USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 783 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 48 THR OG1 : rot 59:sc= 0.93 USER MOD Set 1.2: A 53 ASN :FLIP amide:sc= 0.00169 F(o=-1!,f=0.93) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc=-0.00506 X(o=-0.0051,f=-0.015) USER MOD Single : A 22 TYR OH : rot 15:sc= -2.47! USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= -0.0117 (180deg=-0.0782) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -3.68! C(o=-3.7!,f=-10!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 154:sc= 0.921 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 142:sc= 1.08 (180deg=-0.196) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 5:sc= 0.984 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -68:sc= 1.22 USER MOD Single : A 74 THR OG1 : rot -151:sc= 0.309 USER MOD Single : A 77 MET CE :methyl 150:sc= -0.287 (180deg=-2.06!) USER MOD Single : A 78 SER OG : rot -24:sc= 0.157 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 171:sc= -1.87 (180deg=-2.19!) USER MOD Single : A 84 MET CE :methyl -173:sc= -2.37! (180deg=-2.42!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0534 (180deg=-0.371) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0725) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0.212 X(o=0.21,f=-0.1) USER MOD Single : A 101 LYS NZ :NH3+ 171:sc=-0.00129 (180deg=-0.0777) USER MOD Single : A 102 TYR OH : rot 47:sc= -0.255 USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 7 1.547 3.598 14.329 1.00 0.00 N ATOM 84 CA PRO A 7 2.878 3.106 14.033 1.00 0.00 C ATOM 85 C PRO A 7 2.950 2.563 12.615 1.00 0.00 C ATOM 86 O PRO A 7 3.321 1.409 12.393 1.00 0.00 O ATOM 87 CB PRO A 7 3.055 1.979 15.056 1.00 0.00 C ATOM 88 CG PRO A 7 1.670 1.593 15.499 1.00 0.00 C ATOM 89 CD PRO A 7 0.695 2.504 14.793 1.00 0.00 C ATOM 0 HA PRO A 7 3.649 3.874 14.095 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.573 1.129 14.613 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.656 2.312 15.902 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.466 0.551 15.254 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.572 1.692 16.580 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.198 1.999 13.964 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.087 2.858 15.465 1.00 0.00 H new ATOM 97 N GLY A 8 2.581 3.402 11.658 1.00 0.00 N ATOM 98 CA GLY A 8 2.447 2.951 10.295 1.00 0.00 C ATOM 99 C GLY A 8 3.764 2.625 9.636 1.00 0.00 C ATOM 100 O GLY A 8 3.926 1.536 9.082 1.00 0.00 O ATOM 0 H GLY A 8 2.372 4.389 11.805 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.811 2.066 10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.940 3.721 9.714 1.00 0.00 H new ATOM 104 N ALA A 9 4.717 3.548 9.709 1.00 0.00 N ATOM 105 CA ALA A 9 5.933 3.421 8.928 1.00 0.00 C ATOM 106 C ALA A 9 6.965 4.501 9.254 1.00 0.00 C ATOM 107 O ALA A 9 7.781 4.334 10.160 1.00 0.00 O ATOM 108 CB ALA A 9 5.594 3.441 7.446 1.00 0.00 C ATOM 0 H ALA A 9 4.669 4.382 10.295 1.00 0.00 H new ATOM 0 HA ALA A 9 6.389 2.467 9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.509 3.345 6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.927 2.610 7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.102 4.381 7.198 1.00 0.00 H new ATOM 114 N ASP A 10 6.922 5.612 8.518 1.00 0.00 N ATOM 115 CA ASP A 10 7.950 6.646 8.636 1.00 0.00 C ATOM 116 C ASP A 10 7.345 8.047 8.705 1.00 0.00 C ATOM 117 O ASP A 10 7.186 8.606 9.788 1.00 0.00 O ATOM 118 CB ASP A 10 8.933 6.549 7.458 1.00 0.00 C ATOM 119 CG ASP A 10 9.960 7.672 7.432 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.954 7.601 8.187 1.00 0.00 O ATOM 121 OD2 ASP A 10 9.784 8.621 6.639 1.00 0.00 O ATOM 0 H ASP A 10 6.191 5.818 7.838 1.00 0.00 H new ATOM 0 HA ASP A 10 8.485 6.475 9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.453 5.592 7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.371 6.559 6.524 1.00 0.00 H new ATOM 126 N CYS A 11 6.987 8.596 7.549 1.00 0.00 N ATOM 127 CA CYS A 11 6.550 9.988 7.458 1.00 0.00 C ATOM 128 C CYS A 11 5.170 10.196 8.085 1.00 0.00 C ATOM 129 O CYS A 11 5.064 10.517 9.267 1.00 0.00 O ATOM 130 CB CYS A 11 6.554 10.436 6.003 1.00 0.00 C ATOM 131 SG CYS A 11 7.006 12.180 5.786 1.00 0.00 S ATOM 0 H CYS A 11 6.990 8.098 6.659 1.00 0.00 H new ATOM 0 HA CYS A 11 7.253 10.599 8.024 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.252 9.815 5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.565 10.269 5.577 1.00 0.00 H new ATOM 136 N GLU A 12 4.112 10.011 7.301 1.00 0.00 N ATOM 137 CA GLU A 12 2.752 10.150 7.815 1.00 0.00 C ATOM 138 C GLU A 12 1.755 9.511 6.865 1.00 0.00 C ATOM 139 O GLU A 12 1.304 8.405 7.106 1.00 0.00 O ATOM 140 CB GLU A 12 2.391 11.619 8.039 1.00 0.00 C ATOM 141 CG GLU A 12 0.991 11.820 8.595 1.00 0.00 C ATOM 142 CD GLU A 12 0.656 13.277 8.810 1.00 0.00 C ATOM 143 OE1 GLU A 12 1.117 13.844 9.822 1.00 0.00 O ATOM 144 OE2 GLU A 12 -0.067 13.857 7.975 1.00 0.00 O ATOM 0 H GLU A 12 4.169 9.766 6.313 1.00 0.00 H new ATOM 0 HA GLU A 12 2.708 9.636 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.113 12.062 8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.479 12.155 7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.265 11.381 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.899 11.286 9.541 1.00 0.00 H new ATOM 151 N VAL A 13 1.428 10.187 5.771 1.00 0.00 N ATOM 152 CA VAL A 13 0.475 9.636 4.813 1.00 0.00 C ATOM 153 C VAL A 13 0.957 8.276 4.321 1.00 0.00 C ATOM 154 O VAL A 13 0.175 7.335 4.199 1.00 0.00 O ATOM 155 CB VAL A 13 0.242 10.593 3.624 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.814 10.041 2.677 1.00 0.00 C ATOM 157 CG2 VAL A 13 -0.167 11.958 4.141 1.00 0.00 C ATOM 0 H VAL A 13 1.801 11.104 5.526 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.481 9.513 5.323 1.00 0.00 H new ATOM 0 HB VAL A 13 1.173 10.687 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.958 10.735 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.487 9.076 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.754 9.916 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.331 12.632 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.087 11.868 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.623 12.358 4.777 1.00 0.00 H new ATOM 167 N CYS A 14 2.261 8.174 4.085 1.00 0.00 N ATOM 168 CA CYS A 14 2.883 6.906 3.728 1.00 0.00 C ATOM 169 C CYS A 14 2.676 5.863 4.827 1.00 0.00 C ATOM 170 O CYS A 14 2.382 4.706 4.543 1.00 0.00 O ATOM 171 CB CYS A 14 4.383 7.102 3.472 1.00 0.00 C ATOM 172 SG CYS A 14 5.306 5.554 3.184 1.00 0.00 S ATOM 0 H CYS A 14 2.910 8.960 4.135 1.00 0.00 H new ATOM 0 HA CYS A 14 2.408 6.544 2.816 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.510 7.753 2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.821 7.618 4.326 1.00 0.00 H new ATOM 177 N LYS A 15 2.793 6.283 6.086 1.00 0.00 N ATOM 178 CA LYS A 15 2.731 5.339 7.192 1.00 0.00 C ATOM 179 C LYS A 15 1.292 4.903 7.446 1.00 0.00 C ATOM 180 O LYS A 15 1.022 3.722 7.659 1.00 0.00 O ATOM 181 CB LYS A 15 3.342 5.929 8.484 1.00 0.00 C ATOM 182 CG LYS A 15 2.424 6.870 9.254 1.00 0.00 C ATOM 183 CD LYS A 15 2.873 7.084 10.691 1.00 0.00 C ATOM 184 CE LYS A 15 4.218 7.777 10.774 1.00 0.00 C ATOM 185 NZ LYS A 15 4.518 8.228 12.158 1.00 0.00 N ATOM 0 H LYS A 15 2.929 7.256 6.359 1.00 0.00 H new ATOM 0 HA LYS A 15 3.323 4.469 6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.630 5.108 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.255 6.466 8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.385 7.832 8.743 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.411 6.466 9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.127 7.679 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.930 6.121 11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.000 7.097 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.228 8.635 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.446 8.698 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.785 8.896 12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.533 7.406 12.795 1.00 0.00 H new ATOM 199 N GLU A 16 0.378 5.864 7.401 1.00 0.00 N ATOM 200 CA GLU A 16 -1.019 5.609 7.695 1.00 0.00 C ATOM 201 C GLU A 16 -1.611 4.690 6.644 1.00 0.00 C ATOM 202 O GLU A 16 -2.369 3.775 6.962 1.00 0.00 O ATOM 203 CB GLU A 16 -1.795 6.925 7.748 1.00 0.00 C ATOM 204 CG GLU A 16 -1.187 7.962 8.682 1.00 0.00 C ATOM 205 CD GLU A 16 -1.263 7.578 10.145 1.00 0.00 C ATOM 206 OE1 GLU A 16 -0.781 6.493 10.517 1.00 0.00 O ATOM 207 OE2 GLU A 16 -1.813 8.379 10.931 1.00 0.00 O ATOM 0 H GLU A 16 0.586 6.833 7.161 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.093 5.123 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.850 7.344 6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.818 6.720 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.143 8.117 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.699 8.913 8.538 1.00 0.00 H new ATOM 214 N PHE A 17 -1.244 4.930 5.392 1.00 0.00 N ATOM 215 CA PHE A 17 -1.696 4.086 4.305 1.00 0.00 C ATOM 216 C PHE A 17 -1.195 2.661 4.489 1.00 0.00 C ATOM 217 O PHE A 17 -1.991 1.727 4.516 1.00 0.00 O ATOM 218 CB PHE A 17 -1.236 4.628 2.951 1.00 0.00 C ATOM 219 CG PHE A 17 -1.646 3.745 1.808 1.00 0.00 C ATOM 220 CD1 PHE A 17 -2.958 3.729 1.367 1.00 0.00 C ATOM 221 CD2 PHE A 17 -0.726 2.909 1.194 1.00 0.00 C ATOM 222 CE1 PHE A 17 -3.345 2.902 0.332 1.00 0.00 C ATOM 223 CE2 PHE A 17 -1.108 2.076 0.162 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.419 2.074 -0.268 1.00 0.00 C ATOM 0 H PHE A 17 -0.637 5.700 5.109 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.786 4.085 4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.651 5.625 2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.151 4.732 2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.687 4.371 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.301 2.910 1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.370 2.903 -0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.383 1.428 -0.308 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.721 1.423 -1.075 1.00 0.00 H new ATOM 234 N LEU A 18 0.121 2.498 4.640 1.00 0.00 N ATOM 235 CA LEU A 18 0.709 1.175 4.762 1.00 0.00 C ATOM 236 C LEU A 18 0.111 0.427 5.938 1.00 0.00 C ATOM 237 O LEU A 18 -0.389 -0.675 5.770 1.00 0.00 O ATOM 238 CB LEU A 18 2.233 1.259 4.919 1.00 0.00 C ATOM 239 CG LEU A 18 3.003 1.765 3.696 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.459 2.007 4.056 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.910 0.769 2.551 1.00 0.00 C ATOM 0 H LEU A 18 0.792 3.265 4.680 1.00 0.00 H new ATOM 0 HA LEU A 18 0.485 0.630 3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.457 1.913 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.608 0.268 5.176 1.00 0.00 H new ATOM 0 HG LEU A 18 2.554 2.705 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.996 2.366 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.519 2.753 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.908 1.075 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.464 1.149 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.334 -0.185 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.865 0.628 2.275 1.00 0.00 H new ATOM 253 N ASN A 19 0.127 1.045 7.113 1.00 0.00 N ATOM 254 CA ASN A 19 -0.346 0.386 8.327 1.00 0.00 C ATOM 255 C ASN A 19 -1.809 -0.017 8.206 1.00 0.00 C ATOM 256 O ASN A 19 -2.163 -1.174 8.440 1.00 0.00 O ATOM 257 CB ASN A 19 -0.171 1.295 9.540 1.00 0.00 C ATOM 258 CG ASN A 19 -0.462 0.578 10.847 1.00 0.00 C ATOM 259 OD1 ASN A 19 -1.592 0.592 11.339 1.00 0.00 O ATOM 260 ND2 ASN A 19 0.559 -0.047 11.416 1.00 0.00 N ATOM 0 H ASN A 19 0.461 1.999 7.252 1.00 0.00 H