USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 890 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 35 HIS : no HD1:sc= -8.66! C(o=-8.8!,f=-7.6!) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= -0.173 USER MOD Set 2.1: A 117 TYR OH : rot -29:sc= 0.981 USER MOD Set 2.2: A 119 CYS SG : rot 58:sc= -3.36! USER MOD Set 3.1: A 53 LYS NZ :NH3+ -153:sc= 1.05 (180deg=0) USER MOD Set 3.2: A 94 THR OG1 : rot 69:sc= 1.01 USER MOD Set 4.1: A 56 ASN : amide:sc= -0.444 X(o=-0.39,f=-0.0056) USER MOD Set 4.2: A 61 LYS NZ :NH3+ -176:sc= 0.0501 (180deg=-0.00591) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.55) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.8 K(o=-2.8,f=-2) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot -116:sc= 1.39 USER MOD Single : A 40 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.5) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.116 USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= 0.113 (180deg=0.042) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 159:sc= -0.658 USER MOD Single : A 55 GLN : amide:sc= -0.645 K(o=-0.65,f=-3.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 141:sc=-0.00254 (180deg=-0.416) USER MOD Single : A 68 THR OG1 : rot 38:sc= 0.904 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -153:sc= -2.83! USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 47:sc= 0.187 USER MOD Single : A 111 MET CE :methyl -124:sc= -3.63! (180deg=-8.18!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 120 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.58) USER MOD Single : A 122 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 127 SER OG : rot 51:sc= 1.22 USER MOD Single : A 128 ASN : amide:sc= -9.64! C(o=-9.6!,f=-9.4!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -0.575 K(o=-0.58,f=-2.1) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.324 12.800 -12.712 1.00 0.00 N ATOM 118 CA SER A 12 -0.545 11.610 -11.898 1.00 0.00 C ATOM 119 C SER A 12 0.387 11.598 -10.691 1.00 0.00 C ATOM 120 O SER A 12 1.234 12.478 -10.536 1.00 0.00 O ATOM 121 CB SER A 12 -0.332 10.347 -12.735 1.00 0.00 C ATOM 122 OG SER A 12 -1.372 10.182 -13.683 1.00 0.00 O ATOM 0 HA SER A 12 -1.574 11.630 -11.540 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.627 10.405 -13.249 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.290 9.476 -12.081 1.00 0.00 H new ATOM 0 HG SER A 12 -1.212 9.369 -14.206 1.00 0.00 H new ATOM 128 N PHE A 13 0.225 10.592 -9.837 1.00 0.00 N ATOM 129 CA PHE A 13 1.051 10.464 -8.642 1.00 0.00 C ATOM 130 C PHE A 13 1.897 9.195 -8.699 1.00 0.00 C ATOM 131 O PHE A 13 1.827 8.432 -9.662 1.00 0.00 O ATOM 132 CB PHE A 13 0.173 10.448 -7.389 1.00 0.00 C ATOM 133 CG PHE A 13 -0.438 11.782 -7.068 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.429 12.318 -7.875 1.00 0.00 C ATOM 135 CD2 PHE A 13 -0.021 12.501 -5.959 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.992 13.546 -7.582 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.580 13.730 -5.661 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.568 14.252 -6.474 1.00 0.00 C ATOM 0 H PHE A 13 -0.470 9.854 -9.950 1.00 0.00 H new ATOM 0 HA PHE A 13 1.719 11.324 -8.599 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.623 9.715 -7.522 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.771 10.118 -6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.765 11.770 -8.743 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.750 12.096 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.763 13.953 -8.219 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.245 14.281 -4.795 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.008 15.211 -6.243 1.00 0.00 H new ATOM 148 N VAL A 14 2.698 8.977 -7.660 1.00 0.00 N ATOM 149 CA VAL A 14 3.557 7.802 -7.591 1.00 0.00 C ATOM 150 C VAL A 14 3.776 7.365 -6.147 1.00 0.00 C ATOM 151 O VAL A 14 3.191 7.929 -5.221 1.00 0.00 O ATOM 152 CB VAL A 14 4.925 8.068 -8.248 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.747 8.504 -9.694 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.701 9.112 -7.459 1.00 0.00 C ATOM 0 H VAL A 14 2.769 9.599 -6.855 1.00 0.00 H new ATOM 0 HA VAL A 14 3.049 7.006 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 14 5.498 7.141 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.724 8.687 -10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.235 7.719 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.155 9.419 -9.728 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.665 9.287 -7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.135 10.043 -7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.861 8.755 -6.442 1.00 0.00 H new ATOM 164 N LEU A 15 4.622 6.358 -5.961 1.00 0.00 N ATOM 165 CA LEU A 15 4.919 5.845 -4.628 1.00 0.00 C ATOM 166 C LEU A 15 6.343 6.198 -4.214 1.00 0.00 C ATOM 167 O LEU A 15 7.293 5.971 -4.963 1.00 0.00 O ATOM 168 CB LEU A 15 4.726 4.328 -4.590 1.00 0.00 C ATOM 169 CG LEU A 15 3.412 3.803 -5.169 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.570 2.364 -5.635 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.295 3.913 -4.141 1.00 0.00 C ATOM 0 H LEU A 15 5.114 5.881 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 15 4.230 6.311 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.550 3.864 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.800 3.998 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 15 3.147 4.415 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.624 2.008 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.340 2.313 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.859 1.738 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.367 3.535 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.553 3.326 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.164 4.957 -3.856 1.00 0.00 H new ATOM 183 N ASP A 16 6.484 6.753 -3.015 1.00 0.00 N ATOM 184 CA ASP A 16 7.794 7.135 -2.499 1.00 0.00 C ATOM 185 C ASP A 16 8.475 5.953 -1.816 1.00 0.00 C ATOM 186 O ASP A 16 9.355 6.132 -0.974 1.00 0.00 O ATOM 187 CB ASP A 16 7.658 8.299 -1.515 1.00 0.00 C ATOM 188 CG ASP A 16 8.913 9.146 -1.445 1.00 0.00 C ATOM 189 OD1 ASP A 16 9.506 9.418 -2.510 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.303 9.538 -0.324 1.00 0.00 O ATOM 0 H ASP A 16 5.708 6.948 -2.382 1.00 0.00 H new ATOM 0 HA ASP A 16 8.411 7.450 -3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.816 8.925 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.431 7.908 -0.523 1.00 0.00 H new ATOM 195 N PHE A 17 8.061 4.745 -2.184 1.00 0.00 N ATOM 196 CA PHE A 17 8.629 3.533 -1.606 1.00 0.00 C ATOM 197 C PHE A 17 8.832 2.463 -2.675 1.00 0.00 C ATOM 198 O PHE A 17 8.230 2.521 -3.747 1.00 0.00 O ATOM 199 CB PHE A 17 7.721 2.997 -0.497 1.00 0.00 C ATOM 200 CG PHE A 17 6.277 2.899 -0.900 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.453 4.011 -0.846 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.745 1.695 -1.333 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.124 3.924 -1.215 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.417 1.602 -1.704 1.00 0.00 C ATOM 205 CZ PHE A 17 3.606 2.718 -1.646 1.00 0.00 C ATOM 0 H PHE A 17 7.334 4.579 -2.880 1.00 0.00 H new ATOM 0 HA PHE A 17 9.600 3.785 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.073 2.011 -0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.804 3.646 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.854 4.957 -0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.375 0.819 -1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.491 4.798 -1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.014 0.658 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.568 2.648 -1.937 1.00 0.00 H new ATOM 215 N SER A 18 9.684 1.489 -2.374 1.00 0.00 N ATOM 216 CA SER A 18 9.970 0.408 -3.310 1.00 0.00 C ATOM 217 C SER A 18 9.032 -0.773 -3.079 1.00 0.00 C ATOM 218 O SER A 18 8.842 -1.214 -1.946 1.00 0.00 O ATOM 219 CB SER A 18 11.424 -0.045 -3.170 1.00 0.00 C ATOM 220 OG SER A 18 11.707 -0.446 -1.841 1.00 0.00 O ATOM 0 H SER A 18 10.188 1.426 -1.490 1.00 0.00 H new ATOM 0 HA SER A 18 9.810 0.784 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.618 -0.873 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.091 0.768 -3.458 1.00 0.00 H new ATOM 0 HG SER A 18 12.642 -0.733 -1.778 1.00 0.00 H new ATOM 226 N GLN A 19 8.451 -1.280 -4.161 1.00 0.00 N ATOM 227 CA GLN A 19 7.533 -2.409 -4.077 1.00 0.00 C ATOM 228 C GLN A 19 7.994 -3.408 -3.020 1.00 0.00 C ATOM 229 O GLN A 19 9.182 -3.696 -2.880 1.00 0.00 O ATOM 230 CB GLN A 19 7.417 -3.103 -5.435 1.00 0.00 C ATOM 231 CG GLN A 19 7.072 -2.158 -6.574 1.00 0.00 C ATOM 232 CD GLN A 19 5.985 -1.169 -6.202 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.175 0.044 -6.294 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.836 -1.683 -5.779 1.00 0.00 N ATOM 0 H GLN A 19 8.600 -0.927 -5.106 1.00 0.00 H new ATOM 0 HA GLN A 19 6.554 -2.027 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.360 -3.601 -5.661 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.653 -3.878 -5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.967 -1.613 -6.873 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.749 -2.739 -7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.722 -2.695 -5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.068 -1.066 -5.515 1.00 0.00 H new ATOM 243 N PRO A 20 7.032 -3.949 -2.257 1.00 0.00 N ATOM 244 CA PRO A 20 7.316 -4.924 -1.199 1.00 0.00 C ATOM 245 C PRO A 20 7.767 -6.269 -1.757 1.00 0.00 C ATOM 246 O PRO A 20 8.763 -6.836 -1.307 1.00 0.00 O ATOM 247 CB PRO A 20 5.973 -5.067 -0.479 1.00 0.00 C ATOM 248 CG PRO A 20 4.953 -4.701 -1.503 1.00 0.00 C ATOM 249 CD PRO A 20 5.594 -3.652 -2.369 1.00 0.00 C ATOM 0 HA PRO A 20 8.130 -4.598 -0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.824 -6.085 -0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.917 -4.409 0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.663 -5.570 -2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.047 -4.319 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.249 -3.717 -3.401 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.363 -2.646 -2.019 1.00 0.00 H new ATOM 257 N SER A 21 7.028 -6.776 -2.739 1.00 0.00 N ATOM 258 CA SER A 21 7.351 -8.057 -3.356 1.00 0.00 C ATOM 259 C SER A 21 8.833 -8.131 -3.712 1.00 0.00 C ATOM 260 O SER A 21 9.438 -9.201 -3.676 1.00 0.00 O ATOM 261 CB SER A 21 6.503 -8.271 -4.611 1.00 0.00 C ATOM 262 OG SER A 21 7.017 -9.329 -5.400 1.00 0.00 O ATOM 0 H SER A 21 6.202 -6.319 -3.124 1.00 0.00 H new ATOM 0 HA SER A 21 7.128 -8.845 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.475 -8.493 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.480 -7.353 -5.199 1.00 0.00 H new ATOM 0 HG SER A 21 6.456 -9.446 -6.195 1.00 0.00 H new ATOM 268 N ALA A 22 9.411 -6.984 -4.054 1.00 0.00 N ATOM 269 CA ALA A 22 10.821 -6.917 -4.414 1.00 0.00 C ATOM 270 C ALA A 22 11.658 -7.834 -3.529 1.00 0.00 C ATOM 271 O ALA A 22 12.683 -8.363 -3.961 1.00 0.00 O ATOM 272 CB ALA A 22 11.323 -5.484 -4.316 1.00 0.00 C ATOM 0 H ALA A 22 8.924 -6.089 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 22 10.924 -7.257 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.378 -5.449 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.752 -4.851 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.199 -5.124 -3.295 1.00 0.00 H new ATOM 278 N ASP A 23 11.216 -8.018 -2.290 1.00 0.00 N ATOM 279 CA ASP A 23 11.924 -8.872 -1.344 1.00 0.00 C ATOM 280 C ASP A 23 11.084 -10.092 -0.979 1.00 0.00 C ATOM 281 O ASP A 23 10.143 -9.997 -0.192 1.00 0.00 O ATOM 282 CB ASP A 23 12.280 -8.086 -0.081 1.00 0.00 C ATOM 283 CG ASP A 23 13.062 -6.824 -0.386 1.00 0.00 C ATOM 284 OD1 ASP A 23 12.798 -6.201 -1.436 1.00 0.00 O ATOM 285 OD2 ASP A 23 13.939 -6.459 0.425 1.00 0.00 O ATOM 0 H ASP A 23 10.370 -7.587 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 23 12.843 -9.215 -1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.365 -7.824 0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.865 -8.720 0.585 1.00 0.00 H new ATOM 290 N TYR A 24 11.430 -11.237 -1.558 1.00 0.00 N ATOM 291 CA TYR A 24 10.706 -12.475 -1.297 1.00 0.00 C ATOM 292 C TYR A 24 10.790 -12.854 0.179 1.00 0.00 C ATOM 293 O TYR A 24 9.790 -13.225 0.795 1.00 0.00 O ATOM 294 CB TYR A 24 11.264 -13.608 -2.159 1.00 0.00 C ATOM 295 CG TYR A 24 10.434 -14.871 -2.110 1.00 0.00 C ATOM 296 CD1 TYR A 24 10.618 -15.809 -1.101 1.00 0.00 C ATOM 297 CD2 TYR A 24 9.465 -15.127 -3.072 1.00 0.00 C ATOM 298 CE1 TYR A 24 9.863 -16.964 -1.053 1.00 0.00 C ATOM 299 CE2 TYR A 24 8.704 -16.279 -3.031 1.00 0.00 C ATOM 300 CZ TYR A 24 8.907 -17.195 -2.020 1.00 0.00 C ATOM 301 OH TYR A 24 8.151 -18.344 -1.975 1.00 0.00 O ATOM 0 H TYR A 24 12.208 -11.333 -2.211 1.00 0.00 H new ATOM 0 HA TYR A 24 9.659 -12.315 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 24 11.332 -13.268 -3.192 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.278 -13.837 -1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.365 -15.631 -0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.304 -14.413 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.020 -17.683 -0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.954 -16.461 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 24 7.523 -18.352 -2.728 1.00 0.00 H new ATOM 311 N LEU A 25 11.991 -12.759 0.740 1.00 0.00 N ATOM 312 CA LEU A 25 12.208 -13.090 2.144 1.00 0.00 C ATOM 313 C LEU A 25 11.524 -12.076 3.055 1.00 0.00 C ATOM 314 O LEU A 25 10.604 -12.417 3.799 1.00 0.00 O ATOM 315 CB LEU A 25 13.706 -13.140 2.451 1.00 0.00 C ATOM 316 CG LEU A 25 14.421 -14.444 2.094 1.00 0.00 C ATOM 317 CD1 LEU A 25 14.044 -15.545 3.072 1.00 0.00 C ATOM 318 CD2 LEU A 25 14.092 -14.859 0.667 1.00 0.00 C ATOM 0 H LEU A 25 12.829 -12.456 0.244 1.00 0.00 H new ATOM 0 HA LEU A 25 11.772 -14.071 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.193 -12.324 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.845 -12.953 3.516 1.00 0.00 H new ATOM 0 HG LEU A 25 15.496 -14.277 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.562 -16.465 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.331 -15.249 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.967 -15.711 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.609 -15.789 