USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=19 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 75 GLN : amide:sc= -0.366 K(o=-0.42,f=-5!) USER MOD Set 1.2: A 82 TYR OH : rot 40:sc= -0.0515 USER MOD Set 2.1: A 18 SER OG : rot -93:sc= 1.38 USER MOD Set 2.2: A 24 LYS NZ :NH3+ -147:sc= 1.32 (180deg=-0.137) 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0.00117 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -13.4! C(o=-13!,f=-24!) USER MOD Single : A 28 GLN : amide:sc= -0.011 K(o=-0.011,f=-0.56) USER MOD Single : A 37 ASN : amide:sc= 0.0346 K(o=0.035,f=-0.99) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -70:sc= 0 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= -0.454 K(o=-0.45,f=-2.9!) USER MOD Single : A 54 GLN : amide:sc= -0.87 X(o=-0.87,f=-0.68) USER MOD Single : A 56 MET CE :methyl -164:sc= -1.6 (180deg=-2.27!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0.0223 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -8.12! C(o=-8.1!,f=-8.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -128:sc= -0.27 (180deg=-2.86!) USER MOD Single : A 70 ASN : amide:sc=-0.00793 X(o=-0.0079,f=0) USER MOD Single : A 78 ASN : amide:sc= -2.55! C(o=-2.6!,f=-1.8!) USER MOD Single : A 83 CYS SG : rot -173:sc= -4.79! USER MOD Single : A 86 TYR OH : rot -75:sc= 0.583 USER MOD Single : A 88 SER OG : rot -150:sc= 0 USER MOD Single : A 92 SER OG : rot 74:sc= -1.12 USER MOD Single : A 93 LYS NZ :NH3+ 126:sc= -0.304 (180deg=-1.43) 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 97 THR OG1 : rot 180:sc= -0.0393 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -7.911 -1.675 -1.362 1.00 0.00 N ATOM 84 CA VAL A 9 -7.215 -0.859 -2.341 1.00 0.00 C ATOM 85 C VAL A 9 -5.919 -0.326 -1.726 1.00 0.00 C ATOM 86 O VAL A 9 -5.944 0.622 -0.942 1.00 0.00 O ATOM 87 CB VAL A 9 -8.138 0.252 -2.847 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.330 1.406 -3.444 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.146 -0.293 -3.861 1.00 0.00 C ATOM 0 HA VAL A 9 -6.940 -1.456 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.696 0.639 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.010 2.182 -3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.670 1.820 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.734 1.039 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.790 0.516 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.613 -0.719 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.754 -1.065 -3.390 1.00 0.00 H new ATOM 99 N ILE A 10 -4.818 -0.958 -2.105 1.00 0.00 N ATOM 100 CA ILE A 10 -3.515 -0.559 -1.600 1.00 0.00 C ATOM 101 C ILE A 10 -3.188 0.849 -2.103 1.00 0.00 C ATOM 102 O ILE A 10 -2.380 1.013 -3.016 1.00 0.00 O ATOM 103 CB ILE A 10 -2.458 -1.603 -1.963 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.818 -2.972 -1.382 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.064 -1.145 -1.529 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.130 -2.870 0.112 1.00 0.00 C ATOM 0 H ILE A 10 -4.801 -1.743 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.525 -0.515 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.439 -1.708 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.680 -3.380 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.992 -3.666 -1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.331 -1.905 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.817 -0.209 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.050 -0.994 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.383 -3.857 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.258 -2.485 0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.972 -2.195 0.263 1.00 0.00 H new ATOM 118 N ARG A 11 -3.831 1.828 -1.485 1.00 0.00 N ATOM 119 CA ARG A 11 -3.618 3.216 -1.859 1.00 0.00 C ATOM 120 C ARG A 11 -2.130 3.563 -1.785 1.00 0.00 C ATOM 121 O ARG A 11 -1.565 3.663 -0.697 1.00 0.00 O ATOM 122 CB ARG A 11 -4.400 4.159 -0.942 1.00 0.00 C ATOM 123 CG ARG A 11 -5.908 3.980 -1.130 1.00 0.00 C ATOM 124 CD ARG A 11 -6.691 4.873 -0.164 1.00 0.00 C ATOM 125 NE ARG A 11 -8.129 4.528 -0.208 1.00 0.00 N ATOM 126 CZ ARG A 11 -8.999 4.808 0.772 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.582 5.440 1.878 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.286 4.457 0.646 1.00 0.00 N ATOM 0 H ARG A 11 -4.500 1.688 -0.728 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.974 3.343 -2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.134 3.965 0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.123 5.192 -1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.181 4.222 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.177 2.937 -0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.310 4.748 0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.552 5.921 -0.430 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.480 4.047 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.602 5.708 1.974 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.244 5.653 2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.604 3.977 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.948 4.670 1.392 1.00 0.00 H new ATOM 142 N VAL A 12 -1.537 3.737 -2.958 1.00 0.00 N ATOM 143 CA VAL A 12 -0.126 4.071 -3.040 1.00 0.00 C ATOM 144 C VAL A 12 0.024 5.557 -3.371 1.00 0.00 C ATOM 145 O VAL A 12 -0.488 6.026 -4.386 1.00 0.00 O ATOM 146 CB VAL A 12 0.569 3.160 -4.054 1.00 0.00 C ATOM 147 CG1 VAL A 12 2.011 3.610 -4.299 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.520 1.699 -3.602 1.00 0.00 C ATOM 0 H VAL A 12 -2.009 3.653 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 12 0.363 3.901 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 12 0.030 3.237 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.481 2.945 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.013 4.629 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.567 3.577 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.021 1.073 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.023 1.599 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.519 1.383 -3.503 1.00 0.00 H new ATOM 158 N PHE A 13 0.730 6.257 -2.495 1.00 0.00 N ATOM 159 CA PHE A 13 0.953 7.681 -2.681 1.00 0.00 C ATOM 160 C PHE A 13 2.164 7.932 -3.583 1.00 0.00 C ATOM 161 O PHE A 13 3.213 7.315 -3.406 1.00 0.00 O ATOM 162 CB PHE A 13 1.230 8.275 -1.298 1.00 0.00 C ATOM 163 CG PHE A 13 -0.027 8.512 -0.459 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.155 7.793 -0.707 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.017 9.440 0.534 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.322 8.013 0.071 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.184 9.660 1.313 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.312 8.942 1.065 1.00 0.00 C ATOM 0 H PHE A 13 1.155 5.865 -1.655 1.00 0.00 H new ATOM 0 HA PHE A 13 0.082 8.136 -3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.897 7.606 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.757 9.221 -1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.163 7.055 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.879 10.010 0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.218 7.443 -0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.176 10.397 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.200 9.109 1.657 1.00 0.00 H new ATOM 178 N ILE A 14 1.977 8.840 -4.530 1.00 0.00 N ATOM 179 CA ILE A 14 3.041 9.181 -5.459 1.00 0.00 C ATOM 180 C ILE A 14 3.092 10.700 -5.634 1.00 0.00 C ATOM 181 O ILE A 14 2.055 11.359 -5.680 1.00 0.00 O ATOM 182 CB ILE A 14 2.869 8.416 -6.773 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.494 8.686 -7.389 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.124 6.920 -6.575 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.630 9.319 -8.776 1.00 0.00 C ATOM 0 H ILE A 14 1.105 9.350 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 14 4.008 8.873 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 14 3.616 8.779 -7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.935 7.753 -7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.923 9.348 -6.738 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.995 6.400 -7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.141 6.769 -6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.418 6.524 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.639 9.501 -9.192 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.168 10.264 -8.694 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.180 8.644 -9.432 1.00 0.00 H new ATOM 197 N ALA A 15 4.311 11.212 -5.727 1.00 0.00 N ATOM 198 CA ALA A 15 4.511 12.641 -5.896 1.00 0.00 C ATOM 199 C ALA A 15 5.240 12.897 -7.216 1.00 0.00 C ATOM 200 O ALA A 15 6.429 13.212 -7.222 1.00 0.00 O ATOM 201 CB ALA A 15 5.275 13.195 -4.691 1.00 0.00 C ATOM 0 H ALA A 15 5.170 10.663 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 15 3.554 13.160 -5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.425 14.267 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.702 13.014 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.243 12.699 -4.615 1.00 0.00 H new ATOM 207 N SER A 16 4.497 12.751 -8.303 1.00 0.00 N ATOM 208 CA SER A 16 5.057 12.963 -9.627 1.00 0.00 C ATOM 209 C SER A 16 6.030 14.144 -9.601 1.00 0.00 C ATOM 210 O SER A 16 7.121 14.066 -10.163 1.00 0.00 O ATOM 211 CB SER A 16 3.955 13.206 -10.660 1.00 0.00 C ATOM 212 OG SER A 16 4.481 13.640 -11.911 1.00 0.00 O ATOM 0 H SER A 16 3.511 12.488 -8.294 1.00 0.00 H new ATOM 0 HA SER A 16 5.597 12.062 -9.918 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.386 12.288 -10.805 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.260 13.955 -10.280 1.00 0.00 H new ATOM 0 HG SER A 16 3.746 13.783 -12.543 1.00 0.00 H new ATOM 218 N SER A 17 5.599 15.210 -8.943 1.00 0.00 N ATOM 219 CA SER A 17 6.418 16.405 -8.836 1.00 0.00 C ATOM 220 C SER A 17 7.444 16.238 -7.713 1.00 0.00 C ATOM 221 O SER A 17 7.404 16.960 -6.718 1.00 0.00 O ATOM 222 CB SER A 17 5.555 17.644 -8.586 1.00 0.00 C ATOM 223 OG SER A 17 6.102 18.808 -9.200 1.00 0.00 O ATOM 0 H SER A 17 4.693 15.271 -8.479 1.00 0.00 H new ATOM 0 HA SER A 17 6.943 16.545 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.550 17.470 -8.970 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.461 17.810 -7.513 1.00 0.00 H new ATOM 0 HG SER A 17 5.522 19.577 -9.019 1.00 0.00 H new ATOM 229 N SER A 18 8.339 15.281 -7.910 1.00 0.00 N ATOM 230 CA SER A 18 9.374 15.010 -6.927 1.00 0.00 C ATOM 231 C SER A 18 10.740 14.938 -7.611 1.00 0.00 C ATOM 232 O SER A 18 10.952 14.109 -8.496 1.00 0.00 O ATOM 233 CB SER A 18 9.089 13.710 -6.172 1.00 0.00 C ATOM 234 OG SER A 18 9.136 12.573 -7.029 1.00 0.00 O ATOM 0 H SER A 18 8.369 14.684 -8.736 1.00 0.00 H new ATOM 0 HA SER A 18 9.380 15.825 -6.203 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.817 13.590 -5.370 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.106 13.771 -5.704 1.00 0.00 H new ATOM 0 HG SER A 18 8.235 12.377 -7.362 1.00 0.00 H new ATOM 240 N GLY A 19 11.632 15.816 -7.176 1.00 0.00 N ATOM 241 CA GLY A 19 12.972 15.862 -7.736 1.00 0.00 C ATOM 242 C GLY A 19 13.566 14.457 -7.852 1.00 0.00 C ATOM 243 O GLY A 19 14.009 14.053 -8.926 1.00 0.00 O ATOM 0 H GLY A 19 11.453 16.501 -6.442 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.943 16.331 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.612 16.481 -7.107 1.00 0.00 H new ATOM 247 N PHE A 20 13.557 13.751 -6.731 1.00 0.00 N ATOM 248 CA PHE A 20 14.090 12.400 -6.693 1.00 0.00 C ATOM 249 C PHE A 20 13.335 11.486 -7.660 1.00 0.00 C ATOM 250 O