USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 768 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 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 77 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 15 SER OG : rot 89:sc= 0.195 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -86:sc= 0.127 USER MOD Single : A 29 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.28) USER MOD Single : A 43 TYR OH : rot 180:sc= -2.99! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=0) USER MOD Single : A 60 CYS SG : rot 19:sc= 0.141 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 HIS :FLIP no HE2:sc= 0.073 F(o=-0.43,f=0.073) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.03 K(o=-1,f=-3.7!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.638 K(o=0.64,f=-5.4!) USER MOD Single : A 92 HIS : no HD1:sc= -0.0734 X(o=-0.073,f=-0.26) USER MOD Single : A 93 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 96 GLN : amide:sc= -1.65 X(o=-1.7,f=-1.9) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -128:sc= -1.87 (180deg=-3.96!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.724) USER MOD Single : A 119 LYS NZ :NH3+ -158:sc=-0.00929 (180deg=-0.589) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 11 0.587 23.050 4.019 1.00 0.00 N ATOM 109 CA TRP A 11 0.283 21.681 3.621 1.00 0.00 C ATOM 110 C TRP A 11 1.094 20.683 4.440 1.00 0.00 C ATOM 111 O TRP A 11 2.325 20.694 4.410 1.00 0.00 O ATOM 112 CB TRP A 11 0.567 21.486 2.131 1.00 0.00 C ATOM 113 CG TRP A 11 -0.306 20.451 1.490 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.183 19.614 2.119 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.386 20.141 0.094 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.803 18.804 1.199 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.332 19.108 -0.051 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.249 20.638 -1.048 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.656 18.563 -1.290 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.074 20.096 -2.278 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.019 19.068 -2.391 1.00 0.00 C ATOM 0 HA TRP A 11 -0.776 21.502 3.809 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.430 22.436 1.615 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.611 21.201 2.002 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.363 19.592 3.184 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.501 18.091 1.412 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.978 21.431 -0.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.384 17.770 -1.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.411 20.472 -3.167 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.249 18.666 -3.367 1.00 0.00 H new ATOM 132 N VAL A 12 0.397 19.820 5.173 1.00 0.00 N ATOM 133 CA VAL A 12 1.053 18.814 6.000 1.00 0.00 C ATOM 134 C VAL A 12 1.549 17.646 5.154 1.00 0.00 C ATOM 135 O VAL A 12 2.496 16.952 5.529 1.00 0.00 O ATOM 136 CB VAL A 12 0.105 18.278 7.089 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.084 17.568 6.461 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.852 17.350 8.035 1.00 0.00 C ATOM 0 H VAL A 12 -0.622 19.798 5.211 1.00 0.00 H new ATOM 0 HA VAL A 12 1.904 19.301 6.477 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.271 19.123 7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.742 17.196 7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.632 18.266 5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.731 16.732 5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.167 16.980 8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.258 16.509 7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.667 17.895 8.512 1.00 0.00 H new ATOM 148 N LEU A 13 0.905 17.434 4.012 1.00 0.00 N ATOM 149 CA LEU A 13 1.281 16.349 3.112 1.00 0.00 C ATOM 150 C LEU A 13 2.788 16.334 2.878 1.00 0.00 C ATOM 151 O LEU A 13 3.477 15.359 3.178 1.00 0.00 O ATOM 152 CB LEU A 13 0.547 16.491 1.777 1.00 0.00 C ATOM 153 CG LEU A 13 1.309 16.018 0.539 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.403 14.501 0.516 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.640 16.532 -0.728 1.00 0.00 C ATOM 0 H LEU A 13 0.120 17.999 3.687 1.00 0.00 H new ATOM 0 HA LEU A 13 0.995 15.406 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.388 15.934 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.285 17.540 1.639 1.00 0.00 H new ATOM 0 HG LEU A 13 2.320 16.423 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.949 14.184 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.928 14.155 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.400 14.075 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.196 16.186 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.382 16.157 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.627 17.622 -0.716 1.00 0.00 H new ATOM 167 N PRO A 14 3.313 17.440 2.330 1.00 0.00 N ATOM 168 CA PRO A 14 4.745 17.579 2.046 1.00 0.00 C ATOM 169 C PRO A 14 5.579 17.693 3.318 1.00 0.00 C ATOM 170 O PRO A 14 6.806 17.604 3.276 1.00 0.00 O ATOM 171 CB PRO A 14 4.822 18.876 1.238 1.00 0.00 C ATOM 172 CG PRO A 14 3.622 19.654 1.656 1.00 0.00 C ATOM 173 CD PRO A 14 2.551 18.640 1.947 1.00 0.00 C ATOM 0 HA PRO A 14 5.143 16.710 1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.741 19.421 1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.811 18.676 0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.837 20.259 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.307 20.339 0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.892 18.971 2.750 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.924 18.456 1.075 1.00 0.00 H new ATOM 181 N SER A 15 4.906 17.890 4.446 1.00 0.00 N ATOM 182 CA SER A 15 5.586 18.020 5.730 1.00 0.00 C ATOM 183 C SER A 15 5.909 16.648 6.315 1.00 0.00 C ATOM 184 O SER A 15 7.010 16.419 6.814 1.00 0.00 O ATOM 185 CB SER A 15 4.723 18.815 6.711 1.00 0.00 C ATOM 186 OG SER A 15 4.712 20.193 6.380 1.00 0.00 O ATOM 0 H SER A 15 3.890 17.963 4.498 1.00 0.00 H new ATOM 0 HA SER A 15 6.521 18.555 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.704 18.427 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.104 18.684 7.724 1.00 0.00 H new ATOM 0 HG SER A 15 3.983 20.372 5.750 1.00 0.00 H new ATOM 192 N GLU A 16 4.939 15.741 6.248 1.00 0.00 N ATOM 193 CA GLU A 16 5.120 14.392 6.772 1.00 0.00 C ATOM 194 C GLU A 16 6.052 13.581 5.877 1.00 0.00 C ATOM 195 O GLU A 16 6.939 12.878 6.360 1.00 0.00 O ATOM 196 CB GLU A 16 3.769 13.684 6.895 1.00 0.00 C ATOM 197 CG GLU A 16 3.882 12.219 7.280 1.00 0.00 C ATOM 198 CD GLU A 16 2.569 11.474 7.136 1.00 0.00 C ATOM 199 OE1 GLU A 16 1.673 11.981 6.430 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.438 10.384 7.731 1.00 0.00 O ATOM 0 H GLU A 16 4.022 15.915 5.837 1.00 0.00 H new ATOM 0 HA GLU A 16 5.572 14.471 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.164 14.201 7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.240 13.761 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.637 11.741 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.227 12.144 8.311 1.00 0.00 H new ATOM 207 N VAL A 17 5.842 13.683 4.568 1.00 0.00 N ATOM 208 CA VAL A 17 6.663 12.959 3.604 1.00 0.00 C ATOM 209 C VAL A 17 8.139 13.030 3.977 1.00 0.00 C ATOM 210 O VAL A 17 8.838 12.018 3.975 1.00 0.00 O ATOM 211 CB VAL A 17 6.477 13.515 2.180 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.362 12.768 1.195 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.016 13.435 1.763 1.00 0.00 C ATOM 0 H VAL A 17 5.111 14.259 4.151 1.00 0.00 H new ATOM 0 HA VAL A 17 6.336 11.920 3.626 1.00 0.00 H new ATOM 0 HB VAL A 17 6.775 14.563 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.217 13.175 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.406 12.882 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.098 11.710 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.903 13.832 0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.688 12.396 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.408 14.020 2.453 1.00 0.00 H new ATOM 223 N GLU A 18 8.606 14.233 4.296 1.00 0.00 N ATOM 224 CA GLU A 18 10.001 14.435 4.670 1.00 0.00 C ATOM 225 C GLU A 18 10.422 13.448 5.756 1.00 0.00 C ATOM 226 O GLU A 18 11.549 12.954 5.758 1.00 0.00 O ATOM 227 CB GLU A 18 10.218 15.869 5.158 1.00 0.00 C ATOM 228 CG GLU A 18 9.902 16.923 4.110 1.00 0.00 C ATOM 229 CD GLU A 18 10.414 18.298 4.492 1.00 0.00 C ATOM 230 OE1 GLU A 18 9.838 18.909 5.417 1.00 0.00 O ATOM 231 OE2 GLU A 18 11.390 18.764 3.868 1.00 0.00 O ATOM 0 H GLU A 18 8.040 15.081 4.303 1.00 0.00 H new ATOM 0 HA GLU A 18 10.616 14.261 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.595 16.043 6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.255 15.983 5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.343 16.627 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.823 16.970 3.961 1.00 0.00 H new ATOM 238 N VAL A 19 9.506 13.166 6.677 1.00 0.00 N ATOM 239 CA VAL A 19 9.781 12.238 7.768 1.00 0.00 C ATOM 240 C VAL A 19 9.691 10.792 7.295 1.00 0.00 C ATOM 241 O VAL A 19 10.558 9.972 7.600 1.00 0.00 O ATOM 242 CB VAL A 19 8.803 12.445 8.940 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.060 11.422 10.037 1.00 0.00 C ATOM 244 CG2 VAL A 19 8.915 13.861 9.483 1.00 0.00 C ATOM 0 H VAL A 19 8.568 13.566 6.690 1.00 0.00 H new ATOM 0 HA VAL A 19 10.795 12.443 8.110 1.00 0.00 H new ATOM 0 HB VAL A 19 7.787 12.301 8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.360 11.584 10.857 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.924 10.417 9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.080 11.531 10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.217 13.990 10.310 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.932 14.036 9.835 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.677 14.573 8.693 1.00 0.00 H new ATOM 254 N LEU A 20 8.638 10.484 6.546 1.00 0.00 N ATOM 255 CA LEU A 20 8.434 9.135 6.029 1.00 0.00 C ATOM 256 C LEU A 20 9.657 8.660 5.251 1.00 0.00 C ATOM 257 O LEU A 20 10.256 7.638 5.583 1.00 0.00 O ATOM 258 CB LEU A 20 7.197 9.094 5.131 1.00 0.00 C ATOM 259 CG LEU A 20 5.847 9.175 5.845 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.735 9.477 4.851 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.559 7.881 6.592 1.00 0.00 C ATOM 0 H LEU A 20 7.912 11.150 6.283 1.00 0.00 H new ATOM 0 HA LEU A 20 8.283 8.466 6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.260 9.919 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.224 8.172 4.551 1.00 0.00 H new ATOM 0 HG LEU A 20 5.890 9.988 6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.782 9.531 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.934 10.430 4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.692 8.686 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.594 7.957 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.536 7.051 5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.340 7.707 7.332 1.00 0.00 H new ATOM 273 N GLU A 21 10.022 9.411 4.216 1.00 0.00 N ATOM 274 CA GLU A 21 11.175 9.066 3.393 1.00 0.00 C ATOM 275 C GLU A 21 12.338 8.587 4.257 1.00 0.00 C ATOM 276 O GLU A 21 12.957 7.562 3.972 1.00 0.00 O ATOM 277 CB GLU A 21 11.610 10.271 2.555 1.00 0.00 C ATOM 278 CG GLU A 21 10.863 10.398 1.238 1.00 0.00 C ATOM 279 CD GLU A 21 11.540 9.647 0.108 1.00 0.00 C ATOM 280 OE1 GLU A 21 11.562 8.399 0.156 1.00 0.00 O ATOM 281 OE2 GLU A 21 12.048 10.306 -0.822 1.00 0.00 O ATOM 0 H GLU A 21 9.537 10.261 3.928 1.00 0.00 H new ATOM 0 HA GLU A 21 10.883 8.255 2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.461 11.180 3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.678 10.195 2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.848 10.021 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.781 11.452 