USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 MET CE :methyl -163:sc= -0.0203 (180deg=-0.101) USER MOD Set 1.2: A 113 CYS SG : rot -43:sc= -1.88 USER MOD Set 2.1: A 85 THR OG1 : rot 180:sc= -0.155 USER MOD Set 2.2: A 117 THR OG1 : rot 180:sc= -1.93! USER MOD Set 3.1: A 50 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.5) USER MOD Set 3.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 55 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.35) USER MOD Set 5.1: A 16 ASN : amide:sc= -2.92 X(o=-3.2,f=-3.5!) USER MOD Set 5.2: A 94 TYR OH : rot 180:sc= -0.243 USER MOD Single : A 21 LYS NZ :NH3+ -140:sc= -2.63! (180deg=-5.06!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.954 USER MOD Single : A 32 SER OG : rot 16:sc= 0.878 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -3.31! C(o=-3.3!,f=-9.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.801 F(o=-2.4,f=-0.8) USER MOD Single : A 45 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.257 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 -50:sc= 0.11 USER MOD Single : A 80 MET CE :methyl 147:sc= -1.19 (180deg=-4.08) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 100:sc= -0.276 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -172:sc= -0.519 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.3!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.175 F(o=-0.87,f=-0.18) USER MOD Single : A 119 LYS NZ :NH3+ 137:sc= -1.92! (180deg=-3.18!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.693 -11.500 3.568 1.00 0.00 N ATOM 121 CA LEU A 11 -7.667 -11.605 2.487 1.00 0.00 C ATOM 122 C LEU A 11 -6.971 -11.703 1.133 1.00 0.00 C ATOM 123 O LEU A 11 -6.067 -10.923 0.831 1.00 0.00 O ATOM 124 CB LEU A 11 -8.609 -10.400 2.503 1.00 0.00 C ATOM 125 CG LEU A 11 -9.367 -10.123 1.205 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.695 -9.441 1.497 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.524 -9.274 0.265 1.00 0.00 C ATOM 0 HA LEU A 11 -8.248 -12.514 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.337 -10.544 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.028 -9.513 2.757 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.571 -11.076 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.220 -9.252 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.304 -10.086 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.514 -8.496 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.080 -9.087 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.287 -8.325 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.600 -9.801 0.029 1.00 0.00 H new ATOM 139 N ASP A 12 -7.399 -12.664 0.322 1.00 0.00 N ATOM 140 CA ASP A 12 -6.819 -12.861 -1.001 1.00 0.00 C ATOM 141 C ASP A 12 -7.413 -11.880 -2.007 1.00 0.00 C ATOM 142 O ASP A 12 -8.544 -12.052 -2.463 1.00 0.00 O ATOM 143 CB ASP A 12 -7.050 -14.297 -1.474 1.00 0.00 C ATOM 144 CG ASP A 12 -6.153 -15.292 -0.763 1.00 0.00 C ATOM 145 OD1 ASP A 12 -5.025 -14.911 -0.388 1.00 0.00 O ATOM 146 OD2 ASP A 12 -6.580 -16.451 -0.582 1.00 0.00 O ATOM 0 H ASP A 12 -8.145 -13.318 0.557 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.747 -12.677 -0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.092 -14.568 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.873 -14.356 -2.548 1.00 0.00 H new ATOM 151 N ILE A 13 -6.645 -10.851 -2.347 1.00 0.00 N ATOM 152 CA ILE A 13 -7.095 -9.843 -3.298 1.00 0.00 C ATOM 153 C ILE A 13 -7.136 -10.404 -4.716 1.00 0.00 C ATOM 154 O ILE A 13 -8.032 -10.082 -5.497 1.00 0.00 O ATOM 155 CB ILE A 13 -6.185 -8.601 -3.276 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.386 -7.818 -1.977 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.466 -7.717 -4.482 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.227 -6.908 -1.634 1.00 0.00 C ATOM 0 H ILE A 13 -5.707 -10.693 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.101 -9.552 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.147 -8.929 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.294 -7.221 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.540 -8.521 -1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.815 -6.843 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.278 -8.279 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.507 -7.395 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.439 -6.385 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.320 -7.502 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.086 -6.181 -2.434 1.00 0.00 H new ATOM 170 N LEU A 14 -6.162 -11.246 -5.041 1.00 0.00 N ATOM 171 CA LEU A 14 -6.086 -11.854 -6.365 1.00 0.00 C ATOM 172 C LEU A 14 -6.575 -13.299 -6.328 1.00 0.00 C ATOM 173 O LEU A 14 -7.111 -13.809 -7.311 1.00 0.00 O ATOM 174 CB LEU A 14 -4.651 -11.802 -6.891 1.00 0.00 C ATOM 175 CG LEU A 14 -4.039 -10.408 -7.034 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.576 -10.506 -7.438 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.820 -9.584 -8.047 1.00 0.00 C ATOM 0 H LEU A 14 -5.414 -11.524 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.732 -11.288 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.019 -12.388 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.624 -12.290 -7.865 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.095 -9.907 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.157 -9.504 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.024 -11.058 -6.677 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.496 -11.026 -8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.370 -8.595 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.796 -10.082 -9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.854 -9.484 -7.715 1.00 0.00 H new ATOM 189 N GLY A 15 -6.386 -13.953 -5.186 1.00 0.00 N ATOM 190 CA GLY A 15 -6.814 -15.333 -5.042 1.00 0.00 C ATOM 191 C GLY A 15 -5.648 -16.299 -4.988 1.00 0.00 C ATOM 192 O GLY A 15 -5.710 -17.320 -4.304 1.00 0.00 O ATOM 0 H GLY A 15 -5.944 -13.552 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.407 -15.433 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.463 -15.598 -5.877 1.00 0.00 H new ATOM 196 N ASN A 16 -4.582 -15.978 -5.714 1.00 0.00 N ATOM 197 CA ASN A 16 -3.397 -16.828 -5.748 1.00 0.00 C ATOM 198 C ASN A 16 -2.733 -16.890 -4.375 1.00 0.00 C ATOM 199 O ASN A 16 -2.089 -17.880 -4.030 1.00 0.00 O ATOM 200 CB ASN A 16 -2.400 -16.308 -6.785 1.00 0.00 C ATOM 201 CG ASN A 16 -2.563 -14.823 -7.050 1.00 0.00 C ATOM 202 OD1 ASN A 16 -3.309 -14.418 -7.942 1.00 0.00 O ATOM 203 ND2 ASN A 16 -1.863 -14.004 -6.274 1.00 0.00 N ATOM 0 H ASN A 16 -4.514 -15.136 -6.286 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.710 -17.834 -6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.385 -16.503 -6.439 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.530 -16.857 -7.718 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.931 -12.995 -6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.257 -14.384 -5.547 1.00 0.00 H new ATOM 210 N GLY A 17 -2.895 -15.825 -3.596 1.00 0.00 N ATOM 211 CA GLY A 17 -2.306 -15.779 -2.271 1.00 0.00 C ATOM 212 C GLY A 17 -1.197 -14.751 -2.164 1.00 0.00 C ATOM 213 O GLY A 17 -1.004 -14.142 -1.111 1.00 0.00 O ATOM 0 H GLY A 17 -3.424 -14.993 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.081 -15.550 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.911 -16.763 -2.018 1.00 0.00 H new ATOM 217 N LEU A 18 -0.465 -14.558 -3.256 1.00 0.00 N ATOM 218 CA LEU A 18 0.632 -13.597 -3.281 1.00 0.00 C ATOM 219 C LEU A 18 0.208 -12.270 -2.660 1.00 0.00 C ATOM 220 O LEU A 18 0.764 -11.839 -1.649 1.00 0.00 O ATOM 221 CB LEU A 18 1.107 -13.373 -4.717 1.00 0.00 C ATOM 222 CG LEU A 18 2.029 -14.448 -5.295 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.183 -14.728 -4.344 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.249 -15.722 -5.580 1.00 0.00 C ATOM 0 H LEU A 18 -0.611 -15.054 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 18 1.454 -14.006 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.230 -13.291 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.626 -12.415 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 18 2.441 -14.080 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.829 -15.495 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.758 -13.815 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.791 -15.075 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.921 -16.476 -5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.809 -16.094 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.458 -15.511 -6.299 1.00 0.00 H new ATOM 236 N LEU A 19 -0.780 -11.626 -3.271 1.00 0.00 N ATOM 237 CA LEU A 19 -1.281 -10.348 -2.778 1.00 0.00 C ATOM 238 C LEU A 19 -2.257 -10.554 -1.623 1.00 0.00 C ATOM 239 O LEU A 19 -3.324 -11.143 -1.797 1.00 0.00 O ATOM 240 CB LEU A 19 -1.966 -9.576 -3.907 1.00 0.00 C ATOM 241 CG LEU A 19 -2.508 -8.193 -3.542 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.400 -7.317 -2.979 1.00 0.00 C ATOM 243 CD2 LEU A 19 -3.149 -7.535 -4.755 1.00 0.00 C ATOM 0 H LEU A 19 -1.250 -11.968 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.432 -9.770 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.255 -9.461 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.791 -10.180 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.272 -8.314 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.804 -6.337 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.988 -7.782 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.613 -7.203 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.529 -6.552 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.406 -7.427 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.972 -8.154 -5.113 1.00 0.00 H new ATOM 255 N ARG A 20 -1.884 -10.065 -0.445 1.00 0.00 N ATOM 256 CA ARG A 20 -2.727 -10.194 0.737 1.00 0.00 C ATOM 257 C ARG A 20 -2.998 -8.830 1.364 1.00 0.00 C ATOM 258 O ARG A 20 -2.236 -7.883 1.170 1.00 0.00 O ATOM 259 CB ARG A 20 -2.064 -11.116 1.763 1.00 0.00 C ATOM 260 CG ARG A 20 -2.045 -12.578 1.346 1.00 0.00 C ATOM 261 CD ARG A 20 -0.844 -13.307 1.926 1.00 0.00 C ATOM 262 NE ARG A 20 0.393 -12.967 1.227 1.00 0.00 N ATOM 263 CZ ARG A 20 1.554 -13.570 1.453 1.00 0.00 C ATOM 264 NH1 ARG A 20 1.638 -14.539 2.354 1.00 0.00 N ATOM 265 NH2 ARG A 20 2.636 -13.205 0.776 1.00 0.00 N ATOM 0 H ARG A 20 -1.004 -9.576 -0.284 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.678 -10.628 0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.040 -10.782 1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.589 -11.025 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.962 -13.064 1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.023 -12.647 0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.744 -13.057 2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.010 -14.383 1.867 1.00 0.00 H new ATOM 0 HE ARG A 20 0.363 -12.226 0.527 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.809 -14.823 2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.532 -15.000 2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.576 -12.461 0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.527 -13.669 0.951 1.00 0.00 H new ATOM 279 N LYS A 21 -4.089 -8.737 2.117 1.00 0.00 N ATOM 280 CA LYS A 21 -4.462 -7.490 2.774 1.00 0.00 C ATOM 281 C LYS A 21 -4.885 -7.740 4.217 1.00 0.00 C ATOM 282 O LYS A 21 -5.700 -8.622 4.492 1.00 0.00 O ATOM 283 CB LYS A 21 -5.598 -6.807 2.009 1.00 0.00 C ATOM 284 CG LYS A 21 -5.841 -5.369 2.436 1.00 0.00 C ATOM 285 CD LYS A 21 -6.967 -4.734 1.640 1.00 0.00 C ATOM 286 CE LYS A 21 -8.329 -5.107 2.205 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.841 -6.379 1.625 1.00 0.00 N ATOM 0 H LYS A 21 -4.731 -9.511 2.287 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.590 -6.836 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.371 -6.827 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.515 -7.379 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.084 -5.340 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.928 -4.789 2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.853 -3.650 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.904 -5.053 0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.258 -5.204 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.038 -4.304 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.862 -6.293 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.348 -6.576 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.672 -7.158 2.293 1.00 0.00 H new ATOM 301 N LYS A 22 -4.328 -6.959 5.137 1.00 0.00 N ATOM 302 CA LYS A 22 -4.650 -7.094 6.553 1.00 0.00 C ATOM 303 C LYS A 22 -5.049 -5.749 7.150 1.00 0.00 C ATOM 304 O LYS A 22 -4.209 -4.870 7.345 1.00 0.00 O ATOM 305 CB LYS A 22 -3.455 -7.669 7.316 1.00 0.00 C ATOM 306 CG LYS A 22 -3.687 -7.784 8.812 1.00 0.00 C ATOM 307 CD LYS A 22 -2.476 -8.366 