PHE A 20 12.239 11.021 -7.354 1.00 0.00 O ATOM 251 CB PHE A 20 13.896 11.883 -5.266 1.00 0.00 C ATOM 252 CG PHE A 20 14.581 12.736 -4.196 1.00 0.00 C ATOM 253 CD1 PHE A 20 15.797 13.292 -4.446 1.00 0.00 C ATOM 254 CD2 PHE A 20 13.974 12.938 -2.996 1.00 0.00 C ATOM 255 CE1 PHE A 20 16.433 14.083 -3.453 1.00 0.00 C ATOM 256 CE2 PHE A 20 14.610 13.729 -2.003 1.00 0.00 C ATOM 257 CZ PHE A 20 15.826 14.286 -2.253 1.00 0.00 C ATOM 0 H PHE A 20 13.189 14.089 -5.842 1.00 0.00 H new ATOM 0 HA PHE A 20 15.140 12.406 -6.985 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.829 11.836 -5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.279 10.864 -5.204 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.279 13.132 -5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.008 12.497 -2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.399 14.524 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.129 13.888 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.309 14.889 -1.499 1.00 0.00 H new ATOM 267 N VAL A 21 13.953 11.256 -8.810 1.00 0.00 N ATOM 268 CA VAL A 21 13.354 10.406 -9.824 1.00 0.00 C ATOM 269 C VAL A 21 13.322 8.961 -9.320 1.00 0.00 C ATOM 270 O VAL A 21 12.402 8.209 -9.637 1.00 0.00 O ATOM 271 CB VAL A 21 14.107 10.560 -11.147 1.00 0.00 C ATOM 272 CG1 VAL A 21 15.303 9.608 -11.213 1.00 0.00 C ATOM 273 CG2 VAL A 21 13.171 10.347 -12.339 1.00 0.00 C ATOM 0 H VAL A 21 14.862 11.644 -9.061 1.00 0.00 H new ATOM 0 HA VAL A 21 12.324 10.707 -10.014 1.00 0.00 H new ATOM 0 HB VAL A 21 14.488 11.580 -11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.820 9.739 -12.164 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.988 9.827 -10.394 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.954 8.579 -11.128 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.731 10.462 -13.267 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.746 9.344 -12.294 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.368 11.083 -12.307 1.00 0.00 H new ATOM 283 N ALA A 22 14.339 8.617 -8.543 1.00 0.00 N ATOM 284 CA ALA A 22 14.439 7.277 -7.991 1.00 0.00 C ATOM 285 C ALA A 22 13.093 6.879 -7.381 1.00 0.00 C ATOM 286 O ALA A 22 12.622 5.761 -7.581 1.00 0.00 O ATOM 287 CB ALA A 22 15.579 7.227 -6.972 1.00 0.00 C ATOM 0 H ALA A 22 15.101 9.243 -8.283 1.00 0.00 H new ATOM 0 HA ALA A 22 14.672 6.556 -8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.653 6.221 -6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.517 7.488 -7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.380 7.936 -6.168 1.00 0.00 H new ATOM 293 N ILE A 23 12.512 7.818 -6.647 1.00 0.00 N ATOM 294 CA ILE A 23 11.230 7.580 -6.006 1.00 0.00 C ATOM 295 C ILE A 23 10.276 6.929 -7.010 1.00 0.00 C ATOM 296 O ILE A 23 9.749 5.846 -6.759 1.00 0.00 O ATOM 297 CB ILE A 23 10.689 8.873 -5.393 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.560 9.329 -4.220 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.222 8.717 -4.991 1.00 0.00 C ATOM 300 CD1 ILE A 23 10.911 10.501 -3.479 1.00 0.00 C ATOM 0 H ILE A 23 12.906 8.744 -6.482 1.00 0.00 H new ATOM 0 HA ILE A 23 11.343 6.884 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 23 10.733 9.655 -6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.713 8.498 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.543 9.625 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.862 9.650 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.628 8.472 -5.871 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.129 7.917 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.550 10.806 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.782 11.338 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.939 10.194 -3.094 1.00 0.00 H new ATOM 312 N LYS A 24 10.082 7.617 -8.125 1.00 0.00 N ATOM 313 CA LYS A 24 9.200 7.120 -9.168 1.00 0.00 C ATOM 314 C LYS A 24 9.464 5.629 -9.385 1.00 0.00 C ATOM 315 O LYS A 24 8.577 4.802 -9.182 1.00 0.00 O ATOM 316 CB LYS A 24 9.344 7.961 -10.438 1.00 0.00 C ATOM 317 CG LYS A 24 8.355 9.129 -10.438 1.00 0.00 C ATOM 318 CD LYS A 24 8.635 10.084 -9.276 1.00 0.00 C ATOM 319 CE LYS A 24 9.836 10.981 -9.581 1.00 0.00 C ATOM 320 NZ LYS A 24 9.410 12.393 -9.707 1.00 0.00 N ATOM 0 H LYS A 24 10.520 8.515 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 24 8.158 7.219 -8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.362 8.342 -10.512 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.173 7.335 -11.314 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.425 9.669 -11.382 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.337 8.748 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.756 10.700 -9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.825 9.512 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.577 10.888 -8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.315 10.656 -10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.008 12.875 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.417 12.430 -10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.505 12.868 -8.787 1.00 0.00 H new ATOM 334 N LYS A 25 10.689 5.331 -9.794 1.00 0.00 N ATOM 335 CA LYS A 25 11.081 3.953 -10.040 1.00 0.00 C ATOM 336 C LYS A 25 10.559 3.068 -8.907 1.00 0.00 C ATOM 337 O LYS A 25 9.940 2.035 -9.156 1.00 0.00 O ATOM 338 CB LYS A 25 12.594 3.856 -10.249 1.00 0.00 C ATOM 339 CG LYS A 25 13.002 4.468 -11.591 1.00 0.00 C ATOM 340 CD LYS A 25 13.961 3.546 -12.345 1.00 0.00 C ATOM 341 CE LYS A 25 15.271 4.265 -12.672 1.00 0.00 C ATOM 342 NZ LYS A 25 15.646 4.044 -14.086 1.00 0.00 N ATOM 0 H LYS A 25 11.423 6.020 -9.961 1.00 0.00 H new ATOM 0 HA LYS A 25 10.630 3.588 -10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.110 4.370 -9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.904 2.812 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.114 4.649 -12.197 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.477 5.435 -11.424 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.168 2.661 -11.743 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.491 3.202 -13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.164 5.333 -12.481 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.064 3.902 -12.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.537 4.539 -14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.768 3.026 -14.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.896 4.412 -14.706 1.00 0.00 H new ATOM 356 N LYS A 26 10.827 3.506 -7.685 1.00 0.00 N ATOM 357 CA LYS A 26 10.392 2.766 -6.513 1.00 0.00 C ATOM 358 C LYS A 26 8.879 2.553 -6.583 1.00 0.00 C ATOM 359 O LYS A 26 8.403 1.422 -6.492 1.00 0.00 O ATOM 360 CB LYS A 26 10.856 3.468 -5.234 1.00 0.00 C ATOM 361 CG LYS A 26 12.383 3.543 -5.174 1.00 0.00 C ATOM 362 CD LYS A 26 12.842 4.438 -4.020 1.00 0.00 C ATOM 363 CE LYS A 26 14.346 4.291 -3.778 1.00 0.00 C ATOM 364 NZ LYS A 26 14.679 4.624 -2.375 1.00 0.00 N ATOM 0 H LYS A 26 11.340 4.364 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 26 10.853 1.778 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.437 4.473 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.480 2.931 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.795 2.542 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.769 3.931 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.606 5.478 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.297 4.177 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.658 3.271 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.895 4.946 -4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.712 4.652 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.279 5.553 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.280 3.901 -1.743 1.00 0.00 H new ATOM 378 N GLN A 27 8.164 3.657 -6.743 1.00 0.00 N ATOM 379 CA GLN A 27 6.715 3.604 -6.826 1.00 0.00 C ATOM 380 C GLN A 27 6.280 2.581 -7.877 1.00 0.00 C ATOM 381 O GLN A 27 5.315 1.846 -7.671 1.00 0.00 O ATOM 382 CB GLN A 27 6.133 4.986 -7.132 1.00 0.00 C ATOM 383 CG GLN A 27 6.902 6.081 -6.392 1.00 0.00 C ATOM 384 CD GLN A 27 5.962 7.199 -5.935 1.00 0.00 C ATOM 385 OE1 GLN A 27 5.340 7.132 -4.888 1.00 0.00 O ATOM 386 NE2 GLN A 27 5.895 8.227 -6.777 1.00 0.00 N ATOM 0 H GLN A 27 8.562 4.593 -6.817 1.00 0.00 H new ATOM 0 HA GLN A 27 6.326 3.288 -5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.172 5.171 -8.205 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.083 5.015 -6.842 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.410 5.653 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.673 6.493 -7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.443 8.218 -7.637 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.296 9.024 -6.562 1.00 0.00 H new ATOM 395 N GLN A 28 7.012 2.566 -8.981 1.00 0.00 N ATOM 396 CA GLN A 28 6.714 1.645 -10.065 1.00 0.00 C ATOM 397 C GLN A 28 6.823 0.199 -9.577 1.00 0.00 C ATOM 398 O GLN A 28 5.827 -0.523 -9.537 1.00 0.00 O ATOM 399 CB GLN A 28 7.635 1.891 -11.262 1.00 0.00 C ATOM 400 CG GLN A 28 7.300 3.216 -11.948 1.00 0.00 C ATOM 401 CD GLN A 28 8.473 3.704 -12.801 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.346 2.947 -13.193 1.00 0.00 O ATOM 403 NE2 GLN A 28 8.445 5.007 -13.065 1.00 0.00 N ATOM 0 H GLN A 28 7.811 3.177 -9.148 1.00 0.00 H new ATOM 0 HA GLN A 28 5.690 1.821 -10.395 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.673 1.901 -10.930 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.536 1.073 -11.975 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.417 3.092 -12.575 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.055 3.967 -11.197 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.684 5.584 -12.706 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.184 5.430 -13.627 1.00 0.00 H new ATOM 412 N ASP A 29 8.040 -0.181 -9.219 1.00 0.00 N ATOM 413 CA ASP A 29 8.292 -1.528 -8.735 1.00 0.00 C ATOM 414 C ASP A 29 7.129 -1.971 -7.845 1.00 0.00 C ATOM 415 O ASP A 29 6.753 -3.142 -7.846 1.00 0.00 O ATOM 416 CB ASP A 29 9.574 -1.584 -7.902 1.00 0.00 C ATOM 417 CG ASP A 29 10.374 -2.882 -8.032 1.00 0.00 C ATOM 418 OD1 ASP A 29 9.758 -3.951 -7.831 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.583 -2.776 -8.330 1.00 0.00 O ATOM 0 H ASP A 29 8.863 0.420 -9.254 1.00 0.00 H new ATOM 0 HA ASP A 29 8.396 -2.183 -9.600 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.214 -0.750 -8.191 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.315 -1.438 -6.853 1.00 0.00 H new ATOM 424 N VAL A 30 6.593 -1.011 -7.105 1.00 0.00 N ATOM 425 CA VAL A 30 5.481 -1.288 -6.212 1.00 0.00 C ATOM 426 C VAL A 30 4.220 -1.546 -7.039 1.00 0.00 C ATOM 427 O VAL A 30 3.849 -2.696 -7.268 1.00 0.00 O ATOM 428 CB VAL A 30 5.316 -0.142 -5.212 1.00 0.00 C ATOM 429 CG1 VAL A 30 4.036 -0.310 -4.391 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.540 -0.027 -4.301 1.00 0.00 C ATOM 0 H VAL A 30 6.908 -0.041 -7.106 1.00 0.00 H new ATOM 0 HA VAL A 30 5.675 -2.187 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 30 5.232 0.786 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.943 0.518 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.174 -0.318 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.077 -1.250 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.396 0.795 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.670 -0.957 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.427 0.163 -4.906 1.00 0.00 H new ATOM 440 N VAL A 31 3.597 -0.457 -7.464 1.00 0.00 N ATOM 441 CA VAL A 31 2.385 -0.552 -8.260 1.00 0.00 C ATOM 442 C VAL A 31 2.539 -1.679 -9.284 1.00 0.00 C ATOM 443 O VAL A 31 1.661 -2.531 -9.411 1.00 0.00 O