USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 711 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 41 LYS NZ :NH3+ 142:sc= -0.732 (180deg=-2.24!) USER MOD Set 1.2: A 42 ASN : amide:sc= -3.49! C(o=-4.2!,f=-6.8!) USER MOD Set 2.1: A 17 GLN : amide:sc= -1.24 X(o=-0.61,f=-0.58!) USER MOD Set 2.2: A 26 CYS SG : rot 19:sc= 0.627 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0423 USER MOD Single : A 20 ASN : amide:sc= -2.24 K(o=-2.2,f=-5.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -19:sc= 0.416 USER MOD Single : A 32 SER OG : rot -91:sc= 0.959 USER MOD Single : A 34 ASN : amide:sc= -8.85! C(o=-8.8!,f=-5.3!) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.0368 (180deg=-0.301) USER MOD Single : A 40 THR OG1 : rot -2:sc= 0.747 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 151:sc= 0.646 (180deg=0.241) USER MOD Single : A 56 GLN : amide:sc= -0.0106 K(o=-0.011,f=-1.3!) USER MOD Single : A 57 LYS NZ :NH3+ -116:sc= -0.231 (180deg=-1.6!) USER MOD Single : A 61 HIS : no HD1:sc= 0.16 K(o=0.16,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 76 TYR OH : rot -130:sc= -0.364 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0754 X(o=-0.075,f=-0.037) USER MOD Single : A 86 THR OG1 : rot 33:sc= 0.593 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.512 K(o=-0.51,f=-0.0077) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.541 -2.205 12.926 1.00 0.00 N ATOM 67 CA LEU A 8 -12.249 -2.716 12.483 1.00 0.00 C ATOM 68 C LEU A 8 -11.140 -2.299 13.444 1.00 0.00 C ATOM 69 O LEU A 8 -11.066 -1.142 13.859 1.00 0.00 O ATOM 70 CB LEU A 8 -11.934 -2.211 11.074 1.00 0.00 C ATOM 71 CG LEU A 8 -10.545 -2.553 10.533 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.414 -4.051 10.305 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.272 -1.790 9.245 1.00 0.00 C ATOM 0 HA LEU A 8 -12.303 -3.805 12.469 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.679 -2.617 10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.049 -1.127 11.064 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.804 -2.253 11.274 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.419 -4.275 9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.565 -4.577 11.248 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.164 -4.376 9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.279 -2.045 8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.019 -2.059 8.498 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.322 -0.719 9.439 1.00 0.00 H new ATOM 85 N LYS A 9 -10.278 -3.248 13.793 1.00 0.00 N ATOM 86 CA LYS A 9 -9.171 -2.980 14.703 1.00 0.00 C ATOM 87 C LYS A 9 -7.831 -3.240 14.020 1.00 0.00 C ATOM 88 O LYS A 9 -7.352 -4.374 13.986 1.00 0.00 O ATOM 89 CB LYS A 9 -9.293 -3.847 15.958 1.00 0.00 C ATOM 90 CG LYS A 9 -10.137 -3.217 17.052 1.00 0.00 C ATOM 91 CD LYS A 9 -9.864 -3.854 18.404 1.00 0.00 C ATOM 92 CE LYS A 9 -10.639 -3.161 19.514 1.00 0.00 C ATOM 93 NZ LYS A 9 -9.945 -1.934 19.994 1.00 0.00 N ATOM 0 H LYS A 9 -10.325 -4.211 13.459 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.215 -1.929 14.990 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.727 -4.809 15.684 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.296 -4.047 16.350 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.928 -2.148 17.104 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.193 -3.324 16.805 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.137 -4.909 18.372 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.797 -3.807 18.620 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.633 -2.898 19.153 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.775 -3.851 20.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.505 -1.491 20.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.006 -2.188 20.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.838 -1.265 19.205 1.00 0.00 H new ATOM 107 N ILE A 10 -7.232 -2.184 13.481 1.00 0.00 N ATOM 108 CA ILE A 10 -5.947 -2.300 12.803 1.00 0.00 C ATOM 109 C ILE A 10 -4.903 -2.945 13.708 1.00 0.00 C ATOM 110 O ILE A 10 -4.580 -2.419 14.774 1.00 0.00 O ATOM 111 CB ILE A 10 -5.429 -0.925 12.340 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.301 -0.382 11.206 1.00 0.00 C ATOM 113 CG2 ILE A 10 -3.977 -1.027 11.897 1.00 0.00 C ATOM 114 CD1 ILE A 10 -6.154 1.108 10.990 1.00 0.00 C ATOM 0 H ILE A 10 -7.615 -1.239 13.500 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.107 -2.932 11.930 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.484 -0.232 13.179 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.046 -0.902 10.282 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.345 -0.608 11.421 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.626 -0.047 11.573 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.366 -1.374 12.730 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.898 -1.733 11.070 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.801 1.423 10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.437 1.637 11.900 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.118 1.339 10.743 1.00 0.00 H new ATOM 126 N LEU A 11 -4.379 -4.086 13.276 1.00 0.00 N ATOM 127 CA LEU A 11 -3.369 -4.804 14.047 1.00 0.00 C ATOM 128 C LEU A 11 -1.965 -4.338 13.673 1.00 0.00 C ATOM 129 O LEU A 11 -1.266 -3.727 14.481 1.00 0.00 O ATOM 130 CB LEU A 11 -3.497 -6.310 13.815 1.00 0.00 C ATOM 131 CG LEU A 11 -4.845 -6.934 14.181 1.00 0.00 C ATOM 132 CD1 LEU A 11 -4.912 -8.377 13.706 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.079 -6.853 15.683 1.00 0.00 C ATOM 0 H LEU A 11 -4.636 -4.534 12.397 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.534 -4.590 15.103 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.299 -6.513 12.763 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.719 -6.813 14.389 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.633 -6.372 13.680 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.878 -8.804 13.975 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.790 -8.410 12.623 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.116 -8.953 14.178 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.042 -7.301 15.926 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.287 -7.391 16.204 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.076 -5.809 15.996 1.00 0.00 H new ATOM 145 N THR A 12 -1.560 -4.629 12.440 1.00 0.00 N ATOM 146 CA THR A 12 -0.241 -4.239 11.958 1.00 0.00 C ATOM 147 C THR A 12 -0.348 -3.310 10.755 1.00 0.00 C ATOM 148 O THR A 12 -0.327 -3.742 9.602 1.00 0.00 O ATOM 149 CB THR A 12 0.601 -5.469 11.569 1.00 0.00 C ATOM 150 OG1 THR A 12 0.550 -6.448 12.613 1.00 0.00 O ATOM 151 CG2 THR A 12 2.047 -5.075 11.308 1.00 0.00 C ATOM 0 H THR A 12 -2.127 -5.133 11.758 1.00 0.00 H new ATOM 0 HA THR A 12 0.252 -3.714 12.776 1.00 0.00 H new ATOM 0 HB THR A 12 0.185 -5.891 10.654 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.086 -7.227 12.357 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.622 -5.960 11.035 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.086 -4.352 10.493 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.471 -4.630 12.208 1.00 0.00 H new ATOM 159 N PRO A 13 -0.465 -2.001 11.025 1.00 0.00 N ATOM 160 CA PRO A 13 -0.576 -0.983 9.977 1.00 0.00 C ATOM 161 C PRO A 13 0.724 -0.806 9.200 1.00 0.00 C ATOM 162 O PRO A 13 1.793 -1.212 9.658 1.00 0.00 O ATOM 163 CB PRO A 13 -0.912 0.292 10.755 1.00 0.00 C ATOM 164 CG PRO A 13 -0.360 0.060 12.118 1.00 0.00 C ATOM 165 CD PRO A 13 -0.497 -1.415 12.376 1.00 0.00 C ATOM 0 HA PRO A 13 -1.321 -1.250 9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.463 1.170 10.290 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.988 0.464 10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.683 0.371 12.174 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.905 0.639 12.863 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.316 -1.792 12.997 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.428 -1.648 12.893 1.00 0.00 H new ATOM 173 N LEU A 14 0.626 -0.197 8.023 1.00 0.00 N ATOM 174 CA LEU A 14 1.796 0.034 7.182 1.00 0.00 C ATOM 175 C LEU A 14 2.836 0.875 7.915 1.00 0.00 C ATOM 176 O LEU A 14 2.494 1.778 8.680 1.00 0.00 O ATOM 177 CB LEU A 14 1.385 0.729 5.883 1.00 0.00 C ATOM 178 CG LEU A 14 0.215 0.100 5.126 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.547 1.159 4.345 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.710 -0.998 4.197 1.00 0.00 C ATOM 0 H LEU A 14 -0.251 0.145 7.630 1.00 0.00 H new ATOM 0 HA LEU A 14 2.239 -0.933 6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.129 1.763 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.249 0.755 5.219 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.465 -0.345 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.376 0.692 3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.935 1.910 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.123 1.635 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.136 -1.435 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.412 -0.577 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.210 -1.771 4.781 1.00 0.00 H new ATOM 192 N THR A 15 4.109 0.574 7.676 1.00 0.00 N ATOM 193 CA THR A 15 5.199 1.303 8.312 1.00 0.00 C ATOM 194 C THR A 15 6.082 1.987 7.275 1.00 0.00 C ATOM 195 O THR A 15 6.342 1.434 6.206 1.00 0.00 O ATOM 196 CB THR A 15 6.069 0.370 9.176 1.00 0.00 C ATOM 197 OG1 THR A 15 6.728 -0.593 8.346 1.00 0.00 O ATOM 198 CG2 THR A 15 5.224 -0.346 10.219 1.00 0.00 C ATOM 0 H THR A 15 4.410 -0.170 7.046 1.00 0.00 H new ATOM 0 HA THR A 15 4.743 2.059 8.952 1.00 0.00 H new ATOM 0 HB THR A 15 6.814 0.977 9.690 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.280 -1.181 8.902 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.860 -0.999 10.817 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.747 0.389 10.868 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.459 -0.942 9.721 1.00 0.00 H new ATOM 206 N ASP A 16 6.540 3.191 7.598 1.00 0.00 N ATOM 207 CA ASP A 16 7.397 3.950 6.694 1.00 0.00 C ATOM 208 C ASP A 16 8.571 3.102 6.217 1.00 0.00 C ATOM 209 O ASP A 16 9.265 2.479 7.020 1.00 0.00 O ATOM 210 CB ASP A 16 7.911 5.213 7.385 1.00 0.00 C ATOM 211 CG ASP A 16 8.639 4.909 8.680 1.00 0.00 C ATOM 212 OD1 ASP A 16 8.133 4.080 9.465 1.00 0.00 O ATOM 213 OD2 ASP A 16 9.716 5.499 8.907 1.00 0.00 O ATOM 0 H ASP A 16 6.333 3.663 8.478 1.00 0.00 H new ATOM 0 HA ASP A 16 6.804 4.236 5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.582 5.745 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.072 5.878 7.591 1.00 0.00 H new ATOM 218 N GLN A 17 8.787 3.082 4.906 1.00 0.00 N ATOM 219 CA GLN A 17 9.876 2.308 4.323 