USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=16 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 -84:sc= 0.791 USER MOD Set 1.2: A 97 THR OG1 : rot -163:sc= -1.93! USER MOD Set 2.1: A 54 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.47) USER MOD Set 2.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 70 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 170:sc= 0 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+ 180:sc= 0.314 (180deg=0.314) USER MOD Single : A 27 GLN : amide:sc= -6.98! C(o=-7!,f=-11!) USER MOD Single : A 28 GLN : amide:sc= -1.49 K(o=-1.5,f=-3.8!) USER MOD Single : A 37 ASN : amide:sc= 0.111 K(o=0.11,f=-0.95) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 30:sc= -1.47 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= -0.969 K(o=-0.97,f=-7!) USER MOD Single : A 56 MET CE :methyl 162:sc= -0.0321 (180deg=-0.443) USER MOD Single : A 59 ASN : amide:sc= -8.65! C(o=-8.6!,f=-9!) 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 75 GLN : amide:sc= -1.1 K(o=-1.1,f=-4.8!) USER MOD Single : A 78 ASN : amide:sc= -2.16 K(o=-2.2,f=-3.5!) USER MOD Single : A 82 TYR OH : rot 30:sc= -1.53 USER MOD Single : A 83 CYS SG : rot -43:sc= -7.44! USER MOD Single : A 86 TYR OH : rot -116:sc= 1.28 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 156:sc= 0.258 (180deg=0.132) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -8.044 -1.928 -1.077 1.00 0.00 N ATOM 84 CA VAL A 9 -7.321 -1.111 -2.036 1.00 0.00 C ATOM 85 C VAL A 9 -6.018 -0.621 -1.402 1.00 0.00 C ATOM 86 O VAL A 9 -6.042 0.128 -0.426 1.00 0.00 O ATOM 87 CB VAL A 9 -8.212 0.031 -2.529 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.372 1.174 -3.101 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.228 -0.472 -3.557 1.00 0.00 C ATOM 0 HA VAL A 9 -7.055 -1.699 -2.914 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.765 0.419 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.030 1.973 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.707 1.559 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.780 0.806 -3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.849 0.359 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.701 -0.898 -4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.858 -1.236 -3.102 1.00 0.00 H new ATOM 99 N ILE A 10 -4.912 -1.063 -1.981 1.00 0.00 N ATOM 100 CA ILE A 10 -3.601 -0.678 -1.485 1.00 0.00 C ATOM 101 C ILE A 10 -3.276 0.739 -1.960 1.00 0.00 C ATOM 102 O ILE A 10 -2.506 0.921 -2.902 1.00 0.00 O ATOM 103 CB ILE A 10 -2.551 -1.716 -1.884 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.884 -3.088 -1.293 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.146 -1.251 -1.498 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.174 -2.983 0.206 1.00 0.00 C ATOM 0 H ILE A 10 -4.896 -1.685 -2.790 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.598 -0.658 -0.395 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.569 -1.820 -2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.749 -3.509 -1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.051 -3.771 -1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.419 -2.007 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.921 -0.313 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.096 -1.101 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.408 -3.971 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.299 -2.585 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.023 -2.318 0.367 1.00 0.00 H new ATOM 118 N ARG A 11 -3.880 1.708 -1.287 1.00 0.00 N ATOM 119 CA ARG A 11 -3.664 3.104 -1.628 1.00 0.00 C ATOM 120 C ARG A 11 -2.175 3.446 -1.548 1.00 0.00 C ATOM 121 O ARG A 11 -1.609 3.520 -0.458 1.00 0.00 O ATOM 122 CB ARG A 11 -4.444 4.027 -0.691 1.00 0.00 C ATOM 123 CG ARG A 11 -5.951 3.806 -0.832 1.00 0.00 C ATOM 124 CD ARG A 11 -6.728 4.665 0.168 1.00 0.00 C ATOM 125 NE ARG A 11 -8.162 4.302 0.141 1.00 0.00 N ATOM 126 CZ ARG A 11 -9.018 4.547 1.142 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.590 5.158 2.255 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.303 4.182 1.030 1.00 0.00 N ATOM 0 H ARG A 11 -4.519 1.554 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.020 3.255 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.141 3.844 0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.203 5.066 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.264 4.050 -1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.184 2.754 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.327 4.522 1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.607 5.720 -0.076 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.521 3.836 -0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.612 5.437 2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.242 5.345 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.629 3.718 0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.954 4.369 1.792 1.00 0.00 H new ATOM 142 N VAL A 12 -1.582 3.645 -2.716 1.00 0.00 N ATOM 143 CA VAL A 12 -0.170 3.978 -2.791 1.00 0.00 C ATOM 144 C VAL A 12 -0.017 5.457 -3.151 1.00 0.00 C ATOM 145 O VAL A 12 -0.535 5.908 -4.172 1.00 0.00 O ATOM 146 CB VAL A 12 0.535 3.046 -3.779 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.993 3.464 -3.983 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.442 1.589 -3.321 1.00 0.00 C ATOM 0 H VAL A 12 -2.054 3.582 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 12 0.310 3.828 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 12 0.025 3.129 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.471 2.785 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.029 4.480 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.520 3.425 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.951 0.948 -4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.914 1.484 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.605 1.296 -3.251 1.00 0.00 H new ATOM 158 N PHE A 13 0.697 6.171 -2.294 1.00 0.00 N ATOM 159 CA PHE A 13 0.925 7.590 -2.509 1.00 0.00 C ATOM 160 C PHE A 13 2.126 7.820 -3.428 1.00 0.00 C ATOM 161 O PHE A 13 3.194 7.249 -3.214 1.00 0.00 O ATOM 162 CB PHE A 13 1.219 8.208 -1.141 1.00 0.00 C ATOM 163 CG PHE A 13 -0.030 8.487 -0.302 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.111 7.668 -0.400 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.059 9.554 0.540 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.271 7.927 0.379 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.219 9.814 1.318 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.300 8.994 1.221 1.00 0.00 C ATOM 0 H PHE A 13 1.126 5.794 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 13 0.051 8.040 -2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.875 7.539 -0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.763 9.141 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.088 6.821 -1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.800 10.204 0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.129 7.276 0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.243 10.662 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.182 9.191 1.813 1.00 0.00 H new ATOM 178 N ILE A 14 1.911 8.657 -4.432 1.00 0.00 N ATOM 179 CA ILE A 14 2.963 8.969 -5.385 1.00 0.00 C ATOM 180 C ILE A 14 2.997 10.480 -5.623 1.00 0.00 C ATOM 181 O ILE A 14 1.966 11.147 -5.552 1.00 0.00 O ATOM 182 CB ILE A 14 2.787 8.149 -6.665 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.491 8.526 -7.384 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.864 6.649 -6.370 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.784 9.260 -8.694 1.00 0.00 C ATOM 0 H ILE A 14 1.024 9.129 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 14 3.936 8.686 -4.984 1.00 0.00 H new ATOM 0 HB ILE A 14 3.610 8.387 -7.339 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.910 7.627 -7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.883 9.158 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.736 6.089 -7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.835 6.413 -5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.076 6.375 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.845 9.517 -9.185 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.344 10.171 -8.483 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.372 8.616 -9.348 1.00 0.00 H new ATOM 197 N ALA A 15 4.195 10.975 -5.900 1.00 0.00 N ATOM 198 CA ALA A 15 4.377 12.395 -6.149 1.00 0.00 C ATOM 199 C ALA A 15 4.902 12.596 -7.572 1.00 0.00 C ATOM 200 O ALA A 15 6.110 12.703 -7.782 1.00 0.00 O ATOM 201 CB ALA A 15 5.316 12.982 -5.093 1.00 0.00 C ATOM 0 H ALA A 15 5.048 10.419 -5.957 1.00 0.00 H new ATOM 0 HA ALA A 15 3.427 12.923 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.453 14.047 -5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.884 12.840 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.281 12.478 -5.144 1.00 0.00 H new ATOM 207 N SER A 16 3.970 12.641 -8.512 1.00 0.00 N ATOM 208 CA SER A 16 4.324 12.827 -9.909 1.00 0.00 C ATOM 209 C SER A 16 5.470 13.833 -10.029 1.00 0.00 C ATOM 210 O SER A 16 6.279 13.751 -10.951 1.00 0.00 O ATOM 211 CB SER A 16 3.118 13.296 -10.725 1.00 0.00 C ATOM 212 OG SER A 16 3.459 13.548 -12.085 1.00 0.00 O ATOM 0 H SER A 16 2.970 12.552 -8.334 1.00 0.00 H new ATOM 0 HA SER A 16 4.649 11.867 -10.310 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.335 12.539 -10.682 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.710 14.203 -10.280 1.00 0.00 H new ATOM 0 HG SER A 16 2.662 13.844 -12.573 1.00 0.00 H new ATOM 218 N SER A 17 5.502 14.760 -9.083 1.00 0.00 N ATOM 219 CA SER A 17 6.536 15.782 -9.071 1.00 0.00 C ATOM 220 C SER A 17 7.772 15.267 -8.330 1.00 0.00 C ATOM 221 O SER A 17 8.735 14.825 -8.954 1.00 0.00 O ATOM 222 CB SER A 17 6.028 17.072 -8.423 1.00 0.00 C ATOM 223 OG SER A 17 5.638 18.039 -9.395 1.00 0.00 O ATOM 0 H SER A 17 4.829 14.825 -8.319 1.00 0.00 H new ATOM 0 HA SER A 17 6.806 16.007 -10.103 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.180 16.844 -7.778 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.809 17.491 -7.788 1.00 0.00 H new ATOM 0 HG SER A 17 5.318 18.847 -8.942 1.00 0.00 H new ATOM 229 N SER A 18 7.704 15.342 -7.009 1.00 0.00 N ATOM 230 CA SER A 18 8.806 14.889 -6.176 1.00 0.00 C ATOM 231 C SER A 18 10.096 15.604 -6.581 1.00 0.00 C ATOM 232 O SER A 18 10.054 16.637 -7.248 1.00 0.00 O ATOM 233 CB SER A 18 8.985 13.373 -6.278 1.00 0.00 C ATOM 234 OG SER A 18 8.965 12.746 -4.998 1.00 0.00 O ATOM 0 H SER A 18 6.903 15.709 -6.495 1.00 0.00 H new ATOM 0 HA SER A 18 8.574 15.132 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.192 12.955 -6.899 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.929 13.152 -6.775 1.00 0.00 H new ATOM 0 HG SER A 18 8.920 11.774 -5.111 1.00 0.00 H new ATOM 240 N GLY A 19 11.212 15.027 -6.161 1.00 0.00 N ATOM 241 CA GLY A 19 12.512 15.596 -6.471 1.00 0.00 C ATOM 242 C GLY A 19 13.600 14.521 -6.455 1.00 0.00 C ATOM 243 O GLY A 19 14.752 14.802 -6.127 1.00 0.00 O ATOM 0 H GLY A 19 11.243 14.170 -5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.480 16.071 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.754 16.374 -5.747 1.00 0.00 H new ATOM 247 N PHE A 20 13.196 13.311 -6.814 1.00 0.00 N ATOM 248 CA PHE A 20 14.123 12.192 -6.845 1.00 0.00 C ATOM 249 C PHE A 20 13.629 11.097 -7.793 1.00 0.00 C ATOM 250 O PHE A 20 12.839 10.240 -7.400 1.00 0.00 O ATOM 251 CB PHE A 20 14.189 11.627 -5.424 1.00 0.00 C ATOM 252 CG PHE A 20 15.026 12.469 -4.459 1.00 0.00 C ATOM 253 CD1 PHE A 20 16.206 13.006 -4.871 