9.521 1.00 0.00 C ATOM 308 CE LYS A 22 -1.361 -7.340 9.654 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.029 -7.987 9.819 1.00 0.00 N ATOM 0 H LYS A 22 -3.651 -6.226 4.927 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.494 -7.777 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.220 -8.656 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.584 -7.038 7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.912 -6.800 9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.557 -8.414 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.767 -8.719 10.510 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.111 -9.232 8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.348 -6.701 8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.560 -6.696 10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.704 -7.255 9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.033 -8.577 10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.173 -8.582 8.990 1.00 0.00 H new ATOM 323 N THR A 23 -6.337 -5.594 7.441 1.00 0.00 N ATOM 324 CA THR A 23 -6.848 -4.356 8.017 1.00 0.00 C ATOM 325 C THR A 23 -6.304 -4.140 9.424 1.00 0.00 C ATOM 326 O THR A 23 -6.740 -4.788 10.376 1.00 0.00 O ATOM 327 CB THR A 23 -8.387 -4.353 8.068 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.921 -4.557 6.755 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.907 -3.041 8.634 1.00 0.00 C ATOM 0 H THR A 23 -7.046 -6.311 7.287 1.00 0.00 H new ATOM 0 HA THR A 23 -6.512 -3.545 7.371 1.00 0.00 H new ATOM 0 HB THR A 23 -8.708 -5.165 8.721 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.900 -4.556 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.996 -3.062 8.660 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.522 -2.903 9.644 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.575 -2.216 8.004 1.00 0.00 H new ATOM 337 N LEU A 24 -5.350 -3.223 9.550 1.00 0.00 N ATOM 338 CA LEU A 24 -4.746 -2.920 10.843 1.00 0.00 C ATOM 339 C LEU A 24 -5.667 -2.039 11.680 1.00 0.00 C ATOM 340 O LEU A 24 -5.758 -2.197 12.898 1.00 0.00 O ATOM 341 CB LEU A 24 -3.397 -2.227 10.648 1.00 0.00 C ATOM 342 CG LEU A 24 -2.388 -2.958 9.761 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.251 -2.029 9.367 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.849 -4.191 10.472 1.00 0.00 C ATOM 0 H LEU A 24 -4.979 -2.677 8.773 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.591 -3.860 11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.577 -1.240 10.222 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.945 -2.074 11.628 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.898 -3.279 8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.543 -2.567 8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.651 -1.177 8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.742 -1.676 10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.132 -4.699 9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.356 -3.891 11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.672 -4.867 10.703 1.00 0.00 H new ATOM 356 N VAL A 25 -6.351 -1.110 11.020 1.00 0.00 N ATOM 357 CA VAL A 25 -7.268 -0.205 11.702 1.00 0.00 C ATOM 358 C VAL A 25 -8.415 0.208 10.787 1.00 0.00 C ATOM 359 O VAL A 25 -8.255 1.024 9.879 1.00 0.00 O ATOM 360 CB VAL A 25 -6.542 1.059 12.200 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.524 2.010 12.869 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.416 0.686 13.152 1.00 0.00 C ATOM 0 H VAL A 25 -6.287 -0.964 10.012 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.668 -0.747 12.559 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.107 1.569 11.341 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.993 2.897 13.215 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.292 2.302 12.153 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.991 1.512 13.719 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.914 1.591 13.494 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.826 0.152 14.009 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.700 0.047 12.636 1.00 0.00 H new ATOM 372 N PRO A 26 -9.603 -0.367 11.030 1.00 0.00 N ATOM 373 CA PRO A 26 -10.801 -0.073 10.240 1.00 0.00 C ATOM 374 C PRO A 26 -11.325 1.339 10.483 1.00 0.00 C ATOM 375 O PRO A 26 -11.105 1.918 11.546 1.00 0.00 O ATOM 376 CB PRO A 26 -11.814 -1.110 10.731 1.00 0.00 C ATOM 377 CG PRO A 26 -11.366 -1.453 12.110 1.00 0.00 C ATOM 378 CD PRO A 26 -9.866 -1.347 12.097 1.00 0.00 C ATOM 0 HA PRO A 26 -10.604 -0.123 9.169 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.826 -0.705 10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.824 -1.990 10.087 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.799 -0.771 12.842 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.684 -2.459 12.385 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.479 -1.009 13.058 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.397 -2.308 11.885 1.00 0.00 H new ATOM 386 N GLY A 27 -12.019 1.887 9.490 1.00 0.00 N ATOM 387 CA GLY A 27 -12.563 3.226 9.617 1.00 0.00 C ATOM 388 C GLY A 27 -14.007 3.225 10.078 1.00 0.00 C ATOM 389 O GLY A 27 -14.619 2.173 10.267 1.00 0.00 O ATOM 0 H GLY A 27 -12.214 1.428 8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.959 3.794 10.325 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.492 3.736 8.656 1.00 0.00 H new ATOM 393 N PRO A 28 -14.573 4.426 10.268 1.00 0.00 N ATOM 394 CA PRO A 28 -15.961 4.585 10.713 1.00 0.00 C ATOM 395 C PRO A 28 -16.965 4.172 9.642 1.00 0.00 C ATOM 396 O PRO A 28 -16.623 3.996 8.472 1.00 0.00 O ATOM 397 CB PRO A 28 -16.071 6.085 10.999 1.00 0.00 C ATOM 398 CG PRO A 28 -15.030 6.712 10.138 1.00 0.00 C ATOM 399 CD PRO A 28 -13.903 5.720 10.061 1.00 0.00 C ATOM 0 HA PRO A 28 -16.188 3.955 11.573 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -17.065 6.462 10.757 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.896 6.301 12.053 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.425 6.932 9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.690 7.657 10.562 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.397 5.761 9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.149 5.909 10.825 1.00 0.00 H new ATOM 407 N PRO A 29 -18.233 4.013 10.048 1.00 0.00 N ATOM 408 CA PRO A 29 -19.312 3.620 9.137 1.00 0.00 C ATOM 409 C PRO A 29 -19.665 4.723 8.145 1.00 0.00 C ATOM 410 O PRO A 29 -20.427 4.505 7.205 1.00 0.00 O ATOM 411 CB PRO A 29 -20.490 3.351 10.078 1.00 0.00 C ATOM 412 CG PRO A 29 -20.208 4.179 11.284 1.00 0.00 C ATOM 413 CD PRO A 29 -18.711 4.206 11.427 1.00 0.00 C ATOM 0 HA PRO A 29 -19.034 2.764 8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.437 3.632 9.617 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.561 2.293 10.332 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.607 5.187 11.168 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.677 3.751 12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.364 5.152 11.844 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.356 3.416 12.089 1.00 0.00 H new ATOM 421 N GLY A 30 -19.104 5.909 8.362 1.00 0.00 N ATOM 422 CA GLY A 30 -19.371 7.029 7.478 1.00 0.00 C ATOM 423 C GLY A 30 -18.485 7.021 6.248 1.00 0.00 C ATOM 424 O GLY A 30 -18.977 7.012 5.120 1.00 0.00 O ATOM 0 H GLY A 30 -18.470 6.114 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.416 7.003 7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -19.223 7.961 8.023 1.00 0.00 H new ATOM 428 N SER A 31 -17.173 7.026 6.466 1.00 0.00 N ATOM 429 CA SER A 31 -16.216 7.025 5.366 1.00 0.00 C ATOM 430 C SER A 31 -16.452 5.834 4.442 1.00 0.00 C ATOM 431 O SER A 31 -17.160 4.892 4.794 1.00 0.00 O ATOM 432 CB SER A 31 -14.785 6.990 5.907 1.00 0.00 C ATOM 433 OG SER A 31 -14.700 7.638 7.164 1.00 0.00 O ATOM 0 H SER A 31 -16.749 7.031 7.394 1.00 0.00 H new ATOM 0 HA SER A 31 -16.358 7.941 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.455 5.956 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.113 7.474 5.198 1.00 0.00 H new ATOM 0 HG SER A 31 -13.776 7.601 7.489 1.00 0.00 H new ATOM 439 N SER A 32 -15.852 5.886 3.256 1.00 0.00 N ATOM 440 CA SER A 32 -15.999 4.814 2.279 1.00 0.00 C ATOM 441 C SER A 32 -14.857 4.841 1.267 1.00 0.00 C ATOM 442 O SER A 32 -14.142 5.836 1.149 1.00 0.00 O ATOM 443 CB SER A 32 -17.341 4.936 1.554 1.00 0.00 C ATOM 444 OG SER A 32 -18.404 4.473 2.368 1.00 0.00 O ATOM 0 H SER A 32 -15.260 6.658 2.950 1.00 0.00 H new ATOM 0 HA SER A 32 -15.967 3.864 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.516 5.976 1.279 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.311 4.362 0.628 1.00 0.00 H new ATOM 0 HG SER A 32 -18.099 4.406 3.297 1.00 0.00 H new ATOM 450 N ARG A 33 -14.693 3.741 0.539 1.00 0.00 N ATOM 451 CA ARG A 33 -13.638 3.638 -0.462 1.00 0.00 C ATOM 452 C ARG A 33 -13.766 4.746 -1.503 1.00 0.00 C ATOM 453 O ARG A 33 -14.863 5.107 -1.930 1.00 0.00 O ATOM 454 CB ARG A 33 -13.689 2.271 -1.147 1.00 0.00 C ATOM 455 CG ARG A 33 -13.799 1.106 -0.177 1.00 0.00 C ATOM 456 CD ARG A 33 -13.250 -0.176 -0.782 1.00 0.00 C ATOM 457 NE ARG A 33 -13.920 -1.361 -0.252 1.00 0.00 N ATOM 458 CZ ARG A 33 -13.751 -1.808 0.987 1.00 0.00 C ATOM 459 NH1 ARG A 33 -12.939 -1.172 1.820 1.00 0.00 N ATOM 460 NH2 ARG A 33 -14.395 -2.894 1.396 1.00 0.00 N ATOM 0 H ARG A 33 -15.277 2.909 0.624 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.679 3.748 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.540 2.247 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.792 2.144 -1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.255 1.340 0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.843 0.960 0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.369 -0.146 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.181 -0.243 -0.581 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.552 -1.873 -0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.442 -0.337 1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.811 -1.518 2.771 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.021 -3.386 0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.264 -3.236 2.348 1.00 0.00 H new ATOM 474 N PRO A 34 -12.618 5.300 -1.921 1.00 0.00 N ATOM 475 CA PRO A 34 -12.575 6.376 -2.916 1.00 0.00 C ATOM 476 C PRO A 34 -12.963 5.891 -4.309 1.00 0.00 C ATOM 477 O PRO A 34 -13.441 4.770 -4.477 1.00 0.00 O ATOM 478 CB PRO A 34 -11.111 6.822 -2.893 1.00 0.00 C ATOM 479 CG PRO A 34 -10.359 5.628 -2.414 1.00 0.00 C ATOM 480 CD PRO A 34 -11.275 4.920 -1.454 1.00 0.00 C ATOM 0 HA PRO A 34 -13.281 7.174 -2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.775 7.130 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.967 7.674 -2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.088 4.978 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.431 5.922 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.130 3.840 -1.483 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.102 5.237 -0.426 1.00 0.00 H new ATOM 488 N VAL A 35 -12.753 6.744 -5.307 1.00 0.00 N ATOM 489 CA VAL A 35 -13.079 6.403 -6.686 1.00 0.00 C ATOM 490 C VAL A 35 -11.828 6.381 -7.558 1.00 0.00 C ATOM 491 O VAL A 35 -10.876 7.124 -7.316 1.00 0.00 O ATOM 492 CB VAL A 35 -14.092 7.396 -7.286 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.754 8.819 -6.871 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.129 7.268 -8.802 1.00 0.00 C ATOM 0 H VAL A 35 -12.358 7.677 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.524 5.408 -6.669 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.083 7.156 -6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.480 9.507 -7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.783 8.898 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.756 9.074 -7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.850 7.977 -9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.141 7.481 -9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.423 6.254 -9.074 1.00 0.00 H new ATOM 504 N LYS A 36 -11.835 5.525 -8.574 1.00 0.00 N ATOM 505 CA LYS A 36 -10.703 5.407 -9.484 1.00 0.00 C ATOM 506 C LYS A 36 -10.639 6.600 -10.432 1.00 0.00 C ATOM 507 O LYS A 36 -11.608 6.906 -11.126 1.00 0.00 O ATOM 508 CB LYS A 36 -10.801 4.108 -10.288 1.00 0.00 C ATOM 509 CG LYS A 36 -9.847 4.050 -11.468 1.00 0.00 C ATOM 510 CD LYS A 36 -10.223 2.939 -12.434 1.00 0.00 C ATOM 511 CE LYS A 36 -11.292 3.393 -13.416 1.00 0.00 C ATOM 512 NZ LYS A 36 -12.114 2.253 -13.907 1.00 0.00 N ATOM 0 H LYS A 36 -12.614 4.902 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.791 5.390 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.599 3.265 -9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.822 3.991 -10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.855 5.006 -11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.830 3.892 -11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.338 2.616 -12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.584 2.076 -11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.939 4.127 -12.935 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.819 3.891 -14.