USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=29 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 146:sc= 0.389 USER MOD Set 1.2: A 99 TYR OH : rot -61:sc= 0.61 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 71 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 10 ASN : amide:sc= -0.686 K(o=-0.69,f=-1.7) USER MOD Single : A 12 TYR OH : rot 23:sc= 1.27 USER MOD Single : A 14 TYR OH : rot -35:sc= 0.493 USER MOD Single : A 17 ASN : amide:sc= 0.572 K(o=0.57,f=-0.072) USER MOD Single : A 19 ASN : amide:sc= -1.8! C(o=-1.8!,f=-2.7!) USER MOD Single : A 23 THR OG1 : rot -100:sc= 0.597 USER MOD Single : A 29 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 32 SER OG : rot 67:sc= -1.54! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.118 X(o=0.12,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -161:sc= -0.362 USER MOD Single : A 52 GLN : amide:sc= 0.649 K(o=0.65,f=-2.4) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.311 K(o=0.31,f=-1.9!) USER MOD Single : A 64 SER OG : rot -127:sc= 1.09 USER MOD Single : A 65 THR OG1 : rot 89:sc= 0.858 USER MOD Single : A 73 ASN : amide:sc= -0.145 K(o=-0.14,f=-1) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.072) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 0.54 (180deg=0.518) USER MOD Single : A 86 HIS : no HE2:sc= -0.572 K(o=-0.57,f=-1.8) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 155:sc= -0.06 (180deg=-0.472) USER MOD Single : A 94 SER OG : rot 180:sc= 0.012 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.332 F(o=-1.8!,f=-0.33) USER MOD Single : A 97 LYS NZ :NH3+ 143:sc= 1.25 (180deg=1.03) USER MOD Single : A 98 TYR OH : rot 82:sc= 1.79 USER MOD Single : A 103 LYS NZ :NH3+ -106:sc= 0.72 (180deg=-0.895!) USER MOD Single : B 209 MET CE :methyl -130:sc= 0 (180deg=-0.194) USER MOD Single : B 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 SER OG : rot -60:sc= 1.17 USER MOD Single : C 317 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 3.114 4.155 -6.628 1.00 0.00 N ATOM 129 CA ASN A 10 4.328 4.900 -6.234 1.00 0.00 C ATOM 130 C ASN A 10 4.059 6.397 -6.024 1.00 0.00 C ATOM 131 O ASN A 10 3.785 7.148 -6.965 1.00 0.00 O ATOM 132 CB ASN A 10 5.530 4.626 -7.189 1.00 0.00 C ATOM 133 CG ASN A 10 5.389 5.096 -8.648 1.00 0.00 C ATOM 134 OD1 ASN A 10 6.381 5.314 -9.325 1.00 0.00 O ATOM 135 ND2 ASN A 10 4.189 5.302 -9.118 1.00 0.00 N ATOM 0 HA ASN A 10 4.625 4.512 -5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.414 5.102 -6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.718 3.552 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.067 5.652 -10.068 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.374 5.113 -8.535 1.00 0.00 H new ATOM 142 N ALA A 11 4.110 6.792 -4.760 1.00 0.00 N ATOM 143 CA ALA A 11 3.815 8.153 -4.337 1.00 0.00 C ATOM 144 C ALA A 11 5.029 9.066 -4.430 1.00 0.00 C ATOM 145 O ALA A 11 4.913 10.272 -4.269 1.00 0.00 O ATOM 146 CB ALA A 11 3.275 8.138 -2.922 1.00 0.00 C ATOM 0 H ALA A 11 4.360 6.170 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 11 3.064 8.556 -5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.054 9.158 -2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.363 7.542 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.018 7.704 -2.253 1.00 0.00 H new ATOM 152 N TYR A 12 6.193 8.489 -4.647 1.00 0.00 N ATOM 153 CA TYR A 12 7.380 9.283 -4.838 1.00 0.00 C ATOM 154 C TYR A 12 7.415 9.784 -6.251 1.00 0.00 C ATOM 155 O TYR A 12 7.237 9.016 -7.210 1.00 0.00 O ATOM 156 CB TYR A 12 8.667 8.520 -4.499 1.00 0.00 C ATOM 157 CG TYR A 12 9.183 8.737 -3.093 1.00 0.00 C ATOM 158 CD1 TYR A 12 9.989 9.833 -2.806 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.889 7.856 -2.060 1.00 0.00 C ATOM 160 CE1 TYR A 12 10.486 10.050 -1.539 1.00 0.00 C ATOM 161 CE2 TYR A 12 9.389 8.065 -0.782 1.00 0.00 C ATOM 162 CZ TYR A 12 10.187 9.168 -0.528 1.00 0.00 C ATOM 163 OH TYR A 12 10.699 9.382 0.740 1.00 0.00 O ATOM 0 H TYR A 12 6.338 7.480 -4.695 1.00 0.00 H new ATOM 0 HA TYR A 12 7.335 10.123 -4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.490 7.454 -4.645 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.444 8.814 -5.205 1.00 0.00 H new ATOM 0 HD1 TYR A 12 10.231 10.530 -3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.263 6.997 -2.254 1.00 0.00 H new ATOM 0 HE1 TYR A 12 11.108 10.910 -1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 12 9.157 7.370 0.011 1.00 0.00 H new ATOM 0 HH TYR A 12 10.927 10.329 0.845 1.00 0.00 H new ATOM 173 N ILE A 13 7.577 11.050 -6.397 1.00 0.00 N ATOM 174 CA ILE A 13 7.608 11.623 -7.689 1.00 0.00 C ATOM 175 C ILE A 13 8.939 12.248 -7.995 1.00 0.00 C ATOM 176 O ILE A 13 9.583 12.866 -7.129 1.00 0.00 O ATOM 177 CB ILE A 13 6.437 12.602 -7.940 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.410 13.729 -6.890 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.129 11.825 -7.947 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.264 14.706 -7.042 1.00 0.00 C ATOM 0 H ILE A 13 7.691 11.712 -5.629 1.00 0.00 H new ATOM 0 HA ILE A 13 7.471 10.800 -8.390 1.00 0.00 H new ATOM 0 HB ILE A 13 6.576 13.078 -8.910 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.359 13.281 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.349 14.280 -6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.300 12.510 -8.124 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.155 11.076 -8.738 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.994 11.332 -6.984 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.326 15.464 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.323 15.186 -8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.317 14.173 -6.956 1.00 0.00 H new ATOM 192 N TYR A 14 9.350 12.036 -9.207 1.00 0.00 N ATOM 193 CA TYR A 14 10.575 12.536 -9.750 1.00 0.00 C ATOM 194 C TYR A 14 10.363 13.929 -10.225 1.00 0.00 C ATOM 195 O TYR A 14 9.396 14.198 -10.909 1.00 0.00 O ATOM 196 CB TYR A 14 11.004 11.654 -10.937 1.00 0.00 C ATOM 197 CG TYR A 14 12.037 12.272 -11.857 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.364 12.385 -11.479 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.668 12.737 -13.119 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.294 12.941 -12.327 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.586 13.296 -13.971 1.00 0.00 C ATOM 202 CZ TYR A 14 13.903 13.394 -13.570 1.00 0.00 C ATOM 203 OH TYR A 14 14.836 13.933 -14.417 1.00 0.00 O ATOM 0 H TYR A 14 8.815 11.483 -9.876 1.00 0.00 H new ATOM 0 HA TYR A 14 11.351 12.520 -8.985 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.401 10.716 -10.548 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.119 11.406 -11.524 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.673 12.032 -10.506 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.638 12.655 -13.432 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.326 13.022 -12.021 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.282 13.655 -14.943 1.00 0.00 H new ATOM 0 HH TYR A 14 15.502 14.429 -13.897 1.00 0.00 H new ATOM 213 N ILE A 15 11.234 14.795 -9.860 1.00 0.00 N ATOM 214 CA ILE A 15 11.196 16.136 -10.325 1.00 0.00 C ATOM 215 C ILE A 15 12.525 16.364 -11.026 1.00 0.00 C ATOM 216 O ILE A 15 13.579 16.111 -10.444 1.00 0.00 O ATOM 217 CB ILE A 15 11.068 17.134 -9.157 1.00 0.00 C ATOM 218 CG1 ILE A 15 10.044 16.631 -8.128 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.612 18.478 -9.711 1.00 0.00 C ATOM 220 CD1 ILE A 15 10.011 17.435 -6.852 1.00 0.00 C ATOM 0 H ILE A 15 12.004 14.593 -9.222 1.00 0.00 H new ATOM 0 HA ILE A 15 10.338 16.290 -10.979 1.00 0.00 H new ATOM 0 HB ILE A 15 12.034 17.235 -8.663 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.052 16.646 -8.580 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.268 15.592 -7.885 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.517 19.195 -8.895 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.345 18.843 -10.431 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.647 18.360 -10.204 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.263 17.017 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.990 17.400 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.755 18.470 -7.080 1.00 0.00 H new ATOM 232 N GLY A 16 12.497 16.786 -12.248 1.00 0.00 N ATOM 233 CA GLY A 16 13.724 16.951 -12.966 1.00 0.00 C ATOM 234 C GLY A 16 13.693 18.090 -13.928 1.00 0.00 C ATOM 235 O GLY A 16 12.639 18.716 -14.131 1.00 0.00 O ATOM 0 H GLY A 16 11.651 17.021 -12.767 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.535 17.106 -12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.947 16.032 -13.508 1.00 0.00 H new ATOM 239 N ASN A 17 14.864 18.372 -14.503 1.00 0.00 N ATOM 240 CA ASN A 17 15.076 19.437 -15.494 1.00 0.00 C ATOM 241 C ASN A 17 14.905 20.811 -14.827 1.00 0.00 C ATOM 242 O ASN A 17 14.554 21.809 -15.449 1.00 0.00 O ATOM 243 CB ASN A 17 14.152 19.238 -16.733 1.00 0.00 C ATOM 244 CG ASN A 17 14.525 20.106 -17.937 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.391 19.736 -18.745 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.860 21.209 -18.107 1.00 0.00 N ATOM 0 H ASN A 17 15.716 17.854 -14.289 1.00 0.00 H new ATOM 0 HA ASN A 17 16.098 19.387 -15.871 1.00 0.00 H new ATOM 0 HB2 ASN A 17 14.183 18.190 -17.031 1.00 0.00 H new ATOM 0 HB3 ASN A 17 13.124 19.458 -16.445 1.00 0.00 H new ATOM 0 HD21 ASN A 17 14.044 21.795 -18.921 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.154 21.489 -17.426 1.00 0.00 H new ATOM 253 N LEU A 18 15.210 20.847 -13.549 1.00 0.00 N ATOM 254 CA LEU A 18 15.164 22.071 -12.784 1.00 0.00 C ATOM 255 C LEU A 18 16.400 22.882 -13.022 1.00 0.00 C ATOM 256 O LEU A 18 17.418 22.384 -13.543 1.00 0.00 O ATOM 257 CB LEU A 18 15.007 21.815 -11.266 1.00 0.00 C ATOM 258 CG LEU A 18 13.584 21.669 -10.719 1.00 0.00 C ATOM 259 CD1 LEU A 18 12.844 20.552 -11.397 1.00 0.00 C ATOM 260 CD2 LEU A 18 13.622 21.447 -9.212 1.00 0.00 C ATOM 0 H LEU A 18 15.497 20.029 -13.012 1.00 0.00 H new ATOM 0 HA LEU A 18 14.285 22.619 -13.124 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.558 20.907 -11.019 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.490 22.635 -10.734 1.00 0.00 H new ATOM 0 HG LEU A 18 13.047 22.594 -10.929 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.838 20.478 -10.983 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.783 20.753 -12.467 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.373 19.613 -11.234 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.605 21.345 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.184 20.539 -8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.104 22.298 -8.731 1.00 0.00 H new ATOM 272 N ASN A 19 16.311 24.124 -12.679 1.00 0.00 N ATOM 273 CA ASN A 19 17.419 25.030 -12.762 1.00 0.00 C ATOM 274 C ASN A 19 18.429 24.675 -11.689 1.00 0.00 C ATOM 275 O ASN A 19 18.120 23.936 -10.746 1.00 0.00 O ATOM 276 CB ASN A 19 16.945 26.451 -12.539 1.00 0.00 C ATOM 277 CG ASN A 19 16.010 26.985 -13.582 1.00 0.00 C ATOM 278 OD1 ASN A 19 14.818 26.770 -13.501 1.00 0.00 O ATOM 279 ND2 ASN A 19 16.527 27.731 -14.528 1.00 0.00 N ATOM 0 H ASN A 19 15.454 24.550 -12.327 1.00 0.00 H new ATOM 0 HA ASN A 19 17.873 24.952 -13.750 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.450 26.503 -11.569 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.817 27.104 -12.487 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.922 28.155 -15.231 1.00 0.00 H new ATOM 0 HD22 ASN A 19 17.534 27.887 -14.561 1.00 0.00 H new ATOM 286 N ARG A 20 19.591 25.220 -11.800 1.00 0.00 N ATOM 287 CA ARG A 20 20.665 24.947 -10.880 1.00 0.00 C ATOM 288 C ARG A 20 20.455 25.775 -9.605 1.00 0.00 C ATOM 289 O ARG A 20 20.934 25.431 -8.530 1.00 0.00 O ATOM 290 CB ARG A 20 21.991 25.311 -11.561 1.00 0.00 C ATOM 291 CG ARG A 20 23.250 24.938 -10.798 1.00 0.00 C ATOM 292 CD ARG A 20 23.372 23.446 -10.593 1.00 0.00 C ATOM 293 NE ARG A 20 23.254 22.666 -11.836 1.00 0.00 N ATOM 294 CZ ARG A 20 23.731 21.417 -12.008 1.00 0.00 C ATOM 295 NH1 ARG A 20 24.565 20.871 -11.117 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 23.408 20.746 -13.104 1.00 0.00 N ATOM 0 H ARG A 20 19.836 25.879 -12.539 1.00 0.00 H new ATOM 0 HA ARG A 20 20.685 23.892 -10.605 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.022 24.825 -12.536 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.003 26.386 -11.740 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.123 25.301 -11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.247 25.437 -9.829 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.334 23.230 -10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.601 23.120 -9.895 1.00 0.00 H new ATOM 0 HE ARG A 20 22.776 23.103 -12.625 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.849 21.401 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.917 19.925 -11.261 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.805 21.175 -13.806 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.762 19.800 -13.246 1.00 0.00 H new ATOM 310 N GLU A 21 19.731 26.854 -9.753 1.00 0.00 N ATOM 311 CA GLU A 21 19.426 27.773 -8.676 1.00 0.00 C ATOM 312 C GLU A 21 18.145 27.405 -7.886 1.00 0.00 C ATOM 313 O GLU A 21 17.813 28.069 -6.914 1.00 0.00 O ATOM 314 CB GLU A 21 19.364 29.241 -9.192 1.00 0.00 C ATOM 315 CG GLU A 21 18.581 29.470 -10.485 1.00 0.00 C ATOM 316 CD GLU A 21 19.360 29.160 -11.759 1.00 0.00 C ATOM 317 OE1 GLU A 21 19.455 27.993 -12.148 1.00 0.00 O1- ATOM 318 OE2 GLU A 21 19.883 30.094 -12.391 1.00 0.00 O ATOM 0 H GLU A 21 19.325 27.129 -10.647 1.00 0.00 H new ATOM 0 HA GLU A 21 20.249 27.684 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.924 29.860 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.384 29.595 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.682 28.854 -10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.254 30.509 -10.518 1.00 0.00 H new ATOM 325 N LEU A 22 17.451 26.348 -8.293 1.00 0.00 N ATOM 326 CA LEU A 22 16.224 25.933 -7.594 1.00 0.00 C ATOM 327 C LEU A 22 16.529 25.003 -6.434 1.00 0.00 C ATOM 328 O LEU A 22 17.206 23.970 -6.594 1.00 0.00 O ATOM 329 CB LEU A 22 15.205 25.289 -8.547 1.00 0.00 C ATOM 330 CG LEU A 22 14.545 26.233 -9.557 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.673 25.473 -10.529 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.702 27.260 -8.840 1.00 0.00 C ATOM 0 H LEU A 22 17.706 25.765 -9.091 1.00 0.00 H new ATOM 0 HA LEU A 22 15.774 26.841 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.704 24.491 -9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.422 24.822 -7.949 1.00 0.00 H new ATOM 0 HG LEU A 22 15.341 26.729 -10.112 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.219 26.171 -11.233 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.280 24.751 -11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.890 24.948 -9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.239 27.924 -9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.926 26.756 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.332 