VAL A 102 13.711 18.379 5.639 1.00 0.00 C ATOM 1604 C VAL A 102 12.257 18.198 6.064 1.00 0.00 C ATOM 1605 O VAL A 102 11.495 19.172 6.154 1.00 0.00 O ATOM 1606 CB VAL A 102 13.891 17.841 4.187 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.867 18.464 3.258 1.00 0.00 C ATOM 1608 CG2 VAL A 102 15.270 18.152 3.667 1.00 0.00 C ATOM 0 H VAL A 102 15.017 16.875 6.251 1.00 0.00 H new ATOM 0 HA VAL A 102 13.972 19.437 5.638 1.00 0.00 H new ATOM 0 HB VAL A 102 13.751 16.760 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.008 18.077 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.864 18.217 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.993 19.547 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.372 17.767 2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.422 19.231 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.015 17.683 4.309 1.00 0.00 H new ATOM 1618 N LYS A 103 11.888 16.958 6.382 1.00 0.00 N ATOM 1619 CA LYS A 103 10.497 16.645 6.669 1.00 0.00 C ATOM 1620 C LYS A 103 10.007 17.276 7.964 1.00 0.00 C ATOM 1621 O LYS A 103 8.819 17.363 8.159 1.00 0.00 O ATOM 1622 CB LYS A 103 10.210 15.145 6.675 1.00 0.00 C ATOM 1623 CG LYS A 103 10.733 14.427 7.893 1.00 0.00 C ATOM 1624 CD LYS A 103 10.403 12.935 7.913 1.00 0.00 C ATOM 1625 CE LYS A 103 11.096 12.101 6.815 1.00 0.00 C ATOM 1626 NZ LYS A 103 10.504 12.254 5.461 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.527 16.165 6.446 1.00 0.00 H new ATOM 0 HA LYS A 103 9.937 17.087 5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.133 14.991 6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.651 14.697 5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.815 14.552 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.318 14.894 8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.680 12.530 8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.324 12.815 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 103 12.148 12.383 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.059 11.049 7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.418 11.320 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.562 12.688 5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.117 12.862 4.881 1.00 0.00 H new ATOM 1640 N GLU A 104 10.925 17.666 8.856 1.00 0.00 N ATOM 1641 CA GLU A 104 10.562 18.354 10.106 1.00 0.00 C ATOM 1642 C GLU A 104 9.579 19.495 9.857 1.00 0.00 C ATOM 1643 O GLU A 104 8.494 19.518 10.423 1.00 0.00 O ATOM 1644 CB GLU A 104 11.804 18.901 10.801 1.00 0.00 C ATOM 1645 CG GLU A 104 12.659 17.858 11.486 1.00 0.00 C ATOM 1646 CD GLU A 104 11.954 17.213 12.649 1.00 0.00 C ATOM 1647 OE1 GLU A 104 11.964 17.801 13.761 1.00 0.00 O ATOM 1648 OE2 GLU A 104 11.385 16.123 12.493 1.00 0.00 O1- ATOM 0 H GLU A 104 11.927 17.518 8.737 1.00 0.00 H new ATOM 0 HA GLU A 104 10.080 17.617 10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.414 19.424 10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.494 19.639 11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.940 17.091 10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.582 18.321 11.835 1.00 0.00 H new ATOM 1655 N GLU A 105 9.944 20.391 8.955 1.00 0.00 N ATOM 1656 CA GLU A 105 9.118 21.556 8.632 1.00 0.00 C ATOM 1657 C GLU A 105 7.799 21.121 8.004 1.00 0.00 C ATOM 1658 O GLU A 105 6.744 21.711 8.255 1.00 0.00 O ATOM 1659 CB GLU A 105 9.857 22.468 7.649 1.00 0.00 C ATOM 1660 CG GLU A 105 11.208 22.951 8.135 1.00 0.00 C ATOM 1661 CD GLU A 105 11.122 23.719 9.435 1.00 0.00 C ATOM 1662 OE1 GLU A 105 10.701 24.891 9.420 1.00 0.00 O1- ATOM 1663 OE2 GLU A 105 11.473 23.162 10.500 1.00 0.00 O ATOM 