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.831 2.604 -14.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.501 1.565 -14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.585 1.793 -13.102 1.00 0.00 H new ATOM 526 N GLY A 37 -9.492 7.271 -10.457 1.00 0.00 N ATOM 527 CA GLY A 37 -9.324 8.422 -11.324 1.00 0.00 C ATOM 528 C GLY A 37 -9.154 9.713 -10.548 1.00 0.00 C ATOM 529 O GLY A 37 -8.953 10.776 -11.136 1.00 0.00 O ATOM 0 H GLY A 37 -8.676 7.038 -9.892 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.454 8.268 -11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.190 8.508 -11.981 1.00 0.00 H new ATOM 533 N GLN A 38 -9.239 9.622 -9.225 1.00 0.00 N ATOM 534 CA GLN A 38 -9.096 10.793 -8.368 1.00 0.00 C ATOM 535 C GLN A 38 -7.748 10.784 -7.654 1.00 0.00 C ATOM 536 O GLN A 38 -7.020 9.792 -7.692 1.00 0.00 O ATOM 537 CB GLN A 38 -10.229 10.841 -7.341 1.00 0.00 C ATOM 538 CG GLN A 38 -11.582 11.180 -7.945 1.00 0.00 C ATOM 539 CD GLN A 38 -12.495 11.894 -6.968 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.632 11.476 -6.744 1.00 0.00 O ATOM 541 NE2 GLN A 38 -12.002 12.977 -6.379 1.00 0.00 N ATOM 0 H GLN A 38 -9.406 8.750 -8.723 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.147 11.681 -8.998 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.296 9.875 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.985 11.580 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.436 11.807 -8.825 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.064 10.263 -8.284 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.055 13.288 -6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.571 13.498 -5.711 1.00 0.00 H new ATOM 550 N VAL A 39 -7.420 11.896 -7.004 1.00 0.00 N ATOM 551 CA VAL A 39 -6.160 12.017 -6.281 1.00 0.00 C ATOM 552 C VAL A 39 -6.255 11.375 -4.901 1.00 0.00 C ATOM 553 O VAL A 39 -6.990 11.847 -4.034 1.00 0.00 O ATOM 554 CB VAL A 39 -5.743 13.491 -6.122 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.520 13.606 -5.225 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.477 14.118 -7.482 1.00 0.00 C ATOM 0 H VAL A 39 -8.010 12.727 -6.963 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.405 11.496 -6.870 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.562 14.034 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.240 14.655 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.750 13.196 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.692 13.050 -5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.184 15.160 -7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.675 13.575 -7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.382 14.069 -8.088 1.00 0.00 H new ATOM 566 N VAL A 40 -5.504 10.296 -4.704 1.00 0.00 N ATOM 567 CA VAL A 40 -5.502 9.589 -3.428 1.00 0.00 C ATOM 568 C VAL A 40 -4.149 9.711 -2.736 1.00 0.00 C ATOM 569 O VAL A 40 -3.109 9.406 -3.321 1.00 0.00 O ATOM 570 CB VAL A 40 -5.840 8.098 -3.612 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.341 7.874 -3.510 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.306 7.591 -4.943 1.00 0.00 C ATOM 0 H VAL A 40 -4.889 9.892 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.268 10.053 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.358 7.533 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.561 6.815 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.691 8.197 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.848 8.449 -4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.554 6.536 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.757 8.159 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.223 7.714 -4.971 1.00 0.00 H new ATOM 582 N THR A 41 -4.169 10.158 -1.484 1.00 0.00 N ATOM 583 CA THR A 41 -2.945 10.321 -0.711 1.00 0.00 C ATOM 584 C THR A 41 -2.923 9.381 0.489 1.00 0.00 C ATOM 585 O THR A 41 -3.829 9.401 1.323 1.00 0.00 O ATOM 586 CB THR A 41 -2.781 11.770 -0.215 1.00 0.00 C ATOM 587 OG1 THR A 41 -2.994 12.684 -1.297 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.396 11.988 0.374 1.00 0.00 C ATOM 0 H THR A 41 -5.020 10.414 -0.984 1.00 0.00 H new ATOM 0 HA THR A 41 -2.117 10.077 -1.377 1.00 0.00 H new ATOM 0 HB THR A 41 -3.521 11.950 0.564 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.890 13.603 -0.974 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.305 13.019 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.248 11.311 1.215 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.642 11.791 -0.388 1.00 0.00 H new ATOM 596 N VAL A 42 -1.883 8.557 0.571 1.00 0.00 N ATOM 597 CA VAL A 42 -1.743 7.610 1.670 1.00 0.00 C ATOM 598 C VAL A 42 -0.287 7.489 2.109 1.00 0.00 C ATOM 599 O VAL A 42 0.617 7.997 1.445 1.00 0.00 O ATOM 600 CB VAL A 42 -2.267 6.215 1.280 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.530 6.335 0.440 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.196 5.432 0.538 1.00 0.00 C ATOM 0 H VAL A 42 -1.125 8.527 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.339 7.995 2.497 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.516 5.671 2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.886 5.340 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.299 6.854 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.311 6.897 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.584 4.449 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.914 5.970 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.322 5.315 1.178 1.00 0.00 H new ATOM 612 N HIS A 43 -0.068 6.812 3.232 1.00 0.00 N ATOM 613 CA HIS A 43 1.279 6.622 3.759 1.00 0.00 C ATOM 614 C HIS A 43 1.699 5.159 3.664 1.00 0.00 C ATOM 615 O HIS A 43 1.111 4.290 4.309 1.00 0.00 O ATOM 616 CB HIS A 43 1.350 7.092 5.213 1.00 0.00 C ATOM 617 CG HIS A 43 2.735 7.066 5.783 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.834 6.370 5.408 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 3.114 7.819 6.874 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.847 6.713 6.270 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.386 7.589 7.144 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.805 6.386 3.794 1.00 0.00 H new ATOM 0 HA HIS A 43 1.966 7.218 3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.958 8.107 5.278 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.703 6.461 5.822 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.471 8.492 7.422 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.856 6.329 6.238 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.922 8.016 7.900 1.00 0.00 H new ATOM 630 N LEU A 44 2.719 4.893 2.854 1.00 0.00 N ATOM 631 CA LEU A 44 3.217 3.534 2.673 1.00 0.00 C ATOM 632 C LEU A 44 4.715 3.462 2.953 1.00 0.00 C ATOM 633 O LEU A 44 5.410 4.477 2.924 1.00 0.00 O ATOM 634 CB LEU A 44 2.928 3.049 1.252 1.00 0.00 C ATOM 635 CG LEU A 44 4.070 3.199 0.246 1.00 0.00 C ATOM 636 CD1 LEU A 44 4.578 4.632 0.226 1.00 0.00 C ATOM 637 CD2 LEU A 44 5.200 2.234 0.574 1.00 0.00 C ATOM 0 H LEU A 44 3.217 5.600 2.313 1.00 0.00 H new ATOM 0 HA LEU A 44 2.702 2.887 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.648 1.997 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.063 3.593 0.873 1.00 0.00 H new ATOM 0 HG LEU A 44 3.689 2.957 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.390 4.720 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.766 5.302 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.942 4.903 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.004 2.355 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.580 2.445 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.827 1.210 0.536 1.00 0.00 H new ATOM 649 N GLN A 45 5.205 2.256 3.220 1.00 0.00 N ATOM 650 CA GLN A 45 6.621 2.052 3.503 1.00 0.00 C ATOM 651 C GLN A 45 7.079 0.678 3.024 1.00 0.00 C ATOM 652 O GLN A 45 6.587 -0.350 3.490 1.00 0.00 O ATOM 653 CB GLN A 45 6.890 2.200 5.001 1.00 0.00 C ATOM 654 CG GLN A 45 6.449 3.539 5.570 1.00 0.00 C ATOM 655 CD GLN A 45 7.086 3.841 6.912 1.00 0.00 C ATOM 656 OE1 GLN A 45 6.393 4.021 7.914 1.00 0.00 O ATOM 657 NE2 GLN A 45 8.412 3.899 6.939 1.00 0.00 N ATOM 0 H GLN A 45 4.643 1.405 3.246 1.00 0.00 H new ATOM 0 HA GLN A 45 7.187 2.812 2.964 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.375 1.401 5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.957 2.070 5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.703 4.331 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.364 3.544 5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.947 3.743 6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.896 4.099 7.814 1.00 0.00 H new ATOM 666 N THR A 46 8.025 0.667 2.091 1.00 0.00 N ATOM 667 CA THR A 46 8.549 -0.579 1.548 1.00 0.00 C ATOM 668 C THR A 46 9.670 -1.131 2.421 1.00 0.00 C ATOM 669 O THR A 46 10.693 -0.476 2.622 1.00 0.00 O ATOM 670 CB THR A 46 9.077 -0.390 0.113 1.00 0.00 C ATOM 671 OG1 THR A 46 8.184 0.445 -0.631 1.00 0.00 O ATOM 672 CG2 THR A 46 9.230 -1.731 -0.589 1.00 0.00 C ATOM 0 H THR A 46 8.444 1.508 1.695 1.00 0.00 H new ATOM 0 HA THR A 46 7.722 -1.288 1.532 1.00 0.00 H new ATOM 0 HB THR A 46 10.056 0.086 0.169 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.527 0.562 -1.541 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.604 -1.572 -1.600 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.934 -2.353 -0.036 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.262 -2.230 -0.635 1.00 0.00 H new ATOM 680 N SER A 47 9.472 -2.340 2.938 1.00 0.00 N ATOM 681 CA SER A 47 10.465 -2.978 3.793 1.00 0.00 C ATOM 682 C SER A 47 10.645 -4.445 3.414 1.00 0.00 C ATOM 683 O SER A 47 9.684 -5.129 3.059 1.00 0.00 O ATOM 684 CB SER A 47 10.053 -2.866 5.262 1.00 0.00 C ATOM 685 OG SER A 47 8.701 -3.250 5.443 1.00 0.00 O ATOM 0 H SER A 47 8.632 -2.897 2.779 1.00 0.00 H new ATOM 0 HA SER A 47 11.415 -2.464 3.650 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.698 -3.497 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.192 -1.841 5.605 1.00 0.00 H new ATOM 0 HG SER A 47 8.463 -3.171 6.390 1.00 0.00 H new ATOM 691 N LEU A 48 11.882 -4.922 3.493 1.00 0.00 N ATOM 692 CA LEU A 48 12.191 -6.309 3.159 1.00 0.00 C ATOM 693 C LEU A 48 11.573 -7.264 4.175 1.00 0.00 C ATOM 694 O LEU A 48 11.270 -6.874 5.302 1.00 0.00 O ATOM 695 CB LEU A 48 13.705 -6.516 3.102 1.00 0.00 C ATOM 696 CG LEU A 48 14.363 -6.286 1.741 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.039 -7.428 0.791 1.00 0.00 C ATOM 698 CD2 LEU A 48 13.918 -4.956 1.151 1.00 0.00 C ATOM 0 H LEU A 48 12.688 -4.369 3.785 1.00 0.00 H new ATOM 0 HA LEU A 48 11.765 -6.525 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.171 -5.847 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.925 -7.535 3.422 1.00 0.00 H new ATOM 0 HG LEU A 48 15.443 -6.254 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.516 -7.246 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.409 -8.365 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.959 -7.493 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.396 -4.809 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.835 -4.958 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.203 -4.146 1.823 1.00 0.00 H new ATOM 710 N GLU A 49 11.392 -8.516 3.769 1.00 0.00 N ATOM 711 CA GLU A 49 10.812 -9.527 4.645 1.00 0.00 C ATOM 712 C GLU A 49 11.660 -9.709 5.901 1.00 0.00 C ATOM 713 O GLU A 49 11.186 -10.225 6.912 1.00 0.00 O ATOM 714 CB GLU A 49 10.682 -10.861 3.906 1.00 0.00 C ATOM 715 CG GLU A 49 9.987 -11.941 4.718 1.00 0.00 C ATOM 716 CD GLU A 49 10.956 -12.761 5.548 1.00 0.00 C ATOM 717 OE1 GLU A 49 11.757 -13.513 4.953 1.00 0.00 O ATOM 718 OE2 GLU A 49 10.913 -12.653 6.791 1.00 0.00 O ATOM 0 H GLU A 49 11.639 -8.855 2.839 1.00 0.00 H new ATOM 0 HA GLU A 49 9.820 -9.187 4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.129 -10.702 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.676 -11.211 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.251 -11.479 5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.441 -12.602 4.045 1.00 0.00 H new ATOM 725 N ASN A 50 12.916 -9.283 5.827 1.00 0.00 N ATOM 726 CA ASN A 50 13.831 -9.399 6.956 1.00 0.00 C ATOM 727 C ASN A 50 13.708 -8.193 7.883 1.00 0.00 C ATOM 728 O ASN A 50 13.644 -8.338 9.103 1.00 0.00 O ATOM 729 CB ASN A 50 15.273 -9.531 6.461 1.00 0.00 C ATOM 730 CG ASN A 50 15.520 -8.745 5.188 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.342 -9.258 4.083 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.935 -7.492 5.338 1.00 0.00 N ATOM 0 H ASN A 50 13.324 -8.854 4.996 1.00 0.00 H new ATOM 0 HA ASN A 50 13.563 -10.295 7.517 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.954 -9.184 7.238 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.499 -10.583 6.285 