USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 746 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 92 SER OG : rot -74:sc= -1.1 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.0481 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 71:sc= 1.1 USER MOD Single : A 18 SER OG : rot 160:sc= -0.106 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0.146 (180deg=0.135) USER MOD Single : A 27 GLN : amide:sc= -4.86! C(o=-4.9!,f=-17!) USER MOD Single : A 28 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.798 K(o=0.8,f=-0.93) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -110:sc= -2.23! USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.318 K(o=-0.32,f=-4!) USER MOD Single : A 54 GLN : amide:sc= -0.622 X(o=-0.62,f=-0.62) USER MOD Single : A 56 MET CE :methyl 152:sc= -0.649 (180deg=-1.65!) USER MOD Single : A 57 TYR OH : rot -49:sc= -0.328 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -7.76! C(o=-7.8!,f=-8.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc=-0.00447 F(o=-0.64,f=-0.0045) USER MOD Single : A 75 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.6!) USER MOD Single : A 78 ASN : amide:sc= -3.72! C(o=-3.7!,f=-3.8!) USER MOD Single : A 82 TYR OH : rot 30:sc= -1.27 USER MOD Single : A 83 CYS SG : rot -84:sc= -4.22! USER MOD Single : A 86 TYR OH : rot -83:sc= 0.707 USER MOD Single : A 88 SER OG : rot -160:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0643) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.264 K(o=-0.26,f=-2.6!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -7.973 -1.732 -0.940 1.00 0.00 N ATOM 84 CA VAL A 9 -7.273 -0.915 -1.917 1.00 0.00 C ATOM 85 C VAL A 9 -5.954 -0.428 -1.316 1.00 0.00 C ATOM 86 O VAL A 9 -5.951 0.376 -0.384 1.00 0.00 O ATOM 87 CB VAL A 9 -8.175 0.228 -2.386 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.345 1.399 -2.916 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.174 -0.257 -3.438 1.00 0.00 C ATOM 0 HA VAL A 9 -7.029 -1.502 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.742 0.582 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.010 2.198 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.693 1.770 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.739 1.064 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.803 0.576 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.634 -0.651 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.799 -1.042 -3.012 1.00 0.00 H new ATOM 99 N ILE A 10 -4.863 -0.934 -1.873 1.00 0.00 N ATOM 100 CA ILE A 10 -3.540 -0.560 -1.403 1.00 0.00 C ATOM 101 C ILE A 10 -3.211 0.852 -1.890 1.00 0.00 C ATOM 102 O ILE A 10 -2.457 1.023 -2.847 1.00 0.00 O ATOM 103 CB ILE A 10 -2.508 -1.610 -1.819 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.826 -2.970 -1.193 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.088 -1.145 -1.487 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.047 -2.841 0.315 1.00 0.00 C ATOM 0 H ILE A 10 -4.869 -1.600 -2.646 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.515 -0.536 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.563 -1.732 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.717 -3.390 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.008 -3.664 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.374 -1.910 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.876 -0.217 -2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.002 -0.977 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.271 -3.821 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.146 -2.444 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.882 -2.166 0.504 1.00 0.00 H new ATOM 118 N ARG A 11 -3.793 1.829 -1.210 1.00 0.00 N ATOM 119 CA ARG A 11 -3.571 3.221 -1.562 1.00 0.00 C ATOM 120 C ARG A 11 -2.077 3.547 -1.523 1.00 0.00 C ATOM 121 O ARG A 11 -1.489 3.654 -0.448 1.00 0.00 O ATOM 122 CB ARG A 11 -4.315 4.156 -0.606 1.00 0.00 C ATOM 123 CG ARG A 11 -5.825 3.916 -0.667 1.00 0.00 C ATOM 124 CD ARG A 11 -6.591 5.075 -0.026 1.00 0.00 C ATOM 125 NE ARG A 11 -5.996 5.409 1.287 1.00 0.00 N ATOM 126 CZ ARG A 11 -6.245 6.542 1.958 1.00 0.00 C ATOM 127 NH1 ARG A 11 -7.078 7.457 1.443 1.00 0.00 N ATOM 128 NH2 ARG A 11 -5.660 6.761 3.144 1.00 0.00 N ATOM 0 H ARG A 11 -4.418 1.684 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.953 3.373 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.959 3.999 0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.097 5.193 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.137 3.799 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.070 2.986 -0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.562 5.947 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.639 4.804 0.099 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.356 4.735 1.708 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.523 7.291 0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.267 8.319 1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.025 6.065 3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.850 7.623 3.655 1.00 0.00 H new ATOM 142 N VAL A 12 -1.505 3.694 -2.709 1.00 0.00 N ATOM 143 CA VAL A 12 -0.091 4.005 -2.825 1.00 0.00 C ATOM 144 C VAL A 12 0.075 5.484 -3.182 1.00 0.00 C ATOM 145 O VAL A 12 -0.247 5.898 -4.295 1.00 0.00 O ATOM 146 CB VAL A 12 0.570 3.069 -3.838 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.968 3.565 -4.213 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.621 1.635 -3.307 1.00 0.00 C ATOM 0 H VAL A 12 -1.996 3.603 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 12 0.414 3.841 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.039 3.070 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.415 2.881 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.895 4.560 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.591 3.608 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.096 0.990 -4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.196 1.610 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.392 1.282 -3.115 1.00 0.00 H new ATOM 158 N PHE A 13 0.576 6.240 -2.216 1.00 0.00 N ATOM 159 CA PHE A 13 0.788 7.664 -2.415 1.00 0.00 C ATOM 160 C PHE A 13 2.039 7.920 -3.257 1.00 0.00 C ATOM 161 O PHE A 13 3.097 7.351 -2.993 1.00 0.00 O ATOM 162 CB PHE A 13 0.984 8.284 -1.030 1.00 0.00 C ATOM 163 CG PHE A 13 -0.316 8.491 -0.251 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.371 7.656 -0.454 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.418 9.509 0.645 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.577 7.848 0.270 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.624 9.701 1.368 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.679 8.866 1.165 1.00 0.00 C ATOM 0 H PHE A 13 0.841 5.894 -1.294 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.064 8.098 -2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.647 7.644 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.486 9.245 -1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.291 6.848 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.419 10.172 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.414 7.185 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.704 10.510 2.079 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.597 9.012 1.715 1.00 0.00 H new ATOM 178 N ILE A 14 1.877 8.777 -4.255 1.00 0.00 N ATOM 179 CA ILE A 14 2.980 9.115 -5.138 1.00 0.00 C ATOM 180 C ILE A 14 2.961 10.619 -5.418 1.00 0.00 C ATOM 181 O ILE A 14 1.894 11.226 -5.496 1.00 0.00 O ATOM 182 CB ILE A 14 2.939 8.253 -6.401 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.629 8.461 -7.164 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.181 6.780 -6.068 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.896 8.973 -8.581 1.00 0.00 C ATOM 0 H ILE A 14 0.998 9.247 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 14 3.933 8.892 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 14 3.748 8.571 -7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.078 7.522 -7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.001 9.173 -6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.147 6.190 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.160 6.669 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.410 6.431 -5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.949 9.113 -9.102 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.426 9.924 -8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.504 8.247 -9.122 1.00 0.00 H new ATOM 197 N ALA A 15 4.154 11.177 -5.562 1.00 0.00 N ATOM 198 CA ALA A 15 4.287 12.599 -5.832 1.00 0.00 C ATOM 199 C ALA A 15 4.928 12.794 -7.208 1.00 0.00 C ATOM 200 O ALA A 15 6.109 13.125 -7.304 1.00 0.00 O ATOM 201 CB ALA A 15 5.095 13.258 -4.713 1.00 0.00 C ATOM 0 H ALA A 15 5.037 10.671 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 15 3.309 13.079 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.195 14.324 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.582 13.116 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.085 12.804 -4.663 1.00 0.00 H new ATOM 207 N SER A 16 4.122 12.582 -8.237 1.00 0.00 N ATOM 208 CA SER A 16 4.596 12.731 -9.602 1.00 0.00 C ATOM 209 C SER A 16 5.130 14.148 -9.820 1.00 0.00 C ATOM 210 O SER A 16 4.404 15.023 -10.290 1.00 0.00 O ATOM 211 CB SER A 16 3.485 12.422 -10.608 1.00 0.00 C ATOM 212 OG SER A 16 3.997 11.867 -11.816 1.00 0.00 O ATOM 0 H SER A 16 3.143 12.308 -8.153 1.00 0.00 H new ATOM 0 HA SER A 16 5.404 12.017 -9.763 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.775 11.726 -10.162 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.936 13.336 -10.833 1.00 0.00 H new ATOM 0 HG SER A 16 3.257 11.682 -12.431 1.00 0.00 H new ATOM 218 N SER A 17 6.393 14.331 -9.466 1.00 0.00 N ATOM 219 CA SER A 17 7.033 15.627 -9.616 1.00 0.00 C ATOM 220 C SER A 17 8.325 15.671 -8.799 1.00 0.00 C ATOM 221 O SER A 17 9.303 16.294 -9.209 1.00 0.00 O ATOM 222 CB SER A 17 6.095 16.757 -9.188 1.00 0.00 C ATOM 223 OG SER A 17 5.442 17.361 -10.301 1.00 0.00 O ATOM 0 H SER A 17 6.991 13.603 -9.075 1.00 0.00 H new ATOM 0 HA SER A 17 7.273 15.770 -10.670 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.347 16.365 -8.498 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.663 17.514 -8.647 1.00 0.00 H new ATOM 0 HG SER A 17 4.776 16.741 -10.665 1.00 0.00 H new ATOM 229 N SER A 18 8.288 15.001 -7.656 1.00 0.00 N ATOM 230 CA SER A 18 9.444 14.956 -6.777 1.00 0.00 C ATOM 231 C SER A 18 10.724 14.813 -7.603 1.00 0.00 C ATOM 232 O SER A 18 10.847 13.894 -8.410 1.00 0.00 O ATOM 233 CB SER A 18 9.328 13.806 -5.774 1.00 0.00 C ATOM 234 OG SER A 18 10.192 13.985 -4.655 1.00 0.00 O ATOM 0 H SER A 18 7.475 14.485 -7.319 1.00 0.00 H new ATOM 0 HA SER A 18 9.484 15.890 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.297 13.729 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.568 12.866 -6.271 1.00 0.00 H new ATOM 0 HG SER A 18 9.877 13.435 -3.907 1.00 0.00 H new ATOM 240 N GLY A 19 11.645 15.737 -7.372 1.00 0.00 N ATOM 241 CA GLY A 19 12.911 15.726 -8.084 1.00 0.00 C ATOM 242 C GLY A 19 13.819 14.607 -7.571 1.00 0.00 C ATOM 243 O GLY A 19 14.910 14.870 -7.067 1.00 0.00 O ATOM 0 H GLY A 19 11.539 16.498 -6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.731 15.593 -9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.409 16.688 -7.962 1.00 0.00 H new ATOM 247 N PHE A 20 13.336 13.382 -7.717 1.00 0.00 N ATOM 248 CA PHE A 20 14.090 12.222 -7.275 1.00 0.00 C ATOM 249 C PHE A 20 13.664 10.967 -8.039 1.00 0.00 C ATOM 250 O PHE A 20 12.788 10.229 -7.589 1.00 0.00 O ATOM 251 CB PHE A 20 13.783 12.029 -5.788 1.00 