1.00 0.00 C ATOM 254 CD2 PHE A 20 14.590 12.681 -3.188 1.00 0.00 C ATOM 255 CE1 PHE A 20 16.982 13.787 -3.975 1.00 0.00 C ATOM 256 CE2 PHE A 20 15.367 13.462 -2.292 1.00 0.00 C ATOM 257 CZ PHE A 20 16.546 13.999 -2.704 1.00 0.00 C ATOM 0 H PHE A 20 12.240 13.081 -7.086 1.00 0.00 H new ATOM 0 HA PHE A 20 15.099 12.527 -7.196 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.176 11.541 -5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.602 10.619 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.552 12.838 -5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.653 12.255 -2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.919 14.213 -4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 20 15.021 13.629 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.136 14.594 -2.023 1.00 0.00 H new ATOM 267 N VAL A 21 14.115 11.162 -9.024 1.00 0.00 N ATOM 268 CA VAL A 21 13.733 10.187 -10.031 1.00 0.00 C ATOM 269 C VAL A 21 13.744 8.788 -9.412 1.00 0.00 C ATOM 270 O VAL A 21 13.007 7.905 -9.848 1.00 0.00 O ATOM 271 CB VAL A 21 14.648 10.308 -11.251 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.110 10.076 -10.864 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.215 9.347 -12.360 1.00 0.00 C ATOM 0 H VAL A 21 14.770 11.875 -9.347 1.00 0.00 H new ATOM 0 HA VAL A 21 12.719 10.379 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 21 14.560 11.324 -11.636 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.740 10.168 -11.749 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.413 10.818 -10.125 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.221 9.077 -10.442 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.882 9.454 -13.215 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.259 8.322 -11.991 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.195 9.579 -12.665 1.00 0.00 H new ATOM 283 N ALA A 22 14.589 8.629 -8.403 1.00 0.00 N ATOM 284 CA ALA A 22 14.707 7.353 -7.719 1.00 0.00 C ATOM 285 C ALA A 22 13.372 7.010 -7.055 1.00 0.00 C ATOM 286 O ALA A 22 12.861 5.903 -7.216 1.00 0.00 O ATOM 287 CB ALA A 22 15.859 7.416 -6.714 1.00 0.00 C ATOM 0 H ALA A 22 15.198 9.364 -8.043 1.00 0.00 H new ATOM 0 HA ALA A 22 14.937 6.558 -8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.947 6.458 -6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.789 7.633 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.663 8.202 -5.984 1.00 0.00 H new ATOM 293 N ILE A 23 12.845 7.981 -6.324 1.00 0.00 N ATOM 294 CA ILE A 23 11.579 7.796 -5.635 1.00 0.00 C ATOM 295 C ILE A 23 10.497 7.433 -6.654 1.00 0.00 C ATOM 296 O ILE A 23 9.665 6.564 -6.398 1.00 0.00 O ATOM 297 CB ILE A 23 11.242 9.028 -4.793 1.00 0.00 C ATOM 298 CG1 ILE A 23 12.027 9.026 -3.479 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.734 9.137 -4.559 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.857 10.352 -2.736 1.00 0.00 C ATOM 0 H ILE A 23 13.272 8.898 -6.194 1.00 0.00 H new ATOM 0 HA ILE A 23 11.646 6.966 -4.931 1.00 0.00 H new ATOM 0 HB ILE A 23 11.546 9.915 -5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.685 8.205 -2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.084 8.852 -3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.522 10.021 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.222 9.219 -5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.382 8.249 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.425 10.323 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.222 11.168 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.802 10.511 -2.512 1.00 0.00 H new ATOM 312 N LYS A 24 10.544 8.117 -7.787 1.00 0.00 N ATOM 313 CA LYS A 24 9.578 7.877 -8.846 1.00 0.00 C ATOM 314 C LYS A 24 9.764 6.460 -9.390 1.00 0.00 C ATOM 315 O LYS A 24 8.793 5.794 -9.745 1.00 0.00 O ATOM 316 CB LYS A 24 9.676 8.965 -9.918 1.00 0.00 C ATOM 317 CG LYS A 24 9.653 8.356 -11.321 1.00 0.00 C ATOM 318 CD LYS A 24 9.198 9.385 -12.358 1.00 0.00 C ATOM 319 CE LYS A 24 10.334 9.728 -13.324 1.00 0.00 C ATOM 320 NZ LYS A 24 10.521 8.641 -14.311 1.00 0.00 N ATOM 0 H LYS A 24 11.235 8.837 -7.995 1.00 0.00 H new ATOM 0 HA LYS A 24 8.562 7.937 -8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.848 9.665 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.595 9.535 -9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.647 7.990 -11.579 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.982 7.497 -11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.347 8.993 -12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.859 10.290 -11.854 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.111 10.662 -13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.258 9.885 -12.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.296 8.890 -14.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.755 7.758 -13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.644 8.511 -14.854 1.00 0.00 H new ATOM 334 N LYS A 25 11.020 6.039 -9.437 1.00 0.00 N ATOM 335 CA LYS A 25 11.346 4.712 -9.931 1.00 0.00 C ATOM 336 C LYS A 25 10.726 3.661 -9.008 1.00 0.00 C ATOM 337 O LYS A 25 10.112 2.704 -9.476 1.00 0.00 O ATOM 338 CB LYS A 25 12.859 4.562 -10.104 1.00 0.00 C ATOM 339 CG LYS A 25 13.341 5.282 -11.365 1.00 0.00 C ATOM 340 CD LYS A 25 14.074 4.319 -12.301 1.00 0.00 C ATOM 341 CE LYS A 25 15.378 4.935 -12.810 1.00 0.00 C ATOM 342 NZ LYS A 25 16.433 3.902 -12.917 1.00 0.00 N ATOM 0 H LYS A 25 11.823 6.593 -9.141 1.00 0.00 H new ATOM 0 HA LYS A 25 10.918 4.559 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.370 4.968 -9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.119 3.505 -10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.490 5.722 -11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.004 6.102 -11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.288 3.388 -11.776 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.432 4.068 -13.146 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.213 5.397 -13.783 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.702 5.725 -12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.311 4.338 -13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.602 3.480 -11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.128 3.162 -13.581 1.00 0.00 H new ATOM 356 N LYS A 26 10.907 3.876 -7.713 1.00 0.00 N ATOM 357 CA LYS A 26 10.373 2.960 -6.720 1.00 0.00 C ATOM 358 C LYS A 26 8.848 2.918 -6.840 1.00 0.00 C ATOM 359 O LYS A 26 8.255 1.841 -6.888 1.00 0.00 O ATOM 360 CB LYS A 26 10.869 3.335 -5.323 1.00 0.00 C ATOM 361 CG LYS A 26 12.394 3.241 -5.239 1.00 0.00 C ATOM 362 CD LYS A 26 12.912 3.870 -3.944 1.00 0.00 C ATOM 363 CE LYS A 26 14.410 3.611 -3.771 1.00 0.00 C ATOM 364 NZ LYS A 26 14.778 3.639 -2.337 1.00 0.00 N ATOM 0 H LYS A 26 11.416 4.672 -7.329 1.00 0.00 H new ATOM 0 HA LYS A 26 10.736 1.948 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.550 4.348 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.419 2.673 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.701 2.196 -5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.841 3.745 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.724 4.944 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.368 3.460 -3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.670 2.644 -4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.981 4.364 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.798 3.462 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.548 4.571 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.247 2.904 -1.828 1.00 0.00 H new ATOM 378 N GLN A 27 8.257 4.103 -6.885 1.00 0.00 N ATOM 379 CA GLN A 27 6.812 4.214 -6.999 1.00 0.00 C ATOM 380 C GLN A 27 6.285 3.237 -8.052 1.00 0.00 C ATOM 381 O GLN A 27 5.188 2.699 -7.910 1.00 0.00 O ATOM 382 CB GLN A 27 6.398 5.650 -7.327 1.00 0.00 C ATOM 383 CG GLN A 27 6.611 6.571 -6.123 1.00 0.00 C ATOM 384 CD GLN A 27 6.805 8.021 -6.570 1.00 0.00 C ATOM 385 OE1 GLN A 27 7.544 8.788 -5.975 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.101 8.353 -7.649 1.00 0.00 N ATOM 0 H GLN A 27 8.752 4.994 -6.845 1.00 0.00 H new ATOM 0 HA GLN A 27 6.370 3.953 -6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.977 6.015 -8.175 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.350 5.671 -7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.753 6.505 -5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.483 6.241 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.501 7.662 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.161 9.299 -8.026 1.00 0.00 H new ATOM 395 N GLN A 28 7.092 3.038 -9.084 1.00 0.00 N ATOM 396 CA GLN A 28 6.720 2.135 -10.160 1.00 0.00 C ATOM 397 C GLN A 28 6.744 0.686 -9.670 1.00 0.00 C ATOM 398 O GLN A 28 5.697 0.053 -9.543 1.00 0.00 O ATOM 399 CB GLN A 28 7.637 2.319 -11.371 1.00 0.00 C ATOM 400 CG GLN A 28 7.551 3.748 -11.912 1.00 0.00 C ATOM 401 CD GLN A 28 8.877 4.175 -12.546 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.301 5.315 -12.453 1.00 0.00 O ATOM 403 NE2 GLN A 28 9.505 3.198 -13.194 1.00 0.00 N ATOM 0 H GLN A 28 8.001 3.486 -9.198 1.00 0.00 H new ATOM 0 HA GLN A 28 5.704 2.375 -10.474 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.666 2.094 -11.090 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.358 1.613 -12.153 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.753 3.813 -12.651 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.293 4.432 -11.103 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.094 2.265 -13.233 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.398 3.381 -13.652 1.00 0.00 H new ATOM 412 N ASP A 29 7.950 0.204 -9.407 1.00 0.00 N ATOM 413 CA ASP A 29 8.123 -1.159 -8.933 1.00 0.00 C ATOM 414 C ASP A 29 7.003 -1.498 -7.948 1.00 0.00 C ATOM 415 O ASP A 29 6.595 -2.654 -7.841 1.00 0.00 O ATOM 416 CB ASP A 29 9.459 -1.323 -8.205 1.00 0.00 C ATOM 417 CG ASP A 29 10.203 -2.626 -8.505 1.00 0.00 C ATOM 418 OD1 ASP A 29 9.746 -3.343 -9.421 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.212 -2.875 -7.811 1.00 0.00 O ATOM 0 H ASP A 29 8.816 0.732 -9.513 1.00 0.00 H new ATOM 0 HA ASP A 29 8.099 -1.822 -9.798 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.104 -0.485 -8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.280 -1.263 -7.131 1.00 0.00 H new ATOM 424 N VAL A 30 6.538 -0.471 -7.253 1.00 0.00 N ATOM 425 CA VAL A 30 5.473 -0.646 -6.280 1.00 0.00 C ATOM 426 C VAL A 30 4.180 -1.019 -7.008 1.00 0.00 C ATOM 427 O VAL A 30 3.666 -2.124 -6.841 1.00 0.00 O ATOM 428 CB VAL A 30 5.334 0.615 -5.424 1.00 0.00 C ATOM 429 CG1 VAL A 30 4.115 0.521 -4.504 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.610 0.873 -4.619 1.00 0.00 C ATOM 0 H VAL A 30 6.879 0.486 -7.344 1.00 0.00 H new ATOM 0 HA VAL A 30 5.709 -1.462 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 30 5.183 1.461 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.039 1.430 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.213 0.406 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.223 -0.339 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.486 1.775 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.804 0.024 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.450 1.004 -5.301 1.00 0.00 H new ATOM 440 N VAL A 31 3.690 -0.076 -7.800 1.00 0.00 N ATOM 441 CA VAL A 31 2.467 -0.292 -8.553 1.00 0.00 C ATOM 442 C VAL A 31 2.691 -1.413 -9.570 1.00 0.00 C ATOM 443 O VAL A 31 1.893 -2.345 -9.658 1.00 0.00 O ATOM 444 CB VAL A 31 2.012 1.018 -9.199 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.291 2.208 -8.279 1.00 0.00 C ATOM 446 CG2 VAL A 31 2.671 1.215 -10.565 1.00 