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.119 -6.914 4.518 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.069 -7.108 6.273 1.00 0.00 H new ATOM 739 N GLY A 51 13.677 -7.002 7.293 1.00 0.00 N ATOM 740 CA GLY A 51 13.561 -5.788 8.080 1.00 0.00 C ATOM 741 C GLY A 51 14.474 -4.685 7.581 1.00 0.00 C ATOM 742 O GLY A 51 15.137 -4.012 8.371 1.00 0.00 O ATOM 0 H GLY A 51 13.730 -6.856 6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.528 -5.440 8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.798 -6.009 9.121 1.00 0.00 H new ATOM 746 N THR A 52 14.510 -4.499 6.265 1.00 0.00 N ATOM 747 CA THR A 52 15.350 -3.472 5.661 1.00 0.00 C ATOM 748 C THR A 52 14.520 -2.500 4.831 1.00 0.00 C ATOM 749 O THR A 52 14.189 -2.779 3.678 1.00 0.00 O ATOM 750 CB THR A 52 16.440 -4.092 4.767 1.00 0.00 C ATOM 751 OG1 THR A 52 17.377 -4.820 5.569 1.00 0.00 O ATOM 752 CG2 THR A 52 17.170 -3.016 3.977 1.00 0.00 C ATOM 0 H THR A 52 13.967 -5.046 5.597 1.00 0.00 H new ATOM 0 HA THR A 52 15.826 -2.932 6.479 1.00 0.00 H new ATOM 0 HB THR A 52 15.958 -4.772 4.065 1.00 0.00 H new ATOM 0 HG1 THR A 52 18.066 -5.212 4.993 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.935 -3.478 3.353 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.459 -2.483 3.345 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.639 -2.314 4.666 1.00 0.00 H new ATOM 760 N ARG A 53 14.186 -1.358 5.423 1.00 0.00 N ATOM 761 CA ARG A 53 13.393 -0.345 4.737 1.00 0.00 C ATOM 762 C ARG A 53 14.049 0.059 3.420 1.00 0.00 C ATOM 763 O ARG A 53 15.156 0.598 3.405 1.00 0.00 O ATOM 764 CB ARG A 53 13.217 0.885 5.629 1.00 0.00 C ATOM 765 CG ARG A 53 11.981 0.825 6.512 1.00 0.00 C ATOM 766 CD ARG A 53 11.447 2.215 6.819 1.00 0.00 C ATOM 767 NE ARG A 53 12.223 2.881 7.862 1.00 0.00 N ATOM 768 CZ ARG A 53 12.096 2.612 9.157 1.00 0.00 C ATOM 769 NH1 ARG A 53 11.230 1.695 9.565 1.00 0.00 N ATOM 770 NH2 ARG A 53 12.838 3.260 10.046 1.00 0.00 N ATOM 0 H ARG A 53 14.452 -1.111 6.376 1.00 0.00 H new ATOM 0 HA ARG A 53 12.414 -0.772 4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.099 0.995 6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.162 1.774 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.207 0.238 6.017 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.223 0.313 7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.465 2.819 5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.406 2.142 7.132 1.00 0.00 H new ATOM 0 HE ARG A 53 12.899 3.591 7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.659 1.194 8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.135 1.490 10.560 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.506 3.965 9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.740 3.053 11.040 1.00 0.00 H new ATOM 784 N VAL A 54 13.359 -0.207 2.315 1.00 0.00 N ATOM 785 CA VAL A 54 13.874 0.129 0.993 1.00 0.00 C ATOM 786 C VAL A 54 13.716 1.618 0.704 1.00 0.00 C ATOM 787 O VAL A 54 14.663 2.281 0.283 1.00 0.00 O ATOM 788 CB VAL A 54 13.158 -0.675 -0.109 1.00 0.00 C ATOM 789 CG1 VAL A 54 13.664 -0.265 -1.483 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.348 -2.168 0.114 1.00 0.00 C ATOM 0 H VAL A 54 12.442 -0.654 2.309 1.00 0.00 H new ATOM 0 HA VAL A 54 14.933 -0.129 0.991 1.00 0.00 H new ATOM 0 HB VAL A 54 12.091 -0.456 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.147 -0.843 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.473 0.797 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.736 -0.454 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.836 -2.722 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.411 -2.407 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 54 12.933 -2.447 1.083 1.00 0.00 H new ATOM 800 N GLN A 55 12.513 2.135 0.933 1.00 0.00 N ATOM 801 CA GLN A 55 12.232 3.546 0.696 1.00 0.00 C ATOM 802 C GLN A 55 11.351 4.118 1.802 1.00 0.00 C ATOM 803 O GLN A 55 10.830 3.380 2.637 1.00 0.00 O ATOM 804 CB GLN A 55 11.552 3.732 -0.661 1.00 0.00 C ATOM 805 CG GLN A 55 10.036 3.633 -0.601 1.00 0.00 C ATOM 806 CD GLN A 55 9.373 4.038 -1.902 1.00 0.00 C ATOM 807 OE1 GLN A 55 8.700 3.233 -2.547 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.559 5.292 -2.297 1.00 0.00 N ATOM 0 H GLN A 55 11.719 1.599 1.282 1.00 0.00 H new ATOM 0 HA GLN A 55 13.180 4.084 0.696 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.828 4.705 -1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.930 2.980 -1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.752 2.610 -0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.666 4.268 0.204 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.124 5.926 -1.732 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.137 5.621 -3.165 1.00 0.00 H new ATOM 817 N GLU A 56 11.190 5.438 1.801 1.00 0.00 N ATOM 818 CA GLU A 56 10.373 6.108 2.806 1.00 0.00 C ATOM 819 C GLU A 56 9.606 7.276 2.192 1.00 0.00 C ATOM 820 O GLU A 56 10.192 8.149 1.552 1.00 0.00 O ATOM 821 CB GLU A 56 11.249 6.608 3.957 1.00 0.00 C ATOM 822 CG GLU A 56 10.586 7.681 4.804 1.00 0.00 C ATOM 823 CD GLU A 56 10.874 9.082 4.300 1.00 0.00 C ATOM 824 OE1 GLU A 56 11.527 9.211 3.244 1.00 0.00 O ATOM 825 OE2 GLU A 56 10.444 10.050 4.962 1.00 0.00 O ATOM 0 H GLU A 56 11.614 6.064 1.116 1.00 0.00 H new ATOM 0 HA GLU A 56 9.654 5.386 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.512 5.764 4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.180 7.002 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.508 7.517 4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.932 7.591 5.834 1.00 0.00 H new ATOM 832 N GLU A 57 8.292 7.283 2.392 1.00 0.00 N ATOM 833 CA GLU A 57 7.444 8.342 1.857 1.00 0.00 C ATOM 834 C GLU A 57 6.212 8.548 2.734 1.00 0.00 C ATOM 835 O GLU A 57 5.270 7.755 2.720 1.00 0.00 O ATOM 836 CB GLU A 57 7.016 8.010 0.426 1.00 0.00 C ATOM 837 CG GLU A 57 6.799 9.236 -0.444 1.00 0.00 C ATOM 838 CD GLU A 57 6.184 8.896 -1.788 1.00 0.00 C ATOM 839 OE1 GLU A 57 6.226 7.711 -2.177 1.00 0.00 O ATOM 840 OE2 GLU A 57 5.660 9.817 -2.450 1.00 0.00 O ATOM 0 H GLU A 57 7.792 6.568 2.920 1.00 0.00 H new ATOM 0 HA GLU A 57 8.022 9.266 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.776 7.378 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.094 7.429 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.152 9.939 0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.753 9.738 -0.602 1.00 0.00 H new ATOM 847 N PRO A 58 6.217 9.638 3.515 1.00 0.00 N ATOM 848 CA PRO A 58 5.108 9.974 4.413 1.00 0.00 C ATOM 849 C PRO A 58 3.858 10.404 3.654 1.00 0.00 C ATOM 850 O PRO A 58 2.746 9.996 3.989 1.00 0.00 O ATOM 851 CB PRO A 58 5.660 11.139 5.238 1.00 0.00 C ATOM 852 CG PRO A 58 6.704 11.755 4.373 1.00 0.00 C ATOM 853 CD PRO A 58 7.306 10.627 3.583 1.00 0.00 C ATOM 0 HA PRO A 58 4.796 9.119 5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.877 11.856 5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.082 10.791 6.181 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.270 12.506 3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.461 12.258 4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.616 10.953 2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.189 10.219 4.074 1.00 0.00 H new ATOM 861 N GLU A 59 4.048 11.230 2.630 1.00 0.00 N ATOM 862 CA GLU A 59 2.934 11.716 1.824 1.00 0.00 C ATOM 863 C GLU A 59 3.035 11.203 0.390 1.00 0.00 C ATOM 864 O GLU A 59 3.696 11.810 -0.453 1.00 0.00 O ATOM 865 CB GLU A 59 2.900 13.246 1.828 1.00 0.00 C ATOM 866 CG GLU A 59 1.732 13.831 1.053 1.00 0.00 C ATOM 867 CD GLU A 59 1.702 15.346 1.100 1.00 0.00 C ATOM 868 OE1 GLU A 59 1.362 15.900 2.167 1.00 0.00 O ATOM 869 OE2 GLU A 59 2.017 15.978 0.070 1.00 0.00 O ATOM 0 H GLU A 59 4.962 11.576 2.339 1.00 0.00 H new ATOM 0 HA GLU A 59 2.011 11.338 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.853 13.597 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.831 13.623 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.790 13.504 0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.799 13.440 1.459 1.00 0.00 H new ATOM 876 N LEU A 60 2.376 10.081 0.122 1.00 0.00 N ATOM 877 CA LEU A 60 2.392 9.484 -1.209 1.00 0.00 C ATOM 878 C LEU A 60 1.075 9.741 -1.936 1.00 0.00 C ATOM 879 O LEU A 60 0.010 9.329 -1.477 1.00 0.00 O ATOM 880 CB LEU A 60 2.649 7.979 -1.112 1.00 0.00 C ATOM 881 CG LEU A 60 2.286 7.155 -2.348 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.777 7.035 -2.485 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.890 7.777 -3.599 1.00 0.00 C ATOM 0 H LEU A 60 1.824 9.566 0.808 1.00 0.00 H new ATOM 0 HA LEU A 60 3.197 9.947 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.706 7.824 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.088 7.589 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 60 2.699 6.154 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.538 6.445 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.369 6.545 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.340 8.029 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.622 7.178 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.506 8.790 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.975 7.810 -3.502 1.00 0.00 H new ATOM 895 N VAL A 61 1.157 10.422 -3.075 1.00 0.00 N ATOM 896 CA VAL A 61 -0.027 10.730 -3.868 1.00 0.00 C ATOM 897 C VAL A 61 0.079 10.135 -5.267 1.00 0.00 C ATOM 898 O VAL A 61 1.176 9.951 -5.795 1.00 0.00 O ATOM 899 CB VAL A 61 -0.244 12.251 -3.983 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.014 12.933 -4.499 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.431 12.552 -4.886 1.00 0.00 C ATOM 0 H VAL A 61 2.031 10.771 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.879 10.287 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.461 12.646 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.841 14.007 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.838 12.745 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.265 12.537 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.570 13.631 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.245 12.145 -5.880 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.330 12.097 -4.470 1.00 0.00 H new ATOM 911 N PHE A 62 -1.070 9.836 -5.865 1.00 0.00 N ATOM 912 CA PHE A 62 -1.107 9.261 -7.205 1.00 0.00 C ATOM 913 C PHE A 62 -2.525 9.287 -7.768 1.00 0.00 C ATOM 914 O PHE A 62 -3.470 9.686 -7.087 1.00 0.00 O ATOM 915 CB PHE A 62 -0.583 7.823 -7.180 1.00 0.00 C ATOM 916 CG PHE A 62 -1.435 6.888 -6.371 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.675 6.482 -6.836 1.00 0.00 C ATOM 918 CD2 PHE A 62 -0.995 6.414 -5.146 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.461 5.622 -6.093 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.777 5.553 -4.398 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.011 5.156 -4.873 1.00 0.00 C ATOM 0 H PHE A 62 -1.987 9.982 -5.443 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.467 9.863 -7.850 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.519 7.450 -8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.429 7.821 -6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.031 6.842 -7.790 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.030 6.720 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.427 5.314 -6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.423 5.192 -3.444 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.623 4.482 -4.292 1.00 0.00 H new ATOM 931 N THR A 63 -2.666 8.860 -9.019 1.00 0.00 N ATOM 932 CA THR A 63 -3.966 8.836 -9.677 1.00 0.00 C ATOM 933 C THR A 63 -4.502 7.412 -9.783 1.00 0.00 C ATOM 934 O THR A 63 -4.082 6.643 -10.648 1.00 0.00 O ATOM 935 CB THR A 63 -3.895 9.452 -11.087 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.539 10.836 -10.999 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.227 9.310 -11.807 1.00 0.00 C ATOM 0 H THR A 63 -1.895 8.526 -9.597 1.00 0.00 H new ATOM 0 HA THR A 63 -4.642 9.432 -9.063 1.00 0.00 H new ATOM 0 HB THR A 63 -3.134 8.917 -11.656 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.494 11.220 -11.899 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.153 9.752 -12.800 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.481 8.254 -11.898 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.004 9.822 -11.239 1.00 0.00 H new ATOM 945 N LEU A 64 -5.433 7.068 -8.900 1.00 0.00 N ATOM 946 CA LEU A 64 -6.027 5.736 -8.895 1.00 0.00 C ATOM 947 C LEU A 64 -6.513 5.352 -10.289 1.00 0.00 C ATOM 948 O LEU A 64 -7.236 6.108 -10.936 1.00 0.00 O ATOM 949 CB LEU A 64 -7.191 5.679 -7.903 1.00 0.00 C ATOM 950 CG LEU A 64 -7.790 4.295 -7.651 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.760 3.374 -7.016 1.00 0.00 C ATOM 952 CD2 LEU A 64 -9.027 4.402 -6.771 1.00 0.00 C ATOM 0 H LEU A 64 -5.793 7.693 -8.179 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.261 5.024 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.851 