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.016 -15.007 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.414 -14.079 -0.022 1.00 0.00 H new ATOM 330 N ASP A 26 11.978 -10.830 2.990 1.00 0.00 N ATOM 331 CA ASP A 26 11.408 -9.765 3.807 1.00 0.00 C ATOM 332 C ASP A 26 9.889 -9.732 3.674 1.00 0.00 C ATOM 333 O ASP A 26 9.181 -9.355 4.608 1.00 0.00 O ATOM 334 CB ASP A 26 11.997 -8.412 3.404 1.00 0.00 C ATOM 335 CG ASP A 26 11.706 -7.327 4.421 1.00 0.00 C ATOM 336 OD1 ASP A 26 12.357 -7.323 5.487 1.00 0.00 O ATOM 337 OD2 ASP A 26 10.828 -6.481 4.151 1.00 0.00 O ATOM 0 H ASP A 26 12.739 -10.532 2.380 1.00 0.00 H new ATOM 0 HA ASP A 26 11.660 -9.966 4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.076 -8.511 3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.592 -8.117 2.436 1.00 0.00 H new ATOM 342 N PHE A 27 9.393 -10.128 2.506 1.00 0.00 N ATOM 343 CA PHE A 27 7.958 -10.142 2.249 1.00 0.00 C ATOM 344 C PHE A 27 7.289 -11.312 2.965 1.00 0.00 C ATOM 345 O PHE A 27 6.454 -11.117 3.849 1.00 0.00 O ATOM 346 CB PHE A 27 7.688 -10.228 0.746 1.00 0.00 C ATOM 347 CG PHE A 27 6.232 -10.368 0.405 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.586 -11.584 0.556 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.510 -9.284 -0.067 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.246 -11.717 0.244 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.170 -9.410 -0.380 1.00 0.00 C ATOM 352 CZ PHE A 27 3.537 -10.628 -0.226 1.00 0.00 C ATOM 0 H PHE A 27 9.964 -10.444 1.722 1.00 0.00 H new ATOM 0 HA PHE A 27 7.536 -9.214 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.082 -9.334 0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.232 -11.078 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.136 -12.438 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.000 -8.330 -0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.754 -12.670 0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.618 -8.557 -0.745 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.490 -10.729 -0.472 1.00 0.00 H new ATOM 362 N ARG A 28 7.661 -12.527 2.577 1.00 0.00 N ATOM 363 CA ARG A 28 7.097 -13.728 3.180 1.00 0.00 C ATOM 364 C ARG A 28 7.183 -13.665 4.702 1.00 0.00 C ATOM 365 O ARG A 28 6.223 -13.984 5.401 1.00 0.00 O ATOM 366 CB ARG A 28 7.825 -14.972 2.668 1.00 0.00 C ATOM 367 CG ARG A 28 8.995 -15.395 3.541 1.00 0.00 C ATOM 368 CD ARG A 28 9.534 -16.757 3.130 1.00 0.00 C ATOM 369 NE ARG A 28 10.661 -17.173 3.960 1.00 0.00 N ATOM 370 CZ ARG A 28 11.250 -18.359 3.859 1.00 0.00 C ATOM 371 NH1 ARG A 28 10.820 -19.242 2.968 1.00 0.00 N ATOM 372 NH2 ARG A 28 12.271 -18.664 4.649 1.00 0.00 N ATOM 0 H ARG A 28 8.351 -12.706 1.847 1.00 0.00 H new ATOM 0 HA ARG A 28 6.047 -13.787 2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.115 -15.797 2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.187 -14.781 1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.790 -14.652 3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.679 -15.427 4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.738 -17.498 3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.846 -16.724 2.086 1.00 0.00 H new ATOM 0 HE ARG A 28 11.015 -16.517 4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.035 -19.011 2.359 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.274 -20.152 2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.605 -17.987 5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.722 -19.575 4.570 1.00 0.00 H new ATOM 386 N ASN A 29 8.341 -13.252 5.207 1.00 0.00 N ATOM 387 CA ASN A 29 8.554 -13.148 6.646 1.00 0.00 C ATOM 388 C ASN A 29 7.509 -12.239 7.286 1.00 0.00 C ATOM 389 O ASN A 29 7.124 -12.435 8.439 1.00 0.00 O ATOM 390 CB ASN A 29 9.958 -12.615 6.938 1.00 0.00 C ATOM 391 CG ASN A 29 11.044 -13.493 6.348 1.00 0.00 C ATOM 392 OD1 ASN A 29 10.943 -14.720 6.364 1.00 0.00 O ATOM 393 ND2 ASN A 29 12.092 -12.867 5.824 1.00 0.00 N ATOM 0 H ASN A 29 9.146 -12.984 4.641 1.00 0.00 H new ATOM 0 HA ASN A 29 8.455 -14.145 7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.052 -11.606 6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.099 -12.542 8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.855 -13.405 5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.134 -11.848 5.832 1.00 0.00 H new ATOM 400 N ARG A 30 7.054 -11.245 6.529 1.00 0.00 N ATOM 401 CA ARG A 30 6.055 -10.305 7.023 1.00 0.00 C ATOM 402 C ARG A 30 4.659 -10.921 6.974 1.00 0.00 C ATOM 403 O ARG A 30 3.791 -10.580 7.778 1.00 0.00 O ATOM 404 CB ARG A 30 6.084 -9.017 6.198 1.00 0.00 C ATOM 405 CG ARG A 30 7.276 -8.125 6.504 1.00 0.00 C ATOM 406 CD ARG A 30 7.706 -7.331 5.281 1.00 0.00 C ATOM 407 NE ARG A 30 7.059 -6.023 5.222 1.00 0.00 N ATOM 408 CZ ARG A 30 7.382 -5.082 4.342 1.00 0.00 C ATOM 409 NH1 ARG A 30 8.339 -5.303 3.451 1.00 0.00 N ATOM 410 NH2 ARG A 30 6.746 -3.917 4.351 1.00 0.00 N ATOM 0 H ARG A 30 7.361 -11.070 5.572 1.00 0.00 H new ATOM 0 HA ARG A 30 6.295 -10.070 8.060 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.096 -9.274 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.166 -8.458 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.021 -7.440 7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.108 -8.736 6.854 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.788 -7.200 5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.466 -7.895 4.380 1.00 0.00 H new ATOM 0 HE ARG A 30 6.318 -5.821 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.829 -6.197 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.585 -4.579 2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.009 -3.744 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.995 -3.195 3.675 1.00 0.00 H new ATOM 424 N LEU A 31 4.451 -11.828 6.027 1.00 0.00 N ATOM 425 CA LEU A 31 3.161 -12.492 5.873 1.00 0.00 C ATOM 426 C LEU A 31 3.029 -13.659 6.846 1.00 0.00 C ATOM 427 O LEU A 31 1.933 -14.173 7.067 1.00 0.00 O ATOM 428 CB LEU A 31 2.989 -12.989 4.436 1.00 0.00 C ATOM 429 CG LEU A 31 1.651 -13.654 4.112 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.627 -12.613 3.687 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.828 -14.705 3.026 1.00 0.00 C ATOM 0 H LEU A 31 5.159 -12.121 5.354 1.00 0.00 H new ATOM 0 HA LEU A 31 2.378 -11.767 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.125 -12.143 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.787 -13.700 4.221 1.00 0.00 H new ATOM 0 HG LEU A 31 1.285 -14.148 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.319 -13.105 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.479 -11.897 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.986 -12.090 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.866 -15.168 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.217 -14.234 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.528 -15.467 3.368 1.00 0.00 H new ATOM 443 N GLN A 32 4.153 -14.069 7.425 1.00 0.00 N ATOM 444 CA GLN A 32 4.162 -15.174 8.376 1.00 0.00 C ATOM 445 C GLN A 32 4.254 -14.659 9.809 1.00 0.00 C ATOM 446 O GLN A 32 3.766 -15.297 10.741 1.00 0.00 O ATOM 447 CB GLN A 32 5.331 -16.117 8.085 1.00 0.00 C ATOM 448 CG GLN A 32 5.518 -17.198 9.137 1.00 0.00 C ATOM 449 CD GLN A 32 6.918 -17.778 9.134 1.00 0.00 C ATOM 450 OE1 GLN A 32 7.460 -18.119 8.082 1.00 0.00 O ATOM 451 NE2 GLN A 32 7.513 -17.894 10.316 1.00 0.00 N ATOM 0 H GLN A 32 5.068 -13.653 7.252 1.00 0.00 H new ATOM 0 HA GLN A 32 3.226 -15.722 8.265 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.173 -16.589 7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.248 -15.533 8.010 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.303 -16.783 10.122 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.797 -17.997 8.964 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.027 -17.599 11.163 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.456 -18.278 10.377 1.00 0.00 H new ATOM 460 N ALA A 33 4.883 -13.500 9.977 1.00 0.00 N ATOM 461 CA ALA A 33 5.038 -12.899 11.295 1.00 0.00 C ATOM 462 C ALA A 33 3.953 -11.859 11.555 1.00 0.00 C ATOM 463 O ALA A 33 3.581 -11.609 12.702 1.00 0.00 O ATOM 464 CB ALA A 33 6.417 -12.270 11.430 1.00 0.00 C ATOM 0 H ALA A 33 5.293 -12.959 9.216 1.00 0.00 H new ATOM 0 HA ALA A 33 4.936 -13.688 12.041 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.519 -11.825 12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.181 -13.036 11.297 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.541 -11.498 10.671 1.00 0.00 H new ATOM 470 N ASP A 34 3.448 -11.257 10.484 1.00 0.00 N ATOM 471 CA ASP A 34 2.405 -10.245 10.596 1.00 0.00 C ATOM 472 C ASP A 34 1.081 -10.765 10.045 1.00 0.00 C ATOM 473 O ASP A 34 0.027 -10.167 10.264 1.00 0.00 O ATOM 474 CB ASP A 34 2.816 -8.973 9.853 1.00 0.00 C ATOM 475 CG ASP A 34 2.169 -7.729 10.430 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.938 -7.695 11.658 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.893 -6.790 9.655 1.00 0.00 O ATOM 0 H ASP A 34 3.744 -11.453 9.528 1.00 0.00 H new ATOM 0 HA ASP A 34 2.272 -10.012 11.653 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.900 -8.867 9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.544 -9.066 8.802 1.00 0.00 H new ATOM 482 N HIS A 35 1.143 -11.882 9.328 1.00 0.00 N ATOM 483 CA HIS A 35 -0.052 -12.483 8.744 1.00 0.00 C ATOM 484 C HIS A 35 -0.696 -11.540 7.733 1.00 0.00 C ATOM 485 O HIS A 35 -1.912 -11.550 7.546 1.00 0.00 O ATOM 486 CB HIS A 35 -1.057 -12.838 9.840 1.00 0.00 C ATOM 487 CG HIS A 35 -0.440 -13.520 11.022 1.00 0.00 C ATOM 488 ND1 HIS A 35 -0.309 -14.890 11.116 1.00 0.00 N ATOM 489 CD2 HIS A 35 0.086 -13.014 12.162 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.269 -15.196 12.264 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.520 -14.076 12.917 1.00 0.00 N ATOM 0 H HIS A 35 2.007 -12.390 9.137 1.00 0.00 H new ATOM 0 HA HIS A 35 0.246 -13.394 8.225 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.553 -11.927 10.175 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.827 -13.484 9.419 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.152 -11.969 12.428 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.498 -16.193 12.610 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.964 -14.010 13.833 1.00 0.00 H new ATOM 499 N VAL A 36 0.129 -10.725 7.082 1.00 0.00 N ATOM 500 CA VAL A 36 -0.360 -9.776 6.089 1.00 0.00 C ATOM 501 C VAL A 36 0.795 -9.053 5.405 1.00 0.00 C ATOM 502 O VAL A 36 1.758 -8.646 6.056 1.00 0.00 O ATOM 503 CB VAL A 36 -1.300 -8.734 6.724 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.553 -7.896 7.751 1.00 0.00 C ATOM 505 CG2 VAL A 36 -1.918 -7.851 5.651 1.00 0.00 C ATOM 0 H VAL A 36 1.139 -10.703 7.225 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.915 -10.351 5.348 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.105 -9.261 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.233 -7.166 8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.163 -8.544 8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.273 -7.377 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.579 -7.121 6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.128 -7.331 5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.490 -8.467 4.957 1.00 0.00 H new ATOM 515 N CYS A 37 0.691 -8.895 4.091 1.00 0.00 N ATOM 516 CA CYS A 37 1.727 -8.220 3.317 1.00 0.00 C ATOM 517 C CYS A 37 1.211 -7.837 1.934 1.00 0.00 C ATOM 518 O CYS A 37 0.617 -8.657 1.232 1.00 0.00 O ATOM 519 CB CYS A 37 2.959 -9.117 3.185 1.00 0.00 C ATOM 520 SG CYS A 37 4.511 -8.213 2.976 1.00 0.00 S ATOM 0 H CYS A 37 -0.100 -9.225 3.538 1.00 0.00 H new ATOM 0 HA CYS A 37 2.005 -7.308 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.034 -9.746 4.072 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.821 -9.783 2.333 1.00 0.00 H new ATOM 0 HG CYS A 37 5.014 -8.478 1.807 1.00 0.00 H new ATOM 526 N LEU A 38 1.440 -6.587 1.548 1.00 0.00 N ATOM 527 CA LEU A 38 0.996 -6.094 0.249 1.00 0.00 C ATOM 528 C LEU A 38 1.908 -6.597 -0.865 1.00 0.00 C ATOM 529 O LEU A 38 3.124 -6.418 -0.812 1.00 0.00 O ATOM 530 CB LEU A 38 0.965 -4.564 0.246 1.00 0.00 C ATOM 531 CG LEU A 38 0.938 -3.896 -1.130 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.481 -3.853 -1.675 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.525 -2.495 -1.053 1.00 0.00 C ATOM 0 H LEU A 38 1.931 -5.896 2.116 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.010 -6.473 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.087 -4.237 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.839 -4.202 0.787 1.00 0.00 H new ATOM 0 HG LEU A 38 1.549 -4.487 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.480 -3.374 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.866 -4.868 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.115 -3.285 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.498 -2.034 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.941 -1.894 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.557 -2.551 -0.707 1.00 0.00 H new ATOM 545 N GLU A 39 1.311 -7.226 -1.873 1.00 0.00 N ATOM 546 CA GLU A 39 2.071 -7.754 -3.000 1.00 0.00 C ATOM 547 C GLU A 39 2.552 -6.626 -3.908 1.00 0.00 C ATOM 548 O GLU A 39 3.737 -6.297 -3.932 1.00 0.00 O ATOM 549 CB GLU A 39 1.218 -8.739 -3.801 1.00 0.00 C ATOM 550 CG GLU A 39 1.976 -9.428 -4.924 1.00 0.00 C ATOM 551 CD GLU A 39 1.156 -10.505 -5.607 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.410 -10.172 -6.551 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.260 -11.680 -5.197 1.00 0.00 O ATOM 0 H GLU A 39 0.305 -7.382 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 39 2.943 -8.276 -2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.820 -9.496 -3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.364 -8.208 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.279 -8.685 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.888 -9.870 -4.523 1.00 0.00 H new ATOM 560 N ASN A 40 1.623 -6.037 -4.654 1.00 0.00 N ATOM 561 CA ASN A 40 1.952 -4.946 -5.564 1.00 0.00 C ATOM 562 C ASN A 40 0.894 -3.849 -5.503 1.00 0.00 C ATOM 563 O ASN A 40 -0.290 -4.124 -5.303 1.00 0.00 O ATOM 564 CB ASN A 40 2.077 -5.470 -6.996 1.00 0.00 C ATOM 565 CG ASN A 40 0.761 -5.992 -7.539 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.572 -7.200 -7.685 1.00 0.00 O ATOM 567 ND2 ASN A 40 -0.158 -5.081 -7.840 1.00 0.00 