27.842 -8.168 1.00 0.00 H new ATOM 344 N THR A 23 16.094 25.398 -5.274 1.00 0.00 N ATOM 345 CA THR A 23 16.284 24.639 -4.078 1.00 0.00 C ATOM 346 C THR A 23 14.925 24.091 -3.529 1.00 0.00 C ATOM 347 O THR A 23 13.870 24.280 -4.142 1.00 0.00 O ATOM 348 CB THR A 23 17.094 25.472 -3.034 1.00 0.00 C ATOM 349 OG1 THR A 23 17.289 24.772 -1.800 1.00 0.00 O ATOM 350 CG2 THR A 23 16.438 26.779 -2.744 1.00 0.00 C ATOM 0 H THR A 23 15.588 26.273 -5.132 1.00 0.00 H new ATOM 0 HA THR A 23 16.881 23.756 -4.304 1.00 0.00 H new ATOM 0 HB THR A 23 18.067 25.644 -3.493 1.00 0.00 H new ATOM 0 HG1 THR A 23 16.640 25.089 -1.138 1.00 0.00 H new ATOM 0 HG21 THR A 23 17.031 27.330 -2.014 1.00 0.00 H new ATOM 0 HG22 THR A 23 16.363 27.360 -3.663 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.440 26.604 -2.343 1.00 0.00 H new ATOM 358 N GLU A 24 14.973 23.442 -2.365 1.00 0.00 N ATOM 359 CA GLU A 24 13.817 22.795 -1.705 1.00 0.00 C ATOM 360 C GLU A 24 12.685 23.775 -1.464 1.00 0.00 C ATOM 361 O GLU A 24 11.511 23.433 -1.626 1.00 0.00 O ATOM 362 CB GLU A 24 14.261 22.258 -0.365 1.00 0.00 C ATOM 363 CG GLU A 24 15.418 21.315 -0.462 1.00 0.00 C ATOM 364 CD GLU A 24 16.367 21.520 0.657 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.893 22.647 0.774 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 16.644 20.590 1.399 1.00 0.00 O ATOM 0 H GLU A 24 15.838 23.344 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 24 13.458 22.001 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.534 23.092 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.423 21.747 0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.055 20.287 -0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.933 21.462 -1.411 1.00 0.00 H new ATOM 373 N GLY A 25 13.052 24.998 -1.097 1.00 0.00 N ATOM 374 CA GLY A 25 12.079 26.024 -0.793 1.00 0.00 C ATOM 375 C GLY A 25 11.220 26.345 -1.986 1.00 0.00 C ATOM 376 O GLY A 25 10.013 26.556 -1.855 1.00 0.00 O ATOM 0 H GLY A 25 14.023 25.297 -1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.448 25.694 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.593 26.926 -0.461 1.00 0.00 H new ATOM 380 N ASP A 26 11.823 26.316 -3.153 1.00 0.00 N ATOM 381 CA ASP A 26 11.116 26.603 -4.403 1.00 0.00 C ATOM 382 C ASP A 26 10.152 25.509 -4.691 1.00 0.00 C ATOM 383 O ASP A 26 8.985 25.742 -5.017 1.00 0.00 O ATOM 384 CB ASP A 26 12.083 26.683 -5.562 1.00 0.00 C ATOM 385 CG ASP A 26 13.078 27.757 -5.389 1.00 0.00 C ATOM 386 OD1 ASP A 26 12.712 28.928 -5.540 1.00 0.00 O ATOM 387 OD2 ASP A 26 14.246 27.455 -5.108 1.00 0.00 O1- ATOM 0 H ASP A 26 12.811 26.095 -3.274 1.00 0.00 H new ATOM 0 HA ASP A 26 10.602 27.557 -4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.598 25.728 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.527 26.851 -6.485 1.00 0.00 H new ATOM 392 N ILE A 27 10.648 24.314 -4.534 1.00 0.00 N ATOM 393 CA ILE A 27 9.916 23.095 -4.764 1.00 0.00 C ATOM 394 C ILE A 27 8.681 23.025 -3.859 1.00 0.00 C ATOM 395 O ILE A 27 7.589 22.670 -4.306 1.00 0.00 O ATOM 396 CB ILE A 27 10.859 21.896 -4.550 1.00 0.00 C ATOM 397 CG1 ILE A 27 12.019 22.024 -5.536 1.00 0.00 C ATOM 398 CG2 ILE A 27 10.126 20.579 -4.758 1.00 0.00 C ATOM 399 CD1 ILE A 27 13.173 21.111 -5.269 1.00 0.00 C ATOM 0 H ILE A 27 11.609 24.154 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 27 9.552 23.069 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 27 11.231 21.900 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.646 21.830 -6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.377 23.053 -5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.816 19.750 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.302 20.505 -4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.734 20.537 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.947 21.274 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.579 21.318 -4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.836 20.075 -5.314 1.00 0.00 H new ATOM 411 N LEU A 28 8.837 23.417 -2.613 1.00 0.00 N ATOM 412 CA LEU A 28 7.723 23.469 -1.703 1.00 0.00 C ATOM 413 C LEU A 28 6.740 24.533 -2.144 1.00 0.00 C ATOM 414 O LEU A 28 5.542 24.296 -2.181 1.00 0.00 O ATOM 415 CB LEU A 28 8.208 23.756 -0.299 1.00 0.00 C ATOM 416 CG LEU A 28 9.085 22.687 0.324 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.621 23.166 1.643 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.303 21.392 0.505 1.00 0.00 C ATOM 0 H LEU A 28 9.729 23.704 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 28 7.220 22.502 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.763 24.694 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.340 23.907 0.342 1.00 0.00 H new ATOM 0 HG LEU A 28 9.923 22.489 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.250 22.392 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.212 24.069 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.791 23.385 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.949 20.637 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.448 21.571 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.952 21.040 -0.465 1.00 0.00 H new ATOM 430 N THR A 29 7.260 25.678 -2.525 1.00 0.00 N ATOM 431 CA THR A 29 6.451 26.795 -2.966 1.00 0.00 C ATOM 432 C THR A 29 5.625 26.427 -4.234 1.00 0.00 C ATOM 433 O THR A 29 4.508 26.939 -4.437 1.00 0.00 O ATOM 434 CB THR A 29 7.354 28.043 -3.215 1.00 0.00 C ATOM 435 OG1 THR A 29 8.079 28.343 -2.014 1.00 0.00 O ATOM 436 CG2 THR A 29 6.540 29.270 -3.606 1.00 0.00 C ATOM 0 H THR A 29 8.263 25.863 -2.538 1.00 0.00 H new ATOM 0 HA THR A 29 5.737 27.039 -2.179 1.00 0.00 H new ATOM 0 HB THR A 29 8.029 27.805 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.885 27.787 -1.971 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.210 30.114 -3.769 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.987 29.063 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.840 29.512 -2.807 1.00 0.00 H new ATOM 444 N VAL A 30 6.175 25.568 -5.094 1.00 0.00 N ATOM 445 CA VAL A 30 5.439 25.124 -6.264 1.00 0.00 C ATOM 446 C VAL A 30 4.439 23.978 -5.969 1.00 0.00 C ATOM 447 O VAL A 30 3.276 24.059 -6.360 1.00 0.00 O ATOM 448 CB VAL A 30 6.328 24.829 -7.528 1.00 0.00 C ATOM 449 CG1 VAL A 30 7.150 26.045 -7.914 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.228 23.630 -7.349 1.00 0.00 C ATOM 0 H VAL A 30 7.112 25.175 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 30 4.841 25.995 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 30 5.635 24.594 -8.336 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.755 25.812 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.484 26.877 -8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.803 26.321 -7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.816 23.478 -8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.898 23.800 -6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.621 22.745 -7.157 1.00 0.00 H new ATOM 460 N PHE A 31 4.877 22.953 -5.237 1.00 0.00 N ATOM 461 CA PHE A 31 4.044 21.763 -4.977 1.00 0.00 C ATOM 462 C PHE A 31 2.966 21.969 -3.914 1.00 0.00 C ATOM 463 O PHE A 31 2.012 21.196 -3.849 1.00 0.00 O ATOM 464 CB PHE A 31 4.894 20.523 -4.642 1.00 0.00 C ATOM 465 CG PHE A 31 5.599 19.907 -5.827 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.800 20.405 -6.282 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.047 18.823 -6.480 1.00 0.00 C ATOM 468 CE1 PHE A 31 7.439 19.841 -7.366 1.00 0.00 C ATOM 469 CE2 PHE A 31 5.684 18.252 -7.566 1.00 0.00 C ATOM 470 CZ PHE A 31 6.878 18.764 -8.008 1.00 0.00 C ATOM 0 H PHE A 31 5.803 22.916 -4.811 1.00 0.00 H new ATOM 0 HA PHE A 31 3.520 21.589 -5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.639 20.800 -3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.251 19.770 -4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.248 21.251 -5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.107 18.416 -6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.379 20.246 -7.710 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.242 17.403 -8.066 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.375 18.321 -8.858 1.00 0.00 H new ATOM 480 N SER A 32 3.083 23.011 -3.109 1.00 0.00 N ATOM 481 CA SER A 32 2.091 23.261 -2.056 1.00 0.00 C ATOM 482 C SER A 32 0.718 23.683 -2.600 1.00 0.00 C ATOM 483 O SER A 32 -0.268 23.763 -1.852 1.00 0.00 O ATOM 484 CB SER A 32 2.610 24.213 -1.004 1.00 0.00 C ATOM 485 OG SER A 32 3.748 23.668 -0.372 1.00 0.00 O ATOM 0 H SER A 32 3.840 23.693 -3.155 1.00 0.00 H new ATOM 0 HA SER A 32 1.927 22.301 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.862 25.170 -1.462 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.833 24.408 -0.265 1.00 0.00 H new ATOM 0 HG SER A 32 4.485 23.615 -1.015 1.00 0.00 H new ATOM 491 N GLU A 33 0.667 23.942 -3.900 1.00 0.00 N ATOM 492 CA GLU A 33 -0.580 24.217 -4.604 1.00 0.00 C ATOM 493 C GLU A 33 -1.455 22.933 -4.572 1.00 0.00 C ATOM 494 O GLU A 33 -2.680 22.983 -4.698 1.00 0.00 O ATOM 495 CB GLU A 33 -0.243 24.599 -6.068 1.00 0.00 C ATOM 496 CG GLU A 33 -1.437 24.905 -6.980 1.00 0.00 C ATOM 497 CD GLU A 33 -2.174 26.180 -6.629 1.00 0.00 C ATOM 498 OE1 GLU A 33 -2.961 26.187 -5.674 1.00 0.00 O ATOM 499 OE2 GLU A 33 -2.009 27.182 -7.338 1.00 0.00 O1- ATOM 0 H GLU A 33 1.492 23.968 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.123 25.036 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.409 25.472 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.327 23.783 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.086 24.973 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.137 24.070 -6.937 1.00 0.00 H new ATOM 506 N TYR A 34 -0.797 21.783 -4.358 1.00 0.00 N ATOM 507 CA TYR A 34 -1.459 20.488 -4.365 1.00 0.00 C ATOM 508 C TYR A 34 -1.411 19.820 -2.991 1.00 0.00 C ATOM 509 O TYR A 34 -1.601 18.602 -2.864 1.00 0.00 O ATOM 510 CB TYR A 34 -0.848 19.601 -5.458 1.00 0.00 C ATOM 511 CG TYR A 34 -0.996 20.244 -6.809 1.00 0.00 C ATOM 512 CD1 TYR A 34 -2.214 20.216 -7.469 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.051 20.948 -7.391 1.00 0.00 C ATOM 514 CE1 TYR A 34 -2.383 20.855 -8.671 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.117 21.606 -8.587 1.00 0.00 C ATOM 516 CZ TYR A 34 -1.336 21.553 -9.223 1.00 0.00 C ATOM 517 OH TYR A 34 -1.525 22.231 -10.397 1.00 0.00 O ATOM 0 H TYR A 34 0.206 21.734 -4.177 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.514 20.637 -4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.207 19.428 -5.246 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.337 18.627 -5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.044 19.682 -7.030 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.011 20.979 -6.897 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.334 20.810 -9.181 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.701 22.160 -9.023 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.691 22.675 -10.657 1.00 0.00 H new ATOM 527 N GLY A 35 -1.194 20.621 -1.966 1.00 0.00 N ATOM 528 CA GLY A 35 -1.224 20.112 -0.618 1.00 0.00 C ATOM 529 C GLY A 35 0.013 20.472 0.153 1.00 0.00 C ATOM 530 O GLY A 35 0.689 21.439 -0.168 1.00 0.00 O ATOM 0 H GLY A 35 -0.997 21.619 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.099 20.507 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.331 19.028 -0.643 1.00 0.00 H new ATOM 534 N VAL A 36 0.303 19.712 1.170 1.00 0.00 N ATOM 535 CA VAL A 36 1.486 19.926 1.975 1.00 0.00 C ATOM 536 C VAL A 36 2.466 18.780 1.731 1.00 0.00 C ATOM 537 O VAL A 36 2.211 17.658 2.174 1.00 0.00 O ATOM 538 CB VAL A 36 1.158 19.968 3.497 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.404 20.311 4.303 1.00 0.00 C ATOM 540 CG2 VAL A 36 0.040 20.951 3.803 1.00 0.00 C ATOM 0 H VAL A 36 -0.271 18.924 1.470 1.00 0.00 H new ATOM 0 HA VAL A 36 1.912 20.887 1.687 1.00 0.00 H new ATOM 0 HB VAL A 36 0.814 18.975 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.156 20.336 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.170 19.556 4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.779 21.287 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.160 20.952 4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.339 21.951 3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.861 20.656 3.266 1.00 0.00 H new ATOM 550 N PRO A 37 3.555 19.026 0.974 1.00 0.00 N ATOM 551 CA PRO A 37 4.600 18.017 0.725 1.00 0.00 C ATOM 552 C PRO A 37 5.115 17.433 2.036 1.00 0.00 C ATOM 553 O PRO A 37 5.550 18.169 2.921 1.00 0.00 O ATOM 554 CB PRO A 37 5.699 18.821 0.036 1.00 0.00 C ATOM 555 CG PRO A 37 4.979 19.940 -0.629 1.00 0.00 C ATOM 556 CD PRO A 37 3.854 20.301 0.294 1.00 0.00 C ATOM 0 HA PRO A 37 4.244 17.172 0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.430 19.191 0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.242 18.213 -0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.641 20.791 -0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.603 19.638 -1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.147 21.076 1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.990 20.678 -0.253 1.00 0.00 H new ATOM 564 N VAL A 38 5.065 16.122 2.162 1.00 0.00 N ATOM 565 CA VAL A 38 5.401 15.498 3.426 1.00 0.00 C ATOM 566 C VAL A 38 6.845 15.067 3.470 1.00 0.00 C ATOM 567 O VAL A 38 7.446 14.927 4.551 1.00 0.00 O ATOM 568 CB VAL A 38 4.456 14.310 3.770 1.00 0.00 C ATOM 569 CG1 VAL A 38 3.014 14.762 3.663 1.00 0.00 C ATOM 570 CG2 VAL A 38 4.702 13.101 2.868 1.00 0.00 C ATOM 0 H VAL A 38 4.800 15.477 1.418 1.00 0.00 H new ATOM 0 HA VAL A 38 5.255 16.260 4.192 1.00 0.00 H new ATOM 0 HB VAL A 38 4.669 13.996 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.353 13.930 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.836 15.580 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.814 15.102 2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.020 12.296 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.530 13.381 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.731 12.762 2.987 1.00 0.00 H new ATOM 580 N ASP A 39 7.397 14.848 2.314 1.00 0.00 N ATOM 581 CA ASP A 39 8.769 14.456 2.194 1.00 0.00 C ATOM 582 C ASP A 39 9.279 15.006 0.897 1.00 0.00 C ATOM 583 O ASP A 39 8.636 14.830 -0.143 1.00 0.00 O ATOM 584 CB ASP A 39 8.873 12.925 2.227 1.00 0.00 C ATOM 585 CG ASP A 39 10.290 12.398 2.239 1.00 0.00 C ATOM 586 OD1 ASP A 39 10.908 12.372 3.331 1.00 0.00 O1- ATOM 587 OD2 ASP A 39 10.776 11.948 1.200 1.00 0.00 O ATOM 0 H ASP A 39 6.906 14.937 1.424 1.00 0.00 H new ATOM 0 HA ASP A 39 9.366 14.843 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.353 12.556 3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.354 12.518 1.359 1.00 0.00 H new ATOM 592 N VAL A 40 10.351 15.737 0.959 1.00 0.00 N ATOM 593 CA VAL A 40 10.942 16.325 -0.210 1.00 0.00 C ATOM 594 C VAL A 40 12.437 16.289 -0.065 1.00 0.00 C ATOM 595 O VAL A 40 12.969 16.469 1.033 1.00 0.00 O ATOM 596 CB VAL A 40 10.459 17.805 -0.468 1.00 0.00 C ATOM 597 CG1 VAL A 40 10.829 18.725 0.676 1.00 0.00 C ATOM 598 