USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 844 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 50 ASN : amide:sc= -1.17 K(o=-0.62,f=-4.5) USER MOD Set 1.2: A 52 THR OG1 : rot 83:sc= 0.547 USER MOD Set 2.1: A 46 THR OG1 : rot -170:sc= -0.768 USER MOD Set 2.2: A 55 GLN : amide:sc= -2.73 X(o=-3.5,f=-3.5!) USER MOD Set 3.1: A 43 HIS : no HD1:sc= -1.77 X(o=-2,f=-2.3) USER MOD Set 3.2: A 45 GLN :FLIP amide:sc= -0.266 X(o=-2.3,f=-2) USER MOD Set 4.1: A 21 LYS NZ :NH3+ 158:sc= -0.102 (180deg=-0.401) USER MOD Set 4.2: A 23 THR OG1 : rot 180:sc= -0.0542 USER MOD Single : A 16 ASN : amide:sc= -0.997 K(o=-1,f=-3.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 32:sc= 0.336 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -5.84! C(o=-5.8!,f=-9.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0572 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -39:sc= -1.61! USER MOD Single : A 80 MET CE :methyl 172:sc= -5.5! (180deg=-6.02!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 54:sc= 0.207 USER MOD Single : A 92 SER OG : rot -94:sc= 0.0181 USER MOD Single : A 93 LYS NZ :NH3+ -118:sc= -1.63! (180deg=-4.45!) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0318 USER MOD Single : A 95 CYS SG : rot 69:sc= -0.269 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HD1:sc= -0.136 F(o=-0.69,f=-0.14) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0334 USER MOD Single : A 119 LYS NZ :NH3+ -152:sc= -0.131 (180deg=-0.712) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.408 -11.916 3.523 1.00 0.00 N ATOM 121 CA LEU A 11 -7.338 -11.869 2.400 1.00 0.00 C ATOM 122 C LEU A 11 -6.589 -11.902 1.071 1.00 0.00 C ATOM 123 O LEU A 11 -5.621 -11.167 0.875 1.00 0.00 O ATOM 124 CB LEU A 11 -8.202 -10.610 2.480 1.00 0.00 C ATOM 125 CG LEU A 11 -8.988 -10.254 1.218 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.284 -9.544 1.578 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.145 -9.390 0.291 1.00 0.00 C ATOM 0 HA LEU A 11 -7.981 -12.747 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.908 -10.730 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.558 -9.767 2.733 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.237 -11.178 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.830 -9.299 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.895 -10.196 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.058 -8.628 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.720 -9.146 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.865 -8.470 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.245 -9.934 0.005 1.00 0.00 H new ATOM 139 N ASP A 12 -7.045 -12.756 0.162 1.00 0.00 N ATOM 140 CA ASP A 12 -6.421 -12.882 -1.150 1.00 0.00 C ATOM 141 C ASP A 12 -7.087 -11.954 -2.160 1.00 0.00 C ATOM 142 O ASP A 12 -8.133 -12.280 -2.722 1.00 0.00 O ATOM 143 CB ASP A 12 -6.500 -14.329 -1.639 1.00 0.00 C ATOM 144 CG ASP A 12 -7.838 -14.973 -1.329 1.00 0.00 C ATOM 145 OD1 ASP A 12 -7.977 -15.555 -0.233 1.00 0.00 O ATOM 146 OD2 ASP A 12 -8.745 -14.894 -2.183 1.00 0.00 O ATOM 0 H ASP A 12 -7.845 -13.372 0.309 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.374 -12.595 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.328 -14.356 -2.715 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.704 -14.911 -1.174 1.00 0.00 H new ATOM 151 N ILE A 13 -6.475 -10.796 -2.384 1.00 0.00 N ATOM 152 CA ILE A 13 -7.009 -9.820 -3.327 1.00 0.00 C ATOM 153 C ILE A 13 -7.108 -10.409 -4.730 1.00 0.00 C ATOM 154 O ILE A 13 -8.102 -10.209 -5.430 1.00 0.00 O ATOM 155 CB ILE A 13 -6.140 -8.550 -3.375 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.242 -7.785 -2.054 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.560 -7.665 -4.539 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.000 -6.989 -1.719 1.00 0.00 C ATOM 0 H ILE A 13 -5.610 -10.511 -1.926 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.006 -9.554 -2.976 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.101 -8.844 -3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.096 -7.109 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.439 -8.492 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.937 -6.771 -4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.441 -8.213 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.604 -7.376 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.144 -6.473 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.147 -7.662 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.814 -6.257 -2.505 1.00 0.00 H new ATOM 170 N LEU A 14 -6.073 -11.136 -5.135 1.00 0.00 N ATOM 171 CA LEU A 14 -6.043 -11.756 -6.455 1.00 0.00 C ATOM 172 C LEU A 14 -6.617 -13.169 -6.406 1.00 0.00 C ATOM 173 O LEU A 14 -7.189 -13.652 -7.382 1.00 0.00 O ATOM 174 CB LEU A 14 -4.611 -11.793 -6.991 1.00 0.00 C ATOM 175 CG LEU A 14 -3.945 -10.436 -7.219 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.483 -10.616 -7.598 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.684 -9.653 -8.295 1.00 0.00 C ATOM 0 H LEU A 14 -5.243 -11.311 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.659 -11.156 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.998 -12.364 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.612 -12.338 -7.935 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.991 -9.869 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.025 -9.640 -7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.960 -11.136 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.414 -11.202 -8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.196 -8.690 -8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.670 -10.215 -9.229 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.716 -9.492 -7.984 1.00 0.00 H new ATOM 189 N GLY A 15 -6.461 -13.826 -5.260 1.00 0.00 N ATOM 190 CA GLY A 15 -6.970 -15.176 -5.104 1.00 0.00 C ATOM 191 C GLY A 15 -5.862 -16.204 -4.993 1.00 0.00 C ATOM 192 O GLY A 15 -6.014 -17.219 -4.315 1.00 0.00 O ATOM 0 H GLY A 15 -5.991 -13.447 -4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.597 -15.224 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.606 -15.422 -5.955 1.00 0.00 H new ATOM 196 N ASN A 16 -4.745 -15.942 -5.663 1.00 0.00 N ATOM 197 CA ASN A 16 -3.607 -16.854 -5.639 1.00 0.00 C ATOM 198 C ASN A 16 -2.996 -16.924 -4.243 1.00 0.00 C ATOM 199 O ASN A 16 -2.675 -18.003 -3.747 1.00 0.00 O ATOM 200 CB ASN A 16 -2.548 -16.410 -6.650 1.00 0.00 C ATOM 201 CG ASN A 16 -3.157 -15.743 -7.868 1.00 0.00 C ATOM 202 OD1 ASN A 16 -4.332 -15.941 -8.176 1.00 0.00 O ATOM 203 ND2 ASN A 16 -2.356 -14.947 -8.568 1.00 0.00 N ATOM 0 H ASN A 16 -4.603 -15.106 -6.229 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.964 -17.847 -5.911 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.856 -15.719 -6.168 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.965 -17.275 -6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.709 -14.471 -9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.388 -14.812 -8.275 1.00 0.00 H new ATOM 210 N GLY A 17 -2.837 -15.763 -3.613 1.00 0.00 N ATOM 211 CA GLY A 17 -2.265 -15.714 -2.281 1.00 0.00 C ATOM 212 C GLY A 17 -1.100 -14.750 -2.185 1.00 0.00 C ATOM 213 O GLY A 17 -0.796 -14.235 -1.108 1.00 0.00 O ATOM 0 H GLY A 17 -3.094 -14.856 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.036 -15.420 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.931 -16.712 -1.995 1.00 0.00 H new ATOM 217 N LEU A 18 -0.443 -14.505 -3.313 1.00 0.00 N ATOM 218 CA LEU A 18 0.698 -13.597 -3.353 1.00 0.00 C ATOM 219 C LEU A 18 0.356 -12.264 -2.694 1.00 0.00 C ATOM 220 O LEU A 18 0.893 -11.925 -1.639 1.00 0.00 O ATOM 221 CB LEU A 18 1.142 -13.365 -4.798 1.00 0.00 C ATOM 222 CG LEU A 18 2.113 -14.396 -5.375 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.197 -14.733 -4.363 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.367 -15.653 -5.799 1.00 0.00 C ATOM 0 H LEU A 18 -0.681 -14.923 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 18 1.516 -14.057 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.254 -13.338 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.608 -12.382 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 18 2.588 -13.965 -6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.879 -15.468 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.751 -13.829 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.739 -15.143 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.074 -16.375 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.864 -16.086 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.628 -15.399 -6.559 1.00 0.00 H new ATOM 236 N LEU A 19 -0.541 -11.513 -3.322 1.00 0.00 N ATOM 237 CA LEU A 19 -0.958 -10.217 -2.797 1.00 0.00 C ATOM 238 C LEU A 19 -2.053 -10.382 -1.748 1.00 0.00 C ATOM 239 O LEU A 19 -3.200 -10.686 -2.076 1.00 0.00 O ATOM 240 CB LEU A 19 -1.454 -9.320 -3.932 1.00 0.00 C ATOM 241 CG LEU A 19 -1.972 -7.941 -3.520 1.00 0.00 C ATOM 242 CD1 LEU A 19 -0.820 -7.039 -3.106 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.766 -7.310 -4.653 1.00 0.00 C ATOM 0 H LEU A 19 -0.994 -11.779 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.095 -9.749 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.639 -9.182 -4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.252 -9.843 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.635 -8.064 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.208 -6.063 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.294 -7.485 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.131 -6.922 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.127 -6.330 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.126 -7.201 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.615 -7.947 -4.901 1.00 0.00 H new ATOM 255 N ARG A 20 -1.691 -10.176 -0.485 1.00 0.00 N ATOM 256 CA ARG A 20 -2.643 -10.301 0.612 1.00 0.00 C ATOM 257 C ARG A 20 -2.983 -8.932 1.195 1.00 0.00 C ATOM 258 O ARG A 20 -2.368 -7.925 0.843 1.00 0.00 O ATOM 259 CB ARG A 20 -2.076 -11.206 1.707 1.00 0.00 C ATOM 260 CG ARG A 20 -1.622 -12.565 1.199 1.00 0.00 C ATOM 261 CD ARG A 20 -0.786 -13.297 2.237 1.00 0.00 C ATOM 262 NE ARG A 20 0.634 -12.972 2.124 1.00 0.00 N ATOM 263 CZ ARG A 20 1.473 -13.613 1.318 1.00 0.00 C ATOM 264 NH1 ARG A 20 1.037 -14.607 0.558 1.00 0.00 N ATOM 265 NH2 ARG A 20 2.751 -13.258 1.271 1.00 0.00 N ATOM 0 H ARG A 20 -0.746 -9.922 -0.197 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.556 -10.747 0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.232 -10.704 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.834 -11.350 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.493 -13.168 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.040 -12.438 0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.139 -13.038 3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.922 -14.372 2.120 1.00 0.00 H new ATOM 0 HE ARG A 20 1.001 -12.211 2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.055 -14.881 0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.683 -15.098 -0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.089 -12.493 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.395 -13.751 0.652 1.00 0.00 H new ATOM 279 N LYS A 21 -3.967 -8.903 2.087 1.00 0.00 N ATOM 280 CA LYS A 21 -4.390 -7.659 2.720 1.00 0.00 C ATOM 281 C LYS A 21 -4.827 -7.903 4.161 1.00 0.00 C ATOM 282 O LYS A 21 -5.545 -8.861 4.449 1.00 0.00 O ATOM 283 CB LYS A 21 -5.535 -7.023 1.928 1.00 0.00 C ATOM 284 CG LYS A 21 -5.821 -5.585 2.322 1.00 0.00 C ATOM 285 CD LYS A 21 -7.163 -5.116 1.784 1.00 0.00 C ATOM 286 CE LYS A 21 -8.311 -5.582 2.667 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.283 -4.927 4.004 1.00 0.00 N ATOM 0 H LYS A 21 -4.487 -9.727 2.388 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.540 -6.977 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.295 -7.059 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.438 -7.617 2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.812 -5.496 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.030 -4.938 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.170 -4.028 1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.303 -5.496 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.259 -5.364 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.258 -6.664 2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.232 -4.962 4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.610 -5.425 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.987 -3.935 3.899 1.00 0.00 H new ATOM 301 N LYS A 22 -4.392 -7.030 5.062 1.00 0.00 N ATOM 302 CA LYS A 22 -4.741 -7.148 6.473 1.00 0.00 C ATOM 303 C LYS A 22 -5.105 -5.788 7.059 1.00 0.00 C ATOM 304 O LYS A 22 -4.255 -4.906 7.186 1.00 0.00 O ATOM 305 CB LYS A 22 -3.577 -7.758 7.258 1.00 0.00 C ATOM 306 CG LYS A 22 -3.769 -7.712 8.764 1.00 0.00 C ATOM 307 CD LYS A 