6.085 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.983 6.335 -8.264 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.086 3.868 -8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.205 2.394 -6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.903 3.272 -7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.432 3.795 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.440 3.408 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.756 4.850 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.772 5.025 -7.265 1.00 0.00 H new ATOM 964 N GLY A 65 -6.113 4.168 -10.744 1.00 0.00 N ATOM 965 CA GLY A 65 -6.519 3.703 -12.058 1.00 0.00 C ATOM 966 C GLY A 65 -5.369 3.678 -13.045 1.00 0.00 C ATOM 967 O GLY A 65 -5.382 2.906 -14.004 1.00 0.00 O ATOM 0 H GLY A 65 -5.516 3.523 -10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.941 2.702 -11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.308 4.350 -12.441 1.00 0.00 H new ATOM 971 N ASP A 66 -4.373 4.524 -12.811 1.00 0.00 N ATOM 972 CA ASP A 66 -3.210 4.597 -13.688 1.00 0.00 C ATOM 973 C ASP A 66 -2.094 3.686 -13.187 1.00 0.00 C ATOM 974 O ASP A 66 -1.099 3.467 -13.880 1.00 0.00 O ATOM 975 CB ASP A 66 -2.705 6.038 -13.782 1.00 0.00 C ATOM 976 CG ASP A 66 -3.376 6.815 -14.897 1.00 0.00 C ATOM 977 OD1 ASP A 66 -4.593 7.077 -14.789 1.00 0.00 O ATOM 978 OD2 ASP A 66 -2.685 7.161 -15.878 1.00 0.00 O ATOM 0 H ASP A 66 -4.347 5.169 -12.021 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.512 4.261 -14.680 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.881 6.544 -12.833 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.627 6.032 -13.945 1.00 0.00 H new ATOM 983 N CYS A 67 -2.265 3.158 -11.980 1.00 0.00 N ATOM 984 CA CYS A 67 -1.271 2.271 -11.385 1.00 0.00 C ATOM 985 C CYS A 67 0.093 2.951 -11.317 1.00 0.00 C ATOM 986 O CYS A 67 1.123 2.325 -11.566 1.00 0.00 O ATOM 987 CB CYS A 67 -1.168 0.975 -12.189 1.00 0.00 C ATOM 988 SG CYS A 67 -0.688 -0.466 -11.208 1.00 0.00 S ATOM 0 H CYS A 67 -3.082 3.329 -11.394 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.591 2.036 -10.370 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.130 0.776 -12.661 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.442 1.114 -12.990 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.630 -1.514 -11.976 1.00 0.00 H new ATOM 994 N ASP A 68 0.091 4.236 -10.980 1.00 0.00 N ATOM 995 CA ASP A 68 1.328 5.002 -10.880 1.00 0.00 C ATOM 996 C ASP A 68 2.160 4.537 -9.689 1.00 0.00 C ATOM 997 O ASP A 68 3.303 4.959 -9.514 1.00 0.00 O ATOM 998 CB ASP A 68 1.020 6.495 -10.750 1.00 0.00 C ATOM 999 CG ASP A 68 2.194 7.366 -11.151 1.00 0.00 C ATOM 1000 OD1 ASP A 68 3.334 6.855 -11.167 1.00 0.00 O ATOM 1001 OD2 ASP A 68 1.974 8.558 -11.450 1.00 0.00 O ATOM 0 H ASP A 68 -0.753 4.769 -10.771 1.00 0.00 H new ATOM 0 HA ASP A 68 1.904 4.836 -11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.160 6.741 -11.373 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.742 6.717 -9.720 1.00 0.00 H new ATOM 1006 N VAL A 69 1.578 3.665 -8.871 1.00 0.00 N ATOM 1007 CA VAL A 69 2.265 3.143 -7.696 1.00 0.00 C ATOM 1008 C VAL A 69 2.345 1.621 -7.738 1.00 0.00 C ATOM 1009 O VAL A 69 1.919 0.993 -8.709 1.00 0.00 O ATOM 1010 CB VAL A 69 1.561 3.573 -6.396 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.720 5.069 -6.173 1.00 0.00 C ATOM 1012 CG2 VAL A 69 0.091 3.185 -6.433 1.00 0.00 C ATOM 0 H VAL A 69 0.632 3.306 -9.001 1.00 0.00 H new ATOM 0 HA VAL A 69 3.273 3.558 -7.708 1.00 0.00 H new ATOM 0 HB VAL A 69 2.029 3.053 -5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.216 5.355 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.779 5.315 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.279 5.611 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.391 3.497 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.394 3.676 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.003 2.104 -6.542 1.00 0.00 H new ATOM 1022 N ILE A 70 2.893 1.033 -6.680 1.00 0.00 N ATOM 1023 CA ILE A 70 3.026 -0.416 -6.595 1.00 0.00 C ATOM 1024 C ILE A 70 1.701 -1.109 -6.894 1.00 0.00 C ATOM 1025 O ILE A 70 0.633 -0.594 -6.566 1.00 0.00 O ATOM 1026 CB ILE A 70 3.520 -0.855 -5.204 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.614 0.091 -4.705 1.00 0.00 C ATOM 1028 CG2 ILE A 70 4.032 -2.287 -5.252 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.662 0.408 -5.749 1.00 0.00 C ATOM 0 H ILE A 70 3.252 1.538 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 70 3.763 -0.709 -7.343 1.00 0.00 H new ATOM 0 HB ILE A 70 2.683 -0.812 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.154 1.021 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.100 -0.355 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.378 -2.583 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.227 -2.951 -5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.858 -2.354 -5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.405 1.083 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.149 -0.514 -6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.188 0.883 -6.608 1.00 0.00 H new ATOM 1041 N GLN A 71 1.780 -2.280 -7.517 1.00 0.00 N ATOM 1042 CA GLN A 71 0.586 -3.044 -7.859 1.00 0.00 C ATOM 1043 C GLN A 71 -0.087 -3.593 -6.605 1.00 0.00 C ATOM 1044 O GLN A 71 -1.210 -4.094 -6.660 1.00 0.00 O ATOM 1045 CB GLN A 71 0.943 -4.193 -8.804 1.00 0.00 C ATOM 1046 CG GLN A 71 0.882 -3.812 -10.275 1.00 0.00 C ATOM 1047 CD GLN A 71 0.976 -5.015 -11.193 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.054 -5.574 -11.395 1.00 0.00 O ATOM 1049 NE2 GLN A 71 -0.157 -5.420 -11.755 1.00 0.00 N ATOM 0 H GLN A 71 2.657 -2.720 -7.795 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.112 -2.373 -8.360 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.947 -4.546 -8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.262 -5.025 -8.624 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.050 -3.282 -10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.695 -3.122 -10.502 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.028 -4.927 -11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.156 -6.224 -12.382 1.00 0.00 H new ATOM 1058 N ALA A 72 0.607 -3.494 -5.476 1.00 0.00 N ATOM 1059 CA ALA A 72 0.075 -3.979 -4.208 1.00 0.00 C ATOM 1060 C ALA A 72 -0.587 -2.851 -3.424 1.00 0.00 C ATOM 1061 O ALA A 72 -1.322 -3.096 -2.466 1.00 0.00 O ATOM 1062 CB ALA A 72 1.181 -4.620 -3.383 1.00 0.00 C ATOM 0 H ALA A 72 1.538 -3.083 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.684 -4.731 -4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.770 -4.978 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.607 -5.458 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.960 -3.884 -3.184 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.322 -1.616 -3.835 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.892 -0.450 -3.170 1.00 0.00 C ATOM 1070 C LEU A 73 -2.113 0.066 -3.926 1.00 0.00 C ATOM 1071 O LEU A 73 -3.120 0.433 -3.322 1.00 0.00 O ATOM 1072 CB LEU A 73 0.155 0.659 -3.053 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.385 2.083 -2.921 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.186 2.232 -1.636 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.753 3.092 -2.962 1.00 0.00 C ATOM 0 H LEU A 73 0.284 -1.396 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.206 -0.751 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.782 0.448 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.799 0.616 -3.931 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.048 2.279 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.563 3.252 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.024 1.535 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.546 2.016 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.349 4.100 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.441 2.898 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.285 3.002 -3.909 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.015 0.089 -5.251 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.112 0.556 -6.090 1.00 0.00 C ATOM 1089 C ASP A 74 -4.245 -0.465 -6.121 1.00 0.00 C ATOM 1090 O ASP A 74 -5.416 -0.105 -6.249 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.615 0.828 -7.511 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.461 1.858 -8.233 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -3.168 3.065 -8.102 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -4.417 1.457 -8.929 1.00 0.00 O ATOM 0 H ASP A 74 -1.187 -0.210 -5.767 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.494 1.483 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.582 1.174 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.618 -0.103 -8.078 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.890 -1.740 -6.005 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.877 -2.814 -6.021 1.00 0.00 C ATOM 1101 C LEU A 75 -5.500 -3.001 -4.642 1.00 0.00 C ATOM 1102 O LEU A 75 -6.393 -3.829 -4.460 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.230 -4.120 -6.483 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.855 -4.197 -7.964 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.251 -2.882 -8.430 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.890 -5.347 -8.210 1.00 0.00 C ATOM 0 H LEU A 75 -2.926 -2.055 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.666 -2.539 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.329 -4.285 -5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.913 -4.940 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.762 -4.381 -8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.990 -2.955 -9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.975 -2.079 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.354 -2.667 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.634 -5.387 -9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.984 -5.194 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.359 -6.285 -7.915 1.00 0.00 H new ATOM 1118 N SER A 76 -5.024 -2.226 -3.673 1.00 0.00 N ATOM 1119 CA SER A 76 -5.533 -2.307 -2.309 1.00 0.00 C ATOM 1120 C SER A 76 -6.210 -1.002 -1.902 1.00 0.00 C ATOM 1121 O SER A 76 -7.130 -0.994 -1.085 1.00 0.00 O ATOM 1122 CB SER A 76 -4.397 -2.630 -1.336 1.00 0.00 C ATOM 1123 OG SER A 76 -3.790 -1.446 -0.850 1.00 0.00 O ATOM 0 H SER A 76 -4.286 -1.535 -3.807 1.00 0.00 H new ATOM 0 HA SER A 76 -6.273 -3.107 -2.272 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.784 -3.213 -0.501 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.650 -3.247 -1.836 1.00 0.00 H new ATOM 0 HG SER A 76 -3.561 -0.863 -1.603 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.747 0.102 -2.480 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.307 1.415 -2.180 1.00 0.00 C ATOM 1131 C VAL A 77 -7.826 1.405 -2.304 1.00 0.00 C ATOM 1132 O VAL A 77 -8.553 1.732 -1.366 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.732 2.497 -3.113 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.756 3.597 -3.349 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.446 3.069 -2.537 1.00 0.00 C ATOM 0 H VAL A 77 -4.986 0.113 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.031 1.650 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.499 2.038 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.332 4.353 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.648 3.171 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.023 4.056 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.054 3.832 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.650 3.514 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.711 2.272 -2.425 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.320 1.022 -3.491 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.758 0.959 -3.767 1.00 0.00 C ATOM 1147 C PRO A 78 -10.446 -0.169 -3.006 1.00 0.00 C ATOM 1148 O PRO A 78 -11.644 -0.402 -3.170 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.819 0.701 -5.275 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.527 0.034 -5.598 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.512 0.619 -4.654 1.00 0.00 C ATOM 0 HA PRO A 78 -10.273 1.868 -3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.667 0.067 -5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.934 1.631 -5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.602 -1.046 -5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.244 0.213 -6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.750 -0.111 -4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.994 1.469 -5.097 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.682 -0.865 -2.172 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.219 -1.970 -1.384 1.00 0.00 C ATOM 1161 C LEU A 79 -10.288 -1.600 0.094 1.00 0.00 C ATOM 1162 O LEU A 79 -10.500 -2.459 0.950 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.357 -3.220 -1.568 1.00 0.00 C ATOM 1164 CG LEU A 79 -9.068 -3.629 -3.013 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.458 -5.021 -3.062 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.339 -3.572 -3.848 1.00 0.00 C ATOM 0 H LEU A 79 -8.689 -0.684 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.229 -2.178 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.406 -3.059 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.849 -4.054 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.350 -2.925 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.259 -5.295 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.525 -5.029 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.152 -5.738 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.114 -3.866 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.080 -4.253 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.734 -2.556 -3.840 1.00 0.00 H new ATOM 1178 N MET A 80 -10.111 -0.316 0.387 1.00 0.00 N ATOM 1179 CA MET A 80 -10.157 0.168 1.762 1.00 0.00 C ATOM 1180 C MET A 80 -10.901 1.497 1.846 1.00 0.00 C ATOM 1181 O MET A 80 -10.792 2.337 0.952 1.00 0.00 O ATOM 1182 CB MET A 80 -8.741 0.326 2.318 1.00 0.00 C ATOM 1183 CG MET A 80 -8.039 1.588 1.842 1.00 0.00 C ATOM 1184 SD MET A 80 -6.249 1.391 1.742 1.00 0.00 S ATOM 1185 CE MET A 80 -5.823 1.280 3.478 1.00 0.00 C ATOM 0 H MET A 80 -9.934 0.408 -0.309 1.00 0.00 H new ATOM 0 HA MET A 80 -10.694 -0.567 2.361 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.786 0.334 3.407 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.147 -0.541 2.029 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.425 1.866 0.862 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.273 2.408 2.521 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.967 0.616 3.601 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.570 2.271 3.855 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.672 0.885 4.036 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.655 1.681 2.924 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.416 2.909 3.124 1.00 0.00 C ATOM 1197 C ASP A 81 -11.503 4.047 3.569 1.00 0.00 C ATOM 1198 O ASP A 81 -10.539 3.833 4.304 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.517 2.688 4.162 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.164 1.322 4.038 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -14.587 0.965 2.919 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.244 0.609 5.060 1.00 0.00 O ATOM 0 H ASP A 81 -11.756 0.996 3.673 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.873 3.183 2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.097 2.799 5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.279 3.459 4.049 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.812 5.258 3.116 1.00 0.00 N ATOM 1208 CA VAL A 82 -11.020 6.431 3.467 1.00 0.00 C ATOM 1209 C VAL A 82 -10.995 6.646 4.976 1.00 0.00 C ATOM 1210 O VAL A 82 -11.994 7.041 5.574 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.566 7.701 2.788 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -13.048 7.871 3.086 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.780 8.924 3.235 1.00 0.00 C ATOM 0 H VAL A 82 -12.605 5.452 2.505 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.006 6.246 3.112 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.447 7.595 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.416 8.773 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.596 7.007 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.195 7.955 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.179 9.812 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.865 9.036 4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.731 8.801 2.965 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.843 6.382 5.587 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.708 6.553 7.021 1.00 0.00 C ATOM 1225 C GLY A 83 -9.379 5.255 7.731 1.00 0.00 C ATOM 1226 O GLY A 83 -9.394 5.192 8.960 1.00 0.00 O ATOM 0 H GLY A 83 -9.002 6.053 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.925 7.283 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.636 6.959 7.424 1.00 0.00 H new ATOM 1230 N GLU A 84 -9.082 4.217 6.956 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.751 2.914 7.520 1.00 0.00 C ATOM 1232 C GLU A 84 -7.332 2.501 7.138 1.00 0.00 C ATOM 1233 O GLU A 84 -6.930 2.612 5.980 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.747 1.857 7.039 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.159 0.458 6.957 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.119 -0.543 6.345 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.065 -0.963 7.044 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -9.924 -0.908 5.167 1.00 0.00 O ATOM 0 H GLU A 84 -9.064 4.253 5.937 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.810 2.991 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.603 1.843 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.121 2.143 6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.244 0.487 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.882 0.125 7.957 1.00 0.00 H new ATOM 1245 N THR A 85 -6.576 2.024 8.123 1.00 0.00 N ATOM 1246 CA THR A 85 -5.202 1.597 7.892 1.00 0.00 C ATOM 1247 C THR A 85 -5.132 0.101 7.607 1.00 0.00 C ATOM 1248 O THR A 85 -5.428 -0.720 8.474 1.00 0.00 O ATOM 1249 CB THR A 85 -4.303 1.920 9.101 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.351 3.322 9.387 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.865 1.501 8.834 1.00 0.00 C ATOM 0 H THR A 85 -6.893 1.924 9.087 1.00 0.00 H new ATOM 0 HA THR A 85 -4.842 2.147 7.023 1.00 0.00 H new ATOM 0 HB THR A 85 -4.674 1.361 9.960 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.778 3.518 10.158 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.250 1.739 9.702 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.828 0.428 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.486 2.035 7.963 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.738 -0.245 6.386 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.626 -1.643 5.987 1.00 0.00 C ATOM 1261 C ALA A 86 -3.247 -1.941 5.409 1.00 0.00 C ATOM 1262 O ALA A 86 -2.672 -1.118 4.697 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.710 -1.992 4.978 1.00 0.00 C ATOM 0 H ALA A 86 -4.491 0.423 5.656 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.759 -2.260 6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.615 -3.039 4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.690 -1.827 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.603 -1.361 4.096 1.00 0.00 H new ATOM 1269 N MET A 87 -2.722 -3.121 5.720 1.00 0.00 N ATOM 1270 CA MET A 87 -1.410 -3.527 5.230 1.00 0.00 C ATOM 1271 C MET A 87 -1.541 -4.443 4.018 1.00 0.00 C ATOM 1272 O MET A 87 -2.589 -5.051 3.797 1.00 0.00 O ATOM 1273 CB MET A 87 -0.625 -4.235 6.337 1.00 0.00 C ATOM 1274 CG MET A 87 0.686 -4.838 5.861 1.00 0.00 C ATOM 1275 SD MET A 87 1.740 -5.371 7.223 1.00 0.00 S ATOM 1276 CE MET A 87 2.396 -3.800 7.778 1.00 0.00 C ATOM 0 H MET A 87 -3.185 -3.813 6.309 1.00 0.00 H new ATOM 0 HA MET A 87 -0.870 -2.630 4.928 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.419 -3.524 7.137 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.245 -5.024 6.763 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.476 -5.690 5.214 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.221 -4.104 5.258 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.276 -3.972 8.398 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.673 -3.196 6.914 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.639 -3.275 8.360 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.472 -4.538 3.234 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.468 -5.381 2.045 1.00 0.00 C ATOM 1288 C VAL A 88 0.884 -6.060 1.857 1.00 0.00 C ATOM 1289 O VAL A 88 1.928 -5.406 1.870 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.802 -4.568 0.780 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.136 -3.855 0.940 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.309 -3.574 0.476 1.00 0.00 C ATOM 0 H VAL A 88 0.403 -4.041 3.401 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.235 -6.141 2.193 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.883 -5.256 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.355 -3.286 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.924 -4.590 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.087 -3.178 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.056 -3.009 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.425 -2.889 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.244 -4.111 0.315 1.00 0.00 H new ATOM 1302 N THR A 89 0.859 -7.377 1.681 1.00 0.00 N ATOM 1303 CA THR A 89 2.082 -8.146 1.491 1.00 0.00 C ATOM 1304 C THR A 89 2.012 -8.986 0.221 1.00 0.00 C ATOM 1305 O THR A 89 1.389 -10.047 0.200 1.00 0.00 O ATOM 1306 CB THR A 89 2.356 -9.073 2.691 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.155 -9.758 3.064 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.884 -8.281 3.877 1.00 0.00 C ATOM 0 H THR A 89 0.004 -7.934 1.666 1.00 0.00 H new ATOM 0 HA THR A 89 2.896 -7.427 1.404 1.00 0.00 H new ATOM 0 HB THR A 89 3.112 -9.801 2.396 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.337 -10.347 3.826 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.070 -8.957 4.712 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.813 -7.784 3.598 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.148 -7.534 4.172 1.00 0.00 H new ATOM 1316 N ALA A 90 2.656 -8.505 -0.838 1.00 0.00 N ATOM 1317 CA ALA A 90 2.669 -9.213 -2.112 1.00 0.00 C ATOM 1318 C ALA A 90 4.090 -9.582 -2.521 1.00 0.00 C ATOM 1319 O ALA A 90 5.060 -9.058 -1.972 1.00 0.00 O ATOM 1320 CB ALA A 90 2.009 -8.368 -3.191 1.00 0.00 C ATOM 0 H ALA A 90 3.176 -7.627 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 90 2.103 -10.137 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.025 -8.909 -4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.977 -8.160 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.551 -7.429 -3.300 1.00 0.00 H new ATOM 1326 N ASP A 91 4.207 -10.486 -3.486 1.00 0.00 N ATOM 1327 CA ASP A 91 5.511 -10.925 -3.969 1.00 0.00 C ATOM 1328 C ASP A 91 6.179 -9.833 -4.799 1.00 0.00 C ATOM 1329 O ASP A 91 5.505 -9.031 -5.445 1.00 0.00 O ATOM 1330 CB ASP A 91 5.368 -12.200 -4.801 1.00 0.00 C ATOM 1331 CG ASP A 91 6.609 -12.501 -5.619 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.609 -12.964 -5.030 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.582 -12.272 -6.846 1.00 0.00 O ATOM 0 H ASP A 91 3.414 -10.930 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 91 6.140 -11.134 -3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.160 -13.041 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.512 -12.101 -5.468 1.00 0.00 H new ATOM 1338 N SER A 92 7.508 -9.809 -4.778 1.00 0.00 N ATOM 1339 CA SER A 92 8.267 -8.813 -5.524 1.00 0.00 C ATOM 1340 C SER A 92 7.642 -8.569 -6.895 1.00 0.00 C ATOM 1341 O SER A 92 7.648 -7.447 -7.402 1.00 0.00 O ATOM 1342 CB SER A 92 9.720 -9.264 -5.687 1.00 0.00 C ATOM 1343 OG SER A 92 9.858 -10.152 -6.783 1.00 0.00 O ATOM 0 H SER A 92 8.081 -10.469 -4.252 1.00 0.00 H new ATOM 0 HA SER A 92 8.245 -7.880 -4.962 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.360 -8.394 -5.837 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.057 -9.754 -4.773 1.00 0.00 H new ATOM 0 HG SER A 92 10.203 -9.663 -7.559 1.00 0.00 H new ATOM 1349 N LYS A 93 7.103 -9.628 -7.489 1.00 0.00 N ATOM 1350 CA LYS A 93 6.472 -9.531 -8.800 1.00 0.00 C ATOM 1351 C LYS A 93 5.495 -8.361 -8.849 1.00 0.00 C ATOM 1352 O LYS A 93 5.485 -7.587 -9.806 1.00 0.00 O ATOM 1353 CB LYS A 93 5.741 -10.834 -9.134 1.00 0.00 C ATOM 1354 CG LYS A 93 4.568 -11.126 -8.215 1.00 0.00 C ATOM 1355 CD LYS A 93 4.160 -12.588 -8.279 1.00 0.00 C ATOM 1356 CE LYS A 93 3.374 -12.893 -9.546 1.00 0.00 C ATOM 1357 NZ LYS A 93 3.554 -14.305 -9.984 1.00 0.00 N ATOM 0 H LYS A 93 7.090 -10.564 -7.083 1.00 0.00 H new ATOM 0 HA LYS A 93 7.254 -9.359 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.383 -10.787 -10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.448 -11.662 -9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.834 -10.866 -7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.721 -10.499 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.049 -13.217 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.556 -12.837 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.316 -12.699 -9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.695 -12.222 -10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.003 -14.473 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.561 -14.484 -10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.224 -14.946 -9.234 1.00 0.00 H new