N ATOM 0 H ASN A 40 0.637 -6.297 -4.646 1.00 0.00 H new ATOM 0 HA ASN A 40 2.907 -4.522 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.442 -4.671 -7.642 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.820 -6.267 -7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.063 -5.372 -8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.042 -4.090 -7.703 1.00 0.00 H new ATOM 574 N CYS A 41 1.328 -2.606 -5.678 1.00 0.00 N ATOM 575 CA CYS A 41 0.418 -1.466 -5.643 1.00 0.00 C ATOM 576 C CYS A 41 0.734 -0.483 -6.766 1.00 0.00 C ATOM 577 O CYS A 41 1.723 0.248 -6.706 1.00 0.00 O ATOM 578 CB CYS A 41 0.507 -0.758 -4.290 1.00 0.00 C ATOM 579 SG CYS A 41 -0.598 0.664 -4.128 1.00 0.00 S ATOM 0 H CYS A 41 2.304 -2.362 -5.846 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.597 -1.838 -5.785 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.278 -1.474 -3.501 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.533 -0.427 -4.132 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.452 1.195 -2.950 1.00 0.00 H new ATOM 585 N VAL A 42 -0.112 -0.473 -7.791 1.00 0.00 N ATOM 586 CA VAL A 42 0.077 0.419 -8.929 1.00 0.00 C ATOM 587 C VAL A 42 -0.739 1.696 -8.767 1.00 0.00 C ATOM 588 O VAL A 42 -1.612 1.783 -7.902 1.00 0.00 O ATOM 589 CB VAL A 42 -0.319 -0.266 -10.251 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.514 -1.519 -10.474 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.804 -0.596 -10.256 1.00 0.00 C ATOM 0 H VAL A 42 -0.935 -1.072 -7.857 1.00 0.00 H new ATOM 0 HA VAL A 42 1.137 0.670 -8.962 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.120 0.424 -11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.220 -1.989 -11.412 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.570 -1.251 -10.517 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.350 -2.216 -9.652 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.066 -1.079 -11.197 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.030 -1.268 -9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.381 0.322 -10.147 1.00 0.00 H new ATOM 601 N LEU A 43 -0.451 2.686 -9.605 1.00 0.00 N ATOM 602 CA LEU A 43 -1.159 3.961 -9.556 1.00 0.00 C ATOM 603 C LEU A 43 -1.767 4.299 -10.914 1.00 0.00 C ATOM 604 O LEU A 43 -1.175 4.022 -11.957 1.00 0.00 O ATOM 605 CB LEU A 43 -0.210 5.077 -9.117 1.00 0.00 C ATOM 606 CG LEU A 43 -0.846 6.236 -8.349 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.152 6.845 -7.377 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.366 7.293 -9.313 1.00 0.00 C ATOM 0 H LEU A 43 0.268 2.631 -10.327 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.967 3.873 -8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.570 4.639 -8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.279 5.480 -10.004 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.688 5.848 -7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.319 7.668 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.476 6.086 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.015 7.218 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.815 8.110 -8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.540 7.677 -9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.115 6.850 -9.969 1.00 0.00 H new ATOM 620 N LYS A 44 -2.951 4.901 -10.893 1.00 0.00 N ATOM 621 CA LYS A 44 -3.638 5.281 -12.121 1.00 0.00 C ATOM 622 C LYS A 44 -4.306 6.645 -11.971 1.00 0.00 C ATOM 623 O LYS A 44 -4.171 7.302 -10.940 1.00 0.00 O ATOM 624 CB LYS A 44 -4.685 4.227 -12.491 1.00 0.00 C ATOM 625 CG LYS A 44 -4.178 2.800 -12.374 1.00 0.00 C ATOM 626 CD LYS A 44 -5.300 1.838 -12.019 1.00 0.00 C ATOM 627 CE LYS A 44 -5.757 2.020 -10.580 1.00 0.00 C ATOM 628 NZ LYS A 44 -7.192 1.664 -10.405 1.00 0.00 N ATOM 0 H LYS A 44 -3.455 5.136 -10.038 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.897 5.344 -12.918 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.555 4.349 -11.846 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.020 4.402 -13.513 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.721 2.497 -13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.400 2.750 -11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.143 1.996 -12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.962 0.812 -12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.146 1.400 -9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.600 3.055 -10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.382 1.471 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.787 2.455 -10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.411 0.817 -10.967 1.00 0.00 H new ATOM 642 N ASP A 45 -5.026 7.062 -13.007 1.00 0.00 N ATOM 643 CA ASP A 45 -5.717 8.347 -12.989 1.00 0.00 C ATOM 644 C ASP A 45 -6.598 8.473 -11.751 1.00 0.00 C ATOM 645 O ASP A 45 -7.614 7.788 -11.626 1.00 0.00 O ATOM 646 CB ASP A 45 -6.563 8.512 -14.252 1.00 0.00 C ATOM 647 CG ASP A 45 -5.934 7.848 -15.461 1.00 0.00 C ATOM 648 OD1 ASP A 45 -4.694 7.711 -15.485 1.00 0.00 O ATOM 649 OD2 ASP A 45 -6.683 7.465 -16.385 1.00 0.00 O ATOM 0 H ASP A 45 -5.146 6.530 -13.869 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.965 9.136 -12.959 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.552 8.087 -14.081 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.703 9.574 -14.456 1.00 0.00 H new ATOM 654 N LYS A 46 -6.203 9.351 -10.836 1.00 0.00 N ATOM 655 CA LYS A 46 -6.957 9.568 -9.607 1.00 0.00 C ATOM 656 C LYS A 46 -7.520 8.254 -9.075 1.00 0.00 C ATOM 657 O LYS A 46 -8.665 8.194 -8.628 1.00 0.00 O ATOM 658 CB LYS A 46 -8.095 10.562 -9.850 1.00 0.00 C ATOM 659 CG LYS A 46 -7.620 11.930 -10.307 1.00 0.00 C ATOM 660 CD LYS A 46 -6.986 12.709 -9.167 1.00 0.00 C ATOM 661 CE LYS A 46 -6.559 14.100 -9.612 1.00 0.00 C ATOM 662 NZ LYS A 46 -5.218 14.088 -10.259 1.00 0.00 N ATOM 0 H LYS A 46 -5.364 9.925 -10.922 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.277 9.980 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.770 10.152 -10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.670 10.675 -8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.898 11.814 -11.116 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.462 12.493 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.694 12.791 -8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.120 12.165 -8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.295 14.500 -10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.541 14.767 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.963 15.054 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.511 13.730 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.242 13.471 -11.096 1.00 0.00 H new ATOM 676 N ALA A 47 -6.706 7.204 -9.124 1.00 0.00 N ATOM 677 CA ALA A 47 -7.123 5.892 -8.644 1.00 0.00 C ATOM 678 C ALA A 47 -5.918 4.989 -8.400 1.00 0.00 C ATOM 679 O ALA A 47 -4.851 5.193 -8.979 1.00 0.00 O ATOM 680 CB ALA A 47 -8.077 5.245 -9.636 1.00 0.00 C ATOM 0 H ALA A 47 -5.755 7.237 -9.491 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.641 6.028 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.380 4.266 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.958 5.875 -9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.578 5.129 -10.598 1.00 0.00 H new ATOM 686 N ILE A 48 -6.097 3.993 -7.539 1.00 0.00 N ATOM 687 CA ILE A 48 -5.024 3.059 -7.220 1.00 0.00 C ATOM 688 C ILE A 48 -5.521 1.618 -7.257 1.00 0.00 C ATOM 689 O ILE A 48 -6.725 1.366 -7.288 1.00 0.00 O ATOM 690 CB ILE A 48 -4.422 3.347 -5.832 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.379 2.886 -4.731 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.112 4.829 -5.686 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.845 3.110 -3.334 1.00 0.00 C ATOM 0 H ILE A 48 -6.974 3.812 -7.050 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.252 3.194 -7.977 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.490 2.790 -5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.326 3.415 -4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.590 1.825 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.687 5.016 -4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.397 5.128 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.030 5.406 -5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.576 2.760 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.913 2.558 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.661 4.173 -3.181 1.00 0.00 H new ATOM 705 N ALA A 49 -4.584 0.675 -7.252 1.00 0.00 N ATOM 706 CA ALA A 49 -4.927 -0.742 -7.281 1.00 0.00 C ATOM 707 C ALA A 49 -3.761 -1.598 -6.797 1.00 0.00 C ATOM 708 O ALA A 49 -2.621 -1.406 -7.215 1.00 0.00 O ATOM 709 CB ALA A 49 -5.341 -1.156 -8.685 1.00 0.00 C ATOM 0 H ALA A 49 -3.582 0.866 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.767 -0.902 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.594 -2.216 -8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.209 -0.574 -8.995 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.517 -0.975 -9.375 1.00 0.00 H new ATOM 715 N GLY A 50 -4.056 -2.545 -5.911 1.00 0.00 N ATOM 716 CA GLY A 50 -3.022 -3.417 -5.384 1.00 0.00 C ATOM 717 C GLY A 50 -3.589 -4.666 -4.740 1.00 0.00 C ATOM 718 O GLY A 50 -4.751 -4.692 -4.333 1.00 0.00 O ATOM 0 H GLY A 50 -4.993 -2.724 -5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.346 -3.703 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.430 -2.871 -4.650 1.00 0.00 H new ATOM 722 N THR A 51 -2.767 -5.707 -4.648 1.00 0.00 N ATOM 723 CA THR A 51 -3.194 -6.967 -4.052 1.00 0.00 C ATOM 724 C THR A 51 -2.471 -7.224 -2.735 1.00 0.00 C ATOM 725 O THR A 51 -1.260 -7.026 -2.630 1.00 0.00 O ATOM 726 CB THR A 51 -2.943 -8.152 -5.003 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.573 -8.165 -5.419 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.848 -8.069 -6.222 1.00 0.00 C ATOM 0 H THR A 51 -1.802 -5.702 -4.979 1.00 0.00 H new ATOM 0 HA THR A 51 -4.265 -6.882 -3.865 1.00 0.00 H new ATOM 0 HB THR A 51 -3.168 -9.074 -4.466 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.334 -9.063 -5.729 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.652 -8.917 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.890 -8.090 -5.903 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.651 -7.141 -6.759 1.00 0.00 H new ATOM 736 N VAL A 52 -3.220 -7.669 -1.731 1.00 0.00 N ATOM 737 CA VAL A 52 -2.649 -7.956 -0.420 1.00 0.00 C ATOM 738 C VAL A 52 -2.759 -9.439 -0.085 1.00 0.00 C ATOM 739 O VAL A 52 -3.758 -10.086 -0.401 1.00 0.00 O ATOM 740 CB VAL A 52 -3.343 -7.138 0.686 1.00 0.00 C ATOM 741 CG1 VAL A 52 -2.931 -7.641 2.061 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.025 -5.659 0.533 1.00 0.00 C ATOM 0 H VAL A 52 -4.223 -7.839 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.597 -7.674 -0.465 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.421 -7.267 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.431 -7.051 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.215 -8.688 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.851 -7.545 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.523 -5.096 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.948 -5.509 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.376 -5.310 -0.438 1.00 0.00 H new ATOM 752 N LYS A 53 -1.726 -9.973 0.557 1.00 0.00 N ATOM 753 CA LYS A 53 -1.706 -11.381 0.937 1.00 0.00 C ATOM 754 C LYS A 53 -2.074 -11.552 2.408 1.00 0.00 C ATOM 755 O LYS A 53 -1.852 -10.657 3.222 1.00 0.00 O ATOM 756 CB LYS A 53 -0.323 -11.982 0.674 1.00 0.00 C ATOM 757 CG LYS A 53 -0.128 -12.453 -0.757 1.00 0.00 C ATOM 758 CD LYS A 53 -1.079 -13.585 -1.106 1.00 0.00 C ATOM 759 CE LYS A 53 -0.639 -14.314 -2.366 1.00 0.00 C ATOM 760 NZ LYS A 53 -1.715 -15.192 -2.903 1.00 0.00 N ATOM 0 H LYS A 53 -0.891 -9.452 0.825 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.445 -11.906 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.438 -11.238 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.167 -12.823 1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.287 -11.619 -1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.901 -12.786 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.128 -14.289 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.084 -13.187 -1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.351 -13.586 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.245 -14.914 -2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.289 -15.978 -3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.279 -15.571 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.330 -14.641 -3.535 1.00 0.00 H new ATOM 774 N VAL A 54 -2.638 -12.709 2.741 1.00 0.00 N ATOM 775 CA VAL A 54 -3.035 -12.999 4.113 1.00 0.00 C ATOM 776 C VAL A 54 -2.849 -14.477 4.439 1.00 0.00 C ATOM 777 O VAL A 54 -2.871 -15.326 3.548 1.00 0.00 O ATOM 778 CB VAL A 54 -4.503 -12.610 4.367 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.670 -11.098 4.325 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.416 -13.283 3.353 1.00 0.00 C ATOM 0 H VAL A 54 -2.830 -13.461 2.079 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.392 -12.403 4.761 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.785 -12.956 5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.714 -10.842 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.046 -10.642 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.370 -10.726 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.450 -12.997 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.136 -12.970 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.317 -14.365 3.437 1.00 0.00 H new ATOM 790 N GLN A 55 -2.667 -14.776 5.721 1.00 0.00 N ATOM 791 CA GLN A 55 -2.477 -16.152 6.164 1.00 0.00 C ATOM 792 C GLN A 55 -3.813 -16.805 6.503 1.00 0.00 C ATOM 793 O GLN A 55 -4.771 -16.125 6.870 1.00 0.00 O ATOM 794 CB GLN A 55 -1.551 -16.196 7.381 1.00 0.00 C ATOM 795 CG GLN A 55 -0.079 -16.054 7.031 1.00 0.00 C ATOM 796 CD GLN A 55 0.510 -17.327 6.458 1.00 0.00 C ATOM 797 OE1 GLN A 55 -0.016 -17.891 5.498 1.00 0.00 O ATOM 798 NE2 GLN A 55 1.609 -17.788 7.044 1.00 0.00 N ATOM 0 H GLN A 55 -2.647 -14.085 6.471 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.018 -16.709 5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.831 -15.398 8.069 