22 -2.634 -8.412 9.492 1.00 0.00 C ATOM 308 CE LYS A 22 -1.423 -7.504 9.641 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.260 -8.221 10.233 1.00 0.00 N ATOM 0 H LYS A 22 -3.797 -6.232 4.841 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.609 -7.803 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.445 -8.795 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.659 -7.229 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.828 -6.674 9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.716 -8.184 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.974 -8.731 10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.350 -9.312 8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.145 -7.106 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.683 -6.653 10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.544 -7.567 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.516 -8.579 11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.005 -9.018 9.620 1.00 0.00 H new ATOM 323 N THR A 23 -6.375 -5.624 7.417 1.00 0.00 N ATOM 324 CA THR A 23 -6.853 -4.372 7.990 1.00 0.00 C ATOM 325 C THR A 23 -6.277 -4.151 9.384 1.00 0.00 C ATOM 326 O THR A 23 -6.740 -4.744 10.359 1.00 0.00 O ATOM 327 CB THR A 23 -8.390 -4.341 8.071 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.952 -4.442 6.758 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.872 -3.061 8.737 1.00 0.00 C ATOM 0 H THR A 23 -7.091 -6.344 7.320 1.00 0.00 H new ATOM 0 HA THR A 23 -6.516 -3.573 7.329 1.00 0.00 H new ATOM 0 HB THR A 23 -8.717 -5.190 8.672 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.930 -4.423 6.818 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.961 -3.062 8.783 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.467 -3.001 9.747 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.534 -2.201 8.159 1.00 0.00 H new ATOM 337 N LEU A 24 -5.267 -3.293 9.473 1.00 0.00 N ATOM 338 CA LEU A 24 -4.628 -2.992 10.750 1.00 0.00 C ATOM 339 C LEU A 24 -5.550 -2.163 11.638 1.00 0.00 C ATOM 340 O LEU A 24 -5.638 -2.392 12.844 1.00 0.00 O ATOM 341 CB LEU A 24 -3.313 -2.244 10.521 1.00 0.00 C ATOM 342 CG LEU A 24 -2.338 -2.888 9.535 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.049 -2.084 9.458 1.00 0.00 C ATOM 344 CD2 LEU A 24 -2.048 -4.327 9.934 1.00 0.00 C ATOM 0 H LEU A 24 -4.873 -2.793 8.676 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.419 -3.935 11.255 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.546 -1.240 10.167 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.808 -2.134 11.481 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.799 -2.892 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.367 -2.557 8.752 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.272 -1.071 9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.584 -2.048 10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.352 -4.769 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.607 -4.346 10.931 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.976 -4.898 9.937 1.00 0.00 H new ATOM 356 N VAL A 25 -6.238 -1.200 11.033 1.00 0.00 N ATOM 357 CA VAL A 25 -7.156 -0.339 11.768 1.00 0.00 C ATOM 358 C VAL A 25 -8.373 0.017 10.921 1.00 0.00 C ATOM 359 O VAL A 25 -8.279 0.735 9.925 1.00 0.00 O ATOM 360 CB VAL A 25 -6.465 0.960 12.224 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.442 1.848 12.979 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.248 0.642 13.080 1.00 0.00 C ATOM 0 H VAL A 25 -6.177 -0.997 10.035 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.478 -0.898 12.646 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.128 1.502 11.341 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.936 2.761 13.293 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.279 2.103 12.329 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.812 1.318 13.857 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.771 1.571 13.394 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.559 0.078 13.960 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.541 0.049 12.501 1.00 0.00 H new ATOM 372 N PRO A 26 -9.545 -0.496 11.324 1.00 0.00 N ATOM 373 CA PRO A 26 -10.804 -0.246 10.616 1.00 0.00 C ATOM 374 C PRO A 26 -11.274 1.198 10.763 1.00 0.00 C ATOM 375 O PRO A 26 -11.057 1.829 11.796 1.00 0.00 O ATOM 376 CB PRO A 26 -11.789 -1.200 11.296 1.00 0.00 C ATOM 377 CG PRO A 26 -11.225 -1.420 12.658 1.00 0.00 C ATOM 378 CD PRO A 26 -9.731 -1.360 12.502 1.00 0.00 C ATOM 0 HA PRO A 26 -10.707 -0.406 9.542 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.788 -0.767 11.346 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.875 -2.138 10.747 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.576 -0.657 13.353 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.537 -2.384 13.059 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.251 -0.942 13.387 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.303 -2.350 12.346 1.00 0.00 H new ATOM 386 N GLY A 27 -11.920 1.714 9.722 1.00 0.00 N ATOM 387 CA GLY A 27 -12.411 3.079 9.755 1.00 0.00 C ATOM 388 C GLY A 27 -13.845 3.168 10.236 1.00 0.00 C ATOM 389 O GLY A 27 -14.513 2.157 10.455 1.00 0.00 O ATOM 0 H GLY A 27 -12.112 1.211 8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.774 3.675 10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.338 3.512 8.757 1.00 0.00 H new ATOM 393 N PRO A 28 -14.340 4.402 10.409 1.00 0.00 N ATOM 394 CA PRO A 28 -15.710 4.649 10.870 1.00 0.00 C ATOM 395 C PRO A 28 -16.751 4.272 9.821 1.00 0.00 C ATOM 396 O PRO A 28 -16.442 4.082 8.645 1.00 0.00 O ATOM 397 CB PRO A 28 -15.732 6.157 11.128 1.00 0.00 C ATOM 398 CG PRO A 28 -14.670 6.708 10.240 1.00 0.00 C ATOM 399 CD PRO A 28 -13.601 5.653 10.168 1.00 0.00 C ATOM 0 HA PRO A 28 -15.959 4.050 11.746 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.706 6.585 10.893 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.529 6.383 12.175 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.066 6.930 9.249 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.272 7.640 10.640 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.107 5.647 9.196 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.827 5.813 10.918 1.00 0.00 H new ATOM 407 N PRO A 29 -18.016 4.163 10.255 1.00 0.00 N ATOM 408 CA PRO A 29 -19.128 3.809 9.368 1.00 0.00 C ATOM 409 C PRO A 29 -19.459 4.923 8.381 1.00 0.00 C ATOM 410 O PRO A 29 -20.208 4.718 7.427 1.00 0.00 O ATOM 411 CB PRO A 29 -20.295 3.587 10.334 1.00 0.00 C ATOM 412 CG PRO A 29 -19.956 4.405 11.532 1.00 0.00 C ATOM 413 CD PRO A 29 -18.457 4.376 11.643 1.00 0.00 C ATOM 0 HA PRO A 29 -18.896 2.941 8.750 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.240 3.904 9.893 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.401 2.533 10.591 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.319 5.427 11.422 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.422 3.996 12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.066 5.309 12.050 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.118 3.575 12.300 1.00 0.00 H new ATOM 421 N GLY A 30 -18.895 6.104 8.617 1.00 0.00 N ATOM 422 CA GLY A 30 -19.143 7.233 7.739 1.00 0.00 C ATOM 423 C GLY A 30 -18.257 7.217 6.510 1.00 0.00 C ATOM 424 O GLY A 30 -18.691 7.588 5.419 1.00 0.00 O ATOM 0 H GLY A 30 -18.271 6.299 9.400 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.188 7.226 7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.979 8.160 8.289 1.00 0.00 H new ATOM 428 N SER A 31 -17.012 6.787 6.685 1.00 0.00 N ATOM 429 CA SER A 31 -16.060 6.729 5.581 1.00 0.00 C ATOM 430 C SER A 31 -16.583 5.835 4.460 1.00 0.00 C ATOM 431 O SER A 31 -17.584 5.138 4.623 1.00 0.00 O ATOM 432 CB SER A 31 -14.707 6.211 6.073 1.00 0.00 C ATOM 433 OG SER A 31 -14.868 5.321 7.164 1.00 0.00 O ATOM 0 H SER A 31 -16.638 6.473 7.581 1.00 0.00 H new ATOM 0 HA SER A 31 -15.933 7.738 5.189 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.190 5.703 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.080 7.050 6.374 1.00 0.00 H new ATOM 0 HG SER A 31 -15.716 4.839 7.070 1.00 0.00 H new ATOM 439 N SER A 32 -15.896 5.861 3.323 1.00 0.00 N ATOM 440 CA SER A 32 -16.291 5.057 2.172 1.00 0.00 C ATOM 441 C SER A 32 -15.198 5.056 1.108 1.00 0.00 C ATOM 442 O SER A 32 -14.628 6.100 0.788 1.00 0.00 O ATOM 443 CB SER A 32 -17.598 5.586 1.578 1.00 0.00 C ATOM 444 OG SER A 32 -17.566 6.998 1.454 1.00 0.00 O ATOM 0 H SER A 32 -15.063 6.430 3.174 1.00 0.00 H new ATOM 0 HA SER A 32 -16.443 4.032 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.765 5.135 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.435 5.292 2.212 1.00 0.00 H new ATOM 0 HG SER A 32 -18.411 7.312 1.071 1.00 0.00 H new ATOM 450 N ARG A 33 -14.912 3.879 0.563 1.00 0.00 N ATOM 451 CA ARG A 33 -13.887 3.741 -0.464 1.00 0.00 C ATOM 452 C ARG A 33 -13.962 4.891 -1.465 1.00 0.00 C ATOM 453 O ARG A 33 -15.041 5.321 -1.874 1.00 0.00 O ATOM 454 CB ARG A 33 -14.042 2.405 -1.194 1.00 0.00 C ATOM 455 CG ARG A 33 -13.928 1.196 -0.280 1.00 0.00 C ATOM 456 CD ARG A 33 -13.389 -0.016 -1.024 1.00 0.00 C ATOM 457 NE ARG A 33 -13.889 -1.269 -0.465 1.00 0.00 N ATOM 458 CZ ARG A 33 -15.127 -1.714 -0.651 1.00 0.00 C ATOM 459 NH1 ARG A 33 -15.985 -1.012 -1.378 1.00 0.00 N ATOM 460 NH2 ARG A 33 -15.507 -2.864 -0.110 1.00 0.00 N ATOM 0 H ARG A 33 -15.376 3.006 0.816 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.913 3.770 0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.011 2.383 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.282 2.335 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.271 1.432 0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.907 0.962 0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.670 0.050 -2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.300 -0.011 -0.984 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.253 -1.833 0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.695 -0.128 -1.796 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.935 -1.356 -1.519 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.849 -3.407 0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.457 -3.205 -0.253 1.00 0.00 H new ATOM 474 N PRO A 34 -12.789 5.402 -1.869 1.00 0.00 N ATOM 475 CA PRO A 34 -12.696 6.508 -2.826 1.00 0.00 C ATOM 476 C PRO A 34 -13.112 6.094 -4.233 1.00 0.00 C ATOM 477 O PRO A 34 -13.745 5.056 -4.424 1.00 0.00 O ATOM 478 CB PRO A 34 -11.211 6.879 -2.794 1.00 0.00 C ATOM 479 CG PRO A 34 -10.518 5.633 -2.361 1.00 0.00 C ATOM 480 CD PRO A 34 -11.465 4.938 -1.422 1.00 0.00 C ATOM 0 HA PRO A 34 -13.361 7.331 -2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.863 7.205 -3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -11.023 7.698 -2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.282 5.000 -3.217 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.575 5.863 -1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.375 3.854 -1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.273 5.209 -0.384 1.00 0.00 H new ATOM 488 N VAL A 35 -12.751 6.912 -5.217 1.00 0.00 N ATOM 489 CA VAL A 35 -13.086 6.629 -6.607 1.00 0.00 C ATOM 490 C VAL A 35 -11.828 6.491 -7.458 1.00 0.00 C ATOM 491 O VAL A 35 -10.781 7.053 -7.134 1.00 0.00 O ATOM 492 CB VAL A 35 -13.978 7.733 -7.205 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.506 9.106 -6.751 1.00 0.00 C ATOM 494 CG2 VAL A 35 -13.994 7.641 -8.724 1.00 0.00 C ATOM 0 H VAL A 35 -12.227 7.776 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.633 5.686 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.996 7.588 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.148 9.873 -7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.552 9.165 -5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.479 9.265 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.629 8.429 -9.130 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.980 7.759 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.384 6.669 -9.026 1.00 0.00 H new ATOM 504 N LYS A 36 -11.938 5.740 -8.549 1.00 0.00 N ATOM 505 CA LYS A 36 -10.811 5.528 -9.449 1.00 0.00 C ATOM 506 C LYS A 36 -10.669 6.691 -10.426 1.00 0.00 C ATOM 507 O LYS A 36 -11.548 6.931 -11.252 1.00 0.00 O ATOM 508 CB LYS A 36 -10.987 4.219 -10.221 1.00 0.00 C ATOM 509 CG LYS A 36 -9.863 3.934 -11.201 1.00 0.00 C ATOM 510 CD LYS A 36 -10.090 2.630 -11.947 1.00 0.00 C ATOM 511 CE LYS A 36 -9.829 1.426 -11.056 1.00 0.00 C ATOM 512 NZ LYS A 36 -9.719 0.166 -11.843 1.00 0.00 N ATOM 0 H LYS A 36 -12.797 5.268 -8.831 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.904 5.469 -8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.056 3.395 -9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.931 4.252 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.785 4.754 -11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.915 3.887 -10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.115 2.595 -12.317 