0 H GLU A 105 10.814 20.338 8.426 1.00 0.00 H new ATOM 0 HA GLU A 105 8.916 22.095 9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.993 21.933 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.231 23.334 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.869 22.095 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.658 23.586 7.372 1.00 0.00 H new ATOM 1670 N LEU A 106 7.873 20.058 7.231 1.00 0.00 N ATOM 1671 CA LEU A 106 6.740 19.548 6.477 1.00 0.00 C ATOM 1672 C LEU A 106 5.745 18.886 7.410 1.00 0.00 C ATOM 1673 O LEU A 106 4.549 19.111 7.311 1.00 0.00 O ATOM 1674 CB LEU A 106 7.224 18.537 5.443 1.00 0.00 C ATOM 1675 CG LEU A 106 8.431 18.964 4.607 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.787 17.901 3.600 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.185 20.299 3.923 1.00 0.00 C ATOM 0 H LEU A 106 8.728 19.516 7.105 1.00 0.00 H new ATOM 0 HA LEU A 106 6.250 20.380 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.473 17.610 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.399 18.314 4.767 1.00 0.00 H new ATOM 0 HG LEU A 106 9.277 19.090 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.648 18.226 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.030 16.974 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.941 17.732 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.062 20.574 3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.320 20.217 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.997 21.064 4.676 1.00 0.00 H new ATOM 1689 N ASP A 107 6.266 18.093 8.339 1.00 0.00 N ATOM 1690 CA ASP A 107 5.457 17.388 9.330 1.00 0.00 C ATOM 1691 C ASP A 107 4.617 18.346 10.115 1.00 0.00 C ATOM 1692 O ASP A 107 3.443 18.079 10.374 1.00 0.00 O ATOM 1693 CB ASP A 107 6.333 16.553 10.290 1.00 0.00 C ATOM 1694 CG ASP A 107 5.550 15.980 11.467 1.00 0.00 C ATOM 1695 OD1 ASP A 107 4.883 14.923 11.296 1.00 0.00 O ATOM 1696 OD2 ASP A 107 5.587 16.566 12.579 1.00 0.00 O1- ATOM 0 H ASP A 107 7.267 17.919 8.428 1.00 0.00 H new ATOM 0 HA ASP A 107 4.803 16.708 8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.793 15.736 9.735 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.143 17.177 10.669 1.00 0.00 H new ATOM 1701 N ARG A 108 5.197 19.491 10.436 1.00 0.00 N ATOM 1702 CA ARG A 108 4.514 20.483 11.240 1.00 0.00 C ATOM 1703 C ARG A 108 3.363 21.105 10.448 1.00 0.00 C ATOM 1704 O ARG A 108 2.313 21.380 10.988 1.00 0.00 O ATOM 1705 CB ARG A 108 5.460 21.595 11.715 1.00 0.00 C ATOM 1706 CG ARG A 108 6.804 21.141 12.283 1.00 0.00 C ATOM 1707 CD ARG A 108 6.691 20.002 13.288 1.00 0.00 C ATOM 1708 NE ARG A 108 5.947 20.353 14.498 1.00 0.00 N ATOM 1709 CZ ARG A 108 5.257 19.470 15.229 1.00 0.00 C ATOM 1710 NH1 ARG A 108 5.099 18.205 14.796 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 4.720 19.849 16.381 1.00 0.00 N ATOM 0 H ARG A 108 6.140 19.754 10.150 1.00 0.00 H new ATOM 0 HA ARG A 108 4.128 19.969 12.120 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.651 22.264 10.876 1.00 0.00 H new ATOM 0 HB3 ARG A 108 4.946 22.180 12.478 1.00 0.00 H new ATOM 0 HG2 ARG A 108 7.448 20.826 11.462 1.00 0.00 H new ATOM 0 HG3 ARG A 108 7.291 21.990 12.763 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.205 19.153 12.807 1.00 0.00 H new ATOM 0 HD3 ARG A 108 7.693 19.678 13.570 1.00 0.00 H new ATOM 0 HE ARG A 108 5.955 21.327 14.802 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.506 17.916 13.907 1.00 0.00 H new ATOM 0 HH12 ARG A 108 4.572 17.536 15.357 1.00 0.00 H new ATOM 0 HH21 ARG A 108 4.834 20.809 16.705 1.00 0.00 H new ATOM 0 HH22 ARG A 108 4.193 19.180 16.942 1.00 0.00 H new ATOM 1725 N