CG2 VAL A 40 11.021 18.360 -1.771 1.00 0.00 C ATOM 0 H VAL A 40 10.845 15.945 1.827 1.00 0.00 H new ATOM 0 HA VAL A 40 10.621 15.742 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 40 9.372 17.765 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.479 19.734 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.363 18.369 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.912 18.735 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.667 19.381 -1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.110 18.357 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.689 17.740 -2.604 1.00 0.00 H new ATOM 608 N ILE A 41 13.094 15.995 -1.135 1.00 0.00 N ATOM 609 CA ILE A 41 14.525 15.991 -1.185 1.00 0.00 C ATOM 610 C ILE A 41 14.997 16.558 -2.484 1.00 0.00 C ATOM 611 O ILE A 41 14.460 16.246 -3.550 1.00 0.00 O ATOM 612 CB ILE A 41 15.205 14.598 -0.951 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.591 13.451 -1.798 1.00 0.00 C ATOM 614 CG2 ILE A 41 15.259 14.240 0.518 1.00 0.00 C ATOM 615 CD1 ILE A 41 13.223 12.940 -1.334 1.00 0.00 C ATOM 0 H ILE A 41 12.648 15.746 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 41 14.832 16.612 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 41 16.229 14.710 -1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.499 13.794 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.289 12.614 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.737 13.268 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.832 14.995 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.247 14.198 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.889 12.141 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.303 12.558 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.502 13.757 -1.359 1.00 0.00 H new ATOM 627 N LEU A 42 15.970 17.391 -2.398 1.00 0.00 N ATOM 628 CA LEU A 42 16.562 18.003 -3.543 1.00 0.00 C ATOM 629 C LEU A 42 17.886 17.313 -3.754 1.00 0.00 C ATOM 630 O LEU A 42 18.683 17.192 -2.820 1.00 0.00 O ATOM 631 CB LEU A 42 16.703 19.539 -3.289 1.00 0.00 C ATOM 632 CG LEU A 42 17.307 20.458 -4.395 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.802 20.311 -4.503 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.663 20.206 -5.747 1.00 0.00 C ATOM 0 H LEU A 42 16.390 17.676 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 42 15.958 17.898 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.710 19.922 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.312 19.665 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 42 17.089 21.482 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.177 20.970 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.263 20.578 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 42 19.049 19.278 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 42 17.110 20.865 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.823 19.168 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.593 20.404 -5.683 1.00 0.00 H new ATOM 646 N SER A 43 18.110 16.824 -4.941 1.00 0.00 N ATOM 647 CA SER A 43 19.319 16.131 -5.227 1.00 0.00 C ATOM 648 C SER A 43 20.424 17.156 -5.457 1.00 0.00 C ATOM 649 O SER A 43 20.466 17.840 -6.492 1.00 0.00 O ATOM 650 CB SER A 43 19.137 15.194 -6.436 1.00 0.00 C ATOM 651 OG SER A 43 20.260 14.345 -6.617 1.00 0.00 O ATOM 0 H SER A 43 17.462 16.897 -5.726 1.00 0.00 H new ATOM 0 HA SER A 43 19.598 15.499 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.242 14.588 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.981 15.788 -7.336 1.00 0.00 H new ATOM 0 HG SER A 43 20.109 13.764 -7.391 1.00 0.00 H new ATOM 657 N ARG A 44 21.240 17.320 -4.453 1.00 0.00 N ATOM 658 CA ARG A 44 22.348 18.231 -4.474 1.00 0.00 C ATOM 659 C ARG A 44 23.617 17.508 -4.135 1.00 0.00 C ATOM 660 O ARG A 44 23.585 16.451 -3.488 1.00 0.00 O ATOM 661 CB ARG A 44 22.128 19.420 -3.520 1.00 0.00 C ATOM 662 CG ARG A 44 21.585 19.054 -2.140 1.00 0.00 C ATOM 663 CD ARG A 44 21.542 20.267 -1.207 1.00 0.00 C ATOM 664 NE ARG A 44 20.999 21.466 -1.863 1.00 0.00 N ATOM 665 CZ ARG A 44 19.933 22.171 -1.465 1.00 0.00 C ATOM 666 NH1 ARG A 44 19.172 21.733 -0.479 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 19.608 23.286 -2.096 1.00 0.00 N ATOM 0 H ARG A 44 21.149 16.810 -3.575 1.00 0.00 H new ATOM 0 HA ARG A 44 22.429 18.636 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.076 19.944 -3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 44 21.438 20.120 -3.991 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.583 18.638 -2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 44 22.209 18.277 -1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 44 20.934 20.028 -0.334 1.00 0.00 H new ATOM 0 HD3 ARG A 44 22.548 20.479 -0.846 1.00 0.00 H new ATOM 0 HE ARG A 44 21.481 21.791 -2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.395 20.852 -0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.361 22.275 -0.181 1.00 0.00 H new ATOM 0 HH21 ARG A 44 20.169 23.608 -2.885 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.796 23.825 -1.794 1.00 0.00 H new ATOM 681 N ASP A 45 24.715 18.058 -4.587 1.00 0.00 N ATOM 682 CA ASP A 45 26.039 17.495 -4.352 1.00 0.00 C ATOM 683 C ASP A 45 26.373 17.525 -2.888 1.00 0.00 C ATOM 684 O ASP A 45 26.138 18.514 -2.214 1.00 0.00 O ATOM 685 CB ASP A 45 27.090 18.248 -5.161 1.00 0.00 C ATOM 686 CG ASP A 45 28.473 17.728 -4.904 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.853 16.701 -5.502 1.00 0.00 O ATOM 688 OD2 ASP A 45 29.175 18.304 -4.064 1.00 0.00 O1- ATOM 0 H ASP A 45 24.725 18.918 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 45 26.035 16.455 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.861 18.161 -6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 45 27.049 19.308 -4.912 1.00 0.00 H new ATOM 693 N GLU A 46 26.949 16.454 -2.419 1.00 0.00 N ATOM 694 CA GLU A 46 27.250 16.274 -1.018 1.00 0.00 C ATOM 695 C GLU A 46 28.481 17.011 -0.555 1.00 0.00 C ATOM 696 O GLU A 46 28.834 16.951 0.629 1.00 0.00 O ATOM 697 CB GLU A 46 27.381 14.808 -0.709 1.00 0.00 C ATOM 698 CG GLU A 46 26.078 14.092 -0.691 1.00 0.00 C ATOM 699 CD GLU A 46 26.219 12.596 -0.569 1.00 0.00 C ATOM 700 OE1 GLU A 46 26.552 12.105 0.529 1.00 0.00 O1- ATOM 701 OE2 GLU A 46 26.006 11.878 -1.581 1.00 0.00 O ATOM 0 H GLU A 46 27.229 15.667 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 46 26.415 16.708 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 46 28.032 14.344 -1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.866 14.690 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 46 25.480 14.462 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 46 25.531 14.325 -1.605 1.00 0.00 H new ATOM 708 N ASN A 47 29.139 17.688 -1.440 1.00 0.00 N ATOM 709 CA ASN A 47 30.321 18.386 -1.055 1.00 0.00 C ATOM 710 C ASN A 47 30.042 19.873 -1.007 1.00 0.00 C ATOM 711 O ASN A 47 30.130 20.507 0.042 1.00 0.00 O ATOM 712 CB ASN A 47 31.493 18.127 -2.016 1.00 0.00 C ATOM 713 CG ASN A 47 31.755 16.665 -2.273 1.00 0.00 C ATOM 714 OD1 ASN A 47 32.514 16.016 -1.556 1.00 0.00 O ATOM 715 ND2 ASN A 47 31.151 16.139 -3.307 1.00 0.00 N ATOM 0 H ASN A 47 28.882 17.772 -2.423 1.00 0.00 H new ATOM 0 HA ASN A 47 30.607 18.016 -0.070 1.00 0.00 H new ATOM 0 HB2 ASN A 47 31.289 18.623 -2.965 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.395 18.582 -1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 47 31.303 15.158 -3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 47 30.528 16.710 -3.879 1.00 0.00 H new ATOM 722 N THR A 48 29.673 20.421 -2.137 1.00 0.00 N ATOM 723 CA THR A 48 29.461 21.857 -2.256 1.00 0.00 C ATOM 724 C THR A 48 27.986 22.233 -2.037 1.00 0.00 C ATOM 725 O THR A 48 27.654 23.393 -1.787 1.00 0.00 O ATOM 726 CB THR A 48 30.008 22.405 -3.618 1.00 0.00 C ATOM 727 OG1 THR A 48 29.693 23.793 -3.809 1.00 0.00 O ATOM 728 CG2 THR A 48 29.503 21.587 -4.782 1.00 0.00 C ATOM 0 H THR A 48 29.510 19.898 -2.997 1.00 0.00 H new ATOM 0 HA THR A 48 30.032 22.339 -1.462 1.00 0.00 H new ATOM 0 HB THR A 48 31.093 22.315 -3.576 1.00 0.00 H new ATOM 0 HG1 THR A 48 30.053 24.095 -4.669 1.00 0.00 H new ATOM 0 HG21 THR A 48 29.901 21.993 -5.712 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.829 20.553 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 48 28.414 21.623 -4.807 1.00 0.00 H new ATOM 736 N GLY A 49 27.109 21.256 -2.128 1.00 0.00 N ATOM 737 CA GLY A 49 25.709 21.509 -1.879 1.00 0.00 C ATOM 738 C GLY A 49 24.961 22.010 -3.080 1.00 0.00 C ATOM 739 O GLY A 49 23.774 22.318 -2.982 1.00 0.00 O ATOM 0 H GLY A 49 27.338 20.292 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.240 20.590 -1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.619 22.240 -1.075 1.00 0.00 H new ATOM 743 N GLU A 50 25.626 22.062 -4.218 1.00 0.00 N ATOM 744 CA GLU A 50 25.001 22.585 -5.404 1.00 0.00 C ATOM 745 C GLU A 50 23.978 21.608 -5.971 1.00 0.00 C ATOM 746 O GLU A 50 24.221 20.389 -6.021 1.00 0.00 O ATOM 747 CB GLU A 50 26.049 23.130 -6.428 1.00 0.00 C ATOM 748 CG GLU A 50 27.040 22.136 -7.044 1.00 0.00 C ATOM 749 CD GLU A 50 26.530 21.383 -8.244 1.00 0.00 C ATOM 750 OE1 GLU A 50 26.139 22.027 -9.240 1.00 0.00 O ATOM 751 OE2 GLU A 50 26.614 20.154 -8.259 1.00 0.00 O1- ATOM 0 H GLU A 50 26.589 21.750 -4.340 1.00 0.00 H new ATOM 0 HA GLU A 50 24.419 23.466 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.503 23.605 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.625 23.911 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.942 22.677 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.330 21.416 -6.279 1.00 0.00 H new ATOM 758 N SER A 51 22.808 22.136 -6.275 1.00 0.00 N ATOM 759 CA SER A 51 21.687 21.377 -6.791 1.00 0.00 C ATOM 760 C SER A 51 22.036 20.723 -8.123 1.00 0.00 C ATOM 761 O SER A 51 22.861 21.212 -8.834 1.00 0.00 O ATOM 762 CB SER A 51 20.505 22.329 -6.980 1.00 0.00 C ATOM 763 OG SER A 51 20.199 23.001 -5.767 1.00 0.00 O ATOM 0 H SER A 51 22.607 23.130 -6.167 1.00 0.00 H new ATOM 0 HA SER A 51 21.434 20.587 -6.084 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.740 23.058 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.633 21.770 -7.321 1.00 0.00 H new ATOM 0 HG SER A 51 19.291 23.367 -5.816 1.00 0.00 H new ATOM 769 N GLN A 52 21.433 19.599 -8.428 1.00 0.00 N ATOM 770 CA GLN A 52 21.666 18.962 -9.724 1.00 0.00 C ATOM 771 C GLN A 52 20.527 19.267 -10.670 1.00 0.00 C ATOM 772 O GLN A 52 20.567 18.933 -11.852 1.00 0.00 O ATOM 773 CB GLN A 52 21.852 17.438 -9.592 1.00 0.00 C ATOM 774 CG GLN A 52 22.986 17.047 -8.665 1.00 0.00 C ATOM 775 CD GLN A 52 24.280 17.742 -9.019 1.00 0.00 C ATOM 776 OE1 GLN A 52 24.569 18.032 -10.195 1.00 0.00 O ATOM 777 NE2 GLN A 52 25.036 18.047 -8.020 1.00 0.00 N ATOM 0 H GLN A 52 20.785 19.104 -7.815 1.00 0.00 H new ATOM 0 HA GLN A 52 22.591 19.373 -10.128 1.00 0.00 H new ATOM 0 HB2 GLN A 52 20.925 16.997 -9.226 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.038 17.015 -10.579 1.00 0.00 H new ATOM 0 HG2 GLN A 52 22.714 17.291 -7.638 1.00 0.00 H new ATOM 0 HG3 GLN A 52 23.132 15.968 -8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 52 24.759 17.789 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 52 25.911 18.546 -8.177 1.00 0.00 H new ATOM 786 N GLY A 53 19.511 19.914 -10.144 1.00 0.00 N ATOM 787 CA GLY A 53 18.346 20.219 -10.939 1.00 0.00 C ATOM 788 C GLY A 53 17.377 19.059 -10.961 1.00 0.00 C ATOM 789 O GLY A 53 16.533 18.947 -11.856 1.00 0.00 O ATOM 0 H GLY A 53 19.469 20.236 -9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 53 17.850 21.102 -10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 53 18.651 20.460 -11.957 1.00 0.00 H new ATOM 793 N PHE A 54 17.509 18.192 -9.981 1.00 0.00 N ATOM 794 CA PHE A 54 16.657 17.036 -9.838 1.00 0.00 C ATOM 795 C PHE A 54 16.233 16.955 -8.394 1.00 0.00 C ATOM 796 O PHE A 54 17.003 17.332 -7.499 1.00 0.00 O ATOM 797 CB PHE A 54 17.395 15.737 -10.224 1.00 0.00 C ATOM 798 CG PHE A 54 17.967 15.733 -11.615 1.00 0.00 C ATOM 799 CD1 PHE A 54 17.140 15.701 -12.719 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.335 15.775 -11.812 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.662 15.709 -13.994 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.867 15.783 -13.084 1.00 0.00 C ATOM 803 CZ PHE A 54 19.029 15.750 -14.178 1.00 0.00 C ATOM 0 H PHE A 54 18.220 18.273 -9.254 1.00 0.00 H new ATOM 0 HA PHE A 54 15.799 17.139 -10.502 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.203 15.568 -9.512 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.704 14.899 -10.127 1.00 0.00 H new ATOM 0 HD1 PHE A 54 16.069 15.669 -12.582 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.996 15.802 -10.958 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.002 15.683 -14.849 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.938 15.815 -13.223 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.441 15.756 -15.176 1.00 0.00 H new ATOM 813 N ALA A 55 15.050 16.493 -8.162 1.00 0.00 N ATOM 814 CA ALA A 55 14.513 16.374 -6.838 1.00 0.00 C ATOM 815 C ALA A 55 13.501 15.257 -6.806 1.00 0.00 C ATOM 816 O ALA A 55 13.156 14.695 -7.851 1.00 0.00 O ATOM 817 CB ALA A 55 13.870 17.687 -6.407 1.00 0.00 C ATOM 0 H ALA A 55 14.414 16.181 -8.896 1.00 0.00 H new ATOM 0 HA ALA A 55 15.320 16.145 -6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.467 17.581 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.619 18.479 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.064 17.941 -7.096 1.00 0.00 H new ATOM 823 N TYR A 56 13.055 14.917 -5.629 1.00 0.00 N ATOM 824 CA TYR A 56 12.049 13.903 -5.431 1.00 0.00 C ATOM 825 C TYR A 56 11.152 14.406 -4.322 1.00 0.00 C ATOM 826 O TYR A 56 11.639 15.055 -3.389 1.00 0.00 O ATOM 827 CB TYR A 56 12.681 12.556 -5.014 1.00 0.00 C ATOM 828 CG TYR A 56 13.773 12.049 -5.940 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.470 11.344 -7.099 1.00 0.00 C ATOM 830 CD2 TYR A 56 15.114 12.288 -5.650 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.473 10.895 -7.940 1.00 0.00 C ATOM 832 CE2 TYR A 56 16.116 11.844 -6.484 1.00 0.00 C ATOM 833 CZ TYR A 56 15.794 11.150 -7.625 1.00 0.00 C ATOM 834 OH TYR A 56 16.800 10.708 -8.456 1.00 0.00 O ATOM 0 H TYR A 56 13.384 15.343 -4.763 1.00 0.00 H new ATOM 0 HA TYR A 56 11.500 13.728 -6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 56 13.095 12.660 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.894 11.804 -4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.438 11.144 -7.346 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.373 12.832 -4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.225 10.348 -8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.150 12.040 -6.242 1.00 0.00 H new ATOM 0 HH TYR A 56 17.669 10.973 -8.088 1.00 0.00 H new ATOM 844 N LEU A 57 9.879 14.170 -4.423 1.00 0.00 N ATOM 845 CA LEU A 57 8.955 14.640 -3.417 1.00 0.00 C ATOM 846 C LEU A 57 7.811 13.654 -3.294 1.00 0.00 C ATOM 847 O LEU A 57 7.596 12.844 -4.194 1.00 0.00 O ATOM 848 CB LEU A 57 8.458 16.065 -3.838 1.00 0.00 C ATOM 849 CG LEU A 57 