USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=29 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 55 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.023) USER MOD Set 1.2: A 96 TYR OH : rot -72:sc= 0 USER MOD Set 2.1: A 50 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.4!) USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.742 K(o=-0.74,f=-3.5!) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0789) USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= -0.391 (180deg=-0.392) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.955 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= -0.0584 (180deg=-0.36) USER MOD Single : A 38 GLN :FLIP amide:sc= -2.62! C(o=-3.4!,f=-2.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -3.9! C(o=-5.2!,f=-3.9!) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.141 F(o=-1.4,f=-0.14) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -171:sc= -0.919 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 -108:sc= 0.0274 USER MOD Single : A 80 MET CE :methyl -158:sc= -2.76! (180deg=-3.33) 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 180:sc= 0 USER MOD Single : A 92 SER OG : rot 110:sc= -0.0853 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.471 USER MOD Single : A 95 CYS SG : rot 68:sc= -0.481 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.0889 F(o=-0.65,f=-0.089) USER MOD Single : A 113 CYS SG : rot 180:sc= -0.188 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.555 USER MOD Single : A 119 LYS NZ :NH3+ -153:sc= -0.134 (180deg=-0.729) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.956 -10.956 3.431 1.00 0.00 N ATOM 121 CA LEU A 11 -7.914 -10.972 2.331 1.00 0.00 C ATOM 122 C LEU A 11 -7.204 -11.146 0.993 1.00 0.00 C ATOM 123 O LEU A 11 -6.262 -10.419 0.679 1.00 0.00 O ATOM 124 CB LEU A 11 -8.731 -9.679 2.323 1.00 0.00 C ATOM 125 CG LEU A 11 -9.428 -9.333 1.006 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.714 -8.565 1.269 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.500 -8.531 0.106 1.00 0.00 C ATOM 0 HA LEU A 11 -8.585 -11.818 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.488 -9.746 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.070 -8.854 2.589 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.682 -10.262 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.196 -8.327 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.385 -9.175 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.484 -7.642 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.013 -8.294 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.215 -7.607 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.607 -9.117 -0.110 1.00 0.00 H new ATOM 139 N ASP A 12 -7.663 -12.114 0.207 1.00 0.00 N ATOM 140 CA ASP A 12 -7.075 -12.382 -1.100 1.00 0.00 C ATOM 141 C ASP A 12 -7.562 -11.372 -2.133 1.00 0.00 C ATOM 142 O ASP A 12 -8.692 -11.458 -2.615 1.00 0.00 O ATOM 143 CB ASP A 12 -7.417 -13.802 -1.555 1.00 0.00 C ATOM 144 CG ASP A 12 -6.690 -14.860 -0.748 1.00 0.00 C ATOM 145 OD1 ASP A 12 -5.529 -15.172 -1.088 1.00 0.00 O ATOM 146 OD2 ASP A 12 -7.282 -15.374 0.223 1.00 0.00 O ATOM 0 H ASP A 12 -8.441 -12.726 0.453 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.993 -12.288 -1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.492 -13.959 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.162 -13.914 -2.609 1.00 0.00 H new ATOM 151 N ILE A 13 -6.703 -10.415 -2.469 1.00 0.00 N ATOM 152 CA ILE A 13 -7.047 -9.388 -3.445 1.00 0.00 C ATOM 153 C ILE A 13 -6.998 -9.942 -4.865 1.00 0.00 C ATOM 154 O ILE A 13 -7.781 -9.540 -5.727 1.00 0.00 O ATOM 155 CB ILE A 13 -6.101 -8.177 -3.345 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.223 -7.518 -1.969 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.406 -7.174 -4.447 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.098 -6.557 -1.657 1.00 0.00 C ATOM 0 H ILE A 13 -5.764 -10.330 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.063 -9.064 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.076 -8.525 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.172 -6.984 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.249 -8.294 -1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.729 -6.324 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.272 -7.649 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.435 -6.829 -4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.250 -6.128 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.147 -7.090 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.084 -5.759 -2.400 1.00 0.00 H new ATOM 170 N LEU A 14 -6.075 -10.867 -5.102 1.00 0.00 N ATOM 171 CA LEU A 14 -5.924 -11.478 -6.418 1.00 0.00 C ATOM 172 C LEU A 14 -6.526 -12.880 -6.439 1.00 0.00 C ATOM 173 O LEU A 14 -6.957 -13.365 -7.484 1.00 0.00 O ATOM 174 CB LEU A 14 -4.446 -11.539 -6.807 1.00 0.00 C ATOM 175 CG LEU A 14 -3.695 -10.208 -6.803 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.200 -10.438 -6.643 1.00 0.00 C ATOM 177 CD2 LEU A 14 -3.982 -9.429 -8.079 1.00 0.00 C ATOM 0 H LEU A 14 -5.420 -11.211 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.458 -10.862 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.939 -12.221 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.371 -11.972 -7.804 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.044 -9.619 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.682 -9.479 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.010 -10.953 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.835 -11.047 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.439 -8.484 -8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.662 -10.013 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.051 -9.231 -8.152 1.00 0.00 H new ATOM 189 N GLY A 15 -6.554 -13.524 -5.277 1.00 0.00 N ATOM 190 CA GLY A 15 -7.107 -14.863 -5.184 1.00 0.00 C ATOM 191 C GLY A 15 -6.033 -15.928 -5.090 1.00 0.00 C ATOM 192 O GLY A 15 -6.186 -16.911 -4.366 1.00 0.00 O ATOM 0 H GLY A 15 -6.204 -13.143 -4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.754 -14.926 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.731 -15.057 -6.056 1.00 0.00 H new ATOM 196 N ASN A 16 -4.943 -15.735 -5.825 1.00 0.00 N ATOM 197 CA ASN A 16 -3.840 -16.689 -5.824 1.00 0.00 C ATOM 198 C ASN A 16 -3.273 -16.862 -4.418 1.00 0.00 C ATOM 199 O ASN A 16 -3.190 -17.977 -3.904 1.00 0.00 O ATOM 200 CB ASN A 16 -2.737 -16.226 -6.777 1.00 0.00 C ATOM 201 CG ASN A 16 -3.291 -15.575 -8.030 1.00 0.00 C ATOM 202 OD1 ASN A 16 -4.472 -15.717 -8.346 1.00 0.00 O ATOM 203 ND2 ASN A 16 -2.437 -14.856 -8.750 1.00 0.00 N ATOM 0 H ASN A 16 -4.800 -14.926 -6.429 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.224 -17.651 -6.163 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.087 -15.519 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.120 -17.080 -7.057 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.752 -14.394 -9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.466 -14.766 -8.450 1.00 0.00 H new ATOM 210 N GLY A 17 -2.884 -15.750 -3.801 1.00 0.00 N ATOM 211 CA GLY A 17 -2.330 -15.800 -2.461 1.00 0.00 C ATOM 212 C GLY A 17 -1.139 -14.878 -2.291 1.00 0.00 C ATOM 213 O GLY A 17 -0.659 -14.670 -1.175 1.00 0.00 O ATOM 0 H GLY A 17 -2.943 -14.816 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.102 -15.527 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.029 -16.823 -2.234 1.00 0.00 H new ATOM 217 N LEU A 18 -0.659 -14.325 -3.399 1.00 0.00 N ATOM 218 CA LEU A 18 0.486 -13.420 -3.368 1.00 0.00 C ATOM 219 C LEU A 18 0.117 -12.098 -2.704 1.00 0.00 C ATOM 220 O LEU A 18 0.626 -11.766 -1.632 1.00 0.00 O ATOM 221 CB LEU A 18 0.998 -13.166 -4.787 1.00 0.00 C ATOM 222 CG LEU A 18 1.977 -14.201 -5.343 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.036 -14.543 -4.307 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.235 -15.454 -5.784 1.00 0.00 C ATOM 0 H LEU A 18 -1.044 -14.487 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 18 1.275 -13.891 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.140 -13.111 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.482 -12.190 -4.808 1.00 0.00 H new ATOM 0 HG LEU A 18 2.474 -13.773 -6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.724 -15.281 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.588 -13.642 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.556 -14.952 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.947 -16.179 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.711 -15.885 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.515 -15.196 -6.560 1.00 0.00 H new ATOM 236 N LEU A 19 -0.772 -11.348 -3.344 1.00 0.00 N ATOM 237 CA LEU A 19 -1.212 -10.061 -2.814 1.00 0.00 C ATOM 238 C LEU A 19 -2.276 -10.251 -1.738 1.00 0.00 C ATOM 239 O LEU A 19 -3.419 -10.598 -2.036 1.00 0.00 O ATOM 240 CB LEU A 19 -1.760 -9.184 -3.941 1.00 0.00 C ATOM 241 CG LEU A 19 -2.180 -7.768 -3.545 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.001 -7.005 -2.961 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.754 -7.027 -4.744 1.00 0.00 C ATOM 0 H LEU A 19 -1.203 -11.608 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.351 -9.567 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.001 -9.112 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.621 -9.688 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.955 -7.840 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.319 -6.000 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.633 -7.525 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.205 -6.943 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.048 -6.021 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.000 -6.966 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.626 -7.563 -5.119 1.00 0.00 H new ATOM 255 N ARG A 20 -1.893 -10.018 -0.487 1.00 0.00 N ATOM 256 CA ARG A 20 -2.815 -10.162 0.633 1.00 0.00 C ATOM 257 C ARG A 20 -3.102 -8.810 1.278 1.00 0.00 C ATOM 258 O ARG A 20 -2.358 -7.848 1.087 1.00 0.00 O ATOM 259 CB ARG A 20 -2.240 -11.124 1.674 1.00 0.00 C ATOM 260 CG ARG A 20 -2.471 -12.589 1.343 1.00 0.00 C ATOM 261 CD ARG A 20 -1.409 -13.477 1.973 1.00 0.00 C ATOM 262 NE ARG A 20 -1.722 -13.803 3.362 1.00 0.00 N ATOM 263 CZ ARG A 20 -1.121 -14.773 4.043 1.00 0.00 C ATOM 264 NH1 ARG A 20 -0.180 -15.507 3.466 1.00 0.00 N ATOM 265 NH2 ARG A 20 -1.461 -15.009 5.304 1.00 0.00 N ATOM 0 H ARG A 20 -0.951 -9.729 -0.224 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.751 -10.569 0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.169 -10.946 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.686 -10.905 2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.457 -12.892 1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.465 -12.724 0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.317 -14.397 1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.443 -12.975 1.927 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.441 -13.256 3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.084 -15.328 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.280 -16.251 3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.184 -14.446 5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.999 -15.754 5.826 1.00 0.00 H new ATOM 279 N LYS A 21 -4.187 -8.743 2.043 1.00 0.00 N ATOM 280 CA LYS A 21 -4.573 -7.509 2.718 1.00 0.00 C ATOM 281 C LYS A 21 -4.953 -7.780 4.170 1.00 0.00 C ATOM 282 O LYS A 21 -5.604 -8.779 4.477 1.00 0.00 O ATOM 283 CB LYS A 21 -5.745 -6.850 1.987 1.00 0.00 C ATOM 284 CG LYS A 21 -5.796 -5.341 2.157 1.00 0.00 C ATOM 285 CD LYS A 21 -6.930 -4.727 1.353 1.00 0.00 C ATOM 286 CE LYS A 21 -8.278 -4.976 2.012 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.466 -4.133 3.225 1.00 0.00 N ATOM 0 H LYS A 21 -4.815 -9.529 2.211 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.718 -6.833 2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.679 -7.086 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.678 -7.280 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.923 -5.097 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.848 -4.906 1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.766 -3.654 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.933 -5.146 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.075 -4.768 1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.360 -6.028 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.456 -4.190 3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.843 -4.474 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.230 -3.145 3.001 1.00 0.00 H new ATOM 301 N LYS A 22 -4.545 -6.883 5.061 1.00 0.00 N ATOM 302 CA LYS A 22 -4.844 -7.022 6.481 1.00 0.00 C ATOM 303 C LYS A 22 -5.238 -5.679 7.088 1.00 0.00 C ATOM 304 O LYS A 22 -4.398 -4.797 7.270 1.00 0.00 O ATOM 305 CB LYS A 22 -3.636 -7.595 7.224 1.00 