ASP A 109 3.574 21.259 9.150 1.00 0.00 N ATOM 1726 CA ASP A 109 2.595 21.891 8.237 1.00 0.00 C ATOM 1727 C ASP A 109 1.327 21.027 8.175 1.00 0.00 C ATOM 1728 O ASP A 109 0.197 21.526 8.127 1.00 0.00 O ATOM 1729 CB ASP A 109 3.217 21.972 6.830 1.00 0.00 C ATOM 1730 CG ASP A 109 2.639 23.049 5.924 1.00 0.00 C ATOM 1731 OD1 ASP A 109 1.414 23.177 5.773 1.00 0.00 O ATOM 1732 OD2 ASP A 109 3.441 23.788 5.319 1.00 0.00 O1- ATOM 0 H ASP A 109 4.428 20.953 8.684 1.00 0.00 H new ATOM 0 HA ASP A 109 2.340 22.888 8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.288 22.144 6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.096 21.005 6.341 1.00 0.00 H new ATOM 1737 N ILE A 110 1.548 19.723 8.214 1.00 0.00 N ATOM 1738 CA ILE A 110 0.490 18.714 8.131 1.00 0.00 C ATOM 1739 C ILE A 110 -0.183 18.524 9.495 1.00 0.00 C ATOM 1740 O ILE A 110 -1.404 18.359 9.593 1.00 0.00 O ATOM 1741 CB ILE A 110 1.101 17.332 7.761 1.00 0.00 C ATOM 1742 CG1 ILE A 110 2.021 17.434 6.551 1.00 0.00 C ATOM 1743 CG2 ILE A 110 -0.002 16.302 7.497 1.00 0.00 C ATOM 1744 CD1 ILE A 110 2.841 16.185 6.319 1.00 0.00 C ATOM 0 H ILE A 110 2.482 19.323 8.306 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.225 19.056 7.382 1.00 0.00 H new ATOM 0 HB ILE A 110 1.696 17.001 8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.422 17.638 5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.693 18.282 6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.449 15.344 7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -0.614 16.187 8.392 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.627 16.642 6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.475 16.323 5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.465 15.992 7.191 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.175 15.338 6.155 1.00 0.00 H new ATOM 1973 N ILE B 206 25.255 15.563 8.238 1.00 0.00 N ATOM 1974 CA ILE B 206 25.564 15.372 6.855 1.00 0.00 C ATOM 1975 C ILE B 206 26.218 16.650 6.456 1.00 0.00 C ATOM 1976 O ILE B 206 25.888 17.688 7.025 1.00 0.00 O ATOM 1977 CB ILE B 206 24.283 15.236 5.973 1.00 0.00 C ATOM 1978 CG1 ILE B 206 23.160 14.451 6.679 1.00 0.00 C ATOM 1979 CG2 ILE B 206 24.626 14.570 4.643 1.00 0.00 C ATOM 1980 CD1 ILE B 206 23.485 13.000 6.992 1.00 0.00 C ATOM 0 HA ILE B 206 26.161 14.470 6.721 1.00 0.00 H new ATOM 0 HB ILE B 206 23.911 16.245 5.795 1.00 0.00 H new ATOM 0 HG12 ILE B 206 22.912 14.960 7.610 1.00 0.00 H new ATOM 0 HG13 ILE B 206 22.268 14.480 6.053 1.00 0.00 H new ATOM 0 HG21 ILE B 206 23.724 14.481 4.037 1.00 0.00 H new ATOM 0 HG22 ILE B 206 25.361 15.175 4.112 1.00 0.00 H new ATOM 0 HG23 ILE B 206 25.038 13.578 4.828 1.00 0.00 H new ATOM 0 HD11 ILE B 206 22.633 12.535 7.488 1.00 0.00 H new ATOM 0 HD12 ILE B 206 23.701 12.468 6.066 1.00 0.00 H new ATOM 0 HD13 ILE B 206 24.355 12.955 7.648 1.00 0.00 H new ATOM 1992 N ASP B 207 27.084 16.613 5.501 1.00 0.00 N ATOM 1993 CA ASP B 207 27.781 17.816 5.077 1.00 0.00 C ATOM 1994 C ASP B 207 26.851 18.693 4.251 1.00 0.00 C ATOM 1995 O ASP B 207 27.049 19.895 4.133 1.00 0.00 O ATOM 1996 CB ASP B 207 29.016 17.434 4.277 1.00 0.00 C ATOM 1997 CG ASP B 207 29.997 18.585 4.082 1.00 0.00 C ATOM 1998 OD1 ASP B 207 30.701 18.949 5.055 1.00 0.00 O ATOM 1999 OD2 ASP B 207 30.134 19.104 2.959 1.00 0.00 O1- ATOM 0 H ASP B 207 27.338 15.769 4.988 1.00 0.00 H new ATOM 0 HA ASP B 207 28.095 18.383 5.954 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.527 16.614 4.782 1.00 0.00 H new ATOM 0 HB3 ASP B 207 28.706 17.063 3.300 1.00 0.00 H new ATOM 2004 N ILE B 208 25.795 18.085 3.733 1.00 0.00 N ATOM 2005 CA ILE B 208 24.847 18.784 2.886 1.00 0.00 