new ATOM 0 HA ASN A 19 0.255 -0.514 8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.849 1.679 9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.834 2.155 9.445 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.426 -0.543 12.297 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.477 -0.032 10.972 1.00 0.00 H new ATOM 267 N ARG A 20 -2.657 0.929 7.819 1.00 0.00 N ATOM 268 CA ARG A 20 -4.089 0.675 7.758 1.00 0.00 C ATOM 269 C ARG A 20 -4.424 -0.324 6.664 1.00 0.00 C ATOM 270 O ARG A 20 -5.263 -1.194 6.863 1.00 0.00 O ATOM 271 CB ARG A 20 -4.878 1.975 7.564 1.00 0.00 C ATOM 272 CG ARG A 20 -4.717 2.953 8.720 1.00 0.00 C ATOM 273 CD ARG A 20 -5.625 4.168 8.583 1.00 0.00 C ATOM 274 NE ARG A 20 -5.322 4.979 7.404 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.168 6.304 7.436 1.00 0.00 C ATOM 276 NH1 ARG A 20 -5.243 6.960 8.592 1.00 0.00 N ATOM 277 NH2 ARG A 20 -4.945 6.976 6.317 1.00 0.00 N ATOM 0 H ARG A 20 -2.379 1.871 7.545 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.384 0.242 8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.552 2.456 6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.935 1.736 7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.937 2.442 9.658 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.679 3.282 8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.662 3.836 8.532 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.532 4.786 9.476 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.223 4.505 6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.419 6.450 9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.125 7.973 8.612 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.891 6.481 5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.828 7.989 6.345 1.00 0.00 H new ATOM 291 N PHE A 21 -3.747 -0.216 5.528 1.00 0.00 N ATOM 292 CA PHE A 21 -3.941 -1.157 4.432 1.00 0.00 C ATOM 293 C PHE A 21 -3.506 -2.542 4.866 1.00 0.00 C ATOM 294 O PHE A 21 -4.163 -3.550 4.595 1.00 0.00 O ATOM 295 CB PHE A 21 -3.102 -0.728 3.231 1.00 0.00 C ATOM 296 CG PHE A 21 -3.297 -1.583 2.015 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.476 -1.527 1.294 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.299 -2.450 1.598 1.00 0.00 C ATOM 299 CE1 PHE A 21 -4.659 -2.319 0.179 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.476 -3.243 0.483 1.00 0.00 C ATOM 301 CZ PHE A 21 -3.658 -3.177 -0.227 1.00 0.00 C ATOM 0 H PHE A 21 -3.059 0.513 5.341 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.996 -1.171 4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.346 0.304 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.049 -0.747 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.262 -0.856 1.607 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.373 -2.505 2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.585 -2.267 -0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.691 -3.914 0.166 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.799 -3.797 -1.100 1.00 0.00 H new ATOM 311 N TYR A 22 -2.393 -2.554 5.565 1.00 0.00 N ATOM 312 CA TYR A 22 -1.722 -3.768 5.957 1.00 0.00 C ATOM 313 C TYR A 22 -2.567 -4.594 6.919 1.00 0.00 C ATOM 314 O TYR A 22 -2.880 -5.754 6.639 1.00 0.00 O ATOM 315 CB TYR A 22 -0.380 -3.389 6.576 1.00 0.00 C ATOM 316 CG TYR A 22 0.533 -4.546 6.863 1.00 0.00 C ATOM 317 CD1 TYR A 22 0.733 -5.538 5.914 1.00 0.00 C ATOM 318 CD2 TYR A 22 1.221 -4.630 8.063 1.00 0.00 C ATOM 319 CE1 TYR A 22 1.593 -6.585 6.155 1.00 0.00 C ATOM 320 CE2 TYR A 22 2.080 -5.678 8.313 1.00 0.00 C ATOM 321 CZ TYR A 22 2.260 -6.648 7.355 1.00 0.00 C ATOM 322 OH TYR A 22 3.123 -7.679 7.589 1.00 0.00 O ATOM 0 H TYR A 22 -1.923 -1.706 5.881 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.561 -4.396 5.081 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.131 -2.699 5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.564 -2.851 7.506 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.206 -5.488 4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.082 -3.864 8.812 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.742 -7.350 5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.608 -5.737 9.254 1.00 0.00 H new ATOM 0 HH TYR A 22 3.329 -8.131 6.744 1.00 0.00 H new ATOM 332 N LYS A 23 -2.978 -3.996 8.026 1.00 0.00 N ATOM 333 CA LYS A 23 -3.729 -4.735 9.025 1.00 0.00 C ATOM 334 C LYS A 23 -5.171 -4.942 8.581 1.00 0.00 C ATOM 335 O LYS A 23 -5.862 -5.826 9.086 1.00 0.00 O ATOM 336 CB LYS A 23 -3.639 -4.051 10.394 1.00 0.00 C ATOM 337 CG LYS A 23 -4.043 -2.582 10.434 1.00 0.00 C ATOM 338 CD LYS A 23 -5.550 -2.387 10.456 1.00 0.00 C ATOM 339 CE LYS A 23 -6.212 -3.134 11.611 1.00 0.00 C ATOM 340 NZ LYS A 23 -5.599 -2.813 12.930 1.00 0.00 N ATOM 0 H LYS A 23 -2.807 -3.016 8.253 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.282 -5.723 9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.269 -4.600 11.094 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.613 -4.135 10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.608 -2.114 11.317 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.628 -2.072 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.776 -1.324 10.537 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.973 -2.732 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.273 -2.886 11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.140 -4.207 11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.168 -3.238 13.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.633 -3.195 12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.568 -1.781 13.056 1.00 0.00 H new ATOM 354 N SER A 24 -5.614 -4.129 7.630 1.00 0.00 N ATOM 355 CA SER A 24 -6.930 -4.306 7.032 1.00 0.00 C ATOM 356 C SER A 24 -6.987 -5.630 6.279 1.00 0.00 C ATOM 357 O SER A 24 -7.835 -6.470 6.556 1.00 0.00 O ATOM 358 CB SER A 24 -7.255 -3.150 6.081 1.00 0.00 C ATOM 359 OG SER A 24 -8.556 -3.278 5.538 1.00 0.00 O ATOM 0 H SER A 24 -5.082 -3.342 7.257 1.00 0.00 H new ATOM 0 HA SER A 24 -7.672 -4.315 7.831 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.174 -2.203 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.523 -3.124 5.274 1.00 0.00 H new ATOM 0 HG SER A 24 -8.735 -2.525 4.937 1.00 0.00 H new ATOM 365 N LEU A 25 -6.055 -5.820 5.350 1.00 0.00 N ATOM 366 CA LEU A 25 -5.999 -7.040 4.548 1.00 0.00 C ATOM 367 C LEU A 25 -5.822 -8.274 5.421 1.00 0.00 C ATOM 368 O LEU A 25 -6.444 -9.308 5.177 1.00 0.00 O ATOM 369 CB LEU A 25 -4.871 -6.944 3.525 1.00 0.00 C ATOM 370 CG LEU A 25 -5.326 -6.563 2.116 1.00 0.00 C ATOM 371 CD1 LEU A 25 -6.304 -5.395 2.162 1.00 0.00 C ATOM 372 CD2 LEU A 25 -4.125 -6.229 1.248 1.00 0.00 C ATOM 0 H LEU A 25 -5.325 -5.142 5.133 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.949 -7.141 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.145 -6.208 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.355 -7.903 3.480 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.843 -7.416 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.615 -5.141 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.178 -5.675 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.820 -4.533 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.463 -5.959 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.582 -5.391 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.467 -7.096 1.187 1.00 0.00 H new ATOM 384 N ILE A 26 -4.987 -8.159 6.443 1.00 0.00 N ATOM 385 CA ILE A 26 -4.767 -9.261 7.366 1.00 0.00 C ATOM 386 C ILE A 26 -6.054 -9.589 8.126 1.00 0.00 C ATOM 387 O ILE A 26 -6.420 -10.755 8.278 1.00 0.00 O ATOM 388 CB ILE A 26 -3.639 -8.941 8.374 1.00 0.00 C ATOM 389 CG1 ILE A 26 -2.330 -8.619 7.641 1.00 0.00 C ATOM 390 CG2 ILE A 26 -3.430 -10.099 9.342 1.00 0.00 C ATOM 391 CD1 ILE A 26 -1.833 -9.735 6.746 1.00 0.00 C ATOM 0 H ILE A 26 -4.452 -7.316 6.653 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.464 -10.125 6.774 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.941 -8.064 8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.474 -7.722 7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.561 -8.388 8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.632 -9.850 10.041 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.352 -10.282 9.894 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.157 -10.995 8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.904 -9.429 6.265 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.654 -10.629 7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.582 -9.952 5.984 1.00 0.00 H new ATOM 403 N ASP A 27 -6.753 -8.551 8.574 1.00 0.00 N ATOM 404 CA ASP A 27 -7.974 -8.731 9.355 1.00 0.00 C ATOM 405 C ASP A 27 -9.141 -9.168 8.474 1.00 0.00 C ATOM 406 O ASP A 27 -9.891 -10.076 8.836 1.00 0.00 O ATOM 407 CB ASP A 27 -8.334 -7.445 10.096 1.00 0.00 C ATOM 408 CG ASP A 27 -9.559 -7.606 10.971 1.00 0.00 C ATOM 409 OD1 ASP A 27 -9.455 -8.254 12.033 1.00 0.00 O ATOM 410 OD2 ASP A 27 -10.629 -7.078 10.609 1.00 0.00 O ATOM 0 H ASP A 27 -6.496 -7.577 8.411 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.783 -9.519 10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.489 -7.135 10.712 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.510 -6.649 9.372 1.00 0.00 H new ATOM 415 N ARG A 28 -9.285 -8.535 7.310 1.00 0.00 N ATOM 416 CA ARG A 28 -10.357 -8.879 6.376 1.00 0.00 C ATOM 417 C ARG A 28 -10.145 -10.270 5.789 1.00 0.00 C ATOM 418 O ARG A 28 -11.053 -10.852 5.196 1.00 0.00 O ATOM 419 CB ARG A 28 -10.483 -7.857 5.239 1.00 0.00 C ATOM 420 CG ARG A 28 -10.869 -6.461 5.698 1.00 0.00 C ATOM 421 CD ARG A 28 -11.692 -5.722 4.648 1.00 0.00 C ATOM 422 NE ARG A 28 -10.970 -5.479 3.396 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.791 -4.267 2.866 1.00 0.00 C ATOM 424 NH1 ARG A 28 -11.189 -3.183 3.528 1.00 0.00 N ATOM 425 NH2 ARG A 28 -10.223 -4.137 1.671 1.00 0.00 N ATOM 0 H ARG A 28 -8.674 -7.783 6.992 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.284 -8.866 6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.533 -7.803 4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.228 -8.212 4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.440 -6.529 6.624 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.967 -5.890 5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.591 -6.299 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.017 -4.767 5.061 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.582 -6.282 2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.632 -3.278 4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.051 -2.258 3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.923 -4.965 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.088 -3.209 1.269 1.00 0.00 H new ATOM 439 N GLY A 29 -8.937 -10.796 5.963 1.00 0.00 N ATOM 440 CA GLY A 29 -8.601 -12.098 5.421 1.00 0.00 C ATOM 441 C GLY A 29 -8.433 -12.033 3.924 1.00 0.00 C ATOM 442 O GLY A 29 -8.651 -13.011 3.210 1.00 0.00 O ATOM 0 H GLY A 29 -8.181 -10.340 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.680 -12.460 5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.384 -12.813 5.672 1.00 0.00 H new ATOM 446 N VAL A 30 -8.035 -10.866 3.465 1.00 0.00 N ATOM 447 CA VAL A 30 -7.905 -10.577 2.060 1.00 0.00 C ATOM 448 C VAL A 30 -6.419 -10.396 1.715 1.00 0.00 C ATOM 449 O VAL A 30 -5.987 -9.402 1.133 1.00 0.00 O ATOM 450 CB VAL A 30 -8.758 -9.325 1.727 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.426 -8.178 2.660 1.00 0.00 C ATOM 452 CG2 VAL A 30 -8.595 -8.884 0.296 1.00 0.00 C ATOM 0 H VAL A 30 -7.790 -10.082 4.070 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.277 -11.400 1.450 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.800 -9.613 