1.00 0.00 C ATOM 220 C GLN A 17 10.593 3.108 3.240 1.00 0.00 C ATOM 221 O GLN A 17 9.984 3.523 2.253 1.00 0.00 O ATOM 222 CB GLN A 17 9.344 0.998 3.738 1.00 0.00 C ATOM 223 CG GLN A 17 9.236 -0.123 4.759 1.00 0.00 C ATOM 224 CD GLN A 17 8.617 -1.381 4.180 1.00 0.00 C ATOM 225 OE1 GLN A 17 9.133 -1.956 3.222 1.00 0.00 O ATOM 226 NE2 GLN A 17 7.505 -1.815 4.762 1.00 0.00 N ATOM 0 H GLN A 17 8.222 3.593 4.227 1.00 0.00 H new ATOM 0 HA GLN A 17 10.590 2.080 5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.361 1.177 3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.999 0.679 2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.229 -0.355 5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.637 0.217 5.604 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.112 -1.307 5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.044 -2.657 4.417 1.00 0.00 H new ATOM 235 N THR A 18 11.891 3.321 3.430 1.00 0.00 N ATOM 236 CA THR A 18 12.691 4.072 2.470 1.00 0.00 C ATOM 237 C THR A 18 13.564 3.143 1.635 1.00 0.00 C ATOM 238 O THR A 18 14.332 2.345 2.173 1.00 0.00 O ATOM 239 CB THR A 18 13.590 5.106 3.175 1.00 0.00 C ATOM 240 OG1 THR A 18 12.786 6.028 3.919 1.00 0.00 O ATOM 241 CG2 THR A 18 14.438 5.864 2.165 1.00 0.00 C ATOM 0 H THR A 18 12.411 2.984 4.240 1.00 0.00 H new ATOM 0 HA THR A 18 11.992 4.594 1.816 1.00 0.00 H new ATOM 0 HB THR A 18 14.254 4.573 3.856 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.365 6.681 4.365 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.064 6.588 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.070 5.162 1.621 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.788 6.386 1.463 1.00 0.00 H new ATOM 249 N VAL A 19 13.441 3.251 0.315 1.00 0.00 N ATOM 250 CA VAL A 19 14.220 2.421 -0.595 1.00 0.00 C ATOM 251 C VAL A 19 14.795 3.249 -1.738 1.00 0.00 C ATOM 252 O VAL A 19 14.207 4.247 -2.152 1.00 0.00 O ATOM 253 CB VAL A 19 13.369 1.279 -1.181 1.00 0.00 C ATOM 254 CG1 VAL A 19 14.257 0.136 -1.649 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.354 0.792 -0.158 1.00 0.00 C ATOM 0 H VAL A 19 12.809 3.905 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 19 15.037 1.994 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 19 12.825 1.661 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.638 -0.661 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.940 0.497 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.830 -0.248 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.761 -0.015 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.876 0.427 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.697 1.615 0.123 1.00 0.00 H new ATOM 265 N ASN A 20 15.949 2.828 -2.245 1.00 0.00 N ATOM 266 CA ASN A 20 16.605 3.531 -3.342 1.00 0.00 C ATOM 267 C ASN A 20 15.755 3.478 -4.608 1.00 0.00 C ATOM 268 O ASN A 20 14.900 2.604 -4.758 1.00 0.00 O ATOM 269 CB ASN A 20 17.983 2.925 -3.613 1.00 0.00 C ATOM 270 CG ASN A 20 18.518 3.295 -4.983 1.00 0.00 C ATOM 271 OD1 ASN A 20 18.276 2.595 -5.966 1.00 0.00 O ATOM 272 ND2 ASN A 20 19.251 4.400 -5.053 1.00 0.00 N ATOM 0 H ASN A 20 16.450 2.003 -1.914 1.00 0.00 H new ATOM 0 HA ASN A 20 16.726 4.574 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.683 3.264 -2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.922 1.840 -3.531 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.639 4.699 -5.948 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.426 4.950 -4.212 1.00 0.00 H new ATOM 279 N LEU A 21 15.997 4.416 -5.516 1.00 0.00 N ATOM 280 CA LEU A 21 15.255 4.476 -6.771 1.00 0.00 C ATOM 281 C LEU A 21 15.497 3.223 -7.607 1.00 0.00 C ATOM 282 O LEU A 21 16.628 2.756 -7.731 1.00 0.00 O ATOM 283 CB LEU A 21 15.659 5.719 -7.566 1.00 0.00 C ATOM 284 CG LEU A 21 14.748 6.093 -8.736 1.00 0.00 C ATOM 285 CD1 LEU A 21 14.838 7.582 -9.028 1.00 0.00 C ATOM 286 CD2 LEU A 21 15.108 5.281 -9.972 1.00 0.00 C ATOM 0 H LEU A 21 16.701 5.146 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 21 14.193 4.533 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.703 6.566 -6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.668 5.568 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 21 13.719 5.860 -8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.183 7.829 -9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.530 8.145 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.865 7.841 -9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.450 5.560 -10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.142 5.482 -10.251 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.990 4.219 -9.757 1.00 0.00 H new ATOM 298 N GLY A 22 14.425 2.685 -8.180 1.00 0.00 N ATOM 299 CA GLY A 22 14.542 1.492 -8.999 1.00 0.00 C ATOM 300 C GLY A 22 14.379 0.218 -8.194 1.00 0.00 C ATOM 301 O GLY A 22 13.961 -0.811 -8.725 1.00 0.00 O ATOM 0 H GLY A 22 13.478 3.053 -8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.788 1.520 -9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.515 1.486 -9.490 1.00 0.00 H new ATOM 305 N LYS A 23 14.712 0.285 -6.910 1.00 0.00 N ATOM 306 CA LYS A 23 14.601 -0.872 -6.029 1.00 0.00 C ATOM 307 C LYS A 23 13.178 -1.420 -6.028 1.00 0.00 C ATOM 308 O LYS A 23 12.293 -0.876 -6.687 1.00 0.00 O ATOM 309 CB LYS A 23 15.016 -0.495 -4.605 1.00 0.00 C ATOM 310 CG LYS A 23 16.509 -0.270 -4.445 1.00 0.00 C ATOM 311 CD LYS A 23 17.288 -1.565 -4.598 1.00 0.00 C ATOM 312 CE LYS A 23 18.753 -1.382 -4.230 1.00 0.00 C ATOM 313 NZ LYS A 23 19.513 -2.659 -4.325 1.00 0.00 N ATOM 0 H LYS A 23 15.061 1.129 -6.456 1.00 0.00 H new ATOM 0 HA LYS A 23 15.269 -1.648 -6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.487 0.411 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.701 -1.285 -3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.851 0.451 -5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.710 0.163 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.846 -2.334 -3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.212 -1.917 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.204 -0.641 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.826 -0.990 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.506 -2.492 -4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.099 -3.358 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.465 -3.020 -5.299 1.00 0.00 H new ATOM 327 N GLU A 24 12.966 -2.500 -5.281 1.00 0.00 N ATOM 328 CA GLU A 24 11.649 -3.121 -5.195 1.00 0.00 C ATOM 329 C GLU A 24 10.988 -2.809 -3.855 1.00 0.00 C ATOM 330 O GLU A 24 11.226 -3.494 -2.860 1.00 0.00 O ATOM 331 CB GLU A 24 11.761 -4.635 -5.380 1.00 0.00 C ATOM 332 CG GLU A 24 10.418 -5.343 -5.434 1.00 0.00 C ATOM 333 CD GLU A 24 10.496 -6.689 -6.129 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.408 -6.877 -6.961 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.643 -7.555 -5.839 1.00 0.00 O ATOM 0 H GLU A 24 13.688 -2.962 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 24 11.029 -2.710 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.308 -4.841 -6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.348 -5.050 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.044 -5.483 -4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.699 -4.711 -5.954 1.00 0.00 H new ATOM 342 N ILE A 25 10.158 -1.772 -3.839 1.00 0.00 N ATOM 343 CA ILE A 25 9.462 -1.370 -2.623 1.00 0.00 C ATOM 344 C ILE A 25 8.468 -2.438 -2.180 1.00 0.00 C ATOM 345 O ILE A 25 7.770 -3.031 -3.003 1.00 0.00 O ATOM 346 CB ILE A 25 8.714 -0.037 -2.817 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.706 1.094 -3.092 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.868 0.278 -1.592 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.062 2.335 -3.669 1.00 0.00 C ATOM 0 H ILE A 25 9.951 -1.195 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 25 10.222 -1.242 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 25 8.052 -0.130 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.213 1.356 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.470 0.736 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.346 1.223 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.140 -0.519 -1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.512 0.356 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.824 3.095 -3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.579 2.088 -4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.318 2.717 -2.970 1.00 0.00 H new ATOM 361 N CYS A 26 8.408 -2.677 -0.874 1.00 0.00 N ATOM 362 CA CYS A 26 7.499 -3.674 -0.320 1.00 0.00 C ATOM 363 C CYS A 26 6.746 -3.114 0.882 1.00 0.00 C ATOM 364 O CYS A 26 7.308 -2.374 1.691 1.00 0.00 O ATOM 365 CB CYS A 26 8.271 -4.930 0.086 1.00 0.00 C ATOM 366 SG CYS A 26 9.468 -4.663 1.415 1.00 0.00 S ATOM 0 H CYS A 26 8.978 -2.194 -0.180 1.00 0.00 H new ATOM 0 HA CYS A 26 6.774 -3.936 -1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.560 -5.695 0.400 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.794 -5.320 -0.787 1.00 0.00 H new ATOM 0 HG CYS A 26 9.182 -3.560 2.041 1.00 0.00 H new ATOM 372 N LEU A 27 5.471 -3.470 0.994 1.00 0.00 N ATOM 373 CA LEU A 27 4.640 -3.002 2.097 1.00 0.00 C ATOM 374 C LEU A 27 3.607 -4.055 2.486 1.00 0.00 C ATOM 375 O LEU A 27 2.798 -4.481 1.661 1.00 0.00 O ATOM 376 CB LEU A 27 3.936 -1.699 1.714 1.00 0.00 C ATOM 377 CG LEU A 27 4.845 -0.498 1.448 1.00 0.00 C ATOM 378 CD1 LEU A 27 4.158 0.497 0.526 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.244 0.170 2.755 1.00 0.00 C ATOM 0 H LEU A 27 4.990 -4.081 0.334 1.00 0.00 H new ATOM 0 HA LEU A 27 5.287 -2.820 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.338 -1.881 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.243 -1.435 2.513 1.00 0.00 H new ATOM 0 HG LEU A 27 5.750 -0.854 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.820 1.345 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.925 0.013 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.236 0.847 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.891 1.022 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.350 0.512 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.778 -0.545 3.381 1.00 0.00 H new ATOM 391 N LYS A 28 3.640 -4.471 3.747 1.00 0.00 N ATOM 392 CA LYS A 28 2.705 -5.472 4.248 1.00 0.00 C ATOM 393 C LYS A 28 1.918 -4.934 5.439 1.00 0.00 C ATOM 394 O LYS A 28 2.449 -4.181 6.257 1.00 0.00 O ATOM 395 CB LYS A 28 3.455 -6.743 4.651 1.00 0.00 C ATOM 396 CG LYS A 28 2.546 -7.856 5.141 1.00 0.00 C ATOM 397 CD LYS A 28 2.302 -7.758 6.638 1.00 0.00 C ATOM 398 CE LYS A 28 3.351 -8.528 7.425 1.00 0.00 C ATOM 399 NZ LYS A 28 3.347 -8.155 8.867 1.00 0.00 N ATOM 0 H LYS A 28 4.305 -4.130 4.442 1.00 0.00 H new ATOM 0 