C ATOM 2006 C ILE B 208 23.909 19.658 3.731 1.00 0.00 C ATOM 2007 O ILE B 208 24.094 20.873 3.831 1.00 0.00 O ATOM 2008 CB ILE B 208 23.947 17.818 2.071 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.722 16.615 1.547 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.343 18.570 0.909 1.00 0.00 C ATOM 2011 CD1 ILE B 208 23.845 15.613 0.815 1.00 0.00 C ATOM 0 H ILE B 208 25.574 17.101 3.887 1.00 0.00 H new ATOM 0 HA ILE B 208 25.449 19.384 2.204 1.00 0.00 H new ATOM 0 HB ILE B 208 23.169 17.444 2.736 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.507 16.961 0.875 1.00 0.00 H new ATOM 0 HG13 ILE B 208 25.214 16.116 2.382 1.00 0.00 H new ATOM 0 HG21 ILE B 208 22.709 17.898 0.331 1.00 0.00 H new ATOM 0 HG22 ILE B 208 22.745 19.400 1.284 1.00 0.00 H new ATOM 0 HG23 ILE B 208 24.139 18.955 0.272 1.00 0.00 H new ATOM 0 HD11 ILE B 208 24.456 14.780 0.467 1.00 0.00 H new ATOM 0 HD12 ILE B 208 23.076 15.240 1.491 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.373 16.098 -0.039 1.00 0.00 H new ATOM 2023 N MET B 209 22.925 18.983 4.385 1.00 0.00 N ATOM 2024 CA MET B 209 21.843 19.623 5.162 1.00 0.00 C ATOM 2025 C MET B 209 20.907 20.469 4.244 1.00 0.00 C ATOM 2026 O MET B 209 21.311 20.896 3.164 1.00 0.00 O ATOM 2027 CB MET B 209 22.402 20.425 6.362 1.00 0.00 C ATOM 2028 CG MET B 209 23.128 19.567 7.421 1.00 0.00 C ATOM 2029 SD MET B 209 22.070 18.787 8.694 1.00 0.00 S ATOM 2030 CE MET B 209 21.072 17.621 7.778 1.00 0.00 C ATOM 0 H MET B 209 22.866 17.965 4.383 1.00 0.00 H new ATOM 0 HA MET B 209 21.223 18.834 5.588 1.00 0.00 H new ATOM 0 HB2 MET B 209 23.093 21.180 5.988 1.00 0.00 H new ATOM 0 HB3 MET B 209 21.580 20.955 6.843 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.679 18.781 6.905 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.863 20.194 7.924 1.00 0.00 H new ATOM 0 HE1 MET B 209 20.790 16.793 8.429 1.00 0.00 H new ATOM 0 HE2 MET B 209 20.173 18.119 7.414 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.643 17.239 6.932 1.00 0.00 H new ATOM 2040 N PRO B 210 19.625 20.648 4.622 1.00 0.00 N ATOM 2041 CA PRO B 210 18.667 21.407 3.797 1.00 0.00 C ATOM 2042 C PRO B 210 18.966 22.901 3.762 1.00 0.00 C ATOM 2043 O PRO B 210 19.608 23.446 4.677 1.00 0.00 O ATOM 2044 CB PRO B 210 17.333 21.155 4.490 1.00 0.00 C ATOM 2045 CG PRO B 210 17.686 20.862 5.904 1.00 0.00 C ATOM 2046 CD PRO B 210 18.990 20.127 5.852 1.00 0.00 C ATOM 0 HA PRO B 210 18.698 21.091 2.754 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.680 22.025 4.418 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.802 20.319 4.034 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.777 21.781 6.483 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.915 20.258 6.383 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.599 20.325 6.734 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.842 19.048 5.803 1.00 0.00 H new ATOM 2054 N ASP B 211 18.496 23.554 2.730 1.00 0.00 N ATOM 2055 CA ASP B 211 18.709 24.978 2.559 1.00 0.00 C ATOM 2056 C ASP B 211 17.434 25.762 2.861 1.00 0.00 C ATOM 2057 O ASP B 211 17.442 26.677 3.679 1.00 0.00 O ATOM 2058 CB ASP B 211 19.197 25.265 1.140 1.00 0.00 C ATOM 2059 CG ASP B 211 19.304 26.732 0.830 1.00 0.00 C ATOM 2060 OD1 ASP B 211 20.182 27.413 1.380 1.00 0.00 O ATOM 2061 OD2 ASP B 211 18.527 27.217 -0.011 1.00 0.00 O1- ATOM 0 H ASP B 211 17.955 23.119 1.983 1.00 0.00 H new ATOM 0 HA ASP B 211 19.473 25.302 3.266 1.00 0.00 H new ATOM 0 HB2 ASP B 211 20.172 24.799 0.998 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.515 24.800 0.428 1.00 0.00 H new ATOM 2066 N PHE B 212 16.336 25.357 2.224 1.00 0.00 N ATOM 2067 