0.971 1.00 0.00 H new ATOM 288 N SER A 22 12.629 9.338 5.315 1.00 0.00 N ATOM 289 CA SER A 22 13.720 8.993 6.219 1.00 0.00 C ATOM 290 C SER A 22 13.650 7.523 6.619 1.00 0.00 C ATOM 291 O SER A 22 14.667 6.830 6.658 1.00 0.00 O ATOM 292 CB SER A 22 13.674 9.876 7.468 1.00 0.00 C ATOM 293 OG SER A 22 14.956 9.989 8.060 1.00 0.00 O ATOM 0 H SER A 22 12.125 10.188 5.567 1.00 0.00 H new ATOM 0 HA SER A 22 14.661 9.165 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.304 10.866 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.973 9.455 8.189 1.00 0.00 H new ATOM 0 HG SER A 22 14.900 10.559 8.855 1.00 0.00 H new ATOM 299 N ILE A 23 12.443 7.054 6.916 1.00 0.00 N ATOM 300 CA ILE A 23 12.239 5.666 7.313 1.00 0.00 C ATOM 301 C ILE A 23 12.092 4.762 6.093 1.00 0.00 C ATOM 302 O ILE A 23 12.834 3.793 5.933 1.00 0.00 O ATOM 303 CB ILE A 23 10.994 5.512 8.205 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.135 6.367 9.466 1.00 0.00 C ATOM 305 CG2 ILE A 23 10.781 4.051 8.571 1.00 0.00 C ATOM 306 CD1 ILE A 23 9.814 6.687 10.130 1.00 0.00 C ATOM 0 H ILE A 23 11.591 7.615 6.889 1.00 0.00 H new ATOM 0 HA ILE A 23 13.120 5.367 7.880 1.00 0.00 H new ATOM 0 HB ILE A 23 10.122 5.857 7.649 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.774 5.846 10.179 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.638 7.299 9.209 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.897 3.959 9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.641 3.465 7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.652 3.680 9.111 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.991 7.296 11.017 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.180 7.236 9.434 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.318 5.760 10.419 1.00 0.00 H new ATOM 318 N TYR A 24 11.131 5.087 5.236 1.00 0.00 N ATOM 319 CA TYR A 24 10.885 4.304 4.030 1.00 0.00 C ATOM 320 C TYR A 24 11.624 4.898 2.835 1.00 0.00 C ATOM 321 O TYR A 24 11.070 5.011 1.741 1.00 0.00 O ATOM 322 CB TYR A 24 9.385 4.240 3.736 1.00 0.00 C ATOM 323 CG TYR A 24 8.539 3.975 4.960 1.00 0.00 C ATOM 324 CD1 TYR A 24 8.656 2.784 5.666 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.622 4.916 5.412 1.00 0.00 C ATOM 326 CE1 TYR A 24 7.884 2.538 6.785 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.847 4.679 6.530 1.00 0.00 C ATOM 328 CZ TYR A 24 6.981 3.488 7.213 1.00 0.00 C ATOM 329 OH TYR A 24 6.211 3.248 8.328 1.00 0.00 O ATOM 0 H TYR A 24 10.509 5.887 5.353 1.00 0.00 H new ATOM 0 HA TYR A 24 11.259 3.294 4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.071 5.181 3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.201 3.457 3.001 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.363 2.038 5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.513 5.849 4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.987 1.606 7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.140 5.422 6.868 1.00 0.00 H new ATOM 0 HH TYR A 24 5.408 2.749 8.070 1.00 0.00 H new ATOM 339 N LEU A 25 12.879 5.275 3.052 1.00 0.00 N ATOM 340 CA LEU A 25 13.697 5.857 1.994 1.00 0.00 C ATOM 341 C LEU A 25 13.392 5.205 0.649 1.00 0.00 C ATOM 342 O LEU A 25 12.935 5.867 -0.283 1.00 0.00 O ATOM 343 CB LEU A 25 15.183 5.698 2.325 1.00 0.00 C ATOM 344 CG LEU A 25 15.746 6.668 3.364 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.140 6.238 3.795 1.00 0.00 C ATOM 346 CD2 LEU A 25 15.769 8.086 2.813 1.00 0.00 C ATOM 0 H LEU A 25 13.352 5.188 3.951 1.00 0.00 H new ATOM 0 HA LEU A 25 13.457 6.918 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.349 4.681 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.754 5.812 1.404 1.00 0.00 H new ATOM 0 HG LEU A 25 15.096 6.651 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.525 6.940 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.094 5.240 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.801 6.225 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.173 8.763 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.396 8.120 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.755 8.393 2.556 1.00 0.00 H new ATOM 358 N ASP A 26 13.645 3.904 0.557 1.00 0.00 N ATOM 359 CA ASP A 26 13.394 3.162 -0.673 1.00 0.00 C ATOM 360 C ASP A 26 12.060 2.426 -0.601 1.00 0.00 C ATOM 361 O ASP A 26 11.254 2.492 -1.528 1.00 0.00 O ATOM 362 CB ASP A 26 14.526 2.167 -0.933 1.00 0.00 C ATOM 363 CG ASP A 26 14.702 1.863 -2.408 1.00 0.00 C ATOM 364 OD1 ASP A 26 13.744 1.357 -3.028 1.00 0.00 O ATOM 365 OD2 ASP A 26 15.798 2.132 -2.942 1.00 0.00 O ATOM 0 H ASP A 26 14.024 3.342 1.319 1.00 0.00 H new ATOM 0 HA ASP A 26 13.351 3.875 -1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.458 2.568 -0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.322 1.241 -0.396 1.00 0.00 H new ATOM 370 N GLU A 27 11.835 1.726 0.507 1.00 0.00 N ATOM 371 CA GLU A 27 10.599 0.976 0.698 1.00 0.00 C ATOM 372 C GLU A 27 9.417 1.706 0.067 1.00 0.00 C ATOM 373 O GLU A 27 8.556 1.090 -0.562 1.00 0.00 O ATOM 374 CB GLU A 27 10.338 0.752 2.189 1.00 0.00 C ATOM 375 CG GLU A 27 11.464 0.021 2.901 1.00 0.00 C ATOM 376 CD GLU A 27 11.271 -0.025 4.404 1.00 0.00 C ATOM 377 OE1 GLU A 27 11.538 0.998 5.069 1.00 0.00 O ATOM 378 OE2 GLU A 27 10.852 -1.084 4.916 1.00 0.00 O ATOM 0 H GLU A 27 12.492 1.663 1.285 1.00 0.00 H new ATOM 0 HA GLU A 27 10.711 0.009 0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.181 1.717 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.416 0.183 2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.532 -0.996 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.411 0.512 2.675 1.00 0.00 H new ATOM 385 N LEU A 28 9.382 3.023 0.241 1.00 0.00 N ATOM 386 CA LEU A 28 8.305 3.838 -0.310 1.00 0.00 C ATOM 387 C LEU A 28 8.862 4.952 -1.192 1.00 0.00 C ATOM 388 O LEU A 28 9.917 5.516 -0.902 1.00 0.00 O ATOM 389 CB LEU A 28 7.464 4.438 0.818 1.00 0.00 C ATOM 390 CG LEU A 28 6.506 5.560 0.418 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.274 5.554 1.309 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.208 6.909 0.483 1.00 0.00 C ATOM 0 H LEU A 28 10.086 3.549 0.759 1.00 0.00 H new ATOM 0 HA LEU A 28 7.673 3.195 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.883 3.638 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.139 4.820 1.584 1.00 0.00 H new ATOM 0 HG LEU A 28 6.186 5.389 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.604 6.360 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.759 4.598 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.575 5.700 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.511 7.696 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.558 7.088 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.058 6.910 -0.199 1.00 0.00 H new ATOM 404 N GLN A 29 8.145 5.263 -2.267 1.00 0.00 N ATOM 405 CA GLN A 29 8.568 6.310 -3.189 1.00 0.00 C ATOM 406 C GLN A 29 7.553 7.448 -3.223 1.00 0.00 C ATOM 407 O GLN A 29 6.361 7.237 -3.001 1.00 0.00 O ATOM 408 CB GLN A 29 8.755 5.736 -4.594 1.00 0.00 C ATOM 409 CG GLN A 29 10.087 5.030 -4.790 1.00 0.00 C ATOM 410 CD GLN A 29 11.272 5.958 -4.611 1.00 0.00 C ATOM 411 OE1 GLN A 29 11.714 6.610 -5.557 1.00 0.00 O ATOM 412 NE2 GLN A 29 11.795 6.022 -3.392 1.00 0.00 N ATOM 0 H GLN A 29 7.269 4.805 -2.521 1.00 0.00 H new ATOM 0 HA GLN A 29 9.520 6.707 -2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.947 5.034 -4.801 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.670 6.543 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.165 4.206 -4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.119 4.594 -5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.397 5.464 -2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.595 6.629 -3.211 1.00 0.00 H new ATOM 421 N VAL A 30 8.034 8.656 -3.501 1.00 0.00 N ATOM 422 CA VAL A 30 7.168 9.827 -3.565 1.00 0.00 C ATOM 423 C VAL A 30 7.449 10.650 -4.817 1.00 0.00 C ATOM 424 O VAL A 30 8.599 10.798 -5.231 1.00 0.00 O ATOM 425 CB VAL A 30 7.345 10.723 -2.325 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.339 11.864 -2.342 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.212 9.902 -1.051 1.00 0.00 C ATOM 0 H VAL A 30 9.018 8.849 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 30 6.142 9.461 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 30 8.346 11.153 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.480 12.486 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.488 12.467 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.328 11.457 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.340 10.551 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.225 9.441 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.976 9.125 -1.038 1.00 0.00 H new ATOM 437 N ILE A 31 6.390 11.185 -5.416 1.00 0.00 N ATOM 438 CA ILE A 31 6.522 11.995 -6.621 1.00 0.00 C ATOM 439 C ILE A 31 6.331 13.475 -6.311 1.00 0.00 C ATOM 440 O ILE A 31 5.210 13.984 -6.324 1.00 0.00 O ATOM 441 CB ILE A 31 5.506 11.571 -7.698 1.00 0.00 C ATOM 442 CG1 ILE A 31 5.689 10.094 -8.050 1.00 0.00 C ATOM 443 CG2 ILE A 31 5.657 12.439 -8.938 1.00 0.00 C ATOM 444 CD1 ILE A 31 7.046 9.776 -8.638 1.00 0.00 C ATOM 0 H ILE A 31 5.431 11.072 -5.087 1.00 0.00 H new ATOM 0 HA ILE A 31 7.530 11.834 -7.002 1.00 0.00 H new ATOM 0 HB ILE A 31 4.500 11.708 -7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.542 9.494 -7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.916 9.800 -8.760 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.932 12.128 -9.690 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.482 13.482 -8.675 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.665 12.330 -9.338 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.104 8.711 -8.863 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.189 10.349 -9.554 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.824 10.038 -7.921 1.00 0.00 H new ATOM 569 N TRP A 40 -0.534 14.534 -5.634 1.00 0.00 N ATOM 570 CA TRP A 40 0.750 13.856 -5.494 1.00 0.00 C ATOM 571 C TRP A 40 0.613 12.365 -5.782 1.00 0.00 C ATOM 572 O TRP A 40 -0.476 11.881 -6.087 1.00 0.00 O ATOM 573 CB TRP A 40 1.311 14.068 -4.087 1.00 0.00 C ATOM 574 CG TRP A 40 1.873 15.440 -3.872 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.363 16.618 -4.340 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.054 15.777 -3.136 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.157 17.666 -3.939 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.200 17.176 -3.198 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.002 15.032 -2.428 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.255 17.843 -2.581 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.049 15.695 -1.817 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.168 17.089 -1.895 1.00 0.00 C ATOM 0 HA TRP A 40 1.440 14.284 -6.221 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.521 13.889 -3.358 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.091 13.330 -3.900 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.468 16.712 -4.937 1.00 0.00 H new ATOM 0 HE1 TRP A 40 1.996 18.649 -4.158 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.917 13.957 -2.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.349 18.917 -2.