0.00 C ATOM 252 CG PHE A 20 14.335 13.137 -4.890 1.00 0.00 C ATOM 253 CD1 PHE A 20 13.697 14.336 -4.818 1.00 0.00 C ATOM 254 CD2 PHE A 20 15.464 12.923 -4.162 1.00 0.00 C ATOM 255 CE1 PHE A 20 14.210 15.364 -3.984 1.00 0.00 C ATOM 256 CE2 PHE A 20 15.977 13.951 -3.328 1.00 0.00 C ATOM 257 CZ PHE A 20 15.339 15.150 -3.256 1.00 0.00 C ATOM 0 H PHE A 20 12.431 13.168 -8.136 1.00 0.00 H new ATOM 0 HA PHE A 20 15.154 12.379 -7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.703 11.972 -5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.195 11.073 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 20 12.800 14.506 -5.395 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.970 11.971 -4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.704 16.316 -3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.874 13.781 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.729 15.932 -2.621 1.00 0.00 H new ATOM 267 N VAL A 21 14.304 10.762 -9.181 1.00 0.00 N ATOM 268 CA VAL A 21 14.002 9.609 -10.012 1.00 0.00 C ATOM 269 C VAL A 21 13.920 8.360 -9.132 1.00 0.00 C ATOM 270 O VAL A 21 13.077 7.492 -9.357 1.00 0.00 O ATOM 271 CB VAL A 21 15.038 9.485 -11.131 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.384 9.009 -10.582 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.538 8.557 -12.240 1.00 0.00 C ATOM 0 H VAL A 21 15.031 11.375 -9.550 1.00 0.00 H new ATOM 0 HA VAL A 21 13.033 9.730 -10.496 1.00 0.00 H new ATOM 0 HB VAL A 21 15.185 10.475 -11.563 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.102 8.929 -11.398 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.750 9.724 -9.845 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.260 8.034 -10.111 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.293 8.486 -13.023 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.349 7.566 -11.827 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.615 8.957 -12.661 1.00 0.00 H new ATOM 283 N ALA A 22 14.807 8.308 -8.150 1.00 0.00 N ATOM 284 CA ALA A 22 14.846 7.179 -7.236 1.00 0.00 C ATOM 285 C ALA A 22 13.427 6.868 -6.756 1.00 0.00 C ATOM 286 O ALA A 22 12.983 5.722 -6.821 1.00 0.00 O ATOM 287 CB ALA A 22 15.797 7.491 -6.078 1.00 0.00 C ATOM 0 H ALA A 22 15.505 9.029 -7.967 1.00 0.00 H new ATOM 0 HA ALA A 22 15.226 6.291 -7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.826 6.644 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.798 7.676 -6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.446 8.376 -5.547 1.00 0.00 H new ATOM 293 N ILE A 23 12.754 7.907 -6.285 1.00 0.00 N ATOM 294 CA ILE A 23 11.394 7.759 -5.795 1.00 0.00 C ATOM 295 C ILE A 23 10.533 7.111 -6.881 1.00 0.00 C ATOM 296 O ILE A 23 9.917 6.072 -6.652 1.00 0.00 O ATOM 297 CB ILE A 23 10.853 9.103 -5.302 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.753 9.689 -4.212 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.401 8.972 -4.837 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.227 11.045 -3.737 1.00 0.00 C ATOM 0 H ILE A 23 13.125 8.856 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 23 11.371 7.095 -4.931 1.00 0.00 H new ATOM 0 HB ILE A 23 10.862 9.803 -6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.805 9.000 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.767 9.802 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.041 9.941 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.783 8.630 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.344 8.252 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.885 11.439 -2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.199 11.739 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.222 10.924 -3.333 1.00 0.00 H new ATOM 312 N LYS A 24 10.518 7.752 -8.041 1.00 0.00 N ATOM 313 CA LYS A 24 9.742 7.251 -9.163 1.00 0.00 C ATOM 314 C LYS A 24 9.921 5.735 -9.264 1.00 0.00 C ATOM 315 O LYS A 24 8.962 4.981 -9.104 1.00 0.00 O ATOM 316 CB LYS A 24 10.110 8.001 -10.445 1.00 0.00 C ATOM 317 CG LYS A 24 9.132 9.148 -10.708 1.00 0.00 C ATOM 318 CD LYS A 24 9.711 10.140 -11.719 1.00 0.00 C ATOM 319 CE LYS A 24 9.511 9.643 -13.152 1.00 0.00 C ATOM 320 NZ LYS A 24 9.118 10.761 -14.039 1.00 0.00 N ATOM 0 H LYS A 24 11.031 8.614 -8.228 1.00 0.00 H new ATOM 0 HA LYS A 24 8.680 7.437 -9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.123 8.394 -10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.103 7.311 -11.289 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.190 8.749 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.910 9.663 -9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.231 11.111 -11.597 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.774 10.283 -11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.432 9.188 -13.517 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.744 8.869 -13.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.986 10.406 -15.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.228 11.177 -13.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.863 11.486 -14.034 1.00 0.00 H new ATOM 334 N LYS A 25 11.155 5.333 -9.530 1.00 0.00 N ATOM 335 CA LYS A 25 11.472 3.921 -9.655 1.00 0.00 C ATOM 336 C LYS A 25 10.720 3.137 -8.577 1.00 0.00 C ATOM 337 O LYS A 25 9.956 2.224 -8.888 1.00 0.00 O ATOM 338 CB LYS A 25 12.987 3.707 -9.627 1.00 0.00 C ATOM 339 CG LYS A 25 13.618 4.080 -10.970 1.00 0.00 C ATOM 340 CD LYS A 25 14.530 2.961 -11.477 1.00 0.00 C ATOM 341 CE LYS A 25 15.961 3.465 -11.671 1.00 0.00 C ATOM 342 NZ LYS A 25 16.929 2.526 -11.061 1.00 0.00 N ATOM 0 H LYS A 25 11.948 5.961 -9.662 1.00 0.00 H new ATOM 0 HA LYS A 25 11.138 3.539 -10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.429 4.310 -8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.207 2.665 -9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.835 4.275 -11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.191 5.001 -10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.525 2.134 -10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.146 2.574 -12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.173 3.575 -12.735 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.069 4.452 -11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.895 2.883 -11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.736 2.442 -10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.837 1.592 -11.509 1.00 0.00 H new ATOM 356 N LYS A 26 10.963 3.522 -7.333 1.00 0.00 N ATOM 357 CA LYS A 26 10.319 2.867 -6.208 1.00 0.00 C ATOM 358 C LYS A 26 8.800 2.931 -6.386 1.00 0.00 C ATOM 359 O LYS A 26 8.109 1.929 -6.217 1.00 0.00 O ATOM 360 CB LYS A 26 10.808 3.464 -4.887 1.00 0.00 C ATOM 361 CG LYS A 26 12.329 3.345 -4.762 1.00 0.00 C ATOM 362 CD LYS A 26 12.850 4.189 -3.597 1.00 0.00 C ATOM 363 CE LYS A 26 14.332 3.909 -3.338 1.00 0.00 C ATOM 364 NZ LYS A 26 14.656 4.113 -1.908 1.00 0.00 N ATOM 0 H LYS A 26 11.597 4.280 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 26 10.593 1.812 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.515 4.512 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.330 2.951 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.605 2.301 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.800 3.669 -5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.709 5.247 -3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.272 3.971 -2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.571 2.886 -3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.945 4.567 -3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.682 4.019 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.353 5.064 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.161 3.400 -1.335 1.00 0.00 H new ATOM 378 N GLN A 27 8.327 4.121 -6.727 1.00 0.00 N ATOM 379 CA GLN A 27 6.904 4.330 -6.931 1.00 0.00 C ATOM 380 C GLN A 27 6.368 3.349 -7.976 1.00 0.00 C ATOM 381 O GLN A 27 5.223 2.908 -7.889 1.00 0.00 O ATOM 382 CB GLN A 27 6.614 5.776 -7.336 1.00 0.00 C ATOM 383 CG GLN A 27 6.881 6.735 -6.174 1.00 0.00 C ATOM 384 CD GLN A 27 6.336 8.132 -6.480 1.00 0.00 C ATOM 385 OE1 GLN A 27 5.840 8.836 -5.615 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.455 8.492 -7.754 1.00 0.00 N ATOM 0 H GLN A 27 8.904 4.950 -6.867 1.00 0.00 H new ATOM 0 HA GLN A 27 6.390 4.142 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.235 6.050 -8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.576 5.867 -7.656 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.416 6.350 -5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.953 6.792 -5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.880 7.854 -8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.121 9.406 -8.059 1.00 0.00 H new ATOM 395 N GLN A 28 7.221 3.037 -8.940 1.00 0.00 N ATOM 396 CA GLN A 28 6.848 2.117 -10.001 1.00 0.00 C ATOM 397 C GLN A 28 6.866 0.677 -9.486 1.00 0.00 C ATOM 398 O GLN A 28 5.839 0.000 -9.487 1.00 0.00 O ATOM 399 CB GLN A 28 7.767 2.277 -11.214 1.00 0.00 C ATOM 400 CG GLN A 28 7.411 3.535 -12.009 1.00 0.00 C ATOM 401 CD GLN A 28 6.829 3.172 -13.377 1.00 0.00 C ATOM 402 OE1 GLN A 28 5.626 3.092 -13.568 1.00 0.00 O ATOM 403 NE2 GLN A 28 7.746 2.958 -14.316 1.00 0.00 N ATOM 0 H GLN A 28 8.170 3.405 -9.009 1.00 0.00 H new ATOM 0 HA GLN A 28 5.834 2.355 -10.321 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.804 2.332 -10.884 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.683 1.400 -11.856 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.690 4.131 -11.450 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.301 4.151 -12.140 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.737 3.041 -14.089 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.458 2.710 -15.263 1.00 0.00 H new ATOM 412 N ASP A 29 8.045 0.250 -9.057 1.00 0.00 N ATOM 413 CA ASP A 29 8.210 -1.097 -8.540 1.00 0.00 C ATOM 414 C ASP A 29 6.990 -1.468 -7.695 1.00 0.00 C ATOM 415 O ASP A 29 6.617 -2.637 -7.616 1.00 0.00 O ATOM 416 CB ASP A 29 9.450 -1.197 -7.649 1.00 0.00 C ATOM 417 CG ASP A 29 10.083 -2.588 -7.575 1.00 0.00 C ATOM 418 OD1 ASP A 29 9.339 -3.563 -7.814 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.297 -2.644 -7.281 1.00 0.00 O ATOM 0 H ASP A 29 8.895 0.814 -9.057 1.00 0.00 H new ATOM 0 HA ASP A 29 8.320 -1.772 -9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.198 -0.493 -8.013 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.181 -0.883 -6.641 1.00 0.00 H new ATOM 424 N VAL A 30 6.402 -0.450 -7.084 1.00 0.00 N ATOM 425 CA VAL A 30 5.231 -0.654 -6.248 1.00 0.00 C ATOM 426 C VAL A 30 4.050 -1.073 -7.125 1.00 0.00 C ATOM 427 O VAL A 30 3.830 -2.262 -7.350 1.00 0.00 O ATOM 428 CB VAL A 30 4.948 0.605 -5.426 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.624 0.481 -4.670 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.102 0.905 -4.467 1.00 0.00 C ATOM 0 H VAL A 30 6.715 0.519 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 30 5.408 -1.459 -5.534 1.00 0.00 H new ATOM 0 HB VAL A 30 4.861 1.443 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.447 1.389 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.811 0.339 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.669 -0.374 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.875 1.805 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.236 0.065 -3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.018 1.059 -5.037 1.00 0.00 H new ATOM 440 N VAL A 31 3.320 -0.073 -7.597 1.00 0.00 N ATOM 441 CA VAL A 31 2.167 -0.323 -8.444 1.00 0.00 C ATOM 442 C VAL A 31 2.490 -1.460 -9.416 1.00 0.00 C ATOM 443 O VAL A 31 1.756 -2.444 -9.491 1.00 0.00 O ATOM 444 CB VAL A 31 1.748 0.967 -9.153 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.942 