CA PHE B 212 15.018 26.017 2.372 1.00 0.00 C ATOM 2068 C PHE B 212 15.038 27.525 2.056 1.00 0.00 C ATOM 2069 O PHE B 212 14.971 28.364 2.969 1.00 0.00 O ATOM 2070 CB PHE B 212 14.378 25.801 3.761 1.00 0.00 C ATOM 2071 CG PHE B 212 14.002 24.392 4.090 1.00 0.00 C ATOM 2072 CD1 PHE B 212 13.104 23.706 3.303 1.00 0.00 C ATOM 2073 CD2 PHE B 212 14.516 23.768 5.215 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.725 22.427 3.624 1.00 0.00 C ATOM 2075 CE2 PHE B 212 14.139 22.480 5.535 1.00 0.00 C ATOM 2076 CZ PHE B 212 13.239 21.814 4.732 1.00 0.00 C ATOM 0 H PHE B 212 16.324 24.561 1.587 1.00 0.00 H new ATOM 0 HA PHE B 212 14.402 25.521 1.622 1.00 0.00 H new ATOM 0 HB2 PHE B 212 15.073 26.159 4.520 1.00 0.00 H new ATOM 0 HB3 PHE B 212 13.484 26.421 3.829 1.00 0.00 H new ATOM 0 HD1 PHE B 212 12.694 24.180 2.424 1.00 0.00 H new ATOM 0 HD2 PHE B 212 15.217 24.294 5.846 1.00 0.00 H new ATOM 0 HE1 PHE B 212 12.018 21.903 2.999 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.547 21.996 6.410 1.00 0.00 H new ATOM 0 HZ PHE B 212 12.939 20.806 4.979 1.00 0.00 H new ATOM 2086 N SER B 213 15.130 27.861 0.790 1.00 0.00 N ATOM 2087 CA SER B 213 15.099 29.243 0.356 1.00 0.00 C ATOM 2088 C SER B 213 14.281 29.293 -0.932 1.00 0.00 C ATOM 2089 O SER B 213 14.176 28.270 -1.611 1.00 0.00 O ATOM 2090 CB SER B 213 16.534 29.725 0.057 1.00 0.00 C ATOM 2091 OG SER B 213 17.426 29.409 1.121 1.00 0.00 O ATOM 0 H SER B 213 15.228 27.187 0.031 1.00 0.00 H new ATOM 0 HA SER B 213 14.665 29.879 1.127 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.889 29.264 -0.865 1.00 0.00 H new ATOM 0 HB3 SER B 213 16.530 30.803 -0.107 1.00 0.00 H new ATOM 0 HG SER B 213 18.026 28.686 0.841 1.00 0.00 H new ATOM 2097 N PRO B 214 13.631 30.410 -1.254 1.00 0.00 N ATOM 2098 CA PRO B 214 12.978 30.565 -2.552 1.00 0.00 C ATOM 2099 C PRO B 214 13.992 30.947 -3.590 1.00 0.00 C ATOM 2100 O PRO B 214 15.102 31.413 -3.252 1.00 0.00 O ATOM 2101 CB PRO B 214 12.081 31.774 -2.381 1.00 0.00 C ATOM 2102 CG PRO B 214 12.688 32.566 -1.268 1.00 0.00 C ATOM 2103 CD PRO B 214 13.436 31.596 -0.387 1.00 0.00 C ATOM 0 HA PRO B 214 12.465 29.651 -2.851 1.00 0.00 H new ATOM 0 HB2 PRO B 214 12.033 32.360 -3.299 1.00 0.00 H new ATOM 0 HB3 PRO B 214 11.061 31.475 -2.139 1.00 0.00 H new ATOM 0 HG2 PRO B 214 13.362 33.328 -1.661 1.00 0.00 H new ATOM 0 HG3 PRO B 214 11.916 33.085 -0.700 1.00 0.00 H new ATOM 0 HD2 PRO B 214 14.388 32.010 -0.055 1.00 0.00 H new ATOM 0 HD3 PRO B 214 12.866 31.348 0.509 1.00 0.00 H new ATOM 2111 N SER B 215 13.675 30.757 -4.815 1.00 0.00 N ATOM 2112 CA SER B 215 14.487 31.297 -5.803 1.00 0.00 C ATOM 2113 C SER B 215 13.963 32.686 -6.118 1.00 0.00 C ATOM 2114 O SER B 215 12.824 33.058 -5.776 1.00 0.00 O ATOM 2115 CB SER B 215 14.508 30.439 -7.065 1.00 0.00 C ATOM 2116 OG SER B 215 13.275 30.539 -7.776 1.00 0.00 O ATOM 0 H SER B 215 12.863 30.234 -5.143 1.00 0.00 H new ATOM 0 HA SER B 215 15.514 31.337 -5.441 1.00 0.00 H new ATOM 0 HB2 SER B 215 15.329 30.754 -7.709 1.00 0.00 H new ATOM 0 HB3 SER B 215 14.694 29.399 -6.798 1.00 0.00 H new ATOM 0 HG SER B 215 12.533 30.310 -7.178 1.00 0.00 H new ATOM 2122 N GLY B 216 14.780 33.414 -6.728 1.00 0.00 N ATOM 2123 CA GLY B 216 14.481 34.719 -7.186 1.00 0.00 C ATOM 2124 C GLY B 216 13.905 34.666 -8.571 1.00 0.00 C ATOM 2125 O GLY B 216 13.495 35.684 -9.121 1.00 0.00 O ATOM 0 H GLY B 216 15.732 33.118 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY B 216 13.773 35.196 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY B 216 15.385 35.328 -7.184 1.00 0.00 H new ATOM 2129 N LEU B 217 13.872 33.460 -9.149 1.00 0.00 N ATOM 2130 CA LEU B 