0.00 C ATOM 0 H VAL A 31 4.118 0.840 -7.936 1.00 0.00 H new ATOM 0 HA VAL A 31 1.662 -0.609 -7.891 1.00 0.00 H new ATOM 0 HB VAL A 31 0.935 0.958 -9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.958 3.127 -8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.753 2.076 -7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.361 2.270 -8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.330 2.154 -11.002 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.754 1.243 -10.446 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.399 0.389 -11.223 1.00 0.00 H new ATOM 456 N ARG A 32 3.780 -1.286 -10.313 1.00 0.00 N ATOM 457 CA ARG A 32 4.119 -2.277 -11.321 1.00 0.00 C ATOM 458 C ARG A 32 3.834 -3.685 -10.797 1.00 0.00 C ATOM 459 O ARG A 32 3.130 -4.461 -11.441 1.00 0.00 O ATOM 460 CB ARG A 32 5.593 -2.176 -11.718 1.00 0.00 C ATOM 461 CG ARG A 32 5.898 -0.819 -12.356 1.00 0.00 C ATOM 462 CD ARG A 32 6.102 -0.957 -13.866 1.00 0.00 C ATOM 463 NE ARG A 32 6.488 0.349 -14.446 1.00 0.00 N ATOM 464 CZ ARG A 32 7.088 0.495 -15.635 1.00 0.00 C ATOM 465 NH1 ARG A 32 7.376 -0.583 -16.378 1.00 0.00 N ATOM 466 NH2 ARG A 32 7.402 1.719 -16.082 1.00 0.00 N ATOM 0 H ARG A 32 4.440 -0.512 -10.238 1.00 0.00 H new ATOM 0 HA ARG A 32 3.504 -2.081 -12.199 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.221 -2.317 -10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.840 -2.974 -12.418 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.079 -0.128 -12.158 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.792 -0.392 -11.902 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.875 -1.698 -14.071 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.185 -1.315 -14.334 1.00 0.00 H new ATOM 0 HE ARG A 32 6.284 1.190 -13.907 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.138 -1.515 -16.038 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.833 -0.471 -17.283 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.184 2.540 -15.517 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.859 1.830 -16.987 1.00 0.00 H new ATOM 480 N PHE A 33 4.396 -3.974 -9.632 1.00 0.00 N ATOM 481 CA PHE A 33 4.212 -5.276 -9.014 1.00 0.00 C ATOM 482 C PHE A 33 2.725 -5.592 -8.835 1.00 0.00 C ATOM 483 O PHE A 33 2.266 -6.667 -9.217 1.00 0.00 O ATOM 484 CB PHE A 33 4.877 -5.216 -7.638 1.00 0.00 C ATOM 485 CG PHE A 33 5.049 -6.582 -6.969 1.00 0.00 C ATOM 486 CD1 PHE A 33 6.170 -7.316 -7.202 1.00 0.00 C ATOM 487 CD2 PHE A 33 4.081 -7.061 -6.143 1.00 0.00 C ATOM 488 CE1 PHE A 33 6.329 -8.584 -6.582 1.00 0.00 C ATOM 489 CE2 PHE A 33 4.241 -8.328 -5.523 1.00 0.00 C ATOM 490 CZ PHE A 33 5.362 -9.063 -5.756 1.00 0.00 C ATOM 0 H PHE A 33 4.979 -3.328 -9.100 1.00 0.00 H new ATOM 0 HA PHE A 33 4.648 -6.052 -9.643 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.856 -4.747 -7.739 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.282 -4.576 -6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.939 -6.935 -7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.191 -6.478 -5.959 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.219 -9.168 -6.767 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.473 -8.709 -4.866 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.483 -10.027 -5.285 1.00 0.00 H new ATOM 500 N LEU A 34 2.015 -4.636 -8.255 1.00 0.00 N ATOM 501 CA LEU A 34 0.591 -4.799 -8.021 1.00 0.00 C ATOM 502 C LEU A 34 -0.114 -5.060 -9.353 1.00 0.00 C ATOM 503 O LEU A 34 -0.905 -5.995 -9.469 1.00 0.00 O ATOM 504 CB LEU A 34 0.032 -3.597 -7.255 1.00 0.00 C ATOM 505 CG LEU A 34 0.767 -3.223 -5.966 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.364 -1.826 -5.492 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.548 -4.282 -4.883 1.00 0.00 C ATOM 0 H LEU A 34 2.400 -3.745 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 34 0.407 -5.666 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.040 -2.732 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.010 -3.800 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 34 1.836 -3.195 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.900 -1.584 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.613 -1.095 -6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.709 -1.802 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.081 -3.992 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.517 -4.366 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.924 -5.243 -5.233 1.00 0.00 H new ATOM 519 N GLU A 35 0.199 -4.217 -10.327 1.00 0.00 N ATOM 520 CA GLU A 35 -0.395 -4.345 -11.647 1.00 0.00 C ATOM 521 C GLU A 35 -0.077 -5.719 -12.241 1.00 0.00 C ATOM 522 O GLU A 35 -0.971 -6.412 -12.725 1.00 0.00 O ATOM 523 CB GLU A 35 0.081 -3.224 -12.573 1.00 0.00 C ATOM 524 CG GLU A 35 -0.583 -1.894 -12.210 1.00 0.00 C ATOM 525 CD GLU A 35 -2.074 -1.914 -12.556 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.393 -2.391 -13.666 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.860 -1.451 -11.701 1.00 0.00 O ATOM 0 H GLU A 35 0.856 -3.443 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.477 -4.255 -11.548 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.164 -3.125 -12.503 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.149 -3.479 -13.607 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.455 -1.698 -11.145 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.093 -1.081 -12.745 1.00 0.00 H new ATOM 534 N ALA A 36 1.199 -6.072 -12.184 1.00 0.00 N ATOM 535 CA ALA A 36 1.646 -7.350 -12.711 1.00 0.00 C ATOM 536 C ALA A 36 1.017 -8.481 -11.894 1.00 0.00 C ATOM 537 O ALA A 36 0.852 -9.593 -12.392 1.00 0.00 O ATOM 538 CB ALA A 36 3.175 -7.402 -12.697 1.00 0.00 C ATOM 0 H ALA A 36 1.937 -5.495 -11.781 1.00 0.00 H new ATOM 0 HA ALA A 36 1.325 -7.472 -13.746 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.510 -8.361 -13.092 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.572 -6.596 -13.314 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.534 -7.286 -11.674 1.00 0.00 H new ATOM 544 N ASN A 37 0.683 -8.157 -10.653 1.00 0.00 N ATOM 545 CA ASN A 37 0.076 -9.131 -9.763 1.00 0.00 C ATOM 546 C ASN A 37 -1.430 -8.874 -9.683 1.00 0.00 C ATOM 547 O ASN A 37 -2.120 -9.459 -8.850 1.00 0.00 O ATOM 548 CB ASN A 37 0.650 -9.018 -8.349 1.00 0.00 C ATOM 549 CG ASN A 37 2.010 -9.712 -8.253 1.00 0.00 C ATOM 550 OD1 ASN A 37 2.112 -10.910 -8.045 1.00 0.00 O ATOM 551 ND2 ASN A 37 3.047 -8.895 -8.415 1.00 0.00 N ATOM 0 H ASN A 37 0.822 -7.233 -10.243 1.00 0.00 H new ATOM 0 HA ASN A 37 0.284 -10.125 -10.159 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.754 -7.967 -8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.042 -9.465 -7.635 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.998 -9.262 -8.368 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.892 -7.902 -8.586 1.00 0.00 H new ATOM 558 N LYS A 38 -1.896 -7.999 -10.562 1.00 0.00 N ATOM 559 CA LYS A 38 -3.308 -7.657 -10.602 1.00 0.00 C ATOM 560 C LYS A 38 -3.821 -7.461 -9.174 1.00 0.00 C ATOM 561 O LYS A 38 -4.926 -7.889 -8.843 1.00 0.00 O ATOM 562 CB LYS A 38 -4.090 -8.704 -11.397 1.00 0.00 C ATOM 563 CG LYS A 38 -3.905 -8.500 -12.902 1.00 0.00 C ATOM 564 CD LYS A 38 -4.747 -7.325 -13.404 1.00 0.00 C ATOM 565 CE LYS A 38 -6.241 -7.649 -13.328 1.00 0.00 C ATOM 566 NZ LYS A 38 -7.015 -6.730 -14.192 1.00 0.00 N ATOM 0 H LYS A 38 -1.321 -7.516 -11.252 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.457 -6.714 -11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.755 -9.703 -11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.149 -8.641 -11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.853 -8.318 -13.121 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.189 -9.408 -13.433 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.533 -6.438 -12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.474 -7.091 -14.433 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.412 -8.680 -13.638 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.585 -7.565 -12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.026 -6.963 -14.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.866 -5.750 -13.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.698 -6.830 -15.177 1.00 0.00 H new ATOM 580 N ILE A 39 -2.994 -6.813 -8.366 1.00 0.00 N ATOM 581 CA ILE A 39 -3.351 -6.554 -6.981 1.00 0.00 C ATOM 582 C ILE A 39 -4.123 -5.236 -6.895 1.00 0.00 C ATOM 583 O ILE A 39 -3.899 -4.328 -7.695 1.00 0.00 O ATOM 584 CB ILE A 39 -2.107 -6.598 -6.091 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.584 -8.029 -5.949 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.383 -5.951 -4.732 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.148 -8.038 -5.421 1.00 0.00 C ATOM 0 H ILE A 39 -2.078 -6.460 -8.644 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.012 -7.335 -6.605 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.322 -6.015 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.228 -8.590 -5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.623 -8.532 -6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.483 -5.995 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.673 -4.910 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.190 -6.486 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.200 -9.067 -5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.498 -7.497 -6.113 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.117 -7.556 -4.444 1.00 0.00 H new ATOM 599 N GLU A 40 -5.015 -5.172 -5.918 1.00 0.00 N ATOM 600 CA GLU A 40 -5.821 -3.980 -5.718 1.00 0.00 C ATOM 601 C GLU A 40 -4.970 -2.858 -5.119 1.00 0.00 C ATOM 602 O GLU A 40 -4.213 -3.084 -4.177 1.00 0.00 O ATOM 603 CB GLU A 40 -7.033 -4.280 -4.833 1.00 0.00 C ATOM 604 CG GLU A 40 -8.339 -3.989 -5.575 1.00 0.00 C ATOM 605 CD GLU A 40 -9.446 -3.586 -4.598 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.233 -3.789 -3.384 1.00 0.00 O ATOM 607 OE2 GLU A 40 -10.481 -3.086 -5.089 1.00 0.00 O ATOM 0 H GLU A 40 -5.197 -5.926 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.193 -3.650 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.012 -5.325 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.984 -3.677 -3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.180 -3.190 -6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.647 -4.871 -6.136 1.00 0.00 H new ATOM 614 N PHE A 41 -5.123 -1.673 -5.692 1.00 0.00 N ATOM 615 CA PHE A 41 -4.378 -0.516 -5.227 1.00 0.00 C ATOM 616 C PHE A 41 -4.742 0.731 -6.035 1.00 0.00 C ATOM 617 O PHE A 41 -5.496 0.650 -7.003 1.00 0.00 O ATOM 618 CB PHE A 41 -2.894 -0.827 -5.432 1.00 0.00 C ATOM 619 CG PHE A 41 -2.398 -0.579 -6.858 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.050 0.676 -7.248 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.304 -1.615 -7.735 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.589 0.906 -8.572 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.843 -1.385 -9.058 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.495 -0.129 -9.449 1.00 0.00 C ATOM 0 H PHE A 41 -5.752 -1.490 -6.474 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.611 -0.319 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.307 -0.219 -4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.712 -1.870 -5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.124 1.498 -6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.580 -2.612 -7.425 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.313 1.903 -8.882 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.769 -2.207 -9.754 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.144 0.046 -10.455 1.00 0.00 H