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.038 -7.313 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.629 -8.475 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.372 -7.920 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.212 -8.004 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.550 -8.639 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.905 -9.689 -0.370 1.00 0.00 H new ATOM 462 N ASN A 31 -5.623 -11.375 2.111 1.00 0.00 N ATOM 463 CA ASN A 31 -4.189 -11.307 1.905 1.00 0.00 C ATOM 464 C ASN A 31 -3.626 -12.704 1.612 1.00 0.00 C ATOM 465 O ASN A 31 -4.389 -13.631 1.333 1.00 0.00 O ATOM 466 CB ASN A 31 -3.533 -10.675 3.140 1.00 0.00 C ATOM 467 CG ASN A 31 -2.120 -10.195 2.876 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.159 -10.916 3.125 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.984 -8.993 2.336 1.00 0.00 N ATOM 0 H ASN A 31 -5.946 -12.224 2.576 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.967 -10.683 1.040 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.140 -9.835 3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.518 -11.404 3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.055 -8.637 2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.808 -8.424 2.144 1.00 0.00 H new ATOM 476 N PHE A 32 -2.295 -12.837 1.660 1.00 0.00 N ATOM 477 CA PHE A 32 -1.589 -14.072 1.298 1.00 0.00 C ATOM 478 C PHE A 32 -1.690 -14.345 -0.202 1.00 0.00 C ATOM 479 O PHE A 32 -1.217 -15.371 -0.696 1.00 0.00 O ATOM 480 CB PHE A 32 -2.099 -15.272 2.104 1.00 0.00 C ATOM 481 CG PHE A 32 -1.770 -15.202 3.570 1.00 0.00 C ATOM 482 CD1 PHE A 32 -0.553 -15.666 4.041 1.00 0.00 C ATOM 483 CD2 PHE A 32 -2.678 -14.677 4.475 1.00 0.00 C ATOM 484 CE1 PHE A 32 -0.247 -15.606 5.386 1.00 0.00 C ATOM 485 CE2 PHE A 32 -2.377 -14.613 5.822 1.00 0.00 C ATOM 486 CZ PHE A 32 -1.159 -15.079 6.278 1.00 0.00 C ATOM 0 H PHE A 32 -1.673 -12.084 1.954 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.538 -13.928 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.180 -15.344 1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.672 -16.185 1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.165 -16.080 3.348 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.632 -14.313 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.706 -15.971 5.740 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.093 -14.199 6.517 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.921 -15.031 7.330 1.00 0.00 H new ATOM 496 N SER A 33 -2.292 -13.406 -0.917 1.00 0.00 N ATOM 497 CA SER A 33 -2.418 -13.487 -2.360 1.00 0.00 C ATOM 498 C SER A 33 -1.913 -12.191 -2.982 1.00 0.00 C ATOM 499 O SER A 33 -2.564 -11.149 -2.886 1.00 0.00 O ATOM 500 CB SER A 33 -3.880 -13.732 -2.745 1.00 0.00 C ATOM 501 OG SER A 33 -4.418 -14.838 -2.036 1.00 0.00 O ATOM 0 H SER A 33 -2.706 -12.567 -0.511 1.00 0.00 H new ATOM 0 HA SER A 33 -1.820 -14.319 -2.733 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.469 -12.840 -2.534 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.951 -13.914 -3.817 1.00 0.00 H new ATOM 0 HG SER A 33 -5.353 -14.972 -2.299 1.00 0.00 H new ATOM 507 N LEU A 34 -0.746 -12.265 -3.610 1.00 0.00 N ATOM 508 CA LEU A 34 -0.058 -11.089 -4.135 1.00 0.00 C ATOM 509 C LEU A 34 -0.899 -10.347 -5.168 1.00 0.00 C ATOM 510 O LEU A 34 -0.895 -9.115 -5.218 1.00 0.00 O ATOM 511 CB LEU A 34 1.281 -11.505 -4.746 1.00 0.00 C ATOM 512 CG LEU A 34 2.243 -12.186 -3.771 1.00 0.00 C ATOM 513 CD1 LEU A 34 3.496 -12.657 -4.488 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.605 -11.240 -2.638 1.00 0.00 C ATOM 0 H LEU A 34 -0.249 -13.141 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 34 0.113 -10.405 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.090 -12.181 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.768 -10.621 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 34 1.742 -13.059 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.165 -13.138 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.224 -13.369 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.000 -11.802 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.290 -11.739 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.084 -10.350 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.701 -10.952 -2.102 1.00 0.00 H new ATOM 526 N ASP A 35 -1.626 -11.095 -5.987 1.00 0.00 N ATOM 527 CA ASP A 35 -2.483 -10.502 -7.011 1.00 0.00 C ATOM 528 C ASP A 35 -3.658 -9.779 -6.369 1.00 0.00 C ATOM 529 O ASP A 35 -4.133 -8.760 -6.872 1.00 0.00 O ATOM 530 CB ASP A 35 -2.996 -11.572 -7.981 1.00 0.00 C ATOM 531 CG ASP A 35 -1.897 -12.144 -8.854 1.00 0.00 C ATOM 532 OD1 ASP A 35 -1.504 -11.472 -9.832 1.00 0.00 O ATOM 533 OD2 ASP A 35 -1.416 -13.264 -8.564 1.00 0.00 O ATOM 0 H ASP A 35 -1.641 -12.115 -5.964 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.887 -9.782 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.461 -12.378 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.771 -11.141 -8.615 1.00 0.00 H new ATOM 538 N THR A 36 -4.109 -10.307 -5.242 1.00 0.00 N ATOM 539 CA THR A 36 -5.206 -9.713 -4.498 1.00 0.00 C ATOM 540 C THR A 36 -4.763 -8.442 -3.796 1.00 0.00 C ATOM 541 O THR A 36 -5.473 -7.440 -3.808 1.00 0.00 O ATOM 542 CB THR A 36 -5.770 -10.718 -3.472 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.364 -11.826 -4.160 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.787 -10.067 -2.547 1.00 0.00 C ATOM 0 H THR A 36 -3.727 -11.154 -4.820 1.00 0.00 H new ATOM 0 HA THR A 36 -5.992 -9.456 -5.208 1.00 0.00 H new ATOM 0 HB THR A 36 -4.944 -11.070 -2.854 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.720 -12.464 -3.507 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.161 -10.807 -1.839 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.313 -9.251 -2.002 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.617 -9.676 -3.136 1.00 0.00 H new ATOM 552 N ILE A 37 -3.577 -8.477 -3.209 1.00 0.00 N ATOM 553 CA ILE A 37 -3.018 -7.300 -2.565 1.00 0.00 C ATOM 554 C ILE A 37 -2.884 -6.175 -3.586 1.00 0.00 C ATOM 555 O ILE A 37 -3.049 -5.002 -3.266 1.00 0.00 O ATOM 556 CB ILE A 37 -1.641 -7.602 -1.936 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.739 -8.823 -1.018 1.00 0.00 C ATOM 558 CG2 ILE A 37 -1.134 -6.396 -1.156 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.402 -9.327 -0.527 1.00 0.00 C ATOM 0 H ILE A 37 -2.984 -9.306 -3.165 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.693 -6.996 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.933 -7.818 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.359 -8.570 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.246 -9.627 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.162 -6.627 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.036 -5.543 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.840 -6.153 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.554 -10.193 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.214 -9.613 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.099 -8.540 0.036 1.00 0.00 H new ATOM 571 N GLU A 38 -2.611 -6.559 -4.829 1.00 0.00 N ATOM 572 CA GLU A 38 -2.505 -5.607 -5.920 1.00 0.00 C ATOM 573 C GLU A 38 -3.864 -4.990 -6.243 1.00 0.00 C ATOM 574 O GLU A 38 -3.983 -3.775 -6.420 1.00 0.00 O ATOM 575 CB GLU A 38 -1.917 -6.291 -7.158 1.00 0.00 C ATOM 576 CG GLU A 38 -1.828 -5.391 -8.381 1.00 0.00 C ATOM 577 CD GLU A 38 -1.190 -6.086 -9.566 1.00 0.00 C ATOM 578 OE1 GLU A 38 -1.749 -7.098 -10.039 1.00 0.00 O ATOM 579 OE2 GLU A 38 -0.130 -5.624 -10.035 1.00 0.00 O ATOM 0 H GLU A 38 -2.459 -7.530 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.838 -4.802 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.920 -6.659 -6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.527 -7.161 -7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.828 -5.056 -8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.251 -4.501 -8.132 1.00 0.00 H new ATOM 586 N LYS A 39 -4.888 -5.828 -6.293 1.00 0.00 N ATOM 587 CA LYS A 39 -6.231 -5.378 -6.616 1.00 0.00 C ATOM 588 C LYS A 39 -6.805 -4.535 -5.480 1.00 0.00 C ATOM 589 O LYS A 39 -7.466 -3.526 -5.713 1.00 0.00 O ATOM 590 CB LYS A 39 -7.131 -6.582 -6.909 1.00 0.00 C ATOM 591 CG LYS A 39 -8.578 -6.215 -7.193 1.00 0.00 C ATOM 592 CD LYS A 39 -8.685 -5.179 -8.299 1.00 0.00 C ATOM 593 CE LYS A 39 -10.121 -4.735 -8.497 1.00 0.00 C ATOM 594 NZ LYS A 39 -10.212 -3.538 -9.372 1.00 0.00 N ATOM 0 H LYS A 39 -4.812 -6.829 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.186 -4.753 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.729 -7.124 -7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.099 -7.262 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.132 -7.110 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.041 -5.828 -6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.065 -4.316 -8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.299 -5.595 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.697 -5.550 -8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.570 -4.513 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.209 -3.265 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.684 -2.752 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.807 -3.758 -10.304 1.00 0.00 H new ATOM 608 N GLU A 40 -6.528 -4.941 -4.253 1.00 0.00 N ATOM 609 CA GLU A 40 -7.000 -4.212 -3.086 1.00 0.00 C ATOM 610 C GLU A 40 -6.231 -2.915 -2.910 1.00 0.00 C ATOM 611 O GLU A 40 -6.761 -1.951 -2.362 1.00 0.00 O ATOM 612 CB GLU A 40 -6.918 -5.074 -1.830 1.00 0.00 C ATOM 613 CG GLU A 40 -7.986 -6.153 -1.789 1.00 0.00 C ATOM 614 CD GLU A 40 -9.391 -5.578 -1.841 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.845 -5.196 -2.944 1.00 0.00 O ATOM 616 OE2 GLU A 40 -10.048 -5.497 -0.780 1.00 0.00 O ATOM 0 H GLU A 40 -5.978 -5.773 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.048 -3.961 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.934 -5.540 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.016 -4.438 -0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.843 -6.834 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.870 -6.741 -0.878 1.00 0.00 H new ATOM 623 N LEU A 41 -4.983 -2.887 -3.371 1.00 0.00 N ATOM 624 CA LEU A 41 -4.252 -1.632 -3.465 1.00 0.00 C ATOM 625 C LEU A 41 -5.037 -0.673 -4.337 1.00 0.00 C ATOM 626 O LEU A 41 -5.258 0.472 -3.971 1.00 0.00 O ATOM 627 CB LEU A 41 -2.848 -1.840 -4.042 1.00 0.00 C ATOM 628 CG LEU A 41 -1.757 -2.146 -3.015 1.00 0.00 C ATOM 629 CD1 LEU A 41 -0.453 -2.495 -3.711 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.557 -0.957 -2.087 1.00 0.00 C ATOM 0 H LEU A 41 -4.465 -3.709 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.135 -1.220 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.886 -2.658 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.564 -0.944 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.073 -3.004 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.312 -2.710 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.601 -3.372 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.133 -1.655 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.778 -1.189 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.261 -0.085 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.489 -0.744 -1.563 1.00 0.00 H new ATOM 642 N ILE A 42 -5.494 -1.172 -5.477 1.00 0.00 N ATOM 643 CA ILE A 42 -6.331 -0.395 -6.376 1.00 0.00 C ATOM 644 C ILE A 42 -7.567 0.113 -5.637 1.00 0.00 C ATOM 645 O ILE A 42 -7.862 1.314 -5.636 1.00 0.00 O ATOM 646 CB ILE A 42 -6.772 -1.255 -7.576 1.00 0.00 C ATOM 647 CG1 ILE A 42 -5.554 -1.765 -8.344 1.00 0.00 C ATOM 648 CG2 ILE A 42 -7.692 -0.470 -8.493 1.00 0.00 C