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.435 2.589 -12.817 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.909 1.584 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.636 1.331 -10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.541 -0.631 -11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.606 0.002 -12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.933 0.247 -12.519 1.00 0.00 H new ATOM 526 N GLY A 37 -9.555 7.410 -10.326 1.00 0.00 N ATOM 527 CA GLY A 37 -9.318 8.538 -11.208 1.00 0.00 C ATOM 528 C GLY A 37 -9.098 9.831 -10.448 1.00 0.00 C ATOM 529 O GLY A 37 -8.837 10.873 -11.049 1.00 0.00 O ATOM 0 H GLY A 37 -8.812 7.231 -9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.446 8.333 -11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.168 8.655 -11.880 1.00 0.00 H new ATOM 533 N GLN A 38 -9.207 9.765 -9.125 1.00 0.00 N ATOM 534 CA GLN A 38 -9.020 10.941 -8.284 1.00 0.00 C ATOM 535 C GLN A 38 -7.659 10.910 -7.598 1.00 0.00 C ATOM 536 O GLN A 38 -6.962 9.895 -7.623 1.00 0.00 O ATOM 537 CB GLN A 38 -10.131 11.025 -7.235 1.00 0.00 C ATOM 538 CG GLN A 38 -11.469 11.472 -7.801 1.00 0.00 C ATOM 539 CD GLN A 38 -12.328 12.183 -6.774 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.453 11.768 -6.493 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.801 13.262 -6.207 1.00 0.00 N ATOM 0 H GLN A 38 -9.424 8.910 -8.613 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.064 11.823 -8.922 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.252 10.048 -6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.827 11.719 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.297 12.136 -8.648 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.007 10.603 -8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.865 13.571 -6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.332 13.782 -5.509 1.00 0.00 H new ATOM 550 N VAL A 39 -7.284 12.029 -6.987 1.00 0.00 N ATOM 551 CA VAL A 39 -6.005 12.130 -6.294 1.00 0.00 C ATOM 552 C VAL A 39 -6.091 11.534 -4.893 1.00 0.00 C ATOM 553 O VAL A 39 -6.701 12.114 -3.996 1.00 0.00 O ATOM 554 CB VAL A 39 -5.537 13.594 -6.189 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.285 13.694 -5.331 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.293 14.175 -7.573 1.00 0.00 C ATOM 0 H VAL A 39 -7.848 12.879 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.281 11.566 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.324 14.176 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.969 14.735 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.499 13.319 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.489 13.100 -5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.963 15.210 -7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.524 13.593 -8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.217 14.139 -8.151 1.00 0.00 H new ATOM 566 N VAL A 40 -5.474 10.370 -4.712 1.00 0.00 N ATOM 567 CA VAL A 40 -5.479 9.695 -3.420 1.00 0.00 C ATOM 568 C VAL A 40 -4.123 9.813 -2.733 1.00 0.00 C ATOM 569 O VAL A 40 -3.086 9.504 -3.322 1.00 0.00 O ATOM 570 CB VAL A 40 -5.839 8.205 -3.567 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.343 8.006 -3.459 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.314 7.657 -4.886 1.00 0.00 C ATOM 0 H VAL A 40 -4.965 9.875 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.237 10.186 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.364 7.653 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.578 6.947 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.688 8.359 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.842 8.570 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.578 6.603 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.758 8.211 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.230 7.764 -4.919 1.00 0.00 H new ATOM 582 N THR A 41 -4.136 10.262 -1.482 1.00 0.00 N ATOM 583 CA THR A 41 -2.908 10.422 -0.714 1.00 0.00 C ATOM 584 C THR A 41 -2.872 9.465 0.472 1.00 0.00 C ATOM 585 O THR A 41 -3.739 9.510 1.345 1.00 0.00 O ATOM 586 CB THR A 41 -2.752 11.866 -0.199 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.118 12.795 -1.226 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.321 12.130 0.245 1.00 0.00 C ATOM 0 H THR A 41 -4.984 10.521 -0.979 1.00 0.00 H new ATOM 0 HA THR A 41 -2.082 10.193 -1.387 1.00 0.00 H new ATOM 0 HB THR A 41 -3.412 11.996 0.659 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.018 13.710 -0.890 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.235 13.155 0.605 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.056 11.441 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.646 11.983 -0.598 1.00 0.00 H new ATOM 596 N VAL A 42 -1.865 8.599 0.497 1.00 0.00 N ATOM 597 CA VAL A 42 -1.715 7.631 1.577 1.00 0.00 C ATOM 598 C VAL A 42 -0.269 7.558 2.053 1.00 0.00 C ATOM 599 O VAL A 42 0.600 8.267 1.544 1.00 0.00 O ATOM 600 CB VAL A 42 -2.171 6.226 1.139 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.517 6.297 0.435 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.124 5.582 0.243 1.00 0.00 C ATOM 0 H VAL A 42 -1.140 8.548 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.348 7.971 2.397 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.286 5.606 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.823 5.295 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.261 6.714 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.433 6.932 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.462 4.590 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.975 6.198 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.183 5.495 0.787 1.00 0.00 H new ATOM 612 N HIS A 43 -0.017 6.696 3.034 1.00 0.00 N ATOM 613 CA HIS A 43 1.326 6.530 3.579 1.00 0.00 C ATOM 614 C HIS A 43 1.863 5.133 3.283 1.00 0.00 C ATOM 615 O HIS A 43 1.516 4.166 3.964 1.00 0.00 O ATOM 616 CB HIS A 43 1.321 6.779 5.087 1.00 0.00 C ATOM 617 CG HIS A 43 2.692 6.876 5.683 1.00 0.00 C ATOM 618 ND1 HIS A 43 2.968 7.605 6.820 1.00 0.00 N ATOM 619 CD2 HIS A 43 3.867 6.330 5.293 1.00 0.00 C ATOM 620 CE1 HIS A 43 4.255 7.504 7.103 1.00 0.00 C ATOM 621 NE2 HIS A 43 4.823 6.736 6.192 1.00 0.00 N ATOM 0 H HIS A 43 -0.725 6.102 3.467 1.00 0.00 H new ATOM 0 HA HIS A 43 1.979 7.260 3.100 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.778 7.702 5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.776 5.973 5.578 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.024 5.694 4.435 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.757 7.971 7.938 1.00 0.00 H new ATOM 0 HE2 HIS A 43 5.811 6.485 6.161 1.00 0.00 H new ATOM 630 N LEU A 44 2.710 5.033 2.265 1.00 0.00 N ATOM 631 CA LEU A 44 3.294 3.753 1.879 1.00 0.00 C ATOM 632 C LEU A 44 4.740 3.650 2.352 1.00 0.00 C ATOM 633 O LEU A 44 5.512 4.600 2.229 1.00 0.00 O ATOM 634 CB LEU A 44 3.229 3.578 0.361 1.00 0.00 C ATOM 635 CG LEU A 44 4.380 2.797 -0.275 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.658 3.621 -0.257 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.587 1.472 0.445 1.00 0.00 C ATOM 0 H LEU A 44 3.008 5.822 1.692 1.00 0.00 H new ATOM 0 HA LEU A 44 2.718 2.960 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.294 3.075 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.190 4.566 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 44 4.122 2.587 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.466 3.049 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.504 4.543 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.921 3.862 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.410 0.929 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.823 1.660 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.677 0.876 0.380 1.00 0.00 H new ATOM 649 N GLN A 45 5.100 2.490 2.892 1.00 0.00 N ATOM 650 CA GLN A 45 6.454 2.263 3.382 1.00 0.00 C ATOM 651 C GLN A 45 6.975 0.902 2.932 1.00 0.00 C ATOM 652 O GLN A 45 6.428 -0.138 3.302 1.00 0.00 O ATOM 653 CB GLN A 45 6.489 2.356 4.909 1.00 0.00 C ATOM 654 CG GLN A 45 6.154 3.740 5.441 1.00 0.00 C ATOM 655 CD GLN A 45 6.644 3.953 6.860 1.00 0.00 C ATOM 656 OE1 GLN A 45 7.913 3.646 7.100 1.00 0.00 O flip ATOM 657 NE2 GLN A 45 5.890 4.389 7.730 1.00 0.00 N flip ATOM 0 H GLN A 45 4.473 1.693 3.001 1.00 0.00 H new ATOM 0 HA GLN A 45 7.099 3.035 2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.785 1.635 5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.481 2.071 5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.599 4.493 4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.074 3.887 5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.921 4.612 7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.234 4.528 8.680 1.00 0.00 H new ATOM 666 N THR A 46 8.036 0.915 2.131 1.00 0.00 N ATOM 667 CA THR A 46 8.630 -0.318 1.628 1.00 0.00 C ATOM 668 C THR A 46 9.662 -0.868 2.606 1.00 0.00 C ATOM 669 O THR A 46 10.573 -0.156 3.028 1.00 0.00 O ATOM 670 CB THR A 46 9.300 -0.101 0.259 1.00 0.00 C ATOM 671 OG1 THR A 46 8.494 0.763 -0.550 1.00 0.00 O ATOM 672 CG2 THR A 46 9.508 -1.427 -0.458 1.00 0.00 C ATOM 0 H THR A 46 8.502 1.766 1.817 1.00 0.00 H new ATOM 0 HA THR A 46 7.819 -1.038 1.516 1.00 0.00 H new ATOM 0 HB THR A 46 10.273 0.361 0.425 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.841 0.771 -1.466 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.983 -1.248 -1.423 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.146 -2.071 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.544 -1.912 -0.612 1.00 0.00 H new ATOM 680 N SER A 47 9.515 -2.141 2.961 1.00 0.00 N ATOM 681 CA SER A 47 10.433 -2.786 3.891 1.00 0.00 C ATOM 682 C SER A 47 10.579 -4.270 3.569 1.00 0.00 C ATOM 683 O SER A 47 9.597 -4.954 3.278 1.00 0.00 O ATOM 684 CB SER A 47 9.943 -2.610 5.330 1.00 0.00 C ATOM 685 OG SER A 47 8.551 -2.859 5.428 1.00 0.00 O ATOM 0 H SER A 47 8.768 -2.745 2.618 1.00 0.00 H new ATOM 0 HA SER A 47 11.409 -2.312 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.485 -3.290 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.159 -1.597 5.670 1.00 0.00 H new ATOM 0 HG SER A 47 8.262 -2.742 6.357 1.00 0.00 H new ATOM 691 N LEU A 48 11.812 -4.762 3.624 1.00 0.00 N ATOM 692 CA LEU A 48 12.088 -6.166 3.338 1.00 0.00 C ATOM 693 C LEU A 48 11.357 -7.076 4.320 1.00 0.00 C ATOM 694 O LEU A 48 11.152 -6.716 5.478 1.00 0.00 O ATOM 695 CB LEU A 48 13.593 -6.433 3.402 1.00 0.00 C ATOM 696 CG LEU A 48 14.362 -6.258 2.092 1.00 0.00 C ATOM 697 CD1 LEU A 48 13.957 -7.328 1.089 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.127 -4.869 1.517 1.00 0.00 C ATOM 0 H LEU A 48 12.636 -4.210 3.864 1.00 0.00 H new ATOM 0 HA LEU A 48 11.728 -6.384 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.028 -5.767 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.746 -7.452 3.757 1.00 0.00 H new ATOM 0 HG LEU A 48 15.426 -6.368 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.514 -7.188 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.177 -8.313 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.889 -7.250 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.682 -4.762 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.063 -4.730 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.467 -4.118 2.230 1.00 0.00 H new ATOM 710 N GLU A 49 10.968 -8.256 3.848 1.00 0.00 N ATOM 711 CA GLU A 49 10.261 -9.218 4.685 1.00 0.00 C ATOM 712 C GLU A 49 10.945 -9.365 6.041 1.00 0.00 C ATOM 713 O GLU A 49 10.291 -9.596 7.057 1.00 0.00 O ATOM 714 CB GLU A 49 10.187 -10.578 3.988 1.00 0.00 C ATOM 715 CG GLU A 49 9.609 -11.679 4.861 1.00 0.00 C ATOM 716 CD GLU A 49 10.667 -12.384 5.687 1.00 0.00 C ATOM 717 OE1 GLU A 49 11.636 -12.902 5.092 1.00 0.00 O ATOM 718 OE2 GLU A 49 10.527 -12.419 6.928 1.00 0.00 O ATOM 0 H GLU A 49 11.130 -8.569 2.891 1.00 0.00 H new ATOM 0 HA GLU A 49 9.249 -8.846 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.579 -10.483 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.188 -10.868 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.858 -11.253 5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.100 -12.408 4.231 1.00 0.00 H new ATOM 725 N ASN A 50 12.268 -9.231 6.047 1.00 0.00 N ATOM 726 CA ASN A 50 13.042 -9.351 7.277 1.00 0.00 C ATOM 727 C ASN A 50 12.805 -8.150 8.188 1.00 0.00 C ATOM 728 O ASN A 50 12.537 -8.305 9.379 1.00 0.00 O ATOM 729 CB ASN A 50 14.533 -9.475 6.956 1.00 0.00 C ATOM 730 CG ASN A 50 14.949 -8.592 5.795 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.084 -7.377 5.942 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.155 -9.201 4.633 1.00 0.00 N ATOM 0 H ASN A 50 12.825 -9.039 5.215 1.00 0.00 H new ATOM 0 HA ASN A 50 12.713 -10.250 7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.115 -9.209 7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.766 -10.514 6.721 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.437 -8.659 3.816 