ATOM 444 CB VAL A 31 2.075 0.801 -8.904 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.285 1.943 -7.907 1.00 0.00 C ATOM 446 CG2 VAL A 31 2.914 1.014 -10.165 1.00 0.00 C ATOM 0 H VAL A 31 3.908 0.495 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 31 1.532 -0.800 -7.628 1.00 0.00 H new ATOM 0 HB VAL A 31 1.025 0.800 -9.197 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.058 2.894 -8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.625 1.804 -7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.322 1.946 -7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.674 1.983 -10.602 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.973 0.985 -9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.694 0.226 -10.886 1.00 0.00 H new ATOM 456 N ARG A 32 3.662 -1.647 -9.987 1.00 0.00 N ATOM 457 CA ARG A 32 3.942 -2.655 -10.995 1.00 0.00 C ATOM 458 C ARG A 32 3.615 -4.049 -10.457 1.00 0.00 C ATOM 459 O ARG A 32 2.822 -4.778 -11.052 1.00 0.00 O ATOM 460 CB ARG A 32 5.410 -2.613 -11.423 1.00 0.00 C ATOM 461 CG ARG A 32 5.714 -1.341 -12.217 1.00 0.00 C ATOM 462 CD ARG A 32 5.918 -1.656 -13.700 1.00 0.00 C ATOM 463 NE ARG A 32 6.394 -0.449 -14.413 1.00 0.00 N ATOM 464 CZ ARG A 32 5.594 0.543 -14.826 1.00 0.00 C ATOM 465 NH1 ARG A 32 4.275 0.479 -14.600 1.00 0.00 N ATOM 466 NH2 ARG A 32 6.113 1.600 -15.466 1.00 0.00 N ATOM 0 H ARG A 32 4.388 -0.939 -9.878 1.00 0.00 H new ATOM 0 HA ARG A 32 3.316 -2.440 -11.861 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.051 -2.658 -10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.641 -3.489 -12.030 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.895 -0.632 -12.102 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.608 -0.863 -11.817 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.641 -2.464 -13.813 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.982 -2.002 -14.139 1.00 0.00 H new ATOM 0 HE ARG A 32 7.393 -0.368 -14.601 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.879 -0.325 -14.113 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.666 1.235 -14.915 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.117 1.649 -15.639 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.504 2.355 -15.780 1.00 0.00 H new ATOM 480 N PHE A 33 4.242 -4.379 -9.337 1.00 0.00 N ATOM 481 CA PHE A 33 4.027 -5.673 -8.712 1.00 0.00 C ATOM 482 C PHE A 33 2.534 -5.957 -8.539 1.00 0.00 C ATOM 483 O PHE A 33 2.083 -7.081 -8.755 1.00 0.00 O ATOM 484 CB PHE A 33 4.687 -5.618 -7.333 1.00 0.00 C ATOM 485 CG PHE A 33 4.664 -6.949 -6.579 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.480 -7.473 -6.160 1.00 0.00 C ATOM 487 CD2 PHE A 33 5.826 -7.608 -6.327 1.00 0.00 C ATOM 488 CE1 PHE A 33 3.459 -8.709 -5.461 1.00 0.00 C ATOM 489 CE2 PHE A 33 5.804 -8.844 -5.627 1.00 0.00 C ATOM 490 CZ PHE A 33 4.621 -9.368 -5.209 1.00 0.00 C ATOM 0 H PHE A 33 4.899 -3.772 -8.846 1.00 0.00 H new ATOM 0 HA PHE A 33 4.449 -6.462 -9.334 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.722 -5.296 -7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.184 -4.862 -6.730 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.557 -6.949 -6.359 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.766 -7.192 -6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.519 -9.126 -5.129 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.727 -9.368 -5.427 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.605 -10.308 -4.677 1.00 0.00 H new ATOM 500 N LEU A 34 1.808 -4.919 -8.150 1.00 0.00 N ATOM 501 CA LEU A 34 0.374 -5.043 -7.945 1.00 0.00 C ATOM 502 C LEU A 34 -0.314 -5.241 -9.297 1.00 0.00 C ATOM 503 O LEU A 34 -1.206 -6.079 -9.427 1.00 0.00 O ATOM 504 CB LEU A 34 -0.159 -3.848 -7.153 1.00 0.00 C ATOM 505 CG LEU A 34 0.634 -3.465 -5.901 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.382 -2.006 -5.518 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.332 -4.422 -4.747 1.00 0.00 C ATOM 0 H LEU A 34 2.186 -3.988 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 34 0.150 -5.922 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.192 -2.984 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.186 -4.063 -6.857 1.00 0.00 H new ATOM 0 HG LEU A 34 1.696 -3.559 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.957 -1.760 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.688 -1.356 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.679 -1.861 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.908 -4.128 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.732 -4.384 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.604 -5.437 -5.036 1.00 0.00 H new ATOM 519 N GLU A 35 0.126 -4.457 -10.270 1.00 0.00 N ATOM 520 CA GLU A 35 -0.437 -4.535 -11.607 1.00 0.00 C ATOM 521 C GLU A 35 -0.222 -5.933 -12.192 1.00 0.00 C ATOM 522 O GLU A 35 -1.152 -6.536 -12.726 1.00 0.00 O ATOM 523 CB GLU A 35 0.161 -3.462 -12.518 1.00 0.00 C ATOM 524 CG GLU A 35 -0.406 -2.080 -12.183 1.00 0.00 C ATOM 525 CD GLU A 35 -1.837 -1.934 -12.704 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.708 -2.662 -12.182 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.027 -1.097 -13.613 1.00 0.00 O ATOM 0 H GLU A 35 0.866 -3.764 -10.159 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.509 -4.351 -11.540 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.245 -3.450 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.052 -3.704 -13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.391 -1.929 -11.104 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.225 -1.308 -12.622 1.00 0.00 H new ATOM 534 N ALA A 36 1.009 -6.407 -12.071 1.00 0.00 N ATOM 535 CA ALA A 36 1.358 -7.722 -12.581 1.00 0.00 C ATOM 536 C ALA A 36 0.610 -8.790 -11.781 1.00 0.00 C ATOM 537 O ALA A 36 0.352 -9.882 -12.285 1.00 0.00 O ATOM 538 CB ALA A 36 2.876 -7.906 -12.523 1.00 0.00 C ATOM 0 H ALA A 36 1.777 -5.904 -11.627 1.00 0.00 H new ATOM 0 HA ALA A 36 1.057 -7.821 -13.624 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.138 -8.893 -12.906 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.359 -7.141 -13.131 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.214 -7.816 -11.491 1.00 0.00 H new ATOM 544 N ASN A 37 0.282 -8.437 -10.546 1.00 0.00 N ATOM 545 CA ASN A 37 -0.431 -9.352 -9.671 1.00 0.00 C ATOM 546 C ASN A 37 -1.900 -8.931 -9.589 1.00 0.00 C ATOM 547 O ASN A 37 -2.641 -9.414 -8.734 1.00 0.00 O ATOM 548 CB ASN A 37 0.149 -9.324 -8.256 1.00 0.00 C ATOM 549 CG ASN A 37 1.414 -10.180 -8.165 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.368 -11.383 -7.968 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.543 -9.493 -8.319 1.00 0.00 N ATOM 0 H ASN A 37 0.497 -7.530 -10.131 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.333 -10.357 -10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.380 -8.297 -7.974 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.594 -9.690 -7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.442 -9.973 -8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.509 -8.487 -8.481 1.00 0.00 H new ATOM 558 N LYS A 38 -2.277 -8.035 -10.489 1.00 0.00 N ATOM 559 CA LYS A 38 -3.643 -7.543 -10.529 1.00 0.00 C ATOM 560 C LYS A 38 -4.151 -7.344 -9.100 1.00 0.00 C ATOM 561 O LYS A 38 -5.278 -7.717 -8.780 1.00 0.00 O ATOM 562 CB LYS A 38 -4.522 -8.472 -11.370 1.00 0.00 C ATOM 563 CG LYS A 38 -4.176 -8.358 -12.856 1.00 0.00 C ATOM 564 CD LYS A 38 -5.249 -7.571 -13.610 1.00 0.00 C ATOM 565 CE LYS A 38 -6.495 -8.428 -13.844 1.00 0.00 C ATOM 566 NZ LYS A 38 -7.411 -7.761 -14.796 1.00 0.00 N ATOM 0 H LYS A 38 -1.660 -7.637 -11.197 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.684 -6.571 -11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.388 -9.502 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.572 -8.222 -11.217 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.210 -7.866 -12.971 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.080 -9.354 -13.288 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.518 -6.680 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.852 -7.232 -14.567 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.205 -9.404 -14.233 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.007 -8.601 -12.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.251 -8.356 -14.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.702 -6.840 -14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.924 -7.618 -15.704 1.00 0.00 H new ATOM 580 N ILE A 39 -3.294 -6.755 -8.279 1.00 0.00 N ATOM 581 CA ILE A 39 -3.642 -6.501 -6.891 1.00 0.00 C ATOM 582 C ILE A 39 -4.369 -5.159 -6.789 1.00 0.00 C ATOM 583 O ILE A 39 -4.129 -4.256 -7.589 1.00 0.00 O ATOM 584 CB ILE A 39 -2.401 -6.596 -6.002 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.943 -8.049 -5.853 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.645 -5.931 -4.646 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.499 -8.120 -5.351 1.00 0.00 C ATOM 0 H ILE A 39 -2.360 -6.446 -8.548 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.328 -7.265 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.591 -6.051 -6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.600 -8.572 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.024 -8.560 -6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.747 -6.013 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.888 -4.879 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.474 -6.427 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.198 -9.163 -5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.158 -7.618 -6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.427 -7.630 -4.380 1.00 0.00 H new ATOM 599 N GLU A 40 -5.245 -5.070 -5.798 1.00 0.00 N ATOM 600 CA GLU A 40 -6.009 -3.853 -5.582 1.00 0.00 C ATOM 601 C GLU A 40 -5.102 -2.746 -5.040 1.00 0.00 C ATOM 602 O GLU A 40 -4.384 -2.950 -4.062 1.00 0.00 O ATOM 603 CB GLU A 40 -7.188 -4.106 -4.640 1.00 0.00 C ATOM 604 CG GLU A 40 -8.498 -4.223 -5.421 1.00 0.00 C ATOM 605 CD GLU A 40 -9.643 -4.667 -4.508 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.397 -5.583 -3.694 1.00 0.00 O ATOM 607 OE2 GLU A 40 -10.738 -4.079 -4.644 1.00 0.00 O ATOM 0 H GLU A 40 -5.442 -5.821 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.415 -3.527 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.015 -5.021 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.262 -3.293 -3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.742 -3.263 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.378 -4.939 -6.234 1.00 0.00 H new ATOM 614 N PHE A 41 -5.165 -1.598 -5.698 1.00 0.00 N ATOM 615 CA PHE A 41 -4.358 -0.459 -5.295 1.00 0.00 C ATOM 616 C PHE A 41 -4.643 0.756 -6.181 1.00 0.00 C ATOM 617 O PHE A 41 -5.369 0.652 -7.168 1.00 0.00 O ATOM 618 CB PHE A 41 -2.893 -0.866 -5.464 1.00 0.00 C ATOM 619 CG PHE A 41 -2.350 -0.665 -6.880 1.00 0.00 C ATOM 620 CD1 PHE A 41 -1.922 0.564 -7.276 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.297 -1.714 -7.743 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.419 0.751 -8.590 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.793 -1.528 -9.057 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.365 -0.299 -9.453 1.00 0.00 C ATOM 0 H PHE A 41 -5.763 -1.432 -6.508 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.588 -0.186 -4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.284 -0.290 -4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.784 -1.915 -5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.965 1.397 -6.591 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.638 -2.689 -7.429 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.079 