new ATOM 634 N GLU A 42 -4.188 1.857 -5.608 1.00 0.00 N ATOM 635 CA GLU A 42 -4.444 3.119 -6.280 1.00 0.00 C ATOM 636 C GLU A 42 -3.270 4.078 -6.074 1.00 0.00 C ATOM 637 O GLU A 42 -2.682 4.122 -4.995 1.00 0.00 O ATOM 638 CB GLU A 42 -5.754 3.743 -5.794 1.00 0.00 C ATOM 639 CG GLU A 42 -5.661 4.131 -4.317 1.00 0.00 C ATOM 640 CD GLU A 42 -6.720 5.175 -3.956 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.480 6.360 -4.273 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.746 4.764 -3.372 1.00 0.00 O ATOM 0 H GLU A 42 -3.563 1.921 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.546 2.925 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.985 4.625 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.572 3.038 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.792 3.245 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.668 4.526 -4.103 1.00 0.00 H new ATOM 649 N GLU A 43 -2.965 4.824 -7.126 1.00 0.00 N ATOM 650 CA GLU A 43 -1.872 5.779 -7.074 1.00 0.00 C ATOM 651 C GLU A 43 -2.369 7.127 -6.547 1.00 0.00 C ATOM 652 O GLU A 43 -2.712 8.014 -7.327 1.00 0.00 O ATOM 653 CB GLU A 43 -1.215 5.936 -8.447 1.00 0.00 C ATOM 654 CG GLU A 43 -0.212 4.811 -8.707 1.00 0.00 C ATOM 655 CD GLU A 43 -0.430 4.191 -10.089 1.00 0.00 C ATOM 656 OE1 GLU A 43 -1.603 3.883 -10.394 1.00 0.00 O ATOM 657 OE2 GLU A 43 0.580 4.038 -10.809 1.00 0.00 O ATOM 0 H GLU A 43 -3.456 4.786 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.116 5.399 -6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.981 5.932 -9.223 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.709 6.900 -8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.804 5.200 -8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.314 4.043 -7.940 1.00 0.00 H new ATOM 664 N VAL A 44 -2.393 7.237 -5.227 1.00 0.00 N ATOM 665 CA VAL A 44 -2.843 8.461 -4.586 1.00 0.00 C ATOM 666 C VAL A 44 -1.844 9.582 -4.879 1.00 0.00 C ATOM 667 O VAL A 44 -0.952 9.849 -4.075 1.00 0.00 O ATOM 668 CB VAL A 44 -3.052 8.222 -3.090 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.359 9.533 -2.363 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.156 7.190 -2.848 1.00 0.00 C ATOM 0 H VAL A 44 -2.108 6.499 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.807 8.771 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.124 7.822 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.503 9.335 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.527 10.225 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.266 9.974 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.284 7.039 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.091 7.550 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.880 6.246 -3.317 1.00 0.00 H new ATOM 680 N ASP A 45 -2.026 10.208 -6.032 1.00 0.00 N ATOM 681 CA ASP A 45 -1.152 11.294 -6.441 1.00 0.00 C ATOM 682 C ASP A 45 -1.138 12.369 -5.353 1.00 0.00 C ATOM 683 O ASP A 45 -2.075 13.158 -5.243 1.00 0.00 O ATOM 684 CB ASP A 45 -1.644 11.940 -7.738 1.00 0.00 C ATOM 685 CG ASP A 45 -0.628 12.845 -8.436 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.159 13.485 -7.705 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.660 12.877 -9.685 1.00 0.00 O ATOM 0 H ASP A 45 -2.767 9.984 -6.697 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.155 10.882 -6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.940 11.151 -8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.538 12.524 -7.519 1.00 0.00 H new ATOM 692 N ILE A 46 -0.065 12.366 -4.576 1.00 0.00 N ATOM 693 CA ILE A 46 0.083 13.331 -3.500 1.00 0.00 C ATOM 694 C ILE A 46 0.500 14.682 -4.086 1.00 0.00 C ATOM 695 O ILE A 46 0.118 15.731 -3.570 1.00 0.00 O ATOM 696 CB ILE A 46 1.043 12.801 -2.433 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.348 12.311 -3.063 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.374 11.719 -1.583 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.508 12.412 -2.072 1.00 0.00 C ATOM 0 H ILE A 46 0.711 11.710 -4.670 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.869 13.484 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 46 1.298 13.623 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.233 11.277 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.571 12.902 -3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.078 11.359 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.503 12.136 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.070 10.890 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.423 12.057 -2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.636 13.450 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.292 11.800 -1.196 1.00 0.00 H new ATOM 711 N THR A 47 1.279 14.611 -5.156 1.00 0.00 N ATOM 712 CA THR A 47 1.752 15.815 -5.818 1.00 0.00 C ATOM 713 C THR A 47 0.572 16.626 -6.357 1.00 0.00 C ATOM 714 O THR A 47 0.589 17.855 -6.317 1.00 0.00 O ATOM 715 CB THR A 47 2.749 15.399 -6.901 1.00 0.00 C ATOM 716 OG1 THR A 47 4.023 15.666 -6.321 1.00 0.00 O ATOM 717 CG2 THR A 47 2.698 16.313 -8.126 1.00 0.00 C ATOM 0 H THR A 47 1.594 13.739 -5.581 1.00 0.00 H new ATOM 0 HA THR A 47 2.266 16.474 -5.119 1.00 0.00 H new ATOM 0 HB THR A 47 2.546 14.372 -7.206 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.967 15.563 -5.348 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.425 15.974 -8.864 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.699 16.283 -8.561 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.934 17.335 -7.828 1.00 0.00 H new ATOM 725 N MET A 48 -0.424 15.905 -6.850 1.00 0.00 N ATOM 726 CA MET A 48 -1.610 16.542 -7.397 1.00 0.00 C ATOM 727 C MET A 48 -2.525 17.048 -6.281 1.00 0.00 C ATOM 728 O MET A 48 -2.947 18.204 -6.295 1.00 0.00 O ATOM 729 CB MET A 48 -2.372 15.540 -8.267 1.00 0.00 C ATOM 730 CG MET A 48 -1.714 15.394 -9.641 1.00 0.00 C ATOM 731 SD MET A 48 -1.986 16.869 -10.608 1.00 0.00 S ATOM 732 CE MET A 48 -0.478 16.897 -11.562 1.00 0.00 C ATOM 0 H MET A 48 -0.434 14.886 -6.882 1.00 0.00 H new ATOM 0 HA MET A 48 -1.297 17.395 -7.999 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.402 14.571 -7.770 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.404 15.869 -8.387 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.645 15.218 -9.524 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.125 14.528 -10.160 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.483 17.762 -12.225 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.377 16.960 -10.889 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.406 15.986 -12.156 1.00 0.00 H new ATOM 742 N SER A 49 -2.804 16.159 -5.339 1.00 0.00 N ATOM 743 CA SER A 49 -3.661 16.502 -4.217 1.00 0.00 C ATOM 744 C SER A 49 -2.812 16.772 -2.973 1.00 0.00 C ATOM 745 O SER A 49 -2.191 15.859 -2.431 1.00 0.00 O ATOM 746 CB SER A 49 -4.674 15.389 -3.937 1.00 0.00 C ATOM 747 OG SER A 49 -5.567 15.192 -5.030 1.00 0.00 O ATOM 0 H SER A 49 -2.452 15.202 -5.330 1.00 0.00 H new ATOM 0 HA SER A 49 -4.215 17.405 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.143 14.460 -3.730 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.245 15.636 -3.042 1.00 0.00 H new ATOM 0 HG SER A 49 -6.196 14.473 -4.813 1.00 0.00 H new ATOM 753 N GLU A 50 -2.813 18.030 -2.558 1.00 0.00 N ATOM 754 CA GLU A 50 -2.050 18.432 -1.388 1.00 0.00 C ATOM 755 C GLU A 50 -2.570 17.712 -0.142 1.00 0.00 C ATOM 756 O GLU A 50 -1.791 17.142 0.620 1.00 0.00 O ATOM 757 CB GLU A 50 -2.092 19.950 -1.201 1.00 0.00 C ATOM 758 CG GLU A 50 -0.992 20.415 -0.245 1.00 0.00 C ATOM 759 CD GLU A 50 0.238 20.898 -1.017 1.00 0.00 C ATOM 760 OE1 GLU A 50 0.032 21.601 -2.030 1.00 0.00 O ATOM 761 OE2 GLU A 50 1.356 20.554 -0.576 1.00 0.00 O ATOM 0 H GLU A 50 -3.330 18.784 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.009 18.146 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.972 20.442 -2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.066 20.245 -0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.370 21.220 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.711 19.596 0.418 1.00 0.00 H new ATOM 768 N GLU A 51 -3.883 17.761 0.026 1.00 0.00 N ATOM 769 CA GLU A 51 -4.516 17.120 1.166 1.00 0.00 C ATOM 770 C GLU A 51 -3.907 15.737 1.403 1.00 0.00 C ATOM 771 O GLU A 51 -3.381 15.463 2.481 1.00 0.00 O ATOM 772 CB GLU A 51 -6.031 17.026 0.971 1.00 0.00 C ATOM 773 CG GLU A 51 -6.746 16.844 2.311 1.00 0.00 C ATOM 774 CD GLU A 51 -8.072 16.102 2.129 1.00 0.00 C ATOM 775 OE1 GLU A 51 -8.752 16.395 1.122 1.00 0.00 O ATOM 776 OE2 GLU A 51 -8.376 15.259 3.000 1.00 0.00 O ATOM 0 H GLU A 51 -4.526 18.235 -0.608 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.334 17.732 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.395 17.929 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.265 16.189 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.106 16.289 2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.930 17.818 2.765 1.00 0.00 H new ATOM 783 N GLN A 52 -3.998 14.902 0.379 1.00 0.00 N ATOM 784 CA GLN A 52 -3.463 13.554 0.463 1.00 0.00 C ATOM 785 C GLN A 52 -2.048 13.580 1.045 1.00 0.00 C ATOM 786 O GLN A 52 -1.729 12.806 1.947 1.00 0.00 O ATOM 787 CB GLN A 52 -3.480 12.871 -0.906 1.00 0.00 C ATOM 788 CG GLN A 52 -4.913 12.574 -1.352 1.00 0.00 C ATOM 789 CD GLN A 52 -5.602 11.612 -0.381 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.242 10.454 -0.254 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.609 12.157 0.295 1.00 0.00 N ATOM 0 H GLN A 52 -4.434 15.133 -0.514 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.099 12.973 1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.991 13.510 -1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.910 11.943 -0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.479 13.504 -1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.904 12.142 -2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.858 13.134 0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.133 11.598 0.969 1.00 0.00 H new ATOM 800 N ARG A 53 -1.237 14.478 0.505 1.00 0.00 N ATOM 801 CA ARG A 53 0.136 14.615 0.959 1.00 0.00 C ATOM 802 C ARG A 53 0.174 14.865 2.468 1.00 0.00 C ATOM 803 O ARG A 53 0.590 13.998 3.235 1.00 0.00 O ATOM 804 CB ARG A 53 0.842 15.767 0.240 1.00 0.00 C ATOM 805 CG ARG A 53 2.345 15.753 0.527 1.00 0.00 C ATOM 806 CD ARG A 53 3.099 16.648 -0.459 1.00 0.00 C ATOM 807 NE ARG A 53 3.818 17.714 0.273 1.00 0.00 N ATOM 808 CZ ARG A 53 4.570 18.654 -0.316 1.00 0.00 C ATOM 809 NH1 ARG A 53 4.705 18.666 -1.649 1.00 0.00 N ATOM 810 NH2 ARG A 53 5.186 19.583 0.428 1.00 0.00 N ATOM 0 H ARG A 53 -1.505 15.118 -0.243 1.00 0.00 H new ATOM 0 HA ARG A 53 0.656 13.685 0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.672 15.689 -0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.415 16.717 0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.528 16.094 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.722 14.733 0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.806 16.052 -1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.400 17.091 -1.169 1.00 0.00 H new ATOM 0 HE ARG A 53 3.736 17.735 1.290 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.235 17.960 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.277 19.381 -2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.083 19.575 1.443 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.758 20.298 -0.020 1.00 0.00 H new ATOM 824 N GLN A 54 -0.267 16.055 2.850 1.00 0.00 N ATOM 825 CA GLN A 54 -0.289 16.430 4.253 1.00 0.00 C ATOM 826 C GLN A 54 -0.722 15.242 5.114 1.00 0.00 C ATOM 827 O GLN A 54 -0.051 14.897 6.085 1.00 0.00 O ATOM 828 CB GLN A 