HA LYS A 28 2.003 -5.709 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.028 -7.103 3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.172 -6.499 5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.594 -7.809 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.993 -8.822 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.313 -6.711 6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.311 -8.147 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.167 -9.598 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.337 -8.334 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.076 -8.701 9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.548 -7.139 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.414 -8.364 9.277 1.00 0.00 H new ATOM 413 N CYS A 29 0.653 -5.326 5.532 1.00 0.00 N ATOM 414 CA CYS A 29 -0.207 -4.883 6.624 1.00 0.00 C ATOM 415 C CYS A 29 -1.179 -5.985 7.031 1.00 0.00 C ATOM 416 O CYS A 29 -1.488 -6.876 6.241 1.00 0.00 O ATOM 417 CB CYS A 29 -0.981 -3.629 6.216 1.00 0.00 C ATOM 418 SG CYS A 29 -1.797 -3.756 4.607 1.00 0.00 S ATOM 0 H CYS A 29 0.199 -5.950 4.865 1.00 0.00 H new ATOM 0 HA CYS A 29 0.426 -4.647 7.479 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.732 -3.415 6.976 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.295 -2.782 6.198 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.250 -4.713 3.918 1.00 0.00 H new ATOM 424 N GLU A 30 -1.657 -5.918 8.270 1.00 0.00 N ATOM 425 CA GLU A 30 -2.592 -6.912 8.783 1.00 0.00 C ATOM 426 C GLU A 30 -3.811 -6.241 9.409 1.00 0.00 C ATOM 427 O GLU A 30 -3.738 -5.099 9.865 1.00 0.00 O ATOM 428 CB GLU A 30 -1.904 -7.809 9.814 1.00 0.00 C ATOM 429 CG GLU A 30 -2.700 -9.054 10.166 1.00 0.00 C ATOM 430 CD GLU A 30 -1.860 -10.104 10.868 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.649 -10.187 10.576 1.00 0.00 O ATOM 432 OE2 GLU A 30 -2.414 -10.843 11.708 1.00 0.00 O ATOM 0 H GLU A 30 -1.412 -5.186 8.937 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.926 -7.524 7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.929 -8.108 9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.726 -7.233 10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.537 -8.776 10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.122 -9.480 9.256 1.00 0.00 H new ATOM 439 N ILE A 31 -4.930 -6.957 9.427 1.00 0.00 N ATOM 440 CA ILE A 31 -6.164 -6.432 9.998 1.00 0.00 C ATOM 441 C ILE A 31 -6.930 -7.518 10.745 1.00 0.00 C ATOM 442 O ILE A 31 -6.611 -8.702 10.639 1.00 0.00 O ATOM 443 CB ILE A 31 -7.075 -5.831 8.911 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.178 -6.783 7.718 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.549 -4.474 8.470 1.00 0.00 C ATOM 446 CD1 ILE A 31 -7.864 -6.173 6.516 1.00 0.00 C ATOM 0 H ILE A 31 -5.007 -7.903 9.053 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.879 -5.646 10.698 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.072 -5.693 9.329 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.176 -7.103 7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.723 -7.677 8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.203 -4.062 7.702 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.523 -3.798 9.325 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.543 -4.587 8.067 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.901 -6.904 5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.878 -5.879 6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.307 -5.296 6.186 1.00 0.00 H new ATOM 458 N SER A 32 -7.943 -7.106 11.500 1.00 0.00 N ATOM 459 CA SER A 32 -8.755 -8.044 12.268 1.00 0.00 C ATOM 460 C SER A 32 -10.073 -8.332 11.555 1.00 0.00 C ATOM 461 O SER A 32 -11.049 -8.747 12.177 1.00 0.00 O ATOM 462 CB SER A 32 -9.030 -7.487 13.666 1.00 0.00 C ATOM 463 OG SER A 32 -9.570 -6.179 13.597 1.00 0.00 O ATOM 0 H SER A 32 -8.221 -6.130 11.597 1.00 0.00 H new ATOM 0 HA SER A 32 -8.199 -8.977 12.359 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.724 -8.143 14.192 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.105 -7.472 14.243 1.00 0.00 H new ATOM 0 HG SER A 32 -8.843 -5.523 13.629 1.00 0.00 H new ATOM 469 N GLU A 33 -10.091 -8.107 10.244 1.00 0.00 N ATOM 470 CA GLU A 33 -11.288 -8.342 9.446 1.00 0.00 C ATOM 471 C GLU A 33 -10.922 -8.821 8.044 1.00 0.00 C ATOM 472 O GLU A 33 -9.956 -8.349 7.448 1.00 0.00 O ATOM 473 CB GLU A 33 -12.127 -7.065 9.358 1.00 0.00 C ATOM 474 CG GLU A 33 -12.871 -6.736 10.641 1.00 0.00 C ATOM 475 CD GLU A 33 -14.124 -7.572 10.820 1.00 0.00 C ATOM 476 OE1 GLU A 33 -14.048 -8.803 10.625 1.00 0.00 O ATOM 477 OE2 GLU A 33 -15.180 -6.995 11.154 1.00 0.00 O ATOM 0 H GLU A 33 -9.291 -7.763 9.713 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.873 -9.120 9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.476 -6.229 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.847 -7.169 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.208 -6.895 11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.141 -5.680 10.640 1.00 0.00 H new ATOM 484 N ASN A 34 -11.703 -9.763 7.525 1.00 0.00 N ATOM 485 CA ASN A 34 -11.461 -10.308 6.194 1.00 0.00 C ATOM 486 C ASN A 34 -12.302 -9.582 5.148 1.00 0.00 C ATOM 487 O ASN A 34 -13.482 -9.885 4.967 1.00 0.00 O ATOM 488 CB ASN A 34 -11.775 -11.805 6.168 1.00 0.00 C ATOM 489 CG ASN A 34 -10.605 -12.650 6.633 1.00 0.00 C ATOM 490 OD1 ASN A 34 -9.796 -13.108 5.826 1.00 0.00 O ATOM 491 ND2 ASN A 34 -10.510 -12.860 7.941 1.00 0.00 N ATOM 0 H ASN A 34 -12.508 -10.165 8.005 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.408 -10.161 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.638 -12.003 6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.051 -12.098 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.743 -13.421 8.313 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.204 -12.461 8.573 1.00 0.00 H new ATOM 498 N ILE A 35 -11.687 -8.625 4.463 1.00 0.00 N ATOM 499 CA ILE A 35 -12.378 -7.857 3.434 1.00 0.00 C ATOM 500 C ILE A 35 -11.389 -7.238 2.452 1.00 0.00 C ATOM 501 O ILE A 35 -10.244 -6.937 2.792 1.00 0.00 O ATOM 502 CB ILE A 35 -13.241 -6.740 4.050 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.361 -5.750 4.815 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.301 -7.333 4.966 1.00 0.00 C ATOM 505 CD1 ILE A 35 -12.910 -4.340 4.829 1.00 0.00 C ATOM 0 H ILE A 35 -10.711 -8.362 4.601 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.026 -8.554 2.902 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.744 -6.204 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.246 -6.097 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.367 -5.740 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.903 -6.531 5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.943 -8.003 4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.818 -7.891 5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.235 -3.692 5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.999 -3.974 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.892 -4.337 5.302 1.00 0.00 H new ATOM 517 N PRO A 36 -11.839 -7.040 1.204 1.00 0.00 N ATOM 518 CA PRO A 36 -11.011 -6.452 0.148 1.00 0.00 C ATOM 519 C PRO A 36 -10.731 -4.972 0.386 1.00 0.00 C ATOM 520 O PRO A 36 -11.510 -4.281 1.041 1.00 0.00 O ATOM 521 CB PRO A 36 -11.858 -6.640 -1.113 1.00 0.00 C ATOM 522 CG PRO A 36 -13.261 -6.712 -0.619 1.00 0.00 C ATOM 523 CD PRO A 36 -13.192 -7.375 0.729 1.00 0.00 C ATOM 0 HA PRO A 36 -10.029 -6.921 0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.725 -5.810 -1.807 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.579 -7.549 -1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.699 -5.717 -0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.887 -7.284 -1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.960 -6.996 1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.337 -8.453 0.655 1.00 0.00 H new ATOM 531 N GLY A 37 -9.613 -4.492 -0.150 1.00 0.00 N ATOM 532 CA GLY A 37 -9.251 -3.096 0.016 1.00 0.00 C ATOM 533 C GLY A 37 -8.409 -2.576 -1.132 1.00 0.00 C ATOM 534 O GLY A 37 -7.758 -3.349 -1.835 1.00 0.00 O ATOM 0 H GLY A 37 -8.952 -5.044 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.157 -2.496 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.702 -2.975 0.950 1.00 0.00 H new ATOM 538 N LYS A 38 -8.422 -1.261 -1.324 1.00 0.00 N ATOM 539 CA LYS A 38 -7.654 -0.636 -2.395 1.00 0.00 C ATOM 540 C LYS A 38 -6.680 0.396 -1.836 1.00 0.00 C ATOM 541 O LYS A 38 -6.952 1.030 -0.817 1.00 0.00 O ATOM 542 CB LYS A 38 -8.594 0.028 -3.404 1.00 0.00 C ATOM 543 CG LYS A 38 -9.412 -0.961 -4.216 1.00 0.00 C ATOM 544 CD LYS A 38 -10.689 -1.356 -3.493 1.00 0.00 C ATOM 545 CE LYS A 38 -11.815 -0.374 -3.774 1.00 0.00 C ATOM 546 NZ LYS A 38 -12.292 -0.465 -5.182 1.00 0.00 N ATOM 0 H LYS A 38 -8.956 -0.607 -0.752 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.081 -1.414 -2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.271 0.696 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.006 0.645 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.661 -0.522 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.815 -1.851 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.991 -2.356 -3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.502 -1.400 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.646 -0.570 -3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.471 0.640 -3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.258 -0.085 -5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.661 0.086 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.290 -1.460 -5.485 1.00 0.00 H new ATOM 560 N TRP A 39 -5.547 0.558 -2.509 1.00 0.00 N ATOM 561 CA TRP A 39 -4.533 1.515 -2.079 1.00 0.00 C ATOM 562 C TRP A 39 -4.676 2.833 -2.831 1.00 0.00 C ATOM 563 O TRP A 39 -5.350 2.905 -3.859 1.00 0.00 O ATOM 564 CB TRP A 39 -3.133 0.938 -2.296 1.00 0.00 C ATOM 565 CG TRP A 39 -2.954 -0.427 -1.702 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.719 -1.532 -1.943 1.00 0.00 C ATOM 567 CD2 TRP A 39 -1.947 -0.828 -0.767 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.248 -2.597 -1.214 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.161 -2.192 -0.485 1.00 0.00 C ATOM 570 CE3 TRP A 39 -0.885 -0.170 -0.142 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.352 -2.905 0.395 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.083 -0.879 0.731 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.319 -2.236 0.993 1.00 0.00 C ATOM 0 H TRP A 39 -5.307 0.040 -3.354 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.678 1.707 -1.016 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -2.929 0.890 -3.366 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.397 1.615 -1.861 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.569 -1.564 -2.609 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.644 -3.537 -1.215 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.694 0.875 -0.