ATOM 649 CD1 ILE A 42 -5.893 -2.803 -9.389 1.00 0.00 C ATOM 0 H ILE A 42 -5.296 -2.119 -5.801 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.751 0.454 -6.737 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.325 -2.114 -7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.060 -0.922 -8.827 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.841 -2.191 -7.638 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.990 -1.097 -9.333 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.578 -0.159 -7.940 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.169 0.411 -8.866 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.982 -3.121 -9.895 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.360 -3.663 -8.909 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.582 -2.375 -10.117 1.00 0.00 H new ATOM 661 N SER A 43 -8.263 -0.816 -4.988 1.00 0.00 N ATOM 662 CA SER A 43 -9.482 -0.508 -4.254 1.00 0.00 C ATOM 663 C SER A 43 -9.244 0.558 -3.184 1.00 0.00 C ATOM 664 O SER A 43 -9.892 1.606 -3.184 1.00 0.00 O ATOM 665 CB SER A 43 -10.014 -1.782 -3.596 1.00 0.00 C ATOM 666 OG SER A 43 -10.090 -2.849 -4.529 1.00 0.00 O ATOM 0 H SER A 43 -7.997 -1.800 -4.957 1.00 0.00 H new ATOM 0 HA SER A 43 -10.212 -0.115 -4.962 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.364 -2.065 -2.768 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.002 -1.592 -3.176 1.00 0.00 H new ATOM 0 HG SER A 43 -10.027 -3.704 -4.054 1.00 0.00 H new ATOM 672 N PHE A 44 -8.290 0.293 -2.301 1.00 0.00 N ATOM 673 CA PHE A 44 -8.043 1.145 -1.145 1.00 0.00 C ATOM 674 C PHE A 44 -7.494 2.505 -1.572 1.00 0.00 C ATOM 675 O PHE A 44 -7.875 3.534 -1.020 1.00 0.00 O ATOM 676 CB PHE A 44 -7.061 0.448 -0.196 1.00 0.00 C ATOM 677 CG PHE A 44 -7.132 0.924 1.231 1.00 0.00 C ATOM 678 CD1 PHE A 44 -6.479 2.079 1.629 1.00 0.00 C ATOM 679 CD2 PHE A 44 -7.846 0.202 2.176 1.00 0.00 C ATOM 680 CE1 PHE A 44 -6.537 2.507 2.941 1.00 0.00 C ATOM 681 CE2 PHE A 44 -7.908 0.627 3.491 1.00 0.00 C ATOM 682 CZ PHE A 44 -7.253 1.781 3.874 1.00 0.00 C ATOM 0 H PHE A 44 -7.669 -0.514 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.988 1.315 -0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.252 -0.625 -0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.047 0.599 -0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.918 2.651 0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.359 -0.702 1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.023 3.409 3.238 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.468 0.057 4.217 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.300 2.115 4.900 1.00 0.00 H new ATOM 692 N CYS A 45 -6.617 2.498 -2.571 1.00 0.00 N ATOM 693 CA CYS A 45 -5.971 3.719 -3.047 1.00 0.00 C ATOM 694 C CYS A 45 -6.966 4.716 -3.617 1.00 0.00 C ATOM 695 O CYS A 45 -6.820 5.917 -3.428 1.00 0.00 O ATOM 696 CB CYS A 45 -4.923 3.391 -4.105 1.00 0.00 C ATOM 697 SG CYS A 45 -3.401 2.672 -3.425 1.00 0.00 S ATOM 0 H CYS A 45 -6.335 1.654 -3.070 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.494 4.179 -2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.353 2.695 -4.826 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.673 4.301 -4.650 1.00 0.00 H new ATOM 702 N LEU A 46 -7.959 4.225 -4.338 1.00 0.00 N ATOM 703 CA LEU A 46 -8.969 5.102 -4.914 1.00 0.00 C ATOM 704 C LEU A 46 -10.087 5.396 -3.919 1.00 0.00 C ATOM 705 O LEU A 46 -10.701 6.459 -3.967 1.00 0.00 O ATOM 706 CB LEU A 46 -9.551 4.485 -6.181 1.00 0.00 C ATOM 707 CG LEU A 46 -8.566 4.306 -7.335 1.00 0.00 C ATOM 708 CD1 LEU A 46 -9.235 3.591 -8.498 1.00 0.00 C ATOM 709 CD2 LEU A 46 -8.020 5.653 -7.780 1.00 0.00 C ATOM 0 H LEU A 46 -8.089 3.233 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.482 6.044 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.972 3.511 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.376 5.110 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.733 3.694 -6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.520 3.472 -9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.581 2.610 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.085 4.178 -8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.320 5.508 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.842 6.288 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.506 6.131 -6.946 1.00 0.00 H new ATOM 721 N ASP A 47 -10.348 4.457 -3.016 1.00 0.00 N ATOM 722 CA ASP A 47 -11.432 4.614 -2.046 1.00 0.00 C ATOM 723 C ASP A 47 -10.912 5.246 -0.758 1.00 0.00 C ATOM 724 O ASP A 47 -11.008 4.673 0.330 1.00 0.00 O ATOM 725 CB ASP A 47 -12.095 3.264 -1.758 1.00 0.00 C ATOM 726 CG ASP A 47 -13.348 3.390 -0.914 1.00 0.00 C ATOM 727 OD1 ASP A 47 -14.232 4.202 -1.270 1.00 0.00 O ATOM 728 OD2 ASP A 47 -13.460 2.672 0.102 1.00 0.00 O ATOM 0 H ASP A 47 -9.829 3.583 -2.933 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.183 5.279 -2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.346 2.780 -2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.382 2.617 -1.247 1.00 0.00 H new ATOM 733 N THR A 48 -10.352 6.432 -0.908 1.00 0.00 N ATOM 734 CA THR A 48 -9.807 7.200 0.200 1.00 0.00 C ATOM 735 C THR A 48 -9.841 8.682 -0.150 1.00 0.00 C ATOM 736 O THR A 48 -10.511 9.071 -1.108 1.00 0.00 O ATOM 737 CB THR A 48 -8.359 6.775 0.518 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.769 6.162 -0.632 1.00 0.00 O ATOM 739 CG2 THR A 48 -8.311 5.817 1.698 1.00 0.00 C ATOM 0 H THR A 48 -10.261 6.896 -1.812 1.00 0.00 H new ATOM 0 HA THR A 48 -10.416 7.010 1.083 1.00 0.00 H new ATOM 0 HB THR A 48 -7.794 7.668 0.785 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.780 6.794 -1.381 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.277 5.536 1.897 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.731 6.303 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.891 4.924 1.465 1.00 0.00 H new ATOM 747 N LYS A 49 -9.119 9.510 0.590 1.00 0.00 N ATOM 748 CA LYS A 49 -9.086 10.933 0.285 1.00 0.00 C ATOM 749 C LYS A 49 -7.841 11.274 -0.520 1.00 0.00 C ATOM 750 O LYS A 49 -6.927 10.457 -0.622 1.00 0.00 O ATOM 751 CB LYS A 49 -9.150 11.782 1.560 1.00 0.00 C ATOM 752 CG LYS A 49 -10.305 11.425 2.487 1.00 0.00 C ATOM 753 CD LYS A 49 -11.646 11.437 1.766 1.00 0.00 C ATOM 754 CE LYS A 49 -11.999 12.814 1.231 1.00 0.00 C ATOM 755 NZ LYS A 49 -13.241 12.780 0.413 1.00 0.00 N ATOM 0 H LYS A 49 -8.557 9.228 1.393 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.967 11.166 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.213 11.671 2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.234 12.832 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.133 10.437 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.334 12.131 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.619 10.725 0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.427 11.104 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.129 13.506 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.175 13.193 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.453 13.736 0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.108 12.138 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.032 12.442 0.997 1.00 0.00 H new ATOM 769 N GLY A 50 -7.823 12.482 -1.083 1.00 0.00 N ATOM 770 CA GLY A 50 -6.801 12.870 -2.048 1.00 0.00 C ATOM 771 C GLY A 50 -5.383 12.549 -1.618 1.00 0.00 C ATOM 772 O GLY A 50 -4.578 12.107 -2.436 1.00 0.00 O ATOM 0 H GLY A 50 -8.509 13.210 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.003 12.369 -2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.879 13.942 -2.231 1.00 0.00 H new ATOM 776 N LYS A 51 -5.085 12.757 -0.342 1.00 0.00 N ATOM 777 CA LYS A 51 -3.758 12.471 0.203 1.00 0.00 C ATOM 778 C LYS A 51 -3.316 11.053 -0.137 1.00 0.00 C ATOM 779 O LYS A 51 -2.211 10.837 -0.629 1.00 0.00 O ATOM 780 CB LYS A 51 -3.754 12.661 1.724 1.00 0.00 C ATOM 781 CG LYS A 51 -3.438 14.078 2.181 1.00 0.00 C ATOM 782 CD LYS A 51 -4.352 15.108 1.541 1.00 0.00 C ATOM 783 CE LYS A 51 -4.068 16.506 2.063 1.00 0.00 C ATOM 784 NZ LYS A 51 -2.635 16.880 1.934 1.00 0.00 N ATOM 0 H LYS A 51 -5.747 13.125 0.341 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.055 13.170 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.730 12.375 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.023 11.980 2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.531 14.137 3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.402 14.313 1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.222 15.089 0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.391 14.848 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.679 17.225 1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.363 16.567 3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.560 17.883 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.152 16.724 2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.188 16.295 1.199 1.00 0.00 H new ATOM 798 N GLU A 52 -4.196 10.095 0.101 1.00 0.00 N ATOM 799 CA GLU A 52 -3.876 8.694 -0.114 1.00 0.00 C ATOM 800 C GLU A 52 -4.061 8.304 -1.578 1.00 0.00 C ATOM 801 O GLU A 52 -3.286 7.511 -2.116 1.00 0.00 O ATOM 802 CB GLU A 52 -4.732 7.823 0.803 1.00 0.00 C ATOM 803 CG GLU A 52 -4.446 8.069 2.277 1.00 0.00 C ATOM 804 CD GLU A 52 -5.488 7.466 3.194 1.00 0.00 C ATOM 805 OE1 GLU A 52 -6.555 8.093 3.371 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.234 6.386 3.766 1.00 0.00 O ATOM 0 H GLU A 52 -5.142 10.263 0.445 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.826 8.533 0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.786 8.018 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.553 6.773 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.469 7.654 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.391 9.143 2.456 1.00 0.00 H new ATOM 813 N ASN A 53 -5.066 8.888 -2.234 1.00 0.00 N ATOM 814 CA ASN A 53 -5.307 8.604 -3.651 1.00 0.00 C ATOM 815 C ASN A 53 -4.101 9.055 -4.474 1.00 0.00 C ATOM 816 O ASN A 53 -3.751 8.440 -5.483 1.00 0.00 O ATOM 817 CB ASN A 53 -6.571 9.306 -4.188 1.00 0.00 C ATOM 818 CG ASN A 53 -7.768 9.251 -3.264 1.00 0.00 C ATOM 819 OD1 ASN A 53 -7.934 8.155 -2.558 1.00 0.00 O flip ATOM 820 ND2 ASN A 53 -8.566 10.187 -3.217 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.718 9.551 -1.815 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.460 7.529 -3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.332 10.350 -4.388 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.844 8.853 -5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.405 11.023 -3.779 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.388 10.127 -2.616 1.00 0.00 H new ATOM 827 N ARG A 54 -3.470 10.140 -4.028 1.00 0.00 N ATOM 828 CA ARG A 54 -2.293 10.685 -4.694 1.00 0.00 C ATOM 829 C ARG A 54 -1.030 9.954 -4.249 1.00 0.00 C ATOM 830 O ARG A 54 -0.141 9.693 -5.058 1.00 0.00 O ATOM 831 CB ARG A 54 -2.155 12.182 -4.395 1.00 0.00 C ATOM 832 CG ARG A 54 -0.987 12.846 -5.109 1.00 0.00 C ATOM 833 CD ARG A 54 -1.197 12.871 -6.614 1.00 0.00 C ATOM 834 NE ARG A 54 -0.025 13.373 -7.328 1.00 0.00 N ATOM 835 CZ ARG A 54 -0.018 13.682 -8.624 1.00 0.00 C ATOM 836 NH1 ARG A 54 -1.126 13.567 -9.348 1.00 0.00 N ATOM 837 NH2 ARG A 54 1.098 14.112 -9.197 1.00 0.00 N ATOM 0 H ARG A 54 -3.759 10.661 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.419 10.544 -5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.078 12.687 -4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.037 12.319 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.865 13.865 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.066 12.311 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.429 11.865 -6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.058 