54 -1.203 17.636 4.484 1.00 0.00 C ATOM 829 CG GLN A 54 -0.551 18.923 3.975 1.00 0.00 C ATOM 830 CD GLN A 54 0.799 19.161 4.656 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.931 19.101 5.867 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.790 19.433 3.812 1.00 0.00 N ATOM 0 H GLN A 54 -0.612 16.772 2.212 1.00 0.00 H new ATOM 0 HA GLN A 54 0.720 16.718 4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.154 17.479 3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.423 17.732 5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.412 18.862 2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.212 19.769 4.164 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.610 19.468 2.809 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.730 19.607 4.168 1.00 0.00 H new ATOM 841 N TRP A 55 -1.842 14.648 4.726 1.00 0.00 N ATOM 842 CA TRP A 55 -2.372 13.506 5.450 1.00 0.00 C ATOM 843 C TRP A 55 -1.217 12.539 5.720 1.00 0.00 C ATOM 844 O TRP A 55 -1.007 12.120 6.857 1.00 0.00 O ATOM 845 CB TRP A 55 -3.527 12.858 4.683 1.00 0.00 C ATOM 846 CG TRP A 55 -4.225 11.730 5.444 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.312 11.809 6.223 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.836 10.340 5.468 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.652 10.577 6.745 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.726 9.655 6.271 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.768 9.683 4.831 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.638 8.279 6.512 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.695 8.307 5.082 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.582 7.604 5.888 1.00 0.00 C ATOM 0 H TRP A 55 -2.396 14.937 3.920 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.795 13.818 6.405 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.261 13.625 4.437 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.148 12.465 3.740 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.854 12.722 6.418 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.438 10.380 7.364 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.060 10.199 4.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.347 7.766 7.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.893 7.754 4.616 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.457 6.541 6.033 1.00 0.00 H new ATOM 865 N MET A 56 -0.499 12.214 4.655 1.00 0.00 N ATOM 866 CA MET A 56 0.629 11.305 4.763 1.00 0.00 C ATOM 867 C MET A 56 1.615 11.778 5.833 1.00 0.00 C ATOM 868 O MET A 56 1.956 11.025 6.744 1.00 0.00 O ATOM 869 CB MET A 56 1.345 11.216 3.413 1.00 0.00 C ATOM 870 CG MET A 56 2.418 10.126 3.432 1.00 0.00 C ATOM 871 SD MET A 56 3.095 9.908 1.795 1.00 0.00 S ATOM 872 CE MET A 56 4.031 11.420 1.642 1.00 0.00 C ATOM 0 H MET A 56 -0.677 12.564 3.713 1.00 0.00 H new ATOM 0 HA MET A 56 0.253 10.323 5.051 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.621 11.004 2.626 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.802 12.177 3.176 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.211 10.397 4.129 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.989 9.188 3.785 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.762 11.316 0.840 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.356 12.244 1.413 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.548 11.624 2.579 1.00 0.00 H new ATOM 882 N TYR A 57 2.044 13.023 5.688 1.00 0.00 N ATOM 883 CA TYR A 57 2.983 13.606 6.631 1.00 0.00 C ATOM 884 C TYR A 57 2.475 13.467 8.067 1.00 0.00 C ATOM 885 O TYR A 57 3.248 13.584 9.017 1.00 0.00 O ATOM 886 CB TYR A 57 3.071 15.091 6.275 1.00 0.00 C ATOM 887 CG TYR A 57 4.020 15.397 5.114 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.104 14.530 4.044 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.792 16.541 5.137 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.996 14.819 2.952 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.684 16.830 4.045 1.00 0.00 C ATOM 892 CZ TYR A 57 5.743 15.954 3.006 1.00 0.00 C ATOM 893 OH TYR A 57 6.586 16.227 1.974 1.00 0.00 O ATOM 0 H TYR A 57 1.758 13.644 4.931 1.00 0.00 H new ATOM 0 HA TYR A 57 3.949 13.104 6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.075 15.453 6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.398 15.646 7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.500 13.635 4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.727 17.220 5.975 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.070 14.149 2.108 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.293 17.722 4.050 1.00 0.00 H new ATOM 0 HH TYR A 57 7.054 17.070 2.148 1.00 0.00 H new ATOM 903 N LYS A 58 1.179 13.219 8.181 1.00 0.00 N ATOM 904 CA LYS A 58 0.558 13.063 9.486 1.00 0.00 C ATOM 905 C LYS A 58 0.457 11.574 9.823 1.00 0.00 C ATOM 906 O LYS A 58 0.310 11.206 10.987 1.00 0.00 O ATOM 907 CB LYS A 58 -0.783 13.798 9.533 1.00 0.00 C ATOM 908 CG LYS A 58 -0.620 15.264 9.126 1.00 0.00 C ATOM 909 CD LYS A 58 -1.528 16.168 9.962 1.00 0.00 C ATOM 910 CE LYS A 58 -1.841 17.468 9.219 1.00 0.00 C ATOM 911 NZ LYS A 58 -0.683 18.388 9.272 1.00 0.00 N ATOM 0 H LYS A 58 0.541 13.122 7.391 1.00 0.00 H new ATOM 0 HA LYS A 58 1.174 13.524 10.259 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.493 13.309 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.198 13.740 10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.419 15.568 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.858 15.381 8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.456 15.644 10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.045 16.395 10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.092 17.249 8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.714 17.947 9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.913 19.265 8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.462 18.611 10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.141 17.935 8.827 1.00 0.00 H new ATOM 925 N ASN A 59 0.538 10.758 8.783 1.00 0.00 N ATOM 926 CA ASN A 59 0.457 9.318 8.953 1.00 0.00 C ATOM 927 C ASN A 59 1.836 8.701 8.709 1.00 0.00 C ATOM 928 O ASN A 59 1.946 7.639 8.098 1.00 0.00 O ATOM 929 CB ASN A 59 -0.521 8.698 7.954 1.00 0.00 C ATOM 930 CG ASN A 59 -1.957 9.136 8.249 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.869 8.332 8.357 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.107 10.452 8.374 1.00 0.00 N ATOM 0 H ASN A 59 0.659 11.067 7.819 1.00 0.00 H new ATOM 0 HA ASN A 59 0.111 9.118 9.967 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.248 8.993 6.941 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.452 7.611 7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.028 10.844 8.572 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.301 11.069 8.272 1.00 0.00 H new ATOM 939 N VAL A 60 2.854 9.393 9.200 1.00 0.00 N ATOM 940 CA VAL A 60 4.221 8.926 9.042 1.00 0.00 C ATOM 941 C VAL A 60 5.090 9.525 10.150 1.00 0.00 C ATOM 942 O VAL A 60 5.272 10.740 10.214 1.00 0.00 O ATOM 943 CB VAL A 60 4.729 9.260 7.638 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.209 8.899 7.491 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.886 8.561 6.570 1.00 0.00 C ATOM 0 H VAL A 60 2.760 10.273 9.707 1.00 0.00 H new ATOM 0 HA VAL A 60 4.268 7.842 9.141 1.00 0.00 H new ATOM 0 HB VAL A 60 4.630 10.336 7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.546 9.146 6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.795 9.462 8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.342 7.831 7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.268 8.815 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.939 7.482 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.849 8.887 6.653 1.00 0.00 H new ATOM 955 N PRO A 61 5.618 8.621 11.018 1.00 0.00 N ATOM 956 CA PRO A 61 6.464 9.047 12.120 1.00 0.00 C ATOM 957 C PRO A 61 7.858 9.435 11.623 1.00 0.00 C ATOM 958 O PRO A 61 8.200 9.187 10.468 1.00 0.00 O ATOM 959 CB PRO A 61 6.483 7.868 13.080 1.00 0.00 C ATOM 960 CG PRO A 61 6.032 6.663 12.270 1.00 0.00 C ATOM 961 CD PRO A 61 5.425 7.174 10.974 1.00 0.00 C ATOM 0 HA PRO A 61 6.089 9.942 12.616 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.482 7.713 13.488 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.817 8.042 13.925 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.876 6.005 12.063 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.301 6.079 12.829 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.918 6.735 10.106 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.368 6.918 10.904 1.00 0.00 H new ATOM 969 N PRO A 62 8.644 10.054 12.544 1.00 0.00 N ATOM 970 CA PRO A 62 9.993 10.479 12.211 1.00 0.00 C ATOM 971 C PRO A 62 10.946 9.283 12.150 1.00 0.00 C ATOM 972 O PRO A 62 11.930 9.306 11.413 1.00 0.00 O ATOM 973 CB PRO A 62 10.367 11.481 13.291 1.00 0.00 C ATOM 974 CG PRO A 62 9.404 11.234 14.441 1.00 0.00 C ATOM 975 CD PRO A 62 8.272 10.363 13.921 1.00 0.00 C ATOM 0 HA PRO A 62 10.059 10.934 11.223 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.400 11.343 13.610 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.281 12.503 12.922 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.915 10.742 15.268 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.015 12.178 14.823 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.166 9.456 14.515 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.317 10.887 13.965 1.00 0.00 H new ATOM 983 N GLU A 63 10.619 8.266 12.934 1.00 0.00 N ATOM 984 CA GLU A 63 11.433 7.063 12.978 1.00 0.00 C ATOM 985 C GLU A 63 11.311 6.291 11.663 1.00 0.00 C ATOM 986 O GLU A 63 12.126 5.416 11.375 1.00 0.00 O ATOM 987 CB GLU A 63 11.048 6.184 14.169 1.00 0.00 C ATOM 988 CG GLU A 63 9.528 6.131 14.342 1.00 0.00 C ATOM 989 CD GLU A 63 9.108 4.880 15.117 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.056 4.975 16.362 1.00 0.00 O ATOM 991 OE2 GLU A 63 8.848 3.858 14.447 1.00 0.00 O ATOM 0 H GLU A 63 9.801 8.250 13.544 1.00 0.00 H new ATOM 0 HA GLU A 63 12.475 7.357 13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.436 5.176 14.022 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.508 6.574 15.077 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.187 7.022 14.870 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.047 6.136 13.364 1.00 0.00 H new ATOM 998 N LYS A 64 10.286 6.643 10.901 1.00 0.00 N ATOM 999 CA LYS A 64 10.046 5.993 9.623 1.00 0.00 C ATOM 1000 C LYS A 64 10.491 6.923 8.492 1.00 0.00 C ATOM 1001 O LYS A 64 10.901 6.460 7.429 1.00 0.00 O ATOM 1002 CB LYS A 64 8.586 5.547 9.514 1.00 0.00 C ATOM 1003 CG LYS A 64 8.257 4.488 10.568 1.00 0.00 C ATOM 1004 CD LYS A 64 8.878 3.139 10.203 1.00 0.00 C ATOM 1005 CE LYS A 64 7.987 1.983 10.661 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.722 0.700 10.587 1.00 0.00 N ATOM 0 H LYS A 64 9.612 7.369 11.143 1.00 0.00 H new ATOM 0 HA LYS A 64 10.640 5.083 9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.929 6.407 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.398 5.145 8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.627 4.811 11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.176 4.382 10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.027 3.083 9.125 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.861 3.050 10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.651 2.158 11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.095 1.934 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.102 -0.074 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.021 0.527 