217 13.267 33.265 -10.457 1.00 0.00 C ATOM 2131 C LEU B 217 11.792 33.344 -10.252 1.00 0.00 C ATOM 2132 O LEU B 217 11.057 33.918 -11.043 1.00 0.00 O ATOM 2133 CB LEU B 217 13.529 31.860 -10.994 1.00 0.00 C ATOM 2134 CG LEU B 217 14.921 31.282 -10.863 1.00 0.00 C ATOM 2135 CD1 LEU B 217 14.954 29.947 -11.512 1.00 0.00 C ATOM 2136 CD2 LEU B 217 15.952 32.165 -11.482 1.00 0.00 C ATOM 0 H LEU B 217 14.256 32.614 -8.729 1.00 0.00 H new ATOM 0 HA LEU B 217 13.672 34.004 -11.148 1.00 0.00 H new ATOM 0 HB2 LEU B 217 12.840 31.180 -10.493 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.267 31.856 -12.052 1.00 0.00 H new ATOM 0 HG LEU B 217 15.155 31.197 -9.802 1.00 0.00 H new ATOM 0 HD11 LEU B 217 15.954 29.523 -11.422 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.236 29.288 -11.025 1.00 0.00 H new ATOM 0 HD13 LEU B 217 14.696 30.049 -12.566 1.00 0.00 H new ATOM 0 HD21 LEU B 217 16.937 31.712 -11.365 1.00 0.00 H new ATOM 0 HD22 LEU B 217 15.734 32.291 -12.543 1.00 0.00 H new ATOM 0 HD23 LEU B 217 15.940 33.138 -10.991 1.00 0.00 H new ATOM 2148 N LEU B 218 11.397 32.769 -9.132 1.00 0.00 N ATOM 2149 CA LEU B 218 10.037 32.605 -8.707 1.00 0.00 C ATOM 2150 C LEU B 218 9.208 33.892 -8.840 1.00 0.00 C ATOM 2151 O LEU B 218 8.098 33.857 -9.361 1.00 0.00 O ATOM 2152 CB LEU B 218 10.032 32.091 -7.263 1.00 0.00 C ATOM 2153 CG LEU B 218 9.166 30.834 -7.002 1.00 0.00 C ATOM 2154 CD1 LEU B 218 7.726 31.066 -7.386 1.00 0.00 C ATOM 2155 CD2 LEU B 218 9.702 29.638 -7.760 1.00 0.00 C ATOM 0 H LEU B 218 12.063 32.384 -8.462 1.00 0.00 H new ATOM 0 HA LEU B 218 9.560 31.879 -9.365 1.00 0.00 H new ATOM 0 HB2 LEU B 218 11.059 31.869 -6.972 1.00 0.00 H new ATOM 0 HB3 LEU B 218 9.682 32.893 -6.612 1.00 0.00 H new ATOM 0 HG LEU B 218 9.214 30.631 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU B 218 7.147 30.164 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU B 218 7.322 31.891 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU B 218 7.667 31.311 -8.446 1.00 0.00 H new ATOM 0 HD21 LEU B 218 9.075 28.769 -7.559 1.00 0.00 H new ATOM 0 HD22 LEU B 218 9.694 29.851 -8.829 1.00 0.00 H new ATOM 0 HD23 LEU B 218 10.723 29.431 -7.439 1.00 0.00 H new ATOM 2167 N GLU B 219 9.764 35.020 -8.428 1.00 0.00 N ATOM 2168 CA GLU B 219 9.039 36.291 -8.500 1.00 0.00 C ATOM 2169 C GLU B 219 8.822 36.744 -9.958 1.00 0.00 C ATOM 2170 O GLU B 219 7.806 37.359 -10.282 1.00 0.00 O ATOM 2171 CB GLU B 219 9.769 37.391 -7.734 1.00 0.00 C ATOM 2172 CG GLU B 219 11.152 37.698 -8.267 1.00 0.00 C ATOM 2173 CD GLU B 219 11.709 38.971 -7.721 1.00 0.00 C ATOM 2174 OE1 GLU B 219 11.426 40.040 -8.280 1.00 0.00 O ATOM 2175 OE2 GLU B 219 12.473 38.923 -6.745 1.00 0.00 O1- ATOM 0 H GLU B 219 10.706 35.088 -8.043 1.00 0.00 H new ATOM 0 HA GLU B 219 8.066 36.119 -8.039 1.00 0.00 H new ATOM 0 HB2 GLU B 219 9.169 38.300 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU B 219 9.851 37.098 -6.687 1.00 0.00 H new ATOM 0 HG2 GLU B 219 11.824 36.876 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU B 219 11.113 37.760 -9.355 1.00 0.00 H new ATOM 2182 N LEU B 220 9.768 36.416 -10.818 1.00 0.00 N ATOM 2183 CA LEU B 220 9.730 36.830 -12.208 1.00 0.00 C ATOM 2184 C LEU B 220 8.793 35.945 -12.994 1.00 0.00 C ATOM 2185 O LEU B 220 8.155 36.393 -13.951 1.00 0.00 O ATOM 2186 CB LEU B 220 11.134 36.784 -12.823 1.00 0.00 C ATOM 2187 CG LEU B 220 12.191 37.692 -12.178 1.00 0.00 C ATOM 2188 CD1 LEU B 220 13.543 37.480 -12.838 1.00 0.00 C ATOM 2189 CD2 LEU B 220 11.780 39.157 -12.273 1.00 0.00 C ATOM 0 H LEU B 220 10.584 35.855 -10.573 1.00 0.00 H new ATOM 0 HA LEU B 220 9.365 37.856 -12.249 