7.542 16.871 -2.883 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.675 18.346 -3.190 1.00 0.00 C ATOM 851 CD2 LEU A 57 6.088 16.490 -3.073 1.00 0.00 C ATOM 0 H LEU A 57 9.449 13.654 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 57 9.433 14.714 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.341 16.674 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.928 15.959 -4.785 1.00 0.00 H new ATOM 0 HG LEU A 57 7.846 16.651 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.032 18.917 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.711 18.655 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.378 18.531 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.468 17.071 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.789 16.697 -4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.960 15.428 -2.865 1.00 0.00 H new ATOM 863 N LYS A 58 7.145 13.661 -2.161 1.00 0.00 N ATOM 864 CA LYS A 58 5.919 12.927 -2.011 1.00 0.00 C ATOM 865 C LYS A 58 4.964 13.669 -1.098 1.00 0.00 C ATOM 866 O LYS A 58 5.371 14.282 -0.074 1.00 0.00 O ATOM 867 CB LYS A 58 6.087 11.462 -1.537 1.00 0.00 C ATOM 868 CG LYS A 58 6.660 11.268 -0.143 1.00 0.00 C ATOM 869 CD LYS A 58 6.505 9.817 0.336 1.00 0.00 C ATOM 870 CE LYS A 58 5.032 9.419 0.524 1.00 0.00 C ATOM 871 NZ LYS A 58 4.881 8.013 0.963 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.438 14.172 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 58 5.504 12.859 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.113 10.975 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.732 10.944 -2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.715 11.541 -0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.156 11.938 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.971 9.147 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.037 9.689 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.571 10.078 1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.496 9.564 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.871 7.791 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.297 7.380 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.369 7.879 1.872 1.00 0.00 H new ATOM 885 N TYR A 59 3.729 13.677 -1.501 1.00 0.00 N ATOM 886 CA TYR A 59 2.650 14.210 -0.724 1.00 0.00 C ATOM 887 C TYR A 59 1.951 13.025 -0.093 1.00 0.00 C ATOM 888 O TYR A 59 1.953 11.936 -0.673 1.00 0.00 O ATOM 889 CB TYR A 59 1.694 15.018 -1.633 1.00 0.00 C ATOM 890 CG TYR A 59 0.415 15.493 -0.964 1.00 0.00 C ATOM 891 CD1 TYR A 59 0.444 16.251 0.189 1.00 0.00 C ATOM 892 CD2 TYR A 59 -0.818 15.182 -1.501 1.00 0.00 C ATOM 893 CE1 TYR A 59 -0.719 16.682 0.793 1.00 0.00 C ATOM 894 CE2 TYR A 59 -1.989 15.615 -0.901 1.00 0.00 C ATOM 895 CZ TYR A 59 -1.929 16.363 0.242 1.00 0.00 C ATOM 896 OH TYR A 59 -3.088 16.791 0.842 1.00 0.00 O ATOM 0 H TYR A 59 3.436 13.303 -2.404 1.00 0.00 H new ATOM 0 HA TYR A 59 3.003 14.894 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.230 15.887 -2.016 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.429 14.403 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.396 16.512 0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.871 14.591 -2.404 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.674 17.269 1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.946 15.363 -1.334 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.859 16.480 0.323 1.00 0.00 H new ATOM 906 N GLU A 60 1.370 13.199 1.077 1.00 0.00 N ATOM 907 CA GLU A 60 0.730 12.088 1.745 1.00 0.00 C ATOM 908 C GLU A 60 -0.697 11.908 1.233 1.00 0.00 C ATOM 909 O GLU A 60 -1.692 12.170 1.929 1.00 0.00 O ATOM 910 CB GLU A 60 0.819 12.220 3.266 1.00 0.00 C ATOM 911 CG GLU A 60 0.447 10.985 4.037 1.00 0.00 C ATOM 912 CD GLU A 60 0.739 11.122 5.504 1.00 0.00 C ATOM 913 OE1 GLU A 60 1.877 10.830 5.926 1.00 0.00 O1- ATOM 914 OE2 GLU A 60 -0.169 11.496 6.265 1.00 0.00 O ATOM 0 H GLU A 60 1.328 14.087 1.578 1.00 0.00 H new ATOM 0 HA GLU A 60 1.269 11.173 1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.838 12.502 3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.170 13.036 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.614 10.778 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.994 10.131 3.638 1.00 0.00 H new ATOM 921 N ASP A 61 -0.738 11.559 -0.028 1.00 0.00 N ATOM 922 CA ASP A 61 -1.908 11.252 -0.830 1.00 0.00 C ATOM 923 C ASP A 61 -1.425 11.019 -2.219 1.00 0.00 C ATOM 924 O ASP A 61 -0.836 11.905 -2.841 1.00 0.00 O ATOM 925 CB ASP A 61 -2.986 12.340 -0.855 1.00 0.00 C ATOM 926 CG ASP A 61 -4.164 11.919 -1.723 1.00 0.00 C ATOM 927 OD1 ASP A 61 -4.147 12.182 -2.939 1.00 0.00 O ATOM 928 OD2 ASP A 61 -5.099 11.265 -1.200 1.00 0.00 O1- ATOM 0 H ASP A 61 0.120 11.473 -0.573 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.392 10.385 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.330 12.540 0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.562 13.269 -1.236 1.00 0.00 H new ATOM 933 N GLN A 62 -1.654 9.851 -2.686 1.00 0.00 N ATOM 934 CA GLN A 62 -1.177 9.390 -3.961 1.00 0.00 C ATOM 935 C GLN A 62 -1.854 10.116 -5.141 1.00 0.00 C ATOM 936 O GLN A 62 -1.244 10.327 -6.175 1.00 0.00 O ATOM 937 CB GLN A 62 -1.483 7.917 -4.033 1.00 0.00 C ATOM 938 CG GLN A 62 -1.015 7.201 -5.263 1.00 0.00 C ATOM 939 CD GLN A 62 -1.704 5.879 -5.377 1.00 0.00 C ATOM 940 OE1 GLN A 62 -2.754 5.776 -6.005 1.00 0.00 O ATOM 941 NE2 GLN A 62 -1.177 4.883 -4.737 1.00 0.00 N ATOM 0 H GLN A 62 -2.199 9.152 -2.182 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.109 9.594 -4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.037 7.432 -3.164 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.562 7.787 -3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.221 7.805 -6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.064 7.056 -5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.303 5.010 -4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.636 3.972 -4.743 1.00 0.00 H new ATOM 950 N ARG A 63 -3.084 10.548 -4.966 1.00 0.00 N ATOM 951 CA ARG A 63 -3.843 11.079 -6.089 1.00 0.00 C ATOM 952 C ARG A 63 -3.584 12.562 -6.329 1.00 0.00 C ATOM 953 O ARG A 63 -3.579 13.025 -7.475 1.00 0.00 O ATOM 954 CB ARG A 63 -5.350 10.743 -6.009 1.00 0.00 C ATOM 955 CG ARG A 63 -5.684 9.253 -6.218 1.00 0.00 C ATOM 956 CD ARG A 63 -5.259 8.390 -5.035 1.00 0.00 C ATOM 957 NE ARG A 63 -5.309 6.950 -5.330 1.00 0.00 N ATOM 958 CZ ARG A 63 -6.125 6.069 -4.740 1.00 0.00 C ATOM 959 NH1 ARG A 63 -7.084 6.487 -3.920 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -5.993 4.768 -4.993 1.00 0.00 N ATOM 0 H ARG A 63 -3.578 10.545 -4.074 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.467 10.561 -6.971 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.728 11.054 -5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.881 11.330 -6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.757 9.143 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.189 8.896 -7.121 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.245 8.660 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.906 8.604 -4.184 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.670 6.594 -6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.201 7.484 -3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.703 5.811 -3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.270 4.444 -5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.615 4.095 -4.544 1.00 0.00 H new ATOM 974 N SER A 64 -3.299 13.290 -5.281 1.00 0.00 N ATOM 975 CA SER A 64 -2.980 14.699 -5.431 1.00 0.00 C ATOM 976 C SER A 64 -1.520 14.775 -5.877 1.00 0.00 C ATOM 977 O SER A 64 -1.078 15.713 -6.548 1.00 0.00 O ATOM 978 CB SER A 64 -3.241 15.472 -4.129 1.00 0.00 C ATOM 979 OG SER A 64 -3.146 16.874 -4.326 1.00 0.00 O ATOM 0 H SER A 64 -3.279 12.943 -4.322 1.00 0.00 H new ATOM 0 HA SER A 64 -3.620 15.171 -6.176 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.232 15.224 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.523 15.161 -3.370 1.00 0.00 H new ATOM 0 HG SER A 64 -2.527 17.255 -3.669 1.00 0.00 H new ATOM 985 N THR A 65 -0.810 13.721 -5.542 1.00 0.00 N ATOM 986 CA THR A 65 0.514 13.473 -6.012 1.00 0.00 C ATOM 987 C THR A 65 0.476 13.313 -7.563 1.00 0.00 C ATOM 988 O THR A 65 1.313 13.868 -8.283 1.00 0.00 O ATOM 989 CB THR A 65 1.041 12.216 -5.280 1.00 0.00 C ATOM 990 OG1 THR A 65 1.528 12.544 -3.969 1.00 0.00 O ATOM 991 CG2 THR A 65 2.033 11.417 -6.063 1.00 0.00 C ATOM 0 H THR A 65 -1.159 12.996 -4.915 1.00 0.00 H new ATOM 0 HA THR A 65 1.194 14.297 -5.799 1.00 0.00 H new ATOM 0 HB THR A 65 0.180 11.557 -5.170 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.793 12.487 -3.323 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.350 10.555 -5.476 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.574 11.076 -6.991 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.899 12.037 -6.293 1.00 0.00 H new ATOM 999 N ILE A 66 -0.556 12.613 -8.057 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.792 12.458 -9.490 1.00 0.00 C ATOM 1001 C ILE A 66 -1.023 13.833 -10.137 1.00 0.00 C ATOM 1002 O ILE A 66 -0.487 14.116 -11.205 1.00 0.00 O ATOM 1003 CB ILE A 66 -2.000 11.502 -9.760 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.657 10.080 -9.288 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.419 11.508 -11.234 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -2.800 9.093 -9.377 1.00 0.00 C ATOM 0 H ILE A 66 -1.246 12.142 -7.472 1.00 0.00 H new ATOM 0 HA ILE A 66 0.092 12.006 -9.940 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.854 11.868 -9.190 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.824 9.705 -9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.315 10.127 -8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.261 10.830 -11.376 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.712 12.517 -11.525 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.582 11.181 -11.851 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.467 8.117 -9.024 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.629 9.439 -8.759 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.130 9.010 -10.413 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.792 14.689 -9.457 1.00 0.00 N ATOM 1019 CA LEU A 67 -2.038 16.069 -9.923 1.00 0.00 C ATOM 1020 C LEU A 67 -0.753 16.837 -10.107 1.00 0.00 C ATOM 1021 O LEU A 67 -0.566 17.512 -11.118 1.00 0.00 O ATOM 1022 CB LEU A 67 -2.897 16.841 -8.949 1.00 0.00 C ATOM 1023 CG LEU A 67 -4.346 16.470 -8.865 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.979 17.267 -7.762 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -5.038 16.768 -10.184 1.00 0.00 C ATOM 0 H LEU A 67 -2.258 14.456 -8.580 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.551 15.971 -10.879 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.463 16.730 -7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.834 17.898 -9.208 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.444 15.404 -8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.035 17.009 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.482 17.041 -6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.880 18.331 -7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.091 16.495 -10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.954 17.832 -10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.567 16.192 -10.980 1.00 0.00 H new ATOM 1037 N ALA A 68 0.121 16.745 -9.121 1.00 0.00 N ATOM 1038 CA ALA A 68 1.401 17.425 -9.164 1.00 0.00 C ATOM 1039 C ALA A 68 2.191 17.000 -10.389 1.00 0.00 C ATOM 1040 O ALA A 68 2.772 17.838 -11.077 1.00 0.00 O ATOM 1041 CB ALA A 68 2.182 17.163 -7.892 1.00 0.00 C ATOM 0 H ALA A 68 -0.036 16.200 -8.273 1.00 0.00 H new ATOM 0 HA ALA A 68 1.223 18.498 -9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.140 17.680 -7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.615 17.528 -7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.353 16.092 -7.784 1.00 0.00 H new ATOM 1047 N VAL A 69 2.155 15.712 -10.682 1.00 0.00 N ATOM 1048 CA VAL A 69 2.824 15.168 -11.848 1.00 0.00 C ATOM 1049 C VAL A 69 2.173 15.682 -13.123 1.00 0.00 C ATOM 1050 O VAL A 69 2.814 16.272 -13.967 1.00 0.00 O ATOM 1051 CB VAL A 69 2.763 13.614 -11.876 1.00 0.00 C ATOM 1052 CG1 VAL A 69 3.514 13.048 -13.077 1.00 0.00 C ATOM 1053 CG2 VAL A 69 3.298 13.027 -10.598 1.00 0.00 C ATOM 0 H VAL A 69 1.663 15.017 -10.120 1.00 0.00 H new ATOM 0 HA VAL A 69 3.864 15.488 -11.790 1.00 0.00 H new ATOM 0 HB VAL A 69 1.714 13.333 -11.971 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.451 11.960 -13.066 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.069 13.428 -13.997 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.560 13.352 -13.028 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.243 11.939 -10.646 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.336 13.332 -10.464 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.703 13.384 -9.757 1.00 0.00 H new ATOM 1063 N ASP A 70 0.889 15.488 -13.202 1.00 0.00 N ATOM 1064 CA ASP A 70 0.118 15.739 -14.408 1.00 0.00 C ATOM 1065 C ASP A 70 -0.020 17.221 -14.774 1.00 0.00 C ATOM 1066 O ASP A 70 0.024 17.574 -15.954 1.00 0.00 O ATOM 1067 CB ASP A 70 -1.261 15.087 -14.271 1.00 0.00 C ATOM 1068 CG ASP A 70 -2.107 15.207 -15.511 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -1.789 14.550 -16.522 1.00 0.00 O1- ATOM 1070 OD2 ASP A 70 -3.119 15.941 -15.490 1.00 0.00 O ATOM 0 H ASP A 70 0.328 15.145 -12.422 1.00 0.00 H new ATOM 0 HA ASP A 70 0.675 15.293 -15.232 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.133 14.032 -14.029 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.789 15.545 -13.434 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.139 18.082 -13.791 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.438 19.488 -14.079 1.00 0.00 C ATOM 1077 C ASN A 71 0.826 20.322 -14.204 1.00 0.00 C ATOM 1078 O ASN A 71 0.995 21.055 -15.169 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.343 20.094 -12.999 1.00 0.00 C ATOM 1080 CG ASN A 71 -1.955 21.434 -13.412 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -1.353 22.503 -13.242 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -3.178 21.393 -13.887 1.00 0.00 N ATOM 0 H ASN A 71 -0.038 17.854 -12.802 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.959 19.506 -15.036 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.144 19.391 -12.768 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.766 20.231 -12.085 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.661 22.259 -14.128 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.646 20.496 -14.015 1.00 0.00 H new ATOM 1089 N LEU A 72 1.737 20.178 -13.244 1.00 0.00 N ATOM 1090 CA LEU A 72 2.946 21.013 -13.209 1.00 0.00 C ATOM 1091 C LEU A 72 3.966 20.614 -14.261 1.00 0.00 C ATOM 1092 O LEU A 72 4.901 21.352 -14.528 1.00 0.00 O ATOM 1093 CB LEU A 72 3.599 21.010 -11.821 1.00 0.00 C ATOM 1094 CG LEU A 72 2.823 21.674 -10.682 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.584 