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.533 -3.950 0.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.740 -0.379 1.220 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.327 -2.763 1.680 1.00 0.00 H new ATOM 584 N THR A 40 -4.036 3.877 -2.312 1.00 0.00 N ATOM 585 CA THR A 40 -4.093 5.194 -2.934 1.00 0.00 C ATOM 586 C THR A 40 -2.855 6.017 -2.594 1.00 0.00 C ATOM 587 O THR A 40 -2.450 6.097 -1.434 1.00 0.00 O ATOM 588 CB THR A 40 -5.348 5.971 -2.493 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.556 5.807 -1.085 1.00 0.00 O ATOM 590 CG2 THR A 40 -6.576 5.489 -3.251 1.00 0.00 C ATOM 0 H THR A 40 -3.473 3.836 -1.463 1.00 0.00 H new ATOM 0 HA THR A 40 -4.135 5.032 -4.011 1.00 0.00 H new ATOM 0 HB THR A 40 -5.193 7.026 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.869 5.211 -0.720 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.450 6.052 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.427 5.641 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.732 4.428 -3.054 1.00 0.00 H new ATOM 598 N LYS A 41 -2.258 6.627 -3.612 1.00 0.00 N ATOM 599 CA LYS A 41 -1.067 7.446 -3.421 1.00 0.00 C ATOM 600 C LYS A 41 -1.345 8.902 -3.779 1.00 0.00 C ATOM 601 O LYS A 41 -2.067 9.190 -4.732 1.00 0.00 O ATOM 602 CB LYS A 41 0.086 6.911 -4.274 1.00 0.00 C ATOM 603 CG LYS A 41 1.457 7.175 -3.676 1.00 0.00 C ATOM 604 CD LYS A 41 2.002 8.527 -4.105 1.00 0.00 C ATOM 605 CE LYS A 41 2.610 8.467 -5.498 1.00 0.00 C ATOM 606 NZ LYS A 41 1.596 8.724 -6.557 1.00 0.00 N ATOM 0 H LYS A 41 -2.580 6.570 -4.578 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.787 7.396 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.041 5.837 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.037 7.366 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.394 7.136 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.147 6.389 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.200 9.265 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.756 8.859 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.411 9.202 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.060 7.487 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.025 9.288 -7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.261 7.819 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.793 9.245 -6.150 1.00 0.00 H new ATOM 620 N ASN A 42 -0.765 9.817 -3.009 1.00 0.00 N ATOM 621 CA ASN A 42 -0.950 11.244 -3.246 1.00 0.00 C ATOM 622 C ASN A 42 -2.405 11.556 -3.579 1.00 0.00 C ATOM 623 O ASN A 42 -2.692 12.371 -4.455 1.00 0.00 O ATOM 624 CB ASN A 42 -0.042 11.715 -4.384 1.00 0.00 C ATOM 625 CG ASN A 42 1.430 11.584 -4.041 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.808 11.581 -2.870 1.00 0.00 O ATOM 627 ND2 ASN A 42 2.268 11.476 -5.066 1.00 0.00 N ATOM 0 H ASN A 42 -0.163 9.596 -2.216 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.683 11.776 -2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.256 11.134 -5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.267 12.756 -4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.270 11.386 -4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.909 11.483 -6.021 1.00 0.00 H new ATOM 634 N GLY A 43 -3.322 10.901 -2.873 1.00 0.00 N ATOM 635 CA GLY A 43 -4.737 11.122 -3.108 1.00 0.00 C ATOM 636 C GLY A 43 -5.167 10.700 -4.499 1.00 0.00 C ATOM 637 O GLY A 43 -6.011 11.347 -5.120 1.00 0.00 O ATOM 0 H GLY A 43 -3.110 10.221 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.316 10.568 -2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.965 12.178 -2.965 1.00 0.00 H new ATOM 641 N LEU A 44 -4.585 9.611 -4.990 1.00 0.00 N ATOM 642 CA LEU A 44 -4.912 9.103 -6.318 1.00 0.00 C ATOM 643 C LEU A 44 -5.029 7.582 -6.305 1.00 0.00 C ATOM 644 O LEU A 44 -4.338 6.888 -5.560 1.00 0.00 O ATOM 645 CB LEU A 44 -3.846 9.535 -7.327 1.00 0.00 C ATOM 646 CG LEU A 44 -3.583 11.038 -7.423 1.00 0.00 C ATOM 647 CD1 LEU A 44 -2.199 11.302 -7.997 1.00 0.00 C ATOM 648 CD2 LEU A 44 -4.651 11.714 -8.270 1.00 0.00 C ATOM 0 H LEU A 44 -3.885 9.063 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.874 9.521 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.910 9.038 -7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.140 9.174 -8.313 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.624 11.459 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.029 12.377 -8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.445 10.852 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.129 10.867 -8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.447 12.783 -8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.642 11.289 -9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.629 11.555 -7.817 1.00 0.00 H new ATOM 660 N PRO A 45 -5.924 7.050 -7.151 1.00 0.00 N ATOM 661 CA PRO A 45 -6.152 5.606 -7.258 1.00 0.00 C ATOM 662 C PRO A 45 -4.972 4.879 -7.894 1.00 0.00 C ATOM 663 O PRO A 45 -4.784 4.926 -9.110 1.00 0.00 O ATOM 664 CB PRO A 45 -7.388 5.507 -8.155 1.00 0.00 C ATOM 665 CG PRO A 45 -7.374 6.761 -8.959 1.00 0.00 C ATOM 666 CD PRO A 45 -6.783 7.818 -8.068 1.00 0.00 C ATOM 0 HA PRO A 45 -6.280 5.140 -6.281 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.343 4.626 -8.795 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.300 5.426 -7.564 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.780 6.637 -9.865 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.381 7.034 -9.273 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.210 8.549 -8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.555 8.368 -7.530 1.00 0.00 H new ATOM 674 N VAL A 46 -4.180 4.207 -7.065 1.00 0.00 N ATOM 675 CA VAL A 46 -3.019 3.469 -7.548 1.00 0.00 C ATOM 676 C VAL A 46 -3.383 2.589 -8.739 1.00 0.00 C ATOM 677 O VAL A 46 -4.434 1.949 -8.751 1.00 0.00 O ATOM 678 CB VAL A 46 -2.414 2.587 -6.439 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.140 1.915 -6.927 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.147 3.412 -5.189 1.00 0.00 C ATOM 0 H VAL A 46 -4.321 4.158 -6.056 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.281 4.208 -7.858 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.133 1.808 -6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.727 1.296 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.366 1.291 -7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.413 2.676 -7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.720 2.773 -4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.447 4.214 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.082 3.841 -4.829 1.00 0.00 H new ATOM 690 N GLN A 47 -2.507 2.563 -9.738 1.00 0.00 N ATOM 691 CA GLN A 47 -2.737 1.762 -10.934 1.00 0.00 C ATOM 692 C GLN A 47 -2.056 0.403 -10.819 1.00 0.00 C ATOM 693 O GLN A 47 -0.837 0.320 -10.675 1.00 0.00 O ATOM 694 CB GLN A 47 -2.225 2.499 -12.173 1.00 0.00 C ATOM 695 CG GLN A 47 -3.149 3.610 -12.646 1.00 0.00 C ATOM 696 CD GLN A 47 -2.589 4.369 -13.833 1.00 0.00 C ATOM 697 OE1 GLN A 47 -1.494 4.927 -13.767 1.00 0.00 O ATOM 698 NE2 GLN A 47 -3.340 4.393 -14.928 1.00 0.00 N ATOM 0 H GLN A 47 -1.632 3.087 -9.743 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.811 1.602 -11.032 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.244 2.922 -11.954 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.090 1.781 -12.982 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.115 3.184 -12.915 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.325 4.305 -11.825 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.242 3.916 -14.938 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.015 4.888 -15.759 1.00 0.00 H new ATOM 707 N GLU A 48 -2.852 -0.660 -10.882 1.00 0.00 N ATOM 708 CA GLU A 48 -2.324 -2.016 -10.782 1.00 0.00 C ATOM 709 C GLU A 48 -1.824 -2.506 -12.138 1.00 0.00 C ATOM 710 O GLU A 48 -2.418 -2.208 -13.175 1.00 0.00 O ATOM 711 CB GLU A 48 -3.397 -2.967 -10.248 1.00 0.00 C ATOM 712 CG GLU A 48 -3.577 -2.896 -8.741 1.00 0.00 C ATOM 713 CD GLU A 48 -4.966 -3.314 -8.299 1.00 0.00 C ATOM 714 OE1 GLU A 48 -5.846 -3.469 -9.172 1.00 0.00 O ATOM 715 OE2 GLU A 48 -5.174 -3.486 -7.080 1.00 0.00 O ATOM 0 H GLU A 48 -3.864 -0.609 -11.002 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.484 -2.001 -10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.347 -2.737 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.137 -3.988 -10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.838 -3.537 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.383 -1.878 -8.403 1.00 0.00 H new ATOM 722 N SER A 49 -0.729 -3.258 -12.122 1.00 0.00 N ATOM 723 CA SER A 49 -0.146 -3.786 -13.350 1.00 0.00 C ATOM 724 C SER A 49 0.903 -4.849 -13.040 1.00 0.00 C ATOM 725 O SER A 49 1.325 -5.005 -11.893 1.00 0.00 O ATOM 726 CB SER A 49 0.482 -2.657 -14.168 1.00 0.00 C ATOM 727 OG SER A 49 0.559 -3.003 -15.540 1.00 0.00 O ATOM 0 H SER A 49 -0.227 -3.516 -11.272 1.00 0.00 H new ATOM 0 HA SER A 49 -0.944 -4.247 -13.933 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.108 -1.748 -14.052 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.480 -2.440 -13.788 1.00 0.00 H new ATOM 0 HG SER A 49 0.962 -2.264 -16.042 1.00 0.00 H new ATOM 733 N ASP A 50 1.321 -5.578 -14.069 1.00 0.00 N ATOM 734 CA ASP A 50 2.322 -6.626 -13.908 1.00 0.00 C ATOM 735 C ASP A 50 3.360 -6.230 -12.864 1.00 0.00 C ATOM 736 O ASP A 50 3.837 -7.069 -12.099 1.00 0.00 O ATOM 737 CB ASP A 50 3.008 -6.914 -15.244 1.00 0.00 C ATOM 738 CG ASP A 50 4.259 -7.755 -15.083 1.00 0.00 C ATOM 739 OD1 ASP A 50 4.140 -8.998 -15.062 1.00 0.00 O ATOM 740 OD2 ASP A 50 5.358 -7.171 -14.977 1.00 0.00 O ATOM 0 H ASP A 50 0.982 -5.462 -15.024 1.00 0.00 H new ATOM 0 HA ASP A 50 1.816 -7.529 -13.566 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.310 -7.429 -15.904 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.267 -5.972 -15.727 1.00 0.00 H new ATOM 745 N ARG A 51 3.707 -4.947 -12.838 1.00 0.00 N ATOM 746 CA ARG A 51 4.691 -4.441 -11.889 1.00 0.00 C ATOM 747 C ARG A 51 4.083 -4.303 -10.497 1.00 0.00 C ATOM 748 O ARG A 51 4.632 -4.807 -9.515 1.00 0.00 O ATOM 749 CB ARG A 51 5.232 -3.088 -12.357 1.00 0.00 C ATOM 750 CG ARG A 51 6.129 -3.181 -13.581 1.00 0.00 C ATOM 751 CD ARG A 51 5.317 -3.374 -14.852 1.00 0.00 C ATOM 752 NE ARG A 51 6.128 -3.185 -16.052 1.00 0.00 N ATOM 753 CZ ARG A 51 6.466 -1.992 -16.530 1.00 0.00 C ATOM 754 NH1 ARG A 51 6.066 -0.889 -15.912 1.00 0.00 N ATOM 755 NH2 ARG A 51 7.205 -1.901 -17.628 