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.493 35.756 -12.778 1.00 0.00 H new ATOM 0 HB3 LEU B 220 11.054 37.048 -13.878 1.00 0.00 H new ATOM 0 HG LEU B 220 12.269 37.427 -11.124 1.00 0.00 H new ATOM 0 HD11 LEU B 220 14.282 38.130 -12.370 1.00 0.00 H new ATOM 0 HD12 LEU B 220 13.847 36.440 -12.718 1.00 0.00 H new ATOM 0 HD13 LEU B 220 13.471 37.717 -13.899 1.00 0.00 H new ATOM 0 HD21 LEU B 220 12.545 39.780 -11.809 1.00 0.00 H new ATOM 0 HD22 LEU B 220 11.670 39.437 -13.321 1.00 0.00 H new ATOM 0 HD23 LEU B 220 10.831 39.303 -11.757 1.00 0.00 H new ATOM 2201 N GLU B 221 8.712 34.702 -12.594 1.00 0.00 N ATOM 2202 CA GLU B 221 7.857 33.738 -13.257 1.00 0.00 C ATOM 2203 C GLU B 221 6.420 33.924 -12.806 1.00 0.00 C ATOM 2204 O GLU B 221 5.496 33.943 -13.634 1.00 0.00 O ATOM 2205 CB GLU B 221 8.323 32.318 -12.939 1.00 0.00 C ATOM 2206 CG GLU B 221 9.780 32.064 -13.274 1.00 0.00 C ATOM 2207 CD GLU B 221 10.097 32.297 -14.724 1.00 0.00 C ATOM 2208 OE1 GLU B 221 9.917 31.372 -15.531 1.00 0.00 O ATOM 2209 OE2 GLU B 221 10.558 33.387 -15.075 1.00 0.00 O1- ATOM 0 H GLU B 221 9.233 34.326 -11.802 1.00 0.00 H new ATOM 0 HA GLU B 221 7.915 33.896 -14.334 1.00 0.00 H new ATOM 0 HB2 GLU B 221 8.164 32.122 -11.879 1.00 0.00 H new ATOM 0 HB3 GLU B 221 7.704 31.610 -13.490 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.407 32.713 -12.662 1.00 0.00 H new ATOM 0 HG3 GLU B 221 10.034 31.037 -13.013 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.195 24.071 -0.088 1.00 0.00 N ATOM 2462 CA PRO C 315 -2.820 24.591 -0.011 1.00 0.00 C ATOM 2463 C PRO C 315 -2.171 24.409 1.357 1.00 0.00 C ATOM 2464 O PRO C 315 -2.841 24.482 2.405 1.00 0.00 O ATOM 2465 CB PRO C 315 -2.969 26.095 -0.298 1.00 0.00 C ATOM 2466 CG PRO C 315 -4.333 26.264 -0.851 1.00 0.00 C ATOM 2467 CD PRO C 315 -5.160 25.172 -0.255 1.00 0.00 C ATOM 0 HA PRO C 315 -2.178 24.055 -0.710 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -2.840 26.682 0.611 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -2.214 26.435 -1.007 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.738 27.243 -0.596 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -4.324 26.196 -1.939 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -5.597 25.472 0.697 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -5.985 24.889 -0.909 1.00 0.00 H new ATOM 2475 N GLY C 316 -0.874 24.190 1.336 1.00 0.00 N ATOM 2476 CA GLY C 316 -0.105 24.053 2.548 1.00 0.00 C ATOM 2477 C GLY C 316 0.390 25.404 3.038 1.00 0.00 C ATOM 2478 O GLY C 316 0.102 26.445 2.424 1.00 0.00 O ATOM 0 H GLY C 316 -0.327 24.103 0.480 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -0.717 23.585 3.319 1.00 0.00 H new ATOM 0 HA3 GLY C 316 0.745 23.393 2.371 1.00 0.00 H new ATOM 2482 N SER C 317 1.135 25.408 4.106 1.00 0.00 N ATOM 2483 CA SER C 317 1.620 26.640 4.701 1.00 0.00 C ATOM 2484 C SER C 317 2.962 27.051 4.089 1.00 0.00 C ATOM 2485 O SER C 317 3.412 28.183 4.240 1.00 0.00 O ATOM 2486 CB SER C 317 1.755 26.424 6.182 1.00 0.00 C ATOM 2487 OG SER C 317 0.618 25.722 6.662 1.00 0.00 O ATOM 0 H SER C 317 1.428 24.563 4.596 1.00 0.00 H new ATOM 0 HA SER C 317 0.915 27.448 4.505 1.00 0.00 H new ATOM 0 HB2 SER C 317 2.662 25.859 6.397 1.00 0.00 H new ATOM 0 HB3 SER C 317 1.847 27.382 6.693 1.00 0.00 H new ATOM 0 HG SER C 317 0.725 24.764 6.484 1.00 0.00 H new ATOM 2493 N ARG C 318 3.584 26.113 3.401 1.00 0.00 N ATOM 2494 CA ARG C 318 4.850 26.339 2.682 1.00 0.00 C ATOM 2495 C ARG C 318 4.645 27.345 1.540 1.00 0.00 C ATOM 2496 O ARG C 318 5.595 27.968 1.058 1.00 0.00 O ATOM 2497 CB ARG C 318 5.311 25.026 2.054 1.00 0.00 C ATOM 2498 CG ARG C 318 5.501 23.865 3.011 