USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 758 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 58 SER OG : rot -69:sc= -1.18 USER MOD Set 1.2: A 67 HIS : no HD1:sc= -1.43 X(o=-2.6,f=-2.2) USER MOD Set 2.1: A 38 GLN : amide:sc= -0.835 X(o=-1.7,f=-1.4) USER MOD Set 2.2: A 42 MET CE :methyl -126:sc= -0.901 (180deg=-0.959) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00716 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -51:sc=0.000536 USER MOD Single : A 22 TYR OH : rot 33:sc= 0.098 USER MOD Single : A 23 MET CE :methyl 180:sc=-0.00676 (180deg=-0.00677) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0379 X(o=-0.038,f=-0.35) USER MOD Single : A 32 GLN : amide:sc= -0.0646 X(o=-0.065,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.726 K(o=-0.73,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.475 K(o=-0.48,f=-1) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 93:sc= 0.765 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 71 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.15) USER MOD Single : A 87 HIS : no HD1:sc= -9.39! C(o=-9.4!,f=-12!) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HE2:sc= -4.94! C(o=-4.9!,f=-2.2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -32:sc= 0.284 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0988 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.834 12.655 -4.194 1.00 0.00 N ATOM 106 CA ALA A 11 -4.656 11.239 -4.489 1.00 0.00 C ATOM 107 C ALA A 11 -5.201 10.892 -5.870 1.00 0.00 C ATOM 108 O ALA A 11 -6.413 10.869 -6.081 1.00 0.00 O ATOM 109 CB ALA A 11 -5.332 10.389 -3.424 1.00 0.00 C ATOM 0 HA ALA A 11 -3.587 11.025 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.191 9.334 -3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.892 10.608 -2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.398 10.616 -3.400 1.00 0.00 H new ATOM 115 N ARG A 12 -4.298 10.624 -6.808 1.00 0.00 N ATOM 116 CA ARG A 12 -4.689 10.281 -8.170 1.00 0.00 C ATOM 117 C ARG A 12 -3.903 9.074 -8.673 1.00 0.00 C ATOM 118 O ARG A 12 -2.938 9.217 -9.423 1.00 0.00 O ATOM 119 CB ARG A 12 -4.467 11.473 -9.102 1.00 0.00 C ATOM 120 CG ARG A 12 -5.641 12.436 -9.150 1.00 0.00 C ATOM 121 CD ARG A 12 -6.695 11.982 -10.147 1.00 0.00 C ATOM 122 NE ARG A 12 -7.763 12.966 -10.302 1.00 0.00 N ATOM 123 CZ ARG A 12 -8.594 12.992 -11.338 1.00 0.00 C ATOM 124 NH1 ARG A 12 -8.481 12.093 -12.306 1.00 0.00 N ATOM 125 NH2 ARG A 12 -9.541 13.919 -11.407 1.00 0.00 N ATOM 0 H ARG A 12 -3.290 10.638 -6.649 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.749 10.026 -8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.577 12.014 -8.780 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.269 11.104 -10.109 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.087 12.517 -8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.286 13.430 -9.422 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.225 11.802 -11.114 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.121 11.034 -9.818 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.877 13.672 -9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.754 11.379 -12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.121 12.116 -13.100 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.631 14.612 -10.664 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.179 13.938 -12.203 1.00 0.00 H new ATOM 139 N PHE A 13 -4.323 7.884 -8.255 1.00 0.00 N ATOM 140 CA PHE A 13 -3.658 6.652 -8.661 1.00 0.00 C ATOM 141 C PHE A 13 -4.630 5.477 -8.641 1.00 0.00 C ATOM 142 O PHE A 13 -5.594 5.468 -7.875 1.00 0.00 O ATOM 143 CB PHE A 13 -2.469 6.362 -7.743 1.00 0.00 C ATOM 144 CG PHE A 13 -2.871 5.959 -6.352 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.229 6.915 -5.416 1.00 0.00 C ATOM 146 CD2 PHE A 13 -2.891 4.624 -5.982 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.598 6.547 -4.136 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.260 4.250 -4.704 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.615 5.213 -3.780 1.00 0.00 C ATOM 0 H PHE A 13 -5.121 7.747 -7.635 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.296 6.783 -9.681 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.866 5.568 -8.183 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.838 7.249 -7.688 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.220 7.960 -5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.615 3.867 -6.701 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.873 7.302 -3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.271 3.206 -4.428 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.905 4.923 -2.781 1.00 0.00 H new ATOM 159 N ASP A 14 -4.370 4.487 -9.488 1.00 0.00 N ATOM 160 CA ASP A 14 -5.222 3.305 -9.568 1.00 0.00 C ATOM 161 C ASP A 14 -4.827 2.279 -8.510 1.00 0.00 C ATOM 162 O ASP A 14 -3.698 1.791 -8.495 1.00 0.00 O ATOM 163 CB ASP A 14 -5.134 2.680 -10.961 1.00 0.00 C ATOM 164 CG ASP A 14 -5.632 3.614 -12.047 1.00 0.00 C ATOM 165 OD1 ASP A 14 -4.825 4.425 -12.548 1.00 0.00 O ATOM 166 OD2 ASP A 14 -6.828 3.532 -12.396 1.00 0.00 O ATOM 0 H ASP A 14 -3.576 4.479 -10.129 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.250 3.615 -9.382 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.100 2.405 -11.168 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.718 1.760 -10.981 1.00 0.00 H new ATOM 171 N SER A 15 -5.766 1.957 -7.626 1.00 0.00 N ATOM 172 CA SER A 15 -5.516 0.993 -6.562 1.00 0.00 C ATOM 173 C SER A 15 -5.543 -0.433 -7.103 1.00 0.00 C ATOM 174 O SER A 15 -4.806 -1.301 -6.635 1.00 0.00 O ATOM 175 CB SER A 15 -6.554 1.148 -5.449 1.00 0.00 C ATOM 176 OG SER A 15 -7.869 1.165 -5.977 1.00 0.00 O ATOM 0 H SER A 15 -6.707 2.350 -7.626 1.00 0.00 H new ATOM 0 HA SER A 15 -4.525 1.190 -6.154 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.455 0.328 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.367 2.071 -4.899 1.00 0.00 H new ATOM 0 HG SER A 15 -8.514 1.263 -5.246 1.00 0.00 H new ATOM 182 N SER A 16 -6.398 -0.667 -8.093 1.00 0.00 N ATOM 183 CA SER A 16 -6.526 -1.988 -8.697 1.00 0.00 C ATOM 184 C SER A 16 -5.445 -2.211 -9.750 1.00 0.00 C ATOM 185 O SER A 16 -5.557 -3.101 -10.593 1.00 0.00 O ATOM 186 CB SER A 16 -7.910 -2.153 -9.328 1.00 0.00 C ATOM 187 OG SER A 16 -8.835 -2.686 -8.396 1.00 0.00 O ATOM 0 H SER A 16 -7.013 0.041 -8.494 1.00 0.00 H new ATOM 0 HA SER A 16 -6.402 -2.733 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.267 -1.188 -9.688 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.842 -2.811 -10.195 1.00 0.00 H new ATOM 0 HG SER A 16 -9.712 -2.780 -8.823 1.00 0.00 H new ATOM 193 N ASP A 17 -4.398 -1.395 -9.696 1.00 0.00 N ATOM 194 CA ASP A 17 -3.295 -1.502 -10.643 1.00 0.00 C ATOM 195 C ASP A 17 -1.985 -1.800 -9.921 1.00 0.00 C ATOM 196 O ASP A 17 -1.273 -0.887 -9.502 1.00 0.00 O ATOM 197 CB ASP A 17 -3.163 -0.211 -11.453 1.00 0.00 C ATOM 198 CG ASP A 17 -2.142 -0.328 -12.567 1.00 0.00 C ATOM 199 OD1 ASP A 17 -0.931 -0.374 -12.261 1.00 0.00 O ATOM 200 OD2 ASP A 17 -2.553 -0.374 -13.745 1.00 0.00 O ATOM 0 H ASP A 17 -4.290 -0.652 -9.006 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.511 -2.327 -11.322 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.132 0.048 -11.879 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.879 0.604 -10.788 1.00 0.00 H new ATOM 205 N ARG A 18 -1.673 -3.084 -9.778 1.00 0.00 N ATOM 206 CA ARG A 18 -0.450 -3.503 -9.104 1.00 0.00 C ATOM 207 C ARG A 18 0.780 -2.941 -9.810 1.00 0.00 C ATOM 208 O ARG A 18 1.777 -2.606 -9.171 1.00 0.00 O ATOM 209 CB ARG A 18 -0.368 -5.030 -9.051 1.00 0.00 C ATOM 210 CG ARG A 18 -1.018 -5.633 -7.817 1.00 0.00 C ATOM 211 CD ARG A 18 -1.577 -7.018 -8.102 1.00 0.00 C ATOM 212 NE ARG A 18 -2.937 -6.961 -8.633 1.00 0.00 N ATOM 213 CZ ARG A 18 -4.004 -6.682 -7.892 1.00 0.00 C ATOM 214 NH1 ARG A 18 -3.869 -6.436 -6.596 1.00 0.00 N ATOM 215 NH2 ARG A 18 -5.208 -6.649 -8.447 1.00 0.00 N ATOM 0 H ARG A 18 -2.250 -3.852 -10.120 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.474 -3.112 -8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.845 -5.442 -9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.679 -5.330 -9.083 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.286 -5.694 -7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.819 -4.980 -7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.931 -7.530 -8.815 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.570 -7.607 -7.185 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.075 -7.145 -9.627 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.944 -6.461 -6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.690 -6.222 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.316 -6.838 -9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.026 -6.435 -7.877 1.00 0.00 H new ATOM 229 N SER A 19 0.701 -2.841 -11.134 1.00 0.00 N ATOM 230 CA SER A 19 1.810 -2.323 -11.928 1.00 0.00 C ATOM 231 C SER A 19 1.970 -0.820 -11.722 1.00 0.00 C ATOM 232 O SER A 19 2.816 -0.184 -12.350 1.00 0.00 O ATOM 233 CB SER A 19 1.586 -2.625 -13.411 1.00 0.00 C ATOM 234 OG SER A 19 2.818 -2.701 -14.107 1.00 0.00 O ATOM 0 H SER A 19 -0.118 -3.111 -11.678 1.00 0.00 H new ATOM 0 HA SER A 19 2.724 -2.816 -11.597 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.046 -3.566 -13.516 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.962 -1.849 -13.853 1.00 0.00 H new ATOM 0 HG SER A 19 3.352 -1.902 -13.915 1.00 0.00 H new ATOM 240 N ALA A 20 1.152 -0.260 -10.837 1.00 0.00 N ATOM 241 CA ALA A 20 1.204 1.167 -10.546 1.00 0.00 C ATOM 242 C ALA A 20 1.688 1.420 -9.122 1.00 0.00 C ATOM 243 O ALA A 20 2.262 2.469 -8.828 1.00 0.00 O ATOM 244 CB ALA A 20 -0.163 1.800 -10.761 1.00 0.00 C ATOM 0 H ALA A 20 0.446 -0.773 -10.309 1.00 0.00 H new ATOM 0 HA ALA A 20 1.917 1.626 -11.231 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.109 2.866 -10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.470 1.659 -11.797 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.890 1.329 -10.100 1.00 0.00 H new ATOM 250 N TRP A 21 1.452 0.453 -8.242 1.00 0.00 N ATOM 251 CA TRP A 21 1.864 0.572 -6.848 1.00 0.00 C ATOM 252 C TRP A 21 2.642 -0.661 -6.403 1.00 0.00 C ATOM 253 O TRP A 21 3.647 -0.552 -5.700 1.00 0.00 O ATOM 254 CB TRP A 21 0.642 0.771 -5.950 1.00 0.00 C ATOM 255 CG TRP A 21 -0.476 -0.183 -6.248 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.530 0.028 -7.090 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.651 -1.495 -5.703 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.349 -1.075 -7.102 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.832 -2.023 -6.260 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.076 -2.276 -4.800 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.300 -3.295 -5.942 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.391 -3.538 -4.485 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.569 -4.038 -5.055 1.00 0.00 C ATOM 0 H TRP A 21 0.978 -0.421 -8.469 1.00 0.00 H new ATOM 0 HA TRP A 21 2.516 1.441 -6.760 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.942 0.654 -4.909 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.279 1.792 -6.064 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.695 0.929 -7.662 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.204 -1.172 -7.650 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.986 -1.900 -4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.208 -3.682 -6.