1.908 -9.328 1.00 0.00 C ATOM 446 CG2 VAL A 31 1.087 0.664 -10.498 1.00 0.00 C ATOM 0 H VAL A 31 3.505 0.912 -7.409 1.00 0.00 H new ATOM 0 HA VAL A 31 1.315 -0.640 -7.843 1.00 0.00 H new ATOM 0 HB VAL A 31 1.013 1.471 -8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.618 2.817 -9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.350 2.163 -8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.710 1.415 -9.924 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.799 1.598 -10.981 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.789 0.127 -11.136 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.201 0.050 -10.338 1.00 0.00 H new ATOM 456 N ARG A 32 3.589 -1.287 -10.135 1.00 0.00 N ATOM 457 CA ARG A 32 4.018 -2.286 -11.098 1.00 0.00 C ATOM 458 C ARG A 32 3.731 -3.693 -10.568 1.00 0.00 C ATOM 459 O ARG A 32 2.926 -4.424 -11.142 1.00 0.00 O ATOM 460 CB ARG A 32 5.513 -2.157 -11.397 1.00 0.00 C ATOM 461 CG ARG A 32 5.780 -1.008 -12.371 1.00 0.00 C ATOM 462 CD ARG A 32 6.195 -1.540 -13.745 1.00 0.00 C ATOM 463 NE ARG A 32 6.371 -0.415 -14.691 1.00 0.00 N ATOM 464 CZ ARG A 32 6.292 -0.534 -16.023 1.00 0.00 C ATOM 465 NH1 ARG A 32 6.040 -1.729 -16.575 1.00 0.00 N ATOM 466 NH2 ARG A 32 6.466 0.541 -16.803 1.00 0.00 N ATOM 0 H ARG A 32 4.195 -0.469 -10.070 1.00 0.00 H new ATOM 0 HA ARG A 32 3.459 -2.120 -12.019 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.060 -1.987 -10.469 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.885 -3.090 -11.819 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.884 -0.395 -12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.565 -0.365 -11.974 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.124 -2.104 -13.660 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.438 -2.228 -14.122 1.00 0.00 H new ATOM 0 HE ARG A 32 6.565 0.509 -14.304 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.908 -2.548 -15.981 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.980 -1.820 -17.589 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.659 1.450 -16.383 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.406 0.450 -17.817 1.00 0.00 H new ATOM 480 N PHE A 33 4.405 -4.029 -9.478 1.00 0.00 N ATOM 481 CA PHE A 33 4.232 -5.334 -8.864 1.00 0.00 C ATOM 482 C PHE A 33 2.749 -5.657 -8.671 1.00 0.00 C ATOM 483 O PHE A 33 2.319 -6.785 -8.912 1.00 0.00 O ATOM 484 CB PHE A 33 4.911 -5.277 -7.494 1.00 0.00 C ATOM 485 CG PHE A 33 4.964 -6.624 -6.769 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.838 -7.139 -6.208 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.138 -7.306 -6.686 1.00 0.00 C ATOM 488 CE1 PHE A 33 3.887 -8.389 -5.536 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.187 -8.555 -6.014 1.00 0.00 C ATOM 490 CZ PHE A 33 5.061 -9.070 -5.453 1.00 0.00 C ATOM 0 H PHE A 33 5.072 -3.420 -9.004 1.00 0.00 H new ATOM 0 HA PHE A 33 4.665 -6.105 -9.501 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.927 -4.903 -7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.382 -4.559 -6.867 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.906 -6.597 -6.273 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.033 -6.897 -7.131 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.992 -8.799 -5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.119 -9.096 -5.948 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.099 -10.020 -4.941 1.00 0.00 H new ATOM 500 N LEU A 34 2.007 -4.648 -8.240 1.00 0.00 N ATOM 501 CA LEU A 34 0.581 -4.811 -8.012 1.00 0.00 C ATOM 502 C LEU A 34 -0.119 -5.059 -9.350 1.00 0.00 C ATOM 503 O LEU A 34 -0.866 -6.025 -9.494 1.00 0.00 O ATOM 504 CB LEU A 34 0.022 -3.616 -7.238 1.00 0.00 C ATOM 505 CG LEU A 34 0.807 -3.197 -5.993 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.513 -1.742 -5.623 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.536 -4.151 -4.827 1.00 0.00 C ATOM 0 H LEU A 34 2.366 -3.714 -8.042 1.00 0.00 H new ATOM 0 HA LEU A 34 0.392 -5.683 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.031 -2.763 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.000 -3.848 -6.938 1.00 0.00 H new ATOM 0 HG LEU A 34 1.871 -3.262 -6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.084 -1.470 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.797 -1.092 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.552 -1.626 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.106 -3.831 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.528 -4.142 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.836 -5.161 -5.106 1.00 0.00 H new ATOM 519 N GLU A 35 0.148 -4.169 -10.295 1.00 0.00 N ATOM 520 CA GLU A 35 -0.447 -4.279 -11.616 1.00 0.00 C ATOM 521 C GLU A 35 -0.108 -5.634 -12.240 1.00 0.00 C ATOM 522 O GLU A 35 -0.996 -6.348 -12.703 1.00 0.00 O ATOM 523 CB GLU A 35 0.006 -3.130 -12.519 1.00 0.00 C ATOM 524 CG GLU A 35 -0.736 -1.837 -12.175 1.00 0.00 C ATOM 525 CD GLU A 35 -2.202 -1.915 -12.605 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.434 -2.352 -13.753 1.00 0.00 O ATOM 527 OE2 GLU A 35 -3.057 -1.535 -11.777 1.00 0.00 O ATOM 0 H GLU A 35 0.768 -3.369 -10.172 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.530 -4.210 -11.512 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.080 -2.978 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.174 -3.390 -13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.677 -1.654 -11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.253 -0.994 -12.669 1.00 0.00 H new ATOM 534 N ALA A 36 1.180 -5.947 -12.232 1.00 0.00 N ATOM 535 CA ALA A 36 1.648 -7.204 -12.791 1.00 0.00 C ATOM 536 C ALA A 36 0.972 -8.366 -12.060 1.00 0.00 C ATOM 537 O ALA A 36 0.801 -9.444 -12.625 1.00 0.00 O ATOM 538 CB ALA A 36 3.174 -7.266 -12.701 1.00 0.00 C ATOM 0 H ALA A 36 1.914 -5.352 -11.847 1.00 0.00 H new ATOM 0 HA ALA A 36 1.381 -7.279 -13.845 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.525 -8.209 -13.120 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.606 -6.437 -13.261 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.480 -7.197 -11.657 1.00 0.00 H new ATOM 544 N ASN A 37 0.608 -8.106 -10.813 1.00 0.00 N ATOM 545 CA ASN A 37 -0.045 -9.117 -9.998 1.00 0.00 C ATOM 546 C ASN A 37 -1.536 -8.793 -9.888 1.00 0.00 C ATOM 547 O ASN A 37 -2.240 -9.365 -9.058 1.00 0.00 O ATOM 548 CB ASN A 37 0.538 -9.145 -8.584 1.00 0.00 C ATOM 549 CG ASN A 37 1.846 -9.938 -8.545 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.866 -11.144 -8.363 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.934 -9.196 -8.727 1.00 0.00 N ATOM 0 H ASN A 37 0.753 -7.210 -10.347 1.00 0.00 H new ATOM 0 HA ASN A 37 0.112 -10.086 -10.473 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.716 -8.126 -8.240 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.182 -9.591 -7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.856 -9.632 -8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.847 -8.190 -8.874 1.00 0.00 H new ATOM 558 N LYS A 38 -1.974 -7.875 -10.738 1.00 0.00 N ATOM 559 CA LYS A 38 -3.368 -7.468 -10.747 1.00 0.00 C ATOM 560 C LYS A 38 -3.877 -7.374 -9.307 1.00 0.00 C ATOM 561 O LYS A 38 -4.888 -7.983 -8.960 1.00 0.00 O ATOM 562 CB LYS A 38 -4.194 -8.405 -11.630 1.00 0.00 C ATOM 563 CG LYS A 38 -3.978 -8.093 -13.113 1.00 0.00 C ATOM 564 CD LYS A 38 -4.953 -7.017 -13.595 1.00 0.00 C ATOM 565 CE LYS A 38 -6.355 -7.596 -13.794 1.00 0.00 C ATOM 566 NZ LYS A 38 -6.844 -7.312 -15.161 1.00 0.00 N ATOM 0 H LYS A 38 -1.387 -7.402 -11.425 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.472 -6.477 -11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.916 -9.440 -11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.251 -8.305 -11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.953 -7.758 -13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.112 -9.000 -13.702 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.991 -6.204 -12.869 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.595 -6.591 -14.532 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.338 -8.673 -13.624 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.039 -7.168 -13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.797 -7.712 -15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.879 -6.283 -15.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.200 -7.741 -15.856 1.00 0.00 H new ATOM 580 N ILE A 39 -3.153 -6.605 -8.507 1.00 0.00 N ATOM 581 CA ILE A 39 -3.518 -6.423 -7.112 1.00 0.00 C ATOM 582 C ILE A 39 -4.293 -5.112 -6.959 1.00 0.00 C ATOM 583 O ILE A 39 -4.128 -4.193 -7.760 1.00 0.00 O ATOM 584 CB ILE A 39 -2.280 -6.513 -6.218 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.688 -7.924 -6.242 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.596 -6.049 -4.795 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.398 -7.991 -5.422 1.00 0.00 C ATOM 0 H ILE A 39 -2.315 -6.101 -8.798 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.179 -7.225 -6.783 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.522 -5.838 -6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.413 -8.633 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.485 -8.220 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.699 -6.123 -4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.936 -5.014 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.378 -6.679 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.002 -9.004 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.334 -7.298 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.610 -7.718 -4.388 1.00 0.00 H new ATOM 599 N GLU A 40 -5.121 -5.069 -5.926 1.00 0.00 N ATOM 600 CA GLU A 40 -5.921 -3.886 -5.657 1.00 0.00 C ATOM 601 C GLU A 40 -5.050 -2.780 -5.059 1.00 0.00 C ATOM 602 O GLU A 40 -4.280 -3.025 -4.132 1.00 0.00 O ATOM 603 CB GLU A 40 -7.097 -4.217 -4.736 1.00 0.00 C ATOM 604 CG GLU A 40 -8.428 -3.830 -5.385 1.00 0.00 C ATOM 605 CD GLU A 40 -9.441 -3.379 -4.331 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.273 -3.799 -3.166 1.00 0.00 O ATOM 607 OE2 GLU A 40 -10.360 -2.623 -4.714 1.00 0.00 O ATOM 0 H GLU A 40 -5.255 -5.834 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.331 -3.527 -6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.096 -5.283 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.982 -3.688 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.266 -3.028 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.828 -4.680 -5.938 1.00 0.00 H new ATOM 614 N PHE A 41 -5.202 -1.586 -5.613 1.00 0.00 N ATOM 615 CA PHE A 41 -4.438 -0.442 -5.145 1.00 0.00 C ATOM 616 C PHE A 41 -4.793 0.816 -5.941 1.00 0.00 C ATOM 617 O PHE A 41 -5.607 0.764 -6.861 1.00 0.00 O ATOM 618 CB PHE A 41 -2.960 -0.770 -5.364 1.00 0.00 C ATOM 619 CG PHE A 41 -2.473 -0.520 -6.793 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.062 0.722 -7.164 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.450 -1.541 -7.692 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.609 0.953 -8.490 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.998 -1.309 -9.017 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.587 -0.067 -9.389 1.00 0.00 C ATOM 0 H PHE A 41 -5.843 -1.386 -6.381 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.660 -0.251 -4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.360 -0.173 -4.677 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.789 -1.816 -5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.080 1.533 -6.450 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.776 -2.528 -7.397 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.282 1.939 -8.785 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.980 -2.119 -9.731 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.243 0.109 -10.398 1.00 0.00 H new ATOM 634 N GLU A 42 -4.164 1.917 -5.557 1.00 0.00 N ATOM 635 CA GLU A 42 -4.403 3.186 -6.223 1.00 0.00 C ATOM 636 C GLU A 42 -3.209 4.123 -6.024 1.00 0.00 C ATOM 637 O GLU A 42 -2.583 4.120 -4.966 1.00 0.00 O ATOM 638 CB GLU A 42 -5.696 3.833 -5.723 1.00 0.00 C ATOM 639 CG GLU A 42 -5.580 4.223 -4.249 1.00 0.00 C ATOM 640 CD GLU A 42 -6.554 5.351 -3.901 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.463 6.405 -4.567 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.368 5.134 -2.978 1.00 0.00 O ATOM 0 H GLU A 42 -3.489 1.957 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.519 2.998 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.919 4.717 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.528 3.141 -5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.785 3.355 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.560 4.539 -4.032 1.00 0.00 H new ATOM 649 N GLU A 43 -2.930 4.902 -7.059 1.00 0.00 N ATOM 650 CA GLU A 43 -1.823 5.841 -7.012 1.00 0.00 C ATOM 651 C GLU A 43 -2.304 7.204 -6.509 1.00 0.00 C ATOM 652 O GLU A 43 -2.618 8.088 -7.304 1.00 0.00 O ATOM 653 CB GLU A 43 -1.152 5.968 -8.381 1.00 0.00 C ATOM 654 CG GLU A 43 -0.327 4.721 -8.705 1.00 0.00 C ATOM 655 CD GLU A 43 -0.530 4.292 -10.160 1.00 0.00 C ATOM 656 OE1 GLU A 43 -1.649 4.520 -10.668 1.00 0.00 O ATOM 657 OE2 GLU A 43 0.439 3.747 -10.731 1.00 0.00 O ATOM 0 H GLU A 43 -3.452 4.902 -7.935 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.078 5.459 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.911 6.116 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.509 6.848 -8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.729 4.922 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.614 3.907 -8.039 1.00 0.00 H new ATOM 664 N VAL A 44 -2.348 7.331 -5.191 1.00 0.00 N ATOM 665 CA VAL A 44 -2.785 8.571 -4.572 1.00 0.00 C ATOM 666 C VAL A 44 -1.759 9.668 -4.858 1.00 0.00 C ATOM 667 O VAL A 44 -0.878 9.928 -4.040 1.00 0.00 O ATOM 668 CB VAL A 44 -3.027 8.353 -3.077 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.203 9.687 -2.350 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.231 7.438 -2.843 1.00 0.00 C ATOM 0 H VAL A 44 -2.088 6.595 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.735 8.896 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.147 7.860 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.374 9.504 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.304 10.290 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.057 10.219 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.380 7.300 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.122 7.891 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.049 6.471 -3.312 1.00 0.00 H new ATOM 680 N ASP A 45 -1.907 10.284 -6.022 1.00 0.00 N ATOM 681 CA ASP A 45 -1.004 11.348 -6.427 1.00 0.00 C ATOM 682 C ASP A 45 -1.050 12.471 -5.390 1.00 0.00 C ATOM 683 O ASP A 45 -1.883 13.371 -5.481 1.00 0.00 O ATOM 684 CB ASP A 45 -1.415 11.935 -7.779 1.00 0.00 C ATOM 685 CG ASP A 45 -0.437 12.955 -8.365 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.200 13.661 -7.554 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.348 13.005 -9.611 1.00 0.00 O ATOM 0 H ASP A 45 -2.639 10.066 -6.698 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.001 10.928 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.535 11.119 -8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.390 12.410 -7.671 1.00 0.00 H new ATOM 692 N ILE A 46 -0.144 12.382 -4.427 1.00 0.00 N ATOM 693 CA ILE A 46 -0.070 13.381 -3.374 1.00 0.00 C ATOM 694 C ILE A 46 0.328 14.728 -3.980 1.00 0.00 C ATOM 695 O ILE A 46 -0.132 15.776 -3.529 1.00 0.00 O ATOM 696 CB ILE A 46 0.861 12.911 -2.254 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.308 12.827 -2.744 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.379 11.586 -1.660 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.241 12.369 -1.621 1.00 0.00 C ATOM 0 H ILE A 46 0.545 11.633 -4.354 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.047 13.517 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 46 0.834 13.651 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.372 12.132 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.628 13.801 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.058 11.275 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.623 11.714 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.358 10.824 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.263 12.318 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.192 13.079 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.933 11.384 -1.271 1.00 0.00 H new ATOM 711 N THR A 47 1.179 14.656 -4.994 1.00 0.00 N ATOM 712 CA THR A 47 1.644 15.857 -5.666 1.00 0.00 C ATOM 713 C THR A 47 0.457 16.675 -6.178 1.00 0.00 C ATOM 714 O THR A 47 0.455 17.901 -6.077 1.00 0.00 O ATOM 715 CB THR A 47 2.612 15.433 -6.773 1.00 0.00 C ATOM 716 OG1 THR A 47 3.892 15.465 -6.146 1.00 0.00 O ATOM 717 CG2 THR A 47 2.718 16.475 -7.889 1.00 0.00 C ATOM 0 H THR A 47 1.558 13.785 -5.366 1.00 0.00 H new ATOM 0 HA THR A 47 2.179 16.513 -4.979 1.00 0.00 H new ATOM 0 HB THR A 47 2.287 14.482 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.416 16.209 -6.509 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.417 16.125 -8.648 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.737 16.626 -8.340 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.075 17.418 -7.474 1.00 0.00 H new ATOM 725 N MET A 48 -0.523 15.965 -6.716 1.00 0.00 N ATOM 726 CA MET A 48 -1.713 16.610 -7.243 1.00 0.00 C ATOM 727 C MET A 48 -2.549 17.223 -6.117 1.00 0.00 C ATOM 728 O MET A 48 -2.836 18.419 -6.133 1.00 0.00 O ATOM 729 CB MET A 48 -2.555 15.585 -8.005 1.00 0.00 C ATOM 730 CG MET A 48 -1.968 15.314 -9.391 1.00 0.00 C ATOM 731 SD MET A 48 -2.370 16.656 -10.497 1.00 0.00 S ATOM 732 CE MET A 48 -0.730 17.246 -10.878 1.00 0.00 C ATOM 0 H MET A 48 -0.517 14.948 -6.798 1.00 0.00 H new ATOM 0 HA MET A 48 -1.402 17.409 -7.916 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.603 14.655 -7.438 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.577 15.951 -8.104 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.886 15.201 -9.321 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.362 14.377 -9.785 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.797 18.091 -11.563 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.235 17.562 -9.960 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.155 16.446 -11.344 1.00 0.00 H new ATOM 742 N SER A 49 -2.916 16.375 -5.168 1.00 0.00 N ATOM 743 CA SER A 49 -3.713 16.818 -4.037 1.00 0.00 C ATOM 744 C SER A 49 -2.820 17.009 -2.809 1.00 0.00 C ATOM 745 O SER A 49 -2.199 16.058 -2.336 1.00 0.00 O ATOM 746 CB SER A 49 -4.834 15.823 -3.728 1.00 0.00 C ATOM 747 OG SER A 49 -5.809 15.779 -4.766 1.00 0.00 O ATOM 0 H SER A 49 -2.676 15.384 -5.159 1.00 0.00 H new ATOM 0 HA SER A 49 -4.172 17.772 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.408 14.829 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.315 16.099 -2.790 1.00 0.00 H new ATOM 0 HG SER A 49 -6.507 15.131 -4.532 1.00 0.00 H new ATOM 753 N GLU A 50 -2.784 18.243 -2.329 1.00 0.00 N ATOM 754 CA GLU A 50 -1.977 18.570 -1.166 1.00 0.00 C ATOM 755 C GLU A 50 -2.420 17.737 0.039 1.00 0.00 C ATOM 756 O GLU A 50 -1.607 17.053 0.658 1.00 0.00 O ATOM 757 CB GLU A 50 -2.046 20.066 -0.853 1.00 0.00 C ATOM 758 CG GLU A 50 -1.200 20.409 0.374 1.00 0.00 C ATOM 759 CD GLU A 50 -0.373 21.675 0.134 1.00 0.00 C ATOM 760 OE1 GLU A 50 0.651 21.558 -0.573 1.00 0.00 O ATOM 761 OE2 GLU A 50 -0.785 22.730 0.663 1.00 0.00 O ATOM 0 H GLU A 50 -3.301 19.029 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.938 18.327 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.695 20.637 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.082 20.357 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.848 20.552 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.537 19.576 0.607 1.00 0.00 H new ATOM 768 N GLU A 51 -3.709 17.823 0.335 1.00 0.00 N ATOM 769 CA GLU A 51 -4.270 17.086 1.455 1.00 0.00 C ATOM 770 C GLU A 51 -3.654 15.688 1.532 1.00 0.00 C ATOM 771 O GLU A 51 -3.029 15.335 2.531 1.00 0.00 O ATOM 772 CB GLU A 51 -5.794 17.009 1.352 1.00 0.00 C ATOM 773 CG GLU A 51 -6.430 16.850 2.734 1.00 0.00 C ATOM 774 CD GLU A 51 -7.949 16.697 2.625 1.00 0.00 C ATOM 775 OE1 GLU A 51 -8.582 17.659 2.138 1.00 0.00 O ATOM 776 OE2 GLU A 51 -8.442 15.623 3.031 1.00 0.00 O ATOM 0 H GLU A 51 -4.381 18.391 -0.181 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.028 17.619 2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.176 17.911 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.077 16.168 0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.008 15.978 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.192 17.717 3.350 1.00 0.00 H new ATOM 783 N GLN A 52 -3.853 14.929 0.464 1.00 0.00 N ATOM 784 CA GLN A 52 -3.325 13.577 0.398 1.00 0.00 C ATOM 785 C GLN A 52 -1.934 13.518 1.033 1.00 0.00 C ATOM 786 O GLN A 52 -1.685 12.700 1.917 1.00 0.00 O ATOM 787 CB GLN A 52 -3.290 13.072 -1.046 1.00 0.00 C ATOM 788 CG GLN A 52 -4.699 12.999 -1.636 1.00 0.00 C ATOM 789 CD GLN A 52 -5.626 12.173 -0.741 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.560 10.956 -0.691 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.491 12.901 -0.040 1.00 0.00 N ATOM 0 H GLN A 52 -4.373 15.225 -0.362 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.988 12.921 0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.672 13.735 -1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.827 12.086 -1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.101 14.005 -1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.658 12.556 -2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.492 13.917 -0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.153 12.443 0.587 1.00 0.00 H new ATOM 800 N ARG A 53 -1.064 14.398 0.559 1.00 0.00 N ATOM 801 CA ARG A 53 0.295 14.457 1.069 1.00 0.00 C ATOM 802 C ARG A 53 0.286 14.775 2.566 1.00 0.00 C ATOM 803 O ARG A 53 0.834 14.019 3.368 1.00 0.00 O ATOM 804 CB ARG A 53 1.114 15.519 0.334 1.00 0.00 C ATOM 805 CG ARG A 53 2.604 15.169 0.346 1.00 0.00 C ATOM 806 CD ARG A 53 3.409 16.170 -0.484 1.00 0.00 C ATOM 807 NE ARG A 53 4.846 15.816 -0.449 1.00 0.00 N ATOM 808 CZ ARG A 53 5.809 16.524 -1.056 1.00 0.00 C ATOM 809 NH1 ARG A 53 5.494 17.627 -1.748 1.00 0.00 N ATOM 810 NH2 ARG A 53 7.086 16.128 -0.971 1.00 0.00 N ATOM 0 H ARG A 53 -1.274 15.076 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 53 0.754 13.482 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.765 15.604 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.961 16.491 0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.972 15.163 1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.748 14.164 -0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.051 16.172 -1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.265 17.178 -0.094 1.00 0.00 H new ATOM 0 HE ARG A 53 5.120 14.981 0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.522 17.928 -1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.227 18.166 -2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.325 15.288 -0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.819 16.667 -1.433 1.00 0.00 H new ATOM 824 N GLN A 54 -0.340 15.894 2.897 1.00 0.00 N ATOM 825 CA GLN A 54 -0.427 16.321 4.283 1.00 0.00 C ATOM 826 C GLN A 54 -0.828 15.146 5.176 1.00 0.00 C ATOM 827 O GLN A 54 -0.130 14.826 6.138 1.00 0.00 O ATOM 828 CB GLN A 54 -1.407 17.486 4.437 1.00 0.00 C ATOM 829 CG GLN A 54 -0.793 18.791 3.926 1.00 0.00 C ATOM 830 CD GLN A 54 0.559 19.058 4.592 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.649 19.376 5.766 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.601 18.912 3.778 1.00 0.00 N ATOM 0 H GLN A 54 -0.792 16.518 2.229 1.00 0.00 H new ATOM 0 HA GLN A 54 0.556 16.672 4.597 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.323 17.271 3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.684 17.596 5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.666 18.738 2.845 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.472 19.620 4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.454 18.644 2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.547 19.068 4.127 1.00 0.00 H new ATOM 841 N TRP A 55 -1.951 14.534 4.828 1.00 0.00 N ATOM 842 CA TRP A 55 -2.453 13.401 5.586 1.00 0.00 C ATOM 843 C TRP A 55 -1.302 12.411 5.774 1.00 0.00 C ATOM 844 O TRP A 55 -1.037 11.965 6.889 1.00 0.00 O ATOM 845 CB TRP A 55 -3.671 12.779 4.901 1.00 0.00 C ATOM 846 CG TRP A 55 -4.288 11.609 5.670 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.315 11.638 6.531 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.873 10.228 5.612 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.590 10.381 7.031 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.686 9.497 6.454 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.845 9.617 4.873 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.555 8.115 6.636 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.727 8.236 5.067 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.537 7.485 5.910 1.00 0.00 C ATOM 0 H TRP A 55 -2.528 14.802 4.030 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.803 13.719 6.568 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.430 13.549 4.762 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.380 12.435 3.908 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.859 12.532 6.800 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.322 10.144 7.701 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.198 10.170 4.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.204 7.565 7.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.951 7.717 4.523 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.382 6.420 6.005 1.00 0.00 H new ATOM 865 N MET A 56 -0.649 12.094 4.665 1.00 0.00 N ATOM 866 CA MET A 56 0.467 11.165 4.693 1.00 0.00 C ATOM 867 C MET A 56 1.495 11.574 5.749 1.00 0.00 C ATOM 868 O MET A 56 1.966 10.739 6.520 1.00 0.00 O ATOM 869 CB MET A 56 1.135 11.127 3.317 1.00 0.00 C ATOM 870 CG MET A 56 2.018 9.886 3.170 1.00 0.00 C ATOM 871 SD MET A 56 2.849 9.912 1.590 1.00 0.00 S ATOM 872 CE MET A 56 3.869 11.361 1.801 1.00 0.00 C ATOM 0 H MET A 56 -0.872 12.465 3.741 1.00 0.00 H new ATOM 0 HA MET A 56 0.086 10.176 4.949 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.372 11.129 2.538 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.737 12.025 3.176 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.752 9.854 3.976 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.411 8.985 3.256 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.767 11.266 1.191 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.313 12.246 1.492 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.151 11.458 2.849 1.00 0.00 H new ATOM 882 N TYR A 57 1.814 12.860 5.751 1.00 0.00 N ATOM 883 CA TYR A 57 2.778 13.391 6.700 1.00 0.00 C ATOM 884 C TYR A 57 2.242 13.307 8.131 1.00 0.00 C ATOM 885 O TYR A 57 2.967 13.581 9.086 1.00 0.00 O ATOM 886 CB TYR A 57 2.972 14.862 6.326 1.00 0.00 C ATOM 887 CG TYR A 57 3.881 15.082 5.116 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.086 14.059 4.212 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.497 16.302 4.927 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.941 14.266 3.072 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.353 16.509 3.788 1.00 0.00 C ATOM 892 CZ TYR A 57 5.533 15.480 2.916 1.00 0.00 C ATOM 893 OH TYR A 57 6.341 15.676 1.840 1.00 0.00 O ATOM 0 H TYR A 57 1.422 13.550 5.110 1.00 0.00 H new ATOM 0 HA TYR A 57 3.708 12.824 6.661 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.998 15.306 6.121 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.390 15.392 7.182 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.605 13.103 4.360 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.337 17.102 5.634 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.108 13.474 2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.841 17.459 3.629 1.00 0.00 H new ATOM 0 HH TYR A 57 6.978 14.934 1.770 1.00 0.00 H new ATOM 903 N LYS A 58 0.977 12.928 8.234 1.00 0.00 N ATOM 904 CA LYS A 58 0.335 12.805 9.532 1.00 0.00 C ATOM 905 C LYS A 58 0.158 11.323 9.869 1.00 0.00 C ATOM 906 O LYS A 58 -0.270 10.981 10.971 1.00 0.00 O ATOM 907 CB LYS A 58 -0.969 13.603 9.562 1.00 0.00 C ATOM 908 CG LYS A 58 -0.702 15.099 9.384 1.00 0.00 C ATOM 909 CD LYS A 58 -1.568 15.928 10.333 1.00 0.00 C ATOM 910 CE LYS A 58 -1.929 17.277 9.708 1.00 0.00 C ATOM 911 NZ LYS A 58 -0.723 18.122 9.565 1.00 0.00 N ATOM 0 H LYS A 58 0.379 12.702 7.439 1.00 0.00 H new ATOM 0 HA LYS A 58 0.963 13.237 10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.632 13.252 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.482 13.432 10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.351 15.309 9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.907 15.388 8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.479 15.379 10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.036 16.088 11.271 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.388 17.121 8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.666 17.787 10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.986 19.034 9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.301 18.286 10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.033 17.641 8.954 1.00 0.00 H new ATOM 925 N ASN A 59 0.496 10.484 8.901 1.00 0.00 N ATOM 926 CA ASN A 59 0.379 9.047 9.082 1.00 0.00 C ATOM 927 C ASN A 59 1.738 8.393 8.824 1.00 0.00 C ATOM 928 O ASN A 59 1.809 7.309 8.246 1.00 0.00 O ATOM 929 CB ASN A 59 -0.629 8.448 8.099 1.00 0.00 C ATOM 930 CG ASN A 59 -2.043 8.957 8.385 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.967 8.198 8.625 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.159 10.282 8.347 1.00 0.00 N ATOM 0 H ASN A 59 0.851 10.772 7.989 1.00 0.00 H new ATOM 0 HA ASN A 59 0.041 8.862 10.102 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.345 8.706 7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.609 7.360 8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.063 10.720 8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.344 10.860 8.140 1.00 0.00 H new ATOM 939 N VAL A 60 2.782 9.079 9.264 1.00 0.00 N ATOM 940 CA VAL A 60 4.135 8.578 9.087 1.00 0.00 C ATOM 941 C VAL A 60 5.020 9.102 10.219 1.00 0.00 C ATOM 942 O VAL A 60 5.243 10.307 10.331 1.00 0.00 O ATOM 943 CB VAL A 60 4.655 8.954 7.698 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.141 8.618 7.560 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.834 8.272 6.602 1.00 0.00 C ATOM 0 H VAL A 60 2.719 9.977 9.743 1.00 0.00 H new ATOM 0 HA VAL A 60 4.149 7.489 9.141 1.00 0.00 H new ATOM 0 HB VAL A 60 4.543 10.032 7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.486 8.895 6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.710 9.171 8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.288 7.548 7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.224 8.556 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.899 7.190 6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.792 8.583 6.681 1.00 0.00 H new ATOM 955 N PRO A 61 5.514 8.147 11.053 1.00 0.00 N ATOM 956 CA PRO A 61 6.370 8.501 12.172 1.00 0.00 C ATOM 957 C PRO A 61 7.778 8.860 11.694 1.00 0.00 C ATOM 958 O PRO A 61 8.103 8.682 10.521 1.00 0.00 O ATOM 959 CB PRO A 61 6.344 7.286 13.086 1.00 0.00 C ATOM 960 CG PRO A 61 5.856 6.130 12.228 1.00 0.00 C ATOM 961 CD PRO A 61 5.271 6.711 10.951 1.00 0.00 C ATOM 0 HA PRO A 61 6.025 9.389 12.701 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.335 7.081 13.491 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.680 7.450 13.935 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.678 5.452 11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.104 5.549 12.762 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.751 6.290 10.068 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.206 6.494 10.869 1.00 0.00 H new ATOM 969 N PRO A 62 8.597 9.372 12.651 1.00 0.00 N ATOM 970 CA PRO A 62 9.963 9.757 12.340 1.00 0.00 C ATOM 971 C PRO A 62 10.858 8.527 12.183 1.00 0.00 C ATOM 972 O PRO A 62 11.831 8.554 11.431 1.00 0.00 O ATOM 973 CB PRO A 62 10.388 10.659 13.487 1.00 0.00 C ATOM 974 CG PRO A 62 9.420 10.374 14.623 1.00 0.00 C ATOM 975 CD PRO A 62 8.246 9.596 14.050 1.00 0.00 C ATOM 0 HA PRO A 62 10.046 10.280 11.387 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.415 10.451 13.788 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.348 11.708 13.194 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.911 9.800 15.409 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.077 11.305 15.075 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.100 8.653 14.578 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.317 10.158 14.140 1.00 0.00 H new ATOM 983 N GLU A 63 10.497 7.476 12.906 1.00 0.00 N ATOM 984 CA GLU A 63 11.256 6.238 12.857 1.00 0.00 C ATOM 985 C GLU A 63 11.110 5.580 11.483 1.00 0.00 C ATOM 986 O GLU A 63 11.952 4.778 11.083 1.00 0.00 O ATOM 987 CB GLU A 63 10.820 5.284 13.971 1.00 0.00 C ATOM 988 CG GLU A 63 9.631 4.430 13.527 1.00 0.00 C ATOM 989 CD GLU A 63 8.993 3.716 14.720 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.083 4.323 15.325 1.00 0.00 O ATOM 991 OE2 GLU A 63 9.429 2.579 15.001 1.00 0.00 O ATOM 0 H GLU A 63 9.689 7.457 13.529 1.00 0.00 H new ATOM 0 HA GLU A 63 12.309 6.473 13.016 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.653 4.638 14.248 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.550 5.855 14.859 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.889 5.060 13.037 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.961 3.695 12.793 1.00 0.00 H new ATOM 998 N LYS A 64 10.036 5.945 10.799 1.00 0.00 N ATOM 999 CA LYS A 64 9.769 5.401 9.478 1.00 0.00 C ATOM 1000 C LYS A 64 10.176 6.425 8.417 1.00 0.00 C ATOM 1001 O LYS A 64 10.563 6.057 7.309 1.00 0.00 O ATOM 1002 CB LYS A 64 8.311 4.949 9.370 1.00 0.00 C ATOM 1003 CG LYS A 64 8.010 3.825 10.363 1.00 0.00 C ATOM 1004 CD LYS A 64 8.753 2.543 9.981 1.00 0.00 C ATOM 1005 CE LYS A 64 7.989 1.305 10.454 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.918 0.318 11.048 1.00 0.00 N ATOM 0 H LYS A 64 9.340 6.611 11.135 1.00 0.00 H new ATOM 0 HA LYS A 64 10.369 4.508 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.650 5.794 9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.107 4.607 8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.302 4.134 11.367 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.937 3.634 10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.884 2.503 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.749 2.551 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.237 1.593 11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.459 0.855 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.383 -0.516 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.620 0.030 