0.00 C ATOM 306 CG LYS A 22 -3.903 -7.880 8.692 1.00 0.00 C ATOM 307 CD LYS A 22 -2.671 -8.435 9.386 1.00 0.00 C ATOM 308 CE LYS A 22 -1.809 -7.323 9.964 1.00 0.00 C ATOM 309 NZ LYS A 22 -2.204 -6.982 11.358 1.00 0.00 N ATOM 0 H LYS A 22 -4.005 -6.051 4.824 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.685 -7.708 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.323 -8.517 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.805 -6.894 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.220 -6.963 9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.724 -8.592 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.976 -9.113 10.184 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.085 -9.020 8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.763 -7.629 9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.892 -6.436 9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.540 -6.281 11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.166 -6.586 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.182 -7.840 11.945 1.00 0.00 H new ATOM 323 N THR A 23 -6.522 -5.531 7.402 1.00 0.00 N ATOM 324 CA THR A 23 -7.027 -4.296 7.989 1.00 0.00 C ATOM 325 C THR A 23 -6.429 -4.060 9.371 1.00 0.00 C ATOM 326 O THR A 23 -6.835 -4.688 10.350 1.00 0.00 O ATOM 327 CB THR A 23 -8.563 -4.316 8.103 1.00 0.00 C ATOM 328 OG1 THR A 23 -9.150 -4.370 6.798 1.00 0.00 O ATOM 329 CG2 THR A 23 -9.066 -3.084 8.841 1.00 0.00 C ATOM 0 H THR A 23 -7.230 -6.251 7.259 1.00 0.00 H new ATOM 0 HA THR A 23 -6.730 -3.485 7.324 1.00 0.00 H new ATOM 0 HB THR A 23 -8.853 -5.202 8.668 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.127 -4.384 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.153 -3.120 8.910 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.640 -3.061 9.844 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.766 -2.187 8.299 1.00 0.00 H new ATOM 337 N LEU A 24 -5.463 -3.151 9.445 1.00 0.00 N ATOM 338 CA LEU A 24 -4.809 -2.830 10.709 1.00 0.00 C ATOM 339 C LEU A 24 -5.727 -2.003 11.603 1.00 0.00 C ATOM 340 O LEU A 24 -5.749 -2.179 12.821 1.00 0.00 O ATOM 341 CB LEU A 24 -3.506 -2.071 10.454 1.00 0.00 C ATOM 342 CG LEU A 24 -2.490 -2.766 9.548 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.360 -1.816 9.184 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.942 -4.016 10.222 1.00 0.00 C ATOM 0 H LEU A 24 -5.115 -2.623 8.645 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.582 -3.766 11.220 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.752 -1.104 10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.030 -1.873 11.415 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.996 -3.064 8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.647 -2.329 8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.766 -0.951 8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.855 -1.486 10.092 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.220 -4.498 9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.453 -3.741 11.156 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.760 -4.705 10.430 1.00 0.00 H new ATOM 356 N VAL A 25 -6.486 -1.100 10.989 1.00 0.00 N ATOM 357 CA VAL A 25 -7.409 -0.247 11.728 1.00 0.00 C ATOM 358 C VAL A 25 -8.617 0.124 10.875 1.00 0.00 C ATOM 359 O VAL A 25 -8.510 0.849 9.886 1.00 0.00 O ATOM 360 CB VAL A 25 -6.718 1.043 12.209 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.708 1.940 12.935 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.532 0.710 13.103 1.00 0.00 C ATOM 0 H VAL A 25 -6.479 -0.941 9.982 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.742 -0.817 12.595 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.347 1.583 11.338 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.202 2.846 13.267 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.521 2.206 12.260 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.111 1.412 13.799 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.055 1.633 13.434 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.877 0.148 13.971 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.813 0.110 12.545 1.00 0.00 H new ATOM 372 N PRO A 26 -9.795 -0.384 11.266 1.00 0.00 N ATOM 373 CA PRO A 26 -11.047 -0.118 10.552 1.00 0.00 C ATOM 374 C PRO A 26 -11.508 1.327 10.706 1.00 0.00 C ATOM 375 O PRO A 26 -11.246 1.967 11.724 1.00 0.00 O ATOM 376 CB PRO A 26 -12.044 -1.071 11.217 1.00 0.00 C ATOM 377 CG PRO A 26 -11.492 -1.305 12.580 1.00 0.00 C ATOM 378 CD PRO A 26 -9.996 -1.256 12.436 1.00 0.00 C ATOM 0 HA PRO A 26 -10.943 -0.269 9.478 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.041 -0.632 11.263 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.132 -2.004 10.660 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.842 -0.545 13.278 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.815 -2.270 12.971 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.519 -0.849 13.328 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.575 -2.248 12.275 1.00 0.00 H new ATOM 386 N GLY A 27 -12.197 1.836 9.689 1.00 0.00 N ATOM 387 CA GLY A 27 -12.683 3.203 9.733 1.00 0.00 C ATOM 388 C GLY A 27 -14.131 3.290 10.172 1.00 0.00 C ATOM 389 O GLY A 27 -14.807 2.278 10.360 1.00 0.00 O ATOM 0 H GLY A 27 -12.427 1.326 8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.064 3.784 10.417 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.578 3.655 8.747 1.00 0.00 H new ATOM 393 N PRO A 28 -14.628 4.523 10.346 1.00 0.00 N ATOM 394 CA PRO A 28 -16.010 4.767 10.769 1.00 0.00 C ATOM 395 C PRO A 28 -17.021 4.406 9.686 1.00 0.00 C ATOM 396 O PRO A 28 -16.675 4.211 8.521 1.00 0.00 O ATOM 397 CB PRO A 28 -16.036 6.273 11.044 1.00 0.00 C ATOM 398 CG PRO A 28 -14.948 6.832 10.194 1.00 0.00 C ATOM 399 CD PRO A 28 -13.880 5.775 10.140 1.00 0.00 C ATOM 0 HA PRO A 28 -16.286 4.157 11.629 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -17.002 6.706 10.786 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.863 6.486 12.099 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.315 7.067 9.195 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.559 7.758 10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.359 5.779 9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.127 5.925 10.913 1.00 0.00 H new ATOM 407 N PRO A 29 -18.301 4.314 10.077 1.00 0.00 N ATOM 408 CA PRO A 29 -19.388 3.976 9.154 1.00 0.00 C ATOM 409 C PRO A 29 -19.670 5.095 8.157 1.00 0.00 C ATOM 410 O PRO A 29 -20.453 4.925 7.223 1.00 0.00 O ATOM 411 CB PRO A 29 -20.589 3.770 10.080 1.00 0.00 C ATOM 412 CG PRO A 29 -20.279 4.584 11.289 1.00 0.00 C ATOM 413 CD PRO A 29 -18.785 4.533 11.450 1.00 0.00 C ATOM 0 HA PRO A 29 -19.149 3.105 8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.514 4.099 9.607 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.718 2.718 10.333 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.624 5.611 11.167 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.780 4.182 12.169 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.394 5.460 11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.480 3.727 12.117 1.00 0.00 H new ATOM 421 N GLY A 30 -19.027 6.241 8.362 1.00 0.00 N ATOM 422 CA GLY A 30 -19.223 7.371 7.472 1.00 0.00 C ATOM 423 C GLY A 30 -18.346 7.296 6.238 1.00 0.00 C ATOM 424 O GLY A 30 -18.837 7.387 5.113 1.00 0.00 O ATOM 0 H GLY A 30 -18.374 6.407 9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.269 7.413 7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -19.010 8.295 8.010 1.00 0.00 H new ATOM 428 N SER A 31 -17.044 7.130 6.449 1.00 0.00 N ATOM 429 CA SER A 31 -16.095 7.048 5.344 1.00 0.00 C ATOM 430 C SER A 31 -16.449 5.896 4.409 1.00 0.00 C ATOM 431 O SER A 31 -17.322 5.083 4.710 1.00 0.00 O ATOM 432 CB SER A 31 -14.673 6.869 5.877 1.00 0.00 C ATOM 433 OG SER A 31 -14.526 7.472 7.152 1.00 0.00 O ATOM 0 H SER A 31 -16.622 7.050 7.374 1.00 0.00 H new ATOM 0 HA SER A 31 -16.149 7.980 4.781 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.438 5.807 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.961 7.310 5.179 1.00 0.00 H new ATOM 0 HG SER A 31 -13.609 7.342 7.471 1.00 0.00 H new ATOM 439 N SER A 32 -15.763 5.834 3.272 1.00 0.00 N ATOM 440 CA SER A 32 -16.006 4.784 2.289 1.00 0.00 C ATOM 441 C SER A 32 -14.939 4.803 1.199 1.00 0.00 C ATOM 442 O SER A 32 -14.466 5.865 0.796 1.00 0.00 O ATOM 443 CB SER A 32 -17.393 4.952 1.664 1.00 0.00 C ATOM 444 OG SER A 32 -17.640 6.306 1.328 1.00 0.00 O ATOM 0 H SER A 32 -15.035 6.498 3.009 1.00 0.00 H new ATOM 0 HA SER A 32 -15.960 3.823 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.470 4.332 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.154 4.602 2.361 1.00 0.00 H new ATOM 0 HG SER A 32 -18.531 6.387 0.929 1.00 0.00 H new ATOM 450 N ARG A 33 -14.565 3.618 0.726 1.00 0.00 N ATOM 451 CA ARG A 33 -13.553 3.497 -0.317 1.00 0.00 C ATOM 452 C ARG A 33 -13.674 4.634 -1.327 1.00 0.00 C ATOM 453 O ARG A 33 -14.771 5.047 -1.706 1.00 0.00 O ATOM 454 CB ARG A 33 -13.684 2.151 -1.031 1.00 0.00 C ATOM 455 CG ARG A 33 -13.829 0.971 -0.083 1.00 0.00 C ATOM 456 CD ARG A 33 -13.338 -0.319 -0.721 1.00 0.00 C ATOM 457 NE ARG A 33 -13.987 -1.495 -0.148 1.00 0.00 N ATOM 458 CZ ARG A 33 -13.711 -1.971 1.061 1.00 0.00 C ATOM 459 NH1 ARG A 33 -12.802 -1.375 1.820 1.00 0.00 N ATOM 460 NH2 ARG A 33 -14.344 -3.046 1.512 1.00 0.00 N ATOM 0 H ARG A 33 -14.947 2.729 1.048 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.572 3.556 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.549 2.183 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.807 1.996 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.265 1.165 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.874 0.861 0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.527 -0.287 -1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.259 -0.400 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.691 -1.977 -0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.313 -0.549 1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.592 -1.743 2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.043 -3.508 0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.131 -3.411 2.440 1.00 0.00 H new ATOM 474 N PRO A 34 -12.522 5.155 -1.774 1.00 0.00 N ATOM 475 CA PRO A 34 -12.473 6.251 -2.746 1.00 0.00 C ATOM 476 C PRO A 34 -12.928 5.816 -4.134 1.00 0.00 C ATOM 477 O PRO A 34 -13.414 4.700 -4.318 1.00 0.00 O ATOM 478 CB PRO A 34 -10.992 6.641 -2.766 1.00 0.00 C ATOM 479 CG PRO A 34 -10.271 5.409 -2.342 1.00 0.00 C ATOM 480 CD PRO A 34 -11.178 4.713 -1.365 1.00 0.00 C ATOM 0 HA PRO A 34 -13.140 7.069 -2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.680 6.960 -3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.792 7.470 -2.088 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.055 4.769 -3.198 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.315 5.656 -1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.076 3.629 -1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -10.956 4.999 -0.337 1.00 0.00 H new ATOM 488 N VAL A 35 -12.768 6.704 -5.110 1.00 0.00 N ATOM 489 CA VAL A 35 -13.161 6.411 -6.483 1.00 0.00 C ATOM 490 C VAL A 35 -11.940 6.199 -7.371 1.00 0.00 C ATOM 491 O VAL A 35 -10.870 6.752 -7.117 1.00 0.00 O ATOM 492 CB VAL A 35 -14.022 7.543 -7.074 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.495 8.901 -6.634 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.061 7.445 -8.592 1.00 0.00 C ATOM 0 H VAL A 35 -12.369 7.633 -4.975 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.749 5.494 -6.455 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.040 7.435 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.116 9.688 -7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.523 8.967 -5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.468 9.022 -6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.674 8.252 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.049 7.526 -8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.489 6.486 -8.884 1.00 0.00 H new ATOM 504 N LYS A 36 -12.108 5.394 -8.415 1.00 0.00 N ATOM 505 CA LYS A 36 -11.021 5.109 -9.344 1.00 0.00 C ATOM 506 C LYS A 36 -10.861 6.237 -10.358 1.00 0.00 C ATOM 507 O LYS A 36 -11.775 6.526 -11.129 1.00 0.00 O ATOM 508 CB LYS A 36 -11.278 3.788 -10.072 1.00 0.00 C ATOM 509 CG LYS A 36 -10.255 3.479 -11.152 1.00 0.00 C ATOM 510 CD LYS A 36 -10.826 2.552 -12.212 1.00 0.00 C ATOM 511 CE LYS A 36 -9.739 1.704 -12.854 1.00 0.00 C ATOM 512 NZ LYS A 36 -9.173 0.711 -11.900 1.00 0.00 N ATOM 0 H LYS A 36 -12.987 4.927 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.098 5.027 -8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.282 2.977 -9.344 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.271 3.818 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.925 4.407 -11.619 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.376 3.019 -10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.578 1.903 -11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.330 3.141 -12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.149 1.183 -13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.942 2.351 -13.