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.788 15.129 -1.270 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.996 17.578 -1.404 1.00 0.00 H new ATOM 593 N GLU A 41 1.724 11.643 -5.682 1.00 0.00 N ATOM 594 CA GLU A 41 1.726 10.207 -5.932 1.00 0.00 C ATOM 595 C GLU A 41 2.771 9.505 -5.069 1.00 0.00 C ATOM 596 O GLU A 41 3.923 9.933 -5.000 1.00 0.00 O ATOM 597 CB GLU A 41 1.998 9.925 -7.411 1.00 0.00 C ATOM 598 CG GLU A 41 1.345 8.650 -7.918 1.00 0.00 C ATOM 599 CD GLU A 41 1.172 8.642 -9.424 1.00 0.00 C ATOM 600 OE1 GLU A 41 2.052 9.184 -10.126 1.00 0.00 O ATOM 601 OE2 GLU A 41 0.157 8.093 -9.901 1.00 0.00 O ATOM 0 H GLU A 41 2.634 12.029 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 41 0.742 9.818 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.641 10.767 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.075 9.859 -7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.950 7.793 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.371 8.532 -7.444 1.00 0.00 H new ATOM 608 N ILE A 42 2.359 8.426 -4.412 1.00 0.00 N ATOM 609 CA ILE A 42 3.259 7.666 -3.553 1.00 0.00 C ATOM 610 C ILE A 42 3.090 6.166 -3.773 1.00 0.00 C ATOM 611 O ILE A 42 1.979 5.680 -3.988 1.00 0.00 O ATOM 612 CB ILE A 42 3.021 7.985 -2.065 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.225 9.479 -1.803 1.00 0.00 C ATOM 614 CG2 ILE A 42 3.951 7.157 -1.191 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.525 9.975 -0.558 1.00 0.00 C ATOM 0 H ILE A 42 1.409 8.059 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 42 4.274 7.959 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 42 1.992 7.728 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.292 9.682 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.863 10.043 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.771 7.393 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.763 6.097 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.987 7.387 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.713 11.042 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.453 9.804 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.904 9.437 0.311 1.00 0.00 H new ATOM 627 N TYR A 43 4.199 5.437 -3.714 1.00 0.00 N ATOM 628 CA TYR A 43 4.175 3.992 -3.907 1.00 0.00 C ATOM 629 C TYR A 43 4.923 3.280 -2.784 1.00 0.00 C ATOM 630 O TYR A 43 5.793 3.863 -2.136 1.00 0.00 O ATOM 631 CB TYR A 43 4.792 3.626 -5.258 1.00 0.00 C ATOM 632 CG TYR A 43 4.413 4.575 -6.373 1.00 0.00 C ATOM 633 CD1 TYR A 43 3.088 4.727 -6.762 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.380 5.318 -7.039 1.00 0.00 C ATOM 635 CE1 TYR A 43 2.737 5.592 -7.781 1.00 0.00 C ATOM 636 CE2 TYR A 43 5.039 6.186 -8.057 1.00 0.00 C ATOM 637 CZ TYR A 43 3.716 6.319 -8.425 1.00 0.00 C ATOM 638 OH TYR A 43 3.372 7.182 -9.440 1.00 0.00 O ATOM 0 H TYR A 43 5.126 5.823 -3.534 1.00 0.00 H new ATOM 0 HA TYR A 43 3.135 3.666 -3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.877 3.609 -5.160 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.481 2.617 -5.529 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.319 4.159 -6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.417 5.215 -6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.702 5.698 -8.071 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.803 6.758 -8.562 1.00 0.00 H new ATOM 0 HH TYR A 43 4.179 7.617 -9.787 1.00 0.00 H new ATOM 648 N ILE A 44 4.579 2.017 -2.561 1.00 0.00 N ATOM 649 CA ILE A 44 5.218 1.224 -1.518 1.00 0.00 C ATOM 650 C ILE A 44 4.947 -0.264 -1.715 1.00 0.00 C ATOM 651 O ILE A 44 3.945 -0.650 -2.318 1.00 0.00 O ATOM 652 CB ILE A 44 4.735 1.641 -0.117 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.552 0.928 0.962 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.253 1.336 0.045 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.363 1.509 2.346 1.00 0.00 C ATOM 0 H ILE A 44 3.861 1.520 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 44 6.290 1.409 -1.593 1.00 0.00 H new ATOM 0 HB ILE A 44 4.880 2.715 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.275 -0.126 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.608 0.976 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.926 1.636 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.684 1.886 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.085 0.267 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.972 0.954 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.667 2.556 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.313 1.436 2.631 1.00 0.00 H new ATOM 667 N THR A 45 5.846 -1.097 -1.200 1.00 0.00 N ATOM 668 CA THR A 45 5.704 -2.543 -1.318 1.00 0.00 C ATOM 669 C THR A 45 5.530 -3.191 0.051 1.00 0.00 C ATOM 670 O THR A 45 6.427 -3.138 0.893 1.00 0.00 O ATOM 671 CB THR A 45 6.923 -3.171 -2.020 1.00 0.00 C ATOM 672 OG1 THR A 45 7.156 -2.519 -3.273 1.00 0.00 O ATOM 673 CG2 THR A 45 6.707 -4.660 -2.249 1.00 0.00 C ATOM 0 H THR A 45 6.680 -0.795 -0.697 1.00 0.00 H new ATOM 0 HA THR A 45 4.814 -2.726 -1.919 1.00 0.00 H new ATOM 0 HB THR A 45 7.793 -3.041 -1.376 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.933 -2.923 -3.712 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.580 -5.082 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.559 -5.158 -1.291 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.827 -4.808 -2.875 1.00 0.00 H new ATOM 681 N LEU A 46 4.372 -3.805 0.266 1.00 0.00 N ATOM 682 CA LEU A 46 4.080 -4.466 1.533 1.00 0.00 C ATOM 683 C LEU A 46 4.165 -5.982 1.389 1.00 0.00 C ATOM 684 O LEU A 46 3.925 -6.528 0.312 1.00 0.00 O ATOM 685 CB LEU A 46 2.690 -4.066 2.031 1.00 0.00 C ATOM 686 CG LEU A 46 2.596 -2.721 2.752 1.00 0.00 C ATOM 687 CD1 LEU A 46 1.171 -2.463 3.217 1.00 0.00 C ATOM 688 CD2 LEU A 46 3.559 -2.678 3.929 1.00 0.00 C ATOM 0 H LEU A 46 3.620 -3.859 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 46 4.826 -4.147 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.012 -4.046 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.330 -4.843 2.706 1.00 0.00 H new ATOM 0 HG LEU A 46 2.876 -1.935 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.123 -1.501 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.504 -2.449 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.863 -3.253 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.478 -1.713 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.311 -3.474 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.579 -2.816 3.570 1.00 0.00 H new ATOM 700 N HIS A 47 4.506 -6.657 2.482 1.00 0.00 N ATOM 701 CA HIS A 47 4.619 -8.111 2.479 1.00 0.00 C ATOM 702 C HIS A 47 4.145 -8.697 3.805 1.00 0.00 C ATOM 703 O HIS A 47 4.148 -8.033 4.842 1.00 0.00 O ATOM 704 CB HIS A 47 6.065 -8.531 2.211 1.00 0.00 C ATOM 705 CG HIS A 47 7.069 -7.769 3.020 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.629 -8.259 4.181 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.615 -6.545 2.829 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.474 -7.370 4.670 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.485 -6.320 3.868 1.00 0.00 N ATOM 0 H HIS A 47 4.709 -6.220 3.381 1.00 0.00 H new ATOM 0 HA HIS A 47 3.982 -8.498 1.683 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.171 -9.595 2.424 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.284 -8.394 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.406 -5.871 2.012 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.057 -7.482 5.572 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.048 -5.479 3.999 1.00 0.00 H new ATOM 871 N VAL A 59 4.156 -13.225 -2.129 1.00 0.00 N ATOM 872 CA VAL A 59 2.966 -12.388 -2.228 1.00 0.00 C ATOM 873 C VAL A 59 3.274 -10.946 -1.840 1.00 0.00 C ATOM 874 O VAL A 59 3.500 -10.643 -0.667 1.00 0.00 O ATOM 875 CB VAL A 59 1.831 -12.918 -1.332 1.00 0.00 C ATOM 876 CG1 VAL A 59 2.329 -13.136 0.089 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.647 -11.962 -1.350 1.00 0.00 C ATOM 0 HA VAL A 59 2.643 -12.420 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 59 1.499 -13.878 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.513 -13.511 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.142 -13.862 0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.689 -12.192 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.146 -12.352 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.962 -10.986 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.275 -11.862 -2.370 1.00 0.00 H new ATOM 887 N CYS A 60 3.280 -10.061 -2.830 1.00 0.00 N ATOM 888 CA CYS A 60 3.561 -8.650 -2.592 1.00 0.00 C ATOM 889 C CYS A 60 2.666 -7.765 -3.455 1.00 0.00 C ATOM 890 O CYS A 60 2.345 -8.110 -4.592 1.00 0.00 O ATOM 891 CB CYS A 60 5.031 -8.345 -2.882 1.00 0.00 C ATOM 892 SG CYS A 60 5.469 -8.415 -4.634 1.00 0.00 S ATOM 0 H CYS A 60 3.094 -10.295 -3.805 1.00 0.00 H new ATOM 0 HA CYS A 60 3.353 -8.435 -1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.267 -7.352 -2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.653 -9.054 -2.335 1.00 0.00 H new ATOM 0 HG CYS A 60 4.391 -8.323 -5.355 1.00 0.00 H new ATOM 898 N PHE A 61 2.265 -6.624 -2.905 1.00 0.00 N ATOM 899 CA PHE A 61 1.405 -5.690 -3.623 1.00 0.00 C ATOM 900 C PHE A 61 1.907 -4.258 -3.466 1.00 0.00 C ATOM 901 O PHE A 61 2.398 -3.872 -2.404 1.00 0.00 O ATOM 902 CB PHE A 61 -0.035 -5.797 -3.115 1.00 0.00 C ATOM 903 CG PHE A 61 -0.285 -5.021 -1.854 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.527 -3.657 -1.900 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.278 -5.655 -0.622 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.756 -2.941 -0.740 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.507 -4.944 0.541 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.748 -3.585 0.482 1.00 0.00 C ATOM 0 H PHE A 61 2.522 -6.324 -1.965 1.00 0.00 H new ATOM 0 HA PHE A 61 1.430 -5.951 -4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.713 -5.442 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.273 -6.846 -2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.537 -3.148 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.091 -6.717 -0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.941 -1.878 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.498 -5.450 1.495 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.930 -3.028 1.389 1.00 0.00 H new ATOM 918 N THR A 62 1.780 -3.472 -4.531 1.00 0.00 N ATOM 919 CA THR A 62 2.221 -2.083 -4.513 1.00 0.00 C ATOM 920 C THR A 62 1.086 -1.151 -4.106 1.00 0.00 C ATOM 921 O THR A 62 0.090 -1.020 -4.819 1.00 0.00 O ATOM 922 CB THR A 62 2.760 -1.648 -5.889 1.00 0.00 C ATOM 923 OG1 THR A 62 3.805 -2.532 -6.308 1.00 0.00 O ATOM 924 CG2 THR A 62 3.285 -0.221 -5.838 1.00 0.00 C ATOM 0 H THR A 62 1.375 -3.774 -5.417 1.00 0.00 H new ATOM 0 HA THR A 62 3.023 -2.015 -3.778 1.00 0.00 H new ATOM 0 HB THR A 62 1.940 -1.691 -6.606 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.141 -2.249 -7.184 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.660 0.064 -6.821 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.479 0.453 -5.548 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.092 -0.156 -5.109 1.00 0.00 H new ATOM 932 N LEU A 63 1.242 -0.503 -2.957 1.00 0.00 N ATOM 933 CA LEU A 63 0.230 0.419 -2.455 1.00 0.00 C ATOM 934 C LEU A 63 0.432 1.816 -3.032 1.00 0.00 C ATOM 935 O LEU A 63 1.407 2.497 -2.712 1.00 0.00 O ATOM 936 CB LEU A 63 0.275 0.475 -0.927 1.00 0.00 C ATOM 937 CG LEU A 63 -1.056 0.746 -0.225 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.990 0.311 1.231 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.422 2.220 -0.327 1.00 0.00 C ATOM 0 H LEU A 63 2.060 -0.599 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.747 0.053 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.670 -0.473 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.982 1.250 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.832 0.164 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.946 0.512 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.774 -0.756 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.202 0.865 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.372 2.395 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.645 2.821 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.512 2.501 -1.376 1.00 0.00 H new ATOM 951 N VAL A 64 -0.497 2.239 -3.884 1.00 0.00 N ATOM 952 CA VAL A 64 -0.423 3.557 -4.503 1.00 0.00 C ATOM 953 C VAL A 64 -1.309 4.559 -3.772 1.00 0.00 C ATOM 954 O VAL A 64 -2.537 4.478 -3.830 1.00 0.00 O ATOM 955 CB VAL A 64 -0.842 3.505 -5.985 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.603 4.849 -6.655 1.00 0.00 C ATOM 957 CG2 VAL A 64 -0.092 2.398 -6.711 1.00 0.00 C ATOM 0 H VAL A 64 -1.309 1.688 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 64 0.616 3.879 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.908 3.285 -6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.905 4.793 -7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.188 5.617 -6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.456 5.102 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.400 2.375 -7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.980 2.586 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.318 1.439 -6.245 1.00 0.00 H new ATOM 967 N LEU A 65 -0.680 5.504 -3.083 1.00 0.00 N ATOM 968 CA LEU A 65 -1.411 6.524 -2.339 1.00 0.00 C ATOM 969 C LEU A 65 -1.513 7.816 -3.143 1.00 0.00 C ATOM 970 O LEU A 65 -0.507 8.468 -3.418 1.00 0.00 O ATOM 971 CB LEU A 65 -0.724 6.797 -1.000 1.00 0.00 C ATOM 972 CG LEU A 65 -1.000 5.788 0.115 1.00 0.00 C ATOM 973 CD1 LEU A 65 0.119 5.810 1.145 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.341 6.075 0.775 1.00 0.00 C ATOM 0 H LEU A 65 0.335 5.586 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.419 6.152 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.352 6.837 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.029 7.784 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.041 4.792 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.095 5.085 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.062 5.554 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.193 6.806 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.520 5.347 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.330 7.078 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.135 6.006 0.031 1.00 0.00 H new ATOM 986 N GLN A 66 -2.736 8.180 -3.515 1.00 0.00 N ATOM 987 CA GLN A 66 -2.970 9.395 -4.286 1.00 0.00 C ATOM 988 C GLN A 66 -3.515 10.508 -3.398 1.00 0.00 C ATOM 989 O GLN A 66 -4.720 10.589 -3.155 1.00 0.00 O ATOM 990 CB GLN A 66 -3.945 9.117 -5.432 1.00 0.00 C ATOM 991 CG GLN A 66 -3.719 9.998 -6.650 1.00 0.00 C ATOM 992 CD GLN A 66 -4.799 9.829 -7.701 1.00 0.00 C ATOM 993 OE1 GLN A 66 -5.979 10.063 -7.439 1.00 0.00 O ATOM 994 NE2 GLN A 66 -4.399 9.419 -8.899 1.00 0.00 N ATOM 0 H GLN A 66 -3.580 7.651 -3.295 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.016 9.721 -4.700 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.856 8.072 -5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.964 9.261 -5.074 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.682 11.041 -6.337 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.750 9.762 -7.089 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.410 9.237 -9.072 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.080 9.286 -9.646 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.621 11.363 -2.913 1.00 0.00 N ATOM 1004 CA VAL A 67 -3.012 12.472 -2.051 1.00 0.00 C ATOM 1005 C VAL A 67 -3.449 13.680 -2.873 1.00 0.00 C ATOM 1006 O VAL A 67 -2.644 14.338 -3.532 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.861 12.891 -1.118 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.297 14.030 -0.209 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.378 11.702 -0.301 1.00 0.00 C ATOM 0 H VAL A 67 -1.620 11.309 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.850 12.123 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.031 13.244 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.470 14.312 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.590 14.887 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.144 13.708 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.564 12.016 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.200 11.317 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.023 10.920 -0.972 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.757 13.978 -2.836 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.331 15.109 -3.572 1.00 0.00 C ATOM 1021 C PRO A 68 -4.907 16.454 -2.991 1.00 0.00 C ATOM 1022 O PRO A 68 -4.052 16.518 -2.108 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.840 14.908 -3.408 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.984 14.126 -2.148 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.774 13.236 -2.073 1.00 0.00 C ATOM 0 HA PRO A 68 -4.999 15.131 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.362 15.863 -3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.262 14.371 -4.257 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.037 14.787 -1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.901 13.538 -2.156 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.461 13.070 -1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.968 12.256 -2.509 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.510 17.526 -3.493 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.196 18.870 -3.023 1.00 0.00 C ATOM 1035 C ALA A 69 -5.858 19.149 -1.677 1.00 0.00 C ATOM 1036 O ALA A 69 -5.241 19.722 -0.780 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.630 19.904 -4.051 1.00 0.00 C ATOM 0 H ALA A 69 -6.219 17.490 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.116 18.938 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.389 20.903 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.107 19.725 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.705 19.826 -4.214 1.00 0.00 H new ATOM 1043 N GLU A 70 -7.116 18.740 -1.546 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.860 18.948 -0.309 1.00 0.00 C ATOM 1045 C GLU A 70 -7.056 18.472 0.897 1.00 0.00 C ATOM 1046 O GLU A 70 -6.929 19.184 1.893 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.201 18.213 -0.365 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.225 18.881 -1.267 1.00 0.00 C ATOM 1049 CD GLU A 70 -9.873 18.763 -2.737 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -9.350 17.702 -3.137 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -10.120 19.730 -3.487 1.00 0.00 O ATOM 0 H GLU A 70 -7.641 18.264 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.044 20.017 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.033 17.194 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.609 18.142 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.203 18.432 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.306 19.935 -1.000 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.516 17.262 0.800 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.727 16.688 1.883 1.00 0.00 C ATOM 1060 C TYR A 71 -5.008 17.779 2.671 1.00 0.00 C ATOM 1061 O TYR A 71 -4.501 18.752 2.112 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.710 15.690 1.328 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.818 15.081 2.387 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.902 15.860 3.083 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -3.892 13.728 2.691 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.085 15.309 4.050 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.080 13.168 3.658 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.178 13.962 4.335 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.366 13.409 5.299 1.00 0.00 O ATOM 0 H TYR A 71 -6.610 16.660 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.407 16.167 2.557 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.242 14.892 0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.089 16.192 0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.828 16.915 2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.596 13.103 2.162 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.377 15.929 4.580 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.151 12.114 3.883 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.159 14.084 5.979 1.00 0.00 H new ATOM 1079 N PRO A 72 -4.962 17.614 4.001 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.563 16.460 4.677 1.00 0.00 C ATOM 1081 C PRO A 72 -7.086 16.492 4.636 1.00 0.00 C ATOM 1082 O PRO A 72 -7.744 15.461 4.782 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.064 16.594 6.118 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.787 18.048 6.290 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.320 18.541 4.948 1.00 0.00 C ATOM 0 HA PRO A 72 -5.286 15.519 4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.813 16.247 6.830 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.167 15.998 6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.682 18.581 6.612 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.026 18.213 7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.625 19.572 4.770 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.234 18.512 4.865 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.643 17.683 4.435 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.091 17.849 4.373 1.00 0.00 C ATOM 1095 C HIS A 73 -9.753 16.619 3.759 1.00 0.00 C ATOM 1096 O HIS A 73 -10.810 16.181 4.212 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.449 19.094 3.562 1.00 0.00 C ATOM 1098 CG HIS A 73 -8.980 20.372 4.187 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -7.913 21.156 3.906 1.00 0.00 N flip ATOM 1100 CD2 HIS A 73 -9.634 20.980 5.237 1.00 0.00 C flip ATOM 1101 CE1 HIS A 73 -7.943 22.213 4.781 1.00 0.00 C flip ATOM 1102 NE2 HIS A 73 -8.991 22.084 5.574 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.114 18.546 4.312 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.462 17.969 5.391 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -9.015 19.006 2.566 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.531 19.137 3.436 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.216 20.992 3.179 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -10.532 20.611 5.710 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.226 23.020 4.815 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.125 16.069 2.725 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.655 14.891 2.048 1.00 0.00 C ATOM 1113 C GLU A 74 -8.706 13.705 2.197 1.00 0.00 C ATOM 1114 O GLU A 74 -7.511 13.878 2.433 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.888 15.189 0.565 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.871 14.239 -0.099 1.00 0.00 C ATOM 1117 CD GLU A 74 -12.257 14.313 0.512 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -12.790 15.435 0.641 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -12.808 13.248 0.859 1.00 0.00 O ATOM 0 H GLU A 74 -8.249 16.420 2.338 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.607 14.634 2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.256 16.210 0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.935 15.139 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.934 14.472 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.496 13.219 -0.018 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.249 12.500 2.058 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.453 11.284 2.176 1.00 0.00 C ATOM 1128 C VAL A 75 -7.883 10.867 0.825 1.00 0.00 C ATOM 1129 O VAL A 75 -8.535 10.982 -0.214 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.283 10.122 2.751 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -9.767 10.455 4.155 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.456 9.802 1.837 1.00 0.00 C ATOM 0 H VAL A 75 -10.237 12.340 1.863 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.634 11.508 2.860 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.647 9.239 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.352 9.622 4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.909 10.631 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.387 11.351 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.032 8.978 