1.00 0.00 N ATOM 0 H ARG A 51 3.321 -4.239 -13.463 1.00 0.00 H new ATOM 0 HA ARG A 51 5.512 -5.156 -11.839 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.393 -2.429 -12.581 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.790 -2.628 -11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.728 -2.274 -13.665 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.824 -4.012 -13.462 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.887 -4.375 -14.859 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.485 -2.670 -14.862 1.00 0.00 H new ATOM 0 HE ARG A 51 6.453 -4.014 -16.550 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.498 -0.955 -15.068 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.327 0.025 -16.281 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.514 -2.747 -18.106 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.464 -0.985 -17.994 1.00 0.00 H new ATOM 769 N LEU A 52 2.947 -3.619 -10.418 1.00 0.00 N ATOM 770 CA LEU A 52 2.264 -3.415 -9.145 1.00 0.00 C ATOM 771 C LEU A 52 1.138 -4.428 -8.963 1.00 0.00 C ATOM 772 O LEU A 52 0.147 -4.410 -9.692 1.00 0.00 O ATOM 773 CB LEU A 52 1.703 -1.994 -9.068 1.00 0.00 C ATOM 774 CG LEU A 52 1.478 -1.437 -7.661 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.370 0.080 -7.698 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.230 -2.047 -7.040 1.00 0.00 C ATOM 0 H LEU A 52 2.479 -3.196 -11.220 1.00 0.00 H new ATOM 0 HA LEU A 52 2.990 -3.558 -8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.384 -1.327 -9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.754 -1.970 -9.603 1.00 0.00 H new ATOM 0 HG LEU A 52 2.335 -1.705 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.210 0.458 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.291 0.501 -8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.531 0.370 -8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.085 -1.640 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.637 -1.810 -7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.346 -3.129 -6.978 1.00 0.00 H new ATOM 788 N LYS A 53 1.298 -5.312 -7.983 1.00 0.00 N ATOM 789 CA LYS A 53 0.295 -6.332 -7.701 1.00 0.00 C ATOM 790 C LYS A 53 -0.179 -6.242 -6.254 1.00 0.00 C ATOM 791 O LYS A 53 0.588 -5.885 -5.359 1.00 0.00 O ATOM 792 CB LYS A 53 0.864 -7.725 -7.977 1.00 0.00 C ATOM 793 CG LYS A 53 2.114 -8.042 -7.175 1.00 0.00 C ATOM 794 CD LYS A 53 3.373 -7.628 -7.918 1.00 0.00 C ATOM 795 CE LYS A 53 3.860 -8.730 -8.847 1.00 0.00 C ATOM 796 NZ LYS A 53 5.035 -8.298 -9.653 1.00 0.00 N ATOM 0 H LYS A 53 2.113 -5.342 -7.371 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.559 -6.159 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.101 -8.471 -7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.093 -7.811 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.071 -7.528 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.150 -9.111 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.176 -6.725 -8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.156 -7.383 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.126 -9.609 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.051 -9.026 -9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.624 -9.125 -9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.707 -7.856 -10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.595 -7.611 -9.109 1.00 0.00 H new ATOM 810 N VAL A 54 -1.448 -6.570 -6.030 1.00 0.00 N ATOM 811 CA VAL A 54 -2.024 -6.529 -4.692 1.00 0.00 C ATOM 812 C VAL A 54 -2.437 -7.921 -4.228 1.00 0.00 C ATOM 813 O VAL A 54 -3.519 -8.403 -4.564 1.00 0.00 O ATOM 814 CB VAL A 54 -3.248 -5.596 -4.636 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.881 -5.628 -3.253 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.855 -4.178 -5.018 1.00 0.00 C ATOM 0 H VAL A 54 -2.097 -6.867 -6.759 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.252 -6.143 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.986 -5.950 -5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.744 -4.963 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.201 -6.644 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.152 -5.300 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.732 -3.533 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.098 -3.811 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.452 -4.172 -6.031 1.00 0.00 H new ATOM 826 N VAL A 55 -1.569 -8.564 -3.454 1.00 0.00 N ATOM 827 CA VAL A 55 -1.844 -9.901 -2.942 1.00 0.00 C ATOM 828 C VAL A 55 -2.482 -9.840 -1.559 1.00 0.00 C ATOM 829 O VAL A 55 -2.198 -8.936 -0.774 1.00 0.00 O ATOM 830 CB VAL A 55 -0.559 -10.748 -2.866 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.817 -12.041 -2.107 1.00 0.00 C ATOM 832 CG2 VAL A 55 -0.028 -11.036 -4.262 1.00 0.00 C ATOM 0 H VAL A 55 -0.668 -8.180 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.539 -10.370 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 55 0.198 -10.181 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.101 -12.627 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.148 -11.809 -1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.589 -12.615 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.880 -11.635 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.779 -11.583 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.197 -10.096 -4.767 1.00 0.00 H new ATOM 842 N GLN A 56 -3.345 -10.808 -1.269 1.00 0.00 N ATOM 843 CA GLN A 56 -4.024 -10.864 0.021 1.00 0.00 C ATOM 844 C GLN A 56 -3.779 -12.203 0.708 1.00 0.00 C ATOM 845 O GLN A 56 -3.909 -13.262 0.093 1.00 0.00 O ATOM 846 CB GLN A 56 -5.526 -10.637 -0.160 1.00 0.00 C ATOM 847 CG GLN A 56 -6.324 -10.798 1.123 1.00 0.00 C ATOM 848 CD GLN A 56 -7.821 -10.812 0.882 1.00 0.00 C ATOM 849 OE1 GLN A 56 -8.281 -11.102 -0.223 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.591 -10.498 1.917 1.00 0.00 N ATOM 0 H GLN A 56 -3.591 -11.564 -1.909 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.617 -10.074 0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.688 -9.634 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.904 -11.338 -0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.030 -11.725 1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.077 -9.984 1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.168 -10.264 2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.606 -10.491 1.814 1.00 0.00 H new ATOM 859 N LYS A 57 -3.423 -12.150 1.987 1.00 0.00 N ATOM 860 CA LYS A 57 -3.160 -13.358 2.759 1.00 0.00 C ATOM 861 C LYS A 57 -3.915 -13.332 4.084 1.00 0.00 C ATOM 862 O LYS A 57 -3.437 -12.775 5.071 1.00 0.00 O ATOM 863 CB LYS A 57 -1.659 -13.506 3.018 1.00 0.00 C ATOM 864 CG LYS A 57 -0.822 -13.522 1.751 1.00 0.00 C ATOM 865 CD LYS A 57 0.665 -13.552 2.065 1.00 0.00 C ATOM 866 CE LYS A 57 1.092 -14.906 2.611 1.00 0.00 C ATOM 867 NZ LYS A 57 0.976 -14.968 4.094 1.00 0.00 N ATOM 0 H LYS A 57 -3.310 -11.282 2.511 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.508 -14.213 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.326 -12.685 3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.483 -14.429 3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.086 -14.393 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.051 -12.641 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.233 -13.327 1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.900 -12.775 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.476 -15.688 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.123 -15.107 2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.920 -15.095 4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.558 -14.083 4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.369 -15.769 4.362 1.00 0.00 H new ATOM 881 N GLY A 58 -5.098 -13.940 4.099 1.00 0.00 N ATOM 882 CA GLY A 58 -5.899 -13.975 5.308 1.00 0.00 C ATOM 883 C GLY A 58 -5.758 -12.712 6.134 1.00 0.00 C ATOM 884 O GLY A 58 -4.959 -12.660 7.069 1.00 0.00 O ATOM 0 H GLY A 58 -5.515 -14.409 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.947 -14.116 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.604 -14.834 5.911 1.00 0.00 H new ATOM 888 N ARG A 59 -6.535 -11.691 5.788 1.00 0.00 N ATOM 889 CA ARG A 59 -6.490 -10.421 6.502 1.00 0.00 C ATOM 890 C ARG A 59 -5.097 -9.803 6.428 1.00 0.00 C ATOM 891 O ARG A 59 -4.530 -9.403 7.445 1.00 0.00 O ATOM 892 CB ARG A 59 -6.895 -10.619 7.964 1.00 0.00 C ATOM 893 CG ARG A 59 -8.294 -11.187 8.137 1.00 0.00 C ATOM 894 CD ARG A 59 -8.458 -11.864 9.489 1.00 0.00 C ATOM 895 NE ARG A 59 -7.931 -13.226 9.486 1.00 0.00 N ATOM 896 CZ ARG A 59 -7.683 -13.920 10.591 1.00 0.00 C ATOM 897 NH1 ARG A 59 -7.912 -13.383 11.781 1.00 0.00 N ATOM 898 NH2 ARG A 59 -7.204 -15.155 10.506 1.00 0.00 N ATOM 0 H ARG A 59 -7.203 -11.719 5.018 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.195 -9.740 6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.179 -11.287 8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.834 -9.662 8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.027 -10.387 8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.497 -11.905 7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.945 -11.279 10.252 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.514 -11.884 9.759 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.743 -13.668 8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.280 -12.434 11.850 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.720 -13.919 12.628 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.026 -15.571 9.592 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.014 -15.688 11.355 1.00 0.00 H new ATOM 912 N ILE A 60 -4.551 -9.731 5.219 1.00 0.00 N ATOM 913 CA ILE A 60 -3.225 -9.162 5.013 1.00 0.00 C ATOM 914 C ILE A 60 -3.062 -8.649 3.586 1.00 0.00 C ATOM 915 O ILE A 60 -2.940 -9.432 2.644 1.00 0.00 O ATOM 916 CB ILE A 60 -2.119 -10.193 5.305 1.00 0.00 C ATOM 917 CG1 ILE A 60 -2.265 -10.743 6.725 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.746 -9.566 5.113 1.00 0.00 C ATOM 919 CD1 ILE A 60 -1.217 -11.772 7.086 1.00 0.00 C ATOM 0 H ILE A 60 -5.006 -10.060 4.367 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.128 -8.329 5.709 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.221 -11.021 4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.210 -9.916 7.433 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.253 -11.190 6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.025 -10.307 5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.645 -9.219 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.633 -8.722 5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.383 -12.117 8.106 