9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.560 0.744 11.202 1.00 0.00 H new ATOM 1020 N LYS A 65 10.394 8.217 8.760 1.00 0.00 N ATOM 1021 CA LYS A 65 10.781 9.215 7.778 1.00 0.00 C ATOM 1022 C LYS A 65 12.051 8.753 7.061 1.00 0.00 C ATOM 1023 O LYS A 65 13.086 8.547 7.693 1.00 0.00 O ATOM 1024 CB LYS A 65 10.913 10.591 8.436 1.00 0.00 C ATOM 1025 CG LYS A 65 9.568 11.319 8.456 1.00 0.00 C ATOM 1026 CD LYS A 65 9.705 12.707 9.085 1.00 0.00 C ATOM 1027 CE LYS A 65 8.480 13.048 9.936 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.695 14.314 10.670 1.00 0.00 N ATOM 0 H LYS A 65 10.053 8.597 9.643 1.00 0.00 H new ATOM 0 HA LYS A 65 10.006 9.323 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.284 10.477 9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.646 11.189 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.186 11.413 7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.841 10.732 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.602 12.743 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.827 13.455 8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.600 13.135 9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.284 12.241 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.854 14.531 11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.522 14.218 11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.860 15.085 9.992 1.00 0.00 H new ATOM 1042 N PRO A 66 11.927 8.599 5.715 1.00 0.00 N ATOM 1043 CA PRO A 66 13.052 8.165 4.905 1.00 0.00 C ATOM 1044 C PRO A 66 14.062 9.298 4.716 1.00 0.00 C ATOM 1045 O PRO A 66 13.838 10.417 5.176 1.00 0.00 O ATOM 1046 CB PRO A 66 12.437 7.695 3.597 1.00 0.00 C ATOM 1047 CG PRO A 66 11.048 8.311 3.544 1.00 0.00 C ATOM 1048 CD PRO A 66 10.717 8.833 4.932 1.00 0.00 C ATOM 0 HA PRO A 66 13.622 7.363 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.038 8.014 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.383 6.607 3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.017 9.120 2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.313 7.570 3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.461 9.892 4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.862 8.309 5.359 1.00 0.00 H new ATOM 1094 N ASN A 70 10.694 15.606 5.993 1.00 0.00 N ATOM 1095 CA ASN A 70 9.344 15.144 5.718 1.00 0.00 C ATOM 1096 C ASN A 70 9.407 13.790 5.008 1.00 0.00 C ATOM 1097 O ASN A 70 10.412 13.460 4.381 1.00 0.00 O ATOM 1098 CB ASN A 70 8.602 16.122 4.805 1.00 0.00 C ATOM 1099 CG ASN A 70 9.523 16.650 3.703 1.00 0.00 C ATOM 1100 OD1 ASN A 70 9.781 15.994 2.707 1.00 0.00 O ATOM 1101 ND2 ASN A 70 10.003 17.868 3.936 1.00 0.00 N ATOM 0 HA ASN A 70 8.815 15.065 6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.741 15.625 4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.219 16.955 5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.627 18.308 3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.747 18.362 4.791 1.00 0.00 H new ATOM 1108 N PRO A 71 8.291 13.022 5.135 1.00 0.00 N ATOM 1109 CA PRO A 71 8.210 11.712 4.512 1.00 0.00 C ATOM 1110 C PRO A 71 7.998 11.834 3.002 1.00 0.00 C ATOM 1111 O PRO A 71 7.224 12.674 2.547 1.00 0.00 O ATOM 1112 CB PRO A 71 7.062 11.011 5.219 1.00 0.00 C ATOM 1113 CG PRO A 71 6.247 12.110 5.882 1.00 0.00 C ATOM 1114 CD PRO A 71 7.082 13.380 5.870 1.00 0.00 C ATOM 0 HA PRO A 71 9.132 11.140 4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.454 10.447 4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.434 10.301 5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.309 12.265 5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.990 11.831 6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.551 14.198 5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.317 13.709 6.882 1.00 0.00 H new ATOM 1122 N LEU A 72 8.698 10.983 2.267 1.00 0.00 N ATOM 1123 CA LEU A 72 8.596 10.985 0.818 1.00 0.00 C ATOM 1124 C LEU A 72 8.086 9.622 0.345 1.00 0.00 C ATOM 1125 O LEU A 72 8.205 8.629 1.061 1.00 0.00 O ATOM 1126 CB LEU A 72 9.928 11.396 0.187 1.00 0.00 C ATOM 1127 CG LEU A 72 10.425 12.802 0.527 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.899 12.968 0.153 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.544 13.869 -0.127 1.00 0.00 C ATOM 0 H LEU A 72 9.339 10.287 2.648 1.00 0.00 H new ATOM 0 HA LEU A 72 7.871 11.729 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.689 10.679 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.834 11.317 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 72 10.349 12.939 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.227 13.976 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.498 12.243 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.024 12.803 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.920 14.859 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.564 13.744 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.520 13.765 0.231 1.00 0.00 H new ATOM 1141 N PRO A 73 7.516 9.618 -0.889 1.00 0.00 N ATOM 1142 CA PRO A 73 6.987 8.394 -1.466 1.00 0.00 C ATOM 1143 C PRO A 73 8.118 7.483 -1.948 1.00 0.00 C ATOM 1144 O PRO A 73 9.274 7.900 -2.008 1.00 0.00 O ATOM 1145 CB PRO A 73 6.072 8.851 -2.590 1.00 0.00 C ATOM 1146 CG PRO A 73 6.479 10.282 -2.903 1.00 0.00 C ATOM 1147 CD PRO A 73 7.358 10.776 -1.765 1.00 0.00 C ATOM 0 HA PRO A 73 6.436 7.792 -0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.182 8.213 -3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.026 8.800 -2.288 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.018 10.327 -3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.598 10.915 -3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.322 11.128 -2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.893 11.610 -1.239 1.00 0.00 H new ATOM 1155 N PRO A 74 7.736 6.223 -2.289 1.00 0.00 N ATOM 1156 CA PRO A 74 6.346 5.810 -2.189 1.00 0.00 C ATOM 1157 C PRO A 74 5.948 5.574 -0.731 1.00 0.00 C ATOM 1158 O PRO A 74 6.803 5.319 0.116 1.00 0.00 O ATOM 1159 CB PRO A 74 6.246 4.557 -3.043 1.00 0.00 C ATOM 1160 CG PRO A 74 7.670 4.052 -3.212 1.00 0.00 C ATOM 1161 CD PRO A 74 8.612 5.163 -2.777 1.00 0.00 C ATOM 0 HA PRO A 74 5.653 6.573 -2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.620 3.806 -2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.793 4.778 -4.009 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.832 3.157 -2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.857 3.777 -4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.293 4.822 -1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.227 5.509 -3.608 1.00 0.00 H new ATOM 1169 N GLN A 75 4.650 5.666 -0.483 1.00 0.00 N ATOM 1170 CA GLN A 75 4.128 5.465 0.859 1.00 0.00 C ATOM 1171 C GLN A 75 2.816 4.681 0.806 1.00 0.00 C ATOM 1172 O GLN A 75 1.739 5.254 0.962 1.00 0.00 O ATOM 1173 CB GLN A 75 3.940 6.801 1.579 1.00 0.00 C ATOM 1174 CG GLN A 75 5.290 7.435 1.923 1.00 0.00 C ATOM 1175 CD GLN A 75 5.636 7.220 3.397 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.777 7.039 4.244 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.941 7.249 3.656 1.00 0.00 N ATOM 0 H GLN A 75 3.944 5.877 -1.188 1.00 0.00 H new ATOM 0 HA GLN A 75 4.853 4.883 1.427 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.366 7.480 0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.363 6.648 2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.069 7.002 1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.261 8.502 1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.608 7.405 2.900 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.275 7.115 4.611 1.00 0.00 H new ATOM 1186 N ILE A 76 2.949 3.381 0.585 1.00 0.00 N ATOM 1187 CA ILE A 76 1.786 2.512 0.509 1.00 0.00 C ATOM 1188 C ILE A 76 0.915 2.725 1.748 1.00 0.00 C ATOM 1189 O ILE A 76 1.420 3.069 2.816 1.00 0.00 O ATOM 1190 CB ILE A 76 2.217 1.059 0.302 1.00 0.00 C ATOM 1191 CG1 ILE A 76 2.892 0.875 -1.059 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.035 0.105 0.489 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.363 0.488 -0.893 1.00 0.00 C ATOM 0 H ILE A 76 3.844 2.909 0.456 1.00 0.00 H new ATOM 0 HA ILE A 76 1.175 2.766 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 76 2.956 0.810 1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.371 0.104 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.818 1.798 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.368 -0.922 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.638 0.211 1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.256 0.345 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.819 0.363 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.886 1.273 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.433 -0.448 -0.339 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.380 2.511 1.566 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.327 2.675 2.655 1.00 0.00 C ATOM 1207 C PHE A 77 -2.586 1.840 2.418 1.00 0.00 C ATOM 1208 O PHE A 77 -3.398 2.166 1.553 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.711 4.156 2.695 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.678 5.048 3.386 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.439 4.908 4.717 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.001 5.983 2.668 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.520 5.736 5.358 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.960 6.811 3.309 1.00 0.00 C ATOM 1215 CZ PHE A 77 1.199 6.670 4.640 1.00 0.00 C ATOM 0 H PHE A 77 -0.796 2.225 0.679 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.877 2.346 3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.858 4.510 1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.667 4.259 3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.979 4.167 5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.189 6.095 1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.710 5.624 6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.500 7.553 2.739 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.928 7.300 5.127 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.711 0.779 3.202 1.00 0.00 N ATOM 1226 CA ASN A 78 -3.858 -0.106 3.087 1.00 0.00 C ATOM 1227 C ASN A 78 -5.043 0.504 3.837 1.00 0.00 C ATOM 1228 O ASN A 78 -5.194 0.300 5.040 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.562 -1.474 3.705 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.703 -2.456 3.434 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -5.853 -2.218 3.763 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.322 -3.571 2.817 1.00 0.00 N ATOM 0 H ASN A 78 -2.037 0.512 3.919 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.084 -0.230 2.028 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.632 -1.869 3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.416 -1.368 4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.010 -4.290 2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.342 -3.707 2.569 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.856 1.242 3.094 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.024 1.884 3.673 1.00 0.00 C ATOM 1241 C GLY A 79 -6.635 2.751 4.873 1.00 0.00 C ATOM 1242 O GLY A 79 -7.152 2.563 5.972 1.00 0.00 O ATOM 0 H GLY A 79 -5.728 1.409 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.516 2.499 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.743 1.126 3.985 1.00 0.00 H new ATOM 1246 N ASP A 80 -5.726 3.681 4.620 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.262 4.577 5.665 1.00 0.00 C ATOM 1248 C ASP A 80 -4.161 3.886 6.472 1.00 0.00 C ATOM 1249 O ASP A 80 -3.216 4.532 6.920 