ATOM 1371 N TYR A 94 4.675 -8.237 -7.811 1.00 0.00 N ATOM 1372 CA TYR A 94 3.694 -7.161 -7.736 1.00 0.00 C ATOM 1373 C TYR A 94 4.330 -5.879 -7.209 1.00 0.00 C ATOM 1374 O TYR A 94 3.785 -4.787 -7.378 1.00 0.00 O ATOM 1375 CB TYR A 94 2.525 -7.571 -6.838 1.00 0.00 C ATOM 1376 CG TYR A 94 1.760 -8.770 -7.349 1.00 0.00 C ATOM 1377 CD1 TYR A 94 0.808 -8.635 -8.353 1.00 0.00 C ATOM 1378 CD2 TYR A 94 1.987 -10.038 -6.828 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.106 -9.728 -8.822 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.291 -11.136 -7.293 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.351 -10.977 -8.290 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.346 -12.068 -8.754 1.00 0.00 O ATOM 0 H TYR A 94 4.670 -8.868 -7.010 1.00 0.00 H new ATOM 0 HA TYR A 94 3.322 -6.972 -8.743 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.904 -7.791 -5.840 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.840 -6.729 -6.740 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.614 -7.659 -8.773 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.721 -10.167 -6.046 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.631 -9.605 -9.602 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.482 -12.115 -6.878 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.053 -12.871 -8.275 1.00 0.00 H new ATOM 1392 N CYS A 95 5.486 -6.019 -6.571 1.00 0.00 N ATOM 1393 CA CYS A 95 6.199 -4.873 -6.018 1.00 0.00 C ATOM 1394 C CYS A 95 6.971 -4.135 -7.107 1.00 0.00 C ATOM 1395 O CYS A 95 6.590 -3.038 -7.518 1.00 0.00 O ATOM 1396 CB CYS A 95 7.157 -5.324 -4.915 1.00 0.00 C ATOM 1397 SG CYS A 95 6.365 -6.269 -3.591 1.00 0.00 S ATOM 0 H CYS A 95 5.950 -6.915 -6.424 1.00 0.00 H new ATOM 0 HA CYS A 95 5.463 -4.191 -5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.945 -5.932 -5.359 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.637 -4.446 -4.483 1.00 0.00 H new ATOM 0 HG CYS A 95 7.216 -6.462 -2.627 1.00 0.00 H new ATOM 1403 N TYR A 96 8.057 -4.744 -7.571 1.00 0.00 N ATOM 1404 CA TYR A 96 8.885 -4.143 -8.610 1.00 0.00 C ATOM 1405 C TYR A 96 9.065 -5.101 -9.784 1.00 0.00 C ATOM 1406 O TYR A 96 9.282 -4.676 -10.918 1.00 0.00 O ATOM 1407 CB TYR A 96 10.250 -3.753 -8.041 1.00 0.00 C ATOM 1408 CG TYR A 96 10.186 -2.636 -7.024 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.803 -2.886 -5.712 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.510 -1.331 -7.375 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.742 -1.868 -4.780 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.453 -0.308 -6.449 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.069 -0.581 -5.153 1.00 0.00 C ATOM 1414 OH TYR A 96 10.011 0.435 -4.227 1.00 0.00 O ATOM 0 H TYR A 96 8.384 -5.653 -7.244 1.00 0.00 H new ATOM 0 HA TYR A 96 8.380 -3.247 -8.970 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.705 -4.629 -7.578 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.903 -3.450 -8.860 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.549 -3.893 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.811 -1.113 -8.389 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.440 -2.079 -3.765 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.708 0.701 -6.738 1.00 0.00 H new ATOM 0 HH TYR A 96 10.273 1.279 -4.651 1.00 0.00 H new ATOM 1424 N GLY A 97 8.973 -6.397 -9.502 1.00 0.00 N ATOM 1425 CA GLY A 97 9.127 -7.395 -10.544 1.00 0.00 C ATOM 1426 C GLY A 97 10.239 -8.381 -10.242 1.00 0.00 C ATOM 1427 O GLY A 97 11.120 -8.123 -9.422 1.00 0.00 O ATOM 0 H GLY A 97 8.795 -6.773 -8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.189 -7.936 -10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.334 -6.898 -11.492 1.00 0.00 H new ATOM 1431 N PRO A 98 10.205 -9.541 -10.914 1.00 0.00 N ATOM 1432 CA PRO A 98 11.209 -10.593 -10.730 1.00 0.00 C ATOM 1433 C PRO A 98 12.572 -10.196 -11.287 1.00 0.00 C ATOM 1434 O PRO A 98 13.525 -10.973 -11.230 1.00 0.00 O ATOM 1435 CB PRO A 98 10.634 -11.774 -11.514 1.00 0.00 C ATOM 1436 CG PRO A 98 9.753 -11.154 -12.542 1.00 0.00 C ATOM 1437 CD PRO A 98 9.183 -9.915 -11.907 1.00 0.00 C ATOM 0 HA PRO A 98 11.384 -10.809 -9.676 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.425 -12.365 -11.975 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.072 -12.445 -10.864 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.317 -10.907 -13.442 1.00 0.00 H new ATOM 0 HG3 PRO A 98 8.960 -11.839 -12.841 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.026 -9.124 -12.640 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.219 -10.111 -11.438 1.00 0.00 H new ATOM 1445 N GLN A 99 12.657 -8.984 -11.824 1.00 0.00 N ATOM 1446 CA GLN A 99 13.904 -8.486 -12.392 1.00 0.00 C ATOM 1447 C GLN A 99 14.644 -7.604 -11.392 1.00 0.00 C ATOM 1448 O GLN A 99 15.873 -7.598 -11.343 1.00 0.00 O ATOM 1449 CB GLN A 99 13.628 -7.701 -13.676 1.00 0.00 C ATOM 1450 CG GLN A 99 12.684 -8.412 -14.632 1.00 0.00 C ATOM 1451 CD GLN A 99 12.938 -8.048 -16.081 1.00 0.00 C ATOM 1452 OE1 GLN A 99 13.883 -7.323 -16.395 1.00 0.00 O ATOM 1453 NE2 GLN A 99 12.094 -8.550 -16.975 1.00 0.00 N ATOM 0 H GLN A 99 11.877 -8.328 -11.878 1.00 0.00 H new ATOM 0 HA GLN A 99 14.534 -9.344 -12.628 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.205 -6.731 -13.415 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.572 -7.510 -14.186 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.791 -9.490 -14.508 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.655 -8.162 -14.374 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.324 -9.146 -16.671 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.215 -8.339 -17.966 1.00 0.00 H new ATOM 1462 N GLY A 100 13.885 -6.858 -10.594 1.00 0.00 N ATOM 1463 CA GLY A 100 14.486 -5.981 -9.606 1.00 0.00 C ATOM 1464 C GLY A 100 14.175 -4.520 -9.861 1.00 0.00 C ATOM 1465 O GLY A 100 13.493 -4.183 -10.830 1.00 0.00 O ATOM 0 H GLY A 100 12.865 -6.846 -10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.128 -6.257 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.566 -6.125 -9.607 1.00 0.00 H new ATOM 1529 N TYR A 105 17.223 0.229 -5.309 1.00 0.00 N ATOM 1530 CA TYR A 105 17.370 -1.112 -5.861 1.00 0.00 C ATOM 1531 C TYR A 105 16.771 -2.156 -4.922 1.00 0.00 C ATOM 1532 O TYR A 105 16.812 -2.004 -3.701 1.00 0.00 O ATOM 1533 CB TYR A 105 18.846 -1.424 -6.113 1.00 0.00 C ATOM 1534 CG TYR A 105 19.105 -2.868 -6.481 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.943 -3.883 -5.546 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.514 -3.216 -7.763 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.180 -5.203 -5.878 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.751 -4.534 -8.103 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.583 -5.523 -7.157 1.00 0.00 C ATOM 1540 OH TYR A 105 19.820 -6.837 -7.492 1.00 0.00 O ATOM 0 HA TYR A 105 16.831 -1.149 -6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.213 -0.782 -6.914 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.419 -1.177 -5.219 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.627 -3.636 -4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.649 -2.443 -8.506 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.050 -5.980 -5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 105 20.066 -4.788 -9.104 1.00 0.00 H new ATOM 0 HH TYR A 105 20.095 -6.891 -8.431 1.00 0.00 H new ATOM 1550 N ILE A 106 16.216 -3.215 -5.502 1.00 0.00 N ATOM 1551 CA ILE A 106 15.611 -4.284 -4.718 1.00 0.00 C ATOM 1552 C ILE A 106 15.825 -5.641 -5.381 1.00 0.00 C ATOM 1553 O ILE A 106 15.774 -5.777 -6.604 1.00 0.00 O ATOM 1554 CB ILE A 106 14.101 -4.054 -4.523 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.330 -4.499 -5.768 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.823 -2.590 -4.217 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.947 -5.962 -5.751 1.00 0.00 C ATOM 0 H ILE A 106 16.173 -3.355 -6.511 1.00 0.00 H new ATOM 0 HA ILE A 106 16.100 -4.276 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 106 13.764 -4.652 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.426 -3.896 -5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.937 -4.301 -6.651 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.751 -2.444 -4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.346 -2.303 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.172 -1.973 -5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.404 -6.206 -6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.847 -6.573 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.313 -6.162 -4.887 1.00 0.00 H new ATOM 1569 N PRO A 107 16.070 -6.670 -4.557 1.00 0.00 N ATOM 1570 CA PRO A 107 16.294 -8.036 -5.041 1.00 0.00 C ATOM 1571 C PRO A 107 15.027 -8.665 -5.610 1.00 0.00 C ATOM 1572 O PRO A 107 13.917 -8.415 -5.141 1.00 0.00 O ATOM 1573 CB PRO A 107 16.747 -8.786 -3.786 1.00 0.00 C ATOM 1574 CG PRO A 107 16.159 -8.020 -2.653 1.00 0.00 C ATOM 1575 CD PRO A 107 16.145 -6.581 -3.089 1.00 0.00 C ATOM 0 HA PRO A 107 17.016 -8.066 -5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.394 -9.817 -3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.834 -8.822 -3.717 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.151 -8.369 -2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.751 -8.147 -1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.292 -6.044 -2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.042 -6.054 -2.764 1.00 0.00 H new ATOM 1583 N PRO A 108 15.194 -9.501 -6.645 1.00 0.00 N ATOM 1584 CA PRO A 108 14.075 -10.184 -7.300 1.00 0.00 C ATOM 1585 C PRO A 108 13.448 -11.253 -6.411 1.00 0.00 C ATOM 1586 O PRO A 108 14.107 -11.809 -5.532 1.00 0.00 O ATOM 1587 CB PRO A 108 14.721 -10.825 -8.531 1.00 0.00 C ATOM 1588 CG PRO A 108 16.153 -10.999 -8.160 1.00 0.00 C ATOM 1589 CD PRO A 108 16.490 -9.846 -7.255 1.00 0.00 C ATOM 0 HA PRO A 108 13.262 -9.498 -7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.255 -11.781 -8.770 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.614 -10.190 -9.410 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.312 -11.951 -7.654 1.00 0.00 H new ATOM 0 HG3 PRO A 108 16.788 -10.998 -9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.226 -10.128 -6.502 1.00 0.00 H new ATOM 0 HD3 PRO A 108 16.908 -9.007 -7.811 1.00 0.00 H new ATOM 1597 N HIS A 109 12.170 -11.535 -6.644 1.00 0.00 N ATOM 1598 CA HIS A 109 11.454 -12.539 -5.864 1.00 0.00 C ATOM 1599 C HIS A 109 11.598 -12.270 -4.369 1.00 0.00 C ATOM 1600 O HIS A 109 11.522 -13.188 -3.553 1.00 0.00 O ATOM 1601 CB HIS A 109 11.974 -13.938 -6.194 1.00 0.00 C ATOM 1602 CG HIS A 109 11.984 -14.243 -7.661 1.00 0.00 C ATOM 1603 ND1 HIS A 109 12.985 -14.655 -8.473 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 10.865 -14.134 -8.459 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.459 -14.786 -9.734 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.178 -14.467 -9.699 1.00 0.00 N flip ATOM 0 H HIS A 109 11.609 -11.083 -7.366 1.00 0.00 H new ATOM 0 HA HIS A 109 10.398 -12.481 -6.126 1.00 0.00 H new ATOM 0 HB2 HIS A 109 12.986 -14.042 -5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.357 -14.676 -5.682 1.00 0.00 H new ATOM 0 HD1 HIS A 109 13.951 -14.835 -8.199 1.00 0.00 H new ATOM 0 HD2 HIS A 109 9.886 -13.825 -8.123 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.004 -15.099 -10.612 1.00 0.00 H new ATOM 1615 N ALA A 110 11.805 -11.005 -4.018 1.00 0.00 N ATOM 1616 CA ALA A 110 11.958 -10.615 -2.622 1.00 0.00 C ATOM 1617 C ALA A 110 10.736 -9.847 -2.130 1.00 0.00 C ATOM 1618 O ALA A 110 10.588 -8.656 -2.404 1.00 0.00 O ATOM 1619 CB ALA A 110 13.217 -9.779 -2.443 1.00 0.00 C ATOM 0 H ALA A 110 11.871 -10.233 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 110 12.049 -11.522 -2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.319 -9.495 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.087 -10.361 -2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.148 -8.882 -3.058 1.00 0.00 H new ATOM 1625 N ALA A 111 9.863 -10.536 -1.403 1.00 0.00 N ATOM 1626 CA ALA A 111 8.655 -9.919 -0.871 1.00 0.00 C ATOM 1627 C ALA A 111 8.980 -8.629 -0.125 1.00 0.00 C ATOM 1628 O ALA A 111 10.125 -8.398 0.266 1.00 0.00 O ATOM 1629 CB ALA A 111 7.924 -10.890 0.044 1.00 0.00 C ATOM 0 H ALA A 111 9.970 -11.523 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 111 8.005 -9.669 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.024 -10.415 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.649 -11.783 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.575 -11.169 0.873 1.00 0.00 H new ATOM 1635 N LEU A 112 7.967 -7.792 0.069 1.00 0.00 N ATOM 1636 CA LEU A 112 8.145 -6.524 0.769 1.00 0.00 C ATOM 1637 C LEU A 112 6.865 -6.115 1.489 1.00 0.00 C ATOM 1638 O LEU A 112 5.774 -6.176 0.920 1.00 0.00 O ATOM 1639 CB LEU A 112 8.563 -5.430 -0.216 1.00 0.00 C ATOM 1640 CG LEU A 112 9.705 -5.785 -1.168 