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.405 0.745 11.862 1.00 0.00 H new ATOM 1020 N LYS A 65 10.075 7.692 8.794 1.00 0.00 N ATOM 1021 CA LYS A 65 10.428 8.772 7.888 1.00 0.00 C ATOM 1022 C LYS A 65 11.685 8.386 7.106 1.00 0.00 C ATOM 1023 O LYS A 65 12.735 8.134 7.695 1.00 0.00 O ATOM 1024 CB LYS A 65 10.561 10.090 8.653 1.00 0.00 C ATOM 1025 CG LYS A 65 9.247 10.873 8.630 1.00 0.00 C ATOM 1026 CD LYS A 65 9.369 12.174 9.426 1.00 0.00 C ATOM 1027 CE LYS A 65 8.092 12.452 10.221 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.232 13.699 11.007 1.00 0.00 N ATOM 0 H LYS A 65 9.754 7.994 9.714 1.00 0.00 H new ATOM 0 HA LYS A 65 9.634 8.932 7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.850 9.888 9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.355 10.692 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.972 11.098 7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.448 10.261 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.218 12.110 10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.566 13.003 8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.244 12.537 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.883 11.616 10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.357 13.873 11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.028 13.604 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.410 14.497 10.364 1.00 0.00 H new ATOM 1042 N PRO A 66 11.532 8.350 5.755 1.00 0.00 N ATOM 1043 CA PRO A 66 12.642 7.999 4.885 1.00 0.00 C ATOM 1044 C PRO A 66 13.640 9.153 4.776 1.00 0.00 C ATOM 1045 O PRO A 66 13.631 10.066 5.600 1.00 0.00 O ATOM 1046 CB PRO A 66 12.001 7.640 3.554 1.00 0.00 C ATOM 1047 CG PRO A 66 10.608 8.248 3.586 1.00 0.00 C ATOM 1048 CD PRO A 66 10.304 8.642 5.022 1.00 0.00 C ATOM 0 HA PRO A 66 13.228 7.163 5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.581 8.037 2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.953 6.559 3.423 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.556 9.119 2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.871 7.532 3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.040 9.697 5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.462 8.075 5.418 1.00 0.00 H new ATOM 1094 N ASN A 70 10.639 15.583 6.133 1.00 0.00 N ATOM 1095 CA ASN A 70 9.282 15.136 5.872 1.00 0.00 C ATOM 1096 C ASN A 70 9.324 13.803 5.123 1.00 0.00 C ATOM 1097 O ASN A 70 10.327 13.471 4.493 1.00 0.00 O ATOM 1098 CB ASN A 70 8.528 16.143 5.002 1.00 0.00 C ATOM 1099 CG ASN A 70 9.466 16.806 3.992 1.00 0.00 C ATOM 1100 OD1 ASN A 70 9.887 15.991 3.029 1.00 0.00 O flip ATOM 1101 ND2 ASN A 70 9.787 17.980 4.081 1.00 0.00 N flip ATOM 0 HA ASN A 70 8.771 15.033 6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.718 15.639 4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.071 16.905 5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.427 18.550 4.846 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.415 18.391 3.390 1.00 0.00 H new ATOM 1108 N PRO A 71 8.192 13.054 5.219 1.00 0.00 N ATOM 1109 CA PRO A 71 8.091 11.764 4.558 1.00 0.00 C ATOM 1110 C PRO A 71 7.892 11.934 3.051 1.00 0.00 C ATOM 1111 O PRO A 71 7.246 12.883 2.610 1.00 0.00 O ATOM 1112 CB PRO A 71 6.923 11.065 5.237 1.00 0.00 C ATOM 1113 CG PRO A 71 6.126 12.161 5.925 1.00 0.00 C ATOM 1114 CD PRO A 71 6.985 13.414 5.956 1.00 0.00 C ATOM 0 HA PRO A 71 9.001 11.171 4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.309 10.533 4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.275 10.327 5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.196 12.350 5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.856 11.858 6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.473 14.256 5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.219 13.709 6.979 1.00 0.00 H new ATOM 1122 N LEU A 72 8.458 10.999 2.302 1.00 0.00 N ATOM 1123 CA LEU A 72 8.351 11.034 0.854 1.00 0.00 C ATOM 1124 C LEU A 72 7.872 9.672 0.349 1.00 0.00 C ATOM 1125 O LEU A 72 8.013 8.665 1.041 1.00 0.00 O ATOM 1126 CB LEU A 72 9.671 11.491 0.229 1.00 0.00 C ATOM 1127 CG LEU A 72 10.134 12.903 0.597 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.582 13.135 0.162 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.186 13.957 0.022 1.00 0.00 C ATOM 0 H LEU A 72 8.992 10.212 2.671 1.00 0.00 H new ATOM 0 HA LEU A 72 7.607 11.769 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.451 10.787 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.576 11.432 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 72 10.104 13.001 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.886 14.145 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.231 12.414 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.662 13.011 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.537 14.951 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.160 13.869 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.184 13.802 0.422 1.00 0.00 H new ATOM 1141 N PRO A 73 7.299 9.684 -0.885 1.00 0.00 N ATOM 1142 CA PRO A 73 6.798 8.462 -1.490 1.00 0.00 C ATOM 1143 C PRO A 73 7.948 7.588 -1.994 1.00 0.00 C ATOM 1144 O PRO A 73 9.095 8.031 -2.041 1.00 0.00 O ATOM 1145 CB PRO A 73 5.872 8.925 -2.602 1.00 0.00 C ATOM 1146 CG PRO A 73 6.246 10.372 -2.881 1.00 0.00 C ATOM 1147 CD PRO A 73 7.115 10.858 -1.733 1.00 0.00 C ATOM 0 HA PRO A 73 6.263 7.830 -0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.995 8.311 -3.494 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.828 8.843 -2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.783 10.452 -3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.351 10.988 -2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.070 11.240 -2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.633 11.669 -1.187 1.00 0.00 H new ATOM 1155 N PRO A 74 7.593 6.330 -2.369 1.00 0.00 N ATOM 1156 CA PRO A 74 6.212 5.885 -2.282 1.00 0.00 C ATOM 1157 C PRO A 74 5.818 5.602 -0.831 1.00 0.00 C ATOM 1158 O PRO A 74 6.679 5.372 0.016 1.00 0.00 O ATOM 1159 CB PRO A 74 6.139 4.653 -3.169 1.00 0.00 C ATOM 1160 CG PRO A 74 7.574 4.183 -3.348 1.00 0.00 C ATOM 1161 CD PRO A 74 8.492 5.302 -2.883 1.00 0.00 C ATOM 0 HA PRO A 74 5.504 6.643 -2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.528 3.876 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.683 4.890 -4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.754 3.277 -2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.768 3.939 -4.392 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.179 4.955 -2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.100 5.682 -3.704 1.00 0.00 H new ATOM 1169 N GLN A 75 4.515 5.628 -0.590 1.00 0.00 N ATOM 1170 CA GLN A 75 3.996 5.377 0.744 1.00 0.00 C ATOM 1171 C GLN A 75 2.721 4.535 0.667 1.00 0.00 C ATOM 1172 O GLN A 75 1.618 5.076 0.616 1.00 0.00 O ATOM 1173 CB GLN A 75 3.744 6.688 1.490 1.00 0.00 C ATOM 1174 CG GLN A 75 5.061 7.381 1.843 1.00 0.00 C ATOM 1175 CD GLN A 75 5.433 7.140 3.307 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.589 6.922 4.161 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.740 7.192 3.549 1.00 0.00 N ATOM 0 H GLN A 75 3.804 5.819 -1.296 1.00 0.00 H new ATOM 0 HA GLN A 75 4.744 4.817 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.135 7.350 0.874 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.178 6.489 2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.856 7.010 1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.974 8.452 1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.393 7.379 2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.090 7.045 4.496 1.00 0.00 H new ATOM 1186 N ILE A 76 2.914 3.224 0.662 1.00 0.00 N ATOM 1187 CA ILE A 76 1.793 2.302 0.593 1.00 0.00 C ATOM 1188 C ILE A 76 0.915 2.480 1.833 1.00 0.00 C ATOM 1189 O ILE A 76 1.425 2.649 2.940 1.00 0.00 O ATOM 1190 CB ILE A 76 2.290 0.869 0.390 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.008 0.722 -0.953 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.145 -0.134 0.541 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.522 0.624 -0.757 1.00 0.00 C ATOM 0 H ILE A 76 3.830 2.778 0.705 1.00 0.00 H new ATOM 0 HA ILE A 76 1.169 2.524 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 76 3.018 0.646 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.646 -0.168 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.775 1.575 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.525 -1.145 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.718 -0.050 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.376 0.078 -0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.008 0.520 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.884 1.526 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.754 -0.244 -0.140 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.389 2.436 1.606 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.343 2.589 2.692 1.00 0.00 C ATOM 1207 C PHE A 77 -2.634 1.821 2.400 1.00 0.00 C ATOM 1208 O PHE A 77 -3.377 2.174 1.486 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.664 4.081 2.797 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.739 4.852 3.741 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.848 4.685 5.086 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.193 5.703 3.234 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.011 5.400 5.962 1.00 0.00 C ATOM 1214 CE2 PHE A 77 1.052 6.418 4.110 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.943 6.252 5.455 1.00 0.00 C ATOM 0 H PHE A 77 -0.808 2.297 0.686 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.920 2.197 3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.605 4.526 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.693 4.198 3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.588 4.009 5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.280 5.835 2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.075 5.268 7.030 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.792 7.094 3.708 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.596 6.796 6.121 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.861 0.786 3.195 1.00 0.00 N ATOM 1226 CA ASN A 78 -4.049 -0.035 3.033 1.00 0.00 C ATOM 1227 C ASN A 78 -5.241 0.667 3.687 1.00 0.00 C ATOM 1228 O ASN A 78 -5.567 0.399 4.842 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.874 -1.397 3.709 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.827 -2.433 3.109 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -6.033 -2.254 3.067 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.220 -3.523 2.649 1.00 0.00 N ATOM 0 H ASN A 78 -2.243 0.497 3.953 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.215 -0.181 1.966 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.844 -1.735 3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -4.060 -1.303 4.779 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.769 -4.274 2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.206 -3.608 2.716 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.860 1.552 2.919 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.009 2.295 3.409 1.00 0.00 C ATOM 1241 C GLY A 79 -6.725 2.897 4.787 1.00 0.00 C ATOM 1242 O GLY A 79 -7.298 2.466 5.786 1.00 0.00 O ATOM 0 H GLY A 79 -5.587 1.771 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.260 3.089 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.875 1.636 3.468 1.00 0.00 H new ATOM 1246 N ASP A 80 -5.841 3.884 4.795 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.475 4.550 6.033 1.00 0.00 C ATOM 1248 C ASP A 80 -4.349 3.769 6.714 1.00 0.00 C ATOM 1249 