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.031 -10.211 4.557 1.00 0.00 H new ATOM 739 N GLY A 51 12.905 -6.953 7.619 1.00 0.00 N ATOM 740 CA GLY A 51 12.698 -5.743 8.394 1.00 0.00 C ATOM 741 C GLY A 51 13.707 -4.662 8.060 1.00 0.00 C ATOM 742 O GLY A 51 14.233 -3.996 8.952 1.00 0.00 O ATOM 0 H GLY A 51 13.126 -6.799 6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.692 -5.366 8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.762 -5.980 9.456 1.00 0.00 H new ATOM 746 N THR A 52 13.979 -4.486 6.771 1.00 0.00 N ATOM 747 CA THR A 52 14.933 -3.480 6.322 1.00 0.00 C ATOM 748 C THR A 52 14.262 -2.447 5.424 1.00 0.00 C ATOM 749 O THR A 52 14.169 -2.633 4.210 1.00 0.00 O ATOM 750 CB THR A 52 16.108 -4.121 5.559 1.00 0.00 C ATOM 751 OG1 THR A 52 16.805 -5.036 6.411 1.00 0.00 O ATOM 752 CG2 THR A 52 17.070 -3.056 5.054 1.00 0.00 C ATOM 0 H THR A 52 13.552 -5.027 6.019 1.00 0.00 H new ATOM 0 HA THR A 52 15.315 -2.987 7.216 1.00 0.00 H new ATOM 0 HB THR A 52 15.705 -4.660 4.702 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.342 -5.900 6.412 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.891 -3.532 4.519 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.543 -2.379 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.466 -2.493 5.899 1.00 0.00 H new ATOM 760 N ARG A 53 13.795 -1.359 6.027 1.00 0.00 N ATOM 761 CA ARG A 53 13.131 -0.297 5.281 1.00 0.00 C ATOM 762 C ARG A 53 13.973 0.134 4.084 1.00 0.00 C ATOM 763 O ARG A 53 15.106 0.589 4.240 1.00 0.00 O ATOM 764 CB ARG A 53 12.865 0.904 6.190 1.00 0.00 C ATOM 765 CG ARG A 53 11.539 0.828 6.928 1.00 0.00 C ATOM 766 CD ARG A 53 10.990 2.213 7.233 1.00 0.00 C ATOM 767 NE ARG A 53 11.437 2.704 8.534 1.00 0.00 N ATOM 768 CZ ARG A 53 12.590 3.336 8.724 1.00 0.00 C ATOM 769 NH1 ARG A 53 13.407 3.553 7.703 1.00 0.00 N ATOM 770 NH2 ARG A 53 12.927 3.753 9.938 1.00 0.00 N ATOM 0 H ARG A 53 13.864 -1.190 7.030 1.00 0.00 H new ATOM 0 HA ARG A 53 12.180 -0.684 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.672 0.983 6.918 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.886 1.814 5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.818 0.274 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.670 0.275 7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.306 2.908 6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.901 2.184 7.211 1.00 0.00 H new ATOM 0 HE ARG A 53 10.831 2.553 9.340 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.151 3.234 6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.292 4.039 7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.301 3.588 10.726 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.812 4.238 10.083 1.00 0.00 H new ATOM 784 N VAL A 54 13.411 -0.013 2.888 1.00 0.00 N ATOM 785 CA VAL A 54 14.109 0.362 1.664 1.00 0.00 C ATOM 786 C VAL A 54 13.749 1.780 1.238 1.00 0.00 C ATOM 787 O VAL A 54 14.614 2.554 0.827 1.00 0.00 O ATOM 788 CB VAL A 54 13.782 -0.607 0.512 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.393 -0.114 -0.791 1.00 0.00 C ATOM 790 CG2 VAL A 54 14.270 -2.010 0.842 1.00 0.00 C ATOM 0 H VAL A 54 12.474 -0.389 2.741 1.00 0.00 H new ATOM 0 HA VAL A 54 15.176 0.311 1.880 1.00 0.00 H new ATOM 0 HB VAL A 54 12.700 -0.643 0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 54 14.151 -0.811 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.991 0.870 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.476 -0.047 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.031 -2.682 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.349 -1.993 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.780 -2.361 1.750 1.00 0.00 H new ATOM 800 N GLN A 55 12.467 2.115 1.339 1.00 0.00 N ATOM 801 CA GLN A 55 11.992 3.442 0.964 1.00 0.00 C ATOM 802 C GLN A 55 10.646 3.742 1.615 1.00 0.00 C ATOM 803 O GLN A 55 9.701 2.964 1.494 1.00 0.00 O ATOM 804 CB GLN A 55 11.873 3.553 -0.557 1.00 0.00 C ATOM 805 CG GLN A 55 10.591 2.953 -1.112 1.00 0.00 C ATOM 806 CD GLN A 55 9.473 3.970 -1.227 1.00 0.00 C ATOM 807 OE1 GLN A 55 8.603 4.054 -0.359 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.490 4.750 -2.301 1.00 0.00 N ATOM 0 H GLN A 55 11.739 1.486 1.677 1.00 0.00 H new ATOM 0 HA GLN A 55 12.717 4.174 1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.925 4.604 -0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.726 3.055 -1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.790 2.525 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.268 2.135 -0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.230 4.646 -2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.763 5.453 -2.432 1.00 0.00 H new ATOM 817 N GLU A 56 10.567 4.876 2.304 1.00 0.00 N ATOM 818 CA GLU A 56 9.336 5.278 2.974 1.00 0.00 C ATOM 819 C GLU A 56 8.800 6.582 2.391 1.00 0.00 C ATOM 820 O GLU A 56 9.567 7.473 2.027 1.00 0.00 O ATOM 821 CB GLU A 56 9.577 5.440 4.477 1.00 0.00 C ATOM 822 CG GLU A 56 10.237 6.756 4.849 1.00 0.00 C ATOM 823 CD GLU A 56 11.091 6.648 6.098 1.00 0.00 C ATOM 824 OE1 GLU A 56 10.521 6.662 7.209 1.00 0.00 O ATOM 825 OE2 GLU A 56 12.329 6.548 5.964 1.00 0.00 O ATOM 0 H GLU A 56 11.340 5.532 2.413 1.00 0.00 H new ATOM 0 HA GLU A 56 8.594 4.496 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.624 5.361 5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.202 4.618 4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.856 7.095 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.468 7.513 5.003 1.00 0.00 H new ATOM 832 N GLU A 57 7.477 6.686 2.305 1.00 0.00 N ATOM 833 CA GLU A 57 6.838 7.880 1.765 1.00 0.00 C ATOM 834 C GLU A 57 5.608 8.257 2.585 1.00 0.00 C ATOM 835 O GLU A 57 4.558 7.620 2.506 1.00 0.00 O ATOM 836 CB GLU A 57 6.441 7.656 0.304 1.00 0.00 C ATOM 837 CG GLU A 57 6.618 8.886 -0.570 1.00 0.00 C ATOM 838 CD GLU A 57 6.500 10.180 0.213 1.00 0.00 C ATOM 839 OE1 GLU A 57 5.386 10.490 0.683 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.524 10.881 0.355 1.00 0.00 O ATOM 0 H GLU A 57 6.828 5.958 2.602 1.00 0.00 H new ATOM 0 HA GLU A 57 7.554 8.700 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.038 6.841 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.399 7.339 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.594 8.846 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.869 8.875 -1.362 1.00 0.00 H new ATOM 847 N PRO A 58 5.740 9.320 3.394 1.00 0.00 N ATOM 848 CA PRO A 58 4.651 9.807 4.245 1.00 0.00 C ATOM 849 C PRO A 58 3.522 10.438 3.437 1.00 0.00 C ATOM 850 O PRO A 58 2.345 10.219 3.721 1.00 0.00 O ATOM 851 CB PRO A 58 5.331 10.858 5.125 1.00 0.00 C ATOM 852 CG PRO A 58 6.500 11.321 4.327 1.00 0.00 C ATOM 853 CD PRO A 58 6.963 10.127 3.539 1.00 0.00 C ATOM 0 HA PRO A 58 4.181 9.000 4.807 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.655 11.682 5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.646 10.433 6.078 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.221 12.141 3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.293 11.692 4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.370 10.418 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.746 9.579 4.062 1.00 0.00 H new ATOM 861 N GLU A 59 3.890 11.223 2.429 1.00 0.00 N ATOM 862 CA GLU A 59 2.906 11.887 1.580 1.00 0.00 C ATOM 863 C GLU A 59 2.933 11.314 0.166 1.00 0.00 C ATOM 864 O GLU A 59 3.397 11.965 -0.771 1.00 0.00 O ATOM 865 CB GLU A 59 3.171 13.393 1.537 1.00 0.00 C ATOM 866 CG GLU A 59 2.096 14.179 0.805 1.00 0.00 C ATOM 867 CD GLU A 59 2.308 15.678 0.893 1.00 0.00 C ATOM 868 OE1 GLU A 59 2.465 16.191 2.020 1.00 0.00 O ATOM 869 OE2 GLU A 59 2.316 16.338 -0.168 1.00 0.00 O ATOM 0 H GLU A 59 4.860 11.415 2.180 1.00 0.00 H new ATOM 0 HA GLU A 59 1.918 11.711 2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.253 13.768 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.132 13.571 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.081 13.879 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.121 13.929 1.222 1.00 0.00 H new ATOM 876 N LEU A 60 2.434 10.092 0.020 1.00 0.00 N ATOM 877 CA LEU A 60 2.401 9.430 -1.280 1.00 0.00 C ATOM 878 C LEU A 60 1.122 9.777 -2.035 1.00 0.00 C ATOM 879 O LEU A 60 0.017 9.564 -1.538 1.00 0.00 O ATOM 880 CB LEU A 60 2.506 7.914 -1.104 1.00 0.00 C ATOM 881 CG LEU A 60 2.149 7.070 -2.328 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.648 7.096 -2.574 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.901 7.564 -3.555 1.00 0.00 C ATOM 0 H LEU A 60 2.047 9.539 0.785 1.00 0.00 H new ATOM 0 HA LEU A 60 3.252 9.783 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.526 7.673 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.855 7.618 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 60 2.448 6.040 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.412 6.490 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.130 6.694 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.325 8.123 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.634 6.951 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.634 8.602 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.974 7.493 -3.377 1.00 0.00 H new ATOM 895 N VAL A 61 1.281 10.313 -3.242 1.00 0.00 N ATOM 896 CA VAL A 61 0.140 10.687 -4.068 1.00 0.00 C ATOM 897 C VAL A 61 0.217 10.031 -5.442 1.00 0.00 C ATOM 898 O VAL A 61 1.304 9.807 -5.974 1.00 0.00 O ATOM 899 CB VAL A 61 0.052 12.215 -4.246 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.265 12.735 -5.003 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.235 12.595 -4.961 1.00 0.00 C ATOM 0 H VAL A 61 2.189 10.497 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.753 10.336 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 61 0.043 12.678 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.185 13.816 -5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.171 12.496 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.309 12.267 -5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.280 13.678 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.259 12.123 -5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.090 12.257 -4.375 1.00 0.00 H new ATOM 911 N PHE A 62 -0.944 9.724 -6.011 1.00 0.00 N ATOM 912 CA PHE A 62 -1.009 9.092 -7.323 1.00 0.00 C ATOM 913 C PHE A 62 -2.429 9.138 -7.880 1.00 0.00 C ATOM 914 O PHE A 62 -3.364 9.556 -7.196 1.00 0.00 O ATOM 915 CB PHE A 62 -0.530 7.641 -7.238 1.00 0.00 C ATOM 916 CG PHE A 62 -1.471 6.741 -6.490 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.700 6.400 -7.030 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.126 6.237 -5.247 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.569 5.573 -6.344 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.991 5.408 -4.555 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.213 5.075 -5.105 1.00 0.00 C ATOM 0 H PHE A 62 -1.853 9.903 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.355 9.645 -7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.394 7.252 -8.247 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.446 7.617 -6.753 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.983 6.785 -7.999 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.171 6.494 -4.813 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.525 5.316 -6.776 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.711 5.022 -3.586 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.889 4.427 -4.568 1.00 0.00 H new ATOM 931 N THR A 63 -2.584 8.705 -9.127 1.00 0.00 N ATOM 932 CA THR A 63 -3.888 8.699 -9.778 1.00 0.00 C ATOM 933 C THR A 63 -4.457 7.286 -9.854 1.00 0.00 C ATOM 934 O THR A 63 -4.078 6.500 -10.723 1.00 0.00 O ATOM 935 CB THR A 63 -3.810 9.286 -11.200 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.340 10.637 -11.146 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.171 9.243 -11.878 1.00 0.00 C ATOM 0 H THR A 63 -1.822 8.354 -9.707 1.00 0.00 H new ATOM 0 HA THR A 63 -4.546 9.322 -9.172 1.00 0.00 H new ATOM 0 HB THR A 63 -3.113 8.682 -11.782 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.291 11.003 -12.054 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.091 9.663 -12.881 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.513 8.210 -11.943 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.886 9.826 -11.297 1.00 0.00 H new ATOM 945 N LEU A 64 -5.368 6.971 -8.941 1.00 0.00 N ATOM 946 CA LEU A 64 -5.991 5.652 -8.905 1.00 0.00 C ATOM 947 C LEU A 64 -6.513 5.258 -10.283 1.00 0.00 C ATOM 948 O LEU A 64 -7.018 6.096 -11.029 1.00 0.00 O ATOM 949 CB LEU A 64 -7.135 5.634 -7.890 1.00 0.00 C ATOM 950 CG LEU A 64 -7.740 4.263 -7.585 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.670 3.307 -7.082 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.865 4.390 -6.568 1.00 0.00 C ATOM 0 H LEU A 64 -5.692 7.610 -8.215 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.234 4.928 -8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.773 6.065 