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.701 -17.138 7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.043 -15.245 6.310 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.477 -15.771 7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.012 -17.289 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.050 -18.641 6.701 1.00 0.00 H new ATOM 807 N ASN A 56 -3.870 -18.127 6.376 1.00 0.00 N ATOM 808 CA ASN A 56 -5.090 -18.871 6.668 1.00 0.00 C ATOM 809 C ASN A 56 -5.191 -19.187 8.157 1.00 0.00 C ATOM 810 O ASN A 56 -5.216 -20.352 8.556 1.00 0.00 O ATOM 811 CB ASN A 56 -5.128 -20.167 5.857 1.00 0.00 C ATOM 812 CG ASN A 56 -4.851 -19.936 4.384 1.00 0.00 C ATOM 813 OD1 ASN A 56 -5.774 -19.839 3.575 1.00 0.00 O ATOM 814 ND2 ASN A 56 -3.574 -19.845 4.029 1.00 0.00 N ATOM 0 H ASN A 56 -3.086 -18.705 6.073 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.941 -18.250 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.392 -20.864 6.257 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.106 -20.635 5.971 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.326 -19.689 3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.841 -19.931 4.733 1.00 0.00 H new ATOM 821 N LEU A 57 -5.248 -18.142 8.976 1.00 0.00 N ATOM 822 CA LEU A 57 -5.348 -18.307 10.422 1.00 0.00 C ATOM 823 C LEU A 57 -6.750 -18.751 10.824 1.00 0.00 C ATOM 824 O LEU A 57 -6.923 -19.785 11.469 1.00 0.00 O ATOM 825 CB LEU A 57 -4.992 -16.998 11.130 1.00 0.00 C ATOM 826 CG LEU A 57 -3.711 -16.307 10.660 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.602 -14.917 11.266 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.492 -17.145 11.018 1.00 0.00 C ATOM 0 H LEU A 57 -5.227 -17.171 8.663 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.642 -19.080 10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.823 -16.303 11.005 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.902 -17.199 12.198 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.751 -16.206 9.575 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.685 -14.440 10.921 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.460 -14.318 10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.583 -14.994 12.353 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.589 -16.639 10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.446 -17.278 12.099 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.566 -18.120 10.536 1.00 0.00 H new ATOM 840 N ALA A 58 -7.748 -17.964 10.437 1.00 0.00 N ATOM 841 CA ALA A 58 -9.136 -18.279 10.754 1.00 0.00 C ATOM 842 C ALA A 58 -9.935 -18.574 9.489 1.00 0.00 C ATOM 843 O ALA A 58 -9.522 -18.218 8.385 1.00 0.00 O ATOM 844 CB ALA A 58 -9.773 -17.134 11.527 1.00 0.00 C ATOM 0 H ALA A 58 -7.622 -17.104 9.904 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.147 -19.174 11.376 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.809 -17.382 11.757 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.224 -16.971 12.455 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.743 -16.227 10.924 1.00 0.00 H new ATOM 850 N PHE A 59 -11.079 -19.228 9.656 1.00 0.00 N ATOM 851 CA PHE A 59 -11.935 -19.573 8.527 1.00 0.00 C ATOM 852 C PHE A 59 -12.157 -18.364 7.623 1.00 0.00 C ATOM 853 O PHE A 59 -11.811 -18.387 6.443 1.00 0.00 O ATOM 854 CB PHE A 59 -13.280 -20.106 9.024 1.00 0.00 C ATOM 855 CG PHE A 59 -13.938 -19.219 10.042 1.00 0.00 C ATOM 856 CD1 PHE A 59 -13.566 -19.279 11.375 1.00 0.00 C ATOM 857 CD2 PHE A 59 -14.927 -18.325 9.666 1.00 0.00 C ATOM 858 CE1 PHE A 59 -14.170 -18.465 12.315 1.00 0.00 C ATOM 859 CE2 PHE A 59 -15.534 -17.508 10.601 1.00 0.00 C ATOM 860 CZ PHE A 59 -15.154 -17.577 11.927 1.00 0.00 C ATOM 0 H PHE A 59 -11.435 -19.530 10.563 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.435 -20.350 7.949 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.950 -20.228 8.173 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.132 -21.095 9.457 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.795 -19.970 11.683 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.227 -18.266 8.630 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -13.873 -18.523 13.352 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.305 -16.816 10.295 1.00 0.00 H new ATOM 0 HZ PHE A 59 -15.625 -16.938 12.659 1.00 0.00 H new ATOM 870 N GLU A 60 -12.736 -17.309 8.188 1.00 0.00 N ATOM 871 CA GLU A 60 -13.005 -16.091 7.433 1.00 0.00 C ATOM 872 C GLU A 60 -11.951 -15.026 7.723 1.00 0.00 C ATOM 873 O GLU A 60 -11.224 -15.110 8.713 1.00 0.00 O ATOM 874 CB GLU A 60 -14.397 -15.551 7.771 1.00 0.00 C ATOM 875 CG GLU A 60 -15.488 -16.059 6.844 1.00 0.00 C ATOM 876 CD GLU A 60 -16.752 -15.223 6.918 1.00 0.00 C ATOM 877 OE1 GLU A 60 -17.294 -15.066 8.032 1.00 0.00 O ATOM 878 OE2 GLU A 60 -17.198 -14.727 5.863 1.00 0.00 O ATOM 0 H GLU A 60 -13.027 -17.273 9.165 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.966 -16.337 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.645 -15.826 8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.375 -14.462 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.117 -16.061 5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.725 -17.092 7.099 1.00 0.00 H new ATOM 885 N LYS A 61 -11.873 -14.026 6.852 1.00 0.00 N ATOM 886 CA LYS A 61 -10.910 -12.944 7.012 1.00 0.00 C ATOM 887 C LYS A 61 -11.549 -11.595 6.699 1.00 0.00 C ATOM 888 O LYS A 61 -12.486 -11.509 5.904 1.00 0.00 O ATOM 889 CB LYS A 61 -9.700 -13.171 6.102 1.00 0.00 C ATOM 890 CG LYS A 61 -9.020 -14.511 6.319 1.00 0.00 C ATOM 891 CD LYS A 61 -8.353 -15.010 5.047 1.00 0.00 C ATOM 892 CE LYS A 61 -7.829 -16.428 5.212 1.00 0.00 C ATOM 893 NZ LYS A 61 -7.069 -16.881 4.014 1.00 0.00 N ATOM 0 H LYS A 61 -12.466 -13.943 6.027 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.579 -12.937 8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.019 -13.099 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.976 -12.374 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.275 -14.418 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.754 -15.242 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.067 -14.978 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.531 -14.346 4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.186 -16.478 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.664 -17.105 5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.787 -17.874 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.669 -16.794 3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.220 -16.292 3.898 1.00 0.00 H new ATOM 907 N THR A 62 -11.035 -10.542 7.327 1.00 0.00 N ATOM 908 CA THR A 62 -11.556 -9.197 7.115 1.00 0.00 C ATOM 909 C THR A 62 -10.450 -8.242 6.680 1.00 0.00 C ATOM 910 O THR A 62 -9.772 -7.641 7.513 1.00 0.00 O ATOM 911 CB THR A 62 -12.223 -8.645 8.388 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.272 -9.524 8.812 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.789 -7.254 8.144 1.00 0.00 C ATOM 0 H THR A 62 -10.259 -10.595 7.986 1.00 0.00 H new ATOM 0 HA THR A 62 -12.303 -9.269 6.325 1.00 0.00 H new ATOM 0 HB THR A 62 -11.465 -8.580 9.169 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.690 -9.167 9.623 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.255 -6.885 9.058 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.984 -6.580 7.850 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.534 -7.298 7.349 1.00 0.00 H new ATOM 921 N VAL A 63 -10.274 -8.105 5.370 1.00 0.00 N ATOM 922 CA VAL A 63 -9.251 -7.221 4.824 1.00 0.00 C ATOM 923 C VAL A 63 -9.847 -5.880 4.410 1.00 0.00 C ATOM 924 O VAL A 63 -10.755 -5.821 3.581 1.00 0.00 O ATOM 925 CB VAL A 63 -8.550 -7.856 3.608 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.409 -6.973 3.128 1.00 0.00 C ATOM 927 CG2 VAL A 63 -8.049 -9.250 3.951 1.00 0.00 C ATOM 0 H VAL A 63 -10.827 -8.595 4.667 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.517 -7.061 5.614 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.274 -7.944 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.926 -7.438 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.800 -5.997 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.682 -6.850 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.556 -9.684 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.340 -9.189 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.891 -9.878 4.242 1.00 0.00 H new ATOM 937 N LYS A 64 -9.330 -4.804 4.993 1.00 0.00 N ATOM 938 CA LYS A 64 -9.809 -3.462 4.685 1.00 0.00 C ATOM 939 C LYS A 64 -8.665 -2.453 4.724 1.00 0.00 C ATOM 940 O LYS A 64 -7.906 -2.400 5.692 1.00 0.00 O ATOM 941 CB LYS A 64 -10.902 -3.048 5.673 1.00 0.00 C ATOM 942 CG LYS A 64 -12.236 -3.730 5.425 1.00 0.00 C ATOM 943 CD LYS A 64 -13.031 -3.886 6.711 1.00 0.00 C ATOM 944 CE LYS A 64 -14.461 -4.323 6.433 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.357 -3.161 6.179 1.00 0.00 N ATOM 0 H LYS A 64 -8.579 -4.835 5.682 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.225 -3.475 3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.570 -3.276 6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.040 -1.968 5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.815 -3.149 4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.067 -4.710 4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.544 -4.619 7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.037 -2.940 7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.476 -4.989 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.838 -4.893 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.322 -3.501 5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.363 -2.539 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.012 -2.631 5.353 1.00 0.00 H new ATOM 959 N ILE A 65 -8.549 -1.655 3.668 1.00 0.00 N ATOM 960 CA ILE A 65 -7.500 -0.647 3.585 1.00 0.00 C ATOM 961 C ILE A 65 -7.976 0.690 4.141 1.00 0.00 C ATOM 962 O ILE A 65 -9.078 1.145 3.833 1.00 0.00 O ATOM 963 CB ILE A 65 -7.026 -0.447 2.133 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.447 -1.750 1.578 1.00 0.00 C ATOM 965 CG2 ILE A 65 -5.996 0.670 2.061 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.213 -2.224 2.313 1.00 0.00 C ATOM 0 H ILE A 65 -9.168 -1.687 2.858 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.666 -1.010 4.185 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.883 -0.164 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.210 -2.527 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.202 -1.610 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.671 0.799 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.440 1.598 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.138 0.414 2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.857 -3.152 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.434 -1.465 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.458 -2.397 3.361 1.00 0.00 H new ATOM 978 N ARG A 66 -7.138 1.316 4.961 1.00 0.00 N ATOM 979 CA ARG A 66 -7.473 2.602 5.560 1.00 0.00 C ATOM 980 C ARG A 66 -6.458 3.669 5.161 1.00 0.00 C ATOM 981 O ARG A 66 -5.311 3.645 5.607 1.00 0.00 O ATOM 982 CB ARG A 66 -7.529 2.480 7.084 1.00 0.00 C ATOM 983 CG ARG A 66 -8.888 2.050 7.611 1.00 0.00 C ATOM 984 CD ARG A 66 -9.069 0.543 7.521 1.00 0.00 C ATOM 985 NE ARG A 66 -10.424 0.132 7.879 1.00 0.00 N ATOM 986 CZ ARG A 66 -10.898 0.164 9.119 1.00 0.00 C ATOM 987 NH1 ARG A 66 -10.132 0.585 10.115 1.00 0.00 N ATOM 988 NH2 ARG A 66 -12.143 -0.227 9.365 1.00 0.00 N ATOM 0 H ARG A 66 -6.222 0.953 5.226 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.454 2.902 5.190 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.778 1.761 7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.264 3.440 7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.995 2.369 8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.674 2.547 7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.845 0.211 6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.355 0.052 8.182 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.040 -0.198 7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.175 0.886 9.930 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.499 0.608 11.066 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.736 -0.552 8.601 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.507 -0.202 10.318 1.00 0.00 H new ATOM 1002 N MET A 67 -6.888 4.603 4.319 1.00 0.00 N ATOM 1003 CA MET A 67 -6.016 5.678 3.861 1.00 0.00 C ATOM 1004 C MET A 67 -6.595 7.041 4.229 1.00 0.00 C ATOM 1005 O MET A 67 -7.807 7.251 4.161 1.00 0.00 O ATOM 1006 CB MET A 67 -5.812 5.589 2.348 1.00 0.00 C ATOM 1007 CG MET A 67 -5.271 6.869 1.731 1.00 0.00 C ATOM 1008 SD MET A 67 -4.243 6.560 0.282 1.00 0.00 S ATOM 1009 CE MET A 67 -5.486 6.117 -0.928 1.00 0.00 C ATOM 0 H MET A 67 -7.834 4.637 3.940 1.00 0.00 H new ATOM 0 HA MET A 67 -5.052 5.566 4.357 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.125 4.772 2.130 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.762 5.341 1.875 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.104 7.513 1.450 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.688 7.409 2.477 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.223 6.547 -1.894 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.538 5.032 -1.016 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.455 6.502 -0.612 1.00 0.00 H new ATOM 1019 N THR A 68 -5.722 7.965 4.617 1.00 0.00 N ATOM 1020 CA THR A 68 -6.147 9.307 4.996 1.00 0.00 C ATOM 1021 C THR A 68 -5.536 10.357 4.076 1.00 0.00 C ATOM 1022 O THR A 68 -4.529 10.107 3.413 1.00 0.00 O ATOM 1023 CB THR A 68 -5.759 9.628 6.452 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.447 10.805 6.893 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.258 9.835 6.579 1.00 0.00 C ATOM 0 H THR A 68 -4.716 7.809 4.677 1.00 0.00 H new ATOM 0 HA THR A 68 -7.233 9.334 4.902 1.00 0.00 H new ATOM 0 HB THR A 68 -6.047 8.783 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.357 10.808 6.529 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.008 10.060 7.616 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.738 8.928 6.269 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.950 10.665 5.943 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.151 11.535 4.040 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.667 12.625 