O ASP A 80 -3.376 4.357 7.182 1.00 0.00 O ATOM 1250 CB ASP A 80 -6.660 4.609 6.998 1.00 0.00 C ATOM 1251 CG ASP A 80 -6.613 5.755 8.011 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -5.872 5.602 9.006 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -7.320 6.757 7.768 1.00 0.00 O ATOM 0 H ASP A 80 -5.368 4.238 3.964 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.158 5.564 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.578 4.695 6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.714 3.666 7.541 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.520 2.456 6.747 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.531 1.588 7.363 1.00 0.00 C ATOM 1260 C ARG A 81 -2.148 1.851 6.763 1.00 0.00 C ATOM 1261 O ARG A 81 -1.983 1.843 5.544 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.892 0.114 7.166 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.595 -0.696 8.429 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.848 -1.423 8.922 1.00 0.00 C ATOM 1265 NE ARG A 81 -4.575 -2.078 10.220 1.00 0.00 N ATOM 1266 CZ ARG A 81 -5.500 -2.721 10.947 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -6.763 -2.798 10.506 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -5.162 -3.286 12.113 1.00 0.00 N ATOM 0 H ARG A 81 -5.329 1.972 6.357 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.516 1.807 8.431 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.948 0.025 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.328 -0.293 6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.807 -1.421 8.224 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.223 -0.034 9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.671 -0.716 9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.159 -2.167 8.188 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.623 -2.038 10.585 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.020 -2.368 9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.467 -3.287 11.059 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.201 -3.227 12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.866 -3.775 12.666 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.188 2.079 7.648 1.00 0.00 N ATOM 1283 CA TYR A 82 0.175 2.344 7.222 1.00 0.00 C ATOM 1284 C TYR A 82 0.915 1.042 6.908 1.00 0.00 C ATOM 1285 O TYR A 82 1.297 0.306 7.816 1.00 0.00 O ATOM 1286 CB TYR A 82 0.860 3.033 8.404 1.00 0.00 C ATOM 1287 CG TYR A 82 2.293 3.486 8.115 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.724 3.622 6.811 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.153 3.760 9.159 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.072 4.049 6.539 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.501 4.187 8.887 1.00 0.00 C ATOM 1292 CZ TYR A 82 4.894 4.311 7.590 1.00 0.00 C ATOM 1293 OH TYR A 82 6.167 4.714 7.334 1.00 0.00 O ATOM 0 H TYR A 82 -1.328 2.086 8.658 1.00 0.00 H new ATOM 0 HA TYR A 82 0.182 2.955 6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.268 3.900 8.699 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.870 2.350 9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.050 3.408 5.995 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.815 3.654 10.179 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.422 4.159 5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.185 4.404 9.694 1.00 0.00 H new ATOM 0 HH TYR A 82 6.191 5.204 6.486 1.00 0.00 H new ATOM 1303 N CYS A 83 1.094 0.797 5.618 1.00 0.00 N ATOM 1304 CA CYS A 83 1.781 -0.404 5.172 1.00 0.00 C ATOM 1305 C CYS A 83 3.282 -0.210 5.397 1.00 0.00 C ATOM 1306 O CYS A 83 3.877 -0.872 6.245 1.00 0.00 O ATOM 1307 CB CYS A 83 1.459 -0.730 3.713 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.325 -1.094 3.531 1.00 0.00 S ATOM 0 H CYS A 83 0.775 1.410 4.867 1.00 0.00 H new ATOM 0 HA CYS A 83 1.436 -1.261 5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.734 0.110 3.075 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.048 -1.586 3.385 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.547 -2.339 3.831 1.00 0.00 H new ATOM 1314 N GLY A 84 3.851 0.701 4.620 1.00 0.00 N ATOM 1315 CA GLY A 84 5.271 0.991 4.724 1.00 0.00 C ATOM 1316 C GLY A 84 5.802 1.598 3.424 1.00 0.00 C ATOM 1317 O GLY A 84 5.178 1.466 2.372 1.00 0.00 O ATOM 0 H GLY A 84 3.354 1.247 3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.446 1.681 5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.817 0.076 4.952 1.00 0.00 H new ATOM 1321 N ASP A 85 6.950 2.250 3.539 1.00 0.00 N ATOM 1322 CA ASP A 85 7.573 2.878 2.386 1.00 0.00 C ATOM 1323 C ASP A 85 8.210 1.801 1.506 1.00 0.00 C ATOM 1324 O ASP A 85 8.219 0.625 1.867 1.00 0.00 O ATOM 1325 CB ASP A 85 8.673 3.850 2.815 1.00 0.00 C ATOM 1326 CG ASP A 85 9.858 3.207 3.539 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.643 2.127 4.130 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.951 3.811 3.485 1.00 0.00 O ATOM 0 H ASP A 85 7.465 2.357 4.413 1.00 0.00 H new ATOM 0 HA ASP A 85 6.802 3.424 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.044 4.368 1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.235 4.606 3.467 1.00 0.00 H new ATOM 1333 N TYR A 86 8.729 2.241 0.369 1.00 0.00 N ATOM 1334 CA TYR A 86 9.367 1.329 -0.565 1.00 0.00 C ATOM 1335 C TYR A 86 10.280 0.344 0.168 1.00 0.00 C ATOM 1336 O TYR A 86 10.319 -0.839 -0.166 1.00 0.00 O ATOM 1337 CB TYR A 86 10.217 2.201 -1.491 1.00 0.00 C ATOM 1338 CG TYR A 86 11.330 1.440 -2.214 1.00 0.00 C ATOM 1339 CD1 TYR A 86 11.063 0.787 -3.400 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.602 1.407 -1.679 1.00 0.00 C ATOM 1341 CE1 TYR A 86 12.111 0.071 -4.080 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.650 0.690 -2.359 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.353 0.058 -3.526 1.00 0.00 C ATOM 1344 OH TYR A 86 14.342 -0.619 -4.169 1.00 0.00 O ATOM 0 H TYR A 86 8.721 3.217 0.073 1.00 0.00 H new ATOM 0 HA TYR A 86 8.620 0.749 -1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.568 2.666 -2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.662 3.007 -0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 86 10.068 0.813 -3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.811 1.918 -0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.915 -0.444 -5.009 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.649 0.655 -1.951 1.00 0.00 H new ATOM 0 HH TYR A 86 14.289 -1.571 -3.941 1.00 0.00 H new ATOM 1354 N ASP A 87 10.993 0.869 1.154 1.00 0.00 N ATOM 1355 CA ASP A 87 11.903 0.050 1.938 1.00 0.00 C ATOM 1356 C ASP A 87 11.169 -1.203 2.418 1.00 0.00 C ATOM 1357 O ASP A 87 11.639 -2.321 2.208 1.00 0.00 O ATOM 1358 CB ASP A 87 12.403 0.807 3.170 1.00 0.00 C ATOM 1359 CG ASP A 87 13.850 1.296 3.085 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.188 1.893 2.040 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.586 1.061 4.068 1.00 0.00 O ATOM 0 H ASP A 87 10.959 1.851 1.428 1.00 0.00 H new ATOM 0 HA ASP A 87 12.752 -0.210 1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.754 1.667 3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.305 0.159 4.041 1.00 0.00 H new ATOM 1366 N SER A 88 10.030 -0.976 3.054 1.00 0.00 N ATOM 1367 CA SER A 88 9.227 -2.073 3.567 1.00 0.00 C ATOM 1368 C SER A 88 8.856 -3.026 2.429 1.00 0.00 C ATOM 1369 O SER A 88 9.080 -4.232 2.526 1.00 0.00 O ATOM 1370 CB SER A 88 7.963 -1.556 4.258 1.00 0.00 C ATOM 1371 OG SER A 88 8.261 -0.880 5.476 1.00 0.00 O ATOM 0 H SER A 88 9.643 -0.048 3.226 1.00 0.00 H new ATOM 0 HA SER A 88 9.818 -2.612 4.307 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.434 -0.879 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.293 -2.391 4.461 1.00 0.00 H new ATOM 0 HG SER A 88 7.458 -0.846 6.036 1.00 0.00 H new ATOM 1377 N PHE A 89 8.296 -2.450 1.375 1.00 0.00 N ATOM 1378 CA PHE A 89 7.893 -3.233 0.220 1.00 0.00 C ATOM 1379 C PHE A 89 9.013 -4.177 -0.221 1.00 0.00 C ATOM 1380 O PHE A 89 8.834 -5.394 -0.238 1.00 0.00 O ATOM 1381 CB PHE A 89 7.601 -2.245 -0.911 1.00 0.00 C ATOM 1382 CG PHE A 89 7.180 -2.908 -2.224 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.997 -3.574 -2.301 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.989 -2.831 -3.315 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.606 -4.189 -3.519 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.598 -3.446 -4.533 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.415 -4.112 -4.610 1.00 0.00 C ATOM 0 H PHE A 89 8.112 -1.450 1.297 1.00 0.00 H new ATOM 0 HA PHE A 89 7.021 -3.838 0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.812 -1.565 -0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.490 -1.641 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.355 -3.635 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.929 -2.302 -3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.666 -4.718 -3.580 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.240 -3.385 -5.399 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.118 -4.580 -5.537 1.00 0.00 H new ATOM 1397 N PHE A 90 10.145 -3.581 -0.567 1.00 0.00 N ATOM 1398 CA PHE A 90 11.294 -4.353 -1.007 1.00 0.00 C ATOM 1399 C PHE A 90 11.651 -5.434 0.015 1.00 0.00 C ATOM 1400 O PHE A 90 11.695 -6.618 -0.317 1.00 0.00 O ATOM 1401 CB PHE A 90 12.467 -3.378 -1.131 1.00 0.00 C ATOM 1402 CG PHE A 90 13.682 -3.957 -1.860 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.585 -4.714 -1.181 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.858 -3.714 -3.186 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.712 -5.250 -1.857 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.986 -4.250 -3.862 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.889 -5.007 -3.183 1.00 0.00 C ATOM 0 H PHE A 90 10.291 -2.572 -0.551 1.00 0.00 H new ATOM 0 HA PHE A 90 11.072 -4.845 -1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.130 -2.486 -1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.771 -3.062 -0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.445 -4.907 -0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.140 -3.114 -3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.429 -5.851 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 90 15.127 -4.057 -4.915 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.747 -5.415 -3.697 1.00 0.00 H new ATOM 1417 N GLU A 91 11.898 -4.989 1.239 1.00 0.00 N ATOM 1418 CA GLU A 91 12.250 -5.904 2.311 1.00 0.00 C ATOM 1419 C GLU A 91 11.297 -7.101 2.323 1.00 0.00 C ATOM 1420 O GLU A 91 11.725 -8.238 2.508 1.00 0.00 O ATOM 1421 CB GLU A 91 12.249 -5.189 3.664 1.00 0.00 C ATOM 1422 CG GLU A 91 13.588 -5.369 4.380 1.00 0.00 C ATOM 1423 CD GLU A 91 13.381 -5.850 5.818 1.00 0.00 C ATOM 1424 OE1 GLU A 91 12.373 -5.420 6.420 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.235 -6.635 6.283 1.00 0.00 O ATOM 0 H GLU A 91 11.861 -4.007 1.512 1.00 0.00 H new ATOM 0 HA GLU A 91 13.260 -6.271 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.050 -4.127 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.444 -5.581 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.201 -6.088 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.132 -4.425 4.383 1.00 0.00 H new ATOM 1432 N SER A 92 10.021 -6.802 2.122 1.00 0.00 N ATOM 1433 CA SER A 92 9.004 -7.840 2.107 1.00 0.00 C ATOM 1434 C SER A 92 9.054 -8.603 0.782 1.00 0.00 C ATOM 1435 O SER A 92 8.658 -9.765 0.715 1.00 0.00 O ATOM 1436 CB SER A 92 7.610 -7.247 2.326 1.00 0.00 C ATOM 1437 OG SER A 92 7.247 -7.232 3.704 1.00 0.00 O ATOM 0 H SER A 92 9.669 -5.857 1.968 1.00 0.00 H new ATOM 0 HA SER A 92 9.208 -8.531 2.924 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.582 -6.231 