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.748 -0.076 -12.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.445 1.168 -11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.931 0.347 -11.288 1.00 0.00 H new ATOM 526 N GLY A 37 -9.692 6.872 -10.352 1.00 0.00 N ATOM 527 CA GLY A 37 -9.434 7.960 -11.277 1.00 0.00 C ATOM 528 C GLY A 37 -9.308 9.298 -10.577 1.00 0.00 C ATOM 529 O GLY A 37 -9.418 10.349 -11.208 1.00 0.00 O ATOM 0 H GLY A 37 -8.920 6.652 -9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.517 7.754 -11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.241 8.010 -12.008 1.00 0.00 H new ATOM 533 N GLN A 38 -9.078 9.260 -9.268 1.00 0.00 N ATOM 534 CA GLN A 38 -8.940 10.480 -8.481 1.00 0.00 C ATOM 535 C GLN A 38 -7.589 10.522 -7.775 1.00 0.00 C ATOM 536 O GLN A 38 -6.811 9.570 -7.845 1.00 0.00 O ATOM 537 CB GLN A 38 -10.069 10.581 -7.455 1.00 0.00 C ATOM 538 CG GLN A 38 -11.437 10.812 -8.076 1.00 0.00 C ATOM 539 CD GLN A 38 -12.367 11.593 -7.168 1.00 0.00 C ATOM 540 OE1 GLN A 38 -12.102 11.544 -5.867 1.00 0.00 O flip ATOM 541 NE2 GLN A 38 -13.313 12.232 -7.629 1.00 0.00 N flip ATOM 0 H GLN A 38 -8.983 8.398 -8.731 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.000 11.330 -9.161 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.097 9.664 -6.866 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.850 11.396 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.318 11.349 -9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.891 9.850 -8.313 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.480 12.242 -8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.930 12.751 -7.005 1.00 0.00 H new ATOM 550 N VAL A 39 -7.317 11.630 -7.094 1.00 0.00 N ATOM 551 CA VAL A 39 -6.060 11.796 -6.373 1.00 0.00 C ATOM 552 C VAL A 39 -6.150 11.207 -4.969 1.00 0.00 C ATOM 553 O VAL A 39 -6.826 11.754 -4.097 1.00 0.00 O ATOM 554 CB VAL A 39 -5.663 13.280 -6.271 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.612 13.479 -5.189 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.161 13.790 -7.613 1.00 0.00 C ATOM 0 H VAL A 39 -7.950 12.427 -7.026 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.297 11.262 -6.940 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.546 13.856 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.344 14.534 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.012 13.154 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.726 12.892 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.885 14.841 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.290 13.211 -7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.948 13.685 -8.360 1.00 0.00 H new ATOM 566 N VAL A 40 -5.463 10.089 -4.757 1.00 0.00 N ATOM 567 CA VAL A 40 -5.464 9.427 -3.458 1.00 0.00 C ATOM 568 C VAL A 40 -4.113 9.572 -2.767 1.00 0.00 C ATOM 569 O VAL A 40 -3.069 9.277 -3.350 1.00 0.00 O ATOM 570 CB VAL A 40 -5.802 7.930 -3.592 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.304 7.711 -3.494 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.258 7.376 -4.900 1.00 0.00 C ATOM 0 H VAL A 40 -4.899 9.623 -5.468 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.231 9.913 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.327 7.393 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.524 6.648 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.662 8.069 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.804 8.259 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.506 6.317 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.703 7.915 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.175 7.498 -4.924 1.00 0.00 H new ATOM 582 N THR A 41 -4.139 10.028 -1.518 1.00 0.00 N ATOM 583 CA THR A 41 -2.917 10.213 -0.746 1.00 0.00 C ATOM 584 C THR A 41 -2.883 9.283 0.462 1.00 0.00 C ATOM 585 O THR A 41 -3.797 9.288 1.287 1.00 0.00 O ATOM 586 CB THR A 41 -2.772 11.669 -0.264 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.115 12.571 -1.321 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.351 11.945 0.204 1.00 0.00 C ATOM 0 H THR A 41 -4.994 10.276 -1.020 1.00 0.00 H new ATOM 0 HA THR A 41 -2.085 9.973 -1.409 1.00 0.00 H new ATOM 0 HB THR A 41 -3.450 11.820 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.022 13.494 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.273 12.979 0.540 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.103 11.276 1.028 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.658 11.778 -0.620 1.00 0.00 H new ATOM 596 N VAL A 42 -1.824 8.486 0.560 1.00 0.00 N ATOM 597 CA VAL A 42 -1.671 7.552 1.669 1.00 0.00 C ATOM 598 C VAL A 42 -0.211 7.442 2.097 1.00 0.00 C ATOM 599 O VAL A 42 0.694 7.838 1.362 1.00 0.00 O ATOM 600 CB VAL A 42 -2.193 6.151 1.299 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.435 6.258 0.427 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.108 5.346 0.600 1.00 0.00 C ATOM 0 H VAL A 42 -1.059 8.468 -0.115 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.261 7.944 2.497 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.466 5.629 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.790 5.259 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.214 6.794 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.192 6.798 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.494 4.359 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.802 5.861 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.249 5.240 1.263 1.00 0.00 H new ATOM 612 N HIS A 43 0.010 6.900 3.290 1.00 0.00 N ATOM 613 CA HIS A 43 1.361 6.735 3.816 1.00 0.00 C ATOM 614 C HIS A 43 1.794 5.274 3.754 1.00 0.00 C ATOM 615 O HIS A 43 1.219 4.416 4.425 1.00 0.00 O ATOM 616 CB HIS A 43 1.435 7.241 5.257 1.00 0.00 C ATOM 617 CG HIS A 43 2.820 7.225 5.827 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.887 6.445 5.538 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 3.234 8.087 6.821 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.917 6.846 6.354 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.497 7.838 7.117 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.728 6.568 3.911 1.00 0.00 H new ATOM 0 HA HIS A 43 2.039 7.322 3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.046 8.259 5.296 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.786 6.628 5.883 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.622 8.846 7.285 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.909 6.419 6.369 1.00 0.00 H new ATOM 0 HE2 HIS A 43 5.054 8.329 7.817 1.00 0.00 H new ATOM 630 N LEU A 44 2.811 4.997 2.944 1.00 0.00 N ATOM 631 CA LEU A 44 3.321 3.639 2.794 1.00 0.00 C ATOM 632 C LEU A 44 4.822 3.589 3.058 1.00 0.00 C ATOM 633 O LEU A 44 5.502 4.614 3.026 1.00 0.00 O ATOM 634 CB LEU A 44 3.021 3.113 1.389 1.00 0.00 C ATOM 635 CG LEU A 44 4.105 3.351 0.338 1.00 0.00 C ATOM 636 CD1 LEU A 44 4.485 4.823 0.287 1.00 0.00 C ATOM 637 CD2 LEU A 44 5.327 2.493 0.627 1.00 0.00 C ATOM 0 H LEU A 44 3.298 5.695 2.382 1.00 0.00 H new ATOM 0 HA LEU A 44 2.821 3.006 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.837 2.041 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.097 3.574 1.040 1.00 0.00 H new ATOM 0 HG LEU A 44 3.708 3.065 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.258 4.973 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.608 5.417 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.862 5.135 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.088 2.676 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.726 2.747 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.045 1.440 0.611 1.00 0.00 H new ATOM 649 N GLN A 45 5.333 2.389 3.317 1.00 0.00 N ATOM 650 CA GLN A 45 6.754 2.206 3.585 1.00 0.00 C ATOM 651 C GLN A 45 7.225 0.834 3.112 1.00 0.00 C ATOM 652 O GLN A 45 6.771 -0.196 3.611 1.00 0.00 O ATOM 653 CB GLN A 45 7.038 2.369 5.079 1.00 0.00 C ATOM 654 CG GLN A 45 6.548 3.689 5.651 1.00 0.00 C ATOM 655 CD GLN A 45 7.081 3.955 7.045 1.00 0.00 C ATOM 656 OE1 GLN A 45 8.389 3.806 7.217 1.00 0.00 O flip ATOM 657 NE2 GLN A 45 6.325 4.290 7.957 1.00 0.00 N flip ATOM 0 H GLN A 45 4.784 1.530 3.347 1.00 0.00 H new ATOM 0 HA GLN A 45 7.303 2.969 3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.566 1.550 5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.112 2.286 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.850 4.501 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.458 3.687 5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.326 4.392 7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.698 4.465 8.890 1.00 0.00 H new ATOM 666 N THR A 46 8.138 0.827 2.146 1.00 0.00 N ATOM 667 CA THR A 46 8.669 -0.417 1.605 1.00 0.00 C ATOM 668 C THR A 46 9.845 -0.920 2.435 1.00 0.00 C ATOM 669 O THR A 46 10.849 -0.226 2.591 1.00 0.00 O ATOM 670 CB THR A 46 9.123 -0.246 0.143 1.00 0.00 C ATOM 671 OG1 THR A 46 8.159 0.525 -0.582 1.00 0.00 O ATOM 672 CG2 THR A 46 9.308 -1.598 -0.529 1.00 0.00 C ATOM 0 H THR A 46 8.525 1.670 1.722 1.00 0.00 H new ATOM 0 HA THR A 46 7.861 -1.148 1.643 1.00 0.00 H new ATOM 0 HB THR A 46 10.080 0.276 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.456 0.631 -1.510 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.629 -1.451 -1.560 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.064 -2.171 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.364 -2.143 -0.517 1.00 0.00 H new ATOM 680 N SER A 47 9.714 -2.132 2.965 1.00 0.00 N ATOM 681 CA SER A 47 10.765 -2.727 3.782 1.00 0.00 C ATOM 682 C SER A 47 10.901 -4.218 3.491 1.00 0.00 C ATOM 683 O SER A 47 9.905 -4.937 3.392 1.00 0.00 O ATOM 684 CB SER A 47 10.470 -2.510 5.267 1.00 0.00 C ATOM 685 OG SER A 47 9.754 -1.305 5.474 1.00 0.00 O ATOM 0 H SER A 47 8.890 -2.721 2.843 1.00 0.00 H new ATOM 0 HA SER A 47 11.707 -2.239 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.893 -3.350 5.653 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.405 -2.482 5.826 1.00 0.00 H new ATOM 0 HG SER A 47 9.701 -1.117 6.434 1.00 0.00 H new ATOM 691 N LEU A 48 12.140 -4.678 3.355 1.00 0.00 N ATOM 692 CA LEU A 48 12.408 -6.084 3.076 1.00 0.00 C ATOM 693 C LEU A 48 11.724 -6.983 4.101 1.00 0.00 C ATOM 694 O LEU A 48 11.442 -6.559 5.221 1.00 0.00 O ATOM 695 CB LEU A 48 13.915 -6.346 3.076 1.00 0.00 C ATOM 696 CG LEU A 48 14.620 -6.208 1.726 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.266 -7.374 0.817 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.256 -4.885 1.067 1.00 0.00 C ATOM 0 H LEU A 48 12.975 -4.097 3.433 1.00 0.00 H new ATOM 0 HA LEU A 48 12.005 -6.316 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.383 -5.658 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.088 -7.354 3.453 1.00 0.00 H new ATOM 0 HG LEU A 48 15.696 -6.222 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.777 -7.258 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.578 -8.308 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.189 -7.393 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.767 -4.804 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.178 -4.841 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.562 -4.061 1.712 1.00 0.00 H new ATOM 710 N GLU A 49 11.464 -8.227 3.710 1.00 0.00 N ATOM 711 CA GLU A 49 10.815 -9.185 4.597 1.00 0.00 C ATOM 712 C GLU A 49 11.628 -9.384 5.872 1.00 0.00 C ATOM 713 O GLU A 49 11.082 -9.718 6.923 1.00 0.00 O ATOM 714 CB GLU A 49 10.627 -10.526 3.884 1.00 0.00 C ATOM 715 CG GLU A 49 9.831 -11.538 4.692 1.00 0.00 C ATOM 716 CD GLU A 49 10.192 -12.971 4.350 1.00 0.00 C ATOM 717 OE1 GLU A 49 11.399 -13.267 4.233 1.00 0.00 O ATOM 718 OE2 GLU A 49 9.266 -13.795 4.199 1.00 0.00 O ATOM 0 H GLU A 49 11.693 -8.594 2.786 1.00 0.00 H new ATOM 0 HA GLU A 49 9.838 -8.786 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.122 -10.355 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.606 -10.946 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.005 -11.367 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.767 -11.383 4.514 1.00 0.00 H new ATOM 725 N ASN A 50 12.937 -9.177 5.771 1.00 0.00 N ATOM 726 CA ASN A 50 13.827 -9.334 6.916 1.00 0.00 C ATOM 727 C ASN A 50 13.726 -8.134 7.852 1.00 0.00 C ATOM 728 O ASN A 50 13.624 -8.289 9.068 1.00 0.00 O ATOM 729 CB ASN A 50 15.272 -9.507 6.444 1.00 0.00 C ATOM 730 CG ASN A 50 15.566 -8.724 5.180 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.262 -9.172 4.074 1.00 0.00 O ATOM 732 ND2 ASN A 50 16.160 -7.547 5.338 1.00 0.00 N ATOM 0 H ASN A 50 13.405 -8.900 4.908 1.00 0.00 H new ATOM 0 HA ASN A 50 13.521 -10.226 7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.950 -9.184 7.234 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.469 -10.564 6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.382 -6.975 4.524 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.394 -7.215 6.274 1.00 0.00 H new ATOM 739 N GLY A 51 13.754 -6.936 7.276 1.00 0.00 N ATOM 740 CA GLY A 51 13.664 -5.727 8.073 1.00 0.00 C ATOM 741 C GLY A 51 14.621 -4.650 7.603 1.00 0.00 C ATOM 742 O GLY A 51 15.390 -4.103 8.394 1.00 0.00 O ATOM 0 H GLY A 51 13.837 -6.781 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.644 -5.345 8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.875 -5.966 9.115 1.00 0.00 H new ATOM 746 N THR A 52 14.577 -4.344 6.309 1.00 0.00 N ATOM 747 CA THR A 52 15.449 -3.328 5.734 1.00 0.00 C ATOM 748 C THR A 52 14.654 -2.328 4.902 1.00 0.00 C ATOM 749 O THR A 52 14.446 -2.529 3.705 1.00 0.00 O ATOM 750 CB THR A 52 16.541 -3.960 4.851 1.00 0.00 C ATOM 751 OG1 THR A 52 17.346 -4.852 5.630 1.00 0.00 O ATOM 752 CG2 THR A 52 17.423 -2.886 4.230 1.00 0.00 C ATOM 0 H THR A 52 13.946 -4.786 5.640 1.00 0.00 H new ATOM 0 HA THR A 52 15.922 -2.808 6.567 1.00 0.00 H new ATOM 0 HB THR A 52 16.053 -4.516 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 52 18.037 -5.251 5.061 1.00 0.00 H new ATOM 0 HG21 THR A 52 18.187 -3.356 3.611 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.813 -2.225 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.902 -2.307 5.020 1.00 0.00 H new ATOM 760 N ARG A 53 14.212 -1.251 5.542 1.00 0.00 N ATOM 761 CA ARG A 53 13.439 -0.220 4.861 1.00 0.00 C ATOM 762 C ARG A 53 14.141 0.230 3.583 1.00 0.00 C ATOM 763 O ARG A 53 15.216 0.829 3.631 1.00 0.00 O ATOM 764 CB ARG A 53 13.221 0.979 5.785 1.00 0.00 C ATOM 765 CG ARG A 53 11.916 0.919 6.563 1.00 0.00 C ATOM 766 CD ARG A 53 11.373 2.310 6.849 1.00 0.00 C ATOM 767 NE ARG A 53 11.840 2.827 8.132 1.00 0.00 N ATOM 768 CZ ARG A 53 12.992 3.470 8.291 1.00 0.00 C ATOM 769 NH1 ARG A 53 13.789 3.675 7.252 1.00 0.00 N ATOM 770 NH2 ARG A 53 13.347 3.910 9.491 1.00 0.00 N ATOM 0 H ARG A 53 14.376 -1.070 6.532 1.00 0.00 H new ATOM 0 HA ARG A 53 12.471 -0.644 4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.051 1.040 6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.238 1.893 5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.179 0.349 5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.075 0.389 7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.677 2.989 6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.283 2.282 6.845 1.00 0.00 H new ATOM 0 HE ARG A 53 11.249 2.687 8.952 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.519 3.339 6.328 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.673 4.169 7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.736 3.755 10.293 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.231 4.403 9.612 1.00 0.00 H new ATOM 784 N VAL A 54 13.526 -0.062 2.441 1.00 0.00 N ATOM 785 CA VAL A 54 14.092 0.313 1.151 1.00 0.00 C ATOM 786 C VAL A 54 13.653 1.716 0.746 1.00 0.00 C ATOM 787 O VAL A 54 14.359 2.410 0.014 1.00 0.00 O ATOM 788 CB VAL A 54 13.680 -0.680 0.048 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.341 -0.316 -1.273 1.00 0.00 C ATOM 790 CG2 VAL A 54 14.031 -2.103 0.455 1.00 0.00 C ATOM 0 H VAL A 54 12.636 -0.557 2.383 1.00 0.00 H new ATOM 0 HA VAL A 54 15.176 0.292 1.262 1.00 0.00 H new ATOM 0 HB VAL A 54 12.600 -0.620 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 54 14.038 -1.029 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.035 0.687 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.425 -0.346 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.733 -2.792 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.106 -2.180 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.506 -2.358 1.375 1.00 0.00 H new ATOM 800 N GLN A 55 12.484 2.127 1.226 1.00 0.00 N ATOM 801 CA GLN A 55 11.952 3.448 0.914 1.00 0.00 C ATOM 802 C GLN A 55 10.717 3.750 1.756 1.00 0.00 C ATOM 803 O GLN A 55 9.940 2.853 2.079 1.00 0.00 O ATOM 804 CB GLN A 55 11.604 3.542 -0.573 1.00 0.00 C ATOM 805 CG GLN A 55 10.300 2.851 -0.938 1.00 0.00 C ATOM 806 CD GLN A 55 9.606 3.501 -2.119 1.00 0.00 C ATOM 807 OE1 GLN A 55 9.191 2.823 -3.059 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.477 4.822 -2.077 1.00 0.00 N ATOM 0 H GLN A 55 11.887 1.564 1.832 1.00 0.00 H new ATOM 0 HA GLN A 55 12.719 4.186 1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.541 4.592 -0.857 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.414 3.103 -1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.500 1.805 -1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.632 2.865 -0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.836 5.344 -1.278 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.019 5.314 -2.844 1.00 0.00 H new ATOM 817 N GLU A 56 10.545 5.020 2.110 1.00 0.00 N ATOM 818 CA GLU A 56 9.405 5.440 2.916 1.00 0.00 C ATOM 819 C GLU A 56 8.832 6.759 2.405 1.00 0.00 C ATOM 820 O GLU A 56 9.572 7.702 2.128 1.00 0.00 O ATOM 821 CB GLU A 56 9.815 5.585 4.383 1.00 0.00 C ATOM 822 CG GLU A 56 10.410 6.943 4.718 1.00 0.00 C ATOM 823 CD GLU A 56 11.396 6.880 5.868 1.00 0.00 C ATOM 824 OE1 GLU A 56 10.946 6.835 7.032 1.00 0.00 O ATOM 825 OE2 GLU A 56 12.616 6.877 5.604 1.00 0.00 O ATOM 0 H GLU A 56 11.180 5.775 1.851 1.00 0.00 H new ATOM 0 HA GLU A 56 8.634 4.673 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.943 5.414 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.541 4.810 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.911 7.344 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.607 7.635 4.970 1.00 0.00 H new ATOM 832 N GLU A 57 7.510 6.815 2.281 1.00 0.00 N ATOM 833 CA GLU A 57 6.838 8.017 1.801 1.00 0.00 C ATOM 834 C GLU A 57 5.632 8.352 2.674 1.00 0.00 C ATOM 835 O GLU A 57 4.601 7.680 2.636 1.00 0.00 O ATOM 836 CB GLU A 57 6.395 7.834 0.348 1.00 0.00 C ATOM 837 CG GLU A 57 6.416 9.121 -0.461 1.00 0.00 C ATOM 838 CD GLU A 57 5.830 8.947 -1.849 1.00 0.00 C ATOM 839 OE1 GLU A 57 5.767 7.795 -2.327 1.00 0.00 O ATOM 840 OE2 GLU A 57 5.433 9.964 -2.456 1.00 0.00 O ATOM 0 H GLU A 57 6.883 6.042 2.506 1.00 0.00 H new ATOM 0 HA GLU A 57 7.545 8.845 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.045 7.102 -0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.386 7.422 0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.856 9.890 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.443 9.476 -0.546 1.00 0.00 H new ATOM 847 N PRO A 58 5.763 9.415 3.481 1.00 0.00 N ATOM 848 CA PRO A 58 4.695 9.864 4.379 1.00 0.00 C ATOM 849 C PRO A 58 3.514 10.461 3.622 1.00 0.00 C ATOM 850 O PRO A 58 2.363 10.300 4.025 1.00 0.00 O ATOM 851 CB PRO A 58 5.378 10.934 5.234 1.00 0.00 C ATOM 852 CG PRO A 58 6.497 11.438 4.390 1.00 0.00 C ATOM 853 CD PRO A 58 6.964 10.262 3.577 1.00 0.00 C ATOM 0 HA PRO A 58 4.275 9.041 4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.686 11.735 5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.746 10.516 6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.164 12.251 3.745 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.305 11.831 5.007 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.319 10.569 2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.787 9.739 4.064 1.00 0.00 H new ATOM 861 N GLU A 59 3.808 11.150 2.523 1.00 0.00 N ATOM 862 CA GLU A 59 2.768 11.770 1.711 1.00 0.00 C ATOM 863 C GLU A 59 2.835 11.274 0.269 1.00 0.00 C ATOM 864 O GLU A 59 3.277 11.994 -0.627 1.00 0.00 O ATOM 865 CB GLU A 59 2.905 13.294 1.744 1.00 0.00 C ATOM 866 CG GLU A 59 1.869 14.017 0.900 1.00 0.00 C ATOM 867 CD GLU A 59 1.694 15.467 1.308 1.00 0.00 C ATOM 868 OE1 GLU A 59 2.680 16.075 1.775 1.00 0.00 O ATOM 869 OE2 GLU A 59 0.572 15.994 1.159 1.00 0.00 O ATOM 0 H GLU A 59 4.756 11.292 2.176 1.00 0.00 H new ATOM 0 HA GLU A 59 1.801 11.490 2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.823 13.635 2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.901 13.568 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.164 13.971 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.912 13.501 0.985 1.00 0.00 H new ATOM 876 N LEU A 60 2.394 10.040 0.054 1.00 0.00 N ATOM 877 CA LEU A 60 2.404 9.445 -1.278 1.00 0.00 C ATOM 878 C LEU A 60 1.093 9.721 -2.007 1.00 0.00 C ATOM 879 O LEU A 60 0.020 9.332 -1.546 1.00 0.00 O ATOM 880 CB LEU A 60 2.641 7.937 -1.184 1.00 0.00 C ATOM 881 CG LEU A 60 2.255 7.118 -2.416 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.743 7.004 -2.530 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.841 7.742 -3.675 1.00 0.00 C ATOM 0 H LEU A 60 2.025 9.432 0.785 1.00 0.00 H new ATOM 0 HA LEU A 60 3.217 9.899 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.698 7.768 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.083 7.555 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 60 2.666 6.115 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.488 6.418 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.347 6.513 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.309 8.000 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.557 7.146 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.459 8.756 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.928 7.771 -3.595 1.00 0.00 H new ATOM 895 N VAL A 61 1.187 10.393 -3.150 1.00 0.00 N ATOM 896 CA VAL A 61 0.009 10.718 -3.945 1.00 0.00 C ATOM 897 C VAL A 61 0.092 10.092 -5.333 1.00 0.00 C ATOM 898 O VAL A 61 1.179 9.937 -5.891 1.00 0.00 O ATOM 899 CB VAL A 61 -0.167 12.241 -4.091 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.138 12.891 -4.525 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.282 12.556 -5.077 1.00 0.00 C ATOM 0 H VAL A 61 2.067 10.723 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.852 10.309 -3.416 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.444 12.652 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.994 13.967 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.908 12.694 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.449 12.478 -5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.393 13.637 -5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.037 12.133 -6.051 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.217 12.124 -4.719 1.00 0.00 H new ATOM 911 N PHE A 62 -1.062 9.733 -5.884 1.00 0.00 N ATOM 912 CA PHE A 62 -1.120 9.123 -7.208 1.00 0.00 C ATOM 913 C PHE A 62 -2.555 9.085 -7.726 1.00 0.00 C ATOM 914 O PHE A 62 -3.502 9.360 -6.989 1.00 0.00 O ATOM 915 CB PHE A 62 -0.543 7.706 -7.165 1.00 0.00 C ATOM 916 CG PHE A 62 -1.406 6.730 -6.418 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.609 6.297 -6.953 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.015 6.245 -5.180 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.405 5.400 -6.267 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.807 5.347 -4.490 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.003 4.923 -5.035 1.00 0.00 C ATOM 0 H PHE A 62 -1.970 9.854 -5.435 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.523 9.730 -7.888 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.403 7.348 -8.185 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.442 7.737 -6.700 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.928 6.665 -7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.080 6.573 -4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.341 5.072 -6.694 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.491 4.977 -3.526 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.623 4.220 -4.499 1.00 0.00 H new ATOM 931 N THR A 63 -2.707 8.742 -9.002 1.00 0.00 N ATOM 932 CA THR A 63 -4.025 8.669 -9.621 1.00 0.00 C ATOM 933 C THR A 63 -4.511 7.227 -9.711 1.00 0.00 C ATOM 934 O THR A 63 -4.047 6.456 -10.553 1.00 0.00 O ATOM 935 CB THR A 63 -4.017 9.285 -11.033 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.752 10.690 -10.953 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.348 9.053 -11.732 1.00 0.00 C ATOM 0 H THR A 63 -1.934 8.511 -9.626 1.00 0.00 H new ATOM 0 HA THR A 63 -4.704 9.239 -8.987 1.00 0.00 H new ATOM 0 HB THR A 63 -3.231 8.800 -11.613 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.747 11.074 -11.855 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.319 9.497 -12.727 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.532 7.982 -11.818 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.148 9.514 -11.153 1.00 0.00 H new ATOM 945 N LEU A 64 -5.447 6.868 -8.840 1.00 0.00 N ATOM 946 CA LEU A 64 -5.998 5.517 -8.822 1.00 0.00 C ATOM 947 C LEU A 64 -6.433 5.087 -10.219 1.00 0.00 C ATOM 948 O LEU A 64 -7.114 5.830 -10.924 1.00 0.00 O ATOM 949 CB LEU A 64 -7.185 5.442 -7.860 1.00 0.00 C ATOM 950 CG LEU A 64 -7.839 4.068 -7.707 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.817 3.038 -7.251 1.00 0.00 C ATOM 952 CD2 LEU A 64 -9.002 4.137 -6.728 1.00 0.00 C ATOM 0 H LEU A 64 -5.841 7.493 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.217 