21.520 -9.371 1.00 0.00 C ATOM 1096 CD2 LEU A 72 2.589 23.152 -10.982 1.00 0.00 C ATOM 0 H LEU A 72 1.667 19.500 -12.485 1.00 0.00 H new ATOM 0 HA LEU A 72 2.612 22.025 -13.438 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.791 19.974 -11.540 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.568 21.503 -11.902 1.00 0.00 H new ATOM 0 HG LEU A 72 1.855 21.182 -10.590 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.023 21.996 -8.567 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.712 20.461 -9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.562 21.993 -9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.036 23.607 -10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.548 23.656 -11.096 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.016 23.250 -11.904 1.00 0.00 H new ATOM 1108 N ASN A 73 3.803 19.446 -14.826 1.00 0.00 N ATOM 1109 CA ASN A 73 4.714 18.954 -15.860 1.00 0.00 C ATOM 1110 C ASN A 73 4.677 19.874 -17.074 1.00 0.00 C ATOM 1111 O ASN A 73 3.681 19.925 -17.801 1.00 0.00 O ATOM 1112 CB ASN A 73 4.320 17.530 -16.248 1.00 0.00 C ATOM 1113 CG ASN A 73 5.157 16.904 -17.349 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.349 17.199 -17.515 1.00 0.00 O ATOM 1115 ND2 ASN A 73 4.540 16.024 -18.104 1.00 0.00 N ATOM 0 H ASN A 73 3.045 18.804 -14.594 1.00 0.00 H new ATOM 0 HA ASN A 73 5.733 18.945 -15.473 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.384 16.898 -15.362 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.277 17.532 -16.564 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.043 15.557 -18.858 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.557 15.808 -17.936 1.00 0.00 H new ATOM 1122 N GLY A 74 5.749 20.606 -17.273 1.00 0.00 N ATOM 1123 CA GLY A 74 5.805 21.536 -18.370 1.00 0.00 C ATOM 1124 C GLY A 74 5.715 22.981 -17.905 1.00 0.00 C ATOM 1125 O GLY A 74 5.773 23.907 -18.723 1.00 0.00 O ATOM 0 H GLY A 74 6.587 20.574 -16.692 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.735 21.391 -18.920 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.989 21.328 -19.062 1.00 0.00 H new ATOM 1129 N PHE A 75 5.581 23.180 -16.595 1.00 0.00 N ATOM 1130 CA PHE A 75 5.496 24.522 -16.025 1.00 0.00 C ATOM 1131 C PHE A 75 6.855 25.218 -16.165 1.00 0.00 C ATOM 1132 O PHE A 75 7.898 24.672 -15.766 1.00 0.00 O ATOM 1133 CB PHE A 75 5.035 24.463 -14.557 1.00 0.00 C ATOM 1134 CG PHE A 75 4.624 25.788 -13.967 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.383 26.330 -14.265 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.458 26.476 -13.108 1.00 0.00 C ATOM 1137 CE1 PHE A 75 2.987 27.536 -13.720 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.070 27.685 -12.560 1.00 0.00 C ATOM 1139 CZ PHE A 75 3.833 28.216 -12.867 1.00 0.00 C ATOM 0 H PHE A 75 5.529 22.428 -15.908 1.00 0.00 H new ATOM 0 HA PHE A 75 4.751 25.103 -16.569 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.195 23.772 -14.483 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.843 24.048 -13.954 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.717 25.802 -14.932 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.426 26.065 -12.861 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.017 27.946 -13.961 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.734 28.214 -11.892 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.528 29.161 -12.441 1.00 0.00 H new ATOM 1149 N LYS A 76 6.828 26.390 -16.744 1.00 0.00 N ATOM 1150 CA LYS A 76 8.013 27.146 -17.090 1.00 0.00 C ATOM 1151 C LYS A 76 8.494 27.999 -15.918 1.00 0.00 C ATOM 1152 O LYS A 76 7.749 28.837 -15.406 1.00 0.00 O ATOM 1153 CB LYS A 76 7.670 28.056 -18.276 1.00 0.00 C ATOM 1154 CG LYS A 76 8.846 28.815 -18.888 1.00 0.00 C ATOM 1155 CD LYS A 76 9.818 27.898 -19.630 1.00 0.00 C ATOM 1156 CE LYS A 76 9.143 27.154 -20.789 1.00 0.00 C ATOM 1157 NZ LYS A 76 8.537 28.067 -21.788 1.00 0.00 N1+ ATOM 0 H LYS A 76 5.960 26.862 -16.997 1.00 0.00 H new ATOM 0 HA LYS A 76 8.814 26.453 -17.347 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.208 27.449 -19.055 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.923 28.780 -17.951 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.467 29.570 -19.577 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.382 29.344 -18.100 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.650 28.488 -20.015 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.237 27.174 -18.931 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.878 26.519 -21.284 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.371 26.496 -20.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.201 27.516 -22.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.736 28.571 -21.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.249 28.756 -22.105 1.00 0.00 H new ATOM 1171 N ILE A 77 9.720 27.780 -15.505 1.00 0.00 N ATOM 1172 CA ILE A 77 10.364 28.559 -14.462 1.00 0.00 C ATOM 1173 C ILE A 77 11.827 28.741 -14.845 1.00 0.00 C ATOM 1174 O ILE A 77 12.532 27.763 -15.048 1.00 0.00 O ATOM 1175 CB ILE A 77 10.296 27.864 -13.047 1.00 0.00 C ATOM 1176 CG1 ILE A 77 8.838 27.668 -12.595 1.00 0.00 C ATOM 1177 CG2 ILE A 77 11.071 28.674 -11.993 1.00 0.00 C ATOM 1178 CD1 ILE A 77 8.678 26.969 -11.257 1.00 0.00 C ATOM 0 H ILE A 77 10.312 27.043 -15.888 1.00 0.00 H new ATOM 0 HA ILE A 77 9.838 29.510 -14.381 1.00 0.00 H new ATOM 0 HB ILE A 77 10.764 26.884 -13.143 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.354 28.643 -12.540 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.310 27.093 -13.356 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.007 28.171 -11.028 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.116 28.754 -12.292 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.640 29.672 -11.912 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.618 26.875 -11.020 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.128 25.978 -11.308 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.173 27.552 -10.480 1.00 0.00 H new ATOM 1190 N GLY A 78 12.240 29.977 -15.053 1.00 0.00 N ATOM 1191 CA GLY A 78 13.651 30.267 -15.274 1.00 0.00 C ATOM 1192 C GLY A 78 14.182 29.771 -16.603 1.00 0.00 C ATOM 1193 O GLY A 78 15.309 29.269 -16.681 1.00 0.00 O ATOM 0 H GLY A 78 11.628 30.792 -15.074 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.804 31.345 -15.213 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.234 29.816 -14.471 1.00 0.00 H new ATOM 1197 N GLY A 79 13.372 29.873 -17.633 1.00 0.00 N ATOM 1198 CA GLY A 79 13.805 29.503 -18.970 1.00 0.00 C ATOM 1199 C GLY A 79 13.662 28.027 -19.273 1.00 0.00 C ATOM 1200 O GLY A 79 13.948 27.593 -20.382 1.00 0.00 O ATOM 0 H GLY A 79 12.410 30.208 -17.575 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.227 30.071 -19.699 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.849 29.791 -19.096 1.00 0.00 H new ATOM 1204 N ARG A 80 13.220 27.259 -18.313 1.00 0.00 N ATOM 1205 CA ARG A 80 13.061 25.831 -18.505 1.00 0.00 C ATOM 1206 C ARG A 80 11.768 25.368 -17.892 1.00 0.00 C ATOM 1207 O ARG A 80 11.165 26.080 -17.095 1.00 0.00 O ATOM 1208 CB ARG A 80 14.259 25.068 -17.923 1.00 0.00 C ATOM 1209 CG ARG A 80 14.543 25.396 -16.470 1.00 0.00 C ATOM 1210 CD ARG A 80 15.841 24.768 -15.985 1.00 0.00 C ATOM 1211 NE ARG A 80 16.978 25.094 -16.847 1.00 0.00 N ATOM 1212 CZ ARG A 80 18.231 24.667 -16.688 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.547 23.812 -15.719 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 19.166 25.090 -17.511 1.00 0.00 N ATOM 0 H ARG A 80 12.961 27.594 -17.385 1.00 0.00 H new ATOM 0 HA ARG A 80 13.026 25.621 -19.574 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.076 23.997 -18.016 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.145 25.293 -18.517 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.596 26.478 -16.347 1.00 0.00 H new ATOM 0 HG3 ARG A 80 13.717 25.045 -15.851 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.049 25.109 -14.971 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.722 23.685 -15.940 1.00 0.00 H new ATOM 0 HE ARG A 80 16.795 25.705 -17.643 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.825 23.473 -15.083 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.511 23.496 -15.612 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.929 25.738 -18.262 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.128 24.770 -17.398 1.00 0.00 H new ATOM 1228 N ALA A 81 11.323 24.219 -18.288 1.00 0.00 N ATOM 1229 CA ALA A 81 10.109 23.657 -17.772 1.00 0.00 C ATOM 1230 C ALA A 81 10.446 22.496 -16.871 1.00 0.00 C ATOM 1231 O ALA A 81 11.273 21.645 -17.230 1.00 0.00 O ATOM 1232 CB ALA A 81 9.210 23.211 -18.910 1.00 0.00 C ATOM 0 H ALA A 81 11.792 23.638 -18.983 1.00 0.00 H new ATOM 0 HA ALA A 81 9.573 24.412 -17.197 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.292 22.786 -18.504 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.966 24.068 -19.538 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.725 22.458 -19.507 1.00 0.00 H new ATOM 1238 N LEU A 82 9.855 22.457 -15.715 1.00 0.00 N ATOM 1239 CA LEU A 82 10.118 21.385 -14.795 1.00 0.00 C ATOM 1240 C LEU A 82 9.327 20.125 -15.137 1.00 0.00 C ATOM 1241 O LEU A 82 8.183 20.185 -15.630 1.00 0.00 O ATOM 1242 CB LEU A 82 10.007 21.840 -13.314 1.00 0.00 C ATOM 1243 CG LEU A 82 8.757 22.620 -12.870 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.531 21.741 -12.834 1.00 0.00 C ATOM 1245 CD2 LEU A 82 8.992 23.252 -11.509 1.00 0.00 C ATOM 0 H LEU A 82 9.187 23.153 -15.384 1.00 0.00 H new ATOM 0 HA LEU A 82 11.162 21.096 -14.915 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.080 20.950 -12.689 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.877 22.458 -13.092 1.00 0.00 H new ATOM 0 HG LEU A 82 8.577 23.404 -13.605 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.671 22.330 -12.516 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.345 21.335 -13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.690 20.923 -12.132 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.101 23.802 -11.204 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.205 22.472 -10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.838 23.936 -11.567 1.00 0.00 H new ATOM 1257 N LYS A 83 9.972 19.010 -14.945 1.00 0.00 N ATOM 1258 CA LYS A 83 9.433 17.710 -15.246 1.00 0.00 C ATOM 1259 C LYS A 83 9.105 16.985 -13.963 1.00 0.00 C ATOM 1260 O LYS A 83 9.897 16.993 -13.038 1.00 0.00 O ATOM 1261 CB LYS A 83 10.491 16.894 -16.038 1.00 0.00 C ATOM 1262 CG LYS A 83 10.176 15.401 -16.207 1.00 0.00 C ATOM 1263 CD LYS A 83 8.926 15.177 -17.025 1.00 0.00 C ATOM 1264 CE LYS A 83 8.521 13.712 -17.054 1.00 0.00 C ATOM 1265 NZ LYS A 83 9.550 12.832 -17.649 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.917 18.977 -14.563 1.00 0.00 H new ATOM 0 HA LYS A 83 8.526 17.821 -15.840 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.603 17.339 -17.027 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.452 16.991 -15.534 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.019 14.905 -16.689 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.054 14.942 -15.226 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.111 15.771 -16.612 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.091 15.528 -18.044 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.313 13.380 -16.037 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.594 13.610 -17.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.250 11.840 -17.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.672 13.071 -18.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.452 12.966 -17.150 1.00 0.00 H new ATOM 1279 N ILE A 84 7.947 16.388 -13.908 1.00 0.00 N ATOM 1280 CA ILE A 84 7.590 15.543 -12.800 1.00 0.00 C ATOM 1281 C ILE A 84 7.199 14.203 -13.399 1.00 0.00 C ATOM 1282 O ILE A 84 6.610 14.170 -14.483 1.00 0.00 O ATOM 1283 CB ILE A 84 6.395 16.065 -11.923 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.549 17.523 -11.490 1.00 0.00 C ATOM 1285 CG2 ILE A 84 6.229 15.210 -10.682 1.00 0.00 C ATOM 1286 CD1 ILE A 84 6.110 18.511 -12.525 1.00 0.00 C ATOM 0 H ILE A 84 7.227 16.472 -14.625 1.00 0.00 H new ATOM 0 HA ILE A 84 8.445 15.501 -12.126 1.00 0.00 H new ATOM 0 HB ILE A 84 5.514 15.997 -12.561 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.972 17.685 -10.579 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.594 17.710 -11.243 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.397 15.588 -10.088 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.028 14.179 -10.974 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.143 15.247 -10.090 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.250 19.523 -12.144 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.704 18.378 -13.430 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.057 18.352 -12.756 1.00 0.00 H new ATOM 1298 N ASP A 85 7.557 13.126 -12.755 1.00 0.00 N ATOM 1299 CA ASP A 85 7.242 11.796 -13.252 1.00 0.00 C ATOM 1300 C ASP A 85 7.086 10.892 -12.043 1.00 0.00 C ATOM 1301 O ASP A 85 7.379 11.318 -10.935 1.00 0.00 O ATOM 1302 CB ASP A 85 8.394 11.285 -14.125 1.00 0.00 C ATOM 1303 CG ASP A 85 7.950 10.342 -15.223 1.00 0.00 C ATOM 1304 OD1 ASP A 85 7.201 9.384 -14.960 1.00 0.00 O1- ATOM 1305 OD2 ASP A 85 8.330 10.570 -16.393 1.00 0.00 O ATOM 0 H ASP A 85 8.073 13.135 -11.875 1.00 0.00 H new ATOM 0 HA ASP A 85 6.331 11.811 -13.851 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.904 12.137 -14.574 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.120 10.776 -13.492 1.00 0.00 H new ATOM 1310 N HIS A 86 6.673 9.674 -12.230 1.00 0.00 N ATOM 1311 CA HIS A 86 6.511 8.756 -11.103 1.00 0.00 C ATOM 1312 C HIS A 86 7.694 7.816 -11.016 1.00 0.00 C ATOM 1313 O HIS A 86 8.062 7.177 -12.013 1.00 0.00 O ATOM 1314 CB HIS A 86 5.213 7.935 -11.198 1.00 0.00 C ATOM 1315 CG HIS A 86 3.935 8.699 -10.983 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.266 8.753 -9.773 1.00 0.00 N ATOM 1317 CD2 HIS A 86 3.169 9.392 -11.861 1.00 0.00 C ATOM 1318 CE1 HIS A 86 2.141 9.452 -9.950 1.00 0.00 C ATOM 1319 NE2 HIS A 86 2.030 9.865 -11.206 1.00 0.00 N ATOM 0 H HIS A 86 6.439 9.279 -13.141 1.00 0.00 H new ATOM 0 HA HIS A 86 6.454 9.368 -10.203 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.173 7.467 -12.182 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.260 7.130 -10.464 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.578 8.332 -8.898 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.403 9.553 -12.903 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.418 9.654 -9.174 1.00 0.00 H new ATOM 1327 N THR A 87 8.298 7.724 -9.860 1.00 0.00 N ATOM 1328 CA THR A 87 9.411 6.840 -9.677 1.00 0.00 C ATOM 1329 C THR A 87 9.452 6.368 -8.226 1.00 0.00 C ATOM 1330 O THR A 87 9.292 7.156 -7.298 1.00 0.00 O ATOM 1331 CB THR A 87 10.764 7.527 -10.077 1.00 0.00 C ATOM 1332 OG1 THR A 87 11.844 6.584 -10.036 1.00 0.00 O ATOM 1333 CG2 THR A 87 11.092 8.700 -9.155 1.00 0.00 C ATOM 0 H THR A 87 8.034 8.254 -9.030 1.00 0.00 H new ATOM 0 