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.162 -4.149 -3.787 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.907 -5.029 -4.789 1.00 0.00 H new ATOM 274 N TYR A 22 2.173 -1.832 -6.817 1.00 0.00 N ATOM 275 CA TYR A 22 2.825 -3.087 -6.459 1.00 0.00 C ATOM 276 C TYR A 22 4.209 -3.182 -7.094 1.00 0.00 C ATOM 277 O TYR A 22 4.341 -3.214 -8.317 1.00 0.00 O ATOM 278 CB TYR A 22 1.967 -4.275 -6.897 1.00 0.00 C ATOM 279 CG TYR A 22 2.359 -5.579 -6.241 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.586 -5.651 -4.872 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.502 -6.741 -6.990 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.945 -6.840 -4.269 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.860 -7.935 -6.395 1.00 0.00 C ATOM 284 CZ TYR A 22 3.080 -7.980 -5.034 1.00 0.00 C ATOM 285 OH TYR A 22 3.436 -9.167 -4.436 1.00 0.00 O ATOM 0 H TYR A 22 1.344 -1.939 -7.401 1.00 0.00 H new ATOM 0 HA TYR A 22 2.940 -3.111 -5.375 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.923 -4.062 -6.668 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.040 -4.386 -7.979 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.480 -4.761 -4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.330 -6.710 -8.056 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.119 -6.877 -3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.967 -8.829 -6.992 1.00 0.00 H new ATOM 0 HH TYR A 22 3.061 -9.203 -3.531 1.00 0.00 H new ATOM 295 N MET A 23 5.237 -3.227 -6.253 1.00 0.00 N ATOM 296 CA MET A 23 6.611 -3.321 -6.731 1.00 0.00 C ATOM 297 C MET A 23 7.087 -4.770 -6.738 1.00 0.00 C ATOM 298 O MET A 23 8.228 -5.058 -7.096 1.00 0.00 O ATOM 299 CB MET A 23 7.537 -2.472 -5.858 1.00 0.00 C ATOM 300 CG MET A 23 7.021 -1.063 -5.616 1.00 0.00 C ATOM 301 SD MET A 23 7.587 0.108 -6.865 1.00 0.00 S ATOM 302 CE MET A 23 6.154 1.173 -7.004 1.00 0.00 C ATOM 0 H MET A 23 5.144 -3.200 -5.238 1.00 0.00 H new ATOM 0 HA MET A 23 6.640 -2.943 -7.753 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.675 -2.970 -4.898 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.517 -2.415 -6.331 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.931 -1.077 -5.604 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.347 -0.725 -4.632 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.349 1.951 -7.742 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.292 0.584 -7.317 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.947 1.633 -6.038 1.00 0.00 H new ATOM 312 N GLY A 24 6.204 -5.680 -6.337 1.00 0.00 N ATOM 313 CA GLY A 24 6.553 -7.089 -6.304 1.00 0.00 C ATOM 314 C GLY A 24 8.033 -7.313 -6.066 1.00 0.00 C ATOM 315 O GLY A 24 8.495 -7.398 -4.928 1.00 0.00 O ATOM 0 H GLY A 24 5.254 -5.467 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.983 -7.583 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.265 -7.554 -7.247 1.00 0.00 H new ATOM 319 N PRO A 25 8.803 -7.416 -7.159 1.00 0.00 N ATOM 320 CA PRO A 25 10.251 -7.636 -7.090 1.00 0.00 C ATOM 321 C PRO A 25 10.997 -6.416 -6.559 1.00 0.00 C ATOM 322 O PRO A 25 11.587 -5.654 -7.325 1.00 0.00 O ATOM 323 CB PRO A 25 10.639 -7.908 -8.545 1.00 0.00 C ATOM 324 CG PRO A 25 9.588 -7.227 -9.351 1.00 0.00 C ATOM 325 CD PRO A 25 8.321 -7.326 -8.548 1.00 0.00 C ATOM 0 HA PRO A 25 10.508 -8.446 -6.408 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.629 -7.513 -8.771 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.667 -8.977 -8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.852 -6.186 -9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.472 -7.705 -10.324 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.682 -6.455 -8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.735 -8.202 -8.828 1.00 0.00 H new ATOM 333 N VAL A 26 10.968 -6.238 -5.242 1.00 0.00 N ATOM 334 CA VAL A 26 11.644 -5.111 -4.608 1.00 0.00 C ATOM 335 C VAL A 26 11.988 -5.423 -3.156 1.00 0.00 C ATOM 336 O VAL A 26 11.168 -5.965 -2.415 1.00 0.00 O ATOM 337 CB VAL A 26 10.778 -3.838 -4.657 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.315 -2.790 -3.694 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.716 -3.290 -6.074 1.00 0.00 C ATOM 0 H VAL A 26 10.484 -6.859 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 26 12.564 -4.938 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 26 9.765 -4.096 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.691 -1.898 -3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.302 -3.188 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.338 -2.533 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.100 -2.391 -6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.722 -3.046 -6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.281 -4.039 -6.735 1.00 0.00 H new ATOM 349 N SER A 27 13.207 -5.077 -2.756 1.00 0.00 N ATOM 350 CA SER A 27 13.663 -5.323 -1.392 1.00 0.00 C ATOM 351 C SER A 27 13.653 -4.035 -0.575 1.00 0.00 C ATOM 352 O SER A 27 13.629 -2.936 -1.130 1.00 0.00 O ATOM 353 CB SER A 27 15.070 -5.924 -1.403 1.00 0.00 C ATOM 354 OG SER A 27 15.028 -7.317 -1.658 1.00 0.00 O ATOM 0 H SER A 27 13.897 -4.626 -3.356 1.00 0.00 H new ATOM 0 HA SER A 27 12.977 -6.032 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.674 -5.430 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.554 -5.741 -0.444 1.00 0.00 H new ATOM 0 HG SER A 27 15.940 -7.677 -1.662 1.00 0.00 H new ATOM 360 N ARG A 28 13.672 -4.179 0.746 1.00 0.00 N ATOM 361 CA ARG A 28 13.664 -3.028 1.640 1.00 0.00 C ATOM 362 C ARG A 28 14.720 -2.008 1.223 1.00 0.00 C ATOM 363 O ARG A 28 14.416 -0.833 1.021 1.00 0.00 O ATOM 364 CB ARG A 28 13.911 -3.474 3.082 1.00 0.00 C ATOM 365 CG ARG A 28 13.465 -2.456 4.119 1.00 0.00 C ATOM 366 CD ARG A 28 13.887 -2.868 5.521 1.00 0.00 C ATOM 367 NE ARG A 28 13.228 -2.066 6.549 1.00 0.00 N ATOM 368 CZ ARG A 28 11.926 -2.127 6.806 1.00 0.00 C ATOM 369 NH1 ARG A 28 11.148 -2.949 6.115 1.00 0.00 N ATOM 370 NH2 ARG A 28 11.401 -1.366 7.757 1.00 0.00 N ATOM 0 H ARG A 28 13.693 -5.082 1.221 1.00 0.00 H new ATOM 0 HA ARG A 28 12.683 -2.556 1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.386 -4.413 3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.974 -3.673 3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.892 -1.482 3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.381 -2.347 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.651 -3.921 5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.968 -2.766 5.619 1.00 0.00 H new ATOM 0 HE ARG A 28 13.799 -1.424 7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.549 -3.537 5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.149 -2.994 6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.997 -0.734 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.401 -1.413 7.954 1.00 0.00 H new ATOM 384 N GLN A 29 15.961 -2.468 1.098 1.00 0.00 N ATOM 385 CA GLN A 29 17.062 -1.595 0.706 1.00 0.00 C ATOM 386 C GLN A 29 16.654 -0.689 -0.451 1.00 0.00 C ATOM 387 O GLN A 29 16.948 0.506 -0.449 1.00 0.00 O ATOM 388 CB GLN A 29 18.284 -2.426 0.312 1.00 0.00 C ATOM 389 CG GLN A 29 18.685 -3.453 1.359 1.00 0.00 C ATOM 390 CD GLN A 29 20.173 -3.743 1.352 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.996 -2.827 1.325 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.527 -5.023 1.377 1.00 0.00 N ATOM 0 H GLN A 29 16.229 -3.438 1.262 1.00 0.00 H new ATOM 0 HA GLN A 29 17.317 -0.969 1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.077 -2.939 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 29 19.125 -1.757 0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.393 -3.093 2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.137 -4.379 1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.812 -5.750 1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.514 -5.279 1.374 1.00 0.00 H new ATOM 401 N GLU A 30 15.975 -1.266 -1.437 1.00 0.00 N ATOM 402 CA GLU A 30 15.528 -0.510 -2.601 1.00 0.00 C ATOM 403 C GLU A 30 14.334 0.373 -2.250 1.00 0.00 C ATOM 404 O GLU A 30 14.434 1.600 -2.251 1.00 0.00 O ATOM 405 CB GLU A 30 15.156 -1.459 -3.742 1.00 0.00 C ATOM 406 CG GLU A 30 14.937 -0.757 -5.071 1.00 0.00 C ATOM 407 CD GLU A 30 15.205 -1.660 -6.259 1.00 0.00 C ATOM 408 OE1 GLU A 30 14.895 -2.866 -6.171 1.00 0.00 O ATOM 409 OE2 GLU A 30 15.726 -1.159 -7.278 1.00 0.00 O ATOM 0 H GLU A 30 15.722 -2.254 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 30 16.349 0.130 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.946 -2.201 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.249 -2.000 -3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.911 -0.393 -5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.588 0.115 -5.128 1.00 0.00 H new ATOM 416 N ALA A 31 13.205 -0.260 -1.950 1.00 0.00 N ATOM 417 CA ALA A 31 11.992 0.466 -1.596 1.00 0.00 C ATOM 418 C ALA A 31 12.319 1.727 -0.803 1.00 0.00 C ATOM 419 O ALA A 31 11.707 2.775 -1.006 1.00 0.00 O ATOM 420 CB ALA A 31 11.052 -0.430 -0.803 1.00 0.00 C ATOM 0 H ALA A 31 13.105 -1.275 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 31 11.496 0.767 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.150 0.126 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.784 -1.299 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.548 -0.760 0.110 1.00 0.00 H new ATOM 426 N GLN A 32 13.287 1.617 0.102 1.00 0.00 N ATOM 427 CA GLN A 32 13.693 2.748 0.926 1.00 0.00 C ATOM 428 C GLN A 32 14.233 3.884 0.064 1.00 0.00 C ATOM 429 O GLN A 32 13.775 5.024 0.161 1.00 0.00 O ATOM 430 CB GLN A 32 14.754 2.313 1.939 1.00 0.00 C ATOM 431 CG GLN A 32 14.173 1.811 3.251 1.00 0.00 C ATOM 432 CD GLN A 32 15.114 2.015 4.422 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.571 1.054 5.041 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.408 3.272 4.733 1.00 0.00 N ATOM 0 H GLN A 32 13.804 0.756 0.282 1.00 0.00 H new ATOM 0 HA GLN A 32 12.815 3.108 1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.365 1.526 1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.416 3.154 2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.234 2.328 3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.939 0.750 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.006 4.038 4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.035 3.471 5.512 1.00 0.00 H new ATOM 443 N THR A 33 15.209 3.568 -0.781 1.00 0.00 N ATOM 444 CA THR A 33 15.813 4.562 -1.659 1.00 0.00 C ATOM 445 C THR A 33 14.769 5.190 -2.576 1.00 0.00 C ATOM 446 O THR A 33 14.957 6.300 -3.076 1.00 0.00 O ATOM 447 CB THR A 33 16.932 3.946 -2.520 1.00 0.00 C ATOM 448 OG1 THR A 33 17.872 4.957 -2.899 1.00 0.00 O ATOM 449 CG2 THR A 33 16.357 3.288 -3.766 1.00 0.00 C ATOM 0 H THR A 33 15.598 2.630 -0.876 1.00 0.00 H new ATOM 0 HA THR A 33 16.241 5.332 -1.018 1.00 0.00 H new ATOM 0 HB THR A 33 17.438 3.184 -1.927 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.581 4.557 -3.445 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.166 2.860 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.665 2.499 -3.474 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.828 4.033 -4.360 1.00 0.00 H new ATOM 457 N ARG A 34 13.671 4.475 -2.793 1.00 0.00 N ATOM 458 CA ARG A 34 12.598 4.963 -3.650 1.00 0.00 C ATOM 459 C ARG A 34 11.693 5.930 -2.892 1.00 0.00 C ATOM 460 O ARG A 34 11.120 6.850 -3.478 1.00 0.00 O ATOM 461 CB ARG A 34 11.773 3.792 -4.189 1.00 0.00 C ATOM 462 CG ARG A 34 12.606 2.569 -4.535 1.00 0.00 C ATOM 463 CD ARG A 34 11.928 1.714 -5.593 1.00 0.00 C ATOM 464 NE ARG A 34 12.300 2.120 -6.946 1.00 0.00 N ATOM 465 CZ ARG A 34 11.990 1.423 -8.034 1.00 0.00 C ATOM 466 NH1 ARG A 34 11.307 0.292 -7.928 1.00 0.00 N ATOM 467 NH2 ARG A 34 12.364 1.858 -9.230 1.00 0.00 N ATOM 0 H ARG A 34 13.501 3.555 -2.387 1.00 0.00 H new ATOM 0 HA ARG A 34 13.050 5.496 -4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.025 3.514 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.234 4.117 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.586 2.884 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.772 1.974 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.197 0.669 -5.441 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.846 1.785 -5.478 1.00 0.00 H new ATOM 0 HE ARG A 34 12.827 2.986 -7.062 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.018 -0.045 -7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.070 -0.241 -8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.890 2.728 -9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.126 1.323 -10.065 1.00 0.00 H new ATOM 481 N LEU A 35 11.568 5.715 -1.587 1.00 0.00 N ATOM 482 CA LEU A 35 10.732 6.567 -0.748 1.00 0.00 C ATOM 483 C LEU A 