13.497 -6.848 1.00 0.00 H new ATOM 0 HE ARG A 54 0.841 13.494 -6.802 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.988 13.241 -8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.114 13.805 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.951 14.206 -8.646 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.103 14.349 -10.189 1.00 0.00 H new ATOM 851 N LEU A 55 -0.961 9.623 -2.962 1.00 0.00 N ATOM 852 CA LEU A 55 0.204 8.947 -2.394 1.00 0.00 C ATOM 853 C LEU A 55 0.516 7.662 -3.142 1.00 0.00 C ATOM 854 O LEU A 55 1.679 7.333 -3.380 1.00 0.00 O ATOM 855 CB LEU A 55 -0.029 8.614 -0.922 1.00 0.00 C ATOM 856 CG LEU A 55 1.118 7.865 -0.247 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.267 8.810 0.070 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.627 7.161 1.004 1.00 0.00 C ATOM 0 H LEU A 55 -1.703 9.813 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 55 1.049 9.630 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.209 9.541 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.935 8.014 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 55 1.491 7.108 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.073 8.255 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.635 9.258 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.918 9.595 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.457 6.632 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.225 7.896 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.154 6.448 0.738 1.00 0.00 H new ATOM 870 N CYS A 56 -0.528 6.940 -3.516 1.00 0.00 N ATOM 871 CA CYS A 56 -0.363 5.659 -4.178 1.00 0.00 C ATOM 872 C CYS A 56 0.365 5.780 -5.509 1.00 0.00 C ATOM 873 O CYS A 56 0.977 4.825 -5.955 1.00 0.00 O ATOM 874 CB CYS A 56 -1.709 4.971 -4.359 1.00 0.00 C ATOM 875 SG CYS A 56 -2.384 4.308 -2.810 1.00 0.00 S ATOM 0 H CYS A 56 -1.498 7.220 -3.372 1.00 0.00 H new ATOM 0 HA CYS A 56 0.263 5.044 -3.531 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.419 5.681 -4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.602 4.159 -5.078 1.00 0.00 H new ATOM 880 N TYR A 57 0.344 6.955 -6.129 1.00 0.00 N ATOM 881 CA TYR A 57 1.081 7.151 -7.373 1.00 0.00 C ATOM 882 C TYR A 57 2.578 6.947 -7.149 1.00 0.00 C ATOM 883 O TYR A 57 3.313 6.581 -8.068 1.00 0.00 O ATOM 884 CB TYR A 57 0.836 8.544 -7.948 1.00 0.00 C ATOM 885 CG TYR A 57 -0.544 8.746 -8.527 1.00 0.00 C ATOM 886 CD1 TYR A 57 -0.993 7.975 -9.590 1.00 0.00 C ATOM 887 CD2 TYR A 57 -1.390 9.720 -8.020 1.00 0.00 C ATOM 888 CE1 TYR A 57 -2.249 8.170 -10.130 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.644 9.923 -8.556 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.069 9.146 -9.611 1.00 0.00 C ATOM 891 OH TYR A 57 -4.315 9.354 -10.151 1.00 0.00 O ATOM 0 H TYR A 57 -0.166 7.774 -5.798 1.00 0.00 H new ATOM 0 HA TYR A 57 0.720 6.411 -8.088 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.999 9.282 -7.162 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.575 8.738 -8.725 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.350 7.211 -10.001 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.061 10.330 -7.191 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.586 7.560 -10.955 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.290 10.688 -8.151 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.764 10.078 -9.667 1.00 0.00 H new ATOM 901 N TYR A 58 3.025 7.192 -5.923 1.00 0.00 N ATOM 902 CA TYR A 58 4.426 7.018 -5.568 1.00 0.00 C ATOM 903 C TYR A 58 4.707 5.575 -5.156 1.00 0.00 C ATOM 904 O TYR A 58 5.853 5.128 -5.179 1.00 0.00 O ATOM 905 CB TYR A 58 4.809 7.960 -4.423 1.00 0.00 C ATOM 906 CG TYR A 58 4.467 9.410 -4.680 1.00 0.00 C ATOM 907 CD1 TYR A 58 5.295 10.215 -5.450 1.00 0.00 C ATOM 908 CD2 TYR A 58 3.312 9.972 -4.153 1.00 0.00 C ATOM 909 CE1 TYR A 58 4.981 11.540 -5.686 1.00 0.00 C ATOM 910 CE2 TYR A 58 2.990 11.293 -4.386 1.00 0.00 C ATOM 911 CZ TYR A 58 3.827 12.074 -5.152 1.00 0.00 C ATOM 912 OH TYR A 58 3.509 13.392 -5.386 1.00 0.00 O ATOM 0 H TYR A 58 2.434 7.513 -5.156 1.00 0.00 H new ATOM 0 HA TYR A 58 5.026 7.257 -6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.304 7.634 -3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.880 7.877 -4.240 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.199 9.800 -5.871 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.654 9.364 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.636 12.154 -6.286 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.086 11.713 -3.970 1.00 0.00 H new ATOM 0 HH TYR A 58 2.664 13.609 -4.940 1.00 0.00 H new ATOM 922 N LEU A 59 3.653 4.853 -4.788 1.00 0.00 N ATOM 923 CA LEU A 59 3.794 3.497 -4.261 1.00 0.00 C ATOM 924 C LEU A 59 3.449 2.449 -5.320 1.00 0.00 C ATOM 925 O LEU A 59 3.871 1.297 -5.228 1.00 0.00 O ATOM 926 CB LEU A 59 2.892 3.308 -3.033 1.00 0.00 C ATOM 927 CG LEU A 59 3.089 4.329 -1.904 1.00 0.00 C ATOM 928 CD1 LEU A 59 2.201 3.992 -0.715 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.545 4.384 -1.473 1.00 0.00 C ATOM 0 H LEU A 59 2.690 5.184 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 59 4.836 3.360 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.852 3.348 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.061 2.310 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 59 2.805 5.310 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.355 4.727 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.156 4.007 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.454 3.000 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.660 5.114 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.856 3.402 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.165 4.675 -2.321 1.00 0.00 H new ATOM 941 N GLY A 60 2.672 2.853 -6.314 1.00 0.00 N ATOM 942 CA GLY A 60 2.275 1.947 -7.372 1.00 0.00 C ATOM 943 C GLY A 60 0.769 1.883 -7.523 1.00 0.00 C ATOM 944 O GLY A 60 0.112 2.917 -7.641 1.00 0.00 O ATOM 0 H GLY A 60 2.307 3.801 -6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.721 2.269 -8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.662 0.950 -7.161 1.00 0.00 H new ATOM 948 N ALA A 61 0.229 0.669 -7.524 1.00 0.00 N ATOM 949 CA ALA A 61 -1.217 0.447 -7.575 1.00 0.00 C ATOM 950 C ALA A 61 -1.859 1.098 -8.802 1.00 0.00 C ATOM 951 O ALA A 61 -1.172 1.495 -9.742 1.00 0.00 O ATOM 952 CB ALA A 61 -1.872 0.954 -6.295 1.00 0.00 C ATOM 0 H ALA A 61 0.778 -0.190 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.381 -0.627 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.947 0.784 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.459 0.420 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.678 2.021 -6.185 1.00 0.00 H new ATOM 958 N THR A 62 -3.193 1.161 -8.789 1.00 0.00 N ATOM 959 CA THR A 62 -4.000 1.791 -9.848 1.00 0.00 C ATOM 960 C THR A 62 -3.733 1.195 -11.238 1.00 0.00 C ATOM 961 O THR A 62 -4.182 1.742 -12.246 1.00 0.00 O ATOM 962 CB THR A 62 -3.810 3.334 -9.898 1.00 0.00 C ATOM 963 OG1 THR A 62 -2.468 3.684 -10.267 1.00 0.00 O ATOM 964 CG2 THR A 62 -4.140 3.967 -8.552 1.00 0.00 C ATOM 0 H THR A 62 -3.755 0.771 -8.033 1.00 0.00 H new ATOM 0 HA THR A 62 -5.034 1.575 -9.580 1.00 0.00 H new ATOM 0 HB THR A 62 -4.495 3.716 -10.655 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.969 2.872 -10.494 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.999 5.046 -8.613 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.176 3.750 -8.292 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.481 3.558 -7.786 1.00 0.00 H new ATOM 972 N LYS A 63 -3.010 0.070 -11.283 1.00 0.00 N ATOM 973 CA LYS A 63 -2.642 -0.591 -12.541 1.00 0.00 C ATOM 974 C LYS A 63 -1.792 0.323 -13.426 1.00 0.00 C ATOM 975 O LYS A 63 -1.586 0.042 -14.607 1.00 0.00 O ATOM 976 CB LYS A 63 -3.888 -1.046 -13.313 1.00 0.00 C ATOM 977 CG LYS A 63 -4.733 -2.071 -12.574 1.00 0.00 C ATOM 978 CD LYS A 63 -3.942 -3.331 -12.266 1.00 0.00 C ATOM 979 CE LYS A 63 -3.503 -4.042 -13.534 1.00 0.00 C ATOM 980 NZ LYS A 63 -2.617 -5.198 -13.239 1.00 0.00 N ATOM 0 H LYS A 63 -2.664 -0.407 -10.450 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.050 -1.468 -12.279 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.504 -0.174 -13.535 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.577 -1.468 -14.269 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.103 -1.637 -11.645 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.605 -2.326 -13.176 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.066 -3.074 -11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.551 -4.005 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.381 -4.387 -14.080 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.980 -3.339 -14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.338 -5.658 -14.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.767 -4.866 -12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.125 -5.881 -12.641 1.00 0.00 H new ATOM 994 N ASP A 64 -1.287 1.400 -12.841 1.00 0.00 N ATOM 995 CA ASP A 64 -0.539 2.412 -13.578 1.00 0.00 C ATOM 996 C ASP A 64 0.467 3.086 -12.663 1.00 0.00 C ATOM 997 O ASP A 64 0.804 2.541 -11.611 1.00 0.00 O ATOM 998 CB ASP A 64 -1.486 3.464 -14.170 1.00 0.00 C ATOM 999 CG ASP A 64 -1.985 3.095 -15.551 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -1.159 3.021 -16.482 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -3.205 2.880 -15.718 1.00 0.00 O ATOM 0 H ASP A 64 -1.383 1.598 -11.845 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.011 1.919 -14.394 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.339 3.594 -13.504 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.971 4.423 -14.219 1.00 0.00 H new ATOM 1006 N ALA A 65 0.945 4.262 -13.077 1.00 0.00 N ATOM 1007 CA ALA A 65 1.881 5.061 -12.287 1.00 0.00 C ATOM 1008 C ALA A 65 3.260 4.417 -12.242 1.00 0.00 C ATOM 1009 O ALA A 65 4.145 4.749 -13.031 1.00 0.00 O ATOM 1010 CB ALA A 65 1.357 5.276 -10.873 1.00 0.00 C ATOM 0 H ALA A 65 0.693 4.686 -13.970 1.00 0.00 H new ATOM 0 HA ALA A 65 1.973 6.031 -12.776 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.072 5.873 -10.307 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.401 5.798 -10.915 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.223 4.311 -10.384 1.00 0.00 H new ATOM 1016 N ALA A 66 3.421 3.486 -11.322 1.00 0.00 N ATOM 1017 CA ALA A 66 4.664 2.768 -11.153 1.00 0.00 C ATOM 1018 C ALA A 66 4.356 1.299 -10.914 1.00 0.00 C ATOM 1019 O ALA A 66 3.908 0.911 -9.835 1.00 0.00 O ATOM 1020 CB ALA A 66 5.461 3.362 -10.003 1.00 0.00 C ATOM 0 H ALA A 66 2.689 3.207 -10.669 1.00 0.00 H new ATOM 0 HA ALA A 66 5.272 2.857 -12.053 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.395 2.813 -9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.680 4.409 -10.214 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.880 3.291 -9.083 1.00 0.00 H new ATOM 1026 N THR A 67 4.570 0.488 -11.930 1.00 0.00 N ATOM 1027 CA THR A 67 4.138 -0.894 -11.899 1.00 0.00 C ATOM 1028 C THR A 67 5.142 -1.805 -11.189 1.00 0.00 C ATOM 1029 O THR A 67 4.769 -2.839 -10.637 1.00 0.00 O ATOM 1030 CB THR A 67 3.900 -1.405 -13.328 1.00 0.00 C ATOM 1031 OG1 THR A 67 4.943 -0.920 -14.185 1.00 0.00 O ATOM 1032 CG2 THR A 67 2.548 -0.945 -13.855 1.00 0.00 C ATOM 0 H THR A 67 5.043 0.764 -12.791 1.00 0.00 H new ATOM 0 HA THR A 67 3.208 -0.925 -11.332 1.00 0.00 H new ATOM 0 HB THR A 67 3.907 -2.495 -13.313 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.795 -1.246 -15.097 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.405 -1.321 -14.868 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.757 -1.329 -13.211 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.512 0.144 -13.864 1.00 0.00 H new ATOM 1040 N LYS A 68 6.411 -1.417 -11.186 1.00 0.00 N ATOM 1041 CA LYS A 68 7.455 -2.262 -10.615 1.00 0.00 C ATOM 1042 C LYS A 68 7.441 -2.195 -9.092 1.00 0.00 C ATOM 1043 O LYS A 68 7.465 -3.227 -8.416 1.00 0.00 O ATOM 1044 CB LYS A 68 8.829 -1.856 -11.159 1.00 0.00 C ATOM 1045 CG LYS A 68 9.993 -2.662 -10.594 1.00 0.00 C ATOM 1046 CD LYS A 68 9.794 -4.163 -10.771 1.00 0.00 C ATOM 1047 CE LYS A 68 9.593 -4.546 -12.229 1.00 0.00 C ATOM 1048 NZ LYS A 68 9.440 -6.015 -12.395 1.00 0.00 N ATOM 0 H LYS A 68 6.741 -0.531 -11.569 1.00 0.00 H new ATOM 0 HA LYS A 68 7.255 -3.293 -10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.822 -1.962 -12.244 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.995 -0.801 -10.942 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.916 -2.359 -11.088 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.109 -2.435 -9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.660 -4.692 -10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.930 -4.485 -10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.709 -4.042 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.443 -4.200 -12.