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.689 -4.871 -2.384 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.044 -5.698 -0.451 1.00 0.00 C ATOM 0 H LEU A 112 7.014 -7.968 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 112 8.931 -6.654 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.693 -5.153 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.853 -4.547 0.354 1.00 0.00 H new ATOM 0 HG LEU A 112 9.564 -6.811 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.509 -5.138 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.741 -4.983 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.805 -3.836 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.845 -5.954 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.194 -4.683 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.054 -6.394 0.388 1.00 0.00 H new ATOM 1654 N CYS A 113 7.005 -5.696 2.742 1.00 0.00 N ATOM 1655 CA CYS A 113 5.859 -5.274 3.540 1.00 0.00 C ATOM 1656 C CYS A 113 5.490 -3.825 3.238 1.00 0.00 C ATOM 1657 O CYS A 113 6.344 -2.938 3.258 1.00 0.00 O ATOM 1658 CB CYS A 113 6.162 -5.436 5.030 1.00 0.00 C ATOM 1659 SG CYS A 113 4.698 -5.716 6.054 1.00 0.00 S ATOM 0 H CYS A 113 7.900 -5.639 3.227 1.00 0.00 H new ATOM 0 HA CYS A 113 5.012 -5.908 3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 113 6.849 -6.272 5.161 1.00 0.00 H new ATOM 0 HB3 CYS A 113 6.675 -4.542 5.385 1.00 0.00 H new ATOM 0 HG CYS A 113 3.748 -4.911 5.682 1.00 0.00 H new ATOM 1665 N LEU A 114 4.212 -3.592 2.957 1.00 0.00 N ATOM 1666 CA LEU A 114 3.729 -2.251 2.649 1.00 0.00 C ATOM 1667 C LEU A 114 2.459 -1.937 3.432 1.00 0.00 C ATOM 1668 O LEU A 114 1.447 -2.624 3.293 1.00 0.00 O ATOM 1669 CB LEU A 114 3.464 -2.115 1.148 1.00 0.00 C ATOM 1670 CG LEU A 114 4.419 -2.874 0.227 1.00 0.00 C ATOM 1671 CD1 LEU A 114 3.946 -2.793 -1.216 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.833 -2.326 0.357 1.00 0.00 C ATOM 0 H LEU A 114 3.492 -4.315 2.936 1.00 0.00 H new ATOM 0 HA LEU A 114 4.500 -1.538 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.449 -2.456 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.503 -1.057 0.887 1.00 0.00 H new ATOM 0 HG LEU A 114 4.427 -3.922 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.638 -3.339 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.952 -3.232 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.908 -1.749 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.500 -2.878 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.841 -1.271 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.173 -2.436 1.387 1.00 0.00 H new ATOM 1684 N GLU A 115 2.519 -0.893 4.253 1.00 0.00 N ATOM 1685 CA GLU A 115 1.371 -0.487 5.057 1.00 0.00 C ATOM 1686 C GLU A 115 0.667 0.714 4.433 1.00 0.00 C ATOM 1687 O GLU A 115 1.147 1.844 4.521 1.00 0.00 O ATOM 1688 CB GLU A 115 1.813 -0.149 6.482 1.00 0.00 C ATOM 1689 CG GLU A 115 0.685 -0.204 7.498 1.00 0.00 C ATOM 1690 CD GLU A 115 1.130 0.214 8.887 1.00 0.00 C ATOM 1691 OE1 GLU A 115 1.764 -0.610 9.578 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.843 1.363 9.282 1.00 0.00 O ATOM 0 H GLU A 115 3.349 -0.314 4.379 1.00 0.00 H new ATOM 0 HA GLU A 115 0.670 -1.321 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.597 -0.843 6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.250 0.849 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.127 0.445 7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.286 -1.218 7.538 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.474 0.461 3.800 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.246 1.520 3.161 1.00 0.00 C ATOM 1701 C VAL A 116 -2.237 2.143 4.138 1.00 0.00 C ATOM 1702 O VAL A 116 -2.963 1.437 4.839 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.013 0.993 1.934 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.600 2.147 1.136 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.103 0.140 1.063 1.00 0.00 C ATOM 0 H VAL A 116 -0.884 -0.469 3.716 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.534 2.279 2.836 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.835 0.368 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.138 1.756 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.286 2.713 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.796 2.801 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.661 -0.224 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.259 0.740 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.736 -0.708 1.641 1.00 0.00 H new ATOM 1715 N THR A 117 -2.263 3.472 4.179 1.00 0.00 N ATOM 1716 CA THR A 117 -3.165 4.191 5.069 1.00 0.00 C ATOM 1717 C THR A 117 -3.896 5.305 4.329 1.00 0.00 C ATOM 1718 O THR A 117 -3.341 6.380 4.098 1.00 0.00 O ATOM 1719 CB THR A 117 -2.407 4.797 6.266 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.768 3.759 7.017 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.354 5.574 7.168 1.00 0.00 C ATOM 0 H THR A 117 -1.669 4.072 3.606 1.00 0.00 H new ATOM 0 HA THR A 117 -3.891 3.466 5.437 1.00 0.00 H new ATOM 0 HB THR A 117 -1.652 5.483 5.881 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.287 4.152 7.775 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.797 5.993 8.006 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.817 6.381 6.600 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.128 4.905 7.545 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.145 5.043 3.960 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.954 6.024 3.245 1.00 0.00 C ATOM 1731 C LEU A 118 -6.287 7.212 4.143 1.00 0.00 C ATOM 1732 O LEU A 118 -7.047 7.084 5.103 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.243 5.378 2.735 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.824 5.965 1.448 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.342 7.374 1.690 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.780 5.961 0.341 1.00 0.00 C ATOM 0 H LEU A 118 -5.620 4.159 4.144 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.376 6.385 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.055 4.317 2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.998 5.453 3.518 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.661 5.342 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.752 7.775 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.122 7.349 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.524 8.009 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.211 6.382 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.923 6.560 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.457 4.938 0.149 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.716 8.368 3.822 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.955 9.580 4.596 1.00 0.00 C ATOM 1750 C LYS A 119 -7.133 10.366 4.028 1.00 0.00 C ATOM 1751 O LYS A 119 -8.183 10.475 4.662 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.701 10.458 4.607 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.436 9.707 4.986 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.188 9.753 6.485 1.00 0.00 C ATOM 1755 CE LYS A 119 -4.257 8.988 7.250 1.00 0.00 C ATOM 1756 NZ LYS A 119 -5.378 9.873 7.670 1.00 0.00 N ATOM 0 H LYS A 119 -5.084 8.491 3.031 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.196 9.287 5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.569 10.900 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.849 11.280 5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.517 8.670 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.584 10.140 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.208 9.330 6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.171 10.790 6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.644 8.183 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.812 8.523 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.283 9.390 7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.286 10.093 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.349 10.755 7.120 1.00 0.00 H new ATOM 1770 N THR A 120 -6.952 10.910 2.829 1.00 0.00 N ATOM 1771 CA THR A 120 -8.000 11.685 2.175 1.00 0.00 C ATOM 1772 C THR A 120 -7.942 11.520 0.661 1.00 0.00 C ATOM 1773 O THR A 120 -6.862 11.421 0.079 1.00 0.00 O ATOM 1774 CB THR A 120 -7.891 13.181 2.522 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.526 13.606 2.436 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.424 13.453 3.921 1.00 0.00 C ATOM 0 H THR A 120 -6.090 10.828 2.291 1.00 0.00 H new ATOM 0 HA THR A 120 -8.952 11.303 2.543 1.00 0.00 H new ATOM 0 HB THR A 120 -8.492 13.741 1.806 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.466 14.559 2.656 1.00 0.00 H new ATOM 0 HG21 THR A 120 -8.336 14.516 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.471 13.156 3.975 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.847 12.882 4.648 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.110 11.492 0.029 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.192 11.342 -1.419 1.00 0.00 C ATOM 1786 C ALA A 121 -9.934 12.514 -2.051 1.00 0.00 C ATOM 1787 O ALA A 121 -11.109 12.746 -1.765 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.874 10.029 -1.776 1.00 0.00 C ATOM 0 H ALA A 121 -10.013 11.571 0.497 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.177 11.332 -1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.928 9.930 -2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.301 9.198 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.881 10.017 -1.360 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.240 13.252 -2.912 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.833 14.401 -3.586 1.00 0.00 C ATOM 1796 C VAL A 122 -9.466 14.421 -5.065 1.00 0.00 C ATOM 1797 O VAL A 122 -8.831 13.495 -5.570 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.384 15.725 -2.939 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.759 15.753 -1.465 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -7.887 15.925 -3.120 1.00 0.00 C ATOM 0 H VAL A 122 -8.266 13.074 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.914 14.304 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 122 -9.900 16.546 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.434 16.696 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.840 15.658 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.272 14.925 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.587 16.865 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.350 15.101 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.650 15.952 -4.183 1.00 0.00 H new ATOM 1810 N ASP A 123 -9.869 15.483 -5.755 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.581 15.625 -7.177 1.00 0.00 C ATOM 1812 C ASP A 123 -8.541 16.715 -7.415 1.00 0.00 C ATOM 1813 O ASP A 123 -7.820 16.692 -8.412 1.00 0.00 O ATOM 1814 CB ASP A 123 -10.862 15.948 -7.949 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.798 15.492 -9.393 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -10.189 16.209 -10.215 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.356 14.419 -9.702 1.00 0.00 O ATOM 0 H ASP A 123 -10.396 16.258 -5.352 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.178 14.678 -7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.709 15.470 -7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.040 17.023 -7.918 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.470 17.669 -6.493 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.520 18.770 -6.603 1.00 0.00 C ATOM 1824 C ARG A 124 -6.131 18.337 -6.141 1.00 0.00 C ATOM 1825 O ARG A 124 -5.977 17.576 -5.186 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.994 19.966 -5.776 1.00 0.00 C ATOM 1827 CG ARG A 124 -9.263 20.611 -6.310 1.00 0.00 C ATOM 1828 CD ARG A 124 -10.503 20.035 -5.644 1.00 0.00 C ATOM 1829 NE ARG A 124 -11.659 20.046 -6.537 1.00 0.00 N ATOM 1830 CZ ARG A 124 -12.303 21.152 -6.892 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -11.905 22.331 -6.433 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -13.346 21.081 -7.709 1.00 0.00 N ATOM 0 H ARG A 124 -9.059 17.702 -5.661 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.461 19.063 -7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.165 19.642 -4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.201 20.714 -5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -9.224 21.687 -6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.324 20.460 -7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.301 19.013 -5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.733 20.610 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.990 19.155 -6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.103 22.390 -5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.401 23.179 -6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.654 20.176 -8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -13.840 21.931 -7.981 1.00 0.00 H new