35 11.584 7.380 0.222 1.00 0.00 C ATOM 484 O LEU A 35 11.060 8.052 1.109 1.00 0.00 O ATOM 485 CB LEU A 35 9.723 5.719 0.028 1.00 0.00 C ATOM 486 CG LEU A 35 8.832 4.802 -0.809 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.264 3.681 0.048 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.711 5.597 -1.462 1.00 0.00 C ATOM 0 H LEU A 35 12.035 4.958 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 35 10.194 7.258 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.269 5.106 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.083 6.388 0.603 1.00 0.00 H new ATOM 0 HG LEU A 35 9.440 4.357 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.632 3.039 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.081 3.093 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.671 4.107 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.087 4.927 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.104 6.071 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.138 6.363 -2.110 1.00 0.00 H new ATOM 500 N GLN A 36 12.900 7.313 0.044 1.00 0.00 N ATOM 501 CA GLN A 36 13.824 8.044 0.903 1.00 0.00 C ATOM 502 C GLN A 36 14.002 9.478 0.415 1.00 0.00 C ATOM 503 O GLN A 36 14.649 9.723 -0.602 1.00 0.00 O ATOM 504 CB GLN A 36 15.179 7.337 0.949 1.00 0.00 C ATOM 505 CG GLN A 36 16.287 8.183 1.556 1.00 0.00 C ATOM 506 CD GLN A 36 16.224 8.228 3.070 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.085 7.676 3.755 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.201 8.888 3.601 1.00 0.00 N ATOM 0 H GLN A 36 13.349 6.761 -0.686 1.00 0.00 H new ATOM 0 HA GLN A 36 13.402 8.071 1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.080 6.416 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.465 7.051 -0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.254 7.784 1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.221 9.198 1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.510 9.331 2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.106 8.952 4.615 1.00 0.00 H new ATOM 517 N GLY A 37 13.422 10.424 1.148 1.00 0.00 N ATOM 518 CA GLY A 37 13.527 11.822 0.774 1.00 0.00 C ATOM 519 C GLY A 37 12.447 12.245 -0.202 1.00 0.00 C ATOM 520 O GLY A 37 12.216 13.437 -0.403 1.00 0.00 O ATOM 0 H GLY A 37 12.881 10.247 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.465 12.440 1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.505 12.003 0.329 1.00 0.00 H new ATOM 524 N GLN A 38 11.784 11.266 -0.809 1.00 0.00 N ATOM 525 CA GLN A 38 10.723 11.543 -1.770 1.00 0.00 C ATOM 526 C GLN A 38 9.603 12.353 -1.126 1.00 0.00 C ATOM 527 O GLN A 38 9.483 12.401 0.099 1.00 0.00 O ATOM 528 CB GLN A 38 10.164 10.237 -2.336 1.00 0.00 C ATOM 529 CG GLN A 38 11.018 9.637 -3.441 1.00 0.00 C ATOM 530 CD GLN A 38 11.490 10.674 -4.441 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.573 11.242 -4.300 1.00 0.00 O ATOM 532 NE2 GLN A 38 10.677 10.926 -5.461 1.00 0.00 N ATOM 0 H GLN A 38 11.963 10.274 -0.652 1.00 0.00 H new ATOM 0 HA GLN A 38 11.149 12.130 -2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.069 9.512 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.161 10.418 -2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.884 9.144 -2.999 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.445 8.870 -3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.788 10.432 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.942 11.614 -6.166 1.00 0.00 H new ATOM 541 N ARG A 39 8.785 12.989 -1.958 1.00 0.00 N ATOM 542 CA ARG A 39 7.676 13.799 -1.469 1.00 0.00 C ATOM 543 C ARG A 39 6.824 13.012 -0.478 1.00 0.00 C ATOM 544 O ARG A 39 6.590 11.816 -0.657 1.00 0.00 O ATOM 545 CB ARG A 39 6.810 14.274 -2.638 1.00 0.00 C ATOM 546 CG ARG A 39 5.925 13.186 -3.222 1.00 0.00 C ATOM 547 CD ARG A 39 5.187 13.673 -4.459 1.00 0.00 C ATOM 548 NE ARG A 39 6.105 14.104 -5.510 1.00 0.00 N ATOM 549 CZ ARG A 39 6.629 15.323 -5.572 1.00 0.00 C ATOM 550 NH1 ARG A 39 6.327 16.226 -4.650 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.457 15.641 -6.559 1.00 0.00 N ATOM 0 H ARG A 39 8.869 12.959 -2.974 1.00 0.00 H new ATOM 0 HA ARG A 39 8.091 14.667 -0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.183 15.100 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.457 14.665 -3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.534 12.319 -3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.205 12.860 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.550 12.874 -4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.532 14.501 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 39 6.357 13.433 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.691 15.986 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.731 17.161 -4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.692 14.949 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.859 16.577 -6.606 1.00 0.00 H new ATOM 565 N HIS A 40 6.362 13.690 0.567 1.00 0.00 N ATOM 566 CA HIS A 40 5.536 13.054 1.587 1.00 0.00 C ATOM 567 C HIS A 40 4.234 12.534 0.985 1.00 0.00 C ATOM 568 O HIS A 40 3.484 13.284 0.362 1.00 0.00 O ATOM 569 CB HIS A 40 5.231 14.041 2.715 1.00 0.00 C ATOM 570 CG HIS A 40 6.399 14.300 3.616 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.529 15.448 4.369 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.494 13.551 3.884 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.654 15.394 5.059 1.00 0.00 C ATOM 574 NE2 HIS A 40 8.258 14.253 4.783 1.00 0.00 N ATOM 0 H HIS A 40 6.545 14.680 0.730 1.00 0.00 H new ATOM 0 HA HIS A 40 6.091 12.209 1.994 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.901 14.985 2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.402 13.656 3.309 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.861 16.218 4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.724 12.581 3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.018 16.154 5.734 1.00 0.00 H new ATOM 583 N GLY A 41 3.973 11.244 1.176 1.00 0.00 N ATOM 584 CA GLY A 41 2.762 10.646 0.645 1.00 0.00 C ATOM 585 C GLY A 41 3.045 9.421 -0.203 1.00 0.00 C ATOM 586 O GLY A 41 2.229 8.502 -0.267 1.00 0.00 O ATOM 0 H GLY A 41 4.578 10.603 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.105 10.370 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.228 11.384 0.046 1.00 0.00 H new ATOM 590 N MET A 42 4.202 9.410 -0.857 1.00 0.00 N ATOM 591 CA MET A 42 4.588 8.289 -1.705 1.00 0.00 C ATOM 592 C MET A 42 4.450 6.967 -0.956 1.00 0.00 C ATOM 593 O MET A 42 4.703 6.894 0.246 1.00 0.00 O ATOM 594 CB MET A 42 6.028 8.463 -2.193 1.00 0.00 C ATOM 595 CG MET A 42 6.341 7.678 -3.456 1.00 0.00 C ATOM 596 SD MET A 42 7.890 8.187 -4.225 1.00 0.00 S ATOM 597 CE MET A 42 7.423 9.777 -4.906 1.00 0.00 C ATOM 0 H MET A 42 4.888 10.164 -0.816 1.00 0.00 H new ATOM 0 HA MET A 42 3.919 8.270 -2.566 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.215 9.521 -2.377 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.711 8.151 -1.403 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.391 6.616 -3.216 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.527 7.805 -4.169 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.657 9.800 -5.970 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.353 9.933 -4.766 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.974 10.567 -4.396 1.00 0.00 H new ATOM 607 N PHE A 43 4.046 5.924 -1.674 1.00 0.00 N ATOM 608 CA PHE A 43 3.873 4.606 -1.077 1.00 0.00 C ATOM 609 C PHE A 43 4.111 3.506 -2.108 1.00 0.00 C ATOM 610 O PHE A 43 4.224 3.775 -3.305 1.00 0.00 O ATOM 611 CB PHE A 43 2.468 4.470 -0.486 1.00 0.00 C ATOM 612 CG PHE A 43 1.440 4.015 -1.482 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.323 2.675 -1.813 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.590 4.927 -2.086 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.379 2.254 -2.730 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.357 4.512 -3.003 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.463 3.173 -3.325 1.00 0.00 C ATOM 0 H PHE A 43 3.832 5.967 -2.670 1.00 0.00 H new ATOM 0 HA PHE A 43 4.608 4.498 -0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.498 3.762 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.162 5.431 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.977 1.951 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.668 5.975 -1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.300 1.207 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.013 5.233 -3.467 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.203 2.845 -4.040 1.00 0.00 H new ATOM 627 N LEU A 44 4.187 2.267 -1.635 1.00 0.00 N ATOM 628 CA LEU A 44 4.412 1.125 -2.515 1.00 0.00 C ATOM 629 C LEU A 44 4.240 -0.188 -1.757 1.00 0.00 C ATOM 630 O LEU A 44 4.458 -0.252 -0.547 1.00 0.00 O ATOM 631 CB LEU A 44 5.812 1.195 -3.126 1.00 0.00 C ATOM 632 CG LEU A 44 6.979 1.029 -2.151 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.265 -0.445 -1.908 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.219 1.735 -2.679 1.00 0.00 C ATOM 0 H LEU A 44 4.096 2.027 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 44 3.672 1.162 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.892 0.423 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.919 2.156 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 44 6.702 1.486 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.098 -0.544 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.381 -0.922 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.521 -0.926 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.039 1.607 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.499 1.308 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.008 2.797 -2.801 1.00 0.00 H new ATOM 646 N VAL A 45 3.851 -1.235 -2.478 1.00 0.00 N ATOM 647 CA VAL A 45 3.654 -2.548 -1.875 1.00 0.00 C ATOM 648 C VAL A 45 4.527 -3.599 -2.551 1.00 0.00 C ATOM 649 O VAL A 45 4.408 -3.842 -3.752 1.00 0.00 O ATOM 650 CB VAL A 45 2.181 -2.988 -1.959 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.989 -4.341 -1.290 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.275 -1.940 -1.331 1.00 0.00 C ATOM 0 H VAL A 45 3.666 -1.199 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 45 3.940 -2.462 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 45 1.909 -3.087 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.942 -4.636 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.609 -5.085 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.278 -4.273 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.238 -2.268 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.545 -1.806 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.392 -0.994 -1.860 1.00 0.00 H new ATOM 662 N ARG A 46 5.405 -4.222 -1.771 1.00 0.00 N ATOM 663 CA ARG A 46 6.299 -5.248 -2.294 1.00 0.00 C ATOM 664 C ARG A 46 6.139 -6.554 -1.520 1.00 0.00 C ATOM 665 O ARG A 46 5.471 -6.597 -0.487 1.00 0.00 O ATOM 666 CB ARG A 46 7.751 -4.774 -2.221 1.00 0.00 C ATOM 667 CG ARG A 46 8.230 -4.493 -0.806 1.00 0.00 C ATOM 668 CD ARG A 46 9.608 -3.849 -0.801 1.00 0.00 C ATOM 669 NE ARG A 46 10.377 -4.211 0.386 1.00 0.00 N ATOM 670 CZ ARG A 46 10.257 -3.594 1.556 1.00 0.00 C ATOM 671 NH1 ARG A 46 9.402 -2.590 1.695 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.992 -3.982 2.591 1.00 0.00 N ATOM 0 H ARG A 46 5.516 -4.034 -0.775 1.00 0.00 H new ATOM 0 HA ARG A 46 6.035 -5.428 -3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.394 -5.531 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.859 -3.869 -2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.519 -3.837 -0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.260 -5.424 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.154 -4.154 -1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.502 -2.765 -0.847 1.00 0.00 H new ATOM 0 HE ARG A 46 11.043 -4.980 0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.835 -2.290 0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.312 -2.118 2.595 