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.286 -12.617 6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.226 -11.324 7.011 1.00 0.00 H new ATOM 931 N HIS A 61 -3.060 -7.328 3.435 1.00 0.00 N ATOM 932 CA HIS A 61 -2.910 -6.710 2.123 1.00 0.00 C ATOM 933 C HIS A 61 -1.457 -6.317 1.870 1.00 0.00 C ATOM 934 O HIS A 61 -0.982 -5.299 2.373 1.00 0.00 O ATOM 935 CB HIS A 61 -3.810 -5.479 2.010 1.00 0.00 C ATOM 936 CG HIS A 61 -5.272 -5.803 2.016 1.00 0.00 C ATOM 937 ND1 HIS A 61 -6.019 -5.934 0.864 1.00 0.00 N ATOM 938 CD2 HIS A 61 -6.125 -6.026 3.043 1.00 0.00 C ATOM 939 CE1 HIS A 61 -7.269 -6.221 1.182 1.00 0.00 C ATOM 940 NE2 HIS A 61 -7.360 -6.283 2.498 1.00 0.00 N ATOM 0 H HIS A 61 -3.160 -6.666 4.204 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.207 -7.439 1.369 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.593 -4.803 2.837 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.568 -4.946 1.091 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.881 -6.006 4.095 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.078 -6.378 0.484 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -8.209 -6.488 3.024 1.00 0.00 H new ATOM 949 N LYS A 62 -0.757 -7.132 1.089 1.00 0.00 N ATOM 950 CA LYS A 62 0.642 -6.871 0.769 1.00 0.00 C ATOM 951 C LYS A 62 0.779 -6.294 -0.636 1.00 0.00 C ATOM 952 O LYS A 62 0.120 -6.748 -1.573 1.00 0.00 O ATOM 953 CB LYS A 62 1.462 -8.157 0.886 1.00 0.00 C ATOM 954 CG LYS A 62 2.938 -7.968 0.580 1.00 0.00 C ATOM 955 CD LYS A 62 3.777 -9.093 1.162 1.00 0.00 C ATOM 956 CE LYS A 62 3.415 -10.435 0.545 1.00 0.00 C ATOM 957 NZ LYS A 62 4.544 -11.403 0.622 1.00 0.00 N ATOM 0 H LYS A 62 -1.135 -7.979 0.665 1.00 0.00 H new ATOM 0 HA LYS A 62 1.022 -6.140 1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.357 -8.554 1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.051 -8.903 0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.084 -7.925 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.275 -7.014 0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.833 -8.886 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.631 -9.136 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.547 -10.848 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.131 -10.291 -0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.258 -12.305 0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.365 -11.020 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.799 -11.561 1.618 1.00 0.00 H new ATOM 971 N LEU A 63 1.640 -5.292 -0.778 1.00 0.00 N ATOM 972 CA LEU A 63 1.865 -4.653 -2.070 1.00 0.00 C ATOM 973 C LEU A 63 3.350 -4.385 -2.293 1.00 0.00 C ATOM 974 O LEU A 63 4.077 -4.043 -1.361 1.00 0.00 O ATOM 975 CB LEU A 63 1.080 -3.343 -2.158 1.00 0.00 C ATOM 976 CG LEU A 63 0.945 -2.734 -3.554 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.230 -1.770 -3.604 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.233 -2.029 -3.955 1.00 0.00 C ATOM 0 H LEU A 63 2.194 -4.905 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 63 1.516 -5.331 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.080 -3.515 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.560 -2.611 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 63 0.759 -3.539 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.311 -1.346 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.149 -2.303 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.074 -0.968 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.119 -1.602 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.450 -1.234 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.054 -2.746 -3.960 1.00 0.00 H new ATOM 990 N VAL A 64 3.794 -4.542 -3.536 1.00 0.00 N ATOM 991 CA VAL A 64 5.192 -4.314 -3.883 1.00 0.00 C ATOM 992 C VAL A 64 5.331 -3.850 -5.329 1.00 0.00 C ATOM 993 O VAL A 64 4.733 -4.429 -6.237 1.00 0.00 O ATOM 994 CB VAL A 64 6.036 -5.586 -3.680 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.241 -6.822 -4.072 1.00 0.00 C ATOM 996 CG2 VAL A 64 7.329 -5.500 -4.476 1.00 0.00 C ATOM 0 H VAL A 64 3.206 -4.826 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 64 5.560 -3.533 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 64 6.291 -5.667 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.853 -7.711 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.345 -6.890 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.954 -6.752 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.913 -6.407 -4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.097 -5.394 -5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.905 -4.637 -4.143 1.00 0.00 H new ATOM 1006 N ILE A 65 6.123 -2.804 -5.536 1.00 0.00 N ATOM 1007 CA ILE A 65 6.341 -2.264 -6.872 1.00 0.00 C ATOM 1008 C ILE A 65 7.620 -2.820 -7.487 1.00 0.00 C ATOM 1009 O ILE A 65 8.630 -2.984 -6.804 1.00 0.00 O ATOM 1010 CB ILE A 65 6.422 -0.726 -6.851 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.265 -0.144 -6.036 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.407 -0.175 -8.269 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.387 1.345 -5.792 1.00 0.00 C ATOM 0 H ILE A 65 6.625 -2.313 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 65 5.487 -2.567 -7.478 1.00 0.00 H new ATOM 0 HB ILE A 65 7.359 -0.433 -6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.328 -0.343 -6.556 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.212 -0.658 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.465 0.913 -8.237 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.261 -0.568 -8.821 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.485 -0.475 -8.766 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.533 1.689 -5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.307 1.550 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.409 1.870 -6.747 1.00 0.00 H new ATOM 1025 N ALA A 66 7.570 -3.108 -8.784 1.00 0.00 N ATOM 1026 CA ALA A 66 8.726 -3.643 -9.493 1.00 0.00 C ATOM 1027 C ALA A 66 9.858 -2.623 -9.546 1.00 0.00 C ATOM 1028 O ALA A 66 11.012 -2.948 -9.273 1.00 0.00 O ATOM 1029 CB ALA A 66 8.331 -4.070 -10.899 1.00 0.00 C ATOM 0 H ALA A 66 6.741 -2.980 -9.365 1.00 0.00 H new ATOM 0 HA ALA A 66 9.084 -4.516 -8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.204 -4.468 -11.417 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.561 -4.839 -10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.945 -3.210 -11.446 1.00 0.00 H new ATOM 1035 N ASN A 67 9.518 -1.387 -9.899 1.00 0.00 N ATOM 1036 CA ASN A 67 10.507 -0.319 -9.989 1.00 0.00 C ATOM 1037 C ASN A 67 10.101 0.873 -9.128 1.00 0.00 C ATOM 1038 O ASN A 67 9.008 1.418 -9.281 1.00 0.00 O ATOM 1039 CB ASN A 67 10.680 0.123 -11.443 1.00 0.00 C ATOM 1040 CG ASN A 67 11.046 -1.029 -12.358 1.00 0.00 C ATOM 1041 OD1 ASN A 67 10.189 -1.591 -13.040 1.00 0.00 O ATOM 1042 ND2 ASN A 67 12.325 -1.386 -12.378 1.00 0.00 N ATOM 0 H ASN A 67 8.566 -1.101 -10.127 1.00 0.00 H new ATOM 0 HA ASN A 67 11.457 -0.705 -9.618 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.755 0.582 -11.793 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.455 0.887 -11.498 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.631 -2.154 -12.975 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.002 -0.892 -11.796 1.00 0.00 H new ATOM 1049 N ALA A 68 10.988 1.272 -8.223 1.00 0.00 N ATOM 1050 CA ALA A 68 10.723 2.401 -7.339 1.00 0.00 C ATOM 1051 C ALA A 68 11.003 3.725 -8.041 1.00 0.00 C ATOM 1052 O ALA A 68 12.135 4.212 -8.042 1.00 0.00 O ATOM 1053 CB ALA A 68 11.557 2.286 -6.072 1.00 0.00 C ATOM 0 H ALA A 68 11.897 0.830 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 68 9.667 2.379 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.349 3.135 -5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.305 1.361 -5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.615 2.279 -6.332 1.00 0.00 H new ATOM 1059 N LEU A 69 9.967 4.304 -8.638 1.00 0.00 N ATOM 1060 CA LEU A 69 10.102 5.573 -9.345 1.00 0.00 C ATOM 1061 C LEU A 69 9.830 6.748 -8.411 1.00 0.00 C ATOM 1062 O LEU A 69 9.001 6.657 -7.505 1.00 0.00 O ATOM 1063 CB LEU A 69 9.143 5.620 -10.535 1.00 0.00 C ATOM 1064 CG LEU A 69 9.174 4.411 -11.471 1.00 0.00 C ATOM 1065 CD1 LEU A 69 7.864 4.294 -12.235 1.00 0.00 C ATOM 1066 CD2 LEU A 69 10.348 4.512 -12.434 1.00 0.00 C ATOM 0 H LEU A 69 9.024 3.915 -8.647 1.00 0.00 H new ATOM 0 HA LEU A 69 11.127 5.652 -9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.128 5.733 -10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.365 6.513 -11.120 1.00 0.00 H new ATOM 0 HG LEU A 69 9.301 3.512 -10.868 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.904 3.428 -12.896 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.041 4.174 -11.530 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.706 5.195 -12.827 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.354 3.643 -13.092 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.252 5.419 -13.031 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.280 4.546 -11.869 1.00 0.00 H new ATOM 1078 N THR A 70 10.533 7.853 -8.639 1.00 0.00 N ATOM 1079 CA THR A 70 10.367 9.047 -7.819 1.00 0.00 C ATOM 1080 C THR A 70 8.914 9.505 -7.804 1.00 0.00 C ATOM 1081 O THR A 70 8.491 10.225 -6.899 1.00 0.00 O ATOM 1082 CB THR A 70 11.253 10.202 -8.324 1.00 0.00 C ATOM 1083 OG1 THR A 70 12.604 9.753 -8.476 1.00 0.00 O ATOM 1084 CG2 THR A 70 11.209 11.378 -7.360 1.00 0.00 C ATOM 0 H THR A 70 11.223 7.946 -9.385 1.00 0.00 H new ATOM 0 HA THR A 70 10.671 8.781 -6.807 1.00 0.00 H new ATOM 0 HB THR A 70 10.869 10.530 -9.290 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.160 10.493 -8.799 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.842 12.181 -7.737 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.183 11.736 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.570 11.060 -6.382 1.00 0.00 H new ATOM 1092 N GLU A 71 8.154 9.083 -8.810 1.00 0.00 N ATOM 1093 CA GLU A 71 6.747 9.452 -8.910 1.00 0.00 C ATOM 1094 C GLU A 71 5.910 8.688 -7.888 1.00 0.00 C ATOM 1095 O GLU A 71 4.810 9.110 -7.529 1.00 0.00 O ATOM 1096 CB GLU A 71 6.224 9.177 -10.321 1.00 0.00 C ATOM 1097 CG GLU A 71 6.485 7.760 -10.802 1.00 0.00 C ATOM 1098 CD GLU A 71 5.861 7.478 -12.155 1.00 0.00 C ATOM 1099 OE1 GLU A 71 4.671 7.809 -12.338 1.00 0.00 O ATOM 1100 OE2 GLU A 71 6.561 6.926 -13.029 1.00 0.00 O ATOM 0 H GLU A 71 8.489 8.486 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 71 6.662 10.518 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.151 9.368 -10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.688 9.878 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.560 7.593 -10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.092 