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.305 -6.238 -13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.294 -6.495 -12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.614 -6.341 -11.854 1.00 0.00 H new ATOM 1062 N ILE A 69 7.372 -0.983 -8.559 1.00 0.00 N ATOM 1063 CA ILE A 69 7.388 -0.777 -7.114 1.00 0.00 C ATOM 1064 C ILE A 69 6.145 -1.389 -6.460 1.00 0.00 C ATOM 1065 O ILE A 69 6.145 -1.699 -5.269 1.00 0.00 O ATOM 1066 CB ILE A 69 7.492 0.728 -6.771 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.612 0.942 -5.259 1.00 0.00 C ATOM 1068 CG2 ILE A 69 6.297 1.486 -7.325 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.760 2.396 -4.863 1.00 0.00 C ATOM 0 H ILE A 69 7.304 -0.124 -9.106 1.00 0.00 H new ATOM 0 HA ILE A 69 8.269 -1.281 -6.716 1.00 0.00 H new ATOM 0 HB ILE A 69 8.396 1.118 -7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.729 0.529 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.472 0.384 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.388 2.543 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.264 1.372 -8.409 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.380 1.087 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.840 2.471 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.658 2.809 -5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.889 2.956 -5.203 1.00 0.00 H new ATOM 1081 N LEU A 70 5.100 -1.590 -7.263 1.00 0.00 N ATOM 1082 CA LEU A 70 3.860 -2.200 -6.794 1.00 0.00 C ATOM 1083 C LEU A 70 4.153 -3.556 -6.149 1.00 0.00 C ATOM 1084 O LEU A 70 3.652 -3.865 -5.065 1.00 0.00 O ATOM 1085 CB LEU A 70 2.889 -2.364 -7.975 1.00 0.00 C ATOM 1086 CG LEU A 70 1.390 -2.372 -7.632 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.560 -2.407 -8.904 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.022 -3.550 -6.752 1.00 0.00 C ATOM 0 H LEU A 70 5.091 -1.336 -8.251 1.00 0.00 H new ATOM 0 HA LEU A 70 3.400 -1.555 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.073 -1.556 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.127 -3.297 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 70 1.176 -1.457 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.499 -2.412 -8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.783 -1.527 -9.508 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.800 -3.306 -9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.045 -3.520 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.260 -4.479 -7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.586 -3.499 -5.821 1.00 0.00 H new ATOM 1100 N SER A 71 4.994 -4.351 -6.808 1.00 0.00 N ATOM 1101 CA SER A 71 5.337 -5.675 -6.308 1.00 0.00 C ATOM 1102 C SER A 71 6.107 -5.582 -4.993 1.00 0.00 C ATOM 1103 O SER A 71 5.999 -6.459 -4.137 1.00 0.00 O ATOM 1104 CB SER A 71 6.147 -6.457 -7.351 1.00 0.00 C ATOM 1105 OG SER A 71 7.367 -5.804 -7.674 1.00 0.00 O ATOM 0 H SER A 71 5.448 -4.100 -7.686 1.00 0.00 H new ATOM 0 HA SER A 71 4.408 -6.212 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.360 -7.456 -6.971 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.551 -6.580 -8.255 1.00 0.00 H new ATOM 0 HG SER A 71 7.175 -4.972 -8.156 1.00 0.00 H new ATOM 1111 N GLU A 72 6.850 -4.498 -4.817 1.00 0.00 N ATOM 1112 CA GLU A 72 7.653 -4.321 -3.618 1.00 0.00 C ATOM 1113 C GLU A 72 6.778 -3.974 -2.420 1.00 0.00 C ATOM 1114 O GLU A 72 7.241 -3.994 -1.283 1.00 0.00 O ATOM 1115 CB GLU A 72 8.730 -3.258 -3.837 1.00 0.00 C ATOM 1116 CG GLU A 72 9.782 -3.684 -4.847 1.00 0.00 C ATOM 1117 CD GLU A 72 10.927 -2.702 -4.958 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.639 -2.496 -3.952 1.00 0.00 O ATOM 1119 OE2 GLU A 72 11.132 -2.145 -6.055 1.00 0.00 O ATOM 0 H GLU A 72 6.913 -3.732 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 72 8.151 -5.266 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.259 -2.335 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.215 -3.037 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.175 -4.661 -4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.314 -3.799 -5.824 1.00 0.00 H new ATOM 1126 N VAL A 73 5.529 -3.608 -2.685 1.00 0.00 N ATOM 1127 CA VAL A 73 4.542 -3.438 -1.625 1.00 0.00 C ATOM 1128 C VAL A 73 3.830 -4.765 -1.332 1.00 0.00 C ATOM 1129 O VAL A 73 3.852 -5.267 -0.204 1.00 0.00 O ATOM 1130 CB VAL A 73 3.495 -2.365 -1.994 1.00 0.00 C ATOM 1131 CG1 VAL A 73 2.503 -2.159 -0.857 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.175 -1.051 -2.355 1.00 0.00 C ATOM 0 H VAL A 73 5.176 -3.423 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 73 5.077 -3.109 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 73 2.944 -2.718 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.776 -1.398 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.986 -3.096 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.036 -1.835 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.419 -0.309 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.757 -0.697 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.836 -1.206 -3.208 1.00 0.00 H new ATOM 1142 N THR A 74 3.241 -5.346 -2.373 1.00 0.00 N ATOM 1143 CA THR A 74 2.403 -6.537 -2.238 1.00 0.00 C ATOM 1144 C THR A 74 3.149 -7.710 -1.609 1.00 0.00 C ATOM 1145 O THR A 74 2.602 -8.408 -0.755 1.00 0.00 O ATOM 1146 CB THR A 74 1.848 -6.972 -3.609 1.00 0.00 C ATOM 1147 OG1 THR A 74 2.917 -7.098 -4.557 1.00 0.00 O ATOM 1148 CG2 THR A 74 0.831 -5.970 -4.123 1.00 0.00 C ATOM 0 H THR A 74 3.329 -5.007 -3.331 1.00 0.00 H new ATOM 0 HA THR A 74 1.584 -6.261 -1.574 1.00 0.00 H new ATOM 0 HB THR A 74 1.357 -7.937 -3.484 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.578 -6.915 -5.458 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.454 -6.299 -5.091 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.004 -5.897 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.304 -4.994 -4.230 1.00 0.00 H new ATOM 1156 N ARG A 75 4.392 -7.926 -2.025 1.00 0.00 N ATOM 1157 CA ARG A 75 5.167 -9.065 -1.536 1.00 0.00 C ATOM 1158 C ARG A 75 5.332 -9.032 -0.011 1.00 0.00 C ATOM 1159 O ARG A 75 4.976 -10.002 0.660 1.00 0.00 O ATOM 1160 CB ARG A 75 6.528 -9.161 -2.241 1.00 0.00 C ATOM 1161 CG ARG A 75 6.487 -9.931 -3.558 1.00 0.00 C ATOM 1162 CD ARG A 75 5.470 -9.347 -4.526 1.00 0.00 C ATOM 1163 NE ARG A 75 5.407 -10.085 -5.784 1.00 0.00 N ATOM 1164 CZ ARG A 75 4.423 -9.951 -6.674 1.00 0.00 C ATOM 1165 NH1 ARG A 75 3.411 -9.127 -6.426 1.00 0.00 N ATOM 1166 NH2 ARG A 75 4.452 -10.639 -7.807 1.00 0.00 N ATOM 0 H ARG A 75 4.883 -7.334 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 75 4.602 -9.965 -1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.900 -8.154 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.240 -9.643 -1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.475 -9.917 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.242 -10.975 -3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.486 -9.348 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.724 -8.307 -4.731 1.00 0.00 H new ATOM 0 HE ARG A 75 6.159 -10.741 -5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.387 -8.597 -5.555 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.658 -9.024 -7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.228 -11.272 -7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.698 -10.535 -8.486 1.00 0.00 H new ATOM 1180 N PRO A 76 5.861 -7.935 0.575 1.00 0.00 N ATOM 1181 CA PRO A 76 5.997 -7.834 2.033 1.00 0.00 C ATOM 1182 C PRO A 76 4.662 -7.637 2.749 1.00 0.00 C ATOM 1183 O PRO A 76 4.576 -7.785 3.964 1.00 0.00 O ATOM 1184 CB PRO A 76 6.895 -6.616 2.231 1.00 0.00 C ATOM 1185 CG PRO A 76 6.693 -5.792 1.015 1.00 0.00 C ATOM 1186 CD PRO A 76 6.432 -6.758 -0.107 1.00 0.00 C ATOM 0 HA PRO A 76 6.402 -8.753 2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.622 -6.066 3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.939 -6.909 2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.854 -5.108 1.143 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.572 -5.182 0.807 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.739 -6.344 -0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.348 -7.009 -0.641 1.00 0.00 H new ATOM 1194 N MET A 77 3.628 -7.291 1.999 1.00 0.00 N ATOM 1195 CA MET A 77 2.288 -7.172 2.563 1.00 0.00 C ATOM 1196 C MET A 77 1.655 -8.546 2.728 1.00 0.00 C ATOM 1197 O MET A 77 0.646 -8.695 3.409 1.00 0.00 O ATOM 1198 CB MET A 77 1.401 -6.292 1.683 1.00 0.00 C ATOM 1199 CG MET A 77 1.111 -4.927 2.284 1.00 0.00 C ATOM 1200 SD MET A 77 2.604 -3.985 2.646 1.00 0.00 S ATOM 1201 CE MET A 77 1.896 -2.517 3.381 1.00 0.00 C ATOM 0 H MET A 77 3.688 -7.088 1.001 1.00 0.00 H new ATOM 0 HA MET A 77 2.377 -6.703 3.543 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.883 -6.158 0.714 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.458 -6.808 1.501 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.487 -4.358 1.595 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.537 -5.055 3.202 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.594 -2.101 4.108 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.700 -1.779 2.603 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.962 -2.774 3.881 1.00 0.00 H new ATOM 1211 N SER A 78 2.258 -9.543 2.092 1.00 0.00 N ATOM 1212 CA SER A 78 1.745 -10.905 2.104 1.00 0.00 C ATOM 1213 C SER A 78 2.130 -11.645 3.386 1.00 0.00 C ATOM 1214 O SER A 78 1.597 -12.718 3.681 1.00 0.00 O ATOM 1215 CB SER A 78 2.281 -11.662 0.886 1.00 0.00 C ATOM 1216 OG SER A 78 1.791 -12.992 0.841 1.00 0.00 O ATOM 0 H SER A 78 3.117 -9.429 1.554 1.00 0.00 H new ATOM 0 HA SER A 78 0.657 -10.857 2.065 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.994 -11.137 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.371 -11.676 0.916 1.00 0.00 H new ATOM 0 HG SER A 78 1.540 -13.279 1.744 1.00 0.00 H new ATOM 1222 N VAL A 79 3.066 -11.080 4.130 1.00 0.00 N ATOM 1223 CA VAL A 79 3.600 -11.725 5.320 1.00 0.00 C ATOM 1224 C VAL A 79 3.949 -10.663 6.361 1.00 0.00 C ATOM 1225 O VAL A 79 4.274 -9.536 6.001 1.00 0.00 O ATOM 1226 CB VAL A 79 4.845 -12.575 4.952 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.890 -11.734 4.239 1.00 0.00 C ATOM 1228 CG2 VAL A 79 5.443 -13.252 6.173 1.00 0.00 C ATOM 0 H VAL A 79 3.475 -10.168 3.929 1.00 0.00 H new ATOM 0 HA VAL A 79 2.849 -12.393 5.742 1.00 0.00 H new ATOM 0 HB VAL A 79 4.512 -13.357 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.751 -12.355 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.464 -11.325 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.205 -10.918 