3.200 1.00 0.00 C ATOM 1035 C PHE A 69 -5.620 13.934 3.982 1.00 0.00 C ATOM 1036 O PHE A 69 -5.511 15.013 3.399 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.562 12.784 1.969 1.00 0.00 C ATOM 1038 CG PHE A 69 -6.936 11.479 1.327 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -7.951 10.697 1.855 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -6.274 11.034 0.194 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -8.296 9.495 1.267 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -6.615 9.833 -0.399 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.628 9.063 0.137 1.00 0.00 C ATOM 0 H PHE A 69 -6.985 11.759 4.583 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.656 12.380 2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.471 13.312 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.050 13.407 1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.479 11.031 2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.482 11.633 -0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.087 8.894 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.090 9.497 -1.281 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.898 8.125 -0.326 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.704 13.831 5.303 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.670 15.006 6.166 1.00 0.00 C ATOM 1055 C ASP A 70 -4.671 14.817 7.303 1.00 0.00 C ATOM 1056 O ASP A 70 -4.959 15.137 8.457 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.062 15.287 6.735 1.00 0.00 C ATOM 1058 CG ASP A 70 -8.107 15.456 5.650 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -7.900 16.300 4.753 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -9.133 14.746 5.698 1.00 0.00 O ATOM 0 H ASP A 70 -5.796 12.945 5.800 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.352 15.858 5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.354 14.469 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.027 16.189 7.345 1.00 0.00 H new ATOM 1065 N THR A 71 -3.495 14.293 6.970 1.00 0.00 N ATOM 1066 CA THR A 71 -2.454 14.059 7.963 1.00 0.00 C ATOM 1067 C THR A 71 -2.974 13.203 9.113 1.00 0.00 C ATOM 1068 O THR A 71 -2.704 13.485 10.280 1.00 0.00 O ATOM 1069 CB THR A 71 -1.911 15.384 8.530 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.672 16.311 7.465 1.00 0.00 O ATOM 1071 CG2 THR A 71 -0.623 15.153 9.306 1.00 0.00 C ATOM 0 H THR A 71 -3.240 14.023 6.020 1.00 0.00 H new ATOM 0 HA THR A 71 -1.646 13.531 7.456 1.00 0.00 H new ATOM 0 HB THR A 71 -2.657 15.796 9.209 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.329 17.151 7.834 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.258 16.103 9.697 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.814 14.470 10.133 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.128 14.721 8.645 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.718 12.156 8.775 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.274 11.258 9.780 1.00 0.00 C ATOM 1081 C TRP A 72 -5.290 11.983 10.656 1.00 0.00 C ATOM 1082 O TRP A 72 -5.256 11.878 11.882 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.157 10.676 10.648 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.119 9.935 9.862 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -0.936 10.431 9.394 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.173 8.564 9.450 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.250 9.451 8.717 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -0.987 8.297 8.738 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.105 7.537 9.616 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -0.714 7.046 8.192 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -2.832 6.296 9.074 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -1.644 6.058 8.369 1.00 0.00 C ATOM 0 H TRP A 72 -3.950 11.908 7.813 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.783 10.445 9.262 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.677 11.484 11.199 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.593 10.002 11.386 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.590 11.444 9.535 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.660 9.565 8.271 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.023 7.710 10.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.200 6.862 7.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.546 5.495 9.196 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.459 5.077 7.958 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.195 12.719 10.019 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.222 13.462 10.740 1.00 0.00 C ATOM 1105 C LYS A 73 -8.617 13.026 10.301 1.00 0.00 C ATOM 1106 O LYS A 73 -9.607 13.308 10.976 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.050 14.965 10.510 1.00 0.00 C ATOM 1108 CG LYS A 73 -5.867 15.562 11.252 1.00 0.00 C ATOM 1109 CD LYS A 73 -6.129 17.005 11.650 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.156 17.921 10.436 1.00 0.00 C ATOM 1111 NZ LYS A 73 -6.683 19.273 10.774 1.00 0.00 N ATOM 0 H LYS A 73 -6.238 12.817 9.005 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.111 13.249 11.803 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.929 15.149 9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.960 15.478 10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.659 14.970 12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.979 15.513 10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.080 17.071 12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.356 17.339 12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.149 18.015 10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.774 17.474 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.686 19.868 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.653 19.186 11.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.079 19.710 11.499 1.00 0.00 H new ATOM 1125 N SER A 74 -8.687 12.335 9.168 1.00 0.00 N ATOM 1126 CA SER A 74 -9.960 11.862 8.638 1.00 0.00 C ATOM 1127 C SER A 74 -9.743 10.944 7.439 1.00 0.00 C ATOM 1128 O SER A 74 -9.152 11.343 6.436 1.00 0.00 O ATOM 1129 CB SER A 74 -10.840 13.047 8.234 1.00 0.00 C ATOM 1130 OG SER A 74 -12.057 12.605 7.657 1.00 0.00 O ATOM 0 H SER A 74 -7.877 12.090 8.599 1.00 0.00 H new ATOM 0 HA SER A 74 -10.463 11.295 9.421 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.051 13.662 9.109 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.304 13.676 7.523 1.00 0.00 H new ATOM 0 HG SER A 74 -12.602 13.381 7.409 1.00 0.00 H new ATOM 1136 N TYR A 75 -10.224 9.711 7.552 1.00 0.00 N ATOM 1137 CA TYR A 75 -10.081 8.733 6.480 1.00 0.00 C ATOM 1138 C TYR A 75 -11.341 7.883 6.346 1.00 0.00 C ATOM 1139 O TYR A 75 -12.256 7.973 7.165 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.871 7.835 6.739 1.00 0.00 C ATOM 1141 CG TYR A 75 -8.798 7.309 8.155 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.634 6.283 8.579 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -7.896 7.839 9.068 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -9.572 5.800 9.872 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -7.826 7.361 10.362 1.00 0.00 C ATOM 1146 CZ TYR A 75 -8.666 6.342 10.760 1.00 0.00 C ATOM 1147 OH TYR A 75 -8.601 5.864 12.048 1.00 0.00 O ATOM 0 H TYR A 75 -10.717 9.365 8.375 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.930 9.275 5.546 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.900 6.992 6.049 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.961 8.394 6.521 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.344 5.856 7.886 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.238 8.639 8.761 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.229 5.003 10.186 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.117 7.783 11.059 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.911 6.352 12.544 1.00 0.00 H new ATOM 1157 N THR A 76 -11.380 7.055 5.306 1.00 0.00 N ATOM 1158 CA THR A 76 -12.526 6.188 5.063 1.00 0.00 C ATOM 1159 C THR A 76 -12.097 4.731 4.939 1.00 0.00 C ATOM 1160 O THR A 76 -11.026 4.432 4.409 1.00 0.00 O ATOM 1161 CB THR A 76 -13.281 6.600 3.785 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.541 8.008 3.801 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.592 5.838 3.661 1.00 0.00 C ATOM 0 H THR A 76 -10.631 6.967 4.619 1.00 0.00 H new ATOM 0 HA THR A 76 -13.191 6.296 5.920 1.00 0.00 H new ATOM 0 HB THR A 76 -12.655 6.357 2.926 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.020 8.262 2.984 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.107 6.146 2.751 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.388 4.768 3.618 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.221 6.053 4.525 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.938 3.827 5.430 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.645 2.400 5.372 1.00 0.00 C ATOM 1173 C ASP A 77 -13.148 1.795 4.065 1.00 0.00 C ATOM 1174 O ASP A 77 -14.351 1.757 3.809 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.282 1.679 6.561 1.00 0.00 C ATOM 1176 CG ASP A 77 -14.786 1.547 6.420 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -15.423 2.506 5.934 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -15.327 0.486 6.795 1.00 0.00 O ATOM 0 H ASP A 77 -13.828 4.057 5.872 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.563 2.273 5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.841 0.687 6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.052 2.223 7.477 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.218 1.323 3.241 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.566 0.722 1.959 1.00 0.00 C ATOM 1185 C PHE A 78 -12.445 -0.798 2.021 1.00 0.00 C ATOM 1186 O PHE A 78 -11.382 -1.351 2.306 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.665 1.272 0.852 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.418 2.749 0.958 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.418 3.656 0.646 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.186 3.231 1.370 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.194 5.017 0.744 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -9.957 4.591 1.470 1.00 0.00 C ATOM 1193 CZ PHE A 78 -10.962 5.485 1.155 1.00 0.00 C ATOM 0 H PHE A 78 -11.218 1.345 3.438 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.602 0.978 1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.709 0.749 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.119 1.056 -0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.383 3.296 0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.396 2.537 1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.982 5.713 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.993 4.954 1.794 1.00 0.00 H new ATOM 0 HZ PHE A 78 -10.784 6.548 1.230 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.560 -1.492 1.748 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.606 -2.957 1.766 1.00 0.00 C ATOM 1205 C PRO A 79 -12.822 -3.575 0.613 1.00 0.00 C ATOM 1206 O PRO A 79 -12.914 -3.120 -0.528 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.098 -3.267 1.625 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.668 -2.078 0.930 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.863 -0.899 1.400 1.00 0.00 C ATOM 0 HA PRO A 79 -13.155 -3.368 2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.260 -4.178 1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.565 -3.418 2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.602 -2.189 -0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.723 -1.952 1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.765 -0.143 0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.326 -0.413 2.259 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.052 -4.614 0.918 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.251 -5.295 -0.094 1.00 0.00 C ATOM 1219 C CYS A 80 -12.085 -6.331 -0.840 1.00 0.00 C ATOM 1220 O CYS A 80 -13.073 -6.842 -0.313 1.00 0.00 O ATOM 1221 CB CYS A 80 -10.039 -5.967 0.553 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.657 -4.846 0.873 1.00 0.00 S ATOM 0 H CYS A 80 -11.965 -5.003 1.857 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.905 -4.550 -0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.349 -6.423 1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.696 -6.774 -0.094 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.544 -5.517 0.868 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.680 -6.636 -2.068 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.391 -7.610 -2.888 1.00 0.00 C ATOM 1230 C GLN A 81 -11.596 -8.905 -3.008 1.00 0.00 C ATOM 1231 O GLN A 81 -10.414 -8.953 -2.665 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.666 -7.035 -4.278 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.847 -6.079 -4.320 1.00 0.00 C ATOM 1234 CD GLN A 81 -15.162 -6.787 -4.575 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -15.527 -7.049 -5.721 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -15.883 -7.101 -3.505 1.00 0.00 N ATOM 0 H GLN A 81 -10.863 -6.223 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.340 -7.833 -2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.775 -6.514 -4.629 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.849 -7.856 -4.972 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.907 -5.540 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.681 -5.337 -5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.542 -6.865 -2.573 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.778 -7.578 -3.615 1.00 0.00 H new ATOM 1245 N TYR A 82 -12.251 -9.953 -3.495 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.605 -11.250 -3.658 1.00 0.00 C ATOM 1247 C TYR A 82 -11.267 -11.511 -5.123 1.00 0.00 C ATOM 1248 O TYR A 82 -12.124 -11.397 -5.999 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.508 -12.363 -3.125 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.988 -13.754 -3.411 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -10.925 -14.281 -2.689 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -12.560 -14.540 -4.404 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -10.446 -15.551 -2.947 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -12.088 -15.811 -4.668 1.00 0.00 C ATOM 1255 CZ TYR A 82 -11.031 -16.312 -3.937 1.00 0.00 C ATOM 1256 OH