1.00 0.00 C ATOM 2499 CD ARG C 318 6.833 23.887 3.749 1.00 0.00 C ATOM 2500 NE ARG C 318 7.060 25.026 4.657 1.00 0.00 N ATOM 2501 CZ ARG C 318 6.885 24.968 5.982 1.00 0.00 C ATOM 2502 NH1 ARG C 318 5.859 24.291 6.492 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 7.623 25.718 6.788 1.00 0.00 N ATOM 0 H ARG C 318 3.232 25.159 3.317 1.00 0.00 H new ATOM 0 HA ARG C 318 5.585 26.720 3.391 1.00 0.00 H new ATOM 0 HB2 ARG C 318 4.584 24.733 1.297 1.00 0.00 H new ATOM 0 HB3 ARG C 318 6.254 25.204 1.538 1.00 0.00 H new ATOM 0 HG2 ARG C 318 4.692 23.872 3.741 1.00 0.00 H new ATOM 0 HG3 ARG C 318 5.420 22.931 2.455 1.00 0.00 H new ATOM 0 HD2 ARG C 318 6.919 22.967 4.327 1.00 0.00 H new ATOM 0 HD3 ARG C 318 7.634 23.875 3.009 1.00 0.00 H new ATOM 0 HE ARG C 318 7.368 25.910 4.251 1.00 0.00 H new ATOM 0 HH11 ARG C 318 5.204 23.815 5.872 1.00 0.00 H new ATOM 0 HH12 ARG C 318 5.728 24.248 7.503 1.00 0.00 H new ATOM 0 HH21 ARG C 318 8.329 26.343 6.399 1.00 0.00 H new ATOM 0 HH22 ARG C 318 7.485 25.670 7.798 1.00 0.00 H new ATOM 2517 N TRP C 319 3.407 27.478 1.123 1.00 0.00 N ATOM 2518 CA TRP C 319 3.034 28.302 0.001 1.00 0.00 C ATOM 2519 C TRP C 319 3.040 29.767 0.385 1.00 0.00 C ATOM 2520 O TRP C 319 2.664 30.125 1.503 1.00 0.00 O ATOM 2521 CB TRP C 319 1.652 27.860 -0.502 1.00 0.00 C ATOM 2522 CG TRP C 319 1.138 28.612 -1.682 1.00 0.00 C ATOM 2523 CD1 TRP C 319 1.786 28.839 -2.858 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -0.155 29.196 -1.813 1.00 0.00 C ATOM 2525 NE1 TRP C 319 0.987 29.557 -3.699 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -0.218 29.783 -3.085 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -1.266 29.281 -0.974 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -1.347 30.451 -3.541 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -2.387 29.937 -1.427 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -2.420 30.515 -2.698 1.00 0.00 C ATOM 0 H TRP C 319 2.617 27.007 1.564 1.00 0.00 H new ATOM 0 HA TRP C 319 3.760 28.179 -0.802 1.00 0.00 H new ATOM 0 HB2 TRP C 319 1.697 26.801 -0.757 1.00 0.00 H new ATOM 0 HB3 TRP C 319 0.936 27.961 0.314 1.00 0.00 H new ATOM 0 HD1 TRP C 319 2.785 28.501 -3.091 1.00 0.00 H new ATOM 0 HE1 TRP C 319 1.244 29.874 -4.634 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -1.247 28.840 0.012 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -1.375 30.902 -4.522 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -3.256 30.006 -0.789 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -3.315 31.025 -3.022 1.00 0.00 H new ATOM 2541 N ASP C 320 3.467 30.611 -0.534 1.00 0.00 N ATOM 2542 CA ASP C 320 3.526 32.034 -0.270 1.00 0.00 C ATOM 2543 C ASP C 320 2.193 32.676 -0.645 1.00 0.00 C ATOM 2544 O ASP C 320 1.309 32.859 0.196 1.00 0.00 O ATOM 2545 CB ASP C 320 4.695 32.690 -1.043 1.00 0.00 C ATOM 2546 CG ASP C 320 4.869 34.174 -0.748 1.00 0.00 C ATOM 2547 OD1 ASP C 320 4.189 35.003 -1.381 1.00 0.00 O1- ATOM 2548 OD2 ASP C 320 5.708 34.523 0.112 1.00 0.00 O ATOM 0 H ASP C 320 3.777 30.337 -1.466 1.00 0.00 H new ATOM 0 HA ASP C 320 3.708 32.192 0.793 1.00 0.00 H new ATOM 0 HB2 ASP C 320 5.620 32.169 -0.796 1.00 0.00 H new ATOM 0 HB3 ASP C 320 4.531 32.558 -2.112 1.00 0.00 H new ATOM 2553 N GLY C 321 2.040 32.959 -1.901 1.00 0.00 N ATOM 2554 CA GLY C 321 0.833 33.532 -2.408 1.00 0.00 C ATOM 2555 C GLY C 321 0.957 33.685 -3.880 1.00 0.00 C ATOM 2556 O GLY C 321 0.573 34.693 -4.463 1.00 0.00 O ATOM 0 H GLY C 321 2.756 32.797 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -0.018 32.896 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY C 321 0.650 34.500 -1.942 1.00 0.00 H new