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.313 -13.838 5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.746 -12.495 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.700 -13.909 6.625 1.00 0.00 H new ATOM 1238 N HIS A 80 3.849 -11.009 7.647 1.00 0.00 N ATOM 1239 CA HIS A 80 4.112 -10.048 8.720 1.00 0.00 C ATOM 1240 C HIS A 80 5.549 -9.540 8.621 1.00 0.00 C ATOM 1241 O HIS A 80 6.496 -10.269 8.919 1.00 0.00 O ATOM 1242 CB HIS A 80 3.856 -10.679 10.092 1.00 0.00 C ATOM 1243 CG HIS A 80 3.667 -9.674 11.189 1.00 0.00 C ATOM 1244 ND1 HIS A 80 2.442 -9.418 11.769 1.00 0.00 N ATOM 1245 CD2 HIS A 80 4.548 -8.857 11.811 1.00 0.00 C ATOM 1246 CE1 HIS A 80 2.580 -8.491 12.695 1.00 0.00 C ATOM 1247 NE2 HIS A 80 3.848 -8.134 12.743 1.00 0.00 N ATOM 0 H HIS A 80 3.589 -11.941 7.969 1.00 0.00 H new ATOM 0 HA HIS A 80 3.431 -9.205 8.607 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.970 -11.311 10.033 1.00 0.00 H new ATOM 0 HB3 HIS A 80 4.694 -11.329 10.346 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.607 -8.787 11.611 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.788 -8.091 13.311 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.244 -7.434 13.371 1.00 0.00 H new ATOM 1256 N MET A 81 5.704 -8.288 8.202 1.00 0.00 N ATOM 1257 CA MET A 81 7.012 -7.776 7.816 1.00 0.00 C ATOM 1258 C MET A 81 7.267 -6.332 8.264 1.00 0.00 C ATOM 1259 O MET A 81 6.373 -5.641 8.757 1.00 0.00 O ATOM 1260 CB MET A 81 7.168 -7.870 6.291 1.00 0.00 C ATOM 1261 CG MET A 81 7.701 -9.213 5.824 1.00 0.00 C ATOM 1262 SD MET A 81 8.225 -9.200 4.099 1.00 0.00 S ATOM 1263 CE MET A 81 9.515 -7.958 4.146 1.00 0.00 C ATOM 0 H MET A 81 4.944 -7.613 8.122 1.00 0.00 H new ATOM 0 HA MET A 81 7.750 -8.395 8.326 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.201 -7.687 5.822 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.841 -7.082 5.952 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.544 -9.502 6.452 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.929 -9.971 5.958 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.045 -7.948 3.194 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.071 -6.979 4.324 1.00 0.00 H new ATOM 0 HE3 MET A 81 10.215 -8.191 4.949 1.00 0.00 H new ATOM 1273 N PRO A 82 8.544 -5.913 8.096 1.00 0.00 N ATOM 1274 CA PRO A 82 9.099 -4.556 8.316 1.00 0.00 C ATOM 1275 C PRO A 82 8.285 -3.331 7.862 1.00 0.00 C ATOM 1276 O PRO A 82 8.813 -2.237 7.934 1.00 0.00 O ATOM 1277 CB PRO A 82 10.408 -4.596 7.542 1.00 0.00 C ATOM 1278 CG PRO A 82 10.883 -5.982 7.732 1.00 0.00 C ATOM 1279 CD PRO A 82 9.650 -6.837 7.721 1.00 0.00 C ATOM 0 HA PRO A 82 9.147 -4.391 9.392 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.257 -4.365 6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.124 -3.871 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.569 -6.274 6.937 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.423 -6.086 8.673 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.482 -7.277 6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.734 -7.662 8.429 1.00 0.00 H new ATOM 1287 N ALA A 83 7.070 -3.525 7.323 1.00 0.00 N ATOM 1288 CA ALA A 83 6.292 -2.488 6.589 1.00 0.00 C ATOM 1289 C ALA A 83 6.376 -1.063 7.158 1.00 0.00 C ATOM 1290 O ALA A 83 6.159 -0.107 6.419 1.00 0.00 O ATOM 1291 CB ALA A 83 4.826 -2.897 6.520 1.00 0.00 C ATOM 0 H ALA A 83 6.584 -4.420 7.381 1.00 0.00 H new ATOM 0 HA ALA A 83 6.756 -2.443 5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.261 -2.136 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.738 -3.850 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.429 -2.998 7.530 1.00 0.00 H new ATOM 1297 N MET A 84 6.672 -0.909 8.439 1.00 0.00 N ATOM 1298 CA MET A 84 6.961 0.414 8.995 1.00 0.00 C ATOM 1299 C MET A 84 8.249 0.962 8.368 1.00 0.00 C ATOM 1300 O MET A 84 8.259 2.003 7.710 1.00 0.00 O ATOM 1301 CB MET A 84 7.140 0.314 10.510 1.00 0.00 C ATOM 1302 CG MET A 84 6.100 -0.557 11.192 1.00 0.00 C ATOM 1303 SD MET A 84 6.845 -1.760 12.311 1.00 0.00 S ATOM 1304 CE MET A 84 8.017 -2.567 11.215 1.00 0.00 C ATOM 0 H MET A 84 6.720 -1.673 9.113 1.00 0.00 H new ATOM 0 HA MET A 84 6.130 1.084 8.774 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.132 -0.085 10.724 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.100 1.315 10.938 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.408 0.075 11.749 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.515 -1.081 10.436 1.00 0.00 H new ATOM 0 HE1 MET A 84 8.467 -3.418 11.726 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.500 -2.913 10.320 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.797 -1.860 10.932 1.00 0.00 H new ATOM 1314 N LYS A 85 9.320 0.202 8.520 1.00 0.00 N ATOM 1315 CA LYS A 85 10.621 0.561 7.975 1.00 0.00 C ATOM 1316 C LYS A 85 10.618 0.451 6.448 1.00 0.00 C ATOM 1317 O LYS A 85 11.510 0.962 5.779 1.00 0.00 O ATOM 1318 CB LYS A 85 11.701 -0.345 8.581 1.00 0.00 C ATOM 1319 CG LYS A 85 13.113 -0.043 8.101 1.00 0.00 C ATOM 1320 CD LYS A 85 14.140 -0.946 8.768 1.00 0.00 C ATOM 1321 CE LYS A 85 13.821 -2.416 8.550 1.00 0.00 C ATOM 1322 NZ LYS A 85 14.847 -3.304 9.152 1.00 0.00 N ATOM 0 H LYS A 85 9.313 -0.684 9.026 1.00 0.00 H new ATOM 0 HA LYS A 85 10.840 1.597 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.671 -0.251 9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.463 -1.382 8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.165 -0.170 7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.354 0.999 8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.131 -0.726 8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.171 -0.735 9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.847 -2.643 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.750 -2.617 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.591 -4.297 8.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.773 -3.106 8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.897 -3.132 10.176 1.00 0.00 H new ATOM 1336 N ILE A 86 9.608 -0.207 5.891 1.00 0.00 N ATOM 1337 CA ILE A 86 9.495 -0.320 4.441 1.00 0.00 C ATOM 1338 C ILE A 86 9.238 1.052 3.814 1.00 0.00 C ATOM 1339 O ILE A 86 9.634 1.303 2.679 1.00 0.00 O ATOM 1340 CB ILE A 86 8.405 -1.337 4.010 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.810 -2.744 4.463 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.187 -1.303 2.501 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.878 -3.844 3.996 1.00 0.00 C ATOM 0 H ILE A 86 8.863 -0.666 6.414 1.00 0.00 H new ATOM 0 HA ILE A 86 10.447 -0.703 4.073 1.00 0.00 H new ATOM 0 HB ILE A 86 7.464 -1.062 4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.815 -2.956 4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.857 -2.762 5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.418 -2.026 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.869 -0.304 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.118 -1.555 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.239 -4.806 4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.876 -3.661 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.848 -3.857 2.906 1.00 0.00 H new ATOM 1355 N CYS A 87 8.626 1.960 4.568 1.00 0.00 N ATOM 1356 CA CYS A 87 8.436 3.325 4.080 1.00 0.00 C ATOM 1357 C CYS A 87 9.750 4.081 4.154 1.00 0.00 C ATOM 1358 O CYS A 87 9.979 5.046 3.430 1.00 0.00 O ATOM 1359 CB CYS A 87 7.348 4.049 4.874 1.00 0.00 C ATOM 1360 SG CYS A 87 6.981 5.752 4.318 1.00 0.00 S ATOM 0 H CYS A 87 8.258 1.782 5.503 1.00 0.00 H new ATOM 0 HA CYS A 87 8.109 3.281 3.041 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.431 3.462 4.822 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.647 4.082 5.922 1.00 0.00 H new ATOM 1365 N GLU A 88 10.622 3.606 5.019 1.00 0.00 N ATOM 1366 CA GLU A 88 11.968 4.124 5.109 1.00 0.00 C ATOM 1367 C GLU A 88 12.787 3.597 3.935 1.00 0.00 C ATOM 1368 O GLU A 88 13.596 4.318 3.348 1.00 0.00 O ATOM 1369 CB GLU A 88 12.576 3.705 6.438 1.00 0.00 C ATOM 1370 CG GLU A 88 11.893 4.339 7.640 1.00 0.00 C ATOM 1371 CD GLU A 88 12.535 3.956 8.957 1.00 0.00 C ATOM 1372 OE1 GLU A 88 13.699 4.346 9.187 1.00 0.00 O ATOM 1373 OE2 GLU A 88 11.874 3.286 9.778 1.00 0.00 O ATOM 0 H GLU A 88 10.417 2.853 5.676 1.00 0.00 H new ATOM 0 HA GLU A 88 11.962 5.213 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.521 2.620 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.633 3.973 6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.916 5.424 7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.844 4.042 7.653 1.00 0.00 H new ATOM 1380 N LYS A 89 12.547 2.334 3.581 1.00 0.00 N ATOM 1381 CA LYS A 89 13.120 1.751 2.374 1.00 0.00 C ATOM 1382 C LYS A 89 12.605 2.497 1.151 1.00 0.00 C ATOM 1383 O LYS A 89 13.320 2.687 0.167 1.00 0.00 O ATOM 1384 CB LYS A 89 12.761 0.274 2.248 1.00 0.00 C ATOM 1385 CG LYS A 89 13.373 -0.605 3.308 1.00 0.00 C ATOM 1386 CD LYS A 89 13.143 -2.057 2.968 1.00 0.00 C ATOM 1387 CE LYS A 89 13.118 -2.910 4.208 1.00 0.00 C ATOM 1388 NZ LYS A 89 12.902 -4.343 3.875 1.00 0.00 N ATOM 0 H LYS A 89 11.958 1.696 4.116 1.00 0.00 H new ATOM 0 HA LYS A 89 14.204 1.839 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.677 0.171 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.079 -0.083 1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.442 -0.406 3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.935 -0.376 4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.200 -2.163 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.930 -2.406 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.058 -2.798 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.326 -2.566 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.890 -4.905 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.993 -4.451 3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.672 -4.676 3.260 1.00 0.00 H new ATOM 1402 N LEU A 90 11.345 2.909 1.233 1.00 0.00 N ATOM 1403 CA LEU A 90 10.706 3.694 0.187 1.00 0.00 C ATOM 1404 C LEU A 90 11.407 5.024 -0.010 1.00 0.00 C ATOM 1405 O LEU A 90 11.421 5.570 -1.111 1.00 0.00 O ATOM 1406 CB LEU A 90 9.237 3.928 0.527 1.00 0.00 C ATOM 1407 CG LEU A 90 8.313 2.775 0.164 1.00 0.00 C ATOM 1408 CD1 LEU A 90 6.904 3.030 0.671 1.00 0.00 C ATOM 1409 CD2 LEU A 90 8.319 2.591 -1.340 1.00 0.00 C ATOM 0 H LEU A 90 10.738 2.707 2.028 1.00 0.00 H new ATOM 0 HA LEU A 90 10.776 3.131 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.151 4.123 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.897 4.826 0.011 1.00 0.00 H new ATOM 0 HG LEU A 90 8.672 1.863 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.262 2.192 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.921 3.137 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.516 3.944 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.659 1.766 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.970 3.506 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.332 2.369 -1.675 1.00 0.00 H new ATOM 1421 N LYS A 91 12.013 5.527 1.054 1.00 0.00 N ATOM 1422 CA LYS A 91 12.722 6.792 0.993 1.00 0.00 C ATOM 1423 C LYS A 91 13.937 6.682 0.081 1.00 0.00 C ATOM 1424 O LYS A 91 14.415 7.677 -0.462 1.00 0.00 O ATOM 1425 CB LYS A 91 13.161 7.223 2.393 1.00 0.00 C ATOM 1426 CG LYS A 91 12.012 7.611 3.309 1.00 0.00 C ATOM 1427 CD LYS A 91 11.528 9.022 3.030 1.00 0.00 C ATOM 1428 CE LYS A 91 12.609 10.044 3.344 1.00 0.00 C ATOM 1429 NZ LYS A 91 13.035 9.982 4.770 1.00 0.00 N ATOM 0 H LYS A 91 12.027 5.077 1.969 1.00 0.00 H new ATOM 0 HA LYS A 91 12.045 7.543 0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.721 6.409 2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.843 8.069 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.188 