7.054 -10.071 1.00 0.00 H new ATOM 1107 N ASP A 72 6.438 7.561 -7.423 1.00 0.00 N ATOM 1108 CA ASP A 72 5.741 6.738 -6.442 1.00 0.00 C ATOM 1109 C ASP A 72 5.942 7.285 -5.032 1.00 0.00 C ATOM 1110 O ASP A 72 5.155 7.002 -4.129 1.00 0.00 O ATOM 1111 CB ASP A 72 6.234 5.292 -6.517 1.00 0.00 C ATOM 1112 CG ASP A 72 5.473 4.472 -7.540 1.00 0.00 C ATOM 1113 OD1 ASP A 72 4.234 4.373 -7.418 1.00 0.00 O ATOM 1114 OD2 ASP A 72 6.116 3.931 -8.463 1.00 0.00 O ATOM 0 H ASP A 72 7.347 7.197 -7.710 1.00 0.00 H new ATOM 0 HA ASP A 72 4.676 6.764 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.295 5.286 -6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.135 4.826 -5.536 1.00 0.00 H new ATOM 1119 N GLU A 73 7.002 8.067 -4.852 1.00 0.00 N ATOM 1120 CA GLU A 73 7.306 8.651 -3.551 1.00 0.00 C ATOM 1121 C GLU A 73 6.266 9.700 -3.168 1.00 0.00 C ATOM 1122 O GLU A 73 5.747 10.417 -4.023 1.00 0.00 O ATOM 1123 CB GLU A 73 8.701 9.282 -3.564 1.00 0.00 C ATOM 1124 CG GLU A 73 9.051 10.012 -2.279 1.00 0.00 C ATOM 1125 CD GLU A 73 10.110 11.077 -2.483 1.00 0.00 C ATOM 1126 OE1 GLU A 73 10.089 11.742 -3.540 1.00 0.00 O ATOM 1127 OE2 GLU A 73 10.961 11.246 -1.584 1.00 0.00 O ATOM 0 H GLU A 73 7.663 8.310 -5.589 1.00 0.00 H new ATOM 0 HA GLU A 73 7.282 7.853 -2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.442 8.502 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.767 9.981 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.151 10.473 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.403 9.292 -1.541 1.00 0.00 H new ATOM 1134 N GLY A 74 5.965 9.782 -1.876 1.00 0.00 N ATOM 1135 CA GLY A 74 4.987 10.745 -1.402 1.00 0.00 C ATOM 1136 C GLY A 74 4.263 10.270 -0.157 1.00 0.00 C ATOM 1137 O GLY A 74 4.742 10.466 0.960 1.00 0.00 O ATOM 0 H GLY A 74 6.380 9.199 -1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.486 11.691 -1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.260 10.938 -2.191 1.00 0.00 H new ATOM 1141 N ASP A 75 3.106 9.648 -0.349 1.00 0.00 N ATOM 1142 CA ASP A 75 2.314 9.145 0.767 1.00 0.00 C ATOM 1143 C ASP A 75 1.378 8.030 0.311 1.00 0.00 C ATOM 1144 O ASP A 75 0.616 8.196 -0.642 1.00 0.00 O ATOM 1145 CB ASP A 75 1.506 10.279 1.399 1.00 0.00 C ATOM 1146 CG ASP A 75 0.169 10.489 0.714 1.00 0.00 C ATOM 1147 OD1 ASP A 75 -0.744 9.665 0.929 1.00 0.00 O ATOM 1148 OD2 ASP A 75 0.037 11.479 -0.036 1.00 0.00 O ATOM 0 H ASP A 75 2.695 9.480 -1.267 1.00 0.00 H new ATOM 0 HA ASP A 75 2.999 8.738 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.340 10.059 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.084 11.202 1.353 1.00 0.00 H new ATOM 1153 N TYR A 76 1.441 6.894 0.996 1.00 0.00 N ATOM 1154 CA TYR A 76 0.602 5.750 0.659 1.00 0.00 C ATOM 1155 C TYR A 76 -0.569 5.629 1.629 1.00 0.00 C ATOM 1156 O TYR A 76 -0.417 5.834 2.834 1.00 0.00 O ATOM 1157 CB TYR A 76 1.428 4.462 0.677 1.00 0.00 C ATOM 1158 CG TYR A 76 2.322 4.300 -0.531 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.408 5.144 -0.734 1.00 0.00 C ATOM 1160 CD2 TYR A 76 2.082 3.305 -1.470 1.00 0.00 C ATOM 1161 CE1 TYR A 76 4.228 5.000 -1.837 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.897 3.153 -2.575 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.969 4.003 -2.754 1.00 0.00 C ATOM 1164 OH TYR A 76 4.782 3.856 -3.854 1.00 0.00 O ATOM 0 H TYR A 76 2.065 6.741 1.788 1.00 0.00 H new ATOM 0 HA TYR A 76 0.205 5.906 -0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.042 4.446 1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.753 3.608 0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.614 5.925 -0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.243 2.638 -1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.067 5.665 -1.980 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.696 2.373 -3.295 1.00 0.00 H new ATOM 0 HH TYR A 76 4.231 3.805 -4.663 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.740 5.295 1.094 1.00 0.00 N ATOM 1175 CA VAL A 77 -2.938 5.144 1.911 1.00 0.00 C ATOM 1176 C VAL A 77 -3.802 3.991 1.412 1.00 0.00 C ATOM 1177 O VAL A 77 -4.093 3.890 0.220 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.778 6.435 1.918 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.044 6.245 2.740 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -2.958 7.601 2.449 1.00 0.00 C ATOM 0 H VAL A 77 -1.884 5.124 0.099 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.604 4.931 2.926 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.070 6.663 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.624 7.168 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.639 5.439 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.777 5.992 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.567 8.505 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.634 7.384 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.085 7.751 1.814 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.210 3.124 2.332 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.041 1.976 1.986 1.00 0.00 C ATOM 1192 C PHE A 78 -6.394 2.053 2.687 1.00 0.00 C ATOM 1193 O PHE A 78 -6.466 2.251 3.900 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.332 0.674 2.363 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.249 -0.515 2.414 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -6.093 -0.709 3.495 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -5.265 -1.438 1.381 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.939 -1.801 3.545 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.109 -2.532 1.426 1.00 0.00 C ATOM 1200 CZ PHE A 78 -6.945 -2.715 2.509 1.00 0.00 C ATOM 0 H PHE A 78 -3.979 3.194 3.323 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.208 1.992 0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.538 0.480 1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.856 0.797 3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.090 0.001 4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.612 -1.302 0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.594 -1.939 4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.114 -3.244 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.602 -3.571 2.546 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.464 1.897 1.915 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.814 1.947 2.461 1.00 0.00 C ATOM 1212 C ALA A 79 -9.640 0.752 1.995 1.00 0.00 C ATOM 1213 O ALA A 79 -9.663 0.406 0.814 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.496 3.248 2.065 1.00 0.00 C ATOM 0 H ALA A 79 -7.422 1.735 0.909 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.741 1.904 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.504 3.271 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.924 4.091 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.549 3.315 0.978 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.333 0.105 2.943 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.173 -1.061 2.653 1.00 0.00 C ATOM 1222 C PRO A 80 -12.419 -0.694 1.854 1.00 0.00 C ATOM 1223 O PRO A 80 -12.880 0.446 1.895 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.561 -1.574 4.042 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.469 -0.378 4.926 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.352 0.463 4.372 1.00 0.00 C ATOM 0 HA PRO A 80 -10.650 -1.797 2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.568 -1.991 4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.888 -2.365 4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.408 0.176 4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.264 -0.669 5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.540 1.527 4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.401 0.238 4.856 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.958 -1.668 1.128 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.152 -1.447 0.321 1.00 0.00 C ATOM 1236 C ASP A 81 -15.414 -1.591 1.165 1.00 0.00 C ATOM 1237 O ASP A 81 -16.526 -1.622 0.638 1.00 0.00 O ATOM 1238 CB ASP A 81 -14.191 -2.432 -0.849 1.00 0.00 C ATOM 1239 CG ASP A 81 -15.014 -1.915 -2.013 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -14.930 -0.705 -2.308 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -15.742 -2.721 -2.630 1.00 0.00 O ATOM 0 H ASP A 81 -12.587 -2.617 1.082 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.113 -0.430 -0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.174 -2.631 -1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.605 -3.381 -0.508 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.234 -1.681 2.479 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.357 -1.821 3.397 1.00 0.00 C ATOM 1248 C ALA A 82 -16.339 -0.726 4.458 1.00 0.00 C ATOM 1249 O ALA A 82 -17.375 -0.381 5.026 1.00 0.00 O ATOM 1250 CB ALA A 82 -16.336 -3.194 4.051 1.00 0.00 C ATOM 0 H ALA A 82 -14.320 -1.659 2.931 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.278 -1.719 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.180 -3.285 4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.407 -3.964 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.406 -3.319 4.605 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.155 -0.185 4.723 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.001 0.868 5.719 1.00 0.00 C ATOM 1258 C TYR A 83 -14.221 2.049 5.148 1.00 0.00 C ATOM 1259 O TYR A 83 -13.551 1.927 4.123 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.291 0.326 6.960 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.903 -0.948 7.500 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.500 -2.190 7.025 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.883 -0.909 8.483 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -15.056 -3.356 7.514 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.444 -2.070 8.979 1.00 0.00 C ATOM 1266 CZ TYR A 83 -16.027 -3.291 8.491 1.00 0.00 C ATOM 1267 OH TYR A 83 -16.585 -4.450 8.981 1.00 0.00 O ATOM 0 H TYR A 83 -14.288 -0.459 4.261 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.995 1.215 6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.244 0.142 6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.309 1.087 7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.739 -2.245 6.260 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.212 0.045 8.866 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.732 -4.313 7.133 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -17.205 -2.022 9.744 1.00 0.00 H new ATOM 0 HH TYR A 83 -17.252 -4.229 9.664 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.313 3.191 5.821 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.616 4.395 5.382 1.00 0.00 C ATOM 1279 C ASN A 84 -12.254 4.512 6.058 1.00 