1.727 -8.905 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.749 -2.362 -9.742 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.982 -0.157 -10.453 1.00 0.00 H new ATOM 634 N GLU A 42 -4.056 1.880 -5.795 1.00 0.00 N ATOM 635 CA GLU A 42 -4.238 3.113 -6.542 1.00 0.00 C ATOM 636 C GLU A 42 -3.045 4.045 -6.325 1.00 0.00 C ATOM 637 O GLU A 42 -2.362 3.959 -5.305 1.00 0.00 O ATOM 638 CB GLU A 42 -5.549 3.800 -6.156 1.00 0.00 C ATOM 639 CG GLU A 42 -5.544 4.199 -4.678 1.00 0.00 C ATOM 640 CD GLU A 42 -6.721 5.122 -4.356 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.554 6.345 -4.556 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.760 4.584 -3.916 1.00 0.00 O ATOM 0 H GLU A 42 -3.455 1.962 -4.975 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.294 2.868 -7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.696 4.685 -6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.386 3.131 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.597 3.305 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.607 4.701 -4.436 1.00 0.00 H new ATOM 649 N GLU A 43 -2.830 4.916 -7.300 1.00 0.00 N ATOM 650 CA GLU A 43 -1.731 5.864 -7.228 1.00 0.00 C ATOM 651 C GLU A 43 -2.239 7.232 -6.767 1.00 0.00 C ATOM 652 O GLU A 43 -2.588 8.078 -7.589 1.00 0.00 O ATOM 653 CB GLU A 43 -1.011 5.972 -8.574 1.00 0.00 C ATOM 654 CG GLU A 43 -0.057 4.795 -8.781 1.00 0.00 C ATOM 655 CD GLU A 43 0.085 4.458 -10.266 1.00 0.00 C ATOM 656 OE1 GLU A 43 0.561 5.346 -11.007 1.00 0.00 O ATOM 657 OE2 GLU A 43 -0.287 3.321 -10.629 1.00 0.00 O ATOM 0 H GLU A 43 -3.398 4.985 -8.144 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.010 5.500 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.743 5.998 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.454 6.908 -8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.921 5.037 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.427 3.924 -8.241 1.00 0.00 H new ATOM 664 N VAL A 44 -2.265 7.406 -5.454 1.00 0.00 N ATOM 665 CA VAL A 44 -2.725 8.656 -4.874 1.00 0.00 C ATOM 666 C VAL A 44 -1.680 9.746 -5.126 1.00 0.00 C ATOM 667 O VAL A 44 -0.717 9.873 -4.373 1.00 0.00 O ATOM 668 CB VAL A 44 -3.037 8.461 -3.389 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.382 9.793 -2.721 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.163 7.443 -3.195 1.00 0.00 C ATOM 0 H VAL A 44 -1.975 6.702 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.652 8.978 -5.348 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.142 8.067 -2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.599 9.625 -1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.537 10.476 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.255 10.228 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.365 7.323 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.063 7.796 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.863 6.484 -3.618 1.00 0.00 H new ATOM 680 N ASP A 45 -1.907 10.503 -6.189 1.00 0.00 N ATOM 681 CA ASP A 45 -0.998 11.577 -6.551 1.00 0.00 C ATOM 682 C ASP A 45 -1.000 12.635 -5.445 1.00 0.00 C ATOM 683 O ASP A 45 -1.739 13.615 -5.520 1.00 0.00 O ATOM 684 CB ASP A 45 -1.434 12.253 -7.852 1.00 0.00 C ATOM 685 CG ASP A 45 -0.404 13.207 -8.462 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.321 13.843 -7.666 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.366 13.279 -9.709 1.00 0.00 O ATOM 0 H ASP A 45 -2.708 10.394 -6.812 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.005 11.148 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.670 11.480 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.354 12.807 -7.665 1.00 0.00 H new ATOM 692 N ILE A 46 -0.163 12.401 -4.445 1.00 0.00 N ATOM 693 CA ILE A 46 -0.059 13.321 -3.325 1.00 0.00 C ATOM 694 C ILE A 46 0.353 14.701 -3.842 1.00 0.00 C ATOM 695 O ILE A 46 0.017 15.719 -3.239 1.00 0.00 O ATOM 696 CB ILE A 46 0.880 12.759 -2.256 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.302 12.606 -2.799 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.339 11.446 -1.687 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.285 12.269 -1.677 1.00 0.00 C ATOM 0 H ILE A 46 0.450 11.587 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.026 13.439 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 46 0.926 13.472 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.324 11.820 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.609 13.529 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.025 11.068 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.638 11.620 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.244 10.714 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.288 12.166 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.279 13.068 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.990 11.333 -1.204 1.00 0.00 H new ATOM 711 N THR A 47 1.075 14.690 -4.953 1.00 0.00 N ATOM 712 CA THR A 47 1.537 15.928 -5.557 1.00 0.00 C ATOM 713 C THR A 47 0.347 16.773 -6.018 1.00 0.00 C ATOM 714 O THR A 47 0.296 17.974 -5.758 1.00 0.00 O ATOM 715 CB THR A 47 2.502 15.571 -6.689 1.00 0.00 C ATOM 716 OG1 THR A 47 3.791 15.832 -6.141 1.00 0.00 O ATOM 717 CG2 THR A 47 2.399 16.534 -7.873 1.00 0.00 C ATOM 0 H THR A 47 1.351 13.843 -5.450 1.00 0.00 H new ATOM 0 HA THR A 47 2.073 16.544 -4.835 1.00 0.00 H new ATOM 0 HB THR A 47 2.301 14.555 -7.029 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.913 16.799 -6.038 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.105 16.235 -8.648 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.386 16.509 -8.276 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.632 17.546 -7.541 1.00 0.00 H new ATOM 725 N MET A 48 -0.581 16.111 -6.693 1.00 0.00 N ATOM 726 CA MET A 48 -1.767 16.786 -7.192 1.00 0.00 C ATOM 727 C MET A 48 -2.630 17.304 -6.039 1.00 0.00 C ATOM 728 O MET A 48 -3.001 18.476 -6.015 1.00 0.00 O ATOM 729 CB MET A 48 -2.586 15.816 -8.046 1.00 0.00 C ATOM 730 CG MET A 48 -1.944 15.619 -9.421 1.00 0.00 C ATOM 731 SD MET A 48 -2.436 16.937 -10.519 1.00 0.00 S ATOM 732 CE MET A 48 -1.047 16.942 -11.640 1.00 0.00 C ATOM 0 H MET A 48 -0.536 15.115 -6.906 1.00 0.00 H new ATOM 0 HA MET A 48 -1.450 17.637 -7.795 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.665 14.856 -7.537 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.600 16.198 -8.165 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.858 15.601 -9.325 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.244 14.657 -9.837 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.193 17.713 -12.396 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.132 17.147 -11.084 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.967 15.969 -12.125 1.00 0.00 H new ATOM 742 N SER A 49 -2.923 16.405 -5.111 1.00 0.00 N ATOM 743 CA SER A 49 -3.734 16.756 -3.958 1.00 0.00 C ATOM 744 C SER A 49 -2.843 16.943 -2.729 1.00 0.00 C ATOM 745 O SER A 49 -2.381 15.967 -2.139 1.00 0.00 O ATOM 746 CB SER A 49 -4.797 15.689 -3.687 1.00 0.00 C ATOM 747 OG SER A 49 -5.808 15.676 -4.690 1.00 0.00 O ATOM 0 H SER A 49 -2.613 15.434 -5.134 1.00 0.00 H new ATOM 0 HA SER A 49 -4.246 17.694 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.323 14.709 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.254 15.871 -2.714 1.00 0.00 H new ATOM 0 HG SER A 49 -6.466 14.981 -4.482 1.00 0.00 H new ATOM 753 N GLU A 50 -2.629 18.203 -2.378 1.00 0.00 N ATOM 754 CA GLU A 50 -1.801 18.530 -1.230 1.00 0.00 C ATOM 755 C GLU A 50 -2.268 17.748 0.000 1.00 0.00 C ATOM 756 O GLU A 50 -1.461 17.115 0.680 1.00 0.00 O ATOM 757 CB GLU A 50 -1.811 20.035 -0.958 1.00 0.00 C ATOM 758 CG GLU A 50 -0.562 20.460 -0.183 1.00 0.00 C ATOM 759 CD GLU A 50 -0.497 21.982 -0.040 1.00 0.00 C ATOM 760 OE1 GLU A 50 -0.859 22.661 -1.026 1.00 0.00 O ATOM 761 OE2 GLU A 50 -0.087 22.433 1.051 1.00 0.00 O ATOM 0 H GLU A 50 -3.015 19.009 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.774 18.241 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.860 20.578 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.703 20.300 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.568 19.998 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.329 20.101 -0.698 1.00 0.00 H new ATOM 768 N GLU A 51 -3.568 17.817 0.248 1.00 0.00 N ATOM 769 CA GLU A 51 -4.151 17.123 1.384 1.00 0.00 C ATOM 770 C GLU A 51 -3.581 15.708 1.491 1.00 0.00 C ATOM 771 O GLU A 51 -2.971 15.355 2.499 1.00 0.00 O ATOM 772 CB GLU A 51 -5.677 17.094 1.283 1.00 0.00 C ATOM 773 CG GLU A 51 -6.315 16.939 2.666 1.00 0.00 C ATOM 774 CD GLU A 51 -6.938 15.551 2.829 1.00 0.00 C ATOM 775 OE1 GLU A 51 -7.836 15.233 2.020 1.00 0.00 O ATOM 776 OE2 GLU A 51 -6.502 14.839 3.760 1.00 0.00 O ATOM 0 H GLU A 51 -4.234 18.343 -0.318 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.890 17.668 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.032 18.013 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.987 16.270 0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.562 17.096 3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.079 17.703 2.806 1.00 0.00 H new ATOM 783 N GLN A 52 -3.800 14.935 0.437 1.00 0.00 N ATOM 784 CA GLN A 52 -3.316 13.565 0.400 1.00 0.00 C ATOM 785 C GLN A 52 -1.915 13.481 1.010 1.00 0.00 C ATOM 786 O GLN A 52 -1.667 12.664 1.895 1.00 0.00 O ATOM 787 CB GLN A 52 -3.326 13.018 -1.029 1.00 0.00 C ATOM 788 CG GLN A 52 -4.752 12.947 -1.578 1.00 0.00 C ATOM 789 CD GLN A 52 -5.464 11.684 -1.091 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.082 11.062 -0.113 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.519 11.340 -1.825 1.00 0.00 N ATOM 0 H GLN A 52 -4.306 15.231 -0.398 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.988 12.946 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.717 13.655 -1.670 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.876 12.025 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.311 13.828 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.727 12.958 -2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.785 11.905 -2.632 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.062 10.512 -1.581 1.00 0.00 H new ATOM 800 N ARG A 53 -1.035 14.337 0.511 1.00 0.00 N ATOM 801 CA ARG A 53 0.335 14.369 0.995 1.00 0.00 C ATOM 802 C ARG A 53 0.363 14.717 2.485 1.00 0.00 C ATOM 803 O ARG A 53 0.912 13.967 3.291 1.00 0.00 O ATOM 804 CB ARG A 53 1.168 15.395 0.224 1.00 0.00 C ATOM 805 CG ARG A 53 2.664 15.107 0.369 1.00 0.00 C ATOM 806 CD ARG A 53 3.478 15.917 -0.641 1.00 0.00 C ATOM 807 NE ARG A 53 4.388 16.844 0.068 1.00 0.00 N ATOM 808 CZ ARG A 53 4.038 18.069 0.482 1.00 0.00 C ATOM 809 NH1 ARG A 53 2.797 18.523 0.260 1.00 0.00 N ATOM 810 NH2 ARG A 53 4.929 18.842 1.119 1.00 0.00 N ATOM 0 H ARG A 53 -1.244 15.013 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 53 0.764 13.379 0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.891 15.376 -0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.950 16.397 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.988 15.349 1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.849 14.043 0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.054 15.246 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.809 16.479 -1.293 1.00 0.00 H new ATOM 0 HE ARG A 53 5.341 16.531 0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.118 17.936 -0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.531 19.456 0.576 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.874 18.497 1.289 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.662 19.775 1.434 1.00 0.00 H new ATOM 824 N GLN A 54 -0.235 15.855 2.806 1.00 0.00 N ATOM 