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.928 6.286 -8.255 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.155 3.858 -8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.119 2.337 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.899 3.191 -7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.224 3.707 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.283 3.405 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.474 4.817 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.644 5.039 -6.967 1.00 0.00 H new ATOM 964 N GLY A 65 -6.388 3.977 -10.614 1.00 0.00 N ATOM 965 CA GLY A 65 -6.853 3.494 -11.901 1.00 0.00 C ATOM 966 C GLY A 65 -5.751 3.463 -12.942 1.00 0.00 C ATOM 967 O GLY A 65 -5.855 2.757 -13.945 1.00 0.00 O ATOM 0 H GLY A 65 -5.973 3.265 -10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.265 2.492 -11.782 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.664 4.132 -12.254 1.00 0.00 H new ATOM 971 N ASP A 66 -4.693 4.230 -12.704 1.00 0.00 N ATOM 972 CA ASP A 66 -3.567 4.288 -13.628 1.00 0.00 C ATOM 973 C ASP A 66 -2.433 3.380 -13.161 1.00 0.00 C ATOM 974 O ASP A 66 -1.402 3.268 -13.825 1.00 0.00 O ATOM 975 CB ASP A 66 -3.063 5.726 -13.763 1.00 0.00 C ATOM 976 CG ASP A 66 -3.885 6.537 -14.745 1.00 0.00 C ATOM 977 OD1 ASP A 66 -5.131 6.470 -14.676 1.00 0.00 O ATOM 978 OD2 ASP A 66 -3.283 7.240 -15.583 1.00 0.00 O ATOM 0 H ASP A 66 -4.592 4.820 -11.878 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.910 3.939 -14.602 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.087 6.210 -12.787 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.022 5.714 -14.087 1.00 0.00 H new ATOM 983 N CYS A 67 -2.631 2.737 -12.016 1.00 0.00 N ATOM 984 CA CYS A 67 -1.624 1.841 -11.459 1.00 0.00 C ATOM 985 C CYS A 67 -0.237 2.470 -11.530 1.00 0.00 C ATOM 986 O CYS A 67 0.753 1.787 -11.797 1.00 0.00 O ATOM 987 CB CYS A 67 -1.631 0.505 -12.205 1.00 0.00 C ATOM 988 SG CYS A 67 -3.208 -0.375 -12.129 1.00 0.00 S ATOM 0 H CYS A 67 -3.479 2.819 -11.455 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.869 1.665 -10.412 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.377 0.683 -13.250 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.851 -0.134 -11.792 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.115 -1.490 -12.790 1.00 0.00 H new ATOM 994 N ASP A 68 -0.172 3.775 -11.293 1.00 0.00 N ATOM 995 CA ASP A 68 1.094 4.498 -11.331 1.00 0.00 C ATOM 996 C ASP A 68 2.005 4.059 -10.188 1.00 0.00 C ATOM 997 O ASP A 68 3.223 4.227 -10.251 1.00 0.00 O ATOM 998 CB ASP A 68 0.848 6.005 -11.253 1.00 0.00 C ATOM 999 CG ASP A 68 0.618 6.625 -12.617 1.00 0.00 C ATOM 1000 OD1 ASP A 68 1.492 6.470 -13.495 1.00 0.00 O ATOM 1001 OD2 ASP A 68 -0.438 7.264 -12.807 1.00 0.00 O ATOM 0 H ASP A 68 -0.982 4.355 -11.072 1.00 0.00 H new ATOM 0 HA ASP A 68 1.588 4.267 -12.275 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.018 6.197 -10.619 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.703 6.486 -10.778 1.00 0.00 H new ATOM 1006 N VAL A 69 1.406 3.496 -9.143 1.00 0.00 N ATOM 1007 CA VAL A 69 2.162 3.033 -7.986 1.00 0.00 C ATOM 1008 C VAL A 69 2.274 1.512 -7.975 1.00 0.00 C ATOM 1009 O VAL A 69 1.831 0.841 -8.908 1.00 0.00 O ATOM 1010 CB VAL A 69 1.514 3.498 -6.669 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.608 5.010 -6.532 1.00 0.00 C ATOM 1012 CG2 VAL A 69 0.066 3.038 -6.596 1.00 0.00 C ATOM 0 H VAL A 69 0.399 3.350 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 69 3.159 3.467 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 69 2.057 3.047 -5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.145 5.320 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.656 5.311 -6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.091 5.484 -7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.376 3.375 -5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.492 3.459 -7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.027 1.950 -6.644 1.00 0.00 H new ATOM 1022 N ILE A 70 2.867 0.976 -6.914 1.00 0.00 N ATOM 1023 CA ILE A 70 3.035 -0.466 -6.781 1.00 0.00 C ATOM 1024 C ILE A 70 1.719 -1.198 -7.025 1.00 0.00 C ATOM 1025 O ILE A 70 0.649 -0.701 -6.676 1.00 0.00 O ATOM 1026 CB ILE A 70 3.569 -0.844 -5.387 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.696 0.105 -4.974 1.00 0.00 C ATOM 1028 CG2 ILE A 70 4.054 -2.286 -5.379 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.731 0.322 -6.056 1.00 0.00 C ATOM 0 H ILE A 70 3.239 1.518 -6.134 1.00 0.00 H new ATOM 0 HA ILE A 70 3.762 -0.770 -7.534 1.00 0.00 H new ATOM 0 HB ILE A 70 2.758 -0.750 -4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.266 1.067 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.188 -0.293 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.428 -2.538 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.228 -2.949 -5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.854 -2.405 -6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.499 1.005 -5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.189 -0.632 -6.318 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.252 0.749 -6.937 1.00 0.00 H new ATOM 1041 N GLN A 71 1.809 -2.380 -7.625 1.00 0.00 N ATOM 1042 CA GLN A 71 0.625 -3.181 -7.914 1.00 0.00 C ATOM 1043 C GLN A 71 -0.007 -3.702 -6.627 1.00 0.00 C ATOM 1044 O GLN A 71 -1.135 -4.195 -6.633 1.00 0.00 O ATOM 1045 CB GLN A 71 0.986 -4.352 -8.829 1.00 0.00 C ATOM 1046 CG GLN A 71 0.906 -4.014 -10.309 1.00 0.00 C ATOM 1047 CD GLN A 71 1.005 -5.241 -11.194 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.067 -5.854 -11.308 1.00 0.00 O ATOM 1049 NE2 GLN A 71 -0.104 -5.606 -11.827 1.00 0.00 N ATOM 0 H GLN A 71 2.688 -2.804 -7.920 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.099 -2.543 -8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.997 -4.687 -8.595 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.317 -5.186 -8.619 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.034 -3.501 -10.510 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.708 -3.321 -10.564 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.962 -5.069 -11.703 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.098 -6.424 -12.437 1.00 0.00 H new ATOM 1058 N ALA A 72 0.728 -3.591 -5.525 1.00 0.00 N ATOM 1059 CA ALA A 72 0.238 -4.050 -4.231 1.00 0.00 C ATOM 1060 C ALA A 72 -0.431 -2.915 -3.464 1.00 0.00 C ATOM 1061 O ALA A 72 -1.121 -3.146 -2.470 1.00 0.00 O ATOM 1062 CB ALA A 72 1.378 -4.641 -3.415 1.00 0.00 C ATOM 0 H ALA A 72 1.664 -3.187 -5.503 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.509 -4.825 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.998 -4.980 -2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.810 -5.486 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.144 -3.882 -3.257 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.224 -1.688 -3.931 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.808 -0.516 -3.287 1.00 0.00 C ATOM 1070 C LEU A 73 -2.059 -0.055 -4.028 1.00 0.00 C ATOM 1071 O LEU A 73 -3.099 0.191 -3.417 1.00 0.00 O ATOM 1072 CB LEU A 73 0.214 0.621 -3.231 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.356 2.026 -3.038 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -0.921 2.185 -1.635 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.712 3.077 -3.307 1.00 0.00 C ATOM 0 H LEU A 73 0.343 -1.479 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.091 -0.792 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.910 0.418 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.792 0.609 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.167 2.169 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.322 3.191 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.716 1.456 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.130 2.021 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.288 4.071 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.544 2.935 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.070 2.978 -4.332 1.00 0.00 H new ATOM 1087 N ASP A 74 -1.951 0.058 -5.347 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.074 0.487 -6.173 1.00 0.00 C ATOM 1089 C ASP A 74 -4.183 -0.561 -6.167 1.00 0.00 C ATOM 1090 O ASP A 74 -5.358 -0.238 -6.344 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.611 0.749 -7.606 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.455 1.796 -8.306 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -4.528 1.436 -8.834 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -3.043 2.975 -8.325 1.00 0.00 O ATOM 0 H ASP A 74 -1.097 -0.142 -5.868 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.469 1.412 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.571 1.074 -7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.648 -0.181 -8.172 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.802 -1.817 -5.964 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.764 -2.914 -5.936 1.00 0.00 C ATOM 1101 C LEU A 75 -5.390 -3.054 -4.552 1.00 0.00 C ATOM 1102 O LEU A 75 -6.279 -3.879 -4.343 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.085 -4.224 -6.337 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.758 -4.384 -7.822 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.086 -3.130 -8.359 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.873 -5.602 -8.046 1.00 0.00 C ATOM 0 H LEU A 75 -2.834 -2.102 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.556 -2.689 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.159 -4.318 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.729 -5.050 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.691 -4.533 -8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.861 -3.263 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.754 -2.278 -8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.161 -2.950 -7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.651 -5.700 -9.109 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.943 -5.483 -7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.391 -6.497 -7.700 1.00 0.00 H new ATOM 1118 N SER A 76 -4.920 -2.242 -3.611 1.00 0.00 N ATOM 1119 CA SER A 76 -5.432 -2.277 -2.246 1.00 0.00 C ATOM 1120 C SER A 76 -6.093 -0.951 -1.880 1.00 0.00 C ATOM 1121 O SER A 76 -7.012 -0.908 -1.062 1.00 0.00 O ATOM 1122 CB SER A 76 -4.302 -2.585 -1.262 1.00 0.00 C ATOM 1123 OG SER A 76 -3.506 -1.438 -1.024 1.00 0.00 O ATOM 0 H SER A 76 -4.186 -1.552 -3.769 1.00 0.00 H new ATOM 0 HA SER A 76 -6.181 -3.066 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.722 -2.942 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.680 -3.388 -1.658 1.00 0.00 H new ATOM 0 HG SER A 76 -3.389 -0.941 -1.861 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.617 0.129 -2.491 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.161 1.456 -2.232 1.00 0.00 C ATOM 1131 C VAL A 77 -7.680 1.463 -2.360 1.00 0.00 C ATOM 1132 O VAL A 77 -8.404 1.846 -1.441 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.571 2.503 -3.195 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.576 3.614 -3.458 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.273 3.068 -2.638 1.00 0.00 C ATOM 0 H VAL A 77 -4.855 0.111 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.884 1.716 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.350 2.014 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.141 4.344 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.477 3.192 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.832 4.103 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.870 3.806 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.466 3.542 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.552 2.261 -2.507 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.177 1.028 -3.528 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.615 0.972 -3.805 1.00 0.00 C ATOM 1147 C PRO A 78 -10.321 -0.106 -2.990 1.00 0.00 C ATOM 1148 O PRO A 78 -11.519 -0.340 -3.157 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.677 0.641 -5.298 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.394 -0.059 -5.584 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.372 0.556 -4.668 1.00 0.00 C ATOM 0 HA PRO A 78 -10.117 1.902 -3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.534 0.007 -5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.778 1.544 -5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.485 -1.130 -5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.107 0.065 -6.628 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.622 -0.171 -4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.840 1.376 -5.151 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.573 -0.761 -2.110 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.127 -1.816 -1.268 1.00 0.00 C ATOM 1161 C LEU A 79 -10.100 -1.411 0.202 1.00 0.00 C ATOM 1162 O LEU A 79 -10.282 -2.244 1.089 