2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.094 10.680 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.083 9.518 0.853 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.637 10.370 0.836 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.952 9.924 -0.381 1.00 0.00 C ATOM 1144 C PRO A 76 -6.561 8.649 -0.955 1.00 0.00 C ATOM 1145 O PRO A 76 -7.006 7.775 -0.212 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.520 9.666 0.092 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.649 9.372 1.547 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.802 10.204 2.037 1.00 0.00 C ATOM 0 HA PRO A 76 -6.025 10.659 -1.182 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.071 8.829 -0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.883 10.533 -0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.834 8.311 1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.732 9.624 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.346 9.705 2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.467 11.164 2.429 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.577 8.551 -2.280 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.132 7.382 -2.953 1.00 0.00 C ATOM 1158 C GLN A 77 -6.183 6.193 -2.848 1.00 0.00 C ATOM 1159 O GLN A 77 -5.091 6.206 -3.415 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.412 7.699 -4.423 1.00 0.00 C ATOM 1161 CG GLN A 77 -7.994 6.527 -5.197 1.00 0.00 C ATOM 1162 CD GLN A 77 -8.449 6.916 -6.590 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -8.163 8.015 -7.065 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -9.163 6.014 -7.254 1.00 0.00 N ATOM 0 H GLN A 77 -6.212 9.266 -2.909 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.069 7.120 -2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.103 8.540 -4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.485 8.015 -4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.246 5.738 -5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.839 6.115 -4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.377 5.115 -6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.497 6.220 -8.195 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.608 5.166 -2.120 1.00 0.00 N ATOM 1174 CA ILE A 78 -5.797 3.968 -1.942 1.00 0.00 C ATOM 1175 C ILE A 78 -6.078 2.946 -3.038 1.00 0.00 C ATOM 1176 O ILE A 78 -7.229 2.589 -3.288 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.048 3.316 -0.570 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -5.641 4.270 0.555 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.288 2.003 -0.460 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -6.763 5.172 1.018 1.00 0.00 C ATOM 0 H ILE A 78 -7.510 5.140 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.755 4.282 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.113 3.105 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.281 3.687 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.808 4.885 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.476 1.555 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.623 1.322 -1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.220 2.190 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.402 5.821 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.108 5.782 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.589 4.565 1.389 1.00 0.00 H new ATOM 1192 N SER A 79 -5.018 2.476 -3.688 1.00 0.00 N ATOM 1193 CA SER A 79 -5.151 1.495 -4.759 1.00 0.00 C ATOM 1194 C SER A 79 -4.020 0.472 -4.702 1.00 0.00 C ATOM 1195 O SER A 79 -3.101 0.592 -3.891 1.00 0.00 O ATOM 1196 CB SER A 79 -5.155 2.192 -6.120 1.00 0.00 C ATOM 1197 OG SER A 79 -5.932 1.472 -7.060 1.00 0.00 O ATOM 0 H SER A 79 -4.058 2.759 -3.492 1.00 0.00 H new ATOM 0 HA SER A 79 -6.098 0.972 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.551 3.202 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.133 2.288 -6.486 1.00 0.00 H new ATOM 0 HG SER A 79 -5.920 1.940 -7.921 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.095 -0.533 -5.568 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.079 -1.576 -5.617 1.00 0.00 C ATOM 1205 C ILE A 80 -2.683 -1.890 -7.056 1.00 0.00 C ATOM 1206 O ILE A 80 -3.538 -2.010 -7.934 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.565 -2.869 -4.937 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -3.829 -2.621 -3.451 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.543 -3.981 -5.121 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.548 -3.762 -2.766 1.00 0.00 C ATOM 0 H ILE A 80 -4.849 -0.647 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.211 -1.196 -5.078 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.499 -3.180 -5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.879 -2.445 -2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.421 -1.712 -3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.901 -4.888 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.400 -4.172 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.595 -3.681 -4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.701 -3.517 -1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.513 -3.924 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.948 -4.669 -2.843 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.381 -2.023 -7.290 1.00 0.00 N ATOM 1223 CA ARG A 81 -0.872 -2.323 -8.623 1.00 0.00 C ATOM 1224 C ARG A 81 -0.130 -3.657 -8.633 1.00 0.00 C ATOM 1225 O ARG A 81 0.425 -4.078 -7.619 1.00 0.00 O ATOM 1226 CB ARG A 81 0.059 -1.207 -9.100 1.00 0.00 C ATOM 1227 CG ARG A 81 -0.673 0.053 -9.533 1.00 0.00 C ATOM 1228 CD ARG A 81 0.294 1.114 -10.036 1.00 0.00 C ATOM 1229 NE ARG A 81 0.587 0.956 -11.458 1.00 0.00 N ATOM 1230 CZ ARG A 81 1.554 0.174 -11.927 1.00 0.00 C ATOM 1231 NH1 ARG A 81 2.315 -0.518 -11.091 1.00 0.00 N ATOM 1232 NH2 ARG A 81 1.760 0.083 -13.235 1.00 0.00 N ATOM 0 H ARG A 81 -0.660 -1.928 -6.574 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.722 -2.393 -9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.753 -0.956 -8.298 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.656 -1.575 -9.934 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.387 -0.192 -10.319 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.245 0.449 -8.694 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.129 2.103 -9.861 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.222 1.059 -9.466 1.00 0.00 H new ATOM 0 HE ARG A 81 0.018 1.474 -12.128 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.159 -0.451 -10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.056 -1.117 -11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.176 0.614 -13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.502 -0.517 -13.594 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.127 -4.317 -9.787 1.00 0.00 N ATOM 1247 CA ASN A 82 0.545 -5.604 -9.929 1.00 0.00 C ATOM 1248 C ASN A 82 0.333 -6.468 -8.689 1.00 0.00 C ATOM 1249 O ASN A 82 1.280 -6.964 -8.079 1.00 0.00 O ATOM 1250 CB ASN A 82 2.041 -5.397 -10.171 1.00 0.00 C ATOM 1251 CG ASN A 82 2.783 -6.707 -10.354 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.176 -7.777 -10.400 1.00 0.00 O ATOM 1253 ND2 ASN A 82 4.105 -6.628 -10.460 1.00 0.00 N ATOM 0 H ASN A 82 -0.582 -3.982 -10.636 1.00 0.00 H new ATOM 0 HA ASN A 82 0.113 -6.119 -10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.181 -4.777 -11.056 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.471 -4.853 -9.330 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.658 -7.476 -10.585 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.567 -5.720 -10.416 1.00 0.00 H new ATOM 1260 N PRO A 83 -0.939 -6.654 -8.308 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.306 -7.459 -7.139 1.00 0.00 C ATOM 1262 C PRO A 83 -1.051 -8.947 -7.357 1.00 0.00 C ATOM 1263 O PRO A 83 -1.813 -9.621 -8.050 1.00 0.00 O ATOM 1264 CB PRO A 83 -2.804 -7.191 -6.979 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.269 -6.814 -8.343 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.118 -6.092 -8.988 1.00 0.00 C ATOM 0 HA PRO A 83 -0.716 -7.195 -6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.327 -8.074 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.989 -6.391 -6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.547 -7.697 -8.918 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.151 -6.176 -8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.084 -6.269 -10.063 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.189 -5.014 -8.845 1.00 0.00 H new ATOM 1274 N ARG A 84 0.024 -9.452 -6.761 1.00 0.00 N ATOM 1275 CA ARG A 84 0.378 -10.860 -6.891 1.00 0.00 C ATOM 1276 C ARG A 84 0.279 -11.572 -5.545 1.00 0.00 C ATOM 1277 O ARG A 84 0.353 -10.942 -4.491 1.00 0.00 O ATOM 1278 CB ARG A 84 1.795 -11.001 -7.451 1.00 0.00 C ATOM 1279 CG ARG A 84 1.846 -11.061 -8.969 1.00 0.00 C ATOM 1280 CD ARG A 84 1.620 -12.475 -9.479 1.00 0.00 C ATOM 1281 NE ARG A 84 2.869 -13.224 -9.589 1.00 0.00 N ATOM 1282 CZ ARG A 84 2.933 -14.550 -9.597 1.00 0.00 C ATOM 1283 NH1 ARG A 84 1.824 -15.271 -9.502 1.00 0.00 N ATOM 1284 NH2 ARG A 84 4.108 -15.159 -9.700 1.00 0.00 N ATOM 0 H ARG A 84 0.665 -8.907 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.327 -11.324 -7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.397 -10.160 -7.109 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.249 -11.905 -7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.088 -10.397 -9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.813 -10.698 -9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.941 -12.999 -8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.134 -12.435 -10.454 1.00 0.00 H new ATOM 0 HE ARG A 84 3.740 -12.699 -9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.919 -14.807 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.876 -16.290 -9.508 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.963 -14.608 -9.773 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.156 -16.178 -9.706 1.00 0.00 H new ATOM 1298 N GLY A 85 0.111 -12.890 -5.589 1.00 0.00 N ATOM 1299 CA GLY A 85 0.003 -13.666 -4.368 1.00 0.00 C ATOM 1300 C GLY A 85 -1.386 -13.607 -3.764 1.00 0.00 C ATOM 1301 O GLY A 85 -1.911 -14.619 -3.297 1.00 0.00 O ATOM 0 H GLY A 85 0.048 -13.434 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.261 -14.704 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.728 -13.298 -3.642 1.00 0.00 H new ATOM 1305 N LEU A 86 -1.982 -12.421 -3.771 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.319 -12.233 -3.218 1.00 0.00 C ATOM 1307 C LEU A 86 -4.386 -12.462 -4.283 1.00 0.00 C ATOM 1308 O LEU A 86 -4.088 -12.499 -5.477 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.458 -10.826 -2.635 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.418 -10.427 -1.587 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.171 -8.927 -1.624 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -2.866 -10.862 -0.199 1.00 0.00 C ATOM 0 H LEU A 86 -1.561 -11.574 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.463 -12.965 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.412 -10.109 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.448 -10.736 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.482 -10.934 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.428 -8.662 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.805 -8.643 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.102 -8.400 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.114 -10.570 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.815 -10.383 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.991 -11.945 -0.180 1.00 0.00 H new ATOM 1324 N SER A 87 -5.631 -12.614 -3.844 1.00 0.00 N ATOM 1325 CA SER A 87 -6.743 -12.842 -4.759 1.00 0.00 C ATOM 1326 C SER A 87 -7.686 -11.642 -4.778 1.00 0.00 C ATOM 1327 O SER A 87 -7.510 -10.689 -4.019 1.00 0.00 O ATOM 1328 CB SER A 87 -7.512 -14.102 -4.359 1.00 0.00 C ATOM 1329 OG SER A 87 -6.828 -15.271 -4.777 1.00 0.00 O ATOM 0 H SER A 87 -5.895 -12.583 -2.859 1.00 0.00 H new ATOM 0 HA SER A 87 -6.334 -12.978 -5.760 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.646 -14.122 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.507 -14.081 -4.803 1.00 0.00 H new ATOM 0 HG SER A 87 -7.339 -16.063 -4.508 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.686 -11.697 -5.650 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.658 -10.616 -5.768 1.00 0.00 C ATOM 1337 C ASP A 88 -10.256 -10.272 -4.408 1.00 0.00 C ATOM 1338 O ASP A 88 -10.174 -9.131 -3.954 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.769 -11.005 -6.744 1.00 0.00 C ATOM 1340 CG ASP A 88 -10.453 -10.605 -8.172 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -9.605 -9.708 -8.363 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -11.051 -11.190 -9.098 1.00 0.00 O ATOM 0 H ASP A 88 -8.845 -12.479 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.141 -9.736 -6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.928 -12.082 -6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.701 -10.532 -6.435 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.858 -11.267 -3.763 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.471 -11.067 -2.455 1.00 0.00 C ATOM 1349 C GLU A 89 -10.504 -10.372 -1.501 1.00 0.00 C ATOM 1350 O GLU A 89 -10.885 -9.452 -0.778 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.912 -12.408 -1.865 1.00 0.00 C ATOM 1352 CG GLU A 89 -12.699 -12.275 -0.572 1.00 0.00 C ATOM 1353 CD GLU A 89 -12.524 -13.470 0.344 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -11.370 -13.773 0.711 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -13.542 -14.103 0.694 1.00 0.00 O ATOM 0 H GLU A 89 -10.934 -12.218 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.346 -10.430 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.522 -12.935 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.030 -13.022 -1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.382 -11.372 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.757 -12.153 -0.806 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.253 -10.821 -1.505 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.232 -10.243 -0.639 1.00 0.00 C ATOM 1364 C GLN A 90 -7.968 -8.787 -1.007 1.00 0.00 C ATOM 1365 O GLN A 90 -8.150 -7.887 -0.186 1.00 0.00 O ATOM 1366 CB GLN A 90 -6.936 -11.049 -0.735 1.00 0.00 C ATOM 1367 CG GLN A 90 -6.904 -12.261 0.182 1.00 0.00 C ATOM 1368 CD GLN A 90 -5.844 -13.268 -0.219 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -5.786 -13.702 -1.370 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -4.997 -13.646 0.732 1.00 0.00 N ATOM 0 H GLN A 90 -8.922 -11.582 -2.098 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.598 -10.279 0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.799 -11.379 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.095 -10.399 -0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.720 -11.933 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.881 -12.744 0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.081 -13.261 1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.262 -14.321 0.521 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.536 -8.562 -2.243 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.247 -7.215 -2.718 1.00 0.00 C ATOM 1381 C ILE A 91 -8.356 -6.244 -2.326 1.00 0.00 C ATOM 1382 O ILE A 91 -8.107 -5.237 -1.662 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.070 -7.184 -4.248 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -5.911 -8.089 -4.668 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.835 -5.758 -4.725 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -5.857 -8.350 -6.157 1.00 0.00 C ATOM 0 H ILE A 91 -7.378 -9.296 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.314 -6.907 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.983 -7.556 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.972 -7.633 -4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.995 -9.041 -4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.712 -5.752 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.690 -5.138 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.935 -5.361 -4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.011 -8.999 -6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.780 -8.834 -6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.741 -7.405 -6.688 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.580 -6.554 -2.739 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.729 -5.710 -2.429 1.00 0.00 C ATOM 1400 C HIS A 92 -10.764 -5.366 -0.943 1.00 0.00 C ATOM 1401 O HIS A 92 -11.024 -4.223 -0.565 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.027 -6.409 -2.833 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.147 -5.463 -3.137 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -13.005 -4.370 -3.966 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -14.435 -5.452 -2.720 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -14.156 -3.727 -4.043 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -15.041 -4.363 -3.297 1.00 0.00 N ATOM 0 H HIS A 92 -9.802 -7.383 -3.289 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.632 -4.785 -2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.838 -7.029 -3.709 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.335 -7.078 -2.029 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -14.900 -6.167 -2.057 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -14.342 -2.832 -4.619 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -16.016 -4.090 -3.170 1.00 0.00 H new ATOM 1416 N THR A 93 -10.500 -6.362 -0.103 1.00 0.00 N ATOM 1417 CA THR A 93 -10.504 -6.166 1.341 1.00 0.00 C ATOM 1418 C THR A 93 -9.440 -5.158 1.761 1.00 0.00 C ATOM 1419 O THR A 93 -9.730 -4.197 2.475 1.00 0.00 O ATOM 1420 CB THR A 93 -10.263 -7.491 2.089 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.260 -8.450 1.719 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.292 -7.275 3.595 1.00 0.00 C ATOM 0 H THR A 93 -10.281 -7.313 -0.399 1.00 0.00 H new ATOM 0 HA THR A 93 -11.489 -5.783 1.605 1.00 0.00 H new ATOM 0 HB THR A 93 -9.278 -7.866 1.811 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.107 -8.741 0.796 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.120 -8.224 4.102 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.513 -6.567 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.265 -6.879 3.887 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.210 -5.382 1.314 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.104 -4.491 1.643 1.00 0.00 C ATOM 1432 C ILE A 94 -7.443 -3.044 1.303 1.00 0.00 C ATOM 1433 O ILE A 94 -7.034 -2.118 2.004 1.00 0.00 O ATOM 1434 CB ILE A 94 -5.817 -4.893 0.899 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.462 -6.351 1.199 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -4.670 -3.972 1.288 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.503 -6.958 0.199 1.00 0.00 C ATOM 0 H ILE A 94 -7.953 -6.173 0.723 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.937 -4.580 2.716 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.989 -4.794 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.023 -6.412 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.377 -6.943 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.768 -4.269 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.924 -2.945 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.496 -4.042 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.296 -7.992 0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.948 -6.929 -0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.572 -6.390 0.196 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.195 -2.857 0.224 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.593 -1.522 -0.209 1.00 0.00 C ATOM 1451 C LEU A 95 -9.629 -0.928 0.739 1.00 0.00 C ATOM 1452 O LEU A 95 -9.360 0.054 1.431 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.155 -1.571 -1.631 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.237 -2.172 -2.695 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.048 -2.666 -3.883 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.200 -1.152 -3.142 1.00 0.00 C ATOM 0 H LEU A 95 -8.541 -3.613 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.709 -0.885 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.082 -2.144 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.413 -0.556 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.715 -3.024 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.377 -3.090 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.751 -3.430 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.597 -1.832 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.555 -1.597 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.704 -0.281 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.598 -0.847 -2.286 1.00 0.00 H new ATOM 1468 N GLN A 96 -10.813 -1.531 0.767 1.00 0.00 N ATOM 1469 CA GLN A 96 -11.889 -1.062 1.632 1.00 0.00 C ATOM 1470 C GLN A 96 -11.364 -0.742 3.028 1.00 0.00 C ATOM 1471 O GLN A 96 -11.680 0.304 3.597 1.00 0.00 O ATOM 1472 CB GLN A 96 -12.997 -2.113 1.719 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.515 -3.465 2.219 1.00 0.00 C ATOM 1474 CD GLN A 96 -13.607 -4.516 2.204 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -14.562 -4.424 1.432 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -13.471 -5.524 3.058 1.00 0.00 N ATOM 0 H GLN A 96 -11.051 -2.345 0.201 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.298 -0.149 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -13.781 -1.748 2.382 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.446 -2.238 0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.684 -3.802 1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.133 -3.358 3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.663 -5.560 3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -14.174 -6.262 3.092 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.562 -1.649 3.576 1.00 0.00 N ATOM 1486 CA VAL A 97 -9.993 -1.463 4.906 1.00 0.00 C ATOM 1487 C VAL A 97 -9.284 -0.118 5.017 1.00 0.00 C ATOM 1488 O VAL A 97 -9.773 0.801 5.676 1.00 0.00 O ATOM 1489 CB VAL A 97 -8.997 -2.586 5.252 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.329 -2.313 6.591 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -9.699 -3.936 5.262 1.00 0.00 C ATOM 0 H VAL A 97 -10.291 -2.520 3.120 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.823 -1.493 5.612 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.223 -2.611 4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.629 -3.117 6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.791 -1.366 6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.088 -2.260 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.981 -4.718 5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.495 -3.927 6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.125 -4.132 4.278 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.130 -0.009 4.369 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.353 1.225 4.394 1.00 0.00 C ATOM 1503 C LEU A 98 -8.225 2.426 4.042 1.00 0.00 C ATOM 1504 O LEU A 98 -8.076 3.504 4.616 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.178 1.131 3.418 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.186 -0.005 3.669 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.167 -0.082 2.544 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.491 0.180 5.010 1.00 0.00 C ATOM 0 H LEU A 98 -7.712 -0.760 3.820 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.969 1.362 