825 CA GLN A 54 -0.286 16.311 4.185 1.00 0.00 C ATOM 826 C GLN A 54 -0.688 15.160 5.110 1.00 0.00 C ATOM 827 O GLN A 54 -0.069 14.953 6.152 1.00 0.00 O ATOM 828 CB GLN A 54 -1.242 17.496 4.335 1.00 0.00 C ATOM 829 CG GLN A 54 -0.607 18.783 3.806 1.00 0.00 C ATOM 830 CD GLN A 54 0.740 19.048 4.480 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.819 19.495 5.613 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.792 18.749 3.724 1.00 0.00 N ATOM 0 H GLN A 54 -0.688 16.475 2.135 1.00 0.00 H new ATOM 0 HA GLN A 54 0.709 16.651 4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.166 17.293 3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.508 17.622 5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.469 18.708 2.727 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.278 19.623 3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.655 18.378 2.784 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.736 18.891 4.084 1.00 0.00 H new ATOM 841 N TRP A 55 -1.722 14.443 4.695 1.00 0.00 N ATOM 842 CA TRP A 55 -2.214 13.320 5.474 1.00 0.00 C ATOM 843 C TRP A 55 -1.027 12.405 5.786 1.00 0.00 C ATOM 844 O TRP A 55 -0.725 12.151 6.951 1.00 0.00 O ATOM 845 CB TRP A 55 -3.347 12.599 4.741 1.00 0.00 C ATOM 846 CG TRP A 55 -3.948 11.428 5.521 1.00 0.00 C ATOM 847 CD1 TRP A 55 -4.922 11.462 6.440 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.571 10.039 5.413 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.200 10.203 6.930 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.352 9.310 6.286 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.602 9.420 4.604 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.245 7.921 6.433 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.507 8.032 4.764 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.286 7.283 5.638 1.00 0.00 C ATOM 0 H TRP A 55 -2.232 14.618 3.829 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.647 13.663 6.414 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.136 13.317 4.518 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.972 12.231 3.786 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.427 12.363 6.758 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -5.899 9.970 7.635 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -1.980 9.971 3.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -4.869 7.372 7.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.777 7.507 4.166 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.152 6.213 5.703 1.00 0.00 H new ATOM 865 N MET A 56 -0.388 11.936 4.725 1.00 0.00 N ATOM 866 CA MET A 56 0.759 11.055 4.871 1.00 0.00 C ATOM 867 C MET A 56 1.711 11.570 5.952 1.00 0.00 C ATOM 868 O MET A 56 2.045 10.845 6.887 1.00 0.00 O ATOM 869 CB MET A 56 1.503 10.960 3.538 1.00 0.00 C ATOM 870 CG MET A 56 2.527 9.824 3.562 1.00 0.00 C ATOM 871 SD MET A 56 4.178 10.493 3.679 1.00 0.00 S ATOM 872 CE MET A 56 4.216 11.486 2.197 1.00 0.00 C ATOM 0 H MET A 56 -0.642 12.149 3.760 1.00 0.00 H new ATOM 0 HA MET A 56 0.401 10.069 5.168 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.790 10.795 2.730 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.007 11.904 3.330 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.332 9.165 4.408 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.434 9.220 2.660 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.248 11.746 1.960 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.784 10.922 1.370 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.639 12.397 2.355 1.00 0.00 H new ATOM 882 N TYR A 57 2.122 12.819 5.787 1.00 0.00 N ATOM 883 CA TYR A 57 3.030 13.440 6.737 1.00 0.00 C ATOM 884 C TYR A 57 2.497 13.316 8.165 1.00 0.00 C ATOM 885 O TYR A 57 3.251 13.456 9.127 1.00 0.00 O ATOM 886 CB TYR A 57 3.093 14.920 6.355 1.00 0.00 C ATOM 887 CG TYR A 57 4.057 15.226 5.206 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.189 14.335 4.161 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.793 16.393 5.216 1.00 0.00 C ATOM 890 CE1 TYR A 57 5.096 14.623 3.080 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.701 16.681 4.136 1.00 0.00 C ATOM 892 CZ TYR A 57 5.807 15.782 3.121 1.00 0.00 C ATOM 893 OH TYR A 57 6.664 16.054 2.100 1.00 0.00 O ATOM 0 H TYR A 57 1.843 13.418 5.010 1.00 0.00 H new ATOM 0 HA TYR A 57 4.007 12.959 6.705 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.094 15.256 6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.391 15.498 7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.612 13.422 4.154 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.688 17.091 6.034 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.209 13.935 2.256 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.284 17.590 4.132 1.00 0.00 H new ATOM 0 HH TYR A 57 7.103 16.915 2.262 1.00 0.00 H new ATOM 903 N LYS A 58 1.201 13.057 8.259 1.00 0.00 N ATOM 904 CA LYS A 58 0.559 12.913 9.554 1.00 0.00 C ATOM 905 C LYS A 58 0.443 11.427 9.899 1.00 0.00 C ATOM 906 O LYS A 58 0.305 11.066 11.067 1.00 0.00 O ATOM 907 CB LYS A 58 -0.779 13.654 9.574 1.00 0.00 C ATOM 908 CG LYS A 58 -0.605 15.111 9.140 1.00 0.00 C ATOM 909 CD LYS A 58 -1.254 16.064 10.146 1.00 0.00 C ATOM 910 CE LYS A 58 -1.464 17.450 9.532 1.00 0.00 C ATOM 911 NZ LYS A 58 -1.003 18.504 10.463 1.00 0.00 N ATOM 0 H LYS A 58 0.578 12.943 7.459 1.00 0.00 H new ATOM 0 HA LYS A 58 1.166 13.375 10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.485 13.155 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.204 13.618 10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.456 15.342 9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.050 15.257 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.212 15.658 10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.625 16.146 11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.919 17.524 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.519 17.596 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.153 19.438 10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.541 18.443 11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.009 18.373 10.662 1.00 0.00 H new ATOM 925 N ASN A 59 0.503 10.605 8.862 1.00 0.00 N ATOM 926 CA ASN A 59 0.407 9.166 9.041 1.00 0.00 C ATOM 927 C ASN A 59 1.756 8.524 8.710 1.00 0.00 C ATOM 928 O ASN A 59 1.811 7.506 8.021 1.00 0.00 O ATOM 929 CB ASN A 59 -0.644 8.564 8.106 1.00 0.00 C ATOM 930 CG ASN A 59 -2.034 9.130 8.407 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.998 8.408 8.601 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.082 10.459 8.435 1.00 0.00 N ATOM 0 H ASN A 59 0.617 10.908 7.895 1.00 0.00 H new ATOM 0 HA ASN A 59 0.123 8.973 10.076 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.378 8.775 7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.657 7.480 8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.964 10.934 8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.237 11.004 8.264 1.00 0.00 H new ATOM 939 N VAL A 60 2.811 9.145 9.218 1.00 0.00 N ATOM 940 CA VAL A 60 4.156 8.647 8.985 1.00 0.00 C ATOM 941 C VAL A 60 5.073 9.121 10.114 1.00 0.00 C ATOM 942 O VAL A 60 5.289 10.321 10.281 1.00 0.00 O ATOM 943 CB VAL A 60 4.641 9.078 7.599 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.126 8.760 7.416 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.801 8.429 6.498 1.00 0.00 C ATOM 0 H VAL A 60 2.761 9.988 9.790 1.00 0.00 H new ATOM 0 HA VAL A 60 4.167 7.557 8.994 1.00 0.00 H new ATOM 0 HB VAL A 60 4.517 10.158 7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.446 9.076 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.707 9.290 8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.284 7.687 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.167 8.752 5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.878 7.344 6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.759 8.728 6.612 1.00 0.00 H new ATOM 955 N PRO A 61 5.602 8.130 10.880 1.00 0.00 N ATOM 956 CA PRO A 61 6.491 8.434 11.988 1.00 0.00 C ATOM 957 C PRO A 61 7.879 8.832 11.484 1.00 0.00 C ATOM 958 O PRO A 61 8.170 8.713 10.295 1.00 0.00 O ATOM 959 CB PRO A 61 6.507 7.173 12.837 1.00 0.00 C ATOM 960 CG PRO A 61 6.000 6.058 11.937 1.00 0.00 C ATOM 961 CD PRO A 61 5.369 6.698 10.711 1.00 0.00 C ATOM 0 HA PRO A 61 6.155 9.289 12.574 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.513 6.957 13.197 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.871 7.285 13.715 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.819 5.401 11.645 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.271 5.443 12.465 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.824 6.328 9.792 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.304 6.474 10.651 1.00 0.00 H new ATOM 969 N PRO A 62 8.722 9.309 12.439 1.00 0.00 N ATOM 970 CA PRO A 62 10.073 9.726 12.104 1.00 0.00 C ATOM 971 C PRO A 62 10.977 8.515 11.862 1.00 0.00 C ATOM 972 O PRO A 62 11.928 8.591 11.086 1.00 0.00 O ATOM 973 CB PRO A 62 10.525 10.579 13.278 1.00 0.00 C ATOM 974 CG PRO A 62 9.595 10.229 14.429 1.00 0.00 C ATOM 975 CD PRO A 62 8.413 9.464 13.857 1.00 0.00 C ATOM 0 HA PRO A 62 10.119 10.294 11.175 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.563 10.369 13.537 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.465 11.640 13.036 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.117 9.626 15.172 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.256 11.133 14.934 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.295 8.496 14.344 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.481 10.010 14.002 1.00 0.00 H new ATOM 983 N GLU A 63 10.647 7.426 12.542 1.00 0.00 N ATOM 984 CA GLU A 63 11.417 6.201 12.411 1.00 0.00 C ATOM 985 C GLU A 63 11.247 5.615 11.008 1.00 0.00 C ATOM 986 O GLU A 63 12.172 5.009 10.468 1.00 0.00 O ATOM 987 CB GLU A 63 11.016 5.185 13.482 1.00 0.00 C ATOM 988 CG GLU A 63 9.852 4.314 13.003 1.00 0.00 C ATOM 989 CD GLU A 63 9.224 3.548 14.170 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.984 2.821 14.845 1.00 0.00 O ATOM 991 OE2 GLU A 63 7.999 3.707 14.359 1.00 0.00 O ATOM 0 H GLU A 63 9.857 7.367 13.185 1.00 0.00 H new ATOM 0 HA GLU A 63 12.470 6.439 12.559 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.870 4.554 13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.732 5.707 14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.098 4.939 12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.206 3.610 12.250 1.00 0.00 H new ATOM 998 N LYS A 64 10.059 5.816 10.457 1.00 0.00 N ATOM 999 CA LYS A 64 9.757 5.315 9.127 1.00 0.00 C ATOM 1000 C LYS A 64 10.287 6.299 8.083 1.00 0.00 C ATOM 1001 O LYS A 64 10.711 5.894 7.001 1.00 0.00 O ATOM 1002 CB LYS A 64 8.261 5.023 8.992 1.00 0.00 C ATOM 1003 CG LYS A 64 7.839 3.885 9.924 1.00 0.00 C ATOM 1004 CD LYS A 64 8.307 2.532 9.384 1.00 0.00 C ATOM 1005 CE LYS A 64 7.539 1.384 10.043 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.431 0.608 10.933 1.00 0.00 N ATOM 0 H LYS A 64 9.294 6.319 10.907 1.00 0.00 H new ATOM 0 HA LYS A 64 10.262 4.364 8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.689 5.921 9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.030 4.758 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.258 4.049 10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.754 3.882 10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.163 2.498 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.375 2.413 9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.700 1.781 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.122 0.731 9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.894 -0.167 11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.217 0.214 10.