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.650 -4.755 2.488 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.899 -3.507 3.489 1.00 0.00 H new ATOM 686 N ASP A 47 6.756 -7.615 -2.028 1.00 0.00 N ATOM 687 CA ASP A 47 6.683 -8.922 -1.385 1.00 0.00 C ATOM 688 C ASP A 47 7.521 -8.948 -0.111 1.00 0.00 C ATOM 689 O ASP A 47 8.739 -8.777 -0.154 1.00 0.00 O ATOM 690 CB ASP A 47 7.158 -10.013 -2.346 1.00 0.00 C ATOM 691 CG ASP A 47 7.386 -11.340 -1.647 1.00 0.00 C ATOM 692 OD1 ASP A 47 6.709 -11.598 -0.631 1.00 0.00 O ATOM 693 OD2 ASP A 47 8.242 -12.119 -2.117 1.00 0.00 O ATOM 0 H ASP A 47 7.312 -7.596 -2.883 1.00 0.00 H new ATOM 0 HA ASP A 47 5.643 -9.111 -1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.419 -10.144 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.084 -9.694 -2.825 1.00 0.00 H new ATOM 698 N SER A 48 6.860 -9.162 1.022 1.00 0.00 N ATOM 699 CA SER A 48 7.543 -9.206 2.309 1.00 0.00 C ATOM 700 C SER A 48 8.617 -10.289 2.318 1.00 0.00 C ATOM 701 O SER A 48 8.518 -11.283 1.599 1.00 0.00 O ATOM 702 CB SER A 48 6.539 -9.459 3.435 1.00 0.00 C ATOM 703 OG SER A 48 7.149 -9.313 4.706 1.00 0.00 O ATOM 0 H SER A 48 5.852 -9.308 1.075 1.00 0.00 H new ATOM 0 HA SER A 48 8.023 -8.241 2.470 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.705 -8.762 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.127 -10.463 3.340 1.00 0.00 H new ATOM 0 HG SER A 48 6.486 -9.478 5.408 1.00 0.00 H new ATOM 766 N ASP A 54 3.212 -12.517 3.410 1.00 0.00 N ATOM 767 CA ASP A 54 2.924 -11.176 3.904 1.00 0.00 C ATOM 768 C ASP A 54 3.492 -10.117 2.964 1.00 0.00 C ATOM 769 O ASP A 54 4.331 -10.413 2.113 1.00 0.00 O ATOM 770 CB ASP A 54 3.502 -10.992 5.308 1.00 0.00 C ATOM 771 CG ASP A 54 2.743 -11.784 6.355 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.509 -11.922 6.216 1.00 0.00 O ATOM 773 OD2 ASP A 54 3.383 -12.267 7.312 1.00 0.00 O ATOM 0 HA ASP A 54 1.841 -11.056 3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.547 -11.300 5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.481 -9.934 5.571 1.00 0.00 H new ATOM 778 N TYR A 55 3.029 -8.882 3.124 1.00 0.00 N ATOM 779 CA TYR A 55 3.488 -7.779 2.288 1.00 0.00 C ATOM 780 C TYR A 55 3.961 -6.608 3.142 1.00 0.00 C ATOM 781 O TYR A 55 3.766 -6.592 4.358 1.00 0.00 O ATOM 782 CB TYR A 55 2.368 -7.322 1.351 1.00 0.00 C ATOM 783 CG TYR A 55 1.930 -8.384 0.367 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.863 -9.173 -0.294 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.584 -8.596 0.098 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.468 -10.144 -1.194 1.00 0.00 C ATOM 787 CE2 TYR A 55 0.180 -9.566 -0.800 1.00 0.00 C ATOM 788 CZ TYR A 55 1.125 -10.337 -1.443 1.00 0.00 C ATOM 789 OH TYR A 55 0.727 -11.302 -2.339 1.00 0.00 O ATOM 0 H TYR A 55 2.336 -8.620 3.825 1.00 0.00 H new ATOM 0 HA TYR A 55 4.329 -8.134 1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.509 -7.015 1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.703 -6.444 0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.915 -9.025 -0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.159 -7.993 0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.206 -10.748 -1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.871 -9.719 -0.997 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.251 -11.310 -2.399 1.00 0.00 H new ATOM 799 N VAL A 56 4.585 -5.627 2.497 1.00 0.00 N ATOM 800 CA VAL A 56 5.085 -4.450 3.196 1.00 0.00 C ATOM 801 C VAL A 56 4.787 -3.177 2.412 1.00 0.00 C ATOM 802 O VAL A 56 5.330 -2.961 1.327 1.00 0.00 O ATOM 803 CB VAL A 56 6.603 -4.545 3.441 1.00 0.00 C ATOM 804 CG1 VAL A 56 7.075 -3.398 4.322 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.959 -5.887 4.062 1.00 0.00 C ATOM 0 H VAL A 56 4.756 -5.625 1.491 1.00 0.00 H new ATOM 0 HA VAL A 56 4.571 -4.411 4.156 1.00 0.00 H new ATOM 0 HB VAL A 56 7.114 -4.468 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.150 -3.482 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.855 -2.449 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.559 -3.440 5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.035 -5.937 4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.439 -5.997 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.658 -6.690 3.390 1.00 0.00 H new ATOM 815 N LEU A 57 3.922 -2.335 2.967 1.00 0.00 N ATOM 816 CA LEU A 57 3.551 -1.082 2.319 1.00 0.00 C ATOM 817 C LEU A 57 4.481 0.049 2.749 1.00 0.00 C ATOM 818 O LEU A 57 4.222 0.736 3.738 1.00 0.00 O ATOM 819 CB LEU A 57 2.103 -0.721 2.654 1.00 0.00 C ATOM 820 CG LEU A 57 1.673 0.708 2.322 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.702 0.939 0.819 1.00 0.00 C ATOM 822 CD2 LEU A 57 0.286 0.991 2.880 1.00 0.00 C ATOM 0 H LEU A 57 3.465 -2.497 3.864 1.00 0.00 H new ATOM 0 HA LEU A 57 3.646 -1.217 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.446 -1.409 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.945 -0.888 3.719 1.00 0.00 H new ATOM 0 HG LEU A 57 2.378 1.396 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.393 1.961 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.713 0.779 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.020 0.243 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.004 2.013 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.431 0.296 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.297 0.868 3.963 1.00 0.00 H new ATOM 834 N SER A 58 5.562 0.237 1.999 1.00 0.00 N ATOM 835 CA SER A 58 6.530 1.284 2.304 1.00 0.00 C ATOM 836 C SER A 58 5.984 2.657 1.924 1.00 0.00 C ATOM 837 O SER A 58 5.684 2.918 0.759 1.00 0.00 O ATOM 838 CB SER A 58 7.844 1.022 1.564 1.00 0.00 C ATOM 839 OG SER A 58 8.323 -0.286 1.822 1.00 0.00 O ATOM 0 H SER A 58 5.789 -0.322 1.176 1.00 0.00 H new ATOM 0 HA SER A 58 6.716 1.272 3.378 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.694 1.153 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.591 1.754 1.873 1.00 0.00 H new ATOM 0 HG SER A 58 8.621 -0.348 2.754 1.00 0.00 H new ATOM 845 N VAL A 59 5.858 3.532 2.917 1.00 0.00 N ATOM 846 CA VAL A 59 5.349 4.879 2.689 1.00 0.00 C ATOM 847 C VAL A 59 6.389 5.929 3.063 1.00 0.00 C ATOM 848 O VAL A 59 7.265 5.683 3.892 1.00 0.00 O ATOM 849 CB VAL A 59 4.062 5.136 3.494 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.946 6.608 3.859 1.00 0.00 C ATOM 851 CG2 VAL A 59 2.842 4.675 2.711 1.00 0.00 C ATOM 0 H VAL A 59 6.102 3.332 3.887 1.00 0.00 H new ATOM 0 HA VAL A 59 5.124 4.958 1.625 1.00 0.00 H new ATOM 0 HB VAL A 59 4.111 4.559 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.030 6.771 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.805 6.902 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.919 7.207 2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.942 4.864 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.786 5.222 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.923 3.608 2.506 1.00 0.00 H new ATOM 861 N SER A 60 6.285 7.102 2.447 1.00 0.00 N ATOM 862 CA SER A 60 7.218 8.191 2.712 1.00 0.00 C ATOM 863 C SER A 60 6.585 9.239 3.623 1.00 0.00 C ATOM 864 O SER A 60 5.567 9.840 3.282 1.00 0.00 O ATOM 865 CB SER A 60 7.663 8.841 1.401 1.00 0.00 C ATOM 866 OG SER A 60 8.753 9.722 1.612 1.00 0.00 O ATOM 0 H SER A 60 5.564 7.323 1.761 1.00 0.00 H new ATOM 0 HA SER A 60 8.090 7.774 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.949 8.068 0.687 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.829 9.388 0.961 1.00 0.00 H new ATOM 0 HG SER A 60 9.595 9.242 1.465 1.00 0.00 H new ATOM 872 N GLU A 61 7.197 9.451 4.784 1.00 0.00 N ATOM 873 CA GLU A 61 6.693 10.425 5.745 1.00 0.00 C ATOM 874 C GLU A 61 7.679 10.615 6.895 1.00 0.00 C ATOM 875 O GLU A 61 8.410 9.695 7.258 1.00 0.00 O ATOM 876 CB GLU A 61 5.335 9.981 6.292 1.00 0.00 C ATOM 877 CG GLU A 61 4.602 11.068 7.060 1.00 0.00 C ATOM 878 CD GLU A 61 4.824 12.448 6.472 1.00 0.00 C ATOM 879 OE1 GLU A 61 4.582 12.621 5.259 1.00 0.00 O ATOM 880 OE2 GLU A 61 5.240 13.354 7.224 1.00 0.00 O ATOM 0 H GLU A 61 8.041 8.962 5.081 1.00 0.00 H new ATOM 0 HA GLU A 61 6.574 11.378 5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.710 9.649 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.480 9.121 6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.535 10.847 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.934 11.062 8.098 1.00 0.00 H new ATOM 887 N ASN A 62 7.692 11.817 7.462 1.00 0.00 N ATOM 888 CA ASN A 62 8.588 12.129 8.570 1.00 0.00 C ATOM 889 C ASN A 62 10.047 11.958 8.155 1.00 0.00 C ATOM 890 O ASN A 62 10.870 11.470 8.928 1.00 0.00 O ATOM 891 CB ASN A 62 8.280 11.233 9.771 1.00 0.00 C ATOM 892 CG ASN A 62 7.214 11.823 10.674 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.372 12.925 11.201 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.122 11.091 10.858 1.00 0.00 N ATOM 0 H ASN A 62 7.093 12.590 7.173 1.00 0.00 H new ATOM 0 HA ASN A 62 8.428 13.170 8.851 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.952 10.256 9.417 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.192 11.074 10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.371 11.436 11.456 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.034 10.183 10.401 1.00 0.00 H new ATOM 901 N SER A 63 10.359 12.364 6.928 1.00 0.00 N ATOM 902 CA SER A 63 11.716 12.253 6.408 1.00 0.00 C ATOM 903 C SER A 63 12.222 10.817 6.511 1.00 0.00 C ATOM 904 O SER A 63 13.426 10.576 6.595 1.00 0.00 O ATOM 905 CB SER A 63 12.655 13.192 7.169 1.00 0.00 C ATOM 906 OG SER A 63 12.396 14.546 6.844 1.00 0.00 O ATOM 0 H SER A 63 9.690 12.773 6.276 1.00 0.00 H new ATOM 0 HA SER A 63 11.700 12.540 5.357 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.533 13.043 8.242 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.690 12.949 6.929 1.00 0.00 H new ATOM 0 HG SER A 63 13.008 15.125 7.344 1.00 0.00 H new ATOM 912 N ARG A 64 11.292 9.868 6.502 1.00 0.00 N ATOM 913 CA ARG A 64 11.641 8.455 6.595 1.00 0.00 C ATOM 914 C ARG A 64 10.672 7.601 5.784 1.00 0.00 C ATOM 915 O ARG A 64 9.774 8.121 5.122 1.00 0.00 O ATOM 916 CB ARG A 64 11.637 8.002 8.057 1.00 0.00 C ATOM 917 CG ARG A 64 10.271 7.558 8.553 1.00 0.00 C ATOM 918 CD ARG A 64 10.361 6.909 9.925 1.00 0.00 C ATOM 919 NE ARG A 64 9.118 7.048 10.679 1.00 0.00 N ATOM 920 CZ ARG A 64 8.785 6.265 11.699 1.00 0.00 C ATOM 921 NH1 ARG A 64 9.600 5.293 12.086 1.00 0.00 N ATOM 922 NH2 ARG A 64 7.637 6.454 12.335 1.00 0.00 N ATOM 0 H ARG A 64 10.291 10.052 6.431 1.00 0.00 H new ATOM 0 HA ARG A 64 12.642 8.326 6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.342 7.179 8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.993 8.820 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.602 8.418 8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.836 6.854 7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.599 5.852 9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.178 7.361 10.487 1.00 0.00 H new ATOM 0 HE ARG A 64 8.470 7.787 10.407 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.485 5.145 11.600 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.342 4.693 12.870 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.008 7.201 12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.383 5.852 13.118 1.00 0.00 H new ATOM 936 N VAL A 65 10.860 6.286 5.841 1.00 0.00 N ATOM 937 CA VAL A 65 10.003 5.359 5.112 1.00 0.00 C ATOM 938 C VAL A 65 9.114 4.568 6.065 1.00 0.00 C ATOM 939 O VAL A 65 9.558 3.602 6.687 1.00 0.00 O ATOM 940 CB VAL A 65 10.832 4.375 4.265 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.919 3.475 3.446 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.797 5.131 3.364 1.00 0.00 C ATOM 0 H VAL A 65 11.598 5.839 6.385 1.00 0.00 H new ATOM 0 HA VAL A 65 9.379 5.959 4.450 1.00 0.00 H new ATOM 0 HB VAL A 65 11.415 3.745 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.522 2.787 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.272 2.907 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.308 4.085 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.375 4.421 