TYR A 82 -10.558 -17.578 -4.199 1.00 0.00 O ATOM 0 H TYR A 82 -13.229 -9.930 -3.784 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.677 -11.239 -3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.623 -12.242 -2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.499 -12.257 -3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.465 -13.688 -1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.387 -14.151 -4.979 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.618 -15.945 -2.377 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.544 -16.409 -5.443 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.081 -17.979 -4.924 1.00 0.00 H new ATOM 1266 N VAL A 83 -10.011 -11.861 -5.380 1.00 0.00 N ATOM 1267 CA VAL A 83 -9.559 -12.141 -6.738 1.00 0.00 C ATOM 1268 C VAL A 83 -9.455 -13.642 -6.985 1.00 0.00 C ATOM 1269 O VAL A 83 -8.624 -14.325 -6.387 1.00 0.00 O ATOM 1270 CB VAL A 83 -8.191 -11.490 -7.019 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -7.642 -11.957 -8.358 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -8.305 -9.974 -6.978 1.00 0.00 C ATOM 0 H VAL A 83 -9.289 -11.957 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.302 -11.716 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.493 -11.800 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.676 -11.487 -8.539 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.521 -13.040 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.335 -11.679 -9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.330 -9.530 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.017 -9.642 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.650 -9.662 -5.992 1.00 0.00 H new ATOM 1415 N ASP A 93 -5.153 -16.844 0.047 1.00 0.00 N ATOM 1416 CA ASP A 93 -6.069 -16.064 -0.777 1.00 0.00 C ATOM 1417 C ASP A 93 -5.448 -14.724 -1.161 1.00 0.00 C ATOM 1418 O ASP A 93 -4.538 -14.234 -0.492 1.00 0.00 O ATOM 1419 CB ASP A 93 -7.387 -15.835 -0.036 1.00 0.00 C ATOM 1420 CG ASP A 93 -8.198 -17.108 0.109 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -7.671 -18.085 0.681 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -9.359 -17.128 -0.350 1.00 0.00 O ATOM 0 HA ASP A 93 -6.267 -16.627 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.178 -15.426 0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.977 -15.091 -0.571 1.00 0.00 H new ATOM 1427 N THR A 94 -5.946 -14.136 -2.244 1.00 0.00 N ATOM 1428 CA THR A 94 -5.439 -12.855 -2.719 1.00 0.00 C ATOM 1429 C THR A 94 -6.554 -11.819 -2.803 1.00 0.00 C ATOM 1430 O THR A 94 -7.437 -11.911 -3.656 1.00 0.00 O ATOM 1431 CB THR A 94 -4.775 -12.991 -4.103 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.690 -13.923 -4.036 1.00 0.00 O ATOM 1433 CG2 THR A 94 -4.264 -11.644 -4.592 1.00 0.00 C ATOM 0 H THR A 94 -6.700 -14.527 -2.809 1.00 0.00 H new ATOM 0 HA THR A 94 -4.693 -12.524 -1.997 1.00 0.00 H new ATOM 0 HB THR A 94 -5.523 -13.355 -4.807 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.043 -14.826 -3.893 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.799 -11.765 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 94 -5.097 -10.945 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.529 -11.256 -3.887 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.509 -10.833 -1.913 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.516 -9.780 -1.886 1.00 0.00 C ATOM 1443 C PHE A 95 -7.012 -8.527 -2.595 1.00 0.00 C ATOM 1444 O PHE A 95 -5.898 -8.066 -2.347 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.896 -9.444 -0.442 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.488 -10.604 0.307 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.671 -11.578 0.860 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.860 -10.721 0.458 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -8.212 -12.646 1.550 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.407 -11.787 1.148 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.582 -12.751 1.693 1.00 0.00 C ATOM 0 H PHE A 95 -5.785 -10.742 -1.200 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.399 -10.144 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.009 -9.095 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.610 -8.621 -0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.599 -11.501 0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.510 -9.971 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.565 -13.398 1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.478 -11.866 1.261 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.007 -13.586 2.230 1.00 0.00 H new ATOM 1461 N SER A 96 -7.840 -7.980 -3.480 1.00 0.00 N ATOM 1462 CA SER A 96 -7.478 -6.783 -4.229 1.00 0.00 C ATOM 1463 C SER A 96 -8.198 -5.557 -3.676 1.00 0.00 C ATOM 1464 O SER A 96 -9.310 -5.657 -3.158 1.00 0.00 O ATOM 1465 CB SER A 96 -7.815 -6.962 -5.711 1.00 0.00 C ATOM 1466 OG SER A 96 -7.650 -5.746 -6.421 1.00 0.00 O ATOM 0 H SER A 96 -8.767 -8.348 -3.696 1.00 0.00 H new ATOM 0 HA SER A 96 -6.404 -6.629 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.173 -7.729 -6.143 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.843 -7.311 -5.814 1.00 0.00 H new ATOM 0 HG SER A 96 -7.870 -5.886 -7.366 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.555 -4.400 -3.790 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.133 -3.153 -3.301 1.00 0.00 C ATOM 1474 C PHE A 97 -8.067 -2.067 -4.371 1.00 0.00 C ATOM 1475 O PHE A 97 -7.036 -1.877 -5.015 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.402 -2.688 -2.040 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.007 -2.196 -2.303 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -5.786 -0.903 -2.747 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -4.917 -3.028 -2.104 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.504 -0.449 -2.990 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.632 -2.579 -2.345 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.425 -1.287 -2.788 1.00 0.00 C ATOM 0 H PHE A 97 -6.634 -4.299 -4.216 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.180 -3.337 -3.059 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.977 -1.891 -1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.360 -3.513 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.625 -0.242 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.073 -4.039 -1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.346 0.561 -3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.791 -3.238 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.422 -0.933 -2.976 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.175 -1.358 -4.554 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.245 -0.290 -5.545 1.00 0.00 C ATOM 1494 C ASP A 98 -9.816 0.985 -4.931 1.00 0.00 C ATOM 1495 O ASP A 98 -11.020 1.084 -4.690 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.100 -0.725 -6.736 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.538 -1.006 -6.344 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -11.764 -1.456 -5.201 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -12.436 -0.776 -7.180 1.00 0.00 O ATOM 0 H ASP A 98 -10.037 -1.503 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.233 -0.083 -5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.080 0.054 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.667 -1.620 -7.183 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.945 1.956 -4.679 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.363 3.223 -4.093 1.00 0.00 C ATOM 1506 C ILE A 99 -9.298 4.351 -5.118 1.00 0.00 C ATOM 1507 O ILE A 99 -8.339 4.453 -5.884 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.492 3.597 -2.880 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.713 2.601 -1.739 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.803 5.014 -2.421 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.535 2.491 -0.797 1.00 0.00 C ATOM 0 H ILE A 99 -7.946 1.889 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.394 3.093 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.444 3.554 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.595 2.900 -1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.924 1.618 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.179 5.264 -1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.600 5.712 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.853 5.083 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.762 1.768 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.656 2.162 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.337 3.464 -0.347 1.00 0.00 H new ATOM 1523 N SER A 100 -10.324 5.196 -5.126 1.00 0.00 N ATOM 1524 CA SER A 100 -10.384 6.316 -6.058 1.00 0.00 C ATOM 1525 C SER A 100 -9.846 7.589 -5.414 1.00 0.00 C ATOM 1526 O SER A 100 -10.540 8.247 -4.638 1.00 0.00 O ATOM 1527 CB SER A 100 -11.823 6.537 -6.529 1.00 0.00 C ATOM 1528 OG SER A 100 -12.725 6.527 -5.436 1.00 0.00 O ATOM 0 H SER A 100 -11.125 5.126 -4.498 1.00 0.00 H new ATOM 0 HA SER A 100 -9.760 6.075 -6.919 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.895 7.489 -7.055 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.100 5.759 -7.240 1.00 0.00 H new ATOM 0 HG SER A 100 -12.374 7.092 -4.717 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.604 7.931 -5.740 1.00 0.00 N ATOM 1535 CA LEU A 101 -7.971 9.126 -5.194 1.00 0.00 C ATOM 1536 C LEU A 101 -8.973 10.270 -5.080 1.00 0.00 C ATOM 1537 O LEU A 101 -9.957 10.341 -5.817 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.793 9.550 -6.072 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.622 8.569 -6.144 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.551 9.084 -7.094 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.039 8.332 -4.758 1.00 0.00 C ATOM 0 H LEU A 101 -8.016 7.397 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.604 8.888 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.162 9.719 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.418 10.506 -5.706 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.992 7.619 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.726 8.373 -7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.975 9.202 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.184 10.047 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.207 7.631 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.684 9.277 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.808 7.918 -4.106 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.718 11.189 -4.137 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.585 12.349 -3.907 1.00 0.00 C ATOM 1555 C PRO A 102 -9.518 13.358 -5.047 1.00 0.00 C ATOM 1556 O PRO A 102 -8.848 13.127 -6.054 1.00 0.00 O ATOM 1557 CB PRO A 102 -9.027 12.959 -2.619 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.601 12.527 -2.582 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.564 11.167 -3.223 1.00 0.00 C ATOM 0 HA PRO A 102 -10.635 12.066 -3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.111 14.046 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.571 12.603 -1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.966 13.230 -3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.232 12.486 -1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.630 11.001 -3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.653 10.372 -2.483 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.104 15.573 3.845 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.387 14.314 3.683 1.00 0.00 C ATOM 1689 C ARG A 110 -1.341 13.192 3.284 1.00 0.00 C ATOM 1690 O ARG A 110 -2.548 13.284 3.503 1.00 0.00 O ATOM 1691 CB ARG A 110 0.338 13.945 4.979 1.00 0.00 C ATOM 1692 CG ARG A 110 1.600 13.127 4.760 1.00 0.00 C ATOM 1693 CD ARG A 110 2.585 13.306 5.904 1.00 0.00 C ATOM 1694 NE ARG A 110 3.186 14.637 5.906 1.00 0.00 N ATOM 1695 CZ ARG A 110 4.247 14.963 6.636 1.00 0.00 C ATOM 1696 NH1 ARG A 110 4.821 14.060 7.419 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.736 16.196 6.584 1.00 0.00 N ATOM 0 HA ARG A 110 0.347 14.443 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.596 14.859 5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.343 13.383 5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.340 12.073 4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.070 13.426 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.074 13.138 6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.370 12.554 5.827 1.00 0.00 H new ATOM 0 HE ARG A 110 2.768 15.356 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.448 13.112 7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.635 14.314 7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.297 16.894 5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.551 16.446 7.145 1.00 0.00 H new ATOM 1711 N MET A 111 -0.790 12.135 2.696 1.00 0.00 N ATOM 1712 CA MET A 111 -1.592 10.996 2.266 1.00 0.00 C ATOM 1713 C MET A 111 -0.875 9.683 2.562 1.00 0.00 C ATOM 1714 O MET A 111 0.195 9.414 2.017 1.00 0.00 O ATOM 1715 CB MET A 111 -1.900 11.096 0.770 1.00 0.00 C ATOM 1716 CG MET A 111 -2.321 9.776 0.147 1.00 0.00 C ATOM 1717 SD MET A 111 -3.171 9.992 -1.429 1.00 0.00 S ATOM 1718 CE MET A 111 -1.801 10.429 -2.496 1.00 0.00 C ATOM 0 H MET A 111 0.208 12.044 2.507 1.00 0.00 H new ATOM 0 HA MET A 111 -2.528 11.012 2.824 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.693 11.829 0.619 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.018 11.469 0.250 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.440 9.152 -0.002 1.00 0.00 H new ATOM 0 HG3 MET A 111 -2.975 9.244 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 111 -2.006 11.384 -2.979 1.00 0.00 H new ATOM 0 HE2 MET A 111 -0.890 10.510 -1.903 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.672 9.659 -3.256 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.470 8.871 3.429 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.886 7.587 3.798 1.00 0.00 C ATOM 1730 C GLU A 112 -1.966 6.519 3.943 1.00 0.00 C ATOM 1731 O GLU A 112 -3.130 6.828 4.200 1.00 0.00 O ATOM 1732 CB GLU A 112 -0.101 7.715 5.105 1.00 0.00 C ATOM 1733 CG GLU A 112 0.699 9.002 5.211 1.00 0.00 C ATOM 1734 CD GLU A 112 -0.095 10.134 5.833 1.00 0.00 C ATOM 1735 OE1 GLU A 112 -1.290 10.275 5.498 1.00 0.00 O ATOM 1736 OE2 GLU A 112 0.478 10.878 6.656 1.00 0.00 