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.809 1.231 11.675 1.00 0.00 H new ATOM 1020 N LYS A 65 10.248 7.574 8.443 1.00 0.00 N ATOM 1021 CA LYS A 65 10.719 8.619 7.551 1.00 0.00 C ATOM 1022 C LYS A 65 11.977 8.136 6.826 1.00 0.00 C ATOM 1023 O LYS A 65 12.883 7.583 7.449 1.00 0.00 O ATOM 1024 CB LYS A 65 10.916 9.929 8.317 1.00 0.00 C ATOM 1025 CG LYS A 65 9.643 10.777 8.289 1.00 0.00 C ATOM 1026 CD LYS A 65 9.954 12.243 8.598 1.00 0.00 C ATOM 1027 CE LYS A 65 8.902 12.841 9.535 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.836 14.310 9.370 1.00 0.00 N ATOM 0 H LYS A 65 9.897 7.907 9.341 1.00 0.00 H new ATOM 0 HA LYS A 65 9.972 8.833 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.191 9.713 9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.741 10.490 7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.172 10.700 7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.929 10.392 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.940 12.321 9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.987 12.815 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.927 12.401 9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.146 12.596 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.925 14.768 10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.612 14.625 8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.925 14.571 8.941 1.00 0.00 H new ATOM 1042 N PRO A 66 11.993 8.368 5.486 1.00 0.00 N ATOM 1043 CA PRO A 66 13.125 7.963 4.670 1.00 0.00 C ATOM 1044 C PRO A 66 14.317 8.899 4.882 1.00 0.00 C ATOM 1045 O PRO A 66 15.420 8.446 5.182 1.00 0.00 O ATOM 1046 CB PRO A 66 12.605 7.977 3.242 1.00 0.00 C ATOM 1047 CG PRO A 66 11.348 8.832 3.264 1.00 0.00 C ATOM 1048 CD PRO A 66 10.938 9.020 4.716 1.00 0.00 C ATOM 0 HA PRO A 66 13.501 6.974 4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.347 8.392 2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.384 6.967 2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.534 9.797 2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.549 8.350 2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.857 10.077 4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.966 8.569 4.915 1.00 0.00 H new ATOM 1094 N ASN A 70 10.711 15.478 6.574 1.00 0.00 N ATOM 1095 CA ASN A 70 9.400 15.107 6.067 1.00 0.00 C ATOM 1096 C ASN A 70 9.508 13.782 5.310 1.00 0.00 C ATOM 1097 O ASN A 70 10.541 13.485 4.713 1.00 0.00 O ATOM 1098 CB ASN A 70 8.866 16.163 5.098 1.00 0.00 C ATOM 1099 CG ASN A 70 9.114 17.575 5.633 1.00 0.00 C ATOM 1100 OD1 ASN A 70 8.500 18.021 6.588 1.00 0.00 O ATOM 1101 ND2 ASN A 70 10.046 18.250 4.966 1.00 0.00 N ATOM 0 HA ASN A 70 8.722 15.020 6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.349 16.048 4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.798 16.012 4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.285 19.201 5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.522 17.816 4.175 1.00 0.00 H new ATOM 1108 N PRO A 71 8.396 12.999 5.362 1.00 0.00 N ATOM 1109 CA PRO A 71 8.355 11.712 4.688 1.00 0.00 C ATOM 1110 C PRO A 71 8.203 11.889 3.176 1.00 0.00 C ATOM 1111 O PRO A 71 7.588 12.851 2.719 1.00 0.00 O ATOM 1112 CB PRO A 71 7.186 10.974 5.320 1.00 0.00 C ATOM 1113 CG PRO A 71 6.334 12.040 5.989 1.00 0.00 C ATOM 1114 CD PRO A 71 7.154 13.318 6.059 1.00 0.00 C ATOM 0 HA PRO A 71 9.278 11.145 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.614 10.432 4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.534 10.240 6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.417 12.206 5.424 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.039 11.721 6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.634 14.149 5.582 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.343 13.611 7.092 1.00 0.00 H new ATOM 1122 N LEU A 72 8.775 10.946 2.442 1.00 0.00 N ATOM 1123 CA LEU A 72 8.711 10.985 0.991 1.00 0.00 C ATOM 1124 C LEU A 72 8.129 9.668 0.474 1.00 0.00 C ATOM 1125 O LEU A 72 8.174 8.652 1.166 1.00 0.00 O ATOM 1126 CB LEU A 72 10.082 11.325 0.403 1.00 0.00 C ATOM 1127 CG LEU A 72 10.660 12.687 0.792 1.00 0.00 C ATOM 1128 CD1 LEU A 72 12.129 12.797 0.381 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.817 13.826 0.213 1.00 0.00 C ATOM 0 H LEU A 72 9.285 10.150 2.825 1.00 0.00 H new ATOM 0 HA LEU A 72 8.042 11.780 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.788 10.553 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.010 11.280 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 72 10.621 12.776 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.515 13.775 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.706 12.018 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.215 12.677 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.249 14.783 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.801 13.751 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.799 13.756 0.596 1.00 0.00 H new ATOM 1141 N PRO A 73 7.583 9.729 -0.770 1.00 0.00 N ATOM 1142 CA PRO A 73 6.994 8.553 -1.387 1.00 0.00 C ATOM 1143 C PRO A 73 8.077 7.588 -1.873 1.00 0.00 C ATOM 1144 O PRO A 73 9.255 7.938 -1.909 1.00 0.00 O ATOM 1145 CB PRO A 73 6.130 9.092 -2.515 1.00 0.00 C ATOM 1146 CG PRO A 73 6.627 10.503 -2.784 1.00 0.00 C ATOM 1147 CD PRO A 73 7.512 10.915 -1.618 1.00 0.00 C ATOM 0 HA PRO A 73 6.396 7.967 -0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.219 8.470 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.077 9.096 -2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.186 10.539 -3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.787 11.190 -2.888 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.502 11.217 -1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.088 11.762 -1.079 1.00 0.00 H new ATOM 1155 N PRO A 74 7.627 6.359 -2.243 1.00 0.00 N ATOM 1156 CA PRO A 74 6.215 6.025 -2.168 1.00 0.00 C ATOM 1157 C PRO A 74 5.784 5.785 -0.720 1.00 0.00 C ATOM 1158 O PRO A 74 6.624 5.591 0.157 1.00 0.00 O ATOM 1159 CB PRO A 74 6.055 4.795 -3.047 1.00 0.00 C ATOM 1160 CG PRO A 74 7.449 4.212 -3.207 1.00 0.00 C ATOM 1161 CD PRO A 74 8.448 5.258 -2.740 1.00 0.00 C ATOM 0 HA PRO A 74 5.572 6.834 -2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.380 4.072 -2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.629 5.059 -4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.550 3.299 -2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.634 3.945 -4.247 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.097 4.864 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.093 5.582 -3.557 1.00 0.00 H new ATOM 1169 N GLN A 75 4.475 5.805 -0.515 1.00 0.00 N ATOM 1170 CA GLN A 75 3.922 5.592 0.812 1.00 0.00 C ATOM 1171 C GLN A 75 2.647 4.750 0.727 1.00 0.00 C ATOM 1172 O GLN A 75 1.544 5.268 0.892 1.00 0.00 O ATOM 1173 CB GLN A 75 3.653 6.924 1.515 1.00 0.00 C ATOM 1174 CG GLN A 75 4.959 7.672 1.791 1.00 0.00 C ATOM 1175 CD GLN A 75 5.465 7.388 3.207 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.711 7.064 4.109 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.780 7.528 3.350 1.00 0.00 N ATOM 0 H GLN A 75 3.781 5.965 -1.245 1.00 0.00 H new ATOM 0 HA GLN A 75 4.655 5.047 1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.000 7.540 0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.127 6.745 2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.714 7.373 1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.802 8.743 1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.353 7.802 2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.215 7.361 4.257 1.00 0.00 H new ATOM 1186 N ILE A 76 2.841 3.465 0.469 1.00 0.00 N ATOM 1187 CA ILE A 76 1.721 2.546 0.360 1.00 0.00 C ATOM 1188 C ILE A 76 0.820 2.700 1.587 1.00 0.00 C ATOM 1189 O ILE A 76 1.306 2.923 2.694 1.00 0.00 O ATOM 1190 CB ILE A 76 2.220 1.116 0.139 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.012 1.008 -1.166 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.062 0.117 0.191 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.487 0.709 -0.888 1.00 0.00 C ATOM 0 H ILE A 76 3.757 3.039 0.332 1.00 0.00 H new ATOM 0 HA ILE A 76 1.115 2.786 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 76 2.901 0.862 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.588 0.220 -1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.925 1.939 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.444 -0.891 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.578 0.171 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.338 0.358 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.028 0.637 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.914 1.511 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.572 -0.234 -0.349 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.477 2.574 1.348 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.451 2.696 2.419 1.00 0.00 C ATOM 1207 C PHE A 77 -2.662 1.797 2.165 1.00 0.00 C ATOM 1208 O PHE A 77 -3.435 2.038 1.239 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.910 4.155 2.443 1.00 0.00 C ATOM 1210 CG PHE A 77 -1.008 5.078 3.264 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.932 4.930 4.614 1.00 0.00 C ATOM 1212 CD2 PHE A 77 -0.282 6.047 2.645 1.00 0.00 C ATOM 1213 CE1 PHE A 77 -0.095 5.786 5.377 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.555 6.904 3.408 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.631 6.755 4.758 1.00 0.00 C ATOM 0 H PHE A 77 -0.876 2.389 0.428 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.002 2.395 3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.958 4.527 1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.922 4.200 2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.509 4.161 5.106 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.342 6.165 1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.035 5.668 6.449 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.131 7.674 2.916 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.268 7.406 5.338 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.790 0.779 3.003 1.00 0.00 N ATOM 1226 CA ASN A 78 -3.894 -0.158 2.880 1.00 0.00 C ATOM 1227 C ASN A 78 -5.138 0.438 3.542 1.00 0.00 C ATOM 1228 O ASN A 78 -5.462 0.100 4.680 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.575 -1.481 3.578 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.716 -2.484 3.401 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -5.846 -2.255 3.800 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.359 -3.606 2.781 1.00 0.00 N ATOM 0 H ASN A 78 -2.147 0.582 3.770 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.063 -0.342 1.819 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.654 -1.898 3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.403 -1.304 4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.049 -4.338 2.614 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.395 -3.734 2.472 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.802 1.313 2.802 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.004 1.959 3.303 1.00 0.00 C ATOM 1241 C GLY A 79 -6.726 2.686 4.620 1.00 0.00 C ATOM 1242 O GLY A 79 -7.299 2.345 5.654 1.00 0.00 O ATOM 0 H GLY A 79 -5.531 1.590 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.376 2.668 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.786 1.215 3.452 1.00 0.00 H new ATOM 1246 N ASP A 80 -5.848 3.675 4.539 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.488 4.454 5.712 1.00 0.00 C ATOM 1248 C ASP A 80 -4.355 3.748 6.459 