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.235 5.786 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.473 5.729 3.975 1.00 0.00 H new ATOM 952 N SER A 66 7.856 4.983 6.175 1.00 0.00 N ATOM 953 CA SER A 66 6.905 4.315 7.056 1.00 0.00 C ATOM 954 C SER A 66 6.464 2.979 6.465 1.00 0.00 C ATOM 955 O SER A 66 5.573 2.926 5.617 1.00 0.00 O ATOM 956 CB SER A 66 5.685 5.208 7.294 1.00 0.00 C ATOM 957 OG SER A 66 5.937 6.151 8.321 1.00 0.00 O ATOM 0 H SER A 66 7.472 5.778 5.665 1.00 0.00 H new ATOM 0 HA SER A 66 7.400 4.126 8.009 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.427 5.729 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.827 4.593 7.563 1.00 0.00 H new ATOM 0 HG SER A 66 5.143 6.711 8.453 1.00 0.00 H new ATOM 963 N HIS A 67 7.095 1.901 6.920 1.00 0.00 N ATOM 964 CA HIS A 67 6.769 0.564 6.438 1.00 0.00 C ATOM 965 C HIS A 67 5.518 0.028 7.128 1.00 0.00 C ATOM 966 O HIS A 67 5.546 -0.307 8.313 1.00 0.00 O ATOM 967 CB HIS A 67 7.943 -0.387 6.674 1.00 0.00 C ATOM 968 CG HIS A 67 9.186 0.001 5.935 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.550 -0.560 4.729 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.150 0.902 6.235 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.686 -0.023 4.321 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.071 0.868 5.217 1.00 0.00 N ATOM 0 H HIS A 67 7.835 1.928 7.622 1.00 0.00 H new ATOM 0 HA HIS A 67 6.573 0.628 5.368 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.161 -0.424 7.741 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.651 -1.393 6.374 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.188 1.531 7.112 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.211 -0.270 3.410 1.00 0.00 H new ATOM 0 HE2 HIS A 67 11.915 1.438 5.162 1.00 0.00 H new ATOM 981 N TYR A 68 4.423 -0.049 6.381 1.00 0.00 N ATOM 982 CA TYR A 68 3.161 -0.540 6.922 1.00 0.00 C ATOM 983 C TYR A 68 2.936 -2.000 6.537 1.00 0.00 C ATOM 984 O TYR A 68 2.424 -2.296 5.457 1.00 0.00 O ATOM 985 CB TYR A 68 1.998 0.317 6.419 1.00 0.00 C ATOM 986 CG TYR A 68 1.884 1.652 7.119 1.00 0.00 C ATOM 987 CD1 TYR A 68 1.468 1.733 8.442 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.193 2.834 6.456 1.00 0.00 C ATOM 989 CE1 TYR A 68 1.362 2.951 9.084 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.091 4.057 7.091 1.00 0.00 C ATOM 991 CZ TYR A 68 1.674 4.110 8.405 1.00 0.00 C ATOM 992 OH TYR A 68 1.571 5.325 9.042 1.00 0.00 O ATOM 0 H TYR A 68 4.383 0.222 5.399 1.00 0.00 H new ATOM 0 HA TYR A 68 3.209 -0.472 8.009 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.118 0.486 5.349 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.067 -0.234 6.552 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.223 0.828 8.978 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.518 2.796 5.427 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.036 2.996 10.113 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.336 4.966 6.562 1.00 0.00 H new ATOM 0 HH TYR A 68 1.828 6.041 8.424 1.00 0.00 H new ATOM 1002 N ILE A 69 3.321 -2.906 7.429 1.00 0.00 N ATOM 1003 CA ILE A 69 3.160 -4.334 7.185 1.00 0.00 C ATOM 1004 C ILE A 69 1.692 -4.695 6.984 1.00 0.00 C ATOM 1005 O ILE A 69 0.810 -4.135 7.636 1.00 0.00 O ATOM 1006 CB ILE A 69 3.728 -5.171 8.346 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.223 -4.893 8.520 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.485 -6.652 8.099 1.00 0.00 C ATOM 1009 CD1 ILE A 69 5.811 -5.509 9.770 1.00 0.00 C ATOM 0 H ILE A 69 3.747 -2.677 8.327 1.00 0.00 H new ATOM 0 HA ILE A 69 3.716 -4.564 6.276 1.00 0.00 H new ATOM 0 HB ILE A 69 3.215 -4.887 9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.759 -5.274 7.651 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.383 -3.815 8.546 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.892 -7.231 8.928 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.414 -6.837 8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.975 -6.952 7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.873 -5.271 9.828 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.301 -5.110 10.647 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.683 -6.591 9.737 1.00 0.00 H new ATOM 1021 N ILE A 70 1.438 -5.634 6.079 1.00 0.00 N ATOM 1022 CA ILE A 70 0.077 -6.072 5.795 1.00 0.00 C ATOM 1023 C ILE A 70 -0.100 -7.554 6.107 1.00 0.00 C ATOM 1024 O ILE A 70 0.239 -8.414 5.296 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.299 -5.820 4.323 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.274 -4.321 4.016 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.671 -6.405 4.019 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.095 -3.807 3.629 1.00 0.00 C ATOM 0 H ILE A 70 2.157 -6.106 5.530 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.583 -5.487 6.436 1.00 0.00 H new ATOM 0 HB ILE A 70 0.435 -6.314 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.974 -4.112 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.625 -3.773 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.923 -6.219 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.657 -7.479 4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.417 -5.936 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.038 -2.738 3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.794 -3.984 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.440 -4.328 2.736 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.636 -7.844 7.288 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.860 -9.223 7.708 1.00 0.00 C ATOM 1042 C ASN A 71 -1.802 -9.938 6.744 1.00 0.00 C ATOM 1043 O ASN A 71 -2.714 -9.330 6.184 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.437 -9.260 9.124 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.519 -8.608 10.140 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.944 -7.756 10.921 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.748 -9.005 10.132 1.00 0.00 N ATOM 0 H ASN A 71 -0.923 -7.143 7.971 1.00 0.00 H new ATOM 0 HA ASN A 71 0.100 -9.739 7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.402 -8.754 9.133 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.617 -10.295 9.413 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.413 -8.601 10.791 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.056 -9.714 9.467 1.00 0.00 H new ATOM 1054 N SER A 72 -1.575 -11.235 6.556 1.00 0.00 N ATOM 1055 CA SER A 72 -2.401 -12.033 5.658 1.00 0.00 C ATOM 1056 C SER A 72 -3.466 -12.800 6.437 1.00 0.00 C ATOM 1057 O SER A 72 -3.177 -13.817 7.069 1.00 0.00 O ATOM 1058 CB SER A 72 -1.532 -13.009 4.864 1.00 0.00 C ATOM 1059 OG SER A 72 -2.275 -13.627 3.827 1.00 0.00 O ATOM 0 H SER A 72 -0.826 -11.755 7.014 1.00 0.00 H new ATOM 0 HA SER A 72 -2.900 -11.356 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.680 -12.479 4.439 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.132 -13.771 5.533 1.00 0.00 H new ATOM 0 HG SER A 72 -1.696 -14.245 3.333 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.697 -12.305 6.388 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.807 -12.943 7.088 1.00 0.00 C ATOM 1067 C LEU A 73 -6.252 -14.209 6.364 1.00 0.00 C ATOM 1068 O LEU A 73 -6.182 -14.311 5.140 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.983 -11.972 7.212 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.683 -10.638 7.896 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.944 -9.793 7.993 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.087 -10.869 9.277 1.00 0.00 C ATOM 0 H LEU A 73 -4.952 -11.464 5.871 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.465 -13.219 8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.366 -11.767 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.782 -12.469 7.763 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.953 -10.098 7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.711 -8.847 8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.329 -9.598 6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.696 -10.327 8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.880 -9.909 9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.794 -11.429 9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.160 -11.435 9.183 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.723 -15.199 7.138 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.192 -16.476 6.592 1.00 0.00 C ATOM 1086 C PRO A 74 -8.496 -16.330 5.814 1.00 0.00 C ATOM 1087 O PRO A 74 -8.836 -17.178 4.991 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.406 -17.338 7.838 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.658 -16.361 8.935 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.836 -15.147 8.605 1.00 0.00 C ATOM 0 HA PRO A 74 -6.483 -16.900 5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.250 -18.016 7.710 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.531 -17.953 8.049 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.717 -16.110 8.998 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.371 -16.776 9.901 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.322 -14.230 8.938 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.858 -15.182 9.085 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.221 -15.249 6.082 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.488 -14.993 5.406 1.00 0.00 C ATOM 1100 C ASN A 75 -10.265 -14.236 4.100 1.00 0.00 C ATOM 1101 O ASN A 75 -11.045 -13.353 3.742 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.423 -14.196 6.318 1.00 0.00 C ATOM 1103 CG ASN A 75 -11.384 -14.682 7.754 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -11.633 -15.855 8.030 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -11.072 -13.779 8.676 1.00 0.00 N ATOM 0 H ASN A 75 -8.954 -14.537 6.762 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.949 -15.953 5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.146 -13.142 6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.443 -14.269 5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.031 -14.047 9.659 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.873 -12.817 8.401 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.197 -14.589 3.393 1.00 0.00 N ATOM 1113 CA ARG A 76 -8.871 -13.943 2.128 1.00 0.00 C ATOM 1114 C ARG A 76 -8.925 -12.424 2.263 1.00 0.00 C ATOM 1115 O ARG A 76 -9.442 -11.731 1.386 1.00 0.00 O ATOM 1116 CB ARG A 76 -9.835 -14.403 1.033 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.887 -15.912 0.861 1.00 0.00 C ATOM 1118 CD ARG A 76 -8.818 -16.400 -0.104 1.00 0.00 C ATOM 1119 NE ARG A 76 -7.547 -16.654 0.571 1.00 0.00 N ATOM 1120 CZ ARG A 76 -6.481 -17.161 -0.038 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -6.532 -17.466 -1.327 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -5.360 -17.363 0.643 1.00 0.00 N ATOM 0 H ARG A 76 -8.543 -15.319 3.675 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.856 -14.230 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.835 -14.038 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.541 -13.948 0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.752 -16.394 1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.871 -16.204 0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.159 -17.314 -0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.670 -15.657 -0.888 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.475 -16.430 1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.392 -17.311 -1.854 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.712 -17.855 -1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.317 -17.129 1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.542 -17.752 0.175 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.388 -11.914 3.367 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.377 -10.478 3.617 1.00 0.00 C ATOM 1138 C ARG A 77 -7.006 -10.023 4.110 1.00 0.00 C ATOM 1139 O ARG A 77 -6.164 -10.842 4.480 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.448 -10.109 4.645 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.855 -10.074 4.072 