1.00 0.00 O ATOM 1250 CB ASP A 80 -6.397 4.939 6.625 1.00 0.00 C ATOM 1251 CG ASP A 80 -6.287 4.317 8.018 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -6.261 3.069 8.083 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -6.233 5.104 8.988 1.00 0.00 O ATOM 0 H ASP A 80 -5.299 3.833 3.707 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.889 5.484 5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.433 6.023 6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.343 4.630 6.179 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.322 2.581 6.634 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.354 1.794 7.380 1.00 0.00 C ATOM 1260 C ARG A 81 -1.941 2.055 6.854 1.00 0.00 C ATOM 1261 O ARG A 81 -1.689 1.936 5.656 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.662 0.299 7.276 1.00 0.00 C ATOM 1263 CG ARG A 81 -2.976 -0.481 8.399 1.00 0.00 C ATOM 1264 CD ARG A 81 -3.893 -1.577 8.946 1.00 0.00 C ATOM 1265 NE ARG A 81 -3.105 -2.791 9.252 1.00 0.00 N ATOM 1266 CZ ARG A 81 -3.630 -3.926 9.733 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -4.947 -4.010 9.964 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -2.837 -4.978 9.981 1.00 0.00 N ATOM 0 H ARG A 81 -5.108 2.049 6.262 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.418 2.094 8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.739 0.142 7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.328 -0.078 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.054 -0.926 8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.699 0.201 9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.398 -1.225 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.668 -1.811 8.217 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.099 -2.762 9.086 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.550 -3.210 9.774 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.346 -4.874 10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.835 -4.914 9.804 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.236 -5.842 10.347 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.056 2.405 7.776 1.00 0.00 N ATOM 1283 CA TYR A 82 0.325 2.683 7.421 1.00 0.00 C ATOM 1284 C TYR A 82 1.041 1.409 6.966 1.00 0.00 C ATOM 1285 O TYR A 82 1.687 0.736 7.768 1.00 0.00 O ATOM 1286 CB TYR A 82 0.993 3.201 8.696 1.00 0.00 C ATOM 1287 CG TYR A 82 2.418 3.717 8.487 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.932 3.826 7.211 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.188 4.075 9.574 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.273 4.312 7.014 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.529 4.561 9.377 1.00 0.00 C ATOM 1292 CZ TYR A 82 5.005 4.656 8.107 1.00 0.00 C ATOM 1293 OH TYR A 82 6.272 5.115 7.921 1.00 0.00 O ATOM 0 H TYR A 82 -1.269 2.502 8.769 1.00 0.00 H new ATOM 0 HA TYR A 82 0.373 3.401 6.603 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.384 4.004 9.112 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.012 2.400 9.435 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.328 3.547 6.360 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.785 3.991 10.573 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.688 4.401 6.021 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.143 4.844 10.219 1.00 0.00 H new ATOM 0 HH TYR A 82 6.330 5.573 7.056 1.00 0.00 H new ATOM 1303 N CYS A 83 0.902 1.118 5.681 1.00 0.00 N ATOM 1304 CA CYS A 83 1.528 -0.063 5.110 1.00 0.00 C ATOM 1305 C CYS A 83 3.034 0.021 5.364 1.00 0.00 C ATOM 1306 O CYS A 83 3.541 -0.572 6.316 1.00 0.00 O ATOM 1307 CB CYS A 83 1.208 -0.209 3.621 1.00 0.00 C ATOM 1308 SG CYS A 83 2.025 -1.701 2.948 1.00 0.00 S ATOM 0 H CYS A 83 0.366 1.679 5.019 1.00 0.00 H new ATOM 0 HA CYS A 83 1.129 -0.957 5.590 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.130 -0.279 3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.545 0.675 3.080 1.00 0.00 H new ATOM 0 HG CYS A 83 3.242 -1.771 3.400 1.00 0.00 H new ATOM 1314 N GLY A 84 3.708 0.761 4.497 1.00 0.00 N ATOM 1315 CA GLY A 84 5.147 0.930 4.615 1.00 0.00 C ATOM 1316 C GLY A 84 5.733 1.549 3.345 1.00 0.00 C ATOM 1317 O GLY A 84 5.111 1.505 2.285 1.00 0.00 O ATOM 0 H GLY A 84 3.285 1.251 3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.373 1.566 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.616 -0.036 4.803 1.00 0.00 H new ATOM 1321 N ASP A 85 6.923 2.112 3.494 1.00 0.00 N ATOM 1322 CA ASP A 85 7.600 2.740 2.372 1.00 0.00 C ATOM 1323 C ASP A 85 8.163 1.655 1.451 1.00 0.00 C ATOM 1324 O ASP A 85 7.986 0.465 1.707 1.00 0.00 O ATOM 1325 CB ASP A 85 8.765 3.609 2.848 1.00 0.00 C ATOM 1326 CG ASP A 85 10.017 2.837 3.270 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.845 1.695 3.748 1.00 0.00 O ATOM 1328 OD2 ASP A 85 11.118 3.407 3.106 1.00 0.00 O ATOM 0 H ASP A 85 7.436 2.146 4.375 1.00 0.00 H new ATOM 0 HA ASP A 85 6.877 3.364 1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.034 4.299 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.428 4.213 3.690 1.00 0.00 H new ATOM 1333 N TYR A 86 8.831 2.106 0.399 1.00 0.00 N ATOM 1334 CA TYR A 86 9.422 1.189 -0.561 1.00 0.00 C ATOM 1335 C TYR A 86 10.283 0.138 0.143 1.00 0.00 C ATOM 1336 O TYR A 86 10.226 -1.044 -0.195 1.00 0.00 O ATOM 1337 CB TYR A 86 10.316 2.041 -1.464 1.00 0.00 C ATOM 1338 CG TYR A 86 11.336 1.235 -2.270 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.975 0.682 -3.482 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.616 1.061 -1.786 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.935 -0.077 -4.241 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.576 0.302 -2.545 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.188 -0.230 -3.735 1.00 0.00 C ATOM 1344 OH TYR A 86 14.095 -0.947 -4.452 1.00 0.00 O ATOM 0 H TYR A 86 8.976 3.094 0.191 1.00 0.00 H new ATOM 0 HA TYR A 86 8.646 0.664 -1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.687 2.604 -2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.847 2.769 -0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.973 0.818 -3.861 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.898 1.494 -0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.666 -0.515 -5.191 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.581 0.158 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 86 14.344 -1.752 -3.952 1.00 0.00 H new ATOM 1354 N ASP A 87 11.060 0.606 1.108 1.00 0.00 N ATOM 1355 CA ASP A 87 11.932 -0.279 1.863 1.00 0.00 C ATOM 1356 C ASP A 87 11.132 -1.494 2.336 1.00 0.00 C ATOM 1357 O ASP A 87 11.498 -2.633 2.050 1.00 0.00 O ATOM 1358 CB ASP A 87 12.497 0.426 3.098 1.00 0.00 C ATOM 1359 CG ASP A 87 14.024 0.477 3.171 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.650 -0.451 2.616 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.531 1.444 3.780 1.00 0.00 O ATOM 0 H ASP A 87 11.104 1.587 1.385 1.00 0.00 H new ATOM 0 HA ASP A 87 12.753 -0.579 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.113 1.446 3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.122 -0.078 3.989 1.00 0.00 H new ATOM 1366 N SER A 88 10.054 -1.210 3.053 1.00 0.00 N ATOM 1367 CA SER A 88 9.199 -2.265 3.569 1.00 0.00 C ATOM 1368 C SER A 88 8.777 -3.199 2.433 1.00 0.00 C ATOM 1369 O SER A 88 9.055 -4.397 2.473 1.00 0.00 O ATOM 1370 CB SER A 88 7.966 -1.685 4.264 1.00 0.00 C ATOM 1371 OG SER A 88 7.991 -1.909 5.671 1.00 0.00 O ATOM 0 H SER A 88 9.754 -0.264 3.289 1.00 0.00 H new ATOM 0 HA SER A 88 9.765 -2.833 4.307 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.910 -0.614 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.067 -2.134 3.841 1.00 0.00 H new ATOM 0 HG SER A 88 7.188 -1.522 6.078 1.00 0.00 H new ATOM 1377 N PHE A 89 8.112 -2.616 1.446 1.00 0.00 N ATOM 1378 CA PHE A 89 7.649 -3.382 0.301 1.00 0.00 C ATOM 1379 C PHE A 89 8.740 -4.329 -0.202 1.00 0.00 C ATOM 1380 O PHE A 89 8.524 -5.536 -0.296 1.00 0.00 O ATOM 1381 CB PHE A 89 7.313 -2.377 -0.802 1.00 0.00 C ATOM 1382 CG PHE A 89 6.894 -3.022 -2.125 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.784 -3.805 -2.178 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.633 -2.812 -3.248 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.395 -4.403 -3.406 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.244 -3.410 -4.475 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.133 -4.194 -4.529 1.00 0.00 C ATOM 0 H PHE A 89 7.883 -1.623 1.416 1.00 0.00 H new ATOM 0 HA PHE A 89 6.784 -3.984 0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.509 -1.728 -0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.182 -1.742 -0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.198 -3.972 -1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.515 -2.191 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.513 -5.024 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.830 -3.243 -5.367 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.838 -4.650 -5.463 1.00 0.00 H new ATOM 1397 N PHE A 90 9.888 -3.746 -0.514 1.00 0.00 N ATOM 1398 CA PHE A 90 11.013 -4.523 -1.006 1.00 0.00 C ATOM 1399 C PHE A 90 11.388 -5.630 -0.019 1.00 0.00 C ATOM 1400 O PHE A 90 11.471 -6.799 -0.393 1.00 0.00 O ATOM 1401 CB PHE A 90 12.193 -3.560 -1.147 1.00 0.00 C ATOM 1402 CG PHE A 90 13.346 -4.109 -1.990 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.073 -5.167 -1.541 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.644 -3.539 -3.189 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.143 -5.677 -2.323 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.714 -4.049 -3.971 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.441 -5.107 -3.522 1.00 0.00 C ATOM 0 H PHE A 90 10.063 -2.744 -0.436 1.00 0.00 H new ATOM 0 HA PHE A 90 10.755 -4.992 -1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.839 -2.631 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.568 -3.313 -0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 90 13.836 -5.620 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.067 -2.699 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 90 15.720 -6.517 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.951 -3.596 -4.923 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.255 -5.495 -4.117 1.00 0.00 H new ATOM 1417 N GLU A 91 11.604 -5.223 1.224 1.00 0.00 N ATOM 1418 CA GLU A 91 11.968 -6.165 2.268 1.00 0.00 C ATOM 1419 C GLU A 91 11.071 -7.403 2.202 1.00 0.00 C ATOM 1420 O GLU A 91 11.562 -8.531 2.220 1.00 0.00 O ATOM 1421 CB GLU A 91 11.896 -5.509 3.648 1.00 0.00 C ATOM 1422 CG GLU A 91 13.283 -5.431 4.290 1.00 0.00 C ATOM 1423 CD GLU A 91 13.418 -6.445 5.429 1.00 0.00 C ATOM 1424 OE1 GLU A 91 12.521 -6.444 6.299 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.415 -7.199 5.402 1.00 0.00 O ATOM 0 H GLU A 91 11.534 -4.253 1.531 1.00 0.00 H new ATOM 0 HA GLU A 91 12.999 -6.478 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.476 -4.507 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.225 -6.079 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.048 -5.621 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.455 -4.425 4.672 1.00 0.00 H new ATOM 1432 N SER A 92 9.773 -7.151 2.126 1.00 0.00 N ATOM 1433 CA SER A 92 8.803 -8.230 2.057 1.00 0.00 C ATOM 1434 C SER A 92 8.847 -8.886 0.675 1.00 0.00 C ATOM 1435 O SER A 92 8.560 -10.074 0.539 1.00 0.00 O ATOM 1436 CB SER A 92 7.391 -7.723 2.358 1.00 0.00 C ATOM 1437 OG SER A 92 7.015 -7.965 3.711 1.00 0.00 O ATOM 0 H SER A 92 9.370 -6.214 2.111 1.00 0.00 H new ATOM 0 HA SER A 92 9.063 -8.971 2.813 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.338 -6.654 2.153 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.680 -8.211 1.691 1.00 0.00 H new ATOM 0 HG SER A 92 6.668 -8.878 3.796 1.00 0.00 H new ATOM 1443 N LYS A 93 9.210 -8.083 -0.314 1.00 0.00 N ATOM 1444 CA LYS A 93 9.296 -8.571 -1.680 1.00 0.00 C ATOM 1445 C LYS A 93 10.291 -9.732 -1.742 1.00 0.00 C ATOM 1446 O LYS A 93 10.003 -10.770 -2.334 1.00 0.00 O ATOM 1447 CB LYS A 93 9.628 -7.425 -2.638 1.00 0.00 C ATOM 1448 CG LYS A 93 8.822 -7.543 -3.934 1.00 0.00 C ATOM 1449 CD LYS A 93 8.546 -6.163 -4.535 1.00 0.00 C ATOM 1450 CE LYS A 93 9.848 -5.389 -4.753 1.00 0.00 C ATOM 1451 NZ LYS A 93 9.957 -4.943 -6.159 1.00 0.00 N ATOM 0 H LYS A 93 9.448 -7.098 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 93 8.332 -8.960 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.413 -6.471 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.694 -7.434 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.369 -8.154 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.879 -8.052 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.022 -6.274 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.890 -5.599 -3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.880 -4.526 -4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.700 -6.020 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.585 -4.116 -6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.348 -5.713 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.015 -4.686 -6.516 1.00 0.00 H new ATOM 1465 N GLU A 94 11.441 -9.516 -1.121 1.00 0.00 N ATOM 1466 CA GLU A 94 12.481 -10.531 -1.097 1.00 0.00 C ATOM 1467 C GLU A 94 11.969 -11.799 -0.409 1.00 0.00 C ATOM 1468 O GLU A 94 12.429 -12.900 -0.708 1.00 0.00 O ATOM 1469 CB GLU A 94 13.744 -10.007 -0.411 1.00 0.00 C ATOM 1470 CG GLU A 94 14.417 -8.923 -1.256 1.00 0.00 C ATOM 1471 CD GLU A 94 15.922 -8.875 -0.987 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.288 -8.397 0.108 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.673 -9.317 -1.884 1.00 0.00 O ATOM 0 H GLU A 94 11.676 -8.653 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 94 12.743 -10.779 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.489 -9.603 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.440 -10.829 -0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.239 -9.118 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.973 -7.953 -1.031 1.00 0.00 H new ATOM 1480 N SER A 95 11.024 -11.601 0.499 1.00 0.00 N ATOM 1481 CA SER A 95 10.446 -12.714 1.231 1.00 0.00 C ATOM 1482 C SER A 95 9.113 -13.121 0.598 1.00 0.00 C ATOM 1483 O SER A 95 8.480 -14.079 1.039 1.00 0.00 O ATOM 1484 CB SER A 95 10.246 -12.359 2.706 1.00 0.00 C ATOM 1485 OG SER A 95 11.108 -13.109 3.557 1.00 0.00 O ATOM 0 H SER A 95 10.645 -10.686 0.744 1.00 0.00 H new ATOM 0 HA SER A 95 11.138 -13.554 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.430 -11.294 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.209 -12.544 2.986 1.00 0.00 H new ATOM 0 HG SER A 95 10.951 -12.852 4.490 1.00 0.00 H new ATOM 1491 N ASN A 96 8.728 -12.372 -0.425 1.00 0.00 N ATOM 1492 CA ASN A 96 7.482 -12.643 -1.122 1.00 0.00 C ATOM 1493 C ASN A 96 6.316 -12.528 -0.138 1.00 0.00 C ATOM 1494 O ASN A 96 5.510 -13.449 -0.016 1.00 0.00 O ATOM 1495 CB ASN A 96 7.473 -14.058 -1.704 1.00 0.00 C ATOM 1496 CG ASN A 96 6.696 -14.104 -3.021 1.00 0.00 C ATOM 1497 OD1 ASN A 96 5.566 -14.560 -3.090 1.00 0.00 O ATOM 1498 ND2 ASN A 96 7.362 -13.608 -4.060 1.00 0.00 N ATOM 0 H ASN A 96 9.256 -11.578 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 96 7.384 -11.920 -1.932 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.497 -14.393 -1.870 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.024 -14.747 -0.988 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.929 -13.594 -4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.306 -13.242 -3.933 1.00 0.00 H new ATOM 1505 N THR A 97 6.264 -11.390 0.538 1.00 0.00 N ATOM 1506 CA THR A 97 5.210 -11.144 1.507 1.00 0.00 C ATOM 1507 C THR A 97 4.466 -9.851 1.168 1.00 0.00 C ATOM 1508 O THR A 97 3.587 -9.422 1.915 1.00 0.00 O ATOM 1509 CB THR A 97 5.842 -11.134 2.901 1.00 0.00 C ATOM 1510 OG1 THR A 97 6.985 -10.295 2.758 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.424 -12.494 3.289 1.00 0.00 C ATOM 0 H THR A 97 6.934 -10.628 0.434 1.00 0.00 H new ATOM 0 HA THR A 97 4.457 -11.932 1.481 1.00 0.00 H new ATOM 0 HB THR A 97 5.095 -10.836 3.636 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.594 -10.441 3.512 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.860 -12.432 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.632 -13.243 3.285 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.195 -12.777 2.573 1.00 0.00 H new ATOM 1519 N VAL A 98 4.845 -9.265 0.042 1.00 0.00 N ATOM 1520 CA VAL A 98 4.224 -8.029 -0.405 1.00 0.00 C ATOM 1521 C VAL A 98 2.736 -8.054 -0.050 1.00 0.00 C ATOM 1522 O VAL A 98 2.231 -7.131 0.587 1.00 0.00 O ATOM 1523 CB VAL A 98 4.480 -7.827 -1.900 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.374 -6.980 -2.535 1.00 0.00 C ATOM 1525 CG2 VAL A 98 5.855 -7.203 -2.141 1.00 0.00 C ATOM 0 H VAL A 98 5.574 -9.623 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 98 4.665 -7.173 0.105 1.00 0.00 H new ATOM 0 HB VAL A 98 4.469 -8.807 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.579 -6.851 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.414 -7.481 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.340 -6.004 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.012 -7.070 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.907 -6.234 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.628 -7.859 -1.740 1.00 0.00 H new ATOM 1535 N PHE A 99 2.076 -9.120 -0.479 1.00 0.00 N ATOM 1536 CA PHE A 99 0.656 -9.276 -0.214 1.00 0.00 C ATOM 1537 C PHE A 99 0.349 -9.074 1.271 1.00 0.00 C ATOM 1538 O PHE A 99 -0.543 -8.304 1.625 1.00 0.00 O ATOM 1539 CB PHE A 99 0.282 -10.706 -0.610 1.00 0.00 C ATOM 1540 CG PHE A 99 0.189 -10.930 -2.120 1.00 0.00 C ATOM 1541 CD1 PHE A 99 -0.956 -10.618 -2.785 1.00 0.00 C ATOM 1542 CD2 PHE A 99 1.251 -11.441 -2.799 1.00 0.00 C ATOM 1543 CE1 PHE A 99 -1.043 -10.826 -4.187 1.00 0.00 C ATOM 1544 CE2 PHE A 99 1.165 -11.648 -4.201 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.020 -11.336 -4.865 1.00 0.00 C ATOM 0 H PHE A 99 2.498 -9.883 -1.008 1.00 0.00 H new ATOM 0 HA PHE A 99 0.089 -8.536 -0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.022 -11.392 -0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.676 -10.959 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.799 -10.212 -2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.160 -11.689 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.953 -10.579 -4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.009 -12.053 -4.740 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.045 -11.493 -5.931 1.00 0.00 H new ATOM 1555 N SER A 100 1.105 -9.778 2.100 1.00 0.00 N ATOM 1556 CA SER A 100 0.925 -9.685 3.539 1.00 0.00 C ATOM 1557 C SER A 100 1.378 -8.311 4.035 1.00 0.00 C ATOM 1558 O SER A 100 0.737 -7.718 4.902 1.00 0.00 O ATOM 1559 CB SER A 100 1.696 -10.791 4.263 1.00 0.00 C ATOM 1560 OG SER A 100 1.082 -11.149 5.498 1.00 0.00 O ATOM 0 H SER A 100 1.844 -10.415 1.803 1.00 0.00 H new ATOM 0 HA SER A 100 -0.135 -9.813 3.760 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.758 -11.670 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.717 -10.459 4.449 1.00 0.00 H new ATOM 0 HG SER A 100 1.603 -11.859 5.929 1.00 0.00 H new ATOM 1566 N PHE A 101 2.479 -7.844 3.465 1.00 0.00 N ATOM 1567 CA PHE A 101 3.025 -6.550 3.839 1.00 0.00 C ATOM 1568 C PHE A 101 1.962 -5.455 3.734 1.00 0.00 C ATOM 1569 O PHE A 101 1.953 -4.516 4.527 1.00 0.00 O ATOM 1570 CB PHE A 101 4.157 -6.242 2.857 1.00 0.00 C ATOM 1571 CG PHE A 101 4.405 -4.747 2.644 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.548 -3.922 3.715 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.483 -4.244 1.383 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.778 -2.535 3.517 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.714 -2.857 1.185 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.857 -2.031 2.256 1.00 0.00 C ATOM 0 H PHE A 101 3.008 -8.339 2.747 1.00 0.00 H new ATOM 0 HA PHE A 101 3.377 -6.579 4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.075 -6.704 3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.926 -6.702 1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.487 -4.322 4.716 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.369 -4.899 0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.890 -1.880 4.368 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.776 -2.458 0.183 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.033 -0.976 2.105 1.00 0.00 H new ATOM 1586 N LEU A 102 1.091 -5.613 2.748 1.00 0.00 N ATOM 1587 CA LEU A 102 0.026 -4.650 2.528 1.00 0.00 C ATOM 1588 C LEU A 102 -1.205 -5.063 3.338 1.00 0.00 C ATOM 1589 O LEU A 102 -2.053 -4.231 3.654 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.249 -4.486 1.032 1.00 0.00 C ATOM 1591 CG LEU A 102 0.973 -4.553 0.114 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.704 -5.452 -1.094 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.422 -3.151 -0.303 1.00 0.00 C ATOM 0 H LEU A 102 1.101 -6.394 2.092 1.00 0.00 H new ATOM 0 HA LEU A 102 0.326 -3.664 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.952 -5.260 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.743 -3.527 0.877 1.00 0.00 H new ATOM 0 HG LEU A 102 1.795 -5.002 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.589 -5.482 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.469 -6.460 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.138 -5.056 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.292 -3.227 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.612 -2.653 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.682 -2.573 0.584 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.263 -6.350 3.651 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.375 -6.884 4.418 1.00 0.00 C ATOM 1607 C GLY A 103 -3.391 -7.571 3.504 1.00 0.00 C ATOM 1608 O GLY A 103 -4.595 -7.510 3.752 1.00 0.00 O ATOM 0 H GLY A 103 -0.558 -7.038 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.004 -7.596 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.862 -6.079 4.969 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.870 -8.209 2.466 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.716 -8.907 1.514 1.00 0.00 C ATOM 1614 C LEU A 104 -3.835 -10.376 1.925 1.00 0.00 C ATOM 1615 O LEU A 104 -4.522 -10.701 2.892 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.198 -8.706 0.089 1.00 0.00 C ATOM 1617 CG LEU A 104 -3.175 -7.263 -0.420 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.353 -7.148 -1.705 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.594 -6.721 -0.597 1.00 0.00 C ATOM 0 H LEU A 104 -1.871 -8.257 2.264 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.724 -8.491 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.186 -9.106 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.814 -9.299 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.686 -6.644 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.353 -6.113 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.329 -7.466 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.791 -7.783 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.549 -5.694 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.131 -7.337 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.115 -6.745 0.360 1.00 0.00 H new