0.00 C ATOM 1280 O ASN A 84 -11.616 5.564 6.017 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.457 5.636 5.686 1.00 0.00 C ATOM 1282 CG ASN A 84 -14.101 6.809 4.794 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -14.489 6.856 3.626 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -13.358 7.764 5.341 1.00 0.00 N ATOM 0 H ASN A 84 -14.863 3.308 6.672 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.462 4.323 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.513 5.395 5.561 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.316 5.920 6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.086 8.578 4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.059 7.684 6.313 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.812 3.423 6.680 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.525 3.402 7.364 1.00 0.00 C ATOM 1293 C VAL A 85 -9.383 3.685 6.394 1.00 0.00 C ATOM 1294 O VAL A 85 -9.376 3.196 5.264 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.276 2.046 8.051 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -8.993 2.088 8.866 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.462 1.668 8.926 1.00 0.00 C ATOM 0 H VAL A 85 -12.327 2.544 6.724 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.557 4.184 8.122 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.163 1.283 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.834 1.121 9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.152 2.311 8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.072 2.862 9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.270 0.707 9.404 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.608 2.431 9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.359 1.594 8.311 1.00 0.00 H new ATOM 1307 N THR A 86 -8.415 4.479 6.844 1.00 0.00 N ATOM 1308 CA THR A 86 -7.268 4.828 6.016 1.00 0.00 C ATOM 1309 C THR A 86 -5.965 4.688 6.796 1.00 0.00 C ATOM 1310 O THR A 86 -5.765 5.350 7.815 1.00 0.00 O ATOM 1311 CB THR A 86 -7.379 6.268 5.480 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.415 7.196 6.570 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.628 6.432 4.627 1.00 0.00 C ATOM 0 H THR A 86 -8.403 4.892 7.777 1.00 0.00 H new ATOM 0 HA THR A 86 -7.262 4.135 5.175 1.00 0.00 H new ATOM 0 HB THR A 86 -6.505 6.470 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.874 6.851 7.311 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.686 7.457 4.259 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.584 5.745 3.782 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.510 6.212 5.228 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.081 3.824 6.310 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.795 3.598 6.961 1.00 0.00 C ATOM 1323 C LEU A 87 -2.692 4.405 6.284 1.00 0.00 C ATOM 1324 O LEU A 87 -2.207 4.058 5.207 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.443 2.109 6.935 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.190 1.225 7.934 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.686 1.265 7.668 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.673 -0.205 7.870 1.00 0.00 C ATOM 0 H LEU A 87 -5.231 3.268 5.468 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.877 3.928 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.633 1.729 5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.373 2.006 7.118 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.010 1.611 8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.201 0.630 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.046 2.289 7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.886 0.904 6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.216 -0.821 8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.823 -0.601 6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.610 -0.219 8.111 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.284 5.507 6.931 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.231 6.385 6.411 1.00 0.00 C ATOM 1342 C PRO A 88 0.145 5.730 6.456 1.00 0.00 C ATOM 1343 O PRO A 88 0.417 4.895 7.318 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.280 7.592 7.351 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.852 7.061 8.620 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.818 5.981 8.219 1.00 0.00 C ATOM 0 HA PRO A 88 -1.391 6.637 5.363 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.286 8.011 7.509 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.900 8.389 6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.068 6.664 9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.357 7.848 9.180 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.855 5.180 8.958 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.832 6.367 8.116 1.00 0.00 H new ATOM 1354 N ALA A 89 1.009 6.114 5.522 1.00 0.00 N ATOM 1355 CA ALA A 89 2.358 5.566 5.458 1.00 0.00 C ATOM 1356 C ALA A 89 3.307 6.524 4.746 1.00 0.00 C ATOM 1357 O ALA A 89 3.010 7.013 3.655 1.00 0.00 O ATOM 1358 CB ALA A 89 2.346 4.215 4.757 1.00 0.00 C ATOM 0 H ALA A 89 0.799 6.802 4.799 1.00 0.00 H new ATOM 0 HA ALA A 89 2.717 5.431 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.360 3.817 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.707 3.525 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.962 4.334 3.744 1.00 0.00 H new ATOM 1364 N LYS A 90 4.449 6.791 5.370 1.00 0.00 N ATOM 1365 CA LYS A 90 5.443 7.691 4.797 1.00 0.00 C ATOM 1366 C LYS A 90 6.392 6.935 3.871 1.00 0.00 C ATOM 1367 O LYS A 90 6.793 5.809 4.163 1.00 0.00 O ATOM 1368 CB LYS A 90 6.238 8.380 5.908 1.00 0.00 C ATOM 1369 CG LYS A 90 5.534 9.587 6.501 1.00 0.00 C ATOM 1370 CD LYS A 90 6.053 9.908 7.892 1.00 0.00 C ATOM 1371 CE LYS A 90 5.041 10.713 8.693 1.00 0.00 C ATOM 1372 NZ LYS A 90 4.089 9.834 9.426 1.00 0.00 N ATOM 0 H LYS A 90 4.710 6.396 6.274 1.00 0.00 H new ATOM 0 HA LYS A 90 4.918 8.447 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.436 7.660 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.204 8.692 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.678 10.449 5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.462 9.398 6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.281 8.982 8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.985 10.468 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.566 11.352 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.487 11.370 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.416 10.420 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.570 9.242 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.615 9.225 10.085 1.00 0.00 H new ATOM 1386 N VAL A 91 6.747 7.563 2.755 1.00 0.00 N ATOM 1387 CA VAL A 91 7.651 6.951 1.788 1.00 0.00 C ATOM 1388 C VAL A 91 8.745 7.925 1.365 1.00 0.00 C ATOM 1389 O VAL A 91 8.548 9.141 1.378 1.00 0.00 O ATOM 1390 CB VAL A 91 6.893 6.472 0.536 1.00 0.00 C ATOM 1391 CG1 VAL A 91 6.482 5.015 0.685 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.679 7.353 0.279 1.00 0.00 C ATOM 0 H VAL A 91 6.423 8.495 2.498 1.00 0.00 H new ATOM 0 HA VAL A 91 8.105 6.091 2.280 1.00 0.00 H new ATOM 0 HB VAL A 91 7.559 6.551 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.948 4.694 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.371 4.398 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.833 4.907 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.155 7.000 -0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.009 7.308 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.003 8.382 0.125 1.00 0.00 H new ATOM 1402 N HIS A 92 9.899 7.384 0.989 1.00 0.00 N ATOM 1403 CA HIS A 92 11.025 8.205 0.560 1.00 0.00 C ATOM 1404 C HIS A 92 11.854 7.482 -0.497 1.00 0.00 C ATOM 1405 O HIS A 92 12.084 6.276 -0.402 1.00 0.00 O ATOM 1406 CB HIS A 92 11.906 8.565 1.757 1.00 0.00 C ATOM 1407 CG HIS A 92 12.869 9.677 1.479 1.00 0.00 C ATOM 1408 ND1 HIS A 92 12.819 10.895 2.124 1.00 0.00 N ATOM 1409 CD2 HIS A 92 13.913 9.751 0.620 1.00 0.00 C ATOM 1410 CE1 HIS A 92 13.789 11.670 1.673 1.00 0.00 C ATOM 1411 NE2 HIS A 92 14.468 10.999 0.760 1.00 0.00 N ATOM 0 H HIS A 92 10.079 6.380 0.973 1.00 0.00 H new ATOM 0 HA HIS A 92 10.628 9.121 0.121 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.269 8.848 2.595 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.464 7.681 2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.247 8.973 -0.051 1.00 0.00 H new ATOM 0 HE1 HIS A 92 13.992 12.680 1.996 1.00 0.00 H new ATOM 0 HE2 HIS A 92 15.274 11.351 0.243 1.00 0.00 H new ATOM 1420 N VAL A 93 12.298 8.226 -1.505 1.00 0.00 N ATOM 1421 CA VAL A 93 13.101 7.656 -2.580 1.00 0.00 C ATOM 1422 C VAL A 93 14.472 8.319 -2.653 1.00 0.00 C ATOM 1423 O VAL A 93 14.591 9.538 -2.528 1.00 0.00 O ATOM 1424 CB VAL A 93 12.399 7.803 -3.943 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.226 9.272 -4.299 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.180 7.073 -5.025 1.00 0.00 C ATOM 0 H VAL A 93 12.115 9.225 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 93 13.224 6.597 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 93 11.409 7.352 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.728 9.356 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.622 9.763 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.204 9.751 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.670 7.187 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.183 7.494 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.247 6.014 -4.774 1.00 0.00 H new ATOM 1436 N ILE A 94 15.505 7.508 -2.855 1.00 0.00 N ATOM 1437 CA ILE A 94 16.868 8.016 -2.946 1.00 0.00 C ATOM 1438 C ILE A 94 17.170 8.532 -4.349 1.00 0.00 C ATOM 1439 O ILE A 94 16.789 7.915 -5.344 1.00 0.00 O ATOM 1440 CB ILE A 94 17.899 6.933 -2.576 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.417 6.132 -1.365 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.254 7.564 -2.296 1.00 0.00 C ATOM 1443 CD1 ILE A 94 17.526 6.887 -0.059 1.00 0.00 C ATOM 0 H ILE A 94 15.424 6.497 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 94 16.946 8.838 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 94 18.006 6.251 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 94 16.378 5.842 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 94 17.998 5.212 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 94 19.971 6.785 -2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.599 8.094 -3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.164 8.266 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.167 6.258 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.567 7.154 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 94 16.923 7.793 -0.111 1.00 0.00 H new