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.899 -10.358 5.140 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.247 -10.431 4.583 1.00 0.00 N ATOM 1144 CZ ARG A 77 -14.279 -10.970 5.223 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -14.118 -11.481 6.436 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.475 -10.999 4.649 1.00 0.00 N ATOM 0 H ARG A 77 -7.955 -12.474 4.102 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.594 -9.969 2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.416 -10.827 5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.213 -9.132 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.044 -9.097 3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.942 -10.810 3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.661 -11.298 5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.862 -9.577 5.899 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.405 -10.047 3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.200 -11.461 6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.912 -11.894 6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.602 -10.607 3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.267 -11.413 5.141 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.789 -8.712 4.112 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.520 -8.147 4.557 1.00 0.00 C ATOM 1162 C PHE A 78 -5.724 -7.235 5.763 1.00 0.00 C ATOM 1163 O PHE A 78 -6.655 -6.429 5.796 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.857 -7.368 3.420 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.317 -8.246 2.327 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -3.250 -9.096 2.567 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -4.878 -8.221 1.060 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -2.751 -9.904 1.562 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -4.383 -9.027 0.052 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.319 -9.870 0.304 1.00 0.00 C ATOM 0 H PHE A 78 -7.476 -8.021 3.810 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.868 -8.970 4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.582 -6.675 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.044 -6.767 3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.803 -9.128 3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.711 -7.564 0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.917 -10.561 1.761 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.828 -8.997 -0.932 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.932 -10.502 -0.482 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.848 -7.367 6.753 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.929 -6.555 7.961 1.00 0.00 C ATOM 1182 C LYS A 79 -3.677 -5.701 8.128 1.00 0.00 C ATOM 1183 O LYS A 79 -2.634 -6.191 8.563 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.118 -7.449 9.189 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.189 -6.679 10.496 1.00 0.00 C ATOM 1186 CD LYS A 79 -5.007 -7.596 11.694 1.00 0.00 C ATOM 1187 CE LYS A 79 -4.924 -6.808 12.992 1.00 0.00 C ATOM 1188 NZ LYS A 79 -5.139 -7.676 14.183 1.00 0.00 N ATOM 0 H LYS A 79 -4.073 -8.030 6.742 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.789 -5.892 7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.033 -8.029 9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.294 -8.161 9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.419 -5.907 10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.151 -6.171 10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.839 -8.298 11.746 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.100 -8.186 11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.948 -6.328 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.670 -6.013 12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.075 -7.101 15.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.081 -8.114 14.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.412 -8.419 14.207 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.787 -4.423 7.782 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.663 -3.501 7.897 1.00 0.00 C ATOM 1204 C ILE A 80 -2.662 -2.803 9.252 1.00 0.00 C ATOM 1205 O ILE A 80 -3.382 -1.827 9.460 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.692 -2.438 6.784 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.635 -1.363 7.048 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.076 -1.814 6.682 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.234 -0.593 5.810 1.00 0.00 C ATOM 0 H ILE A 80 -4.643 -4.002 7.420 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.755 -4.095 7.797 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.463 -2.922 5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.017 -0.665 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.750 -1.833 7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.080 -1.065 5.891 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.808 -2.588 6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.333 -1.342 7.630 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.482 0.151 6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.822 -1.281 5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.109 -0.094 5.393 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.845 -3.308 10.172 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.764 -2.719 11.496 1.00 0.00 C ATOM 1223 C GLY A 81 -2.919 -3.131 12.386 1.00 0.00 C ATOM 1224 O GLY A 81 -2.995 -4.278 12.826 1.00 0.00 O ATOM 0 H GLY A 81 -1.238 -4.114 10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.825 -3.014 11.965 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.748 -1.633 11.407 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.821 -2.193 12.655 1.00 0.00 N ATOM 1229 CA ASP A 82 -4.978 -2.464 13.499 1.00 0.00 C ATOM 1230 C ASP A 82 -6.276 -2.281 12.718 1.00 0.00 C ATOM 1231 O ASP A 82 -7.327 -2.013 13.299 1.00 0.00 O ATOM 1232 CB ASP A 82 -4.970 -1.546 14.722 1.00 0.00 C ATOM 1233 CG ASP A 82 -4.197 -2.136 15.885 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -4.710 -3.082 16.519 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -3.079 -1.651 16.161 1.00 0.00 O ATOM 0 H ASP A 82 -3.773 -1.238 12.300 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.919 -3.500 13.832 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.532 -0.586 14.449 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.996 -1.352 15.033 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.192 -2.427 11.400 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.360 -2.275 10.540 1.00 0.00 C ATOM 1242 C GLN A 83 -7.466 -3.436 9.556 1.00 0.00 C ATOM 1243 O GLN A 83 -6.492 -4.149 9.316 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.290 -0.951 9.778 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.506 0.270 10.658 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.903 0.326 11.245 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -9.077 0.312 12.464 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -9.907 0.392 10.379 1.00 0.00 N ATOM 0 H GLN A 83 -5.329 -2.650 10.905 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.248 -2.276 11.172 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.317 -0.871 9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.041 -0.956 8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.776 0.264 11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.325 1.172 10.073 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.716 0.401 9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.869 0.434 10.716 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.655 -3.620 8.991 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.887 -4.696 8.035 1.00 0.00 C ATOM 1259 C GLU A 84 -9.669 -4.190 6.826 1.00 0.00 C ATOM 1260 O GLU A 84 -10.469 -3.260 6.934 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.646 -5.846 8.701 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.886 -6.495 9.845 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.750 -7.435 10.661 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.511 -8.218 10.054 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.667 -7.389 11.906 1.00 0.00 O ATOM 0 H GLU A 84 -9.472 -3.038 9.179 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.918 -5.059 7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.599 -5.473 9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.873 -6.603 7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.035 -7.046 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.485 -5.718 10.497 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.430 -4.808 5.674 1.00 0.00 N ATOM 1273 CA PHE A 85 -10.110 -4.420 4.443 1.00 0.00 C ATOM 1274 C PHE A 85 -10.485 -5.648 3.619 1.00 0.00 C ATOM 1275 O PHE A 85 -10.235 -6.782 4.026 1.00 0.00 O ATOM 1276 CB PHE A 85 -9.220 -3.489 3.616 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.917 -2.186 4.299 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.799 -1.121 4.209 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.752 -2.027 5.030 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.522 0.079 4.835 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.470 -0.829 5.660 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.357 0.226 5.563 1.00 0.00 C ATOM 0 H PHE A 85 -8.771 -5.579 5.567 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.025 -3.892 4.713 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.283 -3.999 3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.708 -3.285 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.713 -1.230 3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.055 -2.848 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.216 0.902 4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.558 -0.718 6.227 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.140 1.163 6.055 1.00 0.00 H new ATOM 1292 N ASP A 86 -11.088 -5.412 2.459 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.499 -6.498 1.576 1.00 0.00 C ATOM 1294 C ASP A 86 -10.298 -7.084 0.840 1.00 0.00 C ATOM 1295 O ASP A 86 -10.278 -8.269 0.507 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.537 -6.000 0.569 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.920 -5.873 1.178 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -14.373 -6.838 1.829 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.549 -4.809 1.004 1.00 0.00 O ATOM 0 H ASP A 86 -11.303 -4.479 2.108 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.945 -7.282 2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.225 -5.031 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.577 -6.687 -0.277 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.298 -6.245 0.588 1.00 0.00 N ATOM 1305 CA HIS A 87 -8.093 -6.679 -0.110 1.00 0.00 C ATOM 1306 C HIS A 87 -7.069 -5.550 -0.180 1.00 0.00 C ATOM 1307 O HIS A 87 -7.271 -4.478 0.392 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.440 -7.158 -1.520 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.554 -6.387 -2.157 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.397 -5.112 -2.659 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.848 -6.718 -2.375 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.547 -4.692 -3.156 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.444 -5.648 -2.997 1.00 0.00 N ATOM 0 H HIS A 87 -9.298 -5.261 0.857 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.657 -7.507 0.449 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.552 -7.084 -2.148 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.715 -8.212 -1.479 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.324 -7.650 -2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.723 -3.730 -3.614 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.420 -5.600 -3.289 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.970 -5.798 -0.884 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.914 -4.803 -1.029 1.00 0.00 C ATOM 1324 C LEU A 88 -5.463 -3.507 -1.617 1.00 0.00 C ATOM 1325 O LEU A 88 -5.395 -2.441 -1.005 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.794 -5.345 -1.918 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.610 -5.985 -1.192 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.678 -6.662 -2.184 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.858 -4.943 -0.376 1.00 0.00 C ATOM 0 H LEU A 88 -5.787 -6.680 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.512 -4.589 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.221 -6.084 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.418 -4.528 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.994 -6.744 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.842 -7.112 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.222 -7.437 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.301 -5.923 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.019 -5.416 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.486 -4.161 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.530 -4.504 0.362 1.00 0.00 H new ATOM 1341 N PRO A 89 -6.024 -3.599 -2.832 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.599 -2.444 -3.528 1.00 0.00 C ATOM 1343 C PRO A 89 -7.880 -1.947 -2.866 1.00 0.00 C ATOM 1344 O PRO A 89 -8.588 -1.105 -3.418 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.895 -2.985 -4.928 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.068 -4.453 -4.739 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.140 -4.838 -3.619 1.00 0.00 C ATOM 0 HA PRO A 89 -5.925 -1.587 -3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.794 -2.531 -5.346 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.079 -2.768 -5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.101 -4.696 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.824 -4.996 -5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.546 -5.656 -3.024 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.171 -5.168 -3.995 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.172 -2.474 -1.682 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.366 -2.083 -0.945 1.00 0.00 C ATOM 1357 C ALA A 90 -9.005 -1.269 0.293 1.00 0.00 C ATOM 1358 O ALA A 90 -9.858 -0.602 0.881 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.172 -3.312 -0.553 1.00 0.00 C ATOM 0 H ALA A 90 -7.597 -3.174 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.975 -1.456 -1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.061 -3.004 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.470 -3.853 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.563 -3.961 0.076 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.737 -1.328 0.685 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.263 -0.596 1.855 1.00 0.00 C ATOM 1367 C LEU A 91 -6.620 0.726 1.446 1.00 0.00 C ATOM 1368 O LEU A 91 -6.821 1.753 2.095 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.260 -1.444 2.639 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.869 -1.582 2.019 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.968 -0.442 2.469 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.254 -2.925 2.384 1.00 0.00 C ATOM 0 H LEU A 91 -7.019 -1.875 0.210 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.121 -0.380 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.151 -1.014 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.680 -2.442 2.767 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.969 -1.532 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.983 -0.557 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.401 0.509 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.874 -0.459 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.264 -3.006 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.168 -3.003 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.889 -3.729 2.012 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.847 0.692 0.367 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.175 1.888 -0.131 1.00 0.00 C ATOM 1386 C LEU A 92 -6.189 2.954 -0.535 1.00 0.00 C ATOM 1387 O LEU A 92 -5.946 4.149 -0.371 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.284 1.538 -1.323 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.245 0.441 -1.085 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.913 -0.271 -2.387 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -1.987 1.026 -0.459 1.00 0.00 C ATOM 0 H LEU A 92 -5.669 -0.150 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.556 2.287 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.923 1.232 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.763 2.442 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.666 -0.289 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.172 -1.048 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.817 -0.723 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.511 0.447 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.258 0.232 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.563 1.776 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.237 1.490 0.495 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.327 2.512 -1.062 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.378 3.428 -1.488 1.00 0.00 C ATOM 1405 C GLU A 93 -9.072 4.057 -0.284 1.00 0.00 C ATOM 1406 O GLU A 93 -9.641 5.145 -0.379 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.403 2.696 -2.356 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.213 1.659 -1.597 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.386 1.131 -2.402 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -12.332 1.908 -2.649 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -11.357 -0.057 -2.784 1.00 0.00 O ATOM 0 H GLU A 93 -7.544 1.526 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.916 4.222 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.083 3.426 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.885 2.207 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.564 0.828 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.582 2.099 -0.670 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.022 3.365 0.849 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.647 3.854 2.073 1.00 0.00 C ATOM 1420 C PHE A 94 -8.714 4.804 2.818 1.00 0.00 C ATOM 1421 O PHE A 94 -9.147 5.566 3.683 1.00 0.00 O ATOM 1422 CB PHE A 94 -10.029 2.682 2.979 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.019 3.048 4.048 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.361 3.206 3.742 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.607 3.234 5.358 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.274 3.544 4.723 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.516 3.571 6.343 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.851 3.725 6.026 1.00 0.00 C ATOM 0 H PHE A 94 -8.555 2.463 0.945 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.549 4.400 1.797 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.446 1.882 2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.128 2.288 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.697 3.063 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.564 3.114 5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.317 3.667 4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.182 3.714 7.360 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.563 3.986 6.795 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.431 4.754 2.475 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.436 5.607 3.113 1.00 0.00 C ATOM 1440 C TYR A 95 -6.242 6.899 2.325 1.00 0.00 C ATOM 1441 O TYR A 95 -5.721 7.886 2.846 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.103 4.867 3.237 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.991 4.027 4.489 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.170 4.591 5.746 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.706 2.669 4.415 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -5.068 3.827 6.893 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.604 1.897 5.556 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.785 2.481 6.792 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.683 1.716 7.931 1.00 0.00 O ATOM 0 H TYR A 95 -7.056 4.132 1.759 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.797 5.861 4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.971 4.225 2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.291 5.594 3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.393 5.645 5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.562 2.209 3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.209 4.281 7.863 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.384 0.842 5.480 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.956 0.796 7.733 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.665 6.886 1.066 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.541 8.056 0.204 1.00 0.00 C ATOM 1461 C LYS A 96 -7.138 9.290 0.873 1.00 0.00 C ATOM 1462 O LYS A 96 -6.840 10.421 0.487 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.235 7.803 -1.136 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.450 6.895 -2.066 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.338 6.302 -3.147 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.404 7.204 -4.370 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.620 6.939 -5.189 1.00 0.00 N ATOM 0 H LYS A 96 -7.097 6.077 0.619 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.481 8.237 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.214 7.361 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.406 8.758 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.640 7.459 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.991 6.092 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.957 5.323 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.342 6.149 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.400 8.247 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.514 7.053 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.629 7.573 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.612 5.951 -5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.470 7.108 -4.614 1.00 0.00 H new ATOM 1481 N ILE A 97 -7.979 9.065 1.877 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.614 10.160 2.600 1.00 0.00 C ATOM 1483 C ILE A 97 -8.195 10.166 4.066 1.00 0.00 C ATOM 1484 O ILE A 97 -8.067 11.225 4.682 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.150 10.072 2.517 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.647 8.793 3.193 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.606 10.123 1.067 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.153 8.716 3.308 1.00 0.00 C ATOM 0 H ILE A 97 -8.236 8.135 2.208 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.285 11.085 2.127 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.577 10.927 3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.289 7.931 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.211 8.725 4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.693 10.060 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.279 11.060 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.173 9.286 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.433 7.783 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.516 9.558 3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.596 8.751 2.313 1.00 0.00 H new ATOM 1500 N HIS A 98 -7.980 8.977 4.620 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.571 8.846 6.014 1.00 0.00 C ATOM 1502 C HIS A 98 -6.061 9.012 6.156 1.00 0.00 C ATOM 1503 O HIS A 98 -5.296 8.583 5.292 1.00 0.00 O ATOM 1504 CB HIS A 98 -8.001 7.487 6.568 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.477 7.373 6.794 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -10.114 6.169 7.014 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.443 8.320 6.835 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.407 6.382 7.179 