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.346 -3.116 -1.465 1.00 0.00 C ATOM 1164 CG LEU A 79 -9.103 -3.541 -2.914 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.423 -4.900 -2.966 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.413 -3.568 -3.688 1.00 0.00 C ATOM 0 H LEU A 79 -8.580 -0.580 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.164 -1.974 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.380 -3.014 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.881 -3.918 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.443 -2.810 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.259 -5.185 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.465 -4.848 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.057 -5.643 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.221 -3.872 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.097 -4.277 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.860 -2.574 -3.681 1.00 0.00 H new ATOM 1178 N MET A 80 -9.874 -0.125 0.452 1.00 0.00 N ATOM 1179 CA MET A 80 -9.826 0.391 1.815 1.00 0.00 C ATOM 1180 C MET A 80 -10.712 1.625 1.960 1.00 0.00 C ATOM 1181 O MET A 80 -10.968 2.334 0.987 1.00 0.00 O ATOM 1182 CB MET A 80 -8.387 0.734 2.204 1.00 0.00 C ATOM 1183 CG MET A 80 -7.625 1.478 1.119 1.00 0.00 C ATOM 1184 SD MET A 80 -6.118 2.253 1.735 1.00 0.00 S ATOM 1185 CE MET A 80 -6.046 1.580 3.394 1.00 0.00 C ATOM 0 H MET A 80 -9.721 0.578 -0.271 1.00 0.00 H new ATOM 0 HA MET A 80 -10.200 -0.385 2.484 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.399 1.341 3.109 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.855 -0.187 2.444 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.371 0.784 0.318 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.271 2.242 0.686 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.097 1.851 3.856 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.867 1.984 3.987 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.131 0.494 3.350 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.176 1.874 3.180 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.032 3.023 3.452 1.00 0.00 C ATOM 1197 C ASP A 81 -11.207 4.217 3.921 1.00 0.00 C ATOM 1198 O ASP A 81 -10.209 4.058 4.624 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.080 2.666 4.507 1.00 0.00 C ATOM 1200 CG ASP A 81 -13.535 1.223 4.406 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -13.735 0.741 3.271 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -13.691 0.575 5.463 1.00 0.00 O ATOM 0 H ASP A 81 -10.974 1.296 3.996 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.538 3.295 2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.667 2.845 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.942 3.324 4.396 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.629 5.413 3.525 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.929 6.635 3.904 1.00 0.00 C ATOM 1209 C VAL A 82 -10.873 6.788 5.420 1.00 0.00 C ATOM 1210 O VAL A 82 -11.869 7.127 6.057 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.604 7.880 3.298 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -13.118 7.736 3.331 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -11.164 9.136 4.034 1.00 0.00 C ATOM 0 H VAL A 82 -12.452 5.562 2.942 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.915 6.554 3.512 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.294 7.969 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.578 8.625 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.413 6.859 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.450 7.621 4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.651 10.006 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.443 9.059 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.083 9.245 3.953 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.699 6.536 5.991 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.534 6.652 7.429 1.00 0.00 C ATOM 1225 C GLY A 83 -9.125 5.342 8.073 1.00 0.00 C ATOM 1226 O GLY A 83 -8.896 5.282 9.280 1.00 0.00 O ATOM 0 H GLY A 83 -8.860 6.254 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.781 7.410 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.469 6.995 7.872 1.00 0.00 H new ATOM 1230 N GLU A 84 -9.034 4.290 7.265 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.652 2.975 7.765 1.00 0.00 C ATOM 1232 C GLU A 84 -7.241 2.610 7.313 1.00 0.00 C ATOM 1233 O GLU A 84 -6.833 2.925 6.195 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.644 1.914 7.283 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.012 0.552 7.048 1.00 0.00 C ATOM 1236 CD GLU A 84 -8.558 0.359 5.614 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -9.424 0.139 4.741 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -7.336 0.429 5.364 1.00 0.00 O ATOM 0 H GLU A 84 -9.219 4.323 6.263 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.668 3.010 8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.441 1.813 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.107 2.255 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.158 0.432 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.730 -0.227 7.306 1.00 0.00 H new ATOM 1245 N THR A 85 -6.499 1.943 8.192 1.00 0.00 N ATOM 1246 CA THR A 85 -5.133 1.537 7.886 1.00 0.00 C ATOM 1247 C THR A 85 -5.055 0.041 7.600 1.00 0.00 C ATOM 1248 O THR A 85 -5.351 -0.782 8.466 1.00 0.00 O ATOM 1249 CB THR A 85 -4.173 1.878 9.042 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.213 3.283 9.314 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.750 1.462 8.703 1.00 0.00 C ATOM 0 H THR A 85 -6.821 1.673 9.121 1.00 0.00 H new ATOM 0 HA THR A 85 -4.830 2.090 6.997 1.00 0.00 H new ATOM 0 HB THR A 85 -4.495 1.328 9.927 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.601 3.491 10.051 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.090 1.713 9.534 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.718 0.387 8.525 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.421 1.988 7.807 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.656 -0.304 6.381 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.537 -1.701 5.982 1.00 0.00 C ATOM 1261 C ALA A 86 -3.137 -2.005 5.460 1.00 0.00 C ATOM 1262 O ALA A 86 -2.448 -1.121 4.951 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.580 -2.040 4.929 1.00 0.00 C ATOM 0 H ALA A 86 -4.409 0.365 5.652 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.711 -2.320 6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.479 -3.086 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.577 -1.870 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.433 -1.407 4.054 1.00 0.00 H new ATOM 1269 N MET A 87 -2.722 -3.261 5.591 1.00 0.00 N ATOM 1270 CA MET A 87 -1.403 -3.682 5.131 1.00 0.00 C ATOM 1271 C MET A 87 -1.517 -4.582 3.905 1.00 0.00 C ATOM 1272 O MET A 87 -2.549 -5.213 3.679 1.00 0.00 O ATOM 1273 CB MET A 87 -0.660 -4.414 6.250 1.00 0.00 C ATOM 1274 CG MET A 87 0.620 -5.091 5.786 1.00 0.00 C ATOM 1275 SD MET A 87 1.749 -5.446 7.147 1.00 0.00 S ATOM 1276 CE MET A 87 2.639 -3.896 7.263 1.00 0.00 C ATOM 0 H MET A 87 -3.279 -4.005 6.012 1.00 0.00 H new ATOM 0 HA MET A 87 -0.840 -2.791 4.854 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.420 -3.704 7.041 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.321 -5.164 6.685 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.370 -6.020 5.274 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.122 -4.452 5.060 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.376 -3.959 8.063 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.145 -3.695 6.319 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.938 -3.089 7.478 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.448 -4.636 3.115 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.428 -5.460 1.913 1.00 0.00 C ATOM 1288 C VAL A 88 0.925 -6.140 1.735 1.00 0.00 C ATOM 1289 O VAL A 88 1.970 -5.491 1.784 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.739 -4.626 0.656 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.075 -3.913 0.805 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.379 -3.629 0.388 1.00 0.00 C ATOM 0 H VAL A 88 0.414 -4.119 3.287 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.200 -6.219 2.037 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.807 -5.300 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.278 -3.329 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.867 -4.649 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.039 -3.250 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.143 -3.048 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.481 -2.958 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.315 -4.165 0.234 1.00 0.00 H new ATOM 1302 N THR A 89 0.898 -7.453 1.528 1.00 0.00 N ATOM 1303 CA THR A 89 2.122 -8.223 1.344 1.00 0.00 C ATOM 1304 C THR A 89 2.067 -9.044 0.061 1.00 0.00 C ATOM 1305 O THR A 89 1.443 -10.104 0.017 1.00 0.00 O ATOM 1306 CB THR A 89 2.376 -9.167 2.534 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.177 -9.880 2.858 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.854 -8.388 3.750 1.00 0.00 C ATOM 0 H THR A 89 0.042 -8.005 1.484 1.00 0.00 H new ATOM 0 HA THR A 89 2.940 -7.506 1.278 1.00 0.00 H new ATOM 0 HB THR A 89 3.153 -9.876 2.248 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.841 -10.335 2.058 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.027 -9.076 4.578 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.782 -7.870 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.096 -7.659 4.036 1.00 0.00 H new ATOM 1316 N ALA A 90 2.725 -8.548 -0.982 1.00 0.00 N ATOM 1317 CA ALA A 90 2.753 -9.238 -2.266 1.00 0.00 C ATOM 1318 C ALA A 90 4.176 -9.635 -2.644 1.00 0.00 C ATOM 1319 O ALA A 90 5.139 -9.226 -1.995 1.00 0.00 O ATOM 1320 CB ALA A 90 2.141 -8.363 -3.349 1.00 0.00 C ATOM 0 H ALA A 90 3.246 -7.671 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 90 2.162 -10.149 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.169 -8.891 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.107 -8.134 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.708 -7.436 -3.431 1.00 0.00 H new ATOM 1326 N ASP A 91 4.301 -10.435 -3.698 1.00 0.00 N ATOM 1327 CA ASP A 91 5.607 -10.887 -4.163 1.00 0.00 C ATOM 1328 C ASP A 91 6.323 -9.781 -4.933 1.00 0.00 C ATOM 1329 O ASP A 91 5.685 -8.912 -5.528 1.00 0.00 O ATOM 1330 CB ASP A 91 5.456 -12.125 -5.048 1.00 0.00 C ATOM 1331 CG ASP A 91 6.698 -12.402 -5.873 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.813 -12.268 -5.329 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.554 -12.752 -7.064 1.00 0.00 O ATOM 0 H ASP A 91 3.514 -10.783 -4.246 1.00 0.00 H new ATOM 0 HA ASP A 91 6.207 -11.144 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.238 -12.991 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.604 -11.990 -5.714 1.00 0.00 H new ATOM 1338 N SER A 92 7.651 -9.819 -4.915 1.00 0.00 N ATOM 1339 CA SER A 92 8.454 -8.817 -5.607 1.00 0.00 C ATOM 1340 C SER A 92 7.921 -8.572 -7.016 1.00 0.00 C ATOM 1341 O SER A 92 8.075 -7.484 -7.570 1.00 0.00 O ATOM 1342 CB SER A 92 9.917 -9.262 -5.673 1.00 0.00 C ATOM 1343 OG SER A 92 10.733 -8.248 -6.233 1.00 0.00 O ATOM 0 H SER A 92 8.194 -10.533 -4.429 1.00 0.00 H new ATOM 0 HA SER A 92 8.390 -7.885 -5.046 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.271 -9.507 -4.672 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.998 -10.170 -6.271 1.00 0.00 H new ATOM 0 HG SER A 92 10.829 -8.400 -7.196 1.00 0.00 H new ATOM 1349 N LYS A 93 7.293 -9.593 -7.589 1.00 0.00 N ATOM 1350 CA LYS A 93 6.735 -9.491 -8.933 1.00 0.00 C ATOM 1351 C LYS A 93 5.725 -8.351 -9.017 1.00 0.00 C ATOM 1352 O LYS A 93 5.674 -7.626 -10.011 1.00 0.00 O ATOM 1353 CB LYS A 93 6.067 -10.809 -9.331 1.00 0.00 C ATOM 1354 CG LYS A 93 4.696 -11.009 -8.707 1.00 0.00 C ATOM 1355 CD LYS A 93 3.955 -12.169 -9.350 1.00 0.00 C ATOM 1356 CE LYS A 93 4.663 -13.491 -9.097 1.00 0.00 C ATOM 1357 NZ LYS A 93 4.446 -13.980 -7.707 1.00 0.00 N ATOM 0 H LYS A 93 7.157 -10.501 -7.144 1.00 0.00 H new ATOM 0 HA LYS A 93 7.551 -9.281 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.972 -10.845 -10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.714 -11.637 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.805 -11.193 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.109 -10.097 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.940 -12.217 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.872 -11.999 -10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.302 -14.237 -9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.731 -13.371 -9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.359 -14.036 -7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.819 -13.322 -7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.009 -14.923 -7.735 1.00 0.00 H new ATOM 1371 N TYR A 94 4.925 -8.197 -7.968 1.00 0.00 N ATOM 1372 CA TYR A 94 3.916 -7.145 -7.925 1.00 0.00 C ATOM 1373 C TYR A 94 4.509 -5.842 -7.397 1.00 0.00 C ATOM 1374 O TYR A 94 3.947 -4.765 -7.597 1.00 0.00 O ATOM 1375 CB TYR A 94 2.739 -7.575 -7.048 1.00 0.00 C ATOM 1376 CG TYR A 94 1.979 -8.763 -7.593 1.00 0.00 C ATOM 1377 CD1 TYR A 94 1.115 -8.623 -8.673 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.124 -10.024 -7.029 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.418 -9.706 -9.174 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.433 -11.112 -7.525 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.581 -10.948 -8.597 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.111 -12.029 -9.093 1.00 0.00 O ATOM 0 H TYR A 94 4.955 -8.787 -7.136 1.00 0.00 H new ATOM 0 HA TYR A 94 3.561 -6.975 -8.941 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.109 -7.817 -6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.053 -6.735 -6.938 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.986 -7.652 -9.128 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.789 -10.156 -6.188 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.251 -9.580 -10.013 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.559 -12.086 -7.076 1.00 0.00 H new ATOM 0 HH TYR A 94 0.117 -12.829 -8.575 1.00 0.00 H new ATOM 1392 N CYS A 95 5.648 -5.950 -6.721 1.00 0.00 N ATOM 1393 CA CYS A 95 6.319 -4.781 -6.163 1.00 0.00 C ATOM 1394 C CYS A 95 7.140 -4.064 -7.231 1.00 0.00 C ATOM 1395 O CYS A 95 6.844 -2.926 -7.596 1.00 0.00 O ATOM 1396 CB CYS A 95 7.221 -5.193 -4.999 1.00 0.00 C ATOM 1397 SG CYS A 95 6.344 -5.981 -3.629 1.00 0.00 S ATOM 0 H CYS A 95 6.126 -6.834 -6.546 1.00 0.00 H new ATOM 0 HA CYS A 95 5.556 -4.095 -5.796 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.984 -5.877 -5.369 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.739 -4.310 -4.625 1.00 0.00 H new ATOM 0 HG CYS A 95 5.912 -7.148 -4.004 1.00 0.00 H new ATOM 1403 N TYR A 96 8.173 -4.737 -7.725 1.00 0.00 N ATOM 1404 CA TYR A 96 9.040 -4.163 -8.748 1.00 0.00 C ATOM 1405 C TYR A 96 9.219 -5.129 -9.915 1.00 0.00 C ATOM 1406 O TYR A 96 9.252 -4.720 -11.075 1.00 0.00 O ATOM 1407 CB TYR A 96 10.403 -3.809 -8.150 1.00 0.00 C ATOM 1408 CG TYR A 96 10.364 -2.623 -7.213 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.875 -2.751 -5.919 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.816 -1.375 -7.622 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.837 -1.670 -5.060 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.783 -0.288 -6.769 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.292 -0.441 -5.489 1.00 0.00 C ATOM 1414 OH TYR A 96 10.257 0.638 -4.636 1.00 0.00 O ATOM 0 H TYR A 96 8.431 -5.680 -7.434 1.00 0.00 H new ATOM 0 HA TYR A 96 8.567 -3.255 -9.122 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.790 -4.674 -7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 96 11.102 -3.599 -8.960 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.519 -3.712 -5.579 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.200 -1.252 -8.624 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.453 -1.787 -4.057 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.139 0.675 -7.103 1.00 0.00 H new ATOM 0 HH TYR A 96 10.615 1.428 -5.093 1.00 0.00 H new ATOM 1424 N GLY A 97 9.334 -6.415 -9.598 1.00 0.00 N ATOM 1425 CA GLY A 97 9.508 -7.421 -10.630 1.00 0.00 C ATOM 1426 C GLY A 97 10.595 -8.420 -10.288 1.00 0.00 C ATOM 1427 O GLY A 97 11.442 -8.179 -9.428 1.00 0.00 O ATOM 0 H GLY A 97 9.310 -6.778 -8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.567 -7.950 -10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.752 -6.932 -11.573 1.00 0.00 H new ATOM 1431 N PRO A 98 10.579 -9.575 -10.971 1.00 0.00 N ATOM 1432 CA PRO A 98 11.563 -10.638 -10.752 1.00 0.00 C ATOM 1433 C PRO A 98 12.953 -10.252 -11.245 1.00 0.00 C ATOM 1434 O PRO A 98 13.892 -11.045 -11.166 1.00 0.00 O ATOM 1435 CB PRO A 98 11.011 -11.808 -11.570 1.00 0.00 C ATOM 1436 CG PRO A 98 10.182 -11.169 -12.631 1.00 0.00 C ATOM 1437 CD PRO A 98 9.598 -9.930 -12.011 1.00 0.00 C ATOM 0 HA PRO A 98 11.690 -10.863 -9.693 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.815 -12.404 -12.001 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.414 -12.478 -10.951 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.788 -10.921 -13.503 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.396 -11.843 -12.971 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.481 -9.131 -12.743 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.612 -10.119 -11.586 1.00 0.00 H new ATOM 1445 N GLN A 99 13.077 -9.030 -11.754 1.00 0.00 N ATOM 1446 CA GLN A 99 14.354 -8.541 -12.260 1.00 0.00 C ATOM 1447 C GLN A 99 15.015 -7.603 -11.255 1.00 0.00 C ATOM 1448 O GLN A 99 16.238 -7.470 -11.226 1.00 0.00 O ATOM 1449 CB GLN A 99 14.154 -7.818 -13.594 1.00 0.00 C ATOM 1450 CG GLN A 99 13.371 -6.521 -13.472 1.00 0.00 C ATOM 1451 CD GLN A 99 12.799 -6.058 -14.797 1.00 0.00 C ATOM 1452 OE1 GLN A 99 13.302 -6.415 -15.863 1.00 0.00 O ATOM 1453 NE2 GLN A 99 11.740 -5.258 -14.738 1.00 0.00 N ATOM 0 H GLN A 99 12.310 -8.362 -11.827 1.00 0.00 H new ATOM 0 HA GLN A 99 15.008 -9.399 -12.413 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.129 -7.604 -14.031 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.634 -8.483 -14.284 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.559 -6.657 -12.758 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.022 -5.744 -13.070 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.355 -4.987 -13.833 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.312 -4.915 -15.598 1.00 0.00 H new ATOM 1462 N GLY A 100 14.197 -6.955 -10.432 1.00 0.00 N ATOM 1463 CA GLY A 100 14.721 -6.037 -9.436 1.00 0.00 C ATOM 1464 C GLY A 100 14.402 -4.591 -9.757 1.00 0.00 C ATOM 1465 O GLY A 100 13.629 -4.306 -10.671 1.00 0.00 O ATOM 0 H GLY A 100 13.181 -7.049 -10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.307 -6.289 -8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.802 -6.161 -9.365 1.00 0.00 H new ATOM 1529 N TYR A 105 16.992 0.386 -5.366 1.00 0.00 N ATOM 1530 CA TYR A 105 17.259 -0.959 -5.863 1.00 0.00 C ATOM 1531 C TYR A 105 16.659 -2.012 -4.937 1.00 0.00 C ATOM 1532 O TYR A 105 16.653 -1.849 -3.716 1.00 0.00 O ATOM 1533 CB TYR A 105 18.765 -1.184 -6.002 1.00 0.00 C ATOM 1534 CG TYR A 105 19.138 -2.618 -6.300 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.937 -3.619 -5.357 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.693 -2.974 -7.523 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.277 -4.931 -5.623 1.00 0.00 C ATOM 1538 CE2 TYR A 105 20.035 -4.283 -7.799 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.825 -5.258 -6.846 1.00 0.00 C ATOM 1540 OH TYR A 105 20.165 -6.564 -7.117 1.00 0.00 O ATOM 0 HA TYR A 105 16.792 -1.056 -6.843 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.147 -0.545 -6.798 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.257 -0.874 -5.080 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.507 -3.366 -4.399 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.860 -2.213 -8.271 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.115 -5.696 -4.878 1.00 0.00 H new ATOM 0 HE2 TYR A 105 20.464 -4.542 -8.755 1.00 0.00 H new ATOM 0 HH TYR A 105 20.537 -6.624 -8.022 1.00 0.00 H new ATOM 1550 N ILE A 106 16.156 -3.091 -5.526 1.00 0.00 N ATOM 1551 CA ILE A 106 15.556 -4.172 -4.754 1.00 0.00 C ATOM 1552 C ILE A 106 15.825 -5.526 -5.403 1.00 0.00 C ATOM 1553 O ILE A 106 15.812 -5.670 -6.626 1.00 0.00 O ATOM 1554 CB ILE A 106 14.035 -3.980 -4.605 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.312 -4.467 -5.863 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.710 -2.519 -4.333 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.997 -5.947 -5.844 1.00 0.00 C ATOM 0 H ILE A 106 16.152 -3.240 -6.535 1.00 0.00 H new ATOM 0 HA ILE A 106 16.016 -4.147 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 106 13.690 -4.573 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.384 -3.908 -5.978 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.928 -4.246 -6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.631 -2.399 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.200 -2.203 -3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.066 -1.907 -5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.485 -6.222 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.923 -6.515 -5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.355 -6.172 -4.992 1.00 0.00 H new ATOM 1569 N PRO A 107 16.073 -6.544 -4.566 1.00 0.00 N ATOM 1570 CA PRO A 107 16.348 -7.906 -5.035 1.00 0.00 C ATOM 1571 C PRO A 107 15.115 -8.572 -5.635 1.00 0.00 C ATOM 1572 O PRO A 107 13.985 -8.350 -5.198 1.00 0.00 O ATOM 1573 CB PRO A 107 16.785 -8.637 -3.764 1.00 0.00 C ATOM 1574 CG PRO A 107 16.145 -7.880 -2.651 1.00 0.00 C ATOM 1575 CD PRO A 107 16.105 -6.445 -3.097 1.00 0.00 C ATOM 0 HA PRO A 107 17.094 -7.921 -5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.459 -9.677 -3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.870 -8.644 -3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.141 -8.255 -2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.715 -7.986 -1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.227 -5.928 -2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.978 -5.892 -2.751 1.00 0.00 H new ATOM 1583 N PRO A 108 15.333 -9.408 -6.661 1.00 0.00 N ATOM 1584 CA PRO A 108 14.250 -10.124 -7.342 1.00 0.00 C ATOM 1585 C PRO A 108 13.629 -11.206 -6.465 1.00 0.00 C ATOM 1586 O PRO A 108 14.278 -11.737 -5.564 1.00 0.00 O ATOM 1587 CB PRO A 108 14.947 -10.752 -8.552 1.00 0.00 C ATOM 1588 CG PRO A 108 16.373 -10.885 -8.141 1.00 0.00 C ATOM 1589 CD PRO A 108 16.653 -9.719 -7.234 1.00 0.00 C ATOM 0 HA PRO A 108 13.425 -9.462 -7.604 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.514 -11.721 -8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.847 -10.123 -9.437 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.544 -11.830 -7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 108 17.032 -10.871 -9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.376 -9.976 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 108 17.062 -8.871 -7.784 1.00 0.00 H new ATOM 1597 N HIS A 109 12.367 -11.527 -6.734 1.00 0.00 N ATOM 1598 CA HIS A 109 11.658 -12.547 -5.969 1.00 0.00 C ATOM 1599 C HIS A 109 11.746 -12.263 -4.473 1.00 0.00 C ATOM 1600 O HIS A 109 11.652 -13.175 -3.652 1.00 0.00 O ATOM 1601 CB HIS A 109 12.231 -13.932 -6.272 1.00 0.00 C ATOM 1602 CG HIS A 109 12.162 -14.305 -7.721 1.00 0.00 C ATOM 1603 ND1 HIS A 109 13.113 -14.777 -8.560 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 11.008 -14.206 -8.470 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.523 -14.955 -9.787 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.252 -14.603 -9.706 1.00 0.00 N flip ATOM 0 H HIS A 109 11.815 -11.096 -7.475 1.00 0.00 H new ATOM 0 HA HIS A 109 10.609 -12.524 -6.264 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.271 -13.965 -5.946 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.690 -14.676 -5.688 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.054 -13.858 -8.103 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.017 -15.323 -10.674 1.00 0.00 H new ATOM 0 HE2 HIS A 109 10.575 -14.633 -10.468 1.00 0.00 H new ATOM 1615 N ALA A 110 11.928 -10.993 -4.126 1.00 0.00 N ATOM 1616 CA ALA A 110 12.028 -10.589 -2.729 1.00 0.00 C ATOM 1617 C ALA A 110 10.793 -9.808 -2.294 1.00 0.00 C ATOM 1618 O ALA A 110 10.641 -8.633 -2.627 1.00 0.00 O ATOM 1619 CB ALA A 110 13.284 -9.760 -2.508 1.00 0.00 C ATOM 0 H ALA A 110 12.009 -10.226 -4.794 1.00 0.00 H new ATOM 0 HA ALA A 110 12.089 -11.490 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.346 -9.465 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.161 -10.351 -2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.246 -8.869 -3.134 1.00 0.00 H new ATOM 1625 N ALA A 111 9.912 -10.469 -1.549 1.00 0.00 N ATOM 1626 CA ALA A 111 8.691 -9.835 -1.068 1.00 0.00 C ATOM 1627 C ALA A 111 8.998 -8.527 -0.347 1.00 0.00 C ATOM 1628 O ALA A 111 10.137 -8.278 0.050 1.00 0.00 O ATOM 1629 CB ALA A 111 7.933 -10.781 -0.148 1.00 0.00 C ATOM 0 H ALA A 111 10.022 -11.443 -1.266 1.00 0.00 H new ATOM 0 HA ALA A 111 8.066 -9.605 -1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.023 -10.295 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.672 -11.688 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.560 -11.039 0.705 1.00 0.00 H new ATOM 1635 N LEU A 112 7.977 -7.694 -0.182 1.00 0.00 N ATOM 1636 CA LEU A 112 8.138 -6.410 0.491 1.00 0.00 C ATOM 1637 C LEU A 112 6.875 -6.035 1.259 1.00 0.00 C ATOM 1638 O LEU A 112 5.768 -6.097 0.722 1.00 0.00 O ATOM 1639 CB LEU A 112 8.473 -5.317 -0.526 1.00 0.00 C ATOM 1640 CG LEU A 112 9.748 -5.528 -1.343 