4.838 -8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.852 5.775 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.944 6.148 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.225 3.761 -8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.301 2.067 -7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.017 2.968 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.400 3.340 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.455 3.150 -6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.639 4.466 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.746 4.844 -7.096 1.00 0.00 H new ATOM 964 N GLY A 65 -6.035 3.881 -10.612 1.00 0.00 N ATOM 965 CA GLY A 65 -6.395 3.372 -11.923 1.00 0.00 C ATOM 966 C GLY A 65 -5.248 3.453 -12.911 1.00 0.00 C ATOM 967 O GLY A 65 -5.214 2.713 -13.894 1.00 0.00 O ATOM 0 H GLY A 65 -5.470 3.247 -10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.718 2.335 -11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.243 3.937 -12.309 1.00 0.00 H new ATOM 971 N ASP A 66 -4.308 4.355 -12.651 1.00 0.00 N ATOM 972 CA ASP A 66 -3.155 4.530 -13.526 1.00 0.00 C ATOM 973 C ASP A 66 -1.961 3.727 -13.019 1.00 0.00 C ATOM 974 O ASP A 66 -0.832 3.922 -13.471 1.00 0.00 O ATOM 975 CB ASP A 66 -2.784 6.011 -13.626 1.00 0.00 C ATOM 976 CG ASP A 66 -3.533 6.722 -14.736 1.00 0.00 C ATOM 977 OD1 ASP A 66 -3.097 6.624 -15.902 1.00 0.00 O ATOM 978 OD2 ASP A 66 -4.554 7.377 -14.439 1.00 0.00 O ATOM 0 H ASP A 66 -4.322 4.976 -11.842 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.423 4.163 -14.517 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.997 6.501 -12.676 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.712 6.103 -13.798 1.00 0.00 H new ATOM 983 N CYS A 67 -2.218 2.826 -12.078 1.00 0.00 N ATOM 984 CA CYS A 67 -1.164 1.995 -11.507 1.00 0.00 C ATOM 985 C CYS A 67 0.135 2.782 -11.369 1.00 0.00 C ATOM 986 O CYS A 67 1.222 2.249 -11.588 1.00 0.00 O ATOM 987 CB CYS A 67 -0.934 0.758 -12.378 1.00 0.00 C ATOM 988 SG CYS A 67 -0.290 -0.670 -11.475 1.00 0.00 S ATOM 0 H CYS A 67 -3.147 2.652 -11.694 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.483 1.678 -10.514 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.875 0.480 -12.852 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.238 1.013 -13.177 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.131 -1.666 -12.295 1.00 0.00 H new ATOM 994 N ASP A 68 0.013 4.054 -11.005 1.00 0.00 N ATOM 995 CA ASP A 68 1.177 4.916 -10.837 1.00 0.00 C ATOM 996 C ASP A 68 2.003 4.486 -9.629 1.00 0.00 C ATOM 997 O ASP A 68 3.084 5.020 -9.380 1.00 0.00 O ATOM 998 CB ASP A 68 0.741 6.373 -10.679 1.00 0.00 C ATOM 999 CG ASP A 68 0.546 7.067 -12.013 1.00 0.00 C ATOM 1000 OD1 ASP A 68 1.488 7.050 -12.834 1.00 0.00 O ATOM 1001 OD2 ASP A 68 -0.548 7.626 -12.237 1.00 0.00 O ATOM 0 H ASP A 68 -0.880 4.511 -10.821 1.00 0.00 H new ATOM 0 HA ASP A 68 1.797 4.825 -11.729 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.190 6.411 -10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.489 6.912 -10.098 1.00 0.00 H new ATOM 1006 N VAL A 69 1.486 3.517 -8.880 1.00 0.00 N ATOM 1007 CA VAL A 69 2.175 3.015 -7.697 1.00 0.00 C ATOM 1008 C VAL A 69 2.242 1.492 -7.706 1.00 0.00 C ATOM 1009 O VAL A 69 1.674 0.840 -8.583 1.00 0.00 O ATOM 1010 CB VAL A 69 1.480 3.479 -6.403 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.712 4.966 -6.177 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.007 3.165 -6.455 1.00 0.00 C ATOM 0 H VAL A 69 0.592 3.064 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 69 3.186 3.421 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 69 1.913 2.936 -5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.214 5.276 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.782 5.159 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.307 5.529 -7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.482 3.500 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.458 3.680 -7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.148 2.090 -6.566 1.00 0.00 H new ATOM 1022 N ILE A 70 2.939 0.930 -6.724 1.00 0.00 N ATOM 1023 CA ILE A 70 3.079 -0.517 -6.618 1.00 0.00 C ATOM 1024 C ILE A 70 1.759 -1.220 -6.913 1.00 0.00 C ATOM 1025 O ILE A 70 0.685 -0.679 -6.651 1.00 0.00 O ATOM 1026 CB ILE A 70 3.568 -0.934 -5.218 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.653 0.026 -4.726 1.00 0.00 C ATOM 1028 CG2 ILE A 70 4.089 -2.363 -5.243 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.709 0.328 -5.766 1.00 0.00 C ATOM 0 H ILE A 70 3.415 1.455 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 70 3.821 -0.817 -7.358 1.00 0.00 H new ATOM 0 HB ILE A 70 2.727 -0.887 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.186 0.960 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.133 -0.401 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.431 -2.643 -4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.290 -3.036 -5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.920 -2.435 -5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.445 1.015 -5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.203 -0.597 -6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.241 0.785 -6.638 1.00 0.00 H new ATOM 1041 N GLN A 71 1.847 -2.429 -7.459 1.00 0.00 N ATOM 1042 CA GLN A 71 0.659 -3.207 -7.789 1.00 0.00 C ATOM 1043 C GLN A 71 -0.012 -3.738 -6.526 1.00 0.00 C ATOM 1044 O GLN A 71 -1.162 -4.174 -6.559 1.00 0.00 O ATOM 1045 CB GLN A 71 1.025 -4.369 -8.713 1.00 0.00 C ATOM 1046 CG GLN A 71 0.989 -4.006 -10.189 1.00 0.00 C ATOM 1047 CD GLN A 71 1.227 -5.202 -11.090 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.335 -5.735 -11.153 1.00 0.00 O ATOM 1049 NE2 GLN A 71 0.185 -5.631 -11.793 1.00 0.00 N ATOM 0 H GLN A 71 2.729 -2.891 -7.682 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.043 -2.551 -8.303 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.024 -4.724 -8.459 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.338 -5.196 -8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.022 -3.563 -10.427 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.745 -3.247 -10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.715 -5.159 -11.710 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.285 -6.432 -12.416 1.00 0.00 H new ATOM 1058 N ALA A 72 0.715 -3.697 -5.414 1.00 0.00 N ATOM 1059 CA ALA A 72 0.190 -4.173 -4.140 1.00 0.00 C ATOM 1060 C ALA A 72 -0.438 -3.033 -3.346 1.00 0.00 C ATOM 1061 O ALA A 72 -1.103 -3.261 -2.334 1.00 0.00 O ATOM 1062 CB ALA A 72 1.292 -4.839 -3.330 1.00 0.00 C ATOM 0 H ALA A 72 1.669 -3.339 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.587 -4.908 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.885 -5.189 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.693 -5.685 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.089 -4.120 -3.140 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.223 -1.807 -3.808 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.767 -0.630 -3.140 1.00 0.00 C ATOM 1070 C LEU A 73 -1.978 -0.088 -3.892 1.00 0.00 C ATOM 1071 O LEU A 73 -2.980 0.292 -3.286 1.00 0.00 O ATOM 1072 CB LEU A 73 0.304 0.456 -3.023 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.203 1.899 -2.997 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.011 2.158 -1.735 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.960 2.874 -3.099 1.00 0.00 C ATOM 0 H LEU A 73 0.325 -1.601 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.086 -0.925 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.877 0.277 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.994 0.349 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.855 2.051 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.363 3.189 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.866 1.482 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.384 1.988 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.581 3.896 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.637 2.722 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.496 2.704 -4.033 1.00 0.00 H new ATOM 1087 N ASP A 74 -1.879 -0.056 -5.217 1.00 0.00 N ATOM 1088 CA ASP A 74 -2.967 0.437 -6.053 1.00 0.00 C ATOM 1089 C ASP A 74 -4.116 -0.567 -6.098 1.00 0.00 C ATOM 1090 O ASP A 74 -5.280 -0.188 -6.233 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.463 0.717 -7.470 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.240 1.826 -8.152 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -3.394 2.905 -7.541 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -3.692 1.616 -9.296 1.00 0.00 O ATOM 0 H ASP A 74 -1.056 -0.366 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.336 1.365 -5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.408 0.988 -7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.536 -0.193 -8.065 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.780 -1.847 -5.984 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.784 -2.906 -6.012 1.00 0.00 C ATOM 1101 C LEU A 75 -5.441 -3.069 -4.645 1.00 0.00 C ATOM 1102 O LEU A 75 -6.350 -3.882 -4.476 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.147 -4.227 -6.445 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.758 -4.334 -7.920 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.146 -3.029 -8.406 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.794 -5.491 -8.136 1.00 0.00 C ATOM 0 H LEU A 75 -2.821 -2.177 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.552 -2.626 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.254 -4.391 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.841 -5.035 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.660 -4.527 -8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.875 -3.124 -9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.869 -2.222 -8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.254 -2.805 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.529 -5.551 -9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.893 -5.329 -7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.269 -6.422 -7.827 1.00 0.00 H new ATOM 1118 N SER A 76 -4.977 -2.289 -3.674 1.00 0.00 N ATOM 1119 CA SER A 76 -5.519 -2.349 -2.322 1.00 0.00 C ATOM 1120 C SER A 76 -6.182 -1.027 -1.944 1.00 0.00 C ATOM 1121 O SER A 76 -7.119 -0.995 -1.146 1.00 0.00 O ATOM 1122 CB SER A 76 -4.412 -2.682 -1.320 1.00 0.00 C ATOM 1123 OG SER A 76 -3.309 -1.806 -1.469 1.00 0.00 O ATOM 0 H SER A 76 -4.227 -1.609 -3.798 1.00 0.00 H new ATOM 0 HA SER A 76 -6.273 -3.136 -2.294 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.803 -2.611 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.085 -3.712 -1.464 1.00 0.00 H new ATOM 0 HG SER A 76 -2.561 -2.289 -1.878 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.686 0.063 -2.522 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.229 1.388 -2.247 1.00 0.00 C ATOM 1131 C VAL A 77 -7.744 1.407 -2.417 1.00 0.00 C ATOM 1132 O VAL A 77 -8.492 1.751 -1.502 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.606 2.452 -3.171 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.603 3.567 -3.449 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.329 3.007 -2.558 1.00 0.00 C ATOM 0 H VAL A 77 -4.909 0.054 -3.183 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.980 1.624 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.351 1.981 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.146 4.309 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.487 3.152 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.892 4.039 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.902 3.757 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.556 3.464 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.612 2.198 -2.416 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.209 1.029 -3.617 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.640 0.993 -3.936 1.00 0.00 C ATOM 1147 C PRO A 78 -10.372 -0.119 -3.192 1.00 0.00 C ATOM 1148 O PRO A 78 -11.573 -0.319 -3.378 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.661 0.731 -5.444 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.373 0.038 -5.726 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.375 0.606 -4.755 1.00 0.00 C ATOM 0 HA PRO A 78 -10.146 1.913 -3.642 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.513 0.113 -5.727 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.741 1.661 -6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.473 -1.040 -5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.056 0.207 -6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.636 -0.138 -4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.828 1.444 -5.186 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.641 -0.841 -2.349 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.222 -1.933 -1.576 1.00 0.00 C ATOM 1161 C LEU A 79 -10.283 -1.579 -0.094 1.00 0.00 C ATOM 1162 O LEU A 79 -10.620 -2.418 0.742 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.407 -3.213 -1.773 1.00 0.00 C ATOM 1164 CG LEU A 79 -8.967 -3.514 -3.206 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.423 -4.930 -3.311 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.124 -3.312 -4.173 1.00 0.00 C ATOM 0 H LEU A 79 -8.646 -0.690 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.239 -2.098 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.517 -3.154 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.997 -4.055 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.170 -2.820 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.115 -5.126 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.565 -5.040 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.198 -5.640 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.792 -3.531 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.942 -3.981 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.468 -2.279 -4.118 1.00 0.00 H new ATOM 1178 N MET A 80 -9.956 -0.331 0.225 1.00 0.00 N ATOM 1179 CA MET A 80 -9.977 0.135 1.607 1.00 0.00 C ATOM 1180 C MET A 80 -10.829 1.392 1.744 1.00 0.00 C ATOM 1181 O MET A 80 -11.040 2.119 0.773 1.00 0.00 O ATOM 1182 CB MET A 80 -8.554 0.413 2.095 1.00 0.00 C ATOM 1183 CG MET A 80 -8.022 1.774 1.674 1.00 0.00 C ATOM 1184 SD MET A 80 -6.221 1.839 1.653 1.00 0.00 S ATOM 1185 CE MET A 80 -5.855 1.682 3.399 1.00 0.00 C ATOM 0 H MET A 80 -9.673 0.376 -0.454 1.00 0.00 H new ATOM 0 HA MET A 80 -10.418 -0.649 2.222 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.532 0.344 3.183 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.890 -0.362 1.713 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.402 2.017 0.682 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.401 2.535 2.356 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.862 2.084 3.600 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.595 2.236 3.977 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.885 0.630 3.684 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.316 1.642 2.954 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.146 2.813 3.218 1.00 0.00 C ATOM 1197 C ASP A 81 -11.309 3.954 3.786 1.00 0.00 C ATOM 1198 O ASP A 81 -10.471 3.747 4.664 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.273 2.457 4.189 1.00 0.00 C ATOM 1200 CG ASP A 81 -13.757 1.031 4.017 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -14.273 0.706 2.927 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -13.619 0.239 4.972 1.00 0.00 O ATOM 0 H ASP A 81 -11.151 1.050 3.768 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.581 3.141 2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.925 2.598 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.108 3.141 4.039 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.541 5.161 3.279 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.809 6.336 3.736 1.00 0.00 C ATOM 1209 C VAL A 82 -10.868 6.465 5.254 1.00 0.00 C ATOM 1210 O VAL A 82 -11.947 6.555 5.838 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.364 7.625 3.101 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -12.885 7.592 3.067 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.866 8.848 3.856 1.00 0.00 C ATOM 0 H VAL A 82 -12.230 5.350 2.551 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.773 6.203 3.426 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.003 7.688 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.259 8.511 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.217 6.737 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.270 7.505 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.268 9.750 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.196 8.794 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.777 8.878 3.823 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.699 6.472 5.888 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.639 6.590 7.333 1.00 0.00 C ATOM 1225 C GLY A 83 -9.293 5.277 8.008 1.00 0.00 C ATOM 1226 O GLY A 83 -9.107 5.228 9.223 1.00 0.00 O ATOM 0 H GLY A 83 -8.793 6.398 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.896 7.341 7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.600 6.945 7.706 1.00 0.00 H new ATOM 1230 N GLU A 84 -9.209 4.212 7.218 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.885 2.892 7.748 1.00 0.00 C ATOM 1232 C GLU A 84 -7.485 2.462 7.320 1.00 0.00 C ATOM 1233 O GLU A 84 -7.099 2.626 6.162 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.914 1.862 7.277 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.337 0.469 7.088 1.00 0.00 C ATOM 1236 CD GLU A 84 -8.921 0.199 5.655 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -7.755 0.487 5.312 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -9.761 -0.298 4.876 1.00 0.00 O ATOM 0 H GLU A 84 -9.361 4.237 6.210 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.911 2.949 8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.726 1.814 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.347 2.198 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.474 0.346 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.077 -0.271 7.393 1.00 0.00 H new ATOM 1245 N THR A 85 -6.727 1.910 8.263 1.00 0.00 N ATOM 1246 CA THR A 85 -5.370 1.457 7.985 1.00 0.00 C ATOM 1247 C THR A 85 -5.351 -0.015 7.591 1.00 0.00 C ATOM 1248 O THR A 85 -5.868 -0.867 8.314 1.00 0.00 O ATOM 1249 CB THR A 85 -4.449 1.663 9.203 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.615 2.987 9.724 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.993 1.441 8.823 1.00 0.00 C ATOM 0 H THR A 85 -7.031 1.766 9.226 1.00 0.00 H new ATOM 0 HA THR A 85 -5.001 2.057 7.153 1.00 0.00 H new ATOM 0 HB THR A 85 -4.724 0.935 9.967 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.028 3.110 10.499 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.361 1.592 9.698 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.864 0.424 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.708 2.148 8.044 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.753 -0.307 6.442 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.664 -1.678 5.953 1.00 0.00 C ATOM 1261 C ALA A 86 -3.268 -1.982 5.421 1.00 0.00 C ATOM 1262 O ALA A 86 -2.626 -1.128 4.811 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.707 -1.922 4.873 1.00 0.00 C ATOM 0 H ALA A 86 -4.322 0.387 5.831 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.859 -2.349 6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.629 -2.949 4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.703 -1.755 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.538 -1.237 4.042 1.00 0.00 H new ATOM 1269 N MET A 87 -2.803 -3.205 5.658 1.00 0.00 N ATOM 1270 CA MET A 87 -1.482 -3.621 5.201 1.00 0.00 C ATOM 1271 C MET A 87 -1.587 -4.485 3.948 1.00 0.00 C ATOM 1272 O MET A 87 -2.631 -5.080 3.678 1.00 0.00 O ATOM 1273 CB MET A 87 -0.756 -4.391 6.306 1.00 0.00 C ATOM 1274 CG MET A 87 0.549 -5.023 5.850 1.00 0.00 C ATOM 1275 SD MET A 87 1.618 -5.481 7.228 1.00 0.00 S ATOM 1276 CE MET A 87 2.405 -3.912 7.581 1.00 0.00 C ATOM 0 H MET A 87 -3.321 -3.924 6.163 1.00 0.00 H new ATOM 0 HA MET A 87 -0.911 -2.725 4.956 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.552 -3.714 7.135 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.415 -5.172 6.687 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.330 -5.910 5.255 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.078 -4.326 5.201 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.098 -4.032 8.413 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.950 -3.572 6.700 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.646 -3.175 7.844 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.500 -4.549 3.186 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.470 -5.341 1.962 1.00 0.00 C ATOM 1288 C VAL A 88 0.865 -6.061 1.806 1.00 0.00 C ATOM 1289 O VAL A 88 1.929 -5.452 1.921 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.716 -4.464 0.720 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.027 -3.704 0.855 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.446 -3.506 0.506 1.00 0.00 C ATOM 0 H VAL A 88 0.372 -4.062 3.395 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.270 -6.077 2.042 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.788 -5.112 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.184 -3.090 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.849 -4.412 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.988 -3.065 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.255 -2.894 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.552 -2.862 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.365 -4.075 0.361 1.00 0.00 H new ATOM 1302 N THR A 89 0.802 -7.362 1.543 1.00 0.00 N ATOM 1303 CA THR A 89 2.006 -8.166 1.371 1.00 0.00 C ATOM 1304 C THR A 89 1.951 -8.968 0.075 1.00 0.00 C ATOM 1305 O THR A 89 1.297 -10.008 0.005 1.00 0.00 O ATOM 1306 CB THR A 89 2.208 -9.134 2.552 1.00 0.00 C ATOM 1307 OG1 THR A 89 0.988 -9.831 2.829 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.663 -8.383 3.795 1.00 0.00 C ATOM 0 H THR A 89 -0.070 -7.882 1.444 1.00 0.00 H new ATOM 0 HA THR A 89 2.846 -7.473 1.331 1.00 0.00 H new ATOM 0 HB THR A 89 2.981 -9.852 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.126 -10.446 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.799 -9.087 4.616 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.607 -7.878 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.909 -7.645 4.071 1.00 0.00 H new ATOM 1316 N ALA A 90 2.643 -8.478 -0.948 1.00 0.00 N ATOM 1317 CA ALA A 90 2.675 -9.151 -2.241 1.00 0.00 C ATOM 1318 C ALA A 90 4.101 -9.523 -2.631 1.00 0.00 C ATOM 1319 O ALA A 90 5.064 -8.968 -2.102 1.00 0.00 O ATOM 1320 CB ALA A 90 2.046 -8.270 -3.310 1.00 0.00 C ATOM 0 H ALA A 90 3.189 -7.617 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 90 2.097 -10.072 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.077 -8.785 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.010 -8.059 -3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.600 -7.334 -3.382 1.00 0.00 H new ATOM 1326 N ASP A 91 4.229 -10.466 -3.558 1.00 0.00 N ATOM 1327 CA ASP A 91 5.539 -10.912 -4.019 1.00 0.00 C ATOM 1328 C ASP A 91 6.227 -9.823 -4.836 1.00 0.00 C ATOM 1329 O ASP A 91 5.568 -9.000 -5.471 1.00 0.00 O ATOM 1330 CB ASP A 91 5.402 -12.185 -4.855 1.00 0.00 C ATOM 1331 CG ASP A 91 6.719 -12.619 -5.469 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.767 -12.428 -4.819 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.700 -13.149 -6.600 1.00 0.00 O ATOM 0 H ASP A 91 3.442 -10.936 -4.005 1.00 0.00 H new ATOM 0 HA ASP A 91 6.152 -11.126 -3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.015 -12.988 -4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.672 -12.019 -5.647 1.00 0.00 H new ATOM 1338 N SER A 92 7.556 -9.825 -4.814 1.00 0.00 N ATOM 1339 CA SER A 92 8.334 -8.835 -5.549 1.00 0.00 C ATOM 1340 C SER A 92 7.749 -8.608 -6.940 1.00 0.00 C ATOM 1341 O SER A 92 7.777 -7.494 -7.464 1.00 0.00 O ATOM 1342 CB SER A 92 9.792 -9.283 -5.663 1.00 0.00 C ATOM 1343 OG SER A 92 9.991 -10.083 -6.816 1.00 0.00 O ATOM 0 H SER A 92 8.116 -10.501 -4.295 1.00 0.00 H new ATOM 0 HA SER A 92 8.293 -7.895 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.442 -8.409 -5.706 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.073 -9.846 -4.773 1.00 0.00 H new ATOM 0 HG SER A 92 10.524 -9.586 -7.471 1.00 0.00 H new ATOM 1349 N LYS A 93 7.221 -9.673 -7.533 1.00 0.00 N ATOM 1350 CA LYS A 93 6.628 -9.592 -8.863 1.00 0.00 C ATOM 1351 C LYS A 93 5.662 -8.415 -8.958 1.00 0.00 C ATOM 1352 O LYS A 93 5.641 -7.696 -9.957 1.00 0.00 O ATOM 1353 CB LYS A 93 5.896 -10.894 -9.197 1.00 0.00 C ATOM 1354 CG LYS A 93 4.544 -11.024 -8.516 1.00 0.00 C ATOM 1355 CD LYS A 93 3.809 -12.274 -8.969 1.00 0.00 C ATOM 1356 CE LYS A 93 4.400 -13.527 -8.341 1.00 0.00 C ATOM 1357 NZ LYS A 93 3.818 -14.767 -8.924 1.00 0.00 N ATOM 0 H LYS A 93 7.191 -10.602 -7.114 1.00 0.00 H new ATOM 0 HA LYS A 93 7.432 -9.438 -9.583 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.757 -10.956 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.522 -11.738 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.681 -11.053 -7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.939 -10.145 -8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.755 -12.194 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.858 -12.352 -10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.480 -13.530 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.222 -13.513 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.247 -15.599 -8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.790 -14.776 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.010 -14.793 -9.946 1.00 0.00 H new ATOM 1371 N TYR A 94 4.866 -8.223 -7.912 1.00 0.00 N ATOM 1372 CA TYR A 94 3.898 -7.134 -7.879 1.00 0.00 C ATOM 1373 C TYR A 94 4.544 -5.846 -7.378 1.00 0.00 C ATOM 1374 O TYR A 94 4.063 -4.747 -7.658 1.00 0.00 O ATOM 1375 CB TYR A 94 2.713 -7.504 -6.985 1.00 0.00 C ATOM 1376 CG TYR A 94 1.912 -8.680 -7.497 1.00 0.00 C ATOM 1377 CD1 TYR A 94 1.092 -8.555 -8.612 1.00 0.00 C ATOM 1378 CD2 TYR A 94 1.976 -9.916 -6.866 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.358 -9.627 -9.083 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.247 -10.994 -7.331 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.439 -10.844 -8.439 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.289 -11.914 -8.904 1.00 0.00 O ATOM 0 H TYR A 94 4.872 -8.807 -7.076 1.00 0.00 H new ATOM 0 HA TYR A 94 3.541 -6.969 -8.895 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.081 -7.734 -5.985 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.055 -6.640 -6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.027 -7.604 -9.119 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.606 -10.036 -5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.275 -9.513 -9.950 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.310 -11.949 -6.830 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.118 -12.696 -8.339 1.00 0.00 H new ATOM 1392 N CYS A 95 5.637 -5.990 -6.637 1.00 0.00 N ATOM 1393 CA CYS A 95 6.351 -4.839 -6.096 1.00 0.00 C ATOM 1394 C CYS A 95 7.118 -4.109 -7.194 1.00 0.00 C ATOM 1395 O CYS A 95 6.773 -2.988 -7.567 1.00 0.00 O ATOM 1396 CB CYS A 95 7.314 -5.282 -4.993 1.00 0.00 C ATOM 1397 SG CYS A 95 6.511 -6.115 -3.604 1.00 0.00 S ATOM 0 H CYS A 95 6.048 -6.892 -6.397 1.00 0.00 H new ATOM 0 HA CYS A 95 5.617 -4.153 -5.674 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.059 -5.952 -5.423 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.848 -4.409 -4.619 1.00 0.00 H new ATOM 0 HG CYS A 95 6.039 -7.260 -3.999 1.00 0.00 H new ATOM 1403 N TYR A 96 8.161 -4.753 -7.707 1.00 0.00 N ATOM 1404 CA TYR A 96 8.980 -4.164 -8.760 1.00 0.00 C ATOM 1405 C TYR A 96 9.157 -5.137 -9.922 1.00 0.00 C ATOM 1406 O TYR A 96 9.293 -4.728 -11.074 1.00 0.00 O ATOM 1407 CB TYR A 96 10.348 -3.760 -8.206 1.00 0.00 C ATOM 1408 CG TYR A 96 10.301 -2.550 -7.300 1.00 0.00 C ATOM 1409 CD1 TYR A 96 10.036 -2.684 -5.943 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.522 -1.273 -7.801 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.991 -1.581 -5.111 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.481 -0.165 -6.977 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.215 -0.324 -5.633 1.00 0.00 C ATOM 1414 OH TYR A 96 10.173 0.776 -4.809 1.00 0.00 O ATOM 0 H TYR A 96 8.459 -5.682 -7.411 1.00 0.00 H new ATOM 0 HA TYR A 96 8.468 -3.275 -9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.770 -4.600 -7.655 1.00 0.00 H new ATOM 0 HB3 TYR A 96 11.021 -3.555 -9.038 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.862 -3.667 -5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.729 -1.144 -8.853 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.782 -1.703 -4.058 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.656 0.820 -7.383 1.00 0.00 H new ATOM 0 HH TYR A 96 9.244 0.959 -4.554 1.00 0.00 H new ATOM 1424 N GLY A 97 9.153 -6.429 -9.608 1.00 0.00 N ATOM 1425 CA GLY A 97 9.313 -7.442 -10.635 1.00 0.00 C ATOM 1426 C GLY A 97 10.437 -8.410 -10.325 1.00 0.00 C ATOM 1427 O GLY A 97 11.301 -8.144 -9.489 1.00 0.00 O ATOM 0 H GLY A 97 9.042 -6.792 -8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.380 -7.996 -10.743 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.509 -6.957 -11.592 1.00 0.00 H new ATOM 1431 N PRO A 98 10.436 -9.564 -11.009 1.00 0.00 N ATOM 1432 CA PRO A 98 11.456 -10.598 -10.818 1.00 0.00 C ATOM 1433 C PRO A 98 12.820 -10.172 -11.350 1.00 0.00 C ATOM 1434 O PRO A 98 13.796 -10.915 -11.247 1.00 0.00 O ATOM 1435 CB PRO A 98 10.915 -11.783 -11.622 1.00 0.00 C ATOM 1436 CG PRO A 98 10.039 -11.168 -12.659 1.00 0.00 C ATOM 1437 CD PRO A 98 9.437 -9.947 -12.021 1.00 0.00 C ATOM 0 HA PRO A 98 11.619 -10.820 -9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.724 -12.356 -12.076 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.355 -12.470 -10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.613 -10.902 -13.547 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.263 -11.864 -12.978 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.276 -9.151 -12.748 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.470 -10.165 -11.568 1.00 0.00 H new ATOM 1445 N GLN A 99 12.880 -8.972 -11.917 1.00 0.00 N ATOM 1446 CA GLN A 99 14.126 -8.448 -12.465 1.00 0.00 C ATOM 1447 C GLN A 99 14.823 -7.538 -11.459 1.00 0.00 C ATOM 1448 O GLN A 99 16.050 -7.456 -11.428 1.00 0.00 O ATOM 1449 CB GLN A 99 13.855 -7.681 -13.761 1.00 0.00 C ATOM 1450 CG GLN A 99 13.059 -6.402 -13.556 1.00 0.00 C ATOM 1451 CD GLN A 99 12.270 -6.003 -14.787 1.00 0.00 C ATOM 1452 OE1 GLN A 99 12.655 -5.088 -15.516 1.00 0.00 O ATOM 1453 NE2 GLN A 99 11.158 -6.688 -15.027 1.00 0.00 N ATOM 0 H GLN A 99 12.081 -8.344 -12.009 1.00 0.00 H new ATOM 0 HA GLN A 99 14.782 -9.292 -12.680 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.806 -7.435 -14.234 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.314 -8.329 -14.451 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.375 -6.535 -12.718 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.740 -5.594 -13.287 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.876 -7.439 -14.397 1.00 0.00 H new ATOM 0 HE22 GLN A 99 10.586 -6.463 -15.841 1.00 0.00 H new ATOM 1462 N GLY A 100 14.031 -6.856 -10.636 1.00 0.00 N ATOM 1463 CA GLY A 100 14.591 -5.962 -9.640 1.00 0.00 C ATOM 1464 C GLY A 100 14.290 -4.505 -9.935 1.00 0.00 C ATOM 1465 O GLY A 100 13.639 -4.188 -10.930 1.00 0.00 O ATOM 0 H GLY A 100 13.012 -6.907 -10.642 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.193 -6.221 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.671 -6.105 -9.594 1.00 0.00 H new ATOM 1529 N TYR A 105 17.186 0.276 -5.344 1.00 0.00 N ATOM 1530 CA TYR A 105 17.320 -1.055 -5.923 1.00 0.00 C ATOM 1531 C TYR A 105 16.709 -2.111 -5.008 1.00 0.00 C ATOM 1532 O TYR A 105 16.749 -1.986 -3.783 1.00 0.00 O ATOM 1533 CB TYR A 105 18.794 -1.377 -6.178 1.00 0.00 C ATOM 1534 CG TYR A 105 19.039 -2.814 -6.577 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.948 -3.839 -5.643 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.363 -3.148 -7.886 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.173 -5.155 -6.002 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.588 -4.460 -8.254 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.491 -5.460 -7.309 1.00 0.00 C ATOM 1540 OH TYR A 105 19.716 -6.768 -7.671 1.00 0.00 O ATOM 0 HA TYR A 105 16.783 -1.067 -6.871 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.170 -0.721 -6.964 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.367 -1.156 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.697 -3.604 -4.619 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.440 -2.368 -8.629 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.100 -5.940 -5.263 1.00 0.00 H new ATOM 0 HE2 TYR A 105 19.839 -4.702 -9.276 1.00 0.00 H new ATOM 0 HH TYR A 105 19.927 -6.811 -8.627 1.00 0.00 H new ATOM 1550 N ILE A 106 16.143 -3.151 -5.611 1.00 0.00 N ATOM 1551 CA ILE A 106 15.524 -4.231 -4.851 1.00 0.00 C ATOM 1552 C ILE A 106 15.809 -5.586 -5.490 1.00 0.00 C ATOM 1553 O ILE A 106 15.809 -5.736 -6.712 1.00 0.00 O ATOM 1554 CB ILE A 106 14.001 -4.038 -4.738 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.306 -4.540 -6.006 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.668 -2.575 -4.490 1.00 0.00 C ATOM 1557 CD1 ILE A 106 13.038 -6.029 -6.000 1.00 0.00 C ATOM 0 H ILE A 106 16.100 -3.269 -6.623 1.00 0.00 H new ATOM 0 HA ILE A 106 15.960 -4.205 -3.852 1.00 0.00 H new ATOM 0 HB ILE A 106 13.638 -4.621 -3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.361 -4.010 -6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.923 -4.294 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.587 -2.456 -4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.137 -2.247 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.041 -1.972 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.544 -6.314 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.981 -6.568 -5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.396 -6.280 -5.156 1.00 0.00 H new ATOM 1569 N PRO A 107 16.055 -6.598 -4.646 1.00 0.00 N ATOM 1570 CA PRO A 107 16.343 -7.960 -5.105 1.00 0.00 C ATOM 1571 C PRO A 107 15.120 -8.637 -5.715 1.00 0.00 C ATOM 1572 O PRO A 107 13.984 -8.415 -5.295 1.00 0.00 O ATOM 1573 CB PRO A 107 16.772 -8.683 -3.826 1.00 0.00 C ATOM 1574 CG PRO A 107 16.116 -7.925 -2.724 1.00 0.00 C ATOM 1575 CD PRO A 107 16.071 -6.492 -3.177 1.00 0.00 C ATOM 0 HA PRO A 107 17.097 -7.974 -5.892 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.453 -9.725 -3.834 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.856 -8.683 -3.716 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.113 -8.305 -2.532 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.677 -8.023 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.185 -5.980 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.937 -5.932 -2.824 1.00 0.00 H new ATOM 1583 N PRO A 108 15.355 -9.483 -6.729 1.00 0.00 N ATOM 1584 CA PRO A 108 14.284 -10.210 -7.417 1.00 0.00 C ATOM 1585 C PRO A 108 13.655 -11.285 -6.537 1.00 0.00 C ATOM 1586 O PRO A 108 14.301 -11.820 -5.636 1.00 0.00 O ATOM 1587 CB PRO A 108 14.999 -10.847 -8.611 1.00 0.00 C ATOM 1588 CG PRO A 108 16.420 -10.971 -8.181 1.00 0.00 C ATOM 1589 CD PRO A 108 16.684 -9.795 -7.282 1.00 0.00 C ATOM 0 HA PRO A 108 13.460 -9.554 -7.696 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.573 -11.820 -8.854 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.908 -10.227 -9.503 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.588 -11.910 -7.654 1.00 0.00 H new ATOM 0 HG3 PRO A 108 17.090 -10.963 -9.041 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.398 -10.042 -6.496 1.00 0.00 H new ATOM 0 HD3 PRO A 108 17.097 -8.951 -7.835 1.00 0.00 H new ATOM 1597 N HIS A 109 12.391 -11.597 -6.805 1.00 0.00 N ATOM 1598 CA HIS A 109 11.674 -12.609 -6.037 1.00 0.00 C ATOM 1599 C HIS A 109 11.768 -12.324 -4.541 1.00 0.00 C ATOM 1600 O HIS A 109 11.745 -13.242 -3.722 1.00 0.00 O ATOM 1601 CB HIS A 109 12.235 -13.999 -6.339 1.00 0.00 C ATOM 1602 CG HIS A 109 12.276 -14.324 -7.801 1.00 0.00 C ATOM 1603 ND1 HIS A 109 13.279 -14.802 -8.574 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 11.193 -14.161 -8.639 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.789 -14.920 -9.851 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.528 -14.527 -9.863 1.00 0.00 N flip ATOM 0 H HIS A 109 11.842 -11.164 -7.548 1.00 0.00 H new ATOM 0 HA HIS A 109 10.625 -12.576 -6.330 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.243 -14.071 -5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.629 -14.746 -5.826 1.00 0.00 H new ATOM 0 HD1 HIS A 109 14.224 -15.032 -8.265 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.223 -13.792 -8.341 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.344 -15.276 -10.706 1.00 0.00 H new ATOM 1615 N ALA A 110 11.875 -11.046 -4.193 1.00 0.00 N ATOM 1616 CA ALA A 110 11.971 -10.641 -2.796 1.00 0.00 C ATOM 1617 C ALA A 110 10.726 -9.876 -2.360 1.00 0.00 C ATOM 1618 O ALA A 110 10.492 -8.750 -2.798 1.00 0.00 O ATOM 1619 CB ALA A 110 13.217 -9.795 -2.576 1.00 0.00 C ATOM 0 H ALA A 110 11.897 -10.274 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 110 12.045 -11.542 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.276 -9.500 -1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.102 -10.375 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.167 -8.904 -3.202 1.00 0.00 H new ATOM 1625 N ALA A 111 9.930 -10.495 -1.494 1.00 0.00 N ATOM 1626 CA ALA A 111 8.709 -9.872 -0.998 1.00 0.00 C ATOM 1627 C ALA A 111 9.021 -8.594 -0.226 1.00 0.00 C ATOM 1628 O ALA A 111 10.162 -8.360 0.174 1.00 0.00 O ATOM 1629 CB ALA A 111 7.938 -10.846 -0.121 1.00 0.00 C ATOM 0 H ALA A 111 10.109 -11.428 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 111 8.091 -9.606 -1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.029 -10.367 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.675 -11.730 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.557 -11.140 0.727 1.00 0.00 H new ATOM 1635 N LEU A 112 8.000 -7.769 -0.020 1.00 0.00 N ATOM 1636 CA LEU A 112 8.164 -6.514 0.705 1.00 0.00 C ATOM 1637 C LEU A 112 6.873 -6.121 1.415 1.00 0.00 C ATOM 1638 O LEU A 112 5.794 -6.142 0.820 1.00 0.00 O ATOM 1639 CB LEU A 112 8.591 -5.401 -0.254 1.00 0.00 C ATOM 1640 CG LEU A 112 9.887 -5.643 -1.029 