6.910 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.332 7.534 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.234 9.109 1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.641 9.231 3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.471 9.870 2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.239 11.044 3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.558 10.847 5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.196 9.901 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.648 9.155 4.913 1.00 0.00 H new ATOM 1443 N LYS A 92 14.431 5.460 -0.083 1.00 0.00 N ATOM 1444 CA LYS A 92 15.576 5.206 -0.940 1.00 0.00 C ATOM 1445 C LYS A 92 15.126 5.113 -2.395 1.00 0.00 C ATOM 1446 O LYS A 92 15.937 5.171 -3.321 1.00 0.00 O ATOM 1447 CB LYS A 92 16.284 3.918 -0.501 1.00 0.00 C ATOM 1448 CG LYS A 92 17.653 3.715 -1.132 1.00 0.00 C ATOM 1449 CD LYS A 92 18.373 2.516 -0.533 1.00 0.00 C ATOM 1450 CE LYS A 92 17.663 1.209 -0.851 1.00 0.00 C ATOM 1451 NZ LYS A 92 17.735 0.868 -2.296 1.00 0.00 N ATOM 0 H LYS A 92 14.052 4.628 0.370 1.00 0.00 H new ATOM 0 HA LYS A 92 16.283 6.031 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.394 3.928 0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.651 3.066 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.542 3.574 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.257 4.611 -0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 92 19.393 2.477 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 92 18.442 2.637 0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 92 18.109 0.404 -0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.618 1.282 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.391 -0.103 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.144 1.530 -2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.721 0.938 -2.620 1.00 0.00 H new ATOM 1465 N LEU A 93 13.820 4.970 -2.588 1.00 0.00 N ATOM 1466 CA LEU A 93 13.240 4.926 -3.923 1.00 0.00 C ATOM 1467 C LEU A 93 12.773 6.316 -4.339 1.00 0.00 C ATOM 1468 O LEU A 93 12.929 6.715 -5.494 1.00 0.00 O ATOM 1469 CB LEU A 93 12.074 3.938 -3.973 1.00 0.00 C ATOM 1470 CG LEU A 93 12.457 2.481 -3.721 1.00 0.00 C ATOM 1471 CD1 LEU A 93 11.216 1.604 -3.687 1.00 0.00 C ATOM 1472 CD2 LEU A 93 13.423 1.991 -4.788 1.00 0.00 C ATOM 0 H LEU A 93 13.141 4.882 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 93 14.006 4.588 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.331 4.237 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.597 4.010 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 93 12.953 2.418 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.507 0.569 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.555 1.940 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.695 1.673 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.685 0.951 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.952 2.068 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.326 2.602 -4.770 1.00 0.00 H new ATOM 1484 N ASP A 94 12.192 7.045 -3.391 1.00 0.00 N ATOM 1485 CA ASP A 94 11.787 8.426 -3.620 1.00 0.00 C ATOM 1486 C ASP A 94 11.565 9.132 -2.286 1.00 0.00 C ATOM 1487 O ASP A 94 10.985 8.566 -1.357 1.00 0.00 O ATOM 1488 CB ASP A 94 10.509 8.492 -4.463 1.00 0.00 C ATOM 1489 CG ASP A 94 10.337 9.841 -5.135 1.00 0.00 C ATOM 1490 OD1 ASP A 94 10.235 10.860 -4.428 1.00 0.00 O ATOM 1491 OD2 ASP A 94 10.329 9.891 -6.384 1.00 0.00 O ATOM 0 H ASP A 94 11.991 6.699 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 94 12.585 8.928 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.535 7.710 -5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.646 8.291 -3.828 1.00 0.00 H new ATOM 1496 N SER A 95 12.038 10.365 -2.193 1.00 0.00 N ATOM 1497 CA SER A 95 11.955 11.137 -0.964 1.00 0.00 C ATOM 1498 C SER A 95 10.606 11.851 -0.850 1.00 0.00 C ATOM 1499 O SER A 95 10.166 12.184 0.254 1.00 0.00 O ATOM 1500 CB SER A 95 13.100 12.155 -0.926 1.00 0.00 C ATOM 1501 OG SER A 95 13.087 12.922 0.268 1.00 0.00 O ATOM 0 H SER A 95 12.489 10.857 -2.965 1.00 0.00 H new ATOM 0 HA SER A 95 12.043 10.456 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.053 11.633 -1.012 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.023 12.820 -1.786 1.00 0.00 H new ATOM 0 HG SER A 95 13.832 13.558 0.256 1.00 0.00 H new ATOM 1507 N GLN A 96 9.938 12.054 -1.986 1.00 0.00 N ATOM 1508 CA GLN A 96 8.688 12.815 -2.020 1.00 0.00 C ATOM 1509 C GLN A 96 7.570 12.054 -1.315 1.00 0.00 C ATOM 1510 O GLN A 96 6.568 12.641 -0.905 1.00 0.00 O ATOM 1511 CB GLN A 96 8.287 13.125 -3.468 1.00 0.00 C ATOM 1512 CG GLN A 96 7.080 14.045 -3.599 1.00 0.00 C ATOM 1513 CD GLN A 96 7.295 15.390 -2.928 1.00 0.00 C ATOM 1514 OE1 GLN A 96 7.773 16.341 -3.549 1.00 0.00 O ATOM 1515 NE2 GLN A 96 6.942 15.477 -1.655 1.00 0.00 N ATOM 0 H GLN A 96 10.241 11.703 -2.894 1.00 0.00 H new ATOM 0 HA GLN A 96 8.850 13.755 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.135 13.582 -3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.073 12.188 -3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.860 14.201 -4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 96 6.208 13.559 -3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 96 6.550 14.665 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.062 16.356 -1.151 1.00 0.00 H new ATOM 1524 N ILE A 97 7.758 10.748 -1.168 1.00 0.00 N ATOM 1525 CA ILE A 97 6.791 9.902 -0.480 1.00 0.00 C ATOM 1526 C ILE A 97 6.627 10.356 0.970 1.00 0.00 C ATOM 1527 O ILE A 97 5.553 10.225 1.566 1.00 0.00 O ATOM 1528 CB ILE A 97 7.224 8.419 -0.513 1.00 0.00 C ATOM 1529 CG1 ILE A 97 7.518 7.986 -1.952 1.00 0.00 C ATOM 1530 CG2 ILE A 97 6.146 7.533 0.097 1.00 0.00 C ATOM 1531 CD1 ILE A 97 8.008 6.557 -2.075 1.00 0.00 C ATOM 0 H ILE A 97 8.576 10.250 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 97 5.837 9.996 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 97 8.133 8.310 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.613 8.102 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.267 8.654 -2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 97 6.469 6.492 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.975 7.828 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.221 7.643 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.194 6.325 -3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.931 6.439 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.251 5.878 -1.682 1.00 0.00 H new ATOM 1543 N CYS A 98 7.692 10.911 1.535 1.00 0.00 N ATOM 1544 CA CYS A 98 7.626 11.453 2.878 1.00 0.00 C ATOM 1545 C CYS A 98 7.127 12.887 2.840 1.00 0.00 C ATOM 1546 O CYS A 98 7.913 13.836 2.911 1.00 0.00 O ATOM 1547 CB CYS A 98 8.980 11.394 3.581 1.00 0.00 C ATOM 1548 SG CYS A 98 8.972 12.101 5.269 1.00 0.00 S ATOM 0 H CYS A 98 8.603 10.995 1.085 1.00 0.00 H new ATOM 0 HA CYS A 98 6.928 10.838 3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.305 10.355 3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 98 9.715 11.927 2.978 1.00 0.00 H new ATOM 1553 N GLU A 99 5.814 13.019 2.713 1.00 0.00 N ATOM 1554 CA GLU A 99 5.137 14.301 2.784 1.00 0.00 C ATOM 1555 C GLU A 99 3.644 14.082 2.582 1.00 0.00 C ATOM 1556 O GLU A 99 3.087 13.116 3.112 1.00 0.00 O ATOM 1557 CB GLU A 99 5.685 15.268 1.725 1.00 0.00 C ATOM 1558 CG GLU A 99 6.442 16.449 2.312 1.00 0.00 C ATOM 1559 CD GLU A 99 5.528 17.497 2.904 1.00 0.00 C ATOM 1560 OE1 GLU A 99 4.901 17.237 3.951 1.00 0.00 O ATOM 1561 OE2 GLU A 99 5.423 18.590 2.320 1.00 0.00 O ATOM 0 H GLU A 99 5.186 12.231 2.557 1.00 0.00 H new ATOM 0 HA GLU A 99 5.314 14.747 3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.346 14.721 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.857 15.641 1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.123 16.090 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.054 16.905 1.534 1.00 0.00 H new ATOM 1568 N LEU A 100 3.011 14.976 1.819 1.00 0.00 N ATOM 1569 CA LEU A 100 1.589 14.868 1.495 1.00 0.00 C ATOM 1570 C LEU A 100 0.730 14.977 2.749 1.00 0.00 C ATOM 1571 O LEU A 100 -0.426 14.559 2.743 1.00 0.00 O ATOM 1572 CB LEU A 100 1.280 13.543 0.774 1.00 0.00 C ATOM 1573 CG LEU A 100 1.787 13.425 -0.669 1.00 0.00 C ATOM 1574 CD1 LEU A 100 3.269 13.085 -0.708 1.00 0.00 C ATOM 1575 CD2 LEU A 100 0.979 12.386 -1.426 1.00 0.00 C ATOM 0 H LEU A 100 3.468 15.791 1.411 1.00 0.00 H new ATOM 0 HA LEU A 100 1.348 15.696 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.709 12.728 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.200 13.398 0.771 1.00 0.00 H new ATOM 0 HG LEU A 100 1.657 14.392 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.598 13.008 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.835 13.869 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.438 12.134 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.349 12.312 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.078 11.419 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.070 12.681 -1.440 1.00 0.00 H new ATOM 1587 N LYS A 101 1.294 15.583 3.797 1.00 0.00 N ATOM 1588 CA LYS A 101 0.686 15.590 5.129 1.00 0.00 C ATOM 1589 C LYS A 101 -0.797 15.927 5.079 1.00 0.00 C ATOM 1590 O LYS A 101 -1.197 16.855 4.368 1.00 0.00 O ATOM 1591 CB LYS A 101 1.405 16.578 6.052 1.00 0.00 C ATOM 1592 CG LYS A 101 2.894 16.310 6.198 1.00 0.00 C ATOM 1593 CD LYS A 101 3.165 14.880 6.634 1.00 0.00 C ATOM 1594 CE LYS A 101 4.654 14.605 6.771 1.00 0.00 C ATOM 1595 NZ LYS A 101 5.266 15.375 7.884 1.00 0.00 N ATOM 0 H LYS A 101 2.183 16.081 3.746 1.00 0.00 H new ATOM 0 HA LYS A 101 0.791 14.581 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.263 17.588 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.941 16.543 7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.394 16.502 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.319 17.000 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.671 14.691 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.733 14.191 5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.811 13.540 6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.156 14.858 5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.240 15.046 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.277 16.386 7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.710 15.233 8.751 1.00 0.00 H new ATOM 1609 N TYR A 102 -1.603 15.166 5.808 1.00 0.00 N ATOM 1610 CA TYR A 102 -3.054 15.307 5.744 1.00 0.00 C ATOM 1611 C TYR A 102 -3.472 16.742 6.012 1.00 0.00 C ATOM 1612 O TYR A 102 -4.088 17.389 5.158 1.00 0.00 O ATOM 1613 CB TYR A 102 -3.736 14.365 6.738 1.00 0.00 C ATOM 1614 CG TYR A 102 -3.568 12.906 6.396 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -4.380 12.301 5.447 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.596 12.132 7.016 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -4.229 10.968 5.125 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.438 10.799 6.698 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.257 10.222 5.752 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.102 8.895 5.432 1.00 0.00 O ATOM 0 H TYR A 102 -1.278 14.444 6.451 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.370 15.038 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.331 14.546 7.734 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.799 14.600 6.779 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.143 12.884 4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.953 12.581 7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.870 10.512 4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.676 10.211 7.188 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.097 8.792 4.457 1.00 0.00 H new