HA THR A 87 9.281 5.979 -10.333 1.00 0.00 H new ATOM 0 HB THR A 87 10.643 7.902 -11.093 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.678 7.031 -10.290 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.035 9.151 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.297 9.444 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.178 8.343 -8.129 1.00 0.00 H new ATOM 1341 N PHE A 88 9.625 5.103 -8.011 1.00 0.00 N ATOM 1342 CA PHE A 88 9.737 4.658 -6.670 1.00 0.00 C ATOM 1343 C PHE A 88 11.200 4.415 -6.394 1.00 0.00 C ATOM 1344 O PHE A 88 11.763 3.394 -6.794 1.00 0.00 O ATOM 1345 CB PHE A 88 8.895 3.402 -6.421 1.00 0.00 C ATOM 1346 CG PHE A 88 8.706 3.104 -4.961 1.00 0.00 C ATOM 1347 CD1 PHE A 88 7.767 3.815 -4.219 1.00 0.00 C ATOM 1348 CD2 PHE A 88 9.456 2.129 -4.327 1.00 0.00 C ATOM 1349 CE1 PHE A 88 7.588 3.557 -2.882 1.00 0.00 C ATOM 1350 CE2 PHE A 88 9.276 1.868 -2.987 1.00 0.00 C ATOM 1351 CZ PHE A 88 8.340 2.586 -2.264 1.00 0.00 C ATOM 0 H PHE A 88 9.690 4.381 -8.729 1.00 0.00 H new ATOM 0 HA PHE A 88 9.349 5.415 -5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.919 3.526 -6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.374 2.549 -6.902 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.173 4.578 -4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.189 1.568 -4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.857 4.116 -2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.865 1.104 -2.501 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.200 2.383 -1.212 1.00 0.00 H new ATOM 1361 N TYR A 89 11.820 5.371 -5.765 1.00 0.00 N ATOM 1362 CA TYR A 89 13.220 5.273 -5.467 1.00 0.00 C ATOM 1363 C TYR A 89 13.369 4.998 -3.982 1.00 0.00 C ATOM 1364 O TYR A 89 12.421 5.210 -3.210 1.00 0.00 O ATOM 1365 CB TYR A 89 13.984 6.561 -5.913 1.00 0.00 C ATOM 1366 CG TYR A 89 14.266 7.595 -4.829 1.00 0.00 C ATOM 1367 CD1 TYR A 89 13.289 8.467 -4.366 1.00 0.00 C ATOM 1368 CD2 TYR A 89 15.538 7.686 -4.273 1.00 0.00 C ATOM 1369 CE1 TYR A 89 13.583 9.390 -3.377 1.00 0.00 C ATOM 1370 CE2 TYR A 89 15.828 8.600 -3.293 1.00 0.00 C ATOM 1371 CZ TYR A 89 14.854 9.445 -2.849 1.00 0.00 C ATOM 1372 OH TYR A 89 15.149 10.355 -1.875 1.00 0.00 O ATOM 0 H TYR A 89 11.375 6.232 -5.447 1.00 0.00 H new ATOM 0 HA TYR A 89 13.668 4.452 -6.027 1.00 0.00 H new ATOM 0 HB2 TYR A 89 14.935 6.259 -6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.408 7.043 -6.703 1.00 0.00 H new ATOM 0 HD1 TYR A 89 12.293 8.425 -4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 89 16.315 7.021 -4.621 1.00 0.00 H new ATOM 0 HE1 TYR A 89 12.819 10.065 -3.021 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.823 8.651 -2.875 1.00 0.00 H new ATOM 0 HH TYR A 89 15.806 9.971 -1.257 1.00 0.00 H new ATOM 1382 N ARG A 90 14.497 4.501 -3.577 1.00 0.00 N ATOM 1383 CA ARG A 90 14.692 4.203 -2.186 1.00 0.00 C ATOM 1384 C ARG A 90 15.516 5.287 -1.509 1.00 0.00 C ATOM 1385 O ARG A 90 16.657 5.555 -1.927 1.00 0.00 O ATOM 1386 CB ARG A 90 15.314 2.818 -1.999 1.00 0.00 C ATOM 1387 CG ARG A 90 14.498 1.701 -2.639 1.00 0.00 C ATOM 1388 CD ARG A 90 13.045 1.719 -2.167 1.00 0.00 C ATOM 1389 NE ARG A 90 12.922 1.541 -0.717 1.00 0.00 N ATOM 1390 CZ ARG A 90 11.971 2.091 0.053 1.00 0.00 C ATOM 1391 NH1 ARG A 90 11.133 3.009 -0.450 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 11.889 1.754 1.328 1.00 0.00 N ATOM 0 H ARG A 90 15.292 4.293 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 90 13.715 4.185 -1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.317 2.817 -2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 90 15.421 2.616 -0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.529 1.803 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.947 0.738 -2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.585 2.665 -2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.492 0.929 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 90 13.615 0.951 -0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.216 3.295 -1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.413 3.422 0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.546 1.080 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.169 2.168 1.920 1.00 0.00 H new ATOM 1406 N PRO A 91 14.932 5.961 -0.480 1.00 0.00 N ATOM 1407 CA PRO A 91 15.610 7.031 0.265 1.00 0.00 C ATOM 1408 C PRO A 91 16.910 6.537 0.886 1.00 0.00 C ATOM 1409 O PRO A 91 16.974 5.405 1.404 1.00 0.00 O ATOM 1410 CB PRO A 91 14.603 7.424 1.361 1.00 0.00 C ATOM 1411 CG PRO A 91 13.606 6.321 1.408 1.00 0.00 C ATOM 1412 CD PRO A 91 13.568 5.723 0.038 1.00 0.00 C ATOM 0 HA PRO A 91 15.885 7.867 -0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.100 7.544 2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.124 8.375 1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.889 5.574 2.149 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.624 6.698 1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.331 4.660 0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.812 6.199 -0.587 1.00 0.00 H new ATOM 1420 N LYS A 92 17.932 7.357 0.840 1.00 0.00 N ATOM 1421 CA LYS A 92 19.220 6.933 1.315 1.00 0.00 C ATOM 1422 C LYS A 92 19.335 7.030 2.821 1.00 0.00 C ATOM 1423 O LYS A 92 18.933 8.018 3.437 1.00 0.00 O ATOM 1424 CB LYS A 92 20.391 7.699 0.637 1.00 0.00 C ATOM 1425 CG LYS A 92 20.495 7.489 -0.873 1.00 0.00 C ATOM 1426 CD LYS A 92 19.636 8.469 -1.668 1.00 0.00 C ATOM 1427 CE LYS A 92 20.432 9.691 -2.106 1.00 0.00 C ATOM 1428 NZ LYS A 92 21.501 9.345 -3.078 1.00 0.00 N1+ ATOM 0 H LYS A 92 17.895 8.311 0.482 1.00 0.00 H new ATOM 0 HA LYS A 92 19.303 5.883 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.275 8.764 0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.328 7.389 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.536 7.595 -1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.194 6.470 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 92 19.229 7.967 -2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 92 18.789 8.786 -1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.757 10.420 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.878 10.165 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 21.727 10.179 -3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 22.352 9.040 -2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 21.173 8.574 -3.694 1.00 0.00 H new ATOM 1442 N ARG A 93 19.943 6.018 3.388 1.00 0.00 N ATOM 1443 CA ARG A 93 20.227 5.948 4.803 1.00 0.00 C ATOM 1444 C ARG A 93 21.459 6.793 5.071 1.00 0.00 C ATOM 1445 O ARG A 93 21.592 7.417 6.123 1.00 0.00 O ATOM 1446 CB ARG A 93 20.453 4.476 5.206 1.00 0.00 C ATOM 1447 CG ARG A 93 20.943 4.243 6.637 1.00 0.00 C ATOM 1448 CD ARG A 93 19.979 4.768 7.696 1.00 0.00 C ATOM 1449 NE ARG A 93 18.662 4.107 7.676 1.00 0.00 N ATOM 1450 CZ ARG A 93 17.872 3.948 8.760 1.00 0.00 C ATOM 1451 NH1 ARG A 93 18.286 4.355 9.957 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 16.680 3.373 8.644 1.00 0.00 N ATOM 0 H ARG A 93 20.262 5.200 2.868 1.00 0.00 H new ATOM 0 HA ARG A 93 19.395 6.329 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 93 19.517 3.934 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 93 21.177 4.038 4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 93 21.096 3.175 6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 93 21.912 4.726 6.765 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.427 4.636 8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 93 19.841 5.839 7.550 1.00 0.00 H new ATOM 0 HE ARG A 93 18.324 3.745 6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 93 19.203 4.789 10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.686 4.233 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.357 3.049 7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.088 3.256 9.466 1.00 0.00 H new ATOM 1466 N SER A 94 22.314 6.855 4.071 1.00 0.00 N ATOM 1467 CA SER A 94 23.524 7.640 4.104 1.00 0.00 C ATOM 1468 C SER A 94 23.177 9.123 4.278 1.00 0.00 C ATOM 1469 O SER A 94 23.913 9.873 4.902 1.00 0.00 O ATOM 1470 CB SER A 94 24.260 7.427 2.788 1.00 0.00 C ATOM 1471 OG SER A 94 24.300 6.039 2.473 1.00 0.00 O ATOM 0 H SER A 94 22.181 6.349 3.195 1.00 0.00 H new ATOM 0 HA SER A 94 24.153 7.334 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 94 23.761 7.976 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 94 25.274 7.822 2.860 1.00 0.00 H new ATOM 0 HG SER A 94 24.773 5.910 1.625 1.00 0.00 H new ATOM 1477 N LEU A 95 22.032 9.517 3.743 1.00 0.00 N ATOM 1478 CA LEU A 95 21.579 10.886 3.821 1.00 0.00 C ATOM 1479 C LEU A 95 20.363 11.040 4.728 1.00 0.00 C ATOM 1480 O LEU A 95 19.724 12.082 4.691 1.00 0.00 O ATOM 1481 CB LEU A 95 21.222 11.426 2.428 1.00 0.00 C ATOM 1482 CG LEU A 95 22.346 11.616 1.416 1.00 0.00 C ATOM 1483 CD1 LEU A 95 21.787 12.260 0.163 1.00 0.00 C ATOM 1484 CD2 LEU A 95 23.457 12.474 1.987 1.00 0.00 C ATOM 0 H LEU A 95 21.396 8.894 3.245 1.00 0.00 H new ATOM 0 HA LEU A 95 22.405 11.458 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 95 20.489 10.750 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.728 12.389 2.561 1.00 0.00 H new ATOM 0 HG LEU A 95 22.766 10.640 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 95 22.588 12.398 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 95 21.017 11.618 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.354 13.228 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 95 24.245 12.592 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 95 23.060 13.453 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 95 23.867 11.994 2.876 1.00 0.00 H new ATOM 1496 N GLN A 96 20.068 10.048 5.580 1.00 0.00 N ATOM 1497 CA GLN A 96 18.809 10.069 6.377 1.00 0.00 C ATOM 1498 C GLN A 96 18.643 11.332 7.220 1.00 0.00 C ATOM 1499 O GLN A 96 17.536 11.837 7.365 1.00 0.00 O ATOM 1500 CB GLN A 96 18.638 8.849 7.280 1.00 0.00 C ATOM 1501 CG GLN A 96 19.685 8.722 8.375 1.00 0.00 C ATOM 1502 CD GLN A 96 19.296 7.742 9.452 1.00 0.00 C ATOM 1503 OE1 GLN A 96 18.026 7.659 9.753 1.00 0.00 O flip ATOM 1504 NE2 GLN A 96 20.154 7.087 10.048 1.00 0.00 N flip ATOM 0 H GLN A 96 20.661 9.234 5.741 1.00 0.00 H new ATOM 0 HA GLN A 96 18.028 10.051 5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.651 8.890 7.742 1.00 0.00 H new ATOM 0 HB3 GLN A 96 18.665 7.950 6.664 1.00 0.00 H new ATOM 0 HG2 GLN A 96 20.630 8.409 7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.852 9.700 8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 96 21.136 7.176 9.787 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.882 6.456 10.802 1.00 0.00 H new ATOM 1513 N LYS A 97 19.750 11.855 7.743 1.00 0.00 N ATOM 1514 CA LYS A 97 19.700 13.039 8.586 1.00 0.00 C ATOM 1515 C LYS A 97 19.276 14.265 7.788 1.00 0.00 C ATOM 1516 O LYS A 97 18.733 15.200 8.341 1.00 0.00 O ATOM 1517 CB LYS A 97 21.034 13.284 9.288 1.00 0.00 C ATOM 1518 CG LYS A 97 21.514 12.133 10.172 1.00 0.00 C ATOM 1519 CD LYS A 97 20.546 11.796 11.318 1.00 0.00 C ATOM 1520 CE LYS A 97 20.434 12.923 12.343 1.00 0.00 C ATOM 1521 NZ LYS A 97 19.471 12.597 13.418 1.00 0.00 N1+ ATOM 0 H LYS A 97 20.686 11.477 7.597 1.00 0.00 H new ATOM 0 HA LYS A 97 18.949 12.858 9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.794 13.485 8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.947 14.182 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.657 11.246 9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.487 12.389 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.559 11.586 10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 97 20.883 10.888 11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.414 13.115 12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.123 13.840 11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.823 12.969 14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.550 13.028 13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.363 11.565 13.486 1.00 0.00 H new ATOM 1535 N TYR A 98 19.513 14.233 6.484 1.00 0.00 N ATOM 1536 CA TYR A 98 19.096 15.299 5.601 1.00 0.00 C ATOM 1537 C TYR A 98 17.576 15.205 5.453 1.00 0.00 C ATOM 1538 O TYR A 98 16.873 16.187 5.628 1.00 0.00 O ATOM 1539 CB TYR A 98 19.803 15.150 4.222 1.00 0.00 C ATOM 1540 CG TYR A 98 19.499 16.241 3.195 1.00 0.00 C ATOM 1541 CD1 TYR A 98 18.305 16.246 2.474 1.00 0.00 C ATOM 1542 CD2 TYR A 98 20.404 17.265 2.951 1.00 0.00 C ATOM 1543 CE1 TYR A 98 18.032 17.235 1.554 1.00 0.00 C ATOM 1544 CE2 TYR A 98 20.130 18.254 2.036 1.00 0.00 C ATOM 1545 CZ TYR A 98 18.951 18.236 1.343 1.00 0.00 C ATOM 1546 OH TYR A 98 18.682 19.235 0.457 1.00 0.00 O ATOM 0 H TYR A 98 19.998 13.468 6.015 1.00 0.00 H new ATOM 0 HA TYR A 98 19.369 16.273 6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.880 15.124 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.524 14.187 3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 98 17.582 15.461 2.640 1.00 0.00 H new ATOM 0 HD2 TYR A 98 21.340 17.285 3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 98 17.103 17.224 1.003 1.00 0.00 H new ATOM 0 HE2 TYR A 98 20.845 19.045 1.865 1.00 0.00 H new ATOM 0 HH TYR A 98 18.121 19.913 0.889 1.00 0.00 H new ATOM 1556 N TYR A 99 17.097 13.981 5.197 1.00 0.00 N ATOM 1557 CA TYR A 99 15.664 13.693 5.008 1.00 0.00 C ATOM 1558 C TYR A 99 14.856 14.121 6.210 1.00 0.00 C ATOM 1559 O TYR A 99 13.841 14.827 6.078 1.00 0.00 O ATOM 1560 CB TYR A 99 15.413 12.197 4.785 1.00 0.00 C ATOM 1561 CG TYR A 99 15.888 11.628 3.473 1.00 0.00 C ATOM 1562 CD1 TYR A 99 17.200 11.276 3.280 1.00 0.00 C ATOM 1563 CD2 TYR A 99 15.003 11.419 2.436 1.00 0.00 C ATOM 1564 CE1 TYR A 99 17.627 10.736 2.094 1.00 0.00 C ATOM 1565 CE2 TYR A 99 15.421 10.869 1.246 1.00 0.00 C ATOM 1566 CZ TYR A 99 16.741 10.531 1.085 1.00 0.00 C ATOM 1567 OH TYR A 99 17.176 9.970 -0.099 1.00 0.00 O ATOM 0 H TYR A 99 17.693 13.157 5.114 1.00 0.00 H new ATOM 0 HA TYR A 99 15.354 14.255 4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.896 11.645 5.592 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.342 12.014 4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 99 17.911 11.427 4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 99 13.965 11.691 2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 99 18.666 10.474 1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 99 14.716 10.705 0.445 1.00 0.00 H new ATOM 0 HH TYR A 99 17.854 10.549 -0.506 1.00 0.00 H new ATOM 1577 N GLU A 100 15.291 13.689 7.385 1.00 0.00 N ATOM 1578 CA GLU A 100 14.590 14.023 8.595 1.00 0.00 C ATOM 1579 C GLU A 100 14.623 15.514 8.875 1.00 0.00 C ATOM 1580 O GLU A 100 13.595 16.098 9.154 1.00 0.00 O ATOM 1581 CB GLU A 100 15.029 13.181 9.798 1.00 0.00 C ATOM 1582 CG GLU A 100 16.508 13.163 10.057 1.00 0.00 C ATOM 1583 CD GLU A 100 16.871 12.338 11.249 1.00 0.00 C ATOM 1584 OE1 GLU A 100 17.003 11.110 11.117 1.00 0.00 O1- ATOM 1585 OE2 GLU A 100 17.060 12.907 12.348 1.00 0.00 O ATOM 0 H GLU A 100 16.121 13.111 7.516 1.00 0.00 H new ATOM 0 HA GLU A 100 13.546 13.759 8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.524 