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.772 -4.598 -2.546 1.00 0.00 C ATOM 1642 CD2 LEU A 112 10.979 -5.313 -0.476 1.00 0.00 C ATOM 0 H LEU A 112 7.028 -7.885 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 112 8.959 -6.501 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.635 -5.222 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.558 -4.369 0.005 1.00 0.00 H new ATOM 0 HG LEU A 112 9.758 -6.556 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.687 -4.763 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.909 -4.801 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.738 -3.563 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.877 -5.467 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.975 -4.296 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.969 -6.021 0.352 1.00 0.00 H new ATOM 1654 N CYS A 113 7.048 -5.645 2.517 1.00 0.00 N ATOM 1655 CA CYS A 113 5.922 -5.258 3.360 1.00 0.00 C ATOM 1656 C CYS A 113 5.532 -3.805 3.113 1.00 0.00 C ATOM 1657 O CYS A 113 6.361 -2.901 3.227 1.00 0.00 O ATOM 1658 CB CYS A 113 6.268 -5.463 4.835 1.00 0.00 C ATOM 1659 SG CYS A 113 6.516 -7.193 5.302 1.00 0.00 S ATOM 0 H CYS A 113 7.957 -5.588 2.976 1.00 0.00 H new ATOM 0 HA CYS A 113 5.073 -5.891 3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 113 7.174 -4.902 5.066 1.00 0.00 H new ATOM 0 HB3 CYS A 113 5.469 -5.044 5.446 1.00 0.00 H new ATOM 0 HG CYS A 113 6.806 -7.264 6.567 1.00 0.00 H new ATOM 1665 N LEU A 114 4.266 -3.586 2.774 1.00 0.00 N ATOM 1666 CA LEU A 114 3.766 -2.241 2.510 1.00 0.00 C ATOM 1667 C LEU A 114 2.489 -1.971 3.298 1.00 0.00 C ATOM 1668 O LEU A 114 1.546 -2.760 3.260 1.00 0.00 O ATOM 1669 CB LEU A 114 3.504 -2.058 1.014 1.00 0.00 C ATOM 1670 CG LEU A 114 4.539 -2.673 0.071 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.124 -2.477 -1.379 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.913 -2.069 0.321 1.00 0.00 C ATOM 0 H LEU A 114 3.567 -4.322 2.675 1.00 0.00 H new ATOM 0 HA LEU A 114 4.526 -1.528 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.529 -2.487 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.440 -0.990 0.805 1.00 0.00 H new ATOM 0 HG LEU A 114 4.593 -3.743 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.873 -2.921 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.161 -2.958 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.041 -1.411 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.637 -2.518 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.874 -0.993 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.214 -2.262 1.351 1.00 0.00 H new ATOM 1684 N GLU A 115 2.466 -0.848 4.011 1.00 0.00 N ATOM 1685 CA GLU A 115 1.303 -0.473 4.807 1.00 0.00 C ATOM 1686 C GLU A 115 0.562 0.698 4.169 1.00 0.00 C ATOM 1687 O GLU A 115 1.082 1.812 4.099 1.00 0.00 O ATOM 1688 CB GLU A 115 1.728 -0.108 6.231 1.00 0.00 C ATOM 1689 CG GLU A 115 0.560 0.121 7.175 1.00 0.00 C ATOM 1690 CD GLU A 115 1.007 0.435 8.590 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.091 -0.040 8.988 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.272 1.154 9.298 1.00 0.00 O ATOM 0 H GLU A 115 3.239 -0.183 4.053 1.00 0.00 H new ATOM 0 HA GLU A 115 0.629 -1.329 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.355 -0.905 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.340 0.793 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.050 0.943 6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -0.073 -0.766 7.186 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.656 0.438 3.705 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.470 1.470 3.074 1.00 0.00 C ATOM 1701 C VAL A 116 -2.317 2.208 4.104 1.00 0.00 C ATOM 1702 O VAL A 116 -2.981 1.591 4.938 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.396 0.873 1.997 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.964 1.973 1.112 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.649 -0.159 1.165 1.00 0.00 C ATOM 0 H VAL A 116 -1.101 -0.479 3.754 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.782 2.172 2.603 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.228 0.373 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.616 1.533 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.536 2.672 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.148 2.503 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.318 -0.570 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.797 0.315 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -1.296 -0.962 1.812 1.00 0.00 H new ATOM 1715 N THR A 117 -2.292 3.536 4.040 1.00 0.00 N ATOM 1716 CA THR A 117 -3.056 4.361 4.968 1.00 0.00 C ATOM 1717 C THR A 117 -3.820 5.454 4.230 1.00 0.00 C ATOM 1718 O THR A 117 -3.255 6.491 3.878 1.00 0.00 O ATOM 1719 CB THR A 117 -2.144 5.011 6.025 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.400 4.002 6.717 1.00 0.00 O ATOM 1721 CG2 THR A 117 -2.961 5.819 7.022 1.00 0.00 C ATOM 0 H THR A 117 -1.751 4.063 3.355 1.00 0.00 H new ATOM 0 HA THR A 117 -3.764 3.701 5.468 1.00 0.00 H new ATOM 0 HB THR A 117 -1.455 5.684 5.514 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.821 4.423 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.295 6.268 7.759 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.503 6.605 6.496 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.671 5.164 7.527 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.106 5.217 3.998 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.949 6.184 3.302 1.00 0.00 C ATOM 1731 C LEU A 118 -6.243 7.389 4.189 1.00 0.00 C ATOM 1732 O LEU A 118 -7.030 7.303 5.132 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.259 5.526 2.865 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.899 6.085 1.594 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.431 7.489 1.836 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.899 6.082 0.447 1.00 0.00 C ATOM 0 H LEU A 118 -5.588 4.364 4.281 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.411 6.529 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.076 4.462 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.977 5.617 3.680 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.737 5.444 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.883 7.870 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.181 7.463 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.611 8.142 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.372 6.483 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.040 6.699 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.567 5.061 0.256 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.606 8.514 3.880 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.801 9.739 4.646 1.00 0.00 C ATOM 1750 C LYS A 119 -6.976 10.542 4.099 1.00 0.00 C ATOM 1751 O LYS A 119 -7.971 10.758 4.792 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.529 10.590 4.617 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.249 9.773 4.617 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.185 8.836 5.812 1.00 0.00 C ATOM 1755 CE LYS A 119 -2.541 9.510 7.014 1.00 0.00 C ATOM 1756 NZ LYS A 119 -1.127 9.889 6.745 1.00 0.00 N ATOM 0 H LYS A 119 -4.950 8.602 3.104 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.023 9.462 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.546 11.223 3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.526 11.253 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.186 9.194 3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.389 10.443 4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.191 8.508 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.618 7.944 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.111 10.400 7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.580 8.838 7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.593 9.892 7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.702 9.202 6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.097 10.838 6.320 1.00 0.00 H new ATOM 1770 N THR A 120 -6.856 10.982 2.850 1.00 0.00 N ATOM 1771 CA THR A 120 -7.908 11.761 2.209 1.00 0.00 C ATOM 1772 C THR A 120 -7.875 11.589 0.695 1.00 0.00 C ATOM 1773 O THR A 120 -6.807 11.459 0.099 1.00 0.00 O ATOM 1774 CB THR A 120 -7.783 13.259 2.547 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.459 13.718 2.252 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.098 13.511 4.014 1.00 0.00 C ATOM 0 H THR A 120 -6.040 10.812 2.262 1.00 0.00 H new ATOM 0 HA THR A 120 -8.857 11.387 2.594 1.00 0.00 H new ATOM 0 HB THR A 120 -8.502 13.808 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.388 14.671 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 120 -8.003 14.575 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.116 13.187 4.228 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.400 12.951 4.637 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.052 11.589 0.079 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.158 11.435 -1.367 1.00 0.00 C ATOM 1786 C ALA A 121 -9.872 12.627 -1.995 1.00 0.00 C ATOM 1787 O ALA A 121 -11.011 12.936 -1.646 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.884 10.142 -1.708 1.00 0.00 C ATOM 0 H ALA A 121 -9.946 11.694 0.559 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.149 11.392 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.956 10.040 -2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.331 9.296 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.885 10.163 -1.278 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.195 13.294 -2.924 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.765 14.453 -3.601 1.00 0.00 C ATOM 1796 C VAL A 122 -9.325 14.508 -5.060 1.00 0.00 C ATOM 1797 O VAL A 122 -8.479 13.725 -5.494 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.360 15.766 -2.905 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.867 15.788 -1.471 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -7.850 15.948 -2.948 1.00 0.00 C ATOM 0 H VAL A 122 -8.251 13.052 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.849 14.345 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 122 -9.819 16.597 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.572 16.723 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.954 15.707 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.439 14.950 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.582 16.881 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.368 15.114 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.517 15.980 -3.985 1.00 0.00 H new ATOM 1810 N ASP A 123 -9.904 15.438 -5.812 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.570 15.597 -7.222 1.00 0.00 C ATOM 1812 C ASP A 123 -8.494 16.662 -7.410 1.00 0.00 C ATOM 1813 O ASP A 123 -7.767 16.655 -8.403 1.00 0.00 O ATOM 1814 CB ASP A 123 -10.819 15.968 -8.025 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.729 15.527 -9.472 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -10.713 14.303 -9.719 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -10.674 16.405 -10.358 1.00 0.00 O ATOM 0 H ASP A 123 -10.607 16.093 -5.468 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.181 14.646 -7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.694 15.511 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -10.965 17.047 -7.986 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.401 17.576 -6.450 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.416 18.649 -6.511 1.00 0.00 C ATOM 1824 C ARG A 124 -6.060 18.172 -5.999 1.00 0.00 C ATOM 1825 O ARG A 124 -5.968 17.347 -5.089 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.888 19.852 -5.691 1.00 0.00 C ATOM 1827 CG ARG A 124 -9.101 20.552 -6.282 1.00 0.00 C ATOM 1828 CD ARG A 124 -10.397 20.001 -5.707 1.00 0.00 C ATOM 1829 NE ARG A 124 -10.652 20.498 -4.358 1.00 0.00 N ATOM 1830 CZ ARG A 124 -11.023 21.745 -4.091 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -11.181 22.618 -5.076 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -11.236 22.121 -2.836 1.00 0.00 N ATOM 0 H ARG A 124 -8.995 17.595 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.307 18.949 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.126 19.521 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.070 20.568 -5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -9.039 21.622 -6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.101 20.430 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -11.228 20.275 -6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.352 18.912 -5.690 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.539 19.852 -3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.018 22.333 -6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.466 23.575 -4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.115 21.452 -2.076 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.521 23.079 -2.632 1.00 0.00 H new