O ATOM 0 H GLU A 112 -2.356 9.079 3.889 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.205 7.285 3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.796 7.659 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.578 6.867 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.594 8.821 5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.033 9.301 4.217 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.572 5.261 3.776 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.506 4.146 3.887 1.00 0.00 C ATOM 1745 C PHE A 113 -1.854 2.957 4.587 1.00 0.00 C ATOM 1746 O PHE A 113 -0.709 2.607 4.302 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.000 3.727 2.500 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.063 2.796 1.786 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.045 1.444 2.088 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.200 3.273 0.813 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.184 0.584 1.432 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.337 2.418 0.153 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.328 1.072 0.464 1.00 0.00 C ATOM 0 H PHE A 113 -0.613 4.988 3.563 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.356 4.475 4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.972 3.245 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.147 4.619 1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.711 1.057 2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.201 4.325 0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.181 -0.468 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.330 2.802 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.347 0.403 -0.049 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.591 2.342 5.505 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.086 1.192 6.246 1.00 0.00 C ATOM 1765 C ALA A 114 -3.033 0.003 6.125 1.00 0.00 C ATOM 1766 O ALA A 114 -4.242 0.137 6.316 1.00 0.00 O ATOM 1767 CB ALA A 114 -1.877 1.557 7.708 1.00 0.00 C ATOM 0 H ALA A 114 -3.540 2.620 5.754 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.127 0.905 5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.500 0.689 8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.156 2.371 7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.825 1.872 8.143 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.476 -1.161 5.807 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.271 -2.375 5.661 1.00 0.00 C ATOM 1775 C VAL A 115 -3.778 -2.865 7.013 1.00 0.00 C ATOM 1776 O VAL A 115 -3.047 -2.853 8.004 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.460 -3.500 4.991 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.334 -4.723 4.758 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -1.853 -3.012 3.684 1.00 0.00 C ATOM 0 H VAL A 115 -1.477 -1.289 5.645 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.121 -2.123 5.027 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.647 -3.786 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.744 -5.507 4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.717 -5.084 5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.169 -4.456 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.283 -3.819 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.649 -2.698 3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.192 -2.169 3.882 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.033 -3.297 7.046 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.640 -3.791 8.277 1.00 0.00 C ATOM 1791 C TYR A 116 -6.286 -5.155 8.057 1.00 0.00 C ATOM 1792 O TYR A 116 -7.383 -5.254 7.506 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.683 -2.797 8.790 1.00 0.00 C ATOM 1794 CG TYR A 116 -7.820 -3.448 9.545 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.573 -4.291 10.621 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.141 -3.219 9.182 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.609 -4.888 11.313 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.184 -3.811 9.868 1.00 0.00 C ATOM 1799 CZ TYR A 116 -9.912 -4.645 10.933 1.00 0.00 C ATOM 1800 OH TYR A 116 -10.947 -5.237 11.620 1.00 0.00 O ATOM 0 H TYR A 116 -5.651 -3.315 6.234 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.852 -3.899 9.023 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.193 -2.073 9.441 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.090 -2.242 7.945 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.554 -4.483 10.922 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.357 -2.567 8.349 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.399 -5.541 12.147 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.206 -3.622 9.573 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.801 -4.961 11.226 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.598 -6.205 8.493 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.103 -7.564 8.343 1.00 0.00 C ATOM 1812 C TYR A 117 -6.541 -8.134 9.689 1.00 0.00 C ATOM 1813 O TYR A 117 -5.711 -8.473 10.531 1.00 0.00 O ATOM 1814 CB TYR A 117 -5.032 -8.462 7.721 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.236 -9.934 8.004 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.439 -10.559 7.702 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.225 -10.698 8.573 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.630 -11.903 7.960 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.407 -12.043 8.834 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.611 -12.640 8.526 1.00 0.00 C ATOM 1821 OH TYR A 117 -5.797 -13.979 8.783 1.00 0.00 O ATOM 0 H TYR A 117 -4.690 -6.141 8.953 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.970 -7.532 7.683 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -5.021 -8.306 6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.054 -8.161 8.097 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.239 -9.985 7.258 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.281 -10.233 8.816 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.572 -12.374 7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -3.611 -12.623 9.277 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.746 -14.150 8.957 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.853 -8.237 9.881 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.402 -8.766 11.124 1.00 0.00 C ATOM 1833 C GLU A 118 -8.625 -10.272 11.023 1.00 0.00 C ATOM 1834 O GLU A 118 -9.124 -10.770 10.014 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.720 -8.066 11.464 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.030 -8.040 12.951 1.00 0.00 C ATOM 1837 CD GLU A 118 -11.502 -7.814 13.236 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -12.338 -8.507 12.620 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -11.817 -6.945 14.075 1.00 0.00 O ATOM 0 H GLU A 118 -8.554 -7.962 9.193 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.682 -8.575 11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.685 -7.042 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.534 -8.568 10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.717 -8.983 13.400 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.446 -7.252 13.426 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.251 -10.991 12.076 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.409 -12.441 12.107 1.00 0.00 C ATOM 1848 C CYS A 119 -8.112 -12.991 13.498 1.00 0.00 C ATOM 1849 O CYS A 119 -7.195 -12.529 14.176 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.486 -13.096 11.078 1.00 0.00 C ATOM 1851 SG CYS A 119 -8.038 -14.727 10.525 1.00 0.00 S ATOM 0 H CYS A 119 -7.836 -10.594 12.919 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.444 -12.675 11.858 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.401 -12.440 10.212 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.488 -13.188 11.507 1.00 0.00 H new ATOM 0 HG CYS A 119 -9.228 -14.631 10.010 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.896 -13.979 13.917 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.718 -14.591 15.229 1.00 0.00 C ATOM 1859 C ASN A 120 -8.801 -13.542 16.334 1.00 0.00 C ATOM 1860 O ASN A 120 -8.054 -13.592 17.310 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.373 -15.316 15.299 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.452 -16.734 14.768 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -8.255 -17.540 15.237 1.00 0.00 O ATOM 1864 ND2 ASN A 120 -6.616 -17.045 13.785 1.00 0.00 N ATOM 0 H ASN A 120 -9.660 -14.373 13.368 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.520 -15.314 15.377 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.632 -14.758 14.727 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.028 -15.337 16.333 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.623 -17.984 13.388 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.967 -16.345 13.427 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.717 -12.591 16.173 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.882 -11.544 17.164 1.00 0.00 C ATOM 1873 C GLY A 121 -8.633 -10.700 17.329 1.00 0.00 C ATOM 1874 O GLY A 121 -8.350 -10.207 18.420 1.00 0.00 O ATOM 0 H GLY A 121 -10.347 -12.527 15.374 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.715 -10.903 16.875 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.143 -11.993 18.122 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.885 -10.536 16.243 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.659 -9.747 16.274 1.00 0.00 C ATOM 1880 C GLN A 122 -6.719 -8.608 15.262 1.00 0.00 C ATOM 1881 O GLN A 122 -7.737 -8.402 14.601 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.448 -10.637 15.986 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.170 -11.658 17.078 1.00 0.00 C ATOM 1884 CD GLN A 122 -4.966 -11.018 18.437 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -4.161 -10.098 18.588 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -5.696 -11.502 19.435 1.00 0.00 N ATOM 0 H GLN A 122 -8.106 -10.938 15.332 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.558 -9.318 17.271 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.608 -11.160 15.043 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.568 -10.008 15.856 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -6.001 -12.361 17.133 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.283 -12.233 16.815 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -6.351 -12.265 19.264 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -5.602 -11.111 20.372 1.00 0.00 H new ATOM 1895 N THR A 123 -5.620 -7.868 15.146 1.00 0.00 N ATOM 1896 CA THR A 123 -5.549 -6.748 14.216 1.00 0.00 C ATOM 1897 C THR A 123 -4.106 -6.452 13.821 1.00 0.00 C ATOM 1898 O THR A 123 -3.303 -6.018 14.647 1.00 0.00 O ATOM 1899 CB THR A 123 -6.174 -5.476 14.819 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.515 -5.743 15.243 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.174 -4.340 13.807 1.00 0.00 C ATOM 0 H THR A 123 -4.768 -8.024 15.684 1.00 0.00 H new ATOM 0 HA THR A 123 -6.114 -7.037 13.330 1.00 0.00 H new ATOM 0 HB THR A 123 -5.574 -5.176 15.678 1.00 0.00 H new ATOM 0 HG1 THR A 123 -7.905 -4.930 15.627 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.620 -3.453 14.256 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.149 -4.119 13.508 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.752 -4.633 12.931 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.784 -6.690 12.554 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.437 -6.451 12.050 1.00 0.00 C ATOM 1911 C TYR A 124 -2.384 -5.169 11.224 1.00 0.00 C ATOM 1912 O TYR A 124 -3.250 -4.922 10.386 1.00 0.00 O ATOM 1913 CB TYR A 124 -1.969 -7.636 11.204 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.036 -8.961 11.929 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.156 -9.256 12.962 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -2.981 -9.918 11.580 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.213 -10.466 13.627 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.047 -11.131 12.240 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.161 -11.400 13.262 1.00 0.00 C ATOM 1920 OH TYR A 124 -2.222 -12.606 13.922 1.00 0.00 O ATOM 0 H TYR A 124 -4.438 -7.048 11.858 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.771 -6.338 12.905 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.580 -7.693 10.303 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -0.943 -7.459 10.882 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.414 -8.527 13.251 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.676 -9.711 10.780 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -0.520 -10.679 14.427 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -3.788 -11.864 11.957 1.00 0.00 H new ATOM 0 HH TYR A 124 -2.945 -13.149 13.544 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.360 -4.359 11.468 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.192 -3.102 10.746 1.00 0.00 C ATOM 1932 C TRP A 125 0.185 -3.028 10.097 1.00 0.00 C ATOM 1933 O TRP A 125 1.202 -2.940 10.785 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.388 -1.917 11.693 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.807 -1.745 12.144 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.349 -2.168 13.324 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.865 -1.107 11.421 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.680 -1.830 13.378 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -5.021 -1.178 12.223 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -3.948 -0.480 10.174 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.242 -0.647 11.817 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.161 0.046 9.773 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.295 -0.039 10.593 1.00 0.00 C ATOM 0 H TRP A 125 -0.634 -4.549 12.159 1.00 0.00 H new ATOM 0 HA TRP A 125 -1.946 -3.059 9.960 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.750 -2.050 12.567 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.060 -1.005 11.195 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.811 -2.691 14.101 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.312 -2.032 14.153 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.080 -0.408 9.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -7.117 -0.713 12.