5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.577 1.022 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.633 2.075 3.445 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.738 -0.944 3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.469 -0.896 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.680 -0.263 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.619 0.859 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.789 -0.638 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.952 1.127 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.234 0.183 5.808 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.140 2.230 3.097 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.025 3.305 2.687 1.00 0.00 C ATOM 1522 C GLY A 99 -10.596 4.067 3.866 1.00 0.00 C ATOM 1523 O GLY A 99 -10.522 5.296 3.916 1.00 0.00 O ATOM 0 H GLY A 99 -9.284 1.346 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.480 3.994 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.842 2.893 2.095 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.169 3.338 4.819 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.757 3.954 6.003 1.00 0.00 C ATOM 1529 C HIS A 100 -10.672 4.498 6.928 1.00 0.00 C ATOM 1530 O HIS A 100 -10.708 5.662 7.327 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.623 2.942 6.754 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.773 3.247 8.213 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -13.465 4.342 8.685 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -12.316 2.592 9.306 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -13.427 4.348 10.005 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -12.736 3.297 10.407 1.00 0.00 N ATOM 0 H HIS A 100 -11.238 2.321 4.794 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.383 4.785 5.677 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.611 2.910 6.295 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -12.187 1.949 6.642 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.730 1.685 9.311 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.884 5.087 10.647 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -12.545 3.049 11.378 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.708 3.647 7.266 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.612 4.042 8.143 1.00 0.00 C ATOM 1547 C VAL A 101 -8.173 5.475 7.863 1.00 0.00 C ATOM 1548 O VAL A 101 -7.909 6.245 8.785 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.400 3.105 7.984 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.257 3.554 8.881 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.795 1.668 8.288 1.00 0.00 C ATOM 0 H VAL A 101 -9.664 2.680 6.946 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.984 3.972 9.165 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.058 3.153 6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.410 2.880 8.755 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.959 4.567 8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.583 3.537 9.921 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.927 1.019 8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.163 1.601 9.312 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.579 1.353 7.599 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.098 5.825 6.583 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.693 7.167 6.181 1.00 0.00 C ATOM 1563 C ALA A 102 -8.468 8.229 6.953 1.00 0.00 C ATOM 1564 O ALA A 102 -7.879 9.084 7.614 1.00 0.00 O ATOM 1565 CB ALA A 102 -7.891 7.351 4.683 1.00 0.00 C ATOM 0 H ALA A 102 -8.312 5.199 5.807 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.635 7.286 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.585 8.357 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.288 6.621 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.943 7.207 4.435 1.00 0.00 H new ATOM 1571 N LYS A 103 -9.793 8.168 6.866 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.650 9.124 7.557 1.00 0.00 C ATOM 1573 C LYS A 103 -10.340 9.153 9.050 1.00 0.00 C ATOM 1574 O LYS A 103 -10.498 10.181 9.707 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.123 8.772 7.338 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.570 8.900 5.892 1.00 0.00 C ATOM 1577 CD LYS A 103 -13.696 7.932 5.569 1.00 0.00 C ATOM 1578 CE LYS A 103 -14.913 8.180 6.447 1.00 0.00 C ATOM 1579 NZ LYS A 103 -15.967 7.149 6.237 1.00 0.00 N ATOM 0 H LYS A 103 -10.296 7.466 6.323 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.454 10.113 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.298 7.750 7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.739 9.422 7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.901 9.921 5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.725 8.710 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.976 8.034 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.348 6.908 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.611 8.183 7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.322 9.167 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.780 7.353 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.274 7.163 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.585 6.210 6.468 1.00 0.00 H new ATOM 1593 N ALA A 104 -9.897 8.017 9.580 1.00 0.00 N ATOM 1594 CA ALA A 104 -9.561 7.913 10.994 1.00 0.00 C ATOM 1595 C ALA A 104 -8.385 8.817 11.347 1.00 0.00 C ATOM 1596 O ALA A 104 -8.149 9.117 12.517 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.248 6.470 11.358 1.00 0.00 C ATOM 0 H ALA A 104 -9.763 7.156 9.050 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.425 8.242 11.572 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.999 6.408 12.417 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.118 5.846 11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.403 6.120 10.765 1.00 0.00 H new ATOM 1603 N GLY A 105 -7.649 9.248 10.327 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.505 10.113 10.551 1.00 0.00 C ATOM 1605 C GLY A 105 -6.546 11.363 9.694 1.00 0.00 C ATOM 1606 O GLY A 105 -5.513 11.827 9.209 1.00 0.00 O ATOM 0 H GLY A 105 -7.824 9.014 9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.470 10.398 11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.589 9.561 10.339 1.00 0.00 H new ATOM 1610 N LEU A 106 -7.742 11.909 9.505 1.00 0.00 N ATOM 1611 CA LEU A 106 -7.915 13.112 8.699 1.00 0.00 C ATOM 1612 C LEU A 106 -7.516 14.357 9.485 1.00 0.00 C ATOM 1613 O LEU A 106 -7.462 14.336 10.714 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.367 13.233 8.232 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.691 12.605 6.876 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.191 12.408 6.725 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.148 13.467 5.746 1.00 0.00 C ATOM 0 H LEU A 106 -8.606 11.538 9.899 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.265 13.032 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.009 12.775 8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.628 14.291 8.192 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.210 11.628 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.403 11.960 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.553 11.750 7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.694 13.372 6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.388 13.005 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.600 14.457 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.066 13.557 5.845 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.239 15.441 8.767 1.00 0.00 N ATOM 1630 CA GLY A 107 -6.851 16.680 9.414 1.00 0.00 C ATOM 1631 C GLY A 107 -5.371 16.724 9.743 1.00 0.00 C ATOM 1632 O GLY A 107 -4.769 17.797 9.790 1.00 0.00 O ATOM 0 H GLY A 107 -7.276 15.483 7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.101 17.519 8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.428 16.804 10.331 1.00 0.00 H new ATOM 1636 N THR A 108 -4.783 15.554 9.974 1.00 0.00 N ATOM 1637 CA THR A 108 -3.367 15.463 10.304 1.00 0.00 C ATOM 1638 C THR A 108 -2.697 14.327 9.539 1.00 0.00 C ATOM 1639 O THR A 108 -3.353 13.587 8.807 1.00 0.00 O ATOM 1640 CB THR A 108 -3.154 15.245 11.814 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.907 14.110 12.256 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.573 16.476 12.602 1.00 0.00 C ATOM 0 H THR A 108 -5.266 14.656 9.938 1.00 0.00 H new ATOM 0 HA THR A 108 -2.914 16.411 10.014 1.00 0.00 H new ATOM 0 HB THR A 108 -2.093 15.066 11.987 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.765 13.977 13.216 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.414 16.299 13.666 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.978 17.332 12.284 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.628 16.681 12.422 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.386 14.194 9.714 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.628 13.146 9.042 1.00 0.00 C ATOM 1652 C ALA A 109 -1.352 11.807 9.122 1.00 0.00 C ATOM 1653 O ALA A 109 -1.804 11.398 10.192 1.00 0.00 O ATOM 1654 CB ALA A 109 0.764 13.032 9.646 1.00 0.00 C ATOM 0 H ALA A 109 -0.827 14.799 10.316 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.535 13.417 7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.319 12.246 9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.289 13.980 9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.682 12.788 10.705 1.00 0.00 H new ATOM 1660 N MET A 110 -1.460 11.129 7.984 1.00 0.00 N ATOM 1661 CA MET A 110 -2.130 9.835 7.927 1.00 0.00 C ATOM 1662 C MET A 110 -1.290 8.822 7.155 1.00 0.00 C ATOM 1663 O MET A 110 -1.237 7.644 7.511 1.00 0.00 O ATOM 1664 CB MET A 110 -3.506 9.978 7.274 1.00 0.00 C ATOM 1665 CG MET A 110 -3.512 10.897 6.063 1.00 0.00 C ATOM 1666 SD MET A 110 -5.020 10.748 5.086 1.00 0.00 S ATOM 1667 CE MET A 110 -5.981 12.112 5.736 1.00 0.00 C ATOM 0 H MET A 110 -1.093 11.454 7.090 1.00 0.00 H new ATOM 0 HA MET A 110 -2.256 9.473 8.947 1.00 0.00 H new ATOM 0 HB2 MET A 110 -3.861 8.992 6.973 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.212 10.359 8.012 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.399 11.929 6.394 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.652 10.668 5.434 1.00 0.00 H new ATOM 0 HE1 MET A 110 -6.965 11.753 6.037 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.470 12.538 6.600 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.093 12.877 4.968 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.636 9.287 6.096 1.00 0.00 N ATOM 1678 CA LEU A 111 0.201 8.421 5.273 1.00 0.00 C ATOM 1679 C LEU A 111 0.881 7.353 6.124 1.00 0.00 C ATOM 1680 O LEU A 111 0.948 6.186 5.736 1.00 0.00 O ATOM 1681 CB LEU A 111 1.255 9.249 4.535 1.00 0.00 C ATOM 1682 CG LEU A 111 0.725 10.401 3.682 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.852 11.356 3.316 1.00 0.00 C ATOM 1684 CD2 LEU A 111 0.048 9.869 2.428 1.00 0.00 C ATOM 0 H LEU A 111 -0.669 10.259 5.787 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.439 7.925 4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.948 9.657 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.828 8.581 3.892 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.015 10.949 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.456 12.170 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.294 11.763 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.615 10.820 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.323 10.703 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.767 9.296 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.785 9.225 2.710 1.00 0.00 H new ATOM 1696 N TYR A 112 1.382 7.759 7.285 1.00 0.00 N ATOM 1697 CA TYR A 112 2.057 6.837 8.191 1.00 0.00 C ATOM 1698 C TYR A 112 1.122 5.709 8.616 1.00 0.00 C ATOM 1699 O TYR A 112 1.355 4.543 8.298 1.00 0.00 O ATOM 1700 CB TYR