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.878 -4.870 -2.338 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.093 -5.254 -0.186 1.00 0.00 C ATOM 0 H LEU A 112 7.050 -7.947 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 112 8.940 -6.656 1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.787 -5.239 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.699 -4.479 0.317 1.00 0.00 H new ATOM 0 HG LEU A 112 9.957 -6.706 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.808 -5.054 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.035 -5.196 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.784 -3.804 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.006 -5.433 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.029 -4.198 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.109 -5.853 0.725 1.00 0.00 H new ATOM 1654 N CYS A 113 6.989 -5.762 2.688 1.00 0.00 N ATOM 1655 CA CYS A 113 5.831 -5.363 3.479 1.00 0.00 C ATOM 1656 C CYS A 113 5.501 -3.891 3.257 1.00 0.00 C ATOM 1657 O CYS A 113 6.369 -3.024 3.377 1.00 0.00 O ATOM 1658 CB CYS A 113 6.088 -5.622 4.965 1.00 0.00 C ATOM 1659 SG CYS A 113 5.590 -7.267 5.524 1.00 0.00 S ATOM 0 H CYS A 113 7.874 -5.739 3.195 1.00 0.00 H new ATOM 0 HA CYS A 113 4.979 -5.960 3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 113 7.150 -5.487 5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 113 5.554 -4.874 5.551 1.00 0.00 H new ATOM 0 HG CYS A 113 5.849 -7.391 6.792 1.00 0.00 H new ATOM 1665 N LEU A 114 4.244 -3.614 2.930 1.00 0.00 N ATOM 1666 CA LEU A 114 3.799 -2.246 2.688 1.00 0.00 C ATOM 1667 C LEU A 114 2.540 -1.933 3.490 1.00 0.00 C ATOM 1668 O LEU A 114 1.543 -2.649 3.401 1.00 0.00 O ATOM 1669 CB LEU A 114 3.536 -2.030 1.197 1.00 0.00 C ATOM 1670 CG LEU A 114 4.570 -2.624 0.240 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.120 -2.454 -1.203 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.930 -1.977 0.456 1.00 0.00 C ATOM 0 H LEU A 114 3.514 -4.319 2.826 1.00 0.00 H new ATOM 0 HA LEU A 114 4.590 -1.570 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.561 -2.454 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.472 -0.958 1.011 1.00 0.00 H new ATOM 0 HG LEU A 114 4.660 -3.690 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.868 -2.882 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.168 -2.964 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.001 -1.393 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.653 -2.412 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.856 -0.905 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.257 -2.150 1.481 1.00 0.00 H new ATOM 1684 N GLU A 115 2.593 -0.858 4.270 1.00 0.00 N ATOM 1685 CA GLU A 115 1.455 -0.450 5.086 1.00 0.00 C ATOM 1686 C GLU A 115 0.717 0.721 4.444 1.00 0.00 C ATOM 1687 O GLU A 115 1.203 1.852 4.447 1.00 0.00 O ATOM 1688 CB GLU A 115 1.919 -0.066 6.492 1.00 0.00 C ATOM 1689 CG GLU A 115 0.793 -0.010 7.511 1.00 0.00 C ATOM 1690 CD GLU A 115 1.198 0.694 8.791 1.00 0.00 C ATOM 1691 OE1 GLU A 115 1.124 1.940 8.833 1.00 0.00 O ATOM 1692 OE2 GLU A 115 1.589 -0.002 9.752 1.00 0.00 O ATOM 0 H GLU A 115 3.411 -0.254 4.354 1.00 0.00 H new ATOM 0 HA GLU A 115 0.769 -1.294 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.666 -0.785 6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.409 0.907 6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.063 0.504 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.470 -1.024 7.745 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.460 0.442 3.893 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.266 1.471 3.247 1.00 0.00 C ATOM 1701 C VAL A 116 -2.194 2.150 4.248 1.00 0.00 C ATOM 1702 O VAL A 116 -2.940 1.487 4.970 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.108 0.886 2.098 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.603 1.994 1.181 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.302 -0.143 1.318 1.00 0.00 C ATOM 0 H VAL A 116 -0.877 -0.489 3.881 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.573 2.207 2.840 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.977 0.386 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.196 1.562 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.218 2.690 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.750 2.525 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.912 -0.546 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.414 0.331 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -1.002 -0.952 1.985 1.00 0.00 H new ATOM 1715 N THR A 117 -2.145 3.478 4.285 1.00 0.00 N ATOM 1716 CA THR A 117 -2.981 4.248 5.198 1.00 0.00 C ATOM 1717 C THR A 117 -3.724 5.357 4.460 1.00 0.00 C ATOM 1718 O THR A 117 -3.171 6.429 4.212 1.00 0.00 O ATOM 1719 CB THR A 117 -2.148 4.871 6.333 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.466 3.844 7.061 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.033 5.668 7.279 1.00 0.00 C ATOM 0 H THR A 117 -1.535 4.043 3.693 1.00 0.00 H new ATOM 0 HA THR A 117 -3.703 3.553 5.627 1.00 0.00 H new ATOM 0 HB THR A 117 -1.417 5.547 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.937 4.249 7.780 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.422 6.099 8.073 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.528 6.467 6.728 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.784 5.010 7.716 1.00 0.00 H new ATOM 1729 N LEU A 118 -4.978 5.092 4.112 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.797 6.069 3.403 1.00 0.00 C ATOM 1731 C LEU A 118 -6.127 7.257 4.300 1.00 0.00 C ATOM 1732 O LEU A 118 -6.831 7.118 5.300 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.089 5.416 2.907 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.686 5.999 1.626 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.018 7.472 1.814 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.730 5.811 0.457 1.00 0.00 C ATOM 0 H LEU A 118 -5.450 4.209 4.309 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.227 6.431 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.897 4.355 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.836 5.488 3.698 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.610 5.465 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.442 7.870 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.741 7.582 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.110 8.021 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.172 6.232 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.789 6.318 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.543 4.748 0.307 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.614 8.428 3.935 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.856 9.643 4.704 1.00 0.00 C ATOM 1750 C LYS A 119 -7.006 10.446 4.104 1.00 0.00 C ATOM 1751 O LYS A 119 -8.033 10.657 4.750 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.590 10.501 4.751 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.307 9.690 4.803 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.294 8.743 5.991 1.00 0.00 C ATOM 1755 CE LYS A 119 -2.767 9.428 7.244 1.00 0.00 C ATOM 1756 NZ LYS A 119 -1.358 9.879 7.078 1.00 0.00 N ATOM 0 H LYS A 119 -5.028 8.561 3.111 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.129 9.354 5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.566 11.147 3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.634 11.152 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.198 9.120 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.452 10.363 4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.303 8.373 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.674 7.877 5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.397 10.285 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.832 8.741 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.891 9.909 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.852 9.215 6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.345 10.828 6.653 1.00 0.00 H new ATOM 1770 N THR A 120 -6.827 10.892 2.864 1.00 0.00 N ATOM 1771 CA THR A 120 -7.849 11.672 2.178 1.00 0.00 C ATOM 1772 C THR A 120 -7.798 11.441 0.672 1.00 0.00 C ATOM 1773 O THR A 120 -6.720 11.335 0.087 1.00 0.00 O ATOM 1774 CB THR A 120 -7.692 13.178 2.461 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.307 13.542 2.419 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.275 13.537 3.819 1.00 0.00 C ATOM 0 H THR A 120 -5.984 10.726 2.315 1.00 0.00 H new ATOM 0 HA THR A 120 -8.813 11.337 2.562 1.00 0.00 H new ATOM 0 HB THR A 120 -8.236 13.729 1.693 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.215 14.501 2.598 1.00 0.00 H new ATOM 0 HG21 THR A 120 -8.152 14.605 3.997 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.335 13.285 3.838 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.756 12.978 4.597 1.00 0.00 H new ATOM 1784 N ALA A 121 -8.969 11.365 0.049 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.057 11.150 -1.390 1.00 0.00 C ATOM 1786 C ALA A 121 -9.866 12.254 -2.062 1.00 0.00 C ATOM 1787 O ALA A 121 -11.031 12.473 -1.729 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.671 9.789 -1.683 1.00 0.00 C ATOM 0 H ALA A 121 -9.871 11.449 0.519 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.047 11.176 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.731 9.641 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.051 9.008 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.672 9.741 -1.254 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.242 12.947 -3.009 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.905 14.028 -3.728 1.00 0.00 C ATOM 1796 C VAL A 122 -9.519 14.025 -5.203 1.00 0.00 C ATOM 1797 O VAL A 122 -8.685 13.229 -5.635 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.558 15.401 -3.121 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.924 15.440 -1.645 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -8.083 15.715 -3.321 1.00 0.00 C ATOM 0 H VAL A 122 -8.278 12.779 -3.296 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.978 13.858 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 122 -10.141 16.164 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.672 16.417 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.993 15.263 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.369 14.668 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.856 16.688 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.479 14.950 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.856 15.732 -4.387 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.130 14.920 -5.970 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.850 15.022 -7.398 1.00 0.00 C ATOM 1812 C ASP A 123 -8.778 16.074 -7.667 1.00 0.00 C ATOM 1813 O ASP A 123 -8.010 15.961 -8.622 1.00 0.00 O ATOM 1814 CB ASP A 123 -11.126 15.367 -8.167 1.00 0.00 C ATOM 1815 CG ASP A 123 -11.089 14.876 -9.600 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -10.375 13.888 -9.870 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.772 15.481 -10.453 1.00 0.00 O ATOM 0 H ASP A 123 -10.823 15.586 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.480 14.056 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.984 14.928 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.270 16.447 -8.160 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.735 17.097 -6.820 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.760 18.171 -6.968 1.00 0.00 C ATOM 1824 C ARG A 124 -6.426 17.785 -6.336 1.00 0.00 C ATOM 1825 O ARG A 124 -6.367 17.047 -5.353 1.00 0.00 O ATOM 1826 CB ARG A 124 -8.285 19.458 -6.330 1.00 0.00 C ATOM 1827 CG ARG A 124 -9.443 20.085 -7.088 1.00 0.00 C ATOM 1828 CD ARG A 124 -10.780 19.524 -6.628 1.00 0.00 C ATOM 1829 NE ARG A 124 -11.168 20.041 -5.318 1.00 0.00 N ATOM 1830 CZ ARG A 124 -12.215 19.594 -4.633 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -12.974 18.627 -5.131 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -12.505 20.115 -3.447 1.00 0.00 N ATOM 0 H ARG A 124 -9.364 17.205 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.603 18.340 -8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.603 19.244 -5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.471 20.180 -6.265 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -9.431 21.165 -6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.320 19.905 -8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -11.549 19.774 -7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.722 18.436 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.605 20.785 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -12.755 18.224 -6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -13.777 18.286 -4.603 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.924 20.859 -3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -13.309 19.771 -2.922 1.00 0.00 H new