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.633 7.679 7.075 1.00 0.00 N ATOM 0 H HIS A 98 -8.082 8.091 4.125 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.060 9.635 6.586 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.686 6.706 5.876 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.482 7.307 7.510 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -9.658 5.257 7.044 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.304 9.383 6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.153 5.624 7.367 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.640 9.636 7.250 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.221 9.861 7.503 1.00 0.00 C ATOM 1520 C TYR A 99 -3.646 8.762 8.392 1.00 0.00 C ATOM 1521 O TYR A 99 -4.022 8.630 9.558 1.00 0.00 O ATOM 1522 CB TYR A 99 -4.009 11.226 8.159 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.490 12.385 7.314 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.842 12.554 7.038 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.594 13.309 6.792 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.286 13.610 6.266 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.030 14.369 6.020 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.376 14.515 5.760 1.00 0.00 C ATOM 1529 OH TYR A 99 -5.814 15.569 4.991 1.00 0.00 O ATOM 0 H TYR A 99 -6.260 9.995 7.976 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.699 9.840 6.546 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.530 11.245 9.116 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.948 11.357 8.371 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.557 11.848 7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.539 13.197 6.993 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.340 13.726 6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.320 15.079 5.622 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.047 16.113 4.714 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.731 7.977 7.834 1.00 0.00 N ATOM 1540 CA LEU A 100 -2.101 6.890 8.575 1.00 0.00 C ATOM 1541 C LEU A 100 -1.555 7.385 9.909 1.00 0.00 C ATOM 1542 O LEU A 100 -2.066 7.030 10.972 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.974 6.269 7.748 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.342 5.840 6.327 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.121 5.885 5.422 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.953 4.446 6.332 1.00 0.00 C ATOM 0 H LEU A 100 -2.409 8.073 6.871 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.858 6.132 8.773 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.156 6.987 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.596 5.398 8.283 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.083 6.539 5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.403 5.576 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.273 6.901 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.643 5.210 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.209 4.157 5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.235 3.735 6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.854 4.446 6.946 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.514 8.209 9.847 1.00 0.00 N ATOM 1559 CA ASP A 101 0.100 8.757 11.051 1.00 0.00 C ATOM 1560 C ASP A 101 0.054 10.282 11.040 1.00 0.00 C ATOM 1561 O ASP A 101 -0.606 10.900 11.876 1.00 0.00 O ATOM 1562 CB ASP A 101 1.548 8.279 11.173 1.00 0.00 C ATOM 1563 CG ASP A 101 2.004 8.175 12.615 1.00 0.00 C ATOM 1564 OD1 ASP A 101 2.221 9.231 13.247 1.00 0.00 O ATOM 1565 OD2 ASP A 101 2.144 7.039 13.112 1.00 0.00 O ATOM 0 H ASP A 101 -0.078 8.512 8.976 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.466 8.401 11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.648 7.306 10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.201 8.968 10.637 1.00 0.00 H new ATOM 1570 N THR A 102 0.759 10.883 10.087 1.00 0.00 N ATOM 1571 CA THR A 102 0.800 12.335 9.967 1.00 0.00 C ATOM 1572 C THR A 102 0.412 12.782 8.562 1.00 0.00 C ATOM 1573 O THR A 102 0.245 13.975 8.303 1.00 0.00 O ATOM 1574 CB THR A 102 2.198 12.887 10.302 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.151 14.315 10.398 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.210 12.478 9.242 1.00 0.00 C ATOM 0 H THR A 102 1.310 10.386 9.387 1.00 0.00 H new ATOM 0 HA THR A 102 0.080 12.732 10.683 1.00 0.00 H new ATOM 0 HB THR A 102 2.509 12.469 11.259 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.478 14.663 9.776 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.190 12.880 9.500 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.265 11.391 9.192 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.901 12.871 8.273 1.00 0.00 H new ATOM 1584 N THR A 103 0.271 11.819 7.657 1.00 0.00 N ATOM 1585 CA THR A 103 -0.097 12.114 6.278 1.00 0.00 C ATOM 1586 C THR A 103 -0.957 11.002 5.688 1.00 0.00 C ATOM 1587 O THR A 103 -1.315 10.047 6.378 1.00 0.00 O ATOM 1588 CB THR A 103 1.150 12.307 5.394 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.817 13.092 4.244 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.713 10.965 4.952 1.00 0.00 C ATOM 0 H THR A 103 0.406 10.827 7.854 1.00 0.00 H new ATOM 0 HA THR A 103 -0.669 13.041 6.295 1.00 0.00 H new ATOM 0 HB THR A 103 1.908 12.825 5.981 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.615 13.212 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.593 11.127 4.329 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.992 10.381 5.829 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.958 10.424 4.381 1.00 0.00 H new ATOM 1598 N THR A 104 -1.286 11.131 4.407 1.00 0.00 N ATOM 1599 CA THR A 104 -2.104 10.137 3.724 1.00 0.00 C ATOM 1600 C THR A 104 -1.415 9.629 2.463 1.00 0.00 C ATOM 1601 O THR A 104 -0.359 10.132 2.075 1.00 0.00 O ATOM 1602 CB THR A 104 -3.484 10.709 3.346 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.341 11.685 2.307 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.157 11.343 4.554 1.00 0.00 C ATOM 0 H THR A 104 -0.998 11.915 3.821 1.00 0.00 H new ATOM 0 HA THR A 104 -2.240 9.308 4.419 1.00 0.00 H new ATOM 0 HB THR A 104 -4.108 9.889 2.991 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.222 12.043 2.071 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.129 11.740 4.262 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.290 10.592 5.332 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.534 12.153 4.934 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.017 8.630 1.827 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.460 8.054 0.608 1.00 0.00 C ATOM 1614 C LEU A 105 -1.809 8.908 -0.607 1.00 0.00 C ATOM 1615 O LEU A 105 -2.970 8.989 -1.008 1.00 0.00 O ATOM 1616 CB LEU A 105 -1.981 6.629 0.410 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.740 5.660 1.568 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.540 4.382 1.370 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.257 5.347 1.702 1.00 0.00 C ATOM 0 H LEU A 105 -2.890 8.202 2.135 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.375 8.027 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.053 6.678 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.518 6.215 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.075 6.135 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.356 3.705 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.602 4.621 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.236 3.903 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.104 4.656 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.104 4.892 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.294 6.268 1.892 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.796 9.541 -1.189 1.00 0.00 N ATOM 1632 CA ILE A 106 -0.996 10.385 -2.360 1.00 0.00 C ATOM 1633 C ILE A 106 -0.913 9.571 -3.646 1.00 0.00 C ATOM 1634 O ILE A 106 -1.912 9.387 -4.341 1.00 0.00 O ATOM 1635 CB ILE A 106 0.042 11.522 -2.418 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.083 12.273 -1.085 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.279 12.475 -3.559 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.079 13.222 -0.891 1.00 0.00 C ATOM 0 H ILE A 106 0.171 9.485 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.993 10.817 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 106 1.025 11.087 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.091 11.550 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.015 12.835 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.463 13.273 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.262 11.931 -4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.269 12.906 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.985 13.720 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.076 13.968 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.014 12.663 -0.922 1.00 0.00 H new ATOM 1650 N GLU A 107 0.285 9.083 -3.955 1.00 0.00 N ATOM 1651 CA GLU A 107 0.497 8.287 -5.158 1.00 0.00 C ATOM 1652 C GLU A 107 1.650 7.307 -4.965 1.00 0.00 C ATOM 1653 O GLU A 107 2.577 7.544 -4.190 1.00 0.00 O ATOM 1654 CB GLU A 107 0.781 9.196 -6.356 1.00 0.00 C ATOM 1655 CG GLU A 107 2.161 9.832 -6.323 1.00 0.00 C ATOM 1656 CD GLU A 107 3.208 8.989 -7.025 1.00 0.00 C ATOM 1657 OE1 GLU A 107 2.889 8.407 -8.082 1.00 0.00 O ATOM 1658 OE2 GLU A 107 4.346 8.912 -6.516 1.00 0.00 O ATOM 0 H GLU A 107 1.122 9.225 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.413 7.718 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.679 8.616 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.028 9.983 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.116 10.814 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.460 9.988 -5.287 1.00 0.00 H new ATOM 1665 N PRO A 108 1.594 6.177 -5.687 1.00 0.00 N ATOM 1666 CA PRO A 108 2.625 5.138 -5.612 1.00 0.00 C ATOM 1667 C PRO A 108 3.944 5.584 -6.234 1.00 0.00 C ATOM 1668 O PRO A 108 3.958 6.297 -7.237 1.00 0.00 O ATOM 1669 CB PRO A 108 2.021 3.981 -6.413 1.00 0.00 C ATOM 1670 CG PRO A 108 1.067 4.630 -7.356 1.00 0.00 C ATOM 1671 CD PRO A 108 0.519 5.828 -6.630 1.00 0.00 C ATOM 0 HA PRO A 108 2.869 4.880 -4.582 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.791 3.426 -6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.512 3.271 -5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.569 4.927 -8.276 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.268 3.944 -7.636 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.303 6.648 -7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.410 5.593 -6.111 1.00 0.00 H new ATOM 1679 N ALA A 109 5.050 5.161 -5.632 1.00 0.00 N ATOM 1680 CA ALA A 109 6.374 5.515 -6.128 1.00 0.00 C ATOM 1681 C ALA A 109 6.503 5.207 -7.616 1.00 0.00 C ATOM 1682 O ALA A 109 5.765 4.394 -8.172 1.00 0.00 O ATOM 1683 CB ALA A 109 7.447 4.780 -5.339 1.00 0.00 C ATOM 0 H ALA A 109 5.056 4.572 -4.799 1.00 0.00 H new ATOM 0 HA ALA A 109 6.511 6.588 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.431 5.054 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.377 5.054 -4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.304 3.705 -5.444 1.00 0.00 H new ATOM 1689 N PRO A 110 7.462 5.871 -8.278 1.00 0.00 N ATOM 1690 CA PRO A 110 7.710 5.685 -9.710 1.00 0.00 C ATOM 1691 C PRO A 110 8.306 4.316 -10.022 1.00 0.00 C ATOM 1692 O PRO A 110 9.041 3.750 -9.212 1.00 0.00 O ATOM 1693 CB PRO A 110 8.711 6.793 -10.044 1.00 0.00 C ATOM 1694 CG PRO A 110 9.402 7.080 -8.756 1.00 0.00 C ATOM 1695 CD PRO A 110 8.379 6.856 -7.678 1.00 0.00 C ATOM 0 HA PRO A 110 6.790 5.734 -10.293 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.417 6.471 -10.809 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.207 7.679 -10.429 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.262 6.424 -8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.775 8.104 -8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.835 6.476 -6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.862 7.779 -7.416 1.00 0.00 H new