A 112 2.568 7.583 9.424 1.00 0.00 C ATOM 1701 CG TYR A 112 3.558 6.789 10.245 1.00 0.00 C ATOM 1702 CD1 TYR A 112 3.130 5.954 11.270 1.00 0.00 C ATOM 1703 CD2 TYR A 112 4.922 6.873 9.996 1.00 0.00 C ATOM 1704 CE1 TYR A 112 4.032 5.227 12.023 1.00 0.00 C ATOM 1705 CE2 TYR A 112 5.831 6.149 10.743 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.381 5.328 11.756 1.00 0.00 C ATOM 1707 OH TYR A 112 6.282 4.604 12.502 1.00 0.00 O ATOM 0 H TYR A 112 1.334 8.721 7.621 1.00 0.00 H new ATOM 0 HA TYR A 112 2.904 6.402 7.661 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.037 8.514 9.106 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.720 7.851 10.053 1.00 0.00 H new ATOM 0 HD1 TYR A 112 2.074 5.872 11.482 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.278 7.516 9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.682 4.583 12.816 1.00 0.00 H new ATOM 0 HE2 TYR A 112 6.888 6.225 10.535 1.00 0.00 H new ATOM 0 HH TYR A 112 7.191 4.788 12.185 1.00 0.00 H new ATOM 1717 N GLU A 113 0.063 6.066 9.336 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.907 5.083 9.805 1.00 0.00 C ATOM 1719 C GLU A 113 -1.345 4.165 8.667 1.00 0.00 C ATOM 1720 O GLU A 113 -1.183 2.947 8.740 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.126 5.785 10.407 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.801 4.991 11.513 1.00 0.00 C ATOM 1723 CD GLU A 113 -3.035 3.542 11.131 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -4.105 3.246 10.558 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -2.150 2.706 11.404 1.00 0.00 O ATOM 0 H GLU A 113 -0.145 7.027 9.607 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.429 4.476 10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.819 6.753 10.802 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.851 5.979 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.185 5.031 12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.755 5.457 11.759 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.902 4.759 7.617 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.365 3.996 6.463 1.00 0.00 C ATOM 1734 C LEU A 114 -1.440 2.816 6.184 1.00 0.00 C ATOM 1735 O LEU A 114 -1.898 1.695 5.958 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.446 4.897 5.230 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.598 5.903 5.208 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.353 6.973 4.156 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -4.920 5.193 4.952 1.00 0.00 C ATOM 0 H LEU A 114 -2.044 5.766 7.541 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.359 3.610 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.509 5.447 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.526 4.264 4.347 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.651 6.388 6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.183 7.679 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.427 7.501 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.273 6.506 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.729 5.924 4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.878 4.682 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.101 4.465 5.743 1.00 0.00 H new ATOM 1751 N ILE A 115 -0.136 3.074 6.204 1.00 0.00 N ATOM 1752 CA ILE A 115 0.852 2.032 5.957 1.00 0.00 C ATOM 1753 C ILE A 115 0.872 1.013 7.091 1.00 0.00 C ATOM 1754 O ILE A 115 0.578 -0.164 6.884 1.00 0.00 O ATOM 1755 CB ILE A 115 2.264 2.624 5.790 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.302 3.580 4.596 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.288 1.512 5.618 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.368 4.647 4.709 1.00 0.00 C ATOM 0 H ILE A 115 0.260 3.996 6.389 1.00 0.00 H new ATOM 0 HA ILE A 115 0.562 1.536 5.031 1.00 0.00 H new ATOM 0 HB ILE A 115 2.515 3.186 6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.471 3.005 3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.329 4.060 4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.281 1.947 5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.275 0.867 6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.042 0.925 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.336 5.288 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.189 5.247 5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.348 4.176 4.780 1.00 0.00 H new ATOM 1770 N GLU A 116 1.218 1.474 8.289 1.00 0.00 N ATOM 1771 CA GLU A 116 1.275 0.601 9.455 1.00 0.00 C ATOM 1772 C GLU A 116 0.139 -0.418 9.428 1.00 0.00 C ATOM 1773 O GLU A 116 0.325 -1.581 9.786 1.00 0.00 O ATOM 1774 CB GLU A 116 1.202 1.427 10.741 1.00 0.00 C ATOM 1775 CG GLU A 116 2.484 2.179 11.055 1.00 0.00 C ATOM 1776 CD GLU A 116 3.172 2.704 9.809 1.00 0.00 C ATOM 1777 OE1 GLU A 116 3.593 1.879 8.971 1.00 0.00 O ATOM 1778 OE2 GLU A 116 3.289 3.940 9.673 1.00 0.00 O ATOM 0 H GLU A 116 1.463 2.446 8.477 1.00 0.00 H new ATOM 0 HA GLU A 116 2.223 0.064 9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.383 2.141 10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.965 0.766 11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.258 3.013 11.720 1.00 0.00 H new ATOM 0 HG3 GLU A 116 3.166 1.519 11.592 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.038 0.027 9.000 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.204 -0.844 8.924 1.00 0.00 C ATOM 1787 C LYS A 117 -1.951 -2.011 7.975 1.00 0.00 C ATOM 1788 O LYS A 117 -1.998 -3.173 8.378 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.429 -0.052 8.461 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.735 -0.550 9.053 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.980 -2.011 8.715 1.00 0.00 C ATOM 1792 CE LYS A 117 -6.041 -2.622 9.618 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.096 -4.104 9.484 1.00 0.00 N ATOM 0 H LYS A 117 -1.209 0.987 8.700 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.393 -1.244 9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.295 0.996 8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.492 -0.099 7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -4.716 -0.424 10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.560 0.055 8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.293 -2.097 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.050 -2.570 8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.831 -2.359 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.015 -2.199 9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.468 -4.518 10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.719 -4.358 8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -5.140 -4.472 9.305 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.682 -1.693 6.712 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.424 -2.726 5.726 1.00 0.00 C ATOM 1809 C GLY A 118 -0.706 -3.924 6.316 1.00 0.00 C ATOM 1810 O GLY A 118 -1.227 -5.039 6.301 1.00 0.00 O ATOM 0 H GLY A 118 -1.638 -0.739 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.368 -3.051 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.825 -2.310 4.916 1.00 0.00 H new ATOM 1814 N LYS A 119 0.496 -3.695 6.835 1.00 0.00 N ATOM 1815 CA LYS A 119 1.288 -4.764 7.432 1.00 0.00 C ATOM 1816 C LYS A 119 0.392 -5.770 8.147 1.00 0.00 C ATOM 1817 O LYS A 119 0.566 -6.980 8.004 1.00 0.00 O ATOM 1818 CB LYS A 119 2.307 -4.183 8.414 1.00 0.00 C ATOM 1819 CG LYS A 119 3.271 -3.197 7.778 1.00 0.00 C ATOM 1820 CD LYS A 119 3.732 -2.146 8.775 1.00 0.00 C ATOM 1821 CE LYS A 119 4.984 -2.591 9.515 1.00 0.00 C ATOM 1822 NZ LYS A 119 4.688 -3.650 10.519 1.00 0.00 N ATOM 0 H LYS A 119 0.943 -2.778 6.854 1.00 0.00 H new ATOM 0 HA LYS A 119 1.818 -5.281 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.775 -3.686 9.225 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.876 -4.999 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.136 -3.733 7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.788 -2.709 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.930 -1.210 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.935 -1.949 9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.716 -2.964 8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.435 -1.733 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.439 -3.666 11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.775 -3.450 10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.643 -4.575 10.045 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.566 -5.262 8.916 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.488 -6.118 9.652 1.00 0.00 C ATOM 1838 C GLU A 120 -2.503 -6.761 8.711 1.00 0.00 C ATOM 1839 O GLU A 120 -2.781 -7.957 8.805 1.00 0.00 O ATOM 1840 CB GLU A 120 -2.215 -5.312 10.731 1.00 0.00 C ATOM 1841 CG GLU A 120 -1.397 -5.110 11.995 1.00 0.00 C ATOM 1842 CD GLU A 120 -1.367 -6.345 12.874 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -0.809 -7.372 12.436 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -1.901 -6.283 14.001 1.00 0.00 O ATOM 0 H GLU A 120 -0.723 -4.263 9.045 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.908 -6.909 10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.486 -4.338 10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.145 -5.820 10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.377 -4.837 11.724 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.810 -4.275 12.561 1.00 0.00 H new ATOM 1851 N ILE A 121 -3.052 -5.959 7.806 1.00 0.00 N ATOM 1852 CA ILE A 121 -4.035 -6.450 6.848 1.00 0.00 C ATOM 1853 C ILE A 121 -3.607 -7.789 6.258 1.00 0.00 C ATOM 1854 O ILE A 121 -4.361 -8.763 6.289 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.255 -5.444 5.702 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -5.001 -4.210 6.214 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.022 -6.099 4.563 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -5.320 -3.204 5.130 1.00 0.00 C ATOM 0 H ILE A 121 -2.833 -4.967 7.716 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.970 -6.578 7.393 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.283 -5.127 5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.930 -4.528 6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.400 -3.725 6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.170 -5.376 3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.455 -6.950 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -5.991 -6.441 4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.849 -2.356 5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.394 -2.858 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.947 -3.673 4.372 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.392 -7.832 5.723 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.861 -9.054 5.127 1.00 0.00 C ATOM 1872 C LEU A 122 -1.943 -10.218 6.109 1.00 0.00 C ATOM 1873 O LEU A 122 -2.445 -11.291 5.774 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.411 -8.842 4.689 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.189 -7.819 3.575 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.294 -7.521 3.413 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.781 -8.319 2.266 1.00 0.00 C ATOM 0 H LEU A 122 -1.756 -7.035 5.689 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.466 -9.297 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.169 -8.534 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.008 -9.800 4.361 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.697 -6.894 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.433 -6.791 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.688 -7.119 4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.824 -8.439 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.614 -7.578 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.302 -9.257 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.852 -8.481 2.389 1.00 0.00 H new