13.557 10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.690 12.156 9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 100 17.022 12.773 9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.860 14.184 10.205 1.00 0.00 H new ATOM 1592 N ALA A 101 15.784 16.137 8.702 1.00 0.00 N ATOM 1593 CA ALA A 101 15.940 17.573 8.942 1.00 0.00 C ATOM 1594 C ALA A 101 14.999 18.395 8.051 1.00 0.00 C ATOM 1595 O ALA A 101 14.489 19.441 8.468 1.00 0.00 O ATOM 1596 CB ALA A 101 17.380 17.992 8.724 1.00 0.00 C ATOM 0 H ALA A 101 16.637 15.670 8.395 1.00 0.00 H new ATOM 0 HA ALA A 101 15.671 17.770 9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.479 19.062 8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 101 18.026 17.445 9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.672 17.770 7.698 1.00 0.00 H new ATOM 1602 N VAL A 102 14.768 17.914 6.838 1.00 0.00 N ATOM 1603 CA VAL A 102 13.851 18.560 5.913 1.00 0.00 C ATOM 1604 C VAL A 102 12.395 18.402 6.393 1.00 0.00 C ATOM 1605 O VAL A 102 11.664 19.393 6.561 1.00 0.00 O ATOM 1606 CB VAL A 102 13.984 17.986 4.467 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.944 18.592 3.542 1.00 0.00 C ATOM 1608 CG2 VAL A 102 15.366 18.254 3.905 1.00 0.00 C ATOM 0 H VAL A 102 15.208 17.071 6.470 1.00 0.00 H new ATOM 0 HA VAL A 102 14.116 19.617 5.888 1.00 0.00 H new ATOM 0 HB VAL A 102 13.823 16.910 4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.059 18.175 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.946 18.364 3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.078 19.673 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.434 17.845 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.544 19.329 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.115 17.781 4.540 1.00 0.00 H new ATOM 1618 N LYS A 103 11.990 17.160 6.661 1.00 0.00 N ATOM 1619 CA LYS A 103 10.608 16.878 7.038 1.00 0.00 C ATOM 1620 C LYS A 103 10.237 17.510 8.370 1.00 0.00 C ATOM 1621 O LYS A 103 9.087 17.779 8.600 1.00 0.00 O ATOM 1622 CB LYS A 103 10.300 15.372 7.057 1.00 0.00 C ATOM 1623 CG LYS A 103 11.056 14.615 8.122 1.00 0.00 C ATOM 1624 CD LYS A 103 10.809 13.098 8.121 1.00 0.00 C ATOM 1625 CE LYS A 103 11.199 12.422 6.800 1.00 0.00 C ATOM 1626 NZ LYS A 103 10.112 12.470 5.793 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.596 16.340 6.624 1.00 0.00 H new ATOM 0 HA LYS A 103 9.991 17.334 6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.230 15.230 7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.540 14.948 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 103 12.123 14.797 7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.782 15.015 9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 103 11.375 12.644 8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.754 12.908 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 103 12.086 12.909 6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.465 11.383 6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.680 11.528 5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.389 13.155 6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.503 12.761 4.874 1.00 0.00 H new ATOM 1640 N GLU A 104 11.217 17.778 9.224 1.00 0.00 N ATOM 1641 CA GLU A 104 10.964 18.407 10.530 1.00 0.00 C ATOM 1642 C GLU A 104 10.327 19.805 10.391 1.00 0.00 C ATOM 1643 O GLU A 104 9.736 20.317 11.332 1.00 0.00 O ATOM 1644 CB GLU A 104 12.239 18.480 11.370 1.00 0.00 C ATOM 1645 CG GLU A 104 12.784 17.128 11.814 1.00 0.00 C ATOM 1646 CD GLU A 104 11.877 16.396 12.770 1.00 0.00 C ATOM 1647 OE1 GLU A 104 10.967 15.652 12.325 1.00 0.00 O1- ATOM 1648 OE2 GLU A 104 12.065 16.543 14.003 1.00 0.00 O ATOM 0 H GLU A 104 12.199 17.572 9.042 1.00 0.00 H new ATOM 0 HA GLU A 104 10.247 17.770 11.048 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.008 18.996 10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.042 19.086 12.254 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.949 16.506 10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.755 17.275 12.288 1.00 0.00 H new ATOM 1655 N GLU A 105 10.463 20.414 9.225 1.00 0.00 N ATOM 1656 CA GLU A 105 9.835 21.705 8.946 1.00 0.00 C ATOM 1657 C GLU A 105 8.442 21.509 8.364 1.00 0.00 C ATOM 1658 O GLU A 105 7.529 22.303 8.596 1.00 0.00 O ATOM 1659 CB GLU A 105 10.672 22.488 7.944 1.00 0.00 C ATOM 1660 CG GLU A 105 12.027 22.899 8.456 1.00 0.00 C ATOM 1661 CD GLU A 105 11.928 23.881 9.592 1.00 0.00 C ATOM 1662 OE1 GLU A 105 11.879 25.101 9.323 1.00 0.00 O ATOM 1663 OE2 GLU A 105 11.901 23.460 10.770 1.00 0.00 O1- ATOM 0 H GLU A 105 11.006 20.036 8.448 1.00 0.00 H new ATOM 0 HA GLU A 105 9.764 22.254 9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.804 21.883 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.122 23.381 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.572 22.015 8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.602 23.342 7.643 1.00 0.00 H new ATOM 1670 N LEU A 106 8.284 20.434 7.646 1.00 0.00 N ATOM 1671 CA LEU A 106 7.067 20.171 6.895 1.00 0.00 C ATOM 1672 C LEU A 106 6.045 19.489 7.768 1.00 0.00 C ATOM 1673 O LEU A 106 4.868 19.861 7.793 1.00 0.00 O ATOM 1674 CB LEU A 106 7.401 19.247 5.728 1.00 0.00 C ATOM 1675 CG LEU A 106 8.616 19.639 4.892 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.851 18.637 3.789 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.469 21.041 4.330 1.00 0.00 C ATOM 0 H LEU A 106 8.993 19.706 7.558 1.00 0.00 H new ATOM 0 HA LEU A 106 6.660 21.117 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.563 18.243 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.533 19.196 5.070 1.00 0.00 H new ATOM 0 HG LEU A 106 9.488 19.636 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.722 18.936 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.025 17.652 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.976 18.598 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.351 21.291 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.583 21.088 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.368 21.753 5.149 1.00 0.00 H new ATOM 1689 N ASP A 107 6.532 18.522 8.525 1.00 0.00 N ATOM 1690 CA ASP A 107 5.725 17.634 9.351 1.00 0.00 C ATOM 1691 C ASP A 107 4.895 18.397 10.360 1.00 0.00 C ATOM 1692 O ASP A 107 3.811 17.981 10.692 1.00 0.00 O ATOM 1693 CB ASP A 107 6.630 16.606 10.048 1.00 0.00 C ATOM 1694 CG ASP A 107 5.868 15.520 10.760 1.00 0.00 C ATOM 1695 OD1 ASP A 107 5.459 14.547 10.095 1.00 0.00 O ATOM 1696 OD2 ASP A 107 5.697 15.594 11.980 1.00 0.00 O1- ATOM 0 H ASP A 107 7.531 18.325 8.585 1.00 0.00 H new ATOM 0 HA ASP A 107 5.025 17.110 8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.288 16.151 9.307 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.267 17.122 10.766 1.00 0.00 H new ATOM 1701 N ARG A 108 5.376 19.571 10.747 1.00 0.00 N ATOM 1702 CA ARG A 108 4.715 20.425 11.749 1.00 0.00 C ATOM 1703 C ARG A 108 3.298 20.804 11.305 1.00 0.00 C ATOM 1704 O ARG A 108 2.383 20.882 12.126 1.00 0.00 O ATOM 1705 CB ARG A 108 5.516 21.711 11.973 1.00 0.00 C ATOM 1706 CG ARG A 108 7.001 21.499 12.199 1.00 0.00 C ATOM 1707 CD ARG A 108 7.298 20.652 13.426 1.00 0.00 C ATOM 1708 NE ARG A 108 7.095 21.362 14.690 1.00 0.00 N ATOM 1709 CZ ARG A 108 6.994 20.761 15.887 1.00 0.00 C ATOM 1710 NH1 ARG A 108 6.801 19.441 15.958 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 7.043 21.486 16.997 1.00 0.00 N ATOM 0 H ARG A 108 6.240 19.968 10.378 1.00 0.00 H new ATOM 0 HA ARG A 108 4.662 19.854 12.676 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.383 22.362 11.109 1.00 0.00 H new ATOM 0 HB3 ARG A 108 5.102 22.236 12.834 1.00 0.00 H new ATOM 0 HG2 ARG A 108 7.432 21.020 11.320 1.00 0.00 H new ATOM 0 HG3 ARG A 108 7.489 22.468 12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.662 19.767 13.409 1.00 0.00 H new ATOM 0 HD3 ARG A 108 8.330 20.304 13.376 1.00 0.00 H new ATOM 0 HE ARG A 108 7.026 22.379 14.660 1.00 0.00 H new ATOM 0 HH11 ARG A 108 6.730 18.889 15.103 1.00 0.00 H new ATOM 0 HH12 ARG A 108 6.724 18.985 16.867 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.157 22.498 16.941 1.00 0.00 H new ATOM 0 HH22 ARG A 108 6.966 21.031 17.907 1.00 0.00 H new ATOM 1725 N ASP A 109 3.122 21.013 10.002 1.00 0.00 N ATOM 1726 CA ASP A 109 1.818 21.407 9.459 1.00 0.00 C ATOM 1727 C ASP A 109 0.967 20.175 9.198 1.00 0.00 C ATOM 1728 O ASP A 109 -0.259 20.253 9.109 1.00 0.00 O ATOM 1729 CB ASP A 109 1.953 22.185 8.123 1.00 0.00 C ATOM 1730 CG ASP A 109 2.729 23.488 8.198 1.00 0.00 C ATOM 1731 OD1 ASP A 109 2.241 24.460 8.781 1.00 0.00 O1- ATOM 1732 OD2 ASP A 109 3.846 23.565 7.630 1.00 0.00 O ATOM 0 H ASP A 109 3.859 20.918 9.304 1.00 0.00 H new ATOM 0 HA ASP A 109 1.351 22.055 10.201 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.437 21.536 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 109 0.953 22.400 7.746 1.00 0.00 H new ATOM 1737 N ILE A 110 1.618 19.044 9.081 1.00 0.00 N ATOM 1738 CA ILE A 110 0.958 17.796 8.706 1.00 0.00 C ATOM 1739 C ILE A 110 0.473 17.026 9.934 1.00 0.00 C ATOM 1740 O ILE A 110 -0.638 16.468 9.945 1.00 0.00 O ATOM 1741 CB ILE A 110 1.932 16.901 7.914 1.00 0.00 C ATOM 1742 CG1 ILE A 110 2.548 17.694 6.774 1.00 0.00 C ATOM 1743 CG2 ILE A 110 1.198 15.674 7.360 1.00 0.00 C ATOM 1744 CD1 ILE A 110 3.698 17.000 6.108 1.00 0.00 C ATOM 0 H ILE A 110 2.621 18.952 9.241 1.00 0.00 H new ATOM 0 HA ILE A 110 0.096 18.055 8.091 1.00 0.00 H new ATOM 0 HB ILE A 110 2.722 16.562 8.584 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.779 17.900 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.888 18.657 7.155 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.899 15.052 6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.778 15.099 8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.395 15.998 6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.085 17.627 5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.486 16.818 6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.360 16.049 5.695 1.00 0.00 H new ATOM 1973 N ILE B 206 25.782 14.755 7.943 1.00 0.00 N ATOM 1974 CA ILE B 206 25.780 14.986 6.504 1.00 0.00 C ATOM 1975 C ILE B 206 26.380 16.342 6.336 1.00 0.00 C ATOM 1976 O ILE B 206 26.181 17.182 7.206 1.00 0.00 O ATOM 1977 CB ILE B 206 24.343 15.111 5.930 1.00 0.00 C ATOM 1978 CG1 ILE B 206 23.363 14.116 6.558 1.00 0.00 C ATOM 1979 CG2 ILE B 206 24.362 14.941 4.413 1.00 0.00 C ATOM 1980 CD1 ILE B 206 23.702 12.666 6.332 1.00 0.00 C ATOM 0 HA ILE B 206 26.296 14.166 6.005 1.00 0.00 H new ATOM 0 HB ILE B 206 23.989 16.110 6.184 1.00 0.00 H new ATOM 0 HG12 ILE B 206 23.318 14.301 7.631 1.00 0.00 H new ATOM 0 HG13 ILE B 206 22.367 14.308 6.159 1.00 0.00 H new ATOM 0 HG21 ILE B 206 23.348 15.031 4.024 1.00 0.00 H new ATOM 0 HG22 ILE B 206 24.991 15.712 3.968 1.00 0.00 H new ATOM 0 HG23 ILE B 206 24.761 13.958 4.162 1.00 0.00 H new ATOM 0 HD11 ILE B 206 22.952 12.038 6.813 1.00 0.00 H new ATOM 0 HD12 ILE B 206 23.717 12.458 5.262 1.00 0.00 H new ATOM 0 HD13 ILE B 206 24.682 12.451 6.757 1.00 0.00 H new ATOM 1992 N ASP B 207 27.034 16.601 5.239 1.00 0.00 N ATOM 1993 CA ASP B 207 27.706 17.887 5.097 1.00 0.00 C ATOM 1994 C ASP B 207 26.859 18.907 4.345 1.00 0.00 C ATOM 1995 O ASP B 207 27.152 20.097 4.357 1.00 0.00 O ATOM 1996 CB ASP B 207 29.049 17.691 4.429 1.00 0.00 C ATOM 1997 CG ASP B 207 29.938 18.927 4.477 1.00 0.00 C ATOM 1998 OD1 ASP B 207 30.432 19.295 5.574 1.00 0.00 O1- ATOM 1999 OD2 ASP B 207 30.174 19.543 3.429 1.00 0.00 O ATOM 0 H ASP B 207 27.123 15.968 4.444 1.00 0.00 H new ATOM 0 HA ASP B 207 27.860 18.295 6.096 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.567 16.862 4.910 1.00 0.00 H new ATOM 0 HB3 ASP B 207 28.890 17.408 3.389 1.00 0.00 H new ATOM 2004 N ILE B 208 25.769 18.460 3.756 1.00 0.00 N ATOM 2005 CA ILE B 208 24.945 19.364 2.966 1.00 0.00 C ATOM 2006 C ILE B 208 23.935 20.064 3.832 1.00 0.00 C ATOM 2007 O ILE B 208 24.113 21.226 4.181 1.00 0.00 O ATOM 2008 CB ILE B 208 24.204 18.693 1.776 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.445 17.185 1.702 1.00 0.00 C ATOM 2010 CG2 ILE B 208 24.609 19.354 0.492 1.00 0.00 C ATOM 2011 CD1 ILE B 208 23.664 16.494 0.598 1.00 0.00 C ATOM 0 H ILE B 208 25.434 17.498 3.804 1.00 0.00 H new ATOM 0 HA ILE B 208 25.651 20.075 2.538 1.00 0.00 H new ATOM 0 HB ILE B 208 23.135 18.828 1.940 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.509 17.003 1.550 1.00 0.00 H new ATOM 0 HG13 ILE B 208 24.178 16.736 2.659 1.00 0.00 H new ATOM 0 HG21 ILE B 208 24.088 18.881 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE B 208 24.349 20.412 0.530 1.00 0.00 H new ATOM 0 HG23 ILE B 208 25.685 19.250 0.353 1.00 0.00 H new ATOM 0 HD11 ILE B 208 23.886 15.427 0.608 1.00 0.00 H new ATOM 0 HD12 ILE B 208 22.596 16.644 0.759 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.948 16.915 -0.367 1.00 0.00 H new ATOM 2023 N MET B 209 22.890 19.327 4.197 1.00 0.00 N ATOM 2024 CA MET B 209 21.801 19.822 5.035 1.00 0.00 C ATOM 2025 C MET B 209 20.852 20.802 4.318 1.00 0.00 C ATOM 2026 O MET B 209 21.269 21.546 3.413 1.00 0.00 O ATOM 2027 CB MET B 209 22.298 20.322 6.400 1.00 0.00 C ATOM 2028 CG MET B 209 22.650 19.170 7.312 1.00 0.00 C ATOM 2029 SD MET B 209 21.192 18.183 7.666 1.00 0.00 S ATOM 2030 CE MET B 209 21.872 16.906 8.672 1.00 0.00 C ATOM 0 H MET B 209 22.774 18.354 3.915 1.00 0.00 H new ATOM 0 HA MET B 209 21.171 18.957 5.244 1.00 0.00 H new ATOM 0 HB2 MET B 209 23.172 20.958 6.260 1.00 0.00 H new ATOM 0 HB3 MET B 209 21.528 20.936 6.867 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.413 18.548 6.844 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.074 19.550 8.241 1.00 0.00 H new ATOM 0 HE1 MET B 209 21.551 15.935 8.294 1.00 0.00 H new ATOM 0 HE2 MET B 209 22.960 16.964 8.647 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.526 17.028 9.698 1.00 0.00 H new ATOM 2040 N PRO B 210 19.535 20.726 4.663 1.00 0.00 N ATOM 2041 CA PRO B 210 18.460 21.533 4.061 1.00 0.00 C ATOM 2042 C PRO B 210 18.779 23.023 3.901 1.00 0.00 C ATOM 2043 O PRO B 210 19.355 23.665 4.803 1.00 0.00 O ATOM 2044 CB PRO B 210 17.287 21.367 5.034 1.00 0.00 C ATOM 2045 CG PRO B 210 17.807 20.574 6.178 1.00 0.00 C ATOM 2046 CD PRO B 210 18.967 19.807 5.653 1.00 0.00 C ATOM 0 HA PRO B 210 18.273 21.190 3.043 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.918 22.337 5.368 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.452 20.857 4.554 1.00 0.00 H new ATOM 0 HG2 PRO B 210 18.109 21.225 6.998 1.00 0.00 H new ATOM 0 HG3 PRO B 210 17.041 19.904 6.568 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.682 19.565 6.439 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.659 18.864 5.201 1.00 0.00 H new ATOM 2054 N ASP B 211 18.371 23.563 2.775 1.00 0.00 N ATOM 2055 CA ASP B 211 18.581 24.960 2.422 1.00 0.00 C ATOM 2056 C ASP B 211 17.325 25.783 2.728 1.00 0.00 C ATOM 2057 O ASP B 211 17.389 26.770 3.460 1.00 0.00 O ATOM 2058 CB ASP B 211 18.919 25.063 0.931 1.00 0.00 C ATOM 2059 CG ASP B 211 18.994 26.468 0.432 1.00 