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.877 -7.826 1.764 1.00 0.00 H new ATOM 0 HG SER A 92 7.030 -8.142 3.995 1.00 0.00 H new ATOM 1443 N LYS A 93 9.544 -7.917 -0.241 1.00 0.00 N ATOM 1444 CA LYS A 93 9.651 -8.516 -1.560 1.00 0.00 C ATOM 1445 C LYS A 93 10.571 -9.737 -1.489 1.00 0.00 C ATOM 1446 O LYS A 93 10.178 -10.837 -1.874 1.00 0.00 O ATOM 1447 CB LYS A 93 10.094 -7.472 -2.588 1.00 0.00 C ATOM 1448 CG LYS A 93 9.321 -7.631 -3.899 1.00 0.00 C ATOM 1449 CD LYS A 93 8.948 -6.268 -4.485 1.00 0.00 C ATOM 1450 CE LYS A 93 10.199 -5.432 -4.767 1.00 0.00 C ATOM 1451 NZ LYS A 93 10.959 -6.005 -5.901 1.00 0.00 N ATOM 0 H LYS A 93 9.871 -6.953 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 93 8.677 -8.870 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.935 -6.471 -2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.163 -7.573 -2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.925 -8.186 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.417 -8.215 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.383 -6.407 -5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.299 -5.735 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.914 -4.405 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.830 -5.399 -3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.716 -5.348 -6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.376 -6.914 -5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.319 -6.156 -6.707 1.00 0.00 H new ATOM 1465 N GLU A 94 11.776 -9.501 -0.993 1.00 0.00 N ATOM 1466 CA GLU A 94 12.755 -10.568 -0.866 1.00 0.00 C ATOM 1467 C GLU A 94 12.155 -11.750 -0.102 1.00 0.00 C ATOM 1468 O GLU A 94 12.601 -12.886 -0.258 1.00 0.00 O ATOM 1469 CB GLU A 94 14.029 -10.065 -0.185 1.00 0.00 C ATOM 1470 CG GLU A 94 14.680 -8.946 -1.000 1.00 0.00 C ATOM 1471 CD GLU A 94 16.175 -8.840 -0.689 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.511 -8.906 0.513 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.948 -8.695 -1.661 1.00 0.00 O ATOM 0 H GLU A 94 12.097 -8.587 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 94 13.027 -10.907 -1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.792 -9.701 0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.732 -10.889 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.539 -9.137 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.191 -7.998 -0.778 1.00 0.00 H new ATOM 1480 N SER A 95 11.153 -11.443 0.708 1.00 0.00 N ATOM 1481 CA SER A 95 10.487 -12.465 1.497 1.00 0.00 C ATOM 1482 C SER A 95 9.243 -12.967 0.761 1.00 0.00 C ATOM 1483 O SER A 95 8.753 -14.061 1.037 1.00 0.00 O ATOM 1484 CB SER A 95 10.107 -11.934 2.881 1.00 0.00 C ATOM 1485 OG SER A 95 10.974 -12.426 3.899 1.00 0.00 O ATOM 0 H SER A 95 10.786 -10.500 0.835 1.00 0.00 H new ATOM 0 HA SER A 95 11.180 -13.295 1.635 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.140 -10.845 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.080 -12.220 3.110 1.00 0.00 H new ATOM 0 HG SER A 95 10.699 -12.063 4.767 1.00 0.00 H new ATOM 1491 N ASN A 96 8.768 -12.143 -0.161 1.00 0.00 N ATOM 1492 CA ASN A 96 7.590 -12.489 -0.939 1.00 0.00 C ATOM 1493 C ASN A 96 6.343 -12.321 -0.069 1.00 0.00 C ATOM 1494 O ASN A 96 5.400 -13.105 -0.172 1.00 0.00 O ATOM 1495 CB ASN A 96 7.648 -13.944 -1.407 1.00 0.00 C ATOM 1496 CG ASN A 96 7.349 -14.051 -2.904 1.00 0.00 C ATOM 1497 OD1 ASN A 96 7.389 -13.080 -3.642 1.00 0.00 O ATOM 1498 ND2 ASN A 96 7.049 -15.281 -3.309 1.00 0.00 N ATOM 0 H ASN A 96 9.177 -11.236 -0.387 1.00 0.00 H new ATOM 0 HA ASN A 96 7.554 -11.832 -1.808 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.635 -14.357 -1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.928 -14.539 -0.845 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.834 -15.457 -4.291 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.034 -16.049 -2.638 1.00 0.00 H new ATOM 1505 N THR A 97 6.377 -11.295 0.768 1.00 0.00 N ATOM 1506 CA THR A 97 5.261 -11.014 1.655 1.00 0.00 C ATOM 1507 C THR A 97 4.592 -9.694 1.269 1.00 0.00 C ATOM 1508 O THR A 97 3.700 -9.217 1.970 1.00 0.00 O ATOM 1509 CB THR A 97 5.784 -11.033 3.093 1.00 0.00 C ATOM 1510 OG1 THR A 97 6.964 -10.237 3.044 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.284 -12.416 3.516 1.00 0.00 C ATOM 0 H THR A 97 7.161 -10.647 0.851 1.00 0.00 H new ATOM 0 HA THR A 97 4.484 -11.773 1.566 1.00 0.00 H new ATOM 0 HB THR A 97 4.994 -10.710 3.771 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.367 -10.195 3.936 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.644 -12.374 4.544 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.468 -13.135 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.097 -12.726 2.859 1.00 0.00 H new ATOM 1519 N VAL A 98 5.047 -9.140 0.155 1.00 0.00 N ATOM 1520 CA VAL A 98 4.504 -7.884 -0.333 1.00 0.00 C ATOM 1521 C VAL A 98 2.997 -7.849 -0.070 1.00 0.00 C ATOM 1522 O VAL A 98 2.480 -6.873 0.472 1.00 0.00 O ATOM 1523 CB VAL A 98 4.857 -7.699 -1.810 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.846 -6.786 -2.506 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.281 -7.164 -1.971 1.00 0.00 C ATOM 0 H VAL A 98 5.786 -9.538 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 98 4.948 -7.043 0.201 1.00 0.00 H new ATOM 0 HB VAL A 98 4.811 -8.677 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.121 -6.672 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.851 -7.226 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.845 -5.809 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.506 -7.042 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.367 -6.201 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.986 -7.868 -1.529 1.00 0.00 H new ATOM 1535 N PHE A 99 2.334 -8.925 -0.467 1.00 0.00 N ATOM 1536 CA PHE A 99 0.897 -9.030 -0.281 1.00 0.00 C ATOM 1537 C PHE A 99 0.514 -8.786 1.181 1.00 0.00 C ATOM 1538 O PHE A 99 -0.359 -7.969 1.469 1.00 0.00 O ATOM 1539 CB PHE A 99 0.498 -10.455 -0.669 1.00 0.00 C ATOM 1540 CG PHE A 99 0.326 -10.665 -2.174 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.419 -10.766 -2.977 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -0.921 -10.750 -2.711 1.00 0.00 C ATOM 1543 CE1 PHE A 99 1.260 -10.961 -4.374 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -1.081 -10.945 -4.108 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.013 -11.046 -4.910 1.00 0.00 C ATOM 0 H PHE A 99 2.766 -9.732 -0.917 1.00 0.00 H new ATOM 0 HA PHE A 99 0.388 -8.285 -0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.256 -11.147 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.436 -10.709 -0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.409 -10.698 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.790 -10.669 -2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.129 -11.042 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.071 -11.013 -4.534 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.109 -11.194 -5.973 1.00 0.00 H new ATOM 1555 N SER A 100 1.186 -9.510 2.064 1.00 0.00 N ATOM 1556 CA SER A 100 0.927 -9.382 3.488 1.00 0.00 C ATOM 1557 C SER A 100 1.416 -8.021 3.989 1.00 0.00 C ATOM 1558 O SER A 100 0.773 -7.399 4.833 1.00 0.00 O ATOM 1559 CB SER A 100 1.600 -10.509 4.273 1.00 0.00 C ATOM 1560 OG SER A 100 0.754 -11.648 4.405 1.00 0.00 O ATOM 0 H SER A 100 1.909 -10.187 1.821 1.00 0.00 H new ATOM 0 HA SER A 100 -0.149 -9.456 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.523 -10.799 3.771 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.876 -10.146 5.263 1.00 0.00 H new ATOM 0 HG SER A 100 1.221 -12.346 4.911 1.00 0.00 H new ATOM 1566 N PHE A 101 2.549 -7.599 3.447 1.00 0.00 N ATOM 1567 CA PHE A 101 3.131 -6.324 3.829 1.00 0.00 C ATOM 1568 C PHE A 101 2.113 -5.191 3.682 1.00 0.00 C ATOM 1569 O PHE A 101 2.061 -4.286 4.514 1.00 0.00 O ATOM 1570 CB PHE A 101 4.304 -6.066 2.881 1.00 0.00 C ATOM 1571 CG PHE A 101 4.614 -4.583 2.664 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.738 -3.751 3.732 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.766 -4.098 1.403 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.026 -2.375 3.531 1.00 0.00 C ATOM 1575 CE2 PHE A 101 5.054 -2.722 1.201 1.00 0.00 C ATOM 1576 CZ PHE A 101 5.178 -1.890 2.270 1.00 0.00 C ATOM 0 H PHE A 101 3.079 -8.117 2.747 1.00 0.00 H new ATOM 0 HA PHE A 101 3.450 -6.357 4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.192 -6.558 3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.087 -6.526 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.617 -4.137 4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.668 -4.759 0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.124 -1.714 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.174 -2.336 0.199 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.397 -0.844 2.117 1.00 0.00 H new ATOM 1586 N LEU A 102 1.329 -5.277 2.618 1.00 0.00 N ATOM 1587 CA LEU A 102 0.315 -4.271 2.351 1.00 0.00 C ATOM 1588 C LEU A 102 -0.950 -4.604 3.144 1.00 0.00 C ATOM 1589 O LEU A 102 -1.730 -3.714 3.479 1.00 0.00 O ATOM 1590 CB LEU A 102 0.079 -4.134 0.846 1.00 0.00 C ATOM 1591 CG LEU A 102 1.309 -4.318 -0.046 1.00 0.00 C ATOM 1592 CD1 LEU A 102 1.043 -5.354 -1.140 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.772 -2.979 -0.625 1.00 0.00 C ATOM 0 H LEU A 102 1.375 -6.028 1.930 1.00 0.00 H new ATOM 0 HA LEU A 102 0.654 -3.291 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.673 -4.864 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.341 -3.147 0.653 1.00 0.00 H new ATOM 0 HG LEU A 102 2.123 -4.701 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.933 -5.466 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.797 -6.312 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.209 -5.023 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.647 -3.138 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.970 -2.544 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.029 -2.300 0.188 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.114 -5.889 3.423 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.270 -6.351 4.170 1.00 0.00 C ATOM 1607 C GLY A 103 -3.247 -7.101 3.262 1.00 0.00 C ATOM 1608 O GLY A 103 -4.461 -6.940 3.382 1.00 0.00 O ATOM 0 H GLY A 103 -0.465 -6.625 3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.946 -7.005 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.774 -5.501 4.629 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.681 -7.903 2.372 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.487 -8.678 1.444 1.00 0.00 C ATOM 1614 C LEU A 104 -3.415 -10.158 1.824 1.00 0.00 C ATOM 1615 O LEU A 104 -2.988 -10.988 1.024 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.064 -8.393 0.001 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.801 -6.925 -0.343 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.047 -6.800 -1.669 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.102 -6.120 -0.345 1.00 0.00 C ATOM 0 H LEU A 104 -1.674 -8.033 2.274 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.534 -8.382 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.159 -8.963 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.841 -8.768 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.162 -6.501 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.873 -5.747 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.091 -7.318 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.640 -7.246 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.886 -5.081 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.786 -6.535 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.562 -6.170 0.642 1.00 0.00 H new