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.237 0.531 8.811 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.228 0.384 10.252 1.00 0.00 H new ATOM 1954 N ASP A 126 0.211 -3.063 8.769 1.00 0.00 N ATOM 1955 CA ASP A 126 1.464 -2.997 8.026 1.00 0.00 C ATOM 1956 C ASP A 126 1.645 -1.625 7.384 1.00 0.00 C ATOM 1957 O ASP A 126 0.974 -1.293 6.407 1.00 0.00 O ATOM 1958 CB ASP A 126 1.502 -4.086 6.952 1.00 0.00 C ATOM 1959 CG ASP A 126 2.915 -4.416 6.514 1.00 0.00 C ATOM 1960 OD1 ASP A 126 3.549 -5.279 7.156 1.00 0.00 O ATOM 1961 OD2 ASP A 126 3.388 -3.812 5.528 1.00 0.00 O ATOM 0 H ASP A 126 -0.622 -3.137 8.185 1.00 0.00 H new ATOM 0 HA ASP A 126 2.282 -3.160 8.727 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.023 -4.987 7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.923 -3.761 6.088 1.00 0.00 H new ATOM 1966 N SER A 127 2.554 -0.832 7.941 1.00 0.00 N ATOM 1967 CA SER A 127 2.820 0.506 7.426 1.00 0.00 C ATOM 1968 C SER A 127 4.306 0.691 7.136 1.00 0.00 C ATOM 1969 O SER A 127 5.093 0.985 8.035 1.00 0.00 O ATOM 1970 CB SER A 127 2.348 1.563 8.426 1.00 0.00 C ATOM 1971 OG SER A 127 3.188 1.597 9.567 1.00 0.00 O ATOM 0 H SER A 127 3.119 -1.093 8.749 1.00 0.00 H new ATOM 0 HA SER A 127 2.268 0.626 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.339 2.542 7.948 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.324 1.348 8.731 1.00 0.00 H new ATOM 0 HG SER A 127 4.123 1.667 9.283 1.00 0.00 H new ATOM 1977 N ASN A 128 4.683 0.517 5.874 1.00 0.00 N ATOM 1978 CA ASN A 128 6.074 0.665 5.464 1.00 0.00 C ATOM 1979 C ASN A 128 7.019 0.179 6.560 1.00 0.00 C ATOM 1980 O ASN A 128 8.117 0.710 6.727 1.00 0.00 O ATOM 1981 CB ASN A 128 6.376 2.126 5.125 1.00 0.00 C ATOM 1982 CG ASN A 128 5.956 2.491 3.714 1.00 0.00 C ATOM 1983 OD1 ASN A 128 5.397 1.668 2.989 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.223 3.730 3.319 1.00 0.00 N ATOM 0 H ASN A 128 4.044 0.273 5.117 1.00 0.00 H new ATOM 0 HA ASN A 128 6.231 0.054 4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 128 5.861 2.775 5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.444 2.310 5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.963 4.033 2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.688 4.379 3.954 1.00 0.00 H new ATOM 1991 N ARG A 129 6.583 -0.832 7.303 1.00 0.00 N ATOM 1992 CA ARG A 129 7.389 -1.389 8.383 1.00 0.00 C ATOM 1993 C ARG A 129 8.201 -0.297 9.074 1.00 0.00 C ATOM 1994 O ARG A 129 9.313 -0.538 9.541 1.00 0.00 O ATOM 1995 CB ARG A 129 8.325 -2.472 7.844 1.00 0.00 C ATOM 1996 CG ARG A 129 7.715 -3.864 7.853 1.00 0.00 C ATOM 1997 CD ARG A 129 8.750 -4.928 7.524 1.00 0.00 C ATOM 1998 NE ARG A 129 9.735 -5.082 8.592 1.00 0.00 N ATOM 1999 CZ ARG A 129 10.862 -4.383 8.658 1.00 0.00 C ATOM 2000 NH1 ARG A 129 11.146 -3.486 7.724 1.00 0.00 N ATOM 2001 NH2 ARG A 129 11.708 -4.580 9.662 1.00 0.00 N ATOM 0 H ARG A 129 5.676 -1.282 7.177 1.00 0.00 H new ATOM 0 HA ARG A 129 6.714 -1.834 9.114 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.612 -2.217 6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 129 9.238 -2.481 8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 129 7.282 -4.066 8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 129 6.901 -3.910 7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 129 8.249 -5.881 7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 129 9.259 -4.664 6.597 1.00 0.00 H new ATOM 0 HE ARG A 129 9.547 -5.764 9.327 1.00 0.00 H new ATOM 0 HH11 ARG A 129 10.498 -3.331 6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 129 12.013 -2.951 7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 129 11.492 -5.269 10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 129 12.574 -4.043 9.712 1.00 0.00 H new ATOM 2015 N GLY A 130 7.636 0.905 9.134 1.00 0.00 N ATOM 2016 CA GLY A 130 8.322 2.016 9.768 1.00 0.00 C ATOM 2017 C GLY A 130 7.388 3.166 10.091 1.00 0.00 C ATOM 2018 O GLY A 130 6.742 3.175 11.140 1.00 0.00 O ATOM 0 H GLY A 130 6.716 1.129 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.797 1.669 10.686 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.117 2.371 9.112 1.00 0.00 H new ATOM 2022 N LYS A 131 7.315 4.139 9.189 1.00 0.00 N ATOM 2023 CA LYS A 131 6.454 5.299 9.383 1.00 0.00 C ATOM 2024 C LYS A 131 5.081 5.067 8.761 1.00 0.00 C ATOM 2025 O LYS A 131 4.104 4.820 9.466 1.00 0.00 O ATOM 2026 CB LYS A 131 7.099 6.546 8.772 1.00 0.00 C ATOM 2027 CG LYS A 131 8.148 7.187 9.663 1.00 0.00 C ATOM 2028 CD LYS A 131 7.530 8.200 10.612 1.00 0.00 C ATOM 2029 CE LYS A 131 7.104 9.463 9.880 1.00 0.00 C ATOM 2030 NZ LYS A 131 8.203 10.466 9.819 1.00 0.00 N ATOM 0 H LYS A 131 7.842 4.147 8.316 1.00 0.00 H new ATOM 0 HA LYS A 131 6.327 5.451 10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.558 6.278 7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.321 7.278 8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.660 6.415 10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.901 7.677 9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 131 6.666 7.756 11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.248 8.455 11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 131 6.789 9.208 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.241 9.900 10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.873 11.312 9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 8.487 10.729 10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 9.018 10.058 9.318 1.00 0.00 H new ATOM 2044 N ASN A 132 5.015 5.147 7.436 1.00 0.00 N ATOM 2045 CA ASN A 132 3.761 4.945 6.719 1.00 0.00 C ATOM 2046 C ASN A 132 3.985 4.983 5.210 1.00 0.00 C ATOM 2047 O ASN A 132 5.060 5.354 4.741 1.00 0.00 O ATOM 2048 CB ASN A 132 2.741 6.013 7.122 1.00 0.00 C ATOM 2049 CG ASN A 132 3.374 7.380 7.294 1.00 0.00 C ATOM 2050 OD1 ASN A 132 4.391 7.689 6.673 1.00 0.00 O ATOM 2051 ND2 ASN A 132 2.772 8.207 8.141 1.00 0.00 N ATOM 0 H ASN A 132 5.815 5.350 6.837 1.00 0.00 H new ATOM 0 HA ASN A 132 3.373 3.962 6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 132 1.960 6.070 6.364 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.260 5.718 8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.151 9.141 8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 132 1.931 7.908 8.634 1.00 0.00 H new ATOM 2058 N TYR A 133 2.961 4.597 4.457 1.00 0.00 N ATOM 2059 CA TYR A 133 3.046 4.585 3.001 1.00 0.00 C ATOM 2060 C TYR A 133 2.853 5.987 2.433 1.00 0.00 C ATOM 2061 O TYR A 133 1.739 6.384 2.092 1.00 0.00 O ATOM 2062 CB TYR A 133 1.997 3.637 2.416 1.00 0.00 C ATOM 2063 CG TYR A 133 2.461 2.200 2.330 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.412 1.812 1.395 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.947 1.231 3.183 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.838 0.500 1.311 1.00 0.00 C ATOM 2067 CE2 TYR A 133 2.368 -0.082 3.108 1.00 0.00 C ATOM 2068 CZ TYR A 133 3.314 -0.443 2.171 1.00 0.00 C ATOM 2069 OH TYR A 133 3.735 -1.751 2.092 1.00 0.00 O ATOM 0 H TYR A 133 2.063 4.289 4.830 1.00 0.00 H new ATOM 0 HA TYR A 133 4.040 4.233 2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.096 3.683 3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.723 3.982 1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 133 3.826 2.548 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.206 1.510 3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.577 0.215 0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.959 -0.822 3.779 1.00 0.00 H new ATOM 0 HH TYR A 133 3.269 -2.286 2.768 1.00 0.00 H new ATOM 2079 N ARG A 134 3.949 6.733 2.332 1.00 0.00 N ATOM 2080 CA ARG A 134 3.902 8.092 1.806 1.00 0.00 C ATOM 2081 C ARG A 134 3.687 8.082 0.295 1.00 0.00 C ATOM 2082 O ARG A 134 4.525 7.586 -0.458 1.00 0.00 O ATOM 2083 CB ARG A 134 5.195 8.837 2.143 1.00 0.00 C ATOM 2084 CG ARG A 134 5.098 10.342 1.951 1.00 0.00 C ATOM 2085 CD ARG A 134 6.474 10.989 1.925 1.00 0.00 C ATOM 2086 NE ARG A 134 6.919 11.384 3.258 1.00 0.00 N ATOM 2087 CZ ARG A 134 7.485 10.548 4.122 1.00 0.00 C ATOM 2088 NH1 ARG A 134 7.674 9.278 3.793 1.00 0.00 N ATOM 2089 NH2 ARG A 134 7.863 10.983 5.317 1.00 0.00 N ATOM 0 H ARG A 134 4.880 6.419 2.607 1.00 0.00 H new ATOM 0 HA ARG A 134 3.062 8.607 2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.466 8.628 3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 134 6.000 8.451 1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 134 4.575 10.558 1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 134 4.506 10.776 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 134 7.194 10.293 1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 134 6.450 11.865 1.277 1.00 0.00 H new ATOM 0 HE ARG A 134 6.788 12.355 3.542 1.00 0.00 H new ATOM 0 HH11 ARG A 134 7.385 8.941 2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 134 8.109 8.638 4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 134 7.719 11.960 5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 134 8.297 10.341 5.980 1.00 0.00 H new ATOM 2103 N ILE A 135 2.559 8.633 -0.140 1.00 0.00 N ATOM 2104 CA ILE A 135 2.234 8.688 -1.560 1.00 0.00 C ATOM 2105 C ILE A 135 2.437 10.093 -2.116 1.00 0.00 C ATOM 2106 O ILE A 135 1.608 10.979 -1.910 1.00 0.00 O ATOM 2107 CB ILE A 135 0.781 8.249 -1.823 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.577 6.798 -1.384 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.436 8.416 -3.295 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.868 6.352 -1.428 1.00 0.00 C ATOM 0 H ILE A 135 1.855 9.048 0.470 1.00 0.00 H new ATOM 0 HA ILE A 135 2.910 7.998 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 135 0.114 8.883 -1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.170 6.146 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.956 6.677 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.594 8.102 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.548 9.463 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.107 7.803 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -0.938 5.314 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.463 6.980 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.245 6.441 -2.447 1.00 0.00 H new ATOM 2122 N ILE A 136 3.545 10.289 -2.824 1.00 0.00 N ATOM 2123 CA ILE A 136 3.856 11.586 -3.413 1.00 0.00 C ATOM 2124 C ILE A 136 3.369 11.665 -4.855 1.00 0.00 C ATOM 2125 O ILE A 136 2.812 10.705 -5.387 1.00 0.00 O ATOM 2126 CB ILE A 136 5.369 11.872 -3.376 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.133 10.795 -4.148 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.859 11.949 -1.938 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.572 11.163 -4.435 1.00 0.00 C ATOM 0 H ILE A 136 4.242 9.566 -3.003 1.00 0.00 H new ATOM 0 HA ILE A 136 3.338 12.337 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 136 5.553 12.834 -3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.111 9.866 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.621 10.603 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.930 12.152 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.334 12.750 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.665 11.001 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.052 10.353 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.602 12.075 -5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.100 11.327 -3.496 1.00 0.00 H new ATOM 2141 N ARG A 137 3.585 12.815 -5.485 1.00 0.00 N ATOM 2142 CA ARG A 137 3.169 13.020 -6.867 1.00 0.00 C ATOM 2143 C ARG A 137 4.235 12.516 -7.836 1.00 0.00 C ATOM 2144 O ARG A 137 5.358 12.213 -7.435 1.00 0.00 O ATOM 2145 CB ARG A 137 2.892 14.502 -7.124 1.00 0.00 C ATOM 2146 CG ARG A 137 1.833 14.749 -8.186 1.00 0.00 C ATOM 2147 CD ARG A 137 1.100 16.059 -7.949 1.00 0.00 C ATOM 2148 NE ARG A 137 0.439 16.544 -9.158 1.00 0.00 N ATOM 2149 CZ ARG A 137 -0.096 17.755 -9.268 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -0.048 18.600 -8.247 1.00 0.00 N ATOM 2151 NH2 ARG A 137 -0.679 18.123 -10.401 1.00 0.00 N ATOM 0 H ARG A 137 4.046 13.619 -5.060 1.00 0.00 H new ATOM 0 HA ARG A 137 2.254 12.452 -7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.576 14.971 -6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 137 3.819 14.989 -7.427 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.301 14.766 -9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.118 13.926 -8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.359 15.922 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.806 16.811 -7.596 1.00 0.00 H new ATOM 0 HE ARG A 137 0.385 15.918 -9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 137 0.401 18.321 -7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -0.460 19.529 -8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -0.717 17.476 -11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -1.090 19.053 -10.485 1.00 0.00 H new ATOM 2165 N ALA A 138 3.873 12.428 -9.112 1.00 0.00 N ATOM 2166 CA ALA A 138 4.798 11.961 -10.137 1.00 0.00 C ATOM 2167 C ALA A 138 5.711 13.089 -10.607 1.00 0.00 C ATOM 2168 O ALA A 138 6.750 12.844 -11.218 1.00 0.00 O ATOM 2169 CB ALA A 138 4.030 11.377 -11.314 1.00 0.00 C ATOM 0 H ALA A 138 2.946 12.674 -9.460 1.00 0.00 H new ATOM 0 HA ALA A 138 5.422 11.181 -9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 138 4.733 11.032 -12.072 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.424 10.538 -10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.382 12.142 -11.741 1.00 0.00 H new ATOM 2175 N GLU A 139 5.315 14.325 -10.317 1.00 0.00 N ATOM 2176 CA GLU A 139 6.098 15.489 -10.712 1.00 0.00 C ATOM 2177 C GLU A 139 7.016 15.938 -9.578 1.00 0.00 C ATOM 2178 O GLU A 139 8.057 16.553 -9.812 1.00 0.00 O ATOM 2179 CB GLU A 139 5.174 16.639 -11.120 1.00 0.00 C ATOM 2180 CG GLU A 139 4.168 17.020 -10.048 1.00 0.00 C ATOM 2181 CD GLU A 139 3.476 18.338 -10.339 1.00 0.00 C ATOM 2182 OE1 GLU A 139 4.183 19.339 -10.579 1.00 0.00 O ATOM 2183 OE2 GLU A 139 2.228 18.367 -10.329 1.00 0.00 O ATOM 0 H GLU A 139 4.457 14.545 -9.810 1.00 0.00 H new ATOM 0 HA GLU A 139 6.714 15.207 -11.566 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.780 17.512 -11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.638 16.359 -12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.420 16.232 -9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 139 4.675 17.085 -9.086 1.00 0.00 H new