0.00 C ATOM 2060 OD1 ASP B 211 20.074 27.069 0.452 1.00 0.00 O ATOM 2061 OD2 ASP B 211 17.973 26.981 -0.025 1.00 0.00 O1- ATOM 0 H ASP B 211 17.872 23.036 2.059 1.00 0.00 H new ATOM 0 HA ASP B 211 19.408 25.355 3.013 1.00 0.00 H new ATOM 0 HB2 ASP B 211 19.874 24.570 0.748 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.166 24.522 0.358 1.00 0.00 H new ATOM 2066 N PHE B 212 16.191 25.354 2.148 1.00 0.00 N ATOM 2067 CA PHE B 212 14.848 25.993 2.327 1.00 0.00 C ATOM 2068 C PHE B 212 14.757 27.483 1.923 1.00 0.00 C ATOM 2069 O PHE B 212 13.874 28.199 2.412 1.00 0.00 O ATOM 2070 CB PHE B 212 14.306 25.838 3.760 1.00 0.00 C ATOM 2071 CG PHE B 212 13.880 24.458 4.150 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.753 23.877 3.580 1.00 0.00 C ATOM 2073 CD2 PHE B 212 14.574 23.754 5.108 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.346 22.620 3.966 1.00 0.00 C ATOM 2075 CE2 PHE B 212 14.166 22.495 5.490 1.00 0.00 C ATOM 2076 CZ PHE B 212 13.051 21.931 4.918 1.00 0.00 C ATOM 0 H PHE B 212 16.167 24.543 1.530 1.00 0.00 H new ATOM 0 HA PHE B 212 14.228 25.436 1.625 1.00 0.00 H new ATOM 0 HB2 PHE B 212 15.075 26.171 4.457 1.00 0.00 H new ATOM 0 HB3 PHE B 212 13.455 26.508 3.881 1.00 0.00 H new ATOM 0 HD1 PHE B 212 12.193 24.415 2.830 1.00 0.00 H new ATOM 0 HD2 PHE B 212 15.448 24.194 5.565 1.00 0.00 H new ATOM 0 HE1 PHE B 212 11.469 22.176 3.518 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.722 21.951 6.239 1.00 0.00 H new ATOM 0 HZ PHE B 212 12.730 20.945 5.219 1.00 0.00 H new ATOM 2086 N SER B 213 15.581 27.943 1.028 1.00 0.00 N ATOM 2087 CA SER B 213 15.488 29.320 0.610 1.00 0.00 C ATOM 2088 C SER B 213 14.652 29.353 -0.658 1.00 0.00 C ATOM 2089 O SER B 213 14.362 28.297 -1.219 1.00 0.00 O ATOM 2090 CB SER B 213 16.890 29.850 0.304 1.00 0.00 C ATOM 2091 OG SER B 213 17.801 29.453 1.308 1.00 0.00 O ATOM 0 H SER B 213 16.316 27.399 0.576 1.00 0.00 H new ATOM 0 HA SER B 213 15.037 29.934 1.390 1.00 0.00 H new ATOM 0 HB2 SER B 213 17.222 29.477 -0.665 1.00 0.00 H new ATOM 0 HB3 SER B 213 16.867 30.938 0.236 1.00 0.00 H new ATOM 0 HG SER B 213 18.693 29.799 1.096 1.00 0.00 H new ATOM 2097 N PRO B 214 14.160 30.505 -1.081 1.00 0.00 N ATOM 2098 CA PRO B 214 13.596 30.619 -2.403 1.00 0.00 C ATOM 2099 C PRO B 214 14.686 30.923 -3.388 1.00 0.00 C ATOM 2100 O PRO B 214 15.774 31.420 -3.013 1.00 0.00 O ATOM 2101 CB PRO B 214 12.725 31.855 -2.335 1.00 0.00 C ATOM 2102 CG PRO B 214 13.341 32.702 -1.268 1.00 0.00 C ATOM 2103 CD PRO B 214 14.032 31.764 -0.306 1.00 0.00 C ATOM 0 HA PRO B 214 13.072 29.710 -2.698 1.00 0.00 H new ATOM 0 HB2 PRO B 214 12.705 32.377 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO B 214 11.694 31.599 -2.090 1.00 0.00 H new ATOM 0 HG2 PRO B 214 14.052 33.407 -1.698 1.00 0.00 H new ATOM 0 HG3 PRO B 214 12.580 33.290 -0.755 1.00 0.00 H new ATOM 0 HD2 PRO B 214 15.005 32.148 -0.001 1.00 0.00 H new ATOM 0 HD3 PRO B 214 13.447 31.618 0.602 1.00 0.00 H new ATOM 2111 N SER B 215 14.453 30.619 -4.585 1.00 0.00 N ATOM 2112 CA SER B 215 15.265 31.111 -5.589 1.00 0.00 C ATOM 2113 C SER B 215 14.724 32.483 -5.975 1.00 0.00 C ATOM 2114 O SER B 215 13.626 32.923 -5.557 1.00 0.00 O ATOM 2115 CB SER B 215 15.276 30.199 -6.819 1.00 0.00 C ATOM 2116 OG SER B 215 14.005 30.200 -7.452 1.00 0.00 O ATOM 0 H SER B 215 13.690 30.019 -4.897 1.00 0.00 H new ATOM 0 HA SER B 215 16.292 31.168 -5.227 1.00 0.00 H new ATOM 0 HB2 SER B 215 16.039 30.536 -7.521 1.00 0.00 H new ATOM 0 HB3 SER B 215 15.541 29.184 -6.524 1.00 0.00 H new ATOM 0 HG SER B 215 13.325 29.882 -6.822 1.00 0.00 H new ATOM 2122 N GLY B 216 15.472 33.106 -6.745 1.00 0.00 N ATOM 2123 CA GLY B 216 15.180 34.392 -7.294 1.00 0.00 C ATOM 2124 C GLY B 216 14.267 34.240 -8.469 1.00 0.00 C ATOM 2125 O GLY B 216 13.557 35.158 -8.845 1.00 0.00 O ATOM 0 H GLY B 216 16.373 32.737 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY B 216 14.714 35.024 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY B 216 16.102 34.887 -7.599 1.00 0.00 H new ATOM 2129 N LEU B 217 14.249 33.031 -9.025 1.00 0.00 N ATOM 2130 CA LEU B 217 13.394 32.716 -10.150 1.00 0.00 C ATOM 2131 C LEU B 217 11.990 32.793 -9.666 1.00 0.00 C ATOM 2132 O LEU B 217 11.124 33.365 -10.291 1.00 0.00 O ATOM 2133 CB LEU B 217 13.618 31.284 -10.636 1.00 0.00 C ATOM 2134 CG LEU B 217 15.047 30.822 -10.827 1.00 0.00 C ATOM 2135 CD1 LEU B 217 15.064 29.452 -11.425 1.00 0.00 C ATOM 2136 CD2 LEU B 217 15.825 31.775 -11.674 1.00 0.00 C ATOM 0 H LEU B 217 14.825 32.252 -8.706 1.00 0.00 H new ATOM 0 HA LEU B 217 13.609 33.408 -10.964 1.00 0.00 H new ATOM 0 HB2 LEU B 217 13.140 30.610 -9.926 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.098 31.167 -11.587 1.00 0.00 H new ATOM 0 HG LEU B 217 15.526 30.791 -9.848 1.00 0.00 H new ATOM 0 HD11 LEU B 217 16.096 29.126 -11.559 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.548 28.759 -10.761 1.00 0.00 H new ATOM 0 HD13 LEU B 217 14.561 29.471 -12.392 1.00 0.00 H new ATOM 0 HD21 LEU B 217 16.846 31.410 -11.789 1.00 0.00 H new ATOM 0 HD22 LEU B 217 15.356 31.856 -12.655 1.00 0.00 H new ATOM 0 HD23 LEU B 217 15.842 32.755 -11.197 1.00 0.00 H new ATOM 2148 N LEU B 218 11.804 32.262 -8.499 1.00 0.00 N ATOM 2149 CA LEU B 218 10.528 32.169 -7.880 1.00 0.00 C ATOM 2150 C LEU B 218 9.884 33.510 -7.580 1.00 0.00 C ATOM 2151 O LEU B 218 8.663 33.623 -7.601 1.00 0.00 O ATOM 2152 CB LEU B 218 10.616 31.294 -6.659 1.00 0.00 C ATOM 2153 CG LEU B 218 9.933 29.904 -6.816 1.00 0.00 C ATOM 2154 CD1 LEU B 218 8.447 30.055 -7.121 1.00 0.00 C ATOM 2155 CD2 LEU B 218 10.594 29.080 -7.911 1.00 0.00 C ATOM 0 H LEU B 218 12.561 31.871 -7.938 1.00 0.00 H new ATOM 0 HA LEU B 218 9.857 31.705 -8.603 1.00 0.00 H new ATOM 0 HB2 LEU B 218 11.666 31.143 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU B 218 10.160 31.817 -5.818 1.00 0.00 H new ATOM 0 HG LEU B 218 10.051 29.382 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU B 218 7.995 29.069 -7.226 1.00 0.00 H new ATOM 0 HD12 LEU B 218 7.961 30.592 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU B 218 8.321 30.612 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU B 218 10.092 28.116 -7.994 1.00 0.00 H new ATOM 0 HD22 LEU B 218 10.520 29.610 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU B 218 11.644 28.923 -7.664 1.00 0.00 H new ATOM 2167 N GLU B 219 10.677 34.522 -7.345 1.00 0.00 N ATOM 2168 CA GLU B 219 10.122 35.833 -7.077 1.00 0.00 C ATOM 2169 C GLU B 219 9.938 36.641 -8.375 1.00 0.00 C ATOM 2170 O GLU B 219 9.285 37.694 -8.380 1.00 0.00 O ATOM 2171 CB GLU B 219 10.954 36.600 -6.030 1.00 0.00 C ATOM 2172 CG GLU B 219 12.417 36.780 -6.385 1.00 0.00 C ATOM 2173 CD GLU B 219 13.166 37.617 -5.376 1.00 0.00 C ATOM 2174 OE1 GLU B 219 13.025 38.855 -5.416 1.00 0.00 O1- ATOM 2175 OE2 GLU B 219 13.895 37.060 -4.527 1.00 0.00 O ATOM 0 H GLU B 219 11.696 34.472 -7.332 1.00 0.00 H new ATOM 0 HA GLU B 219 9.131 35.688 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU B 219 10.507 37.583 -5.882 1.00 0.00 H new ATOM 0 HB3 GLU B 219 10.888 36.073 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU B 219 12.891 35.801 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU B 219 12.493 37.248 -7.366 1.00 0.00 H new ATOM 2182 N LEU B 220 10.482 36.123 -9.475 1.00 0.00 N ATOM 2183 CA LEU B 220 10.427 36.802 -10.775 1.00 0.00 C ATOM 2184 C LEU B 220 9.459 36.132 -11.763 1.00 0.00 C ATOM 2185 O LEU B 220 8.796 36.812 -12.547 1.00 0.00 O ATOM 2186 CB LEU B 220 11.827 36.880 -11.398 1.00 0.00 C ATOM 2187 CG LEU B 220 12.855 37.739 -10.656 1.00 0.00 C ATOM 2188 CD1 LEU B 220 14.222 37.598 -11.294 1.00 0.00 C ATOM 2189 CD2 LEU B 220 12.430 39.198 -10.657 1.00 0.00 C ATOM 0 H LEU B 220 10.971 35.228 -9.494 1.00 0.00 H new ATOM 0 HA LEU B 220 10.048 37.806 -10.582 1.00 0.00 H new ATOM 0 HB2 LEU B 220 12.222 35.867 -11.478 1.00 0.00 H new ATOM 0 HB3 LEU B 220 11.728 37.265 -12.413 1.00 0.00 H new ATOM 0 HG LEU B 220 12.910 37.391 -9.625 1.00 0.00 H new ATOM 0 HD11 LEU B 220 14.941 38.215 -10.755 1.00 0.00 H new ATOM 0 HD12 LEU B 220 14.537 36.555 -11.254 1.00 0.00 H new ATOM 0 HD13 LEU B 220 14.174 37.922 -12.333 1.00 0.00 H new ATOM 0 HD21 LEU B 220 13.172 39.794 -10.125 1.00 0.00 H new ATOM 0 HD22 LEU B 220 12.349 39.553 -11.685 1.00 0.00 H new ATOM 0 HD23 LEU B 220 11.464 39.296 -10.162 1.00 0.00 H new ATOM 2201 N GLU B 221 9.392 34.813 -11.745 1.00 0.00 N ATOM 2202 CA GLU B 221 8.524 34.063 -12.666 1.00 0.00 C ATOM 2203 C GLU B 221 7.068 34.126 -12.213 1.00 0.00 C ATOM 2204 O GLU B 221 6.143 33.946 -13.009 1.00 0.00 O ATOM 2205 CB GLU B 221 8.963 32.595 -12.750 1.00 0.00 C ATOM 2206 CG GLU B 221 10.403 32.385 -13.198 1.00 0.00 C ATOM 2207 CD GLU B 221 10.677 32.909 -14.576 1.00 0.00 C ATOM 2208 OE1 GLU B 221 10.414 32.180 -15.558 1.00 0.00 O1- ATOM 2209 OE2 GLU B 221 11.182 34.046 -14.705 1.00 0.00 O ATOM 0 H GLU B 221 9.927 34.227 -11.104 1.00 0.00 H new ATOM 0 HA GLU B 221 8.612 34.523 -13.650 1.00 0.00 H new ATOM 0 HB2 GLU B 221 8.831 32.134 -11.771 1.00 0.00 H new ATOM 0 HB3 GLU B 221 8.302 32.071 -13.441 1.00 0.00 H new ATOM 0 HG2 GLU B 221 11.072 32.875 -12.491 1.00 0.00 H new ATOM 0 HG3 GLU B 221 10.634 31.320 -13.169 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.426 23.845 0.306 1.00 0.00 N ATOM 2462 CA PRO C 315 -3.105 24.402 0.002 1.00 0.00 C ATOM 2463 C PRO C 315 -2.197 24.463 1.230 1.00 0.00 C ATOM 2464 O PRO C 315 -2.638 24.812 2.338 1.00 0.00 O ATOM 2465 CB PRO C 315 -3.399 25.811 -0.529 1.00 0.00 C ATOM 2466 CG PRO C 315 -4.809 26.108 -0.149 1.00 0.00 C ATOM 2467 CD PRO C 315 -5.510 24.795 0.002 1.00 0.00 C ATOM 0 HA PRO C 315 -2.568 23.780 -0.714 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -2.716 26.542 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -3.269 25.855 -1.610 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.846 26.674 0.782 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -5.293 26.718 -0.912 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -6.249 24.827 0.803 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -6.039 24.518 -0.910 1.00 0.00 H new ATOM 2475 N GLY C 316 -0.941 24.126 1.033 1.00 0.00 N ATOM 2476 CA GLY C 316 -0.004 24.098 2.120 1.00 0.00 C ATOM 2477 C GLY C 316 0.485 25.470 2.507 1.00 0.00 C ATOM 2478 O GLY C 316 0.390 26.411 1.731 1.00 0.00 O ATOM 0 H GLY C 316 -0.551 23.868 0.127 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -0.472 23.627 2.985 1.00 0.00 H new ATOM 0 HA3 GLY C 316 0.849 23.479 1.842 1.00 0.00 H new ATOM 2482 N SER C 317 1.073 25.568 3.679 1.00 0.00 N ATOM 2483 CA SER C 317 1.551 26.834 4.200 1.00 0.00 C ATOM 2484 C SER C 317 2.843 27.253 3.477 1.00 0.00 C ATOM 2485 O SER C 317 3.281 28.401 3.561 1.00 0.00 O ATOM 2486 CB SER C 317 1.758 26.712 5.722 1.00 0.00 C ATOM 2487 OG SER C 317 2.168 27.937 6.326 1.00 0.00 O ATOM 0 H SER C 317 1.234 24.774 4.299 1.00 0.00 H new ATOM 0 HA SER C 317 0.812 27.614 4.018 1.00 0.00 H new ATOM 0 HB2 SER C 317 0.829 26.378 6.184 1.00 0.00 H new ATOM 0 HB3 SER C 317 2.507 25.946 5.921 1.00 0.00 H new ATOM 0 HG SER C 317 2.283 27.804 7.290 1.00 0.00 H new ATOM 2493 N ARG C 318 3.436 26.318 2.744 1.00 0.00 N ATOM 2494 CA ARG C 318 4.626 26.613 1.957 1.00 0.00 C ATOM 2495 C ARG C 318 4.209 27.319 0.652 1.00 0.00 C ATOM 2496 O ARG C 318 5.044 27.856 -0.072 1.00 0.00 O ATOM 2497 CB ARG C 318 5.401 25.329 1.615 1.00 0.00 C ATOM 2498 CG ARG C 318 5.832 24.439 2.796 1.00 0.00 C ATOM 2499 CD ARG C 318 6.947 25.043 3.664 1.00 0.00 C ATOM 2500 NE ARG C 318 6.536 26.261 4.389 1.00 0.00 N ATOM 2501 CZ ARG C 318 5.894 26.295 5.582 1.00 0.00 C ATOM 2502 NH1 ARG C 318 5.593 25.163 6.218 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 5.573 27.461 6.132 1.00 0.00 N ATOM 0 H ARG C 318 3.113 25.353 2.679 1.00 0.00 H new ATOM 0 HA ARG C 318 5.277 27.259 2.547 1.00 0.00 H new ATOM 0 HB2 ARG C 318 4.785 24.729 0.946 1.00 0.00 H new ATOM 0 HB3 ARG C 318 6.295 25.611 1.059 1.00 0.00 H new ATOM 0 HG2 ARG C 318 4.963 24.243 3.425 1.00 0.00 H new ATOM 0 HG3 ARG C 318 6.169 23.478 2.408 1.00 0.00 H new ATOM 0 HD2 ARG C 318 7.280 24.296 4.385 1.00 0.00 H new ATOM 0 HD3 ARG C 318 7.802 25.278 3.030 1.00 0.00 H new ATOM 0 HE ARG C 318 6.755 27.157 3.953 1.00 0.00 H new ATOM 0 HH11 ARG C 318 5.846 24.264 5.807 1.00 0.00 H new ATOM 0 HH12 ARG C 318 5.110 25.195 7.116 1.00 0.00 H new ATOM 0 HH21 ARG C 318 5.810 28.332 5.656 1.00 0.00 H new ATOM 0 HH22 ARG C 318 5.090 27.486 7.030 1.00 0.00 H new ATOM 2517 N TRP C 319 2.914 27.305 0.367 1.00 0.00 N ATOM 2518 CA TRP C 319 2.374 27.934 -0.819 1.00 0.00 C ATOM 2519 C TRP C 319 2.226 29.412 -0.565 1.00 0.00 C ATOM 2520 O TRP C 319 1.364 29.838 0.205 1.00 0.00 O ATOM 2521 CB TRP C 319 1.021 27.298 -1.184 1.00 0.00 C ATOM 2522 CG TRP C 319 0.285 27.946 -2.315 1.00 0.00 C ATOM 2523 CD1 TRP C 319 0.659 27.997 -3.620 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -0.978 28.609 -2.233 1.00 0.00 C ATOM 2525 NE1 TRP C 319 -0.285 28.659 -4.347 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -1.302 29.043 -3.524 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -1.863 28.878 -1.189 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -2.475 29.732 -3.804 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -3.028 29.560 -1.468 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -3.325 29.979 -2.765 1.00 0.00 C ATOM 0 H TRP C 319 2.212 26.856 0.955 1.00 0.00 H new ATOM 0 HA TRP C 319 3.051 27.785 -1.660 1.00 0.00 H new ATOM 0 HB2 TRP C 319 1.188 26.251 -1.436 1.00 0.00 H new ATOM 0 HB3 TRP C 319 0.382 27.315 -0.301 1.00 0.00 H new ATOM 0 HD1 TRP C 319 1.569 27.576 -4.022 1.00 0.00 H new ATOM 0 HE1 TRP C 319 -0.238 28.839 -5.350 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -1.640 28.558 -0.182 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -2.706 30.060 -4.807 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -3.723 29.774 -0.669 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -4.247 30.510 -2.951 1.00 0.00 H new ATOM 2541 N ASP C 320 3.074 30.189 -1.172 1.00 0.00 N ATOM 2542 CA ASP C 320 3.028 31.613 -0.958 1.00 0.00 C ATOM 2543 C ASP C 320 2.228 32.298 -2.055 1.00 0.00 C ATOM 2544 O ASP C 320 2.786 32.891 -2.964 1.00 0.00 O ATOM 2545 CB ASP C 320 4.433 32.217 -0.834 1.00 0.00 C ATOM 2546 CG ASP C 320 4.413 33.627 -0.273 1.00 0.00 C ATOM 2547 OD1 ASP C 320 4.294 34.603 -1.039 1.00 0.00 O1- ATOM 2548 OD2 ASP C 320 4.518 33.774 0.969 1.00 0.00 O ATOM 0 H ASP C 320 3.800 29.870 -1.813 1.00 0.00 H new ATOM 0 HA ASP C 320 2.521 31.787 -0.009 1.00 0.00 H new ATOM 0 HB2 ASP C 320 5.042 31.582 -0.191 1.00 0.00 H new ATOM 0 HB3 ASP C 320 4.909 32.227 -1.815 1.00 0.00 H new ATOM 2553 N GLY C 321 0.926 32.047 -2.034 1.00 0.00 N ATOM 2554 CA GLY C 321 -0.061 32.717 -2.895 1.00 0.00 C ATOM 2555 C GLY C 321 -0.036 32.403 -4.400 1.00 0.00 C ATOM 2556 O GLY C 321 -1.102 32.342 -5.017 1.00 0.00 O ATOM 0 H GLY C 321 0.509 31.358 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -1.054 32.471 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY C 321 0.067 33.793 -2.776 1.00 0.00 H new