1.00 0.00 C ATOM 1249 O ASP A 80 -3.403 4.390 6.901 1.00 0.00 O ATOM 1250 CB ASP A 80 -6.674 4.588 6.669 1.00 0.00 C ATOM 1251 CG ASP A 80 -6.628 5.810 7.588 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -5.813 5.779 8.535 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -7.410 6.749 7.323 1.00 0.00 O ATOM 0 H ASP A 80 -5.375 3.955 3.680 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.181 5.445 5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.592 4.627 6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.728 3.690 7.285 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.494 2.435 6.577 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.494 1.635 7.263 1.00 0.00 C ATOM 1260 C ARG A 81 -2.130 1.799 6.590 1.00 0.00 C ATOM 1261 O ARG A 81 -1.942 1.378 5.449 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.879 0.155 7.265 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.164 -0.596 8.390 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.143 -1.475 9.172 1.00 0.00 C ATOM 1265 NE ARG A 81 -4.103 -2.861 8.655 1.00 0.00 N ATOM 1266 CZ ARG A 81 -4.825 -3.871 9.158 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -5.648 -3.656 10.193 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -4.725 -5.097 8.625 1.00 0.00 N ATOM 0 H ARG A 81 -5.284 1.906 6.209 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.439 1.986 8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.958 0.056 7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.623 -0.292 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.369 -1.214 7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.691 0.117 9.065 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.886 -1.466 10.231 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.153 -1.075 9.085 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.487 -3.060 7.866 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.725 -2.723 10.598 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.198 -4.425 10.576 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.099 -5.261 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.275 -5.866 9.008 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.213 2.412 7.324 1.00 0.00 N ATOM 1283 CA TYR A 82 0.128 2.636 6.812 1.00 0.00 C ATOM 1284 C TYR A 82 0.851 1.310 6.567 1.00 0.00 C ATOM 1285 O TYR A 82 1.146 0.577 7.510 1.00 0.00 O ATOM 1286 CB TYR A 82 0.871 3.415 7.900 1.00 0.00 C ATOM 1287 CG TYR A 82 2.280 3.854 7.499 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.591 4.047 6.168 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.241 4.058 8.468 1.00 0.00 C ATOM 1290 CE1 TYR A 82 3.918 4.460 5.791 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.568 4.472 8.091 1.00 0.00 C ATOM 1292 CZ TYR A 82 4.840 4.653 6.771 1.00 0.00 C ATOM 1293 OH TYR A 82 6.093 5.044 6.415 1.00 0.00 O ATOM 0 H TYR A 82 -1.372 2.760 8.269 1.00 0.00 H new ATOM 0 HA TYR A 82 0.091 3.173 5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.288 4.297 8.163 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.935 2.797 8.795 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.839 3.888 5.409 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.998 3.907 9.509 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.175 4.613 4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.329 4.635 8.839 1.00 0.00 H new ATOM 0 HH TYR A 82 6.037 5.699 5.689 1.00 0.00 H new ATOM 1303 N CYS A 83 1.116 1.043 5.297 1.00 0.00 N ATOM 1304 CA CYS A 83 1.798 -0.182 4.916 1.00 0.00 C ATOM 1305 C CYS A 83 3.291 -0.009 5.203 1.00 0.00 C ATOM 1306 O CYS A 83 3.825 -0.623 6.126 1.00 0.00 O ATOM 1307 CB CYS A 83 1.537 -0.544 3.453 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.222 -0.995 3.224 1.00 0.00 S ATOM 0 H CYS A 83 0.871 1.654 4.518 1.00 0.00 H new ATOM 0 HA CYS A 83 1.410 -1.015 5.502 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.792 0.299 2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.176 -1.376 3.156 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.402 -1.440 2.016 1.00 0.00 H new ATOM 1314 N GLY A 84 3.923 0.830 4.396 1.00 0.00 N ATOM 1315 CA GLY A 84 5.344 1.091 4.551 1.00 0.00 C ATOM 1316 C GLY A 84 5.933 1.697 3.276 1.00 0.00 C ATOM 1317 O GLY A 84 5.402 1.494 2.185 1.00 0.00 O ATOM 0 H GLY A 84 3.477 1.338 3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.503 1.771 5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.864 0.163 4.791 1.00 0.00 H new ATOM 1321 N ASP A 85 7.022 2.430 3.456 1.00 0.00 N ATOM 1322 CA ASP A 85 7.688 3.068 2.333 1.00 0.00 C ATOM 1323 C ASP A 85 8.261 1.992 1.408 1.00 0.00 C ATOM 1324 O ASP A 85 8.168 0.801 1.702 1.00 0.00 O ATOM 1325 CB ASP A 85 8.846 3.948 2.807 1.00 0.00 C ATOM 1326 CG ASP A 85 10.010 3.194 3.454 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.800 2.008 3.790 1.00 0.00 O ATOM 1328 OD2 ASP A 85 11.082 3.820 3.597 1.00 0.00 O ATOM 0 H ASP A 85 7.460 2.596 4.362 1.00 0.00 H new ATOM 0 HA ASP A 85 6.955 3.685 1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.227 4.511 1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.461 4.674 3.523 1.00 0.00 H new ATOM 1333 N TYR A 86 8.841 2.450 0.308 1.00 0.00 N ATOM 1334 CA TYR A 86 9.428 1.542 -0.662 1.00 0.00 C ATOM 1335 C TYR A 86 10.299 0.490 0.029 1.00 0.00 C ATOM 1336 O TYR A 86 10.224 -0.694 -0.296 1.00 0.00 O ATOM 1337 CB TYR A 86 10.311 2.404 -1.566 1.00 0.00 C ATOM 1338 CG TYR A 86 11.400 1.621 -2.303 1.00 0.00 C ATOM 1339 CD1 TYR A 86 11.076 0.869 -3.415 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.705 1.666 -1.856 1.00 0.00 C ATOM 1341 CE1 TYR A 86 12.101 0.132 -4.108 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.729 0.929 -2.550 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.377 0.199 -3.642 1.00 0.00 C ATOM 1344 OH TYR A 86 14.344 -0.497 -4.297 1.00 0.00 O ATOM 0 H TYR A 86 8.917 3.438 0.067 1.00 0.00 H new ATOM 0 HA TYR A 86 8.650 1.016 -1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.681 2.907 -2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.781 3.181 -0.963 1.00 0.00 H new ATOM 0 HD1 TYR A 86 10.055 0.834 -3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.958 2.254 -0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.862 -0.461 -4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.754 0.955 -2.211 1.00 0.00 H new ATOM 0 HH TYR A 86 14.257 -1.451 -4.091 1.00 0.00 H new ATOM 1354 N ASP A 87 11.106 0.961 0.969 1.00 0.00 N ATOM 1355 CA ASP A 87 11.990 0.076 1.708 1.00 0.00 C ATOM 1356 C ASP A 87 11.196 -1.134 2.203 1.00 0.00 C ATOM 1357 O ASP A 87 11.559 -2.275 1.924 1.00 0.00 O ATOM 1358 CB ASP A 87 12.583 0.784 2.928 1.00 0.00 C ATOM 1359 CG ASP A 87 13.956 1.421 2.702 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.415 1.382 1.540 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.514 1.933 3.696 1.00 0.00 O ATOM 0 H ASP A 87 11.166 1.944 1.235 1.00 0.00 H new ATOM 0 HA ASP A 87 12.796 -0.230 1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.889 1.559 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.662 0.065 3.743 1.00 0.00 H new ATOM 1366 N SER A 88 10.127 -0.843 2.930 1.00 0.00 N ATOM 1367 CA SER A 88 9.279 -1.893 3.467 1.00 0.00 C ATOM 1368 C SER A 88 8.901 -2.879 2.359 1.00 0.00 C ATOM 1369 O SER A 88 9.238 -4.059 2.432 1.00 0.00 O ATOM 1370 CB SER A 88 8.019 -1.309 4.110 1.00 0.00 C ATOM 1371 OG SER A 88 8.249 -0.894 5.453 1.00 0.00 O ATOM 0 H SER A 88 9.829 0.105 3.160 1.00 0.00 H new ATOM 0 HA SER A 88 9.837 -2.421 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.673 -0.459 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.224 -2.054 4.092 1.00 0.00 H new ATOM 0 HG SER A 88 7.421 -0.982 5.969 1.00 0.00 H new ATOM 1377 N PHE A 89 8.207 -2.357 1.358 1.00 0.00 N ATOM 1378 CA PHE A 89 7.780 -3.175 0.236 1.00 0.00 C ATOM 1379 C PHE A 89 8.915 -4.082 -0.244 1.00 0.00 C ATOM 1380 O PHE A 89 8.756 -5.301 -0.307 1.00 0.00 O ATOM 1381 CB PHE A 89 7.394 -2.219 -0.894 1.00 0.00 C ATOM 1382 CG PHE A 89 6.925 -2.921 -2.170 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.633 -3.333 -2.284 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.799 -3.134 -3.190 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.198 -3.985 -3.468 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.363 -3.785 -4.374 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.072 -4.197 -4.488 1.00 0.00 C ATOM 0 H PHE A 89 7.930 -1.377 1.301 1.00 0.00 H new ATOM 0 HA PHE A 89 6.945 -3.809 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.601 -1.559 -0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.251 -1.589 -1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.939 -3.164 -1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.825 -2.808 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.173 -4.313 -3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.057 -3.953 -5.184 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.741 -4.693 -5.389 1.00 0.00 H new ATOM 1397 N PHE A 90 10.034 -3.453 -0.570 1.00 0.00 N ATOM 1398 CA PHE A 90 11.195 -4.188 -1.043 1.00 0.00 C ATOM 1399 C PHE A 90 11.621 -5.252 -0.029 1.00 0.00 C ATOM 1400 O PHE A 90 11.890 -6.394 -0.398 1.00 0.00 O ATOM 1401 CB PHE A 90 12.329 -3.175 -1.208 1.00 0.00 C ATOM 1402 CG PHE A 90 13.548 -3.721 -1.954 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.540 -4.349 -1.268 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.639 -3.579 -3.303 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.672 -4.856 -1.960 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.771 -4.086 -3.996 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.763 -4.714 -3.310 1.00 0.00 C ATOM 0 H PHE A 90 10.162 -2.442 -0.516 1.00 0.00 H new ATOM 0 HA PHE A 90 10.960 -4.692 -1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.949 -2.304 -1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.643 -2.833 -0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.467 -4.462 -0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.851 -3.081 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.460 -5.354 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.844 -3.973 -5.068 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.623 -5.100 -3.837 1.00 0.00 H new ATOM 1417 N GLU A 91 11.668 -4.839 1.229 1.00 0.00 N ATOM 1418 CA GLU A 91 12.057 -5.742 2.299 1.00 0.00 C ATOM 1419 C GLU A 91 11.062 -6.900 2.403 1.00 0.00 C ATOM 1420 O GLU A 91 11.334 -7.898 3.068 1.00 0.00 O ATOM 1421 CB GLU A 91 12.172 -4.997 3.631 1.00 0.00 C ATOM 1422 CG GLU A 91 13.615 -5.002 4.139 1.00 0.00 C ATOM 1423 CD GLU A 91 13.699 -4.434 5.557 1.00 0.00 C ATOM 1424 OE1 GLU A 91 13.268 -5.154 6.483 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.193 -3.292 5.682 1.00 0.00 O ATOM 0 H GLU A 91 11.443 -3.891 1.531 1.00 0.00 H new ATOM 0 HA GLU A 91 13.039 -6.152 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.830 -3.970 3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.521 -5.464 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.005 -6.020 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.242 -4.413 3.470 1.00 0.00 H new ATOM 1432 N SER A 92 9.930 -6.728 1.736 1.00 0.00 N ATOM 1433 CA SER A 92 8.894 -7.747 1.746 1.00 0.00 C ATOM 1434 C SER A 92 8.968 -8.580 0.465 1.00 0.00 C ATOM 1435 O SER A 92 8.537 -9.732 0.443 1.00 0.00 O ATOM 1436 CB SER A 92 7.506 -7.119 1.892 1.00 0.00 C ATOM 1437 OG SER A 92 7.306 -6.563 3.188 1.00 0.00 O ATOM 0 H SER A 92 9.708 -5.899 1.185 1.00 0.00 H new ATOM 0 HA SER A 92 9.061 -8.397 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.379 -6.340 1.140 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.744 -7.875 1.700 1.00 0.00 H new ATOM 0 HG SER A 92 7.824 -5.735 3.272 1.00 0.00 H new ATOM 1443 N LYS A 93 9.517 -7.965 -0.573 1.00 0.00 N ATOM 1444 CA LYS A 93 9.653 -8.635 -1.854 1.00 0.00 C ATOM 1445 C LYS A 93 10.644 -9.793 -1.717 1.00 0.00 C ATOM 1446 O LYS A 93 10.421 -10.874 -2.260 1.00 0.00 O ATOM 1447 CB LYS A 93 10.026 -7.632 -2.947 1.00 0.00 C ATOM 1448 CG LYS A 93 8.788 -6.893 -3.460 1.00 0.00 C ATOM 1449 CD LYS A 93 9.019 -6.348 -4.870 1.00 0.00 C ATOM 1450 CE LYS A 93 10.089 -5.254 -4.867 1.00 0.00 C ATOM 1451 NZ LYS A 93 11.436 -5.846 -5.024 1.00 0.00 N ATOM 0 H LYS A 93 9.873 -7.009 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 93 8.700 -9.066 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.746 -6.914 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.511 -8.152 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.932 -7.568 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.544 -6.073 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.325 -7.159 -5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.086 -5.948 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.899 -4.549 -5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.039 -4.691 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.922 -5.395 -5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.986 -5.694 -4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.348 -6.867 -5.203 1.00 0.00 H new ATOM 1465 N GLU A 94 11.719 -9.526 -0.989 1.00 0.00 N ATOM 1466 CA GLU A 94 12.745 -10.532 -0.774 1.00 0.00 C ATOM 1467 C GLU A 94 12.122 -11.818 -0.228 1.00 0.00 C ATOM 1468 O GLU A 94 12.518 -12.917 -0.615 1.00 0.00 O ATOM 1469 CB GLU A 94 13.836 -10.010 0.164 1.00 0.00 C ATOM 1470 CG GLU A 94 14.567 -8.818 -0.456 1.00 0.00 C ATOM 1471 CD GLU A 94 15.956 -8.645 0.164 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.006 -8.436 1.395 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.936 -8.726 -0.609 1.00 0.00 O ATOM 0 H GLU A 94 11.901 -8.628 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 94 13.212 -10.757 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.392 -9.715 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.548 -10.807 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.661 -8.964 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.982 -7.910 -0.307 1.00 0.00 H new ATOM 1480 N SER A 95 11.157 -11.639 0.662 1.00 0.00 N ATOM 1481 CA SER A 95 10.475 -12.772 1.264 1.00 0.00 C ATOM 1482 C SER A 95 9.157 -13.038 0.535 1.00 0.00 C ATOM 1483 O SER A 95 8.523 -14.070 0.747 1.00 0.00 O ATOM 1484 CB SER A 95 10.218 -12.532 2.753 1.00 0.00 C ATOM 1485 OG SER A 95 10.843 -13.519 3.569 1.00 0.00 O ATOM 0 H SER A 95 10.831 -10.726 0.981 1.00 0.00 H new ATOM 0 HA SER A 95 11.118 -13.647 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.588 -11.545 3.030 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.144 -12.534 2.940 1.00 0.00 H new ATOM 0 HG SER A 95 10.657 -13.329 4.512 1.00 0.00 H new ATOM 1491 N ASN A 96 8.783 -12.088 -0.311 1.00 0.00 N ATOM 1492 CA ASN A 96 7.552 -12.207 -1.073 1.00 0.00 C ATOM 1493 C ASN A 96 6.357 -12.054 -0.130 1.00 0.00 C ATOM 1494 O ASN A 96 5.388 -12.806 -0.224 1.00 0.00 O ATOM 1495 CB ASN A 96 7.451 -13.578 -1.746 1.00 0.00 C ATOM 1496 CG ASN A 96 7.033 -13.439 -3.211 1.00 0.00 C ATOM 1497 OD1 ASN A 96 7.845 -13.247 -4.100 1.00 0.00 O ATOM 1498 ND2 ASN A 96 5.722 -13.548 -3.412 1.00 0.00 N ATOM 0 H ASN A 96 9.311 -11.233 -0.485 1.00 0.00 H new ATOM 0 HA ASN A 96 7.552 -11.429 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.412 -14.089 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.727 -14.196 -1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.343 -13.471 -4.356 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.097 -13.709 -2.622 1.00 0.00 H new ATOM 1505 N THR A 97 6.465 -11.076 0.757 1.00 0.00 N ATOM 1506 CA THR A 97 5.405 -10.815 1.715 1.00 0.00 C ATOM 1507 C THR A 97 4.628 -9.556 1.323 1.00 0.00 C ATOM 1508 O THR A 97 3.735 -9.122 2.048 1.00 0.00 O ATOM 1509 CB THR A 97 6.036 -10.730 3.107 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.308 -10.131 2.875 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.372 -12.108 3.682 1.00 0.00 C ATOM 0 H THR A 97 7.271 -10.455 0.832 1.00 0.00 H new ATOM 0 HA THR A 97 4.672 -11.622 1.722 1.00 0.00 H new ATOM 0 HB THR A 97 5.357 -10.210 3.783 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.785 -10.037 3.726 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.817 -11.991 4.670 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.461 -12.701 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.078 -12.615 3.024 1.00 0.00 H new ATOM 1519 N VAL A 98 4.998 -9.006 0.176 1.00 0.00 N ATOM 1520 CA VAL A 98 4.347 -7.806 -0.322 1.00 0.00 C ATOM 1521 C VAL A 98 2.853 -7.869 0.001 1.00 0.00 C ATOM 1522 O VAL A 98 2.272 -6.889 0.464 1.00 0.00 O ATOM 1523 CB VAL A 98 4.629 -7.640 -1.817 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.420 -7.040 -2.539 1.00 0.00 C ATOM 1525 CG2 VAL A 98 5.882 -6.792 -2.048 1.00 0.00 C ATOM 0 H VAL A 98 5.740 -9.369 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 98 4.749 -6.921 0.172 1.00 0.00 H new ATOM 0 HB VAL A 98 4.813 -8.630 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.646 -6.932 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.560 -7.698 -2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.192 -6.062 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.060 -6.690 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.740 -5.805 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.740 -7.277 -1.582 1.00 0.00 H new ATOM 1535 N PHE A 99 2.274 -9.033 -0.255 1.00 0.00 N ATOM 1536 CA PHE A 99 0.859 -9.237 0.004 1.00 0.00 C ATOM 1537 C PHE A 99 0.526 -8.973 1.473 1.00 0.00 C ATOM 1538 O PHE A 99 -0.370 -8.187 1.779 1.00 0.00 O ATOM 1539 CB PHE A 99 0.551 -10.700 -0.322 1.00 0.00 C ATOM 1540 CG PHE A 99 0.343 -10.976 -1.812 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.416 -11.193 -2.620 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -0.914 -11.003 -2.330 1.00 0.00 C ATOM 1543 CE1 PHE A 99 1.223 -11.449 -4.003 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -1.107 -11.259 -3.714 1.00 0.00 C ATOM 1545 CZ PHE A 99 -0.034 -11.476 -4.521 1.00 0.00 C ATOM 0 H PHE A 99 2.759 -9.844 -0.639 1.00 0.00 H new ATOM 0 HA PHE A 99 0.267 -8.552 -0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.369 -11.322 0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.345 -11.002 0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.415 -11.170 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.766 -10.830 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.075 -11.622 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.105 -11.281 -4.125 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.180 -11.670 -5.573 1.00 0.00 H new ATOM 1555 N SER A 100 1.264 -9.645 2.344 1.00 0.00 N ATOM 1556 CA SER A 100 1.059 -9.493 3.774 1.00 0.00 C ATOM 1557 C SER A 100 1.469 -8.086 4.215 1.00 0.00 C ATOM 1558 O SER A 100 0.814 -7.482 5.063 1.00 0.00 O ATOM 1559 CB SER A 100 1.845 -10.545 4.559 1.00 0.00 C ATOM 1560 OG SER A 100 1.392 -10.656 5.906 1.00 0.00 O ATOM 0 H SER A 100 2.005 -10.297 2.087 1.00 0.00 H new ATOM 0 HA SER A 100 -0.001 -9.639 3.984 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.751 -11.512 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.904 -10.286 4.553 1.00 0.00 H new ATOM 0 HG SER A 100 1.918 -11.339 6.373 1.00 0.00 H new ATOM 1566 N PHE A 101 2.551 -7.606 3.620 1.00 0.00 N ATOM 1567 CA PHE A 101 3.056 -6.281 3.941 1.00 0.00 C ATOM 1568 C PHE A 101 1.963 -5.223 3.776 1.00 0.00 C ATOM 1569 O PHE A 101 1.945 -4.227 4.497 1.00 0.00 O ATOM 1570 CB PHE A 101 4.189 -5.985 2.957 1.00 0.00 C ATOM 1571 CG PHE A 101 4.457 -4.493 2.747 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.572 -3.665 3.820 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.579 -3.995 1.487 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.820 -2.281 3.625 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.827 -2.610 1.293 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.943 -1.782 2.366 1.00 0.00 C ATOM 0 H PHE A 101 3.092 -8.110 2.918 1.00 0.00 H new ATOM 0 HA PHE A 101 3.398 -6.253 4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.102 -6.461 3.316 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.950 -6.440 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.475 -4.061 4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.487 -4.652 0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.911 -1.624 4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.924 -2.214 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.133 -0.729 2.218 1.00 0.00 H new ATOM 1586 N LEU A 102 1.078 -5.476 2.822 1.00 0.00 N ATOM 1587 CA LEU A 102 -0.015 -4.557 2.554 1.00 0.00 C ATOM 1588 C LEU A 102 -1.237 -4.971 3.375 1.00 0.00 C ATOM 1589 O LEU A 102 -2.079 -4.138 3.706 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.285 -4.470 1.050 1.00 0.00 C ATOM 1591 CG LEU A 102 0.941 -4.262 0.160 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.744 -4.919 -1.208 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.284 -2.776 0.037 1.00 0.00 C ATOM 0 H LEU A 102 1.096 -6.303 2.226 1.00 0.00 H new ATOM 0 HA LEU A 102 0.251 -3.547 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.785 -5.387 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.981 -3.650 0.873 1.00 0.00 H new ATOM 0 HG LEU A 102 1.792 -4.751 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.630 -4.756 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.585 -5.989 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.124 -4.480 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.160 -2.656 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.440 -2.243 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.497 -2.369 1.025 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.296 -6.259 3.681 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.401 -6.795 4.458 1.00 0.00 C ATOM 1607 C GLY A 103 -3.331 -7.635 3.580 1.00 0.00 C ATOM 1608 O GLY A 103 -4.535 -7.693 3.824 1.00 0.00 O ATOM 0 H GLY A 103 -0.596 -6.947 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.014 -7.406 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.962 -5.978 4.911 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.737 -8.265 2.578 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.497 -9.100 1.663 1.00 0.00 C ATOM 1614 C LEU A 104 -3.389 -10.561 2.103 1.00 0.00 C ATOM 1615 O LEU A 104 -2.883 -11.401 1.361 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.051 -8.858 0.220 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.964 -7.394 -0.219 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.203 -7.262 -1.540 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.355 -6.761 -0.293 1.00 0.00 C ATOM 0 H LEU A 104 -1.738 -8.214 2.379 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.554 -8.835 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.072 -9.317 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.743 -9.375 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.399 -6.844 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.156 -6.212 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.192 -7.651 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.719 -7.829 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.265 -5.721 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.965 -7.306 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.827 -6.804 0.689 1.00 0.00 H new