USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 429 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 11 LYS NZ :NH3+ -125:sc= 0.785 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot 150:sc= 0.698 USER MOD Single : A 7 SER OG : rot -46:sc= 0.119 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.627 K(o=0.63,f=0) USER MOD Single : A 21 SER OG : rot -89:sc= 1.12 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 27 GLN : amide:sc= -0.0349 K(o=-0.035,f=-5.2!) USER MOD Single : A 28 GLN : amide:sc= -0.285 K(o=-0.28,f=-1) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 36 ASN : amide:sc= 0.529 K(o=0.53,f=-6.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.933 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0499) USER MOD Single : A 63 SER OG : rot 180:sc=0.000211 USER MOD Single : A 67 GLN : amide:sc= -2.66! C(o=-2.7!,f=-5.5!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -0.0483 (180deg=-0.262) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 4.760 3.694 -0.820 1.00 0.00 N ATOM 106 CA SER A 7 5.997 3.689 -0.052 1.00 0.00 C ATOM 107 C SER A 7 6.745 2.372 -0.230 1.00 0.00 C ATOM 108 O SER A 7 6.149 1.349 -0.569 1.00 0.00 O ATOM 109 CB SER A 7 5.702 3.941 1.427 1.00 0.00 C ATOM 110 OG SER A 7 4.696 3.069 1.906 1.00 0.00 O ATOM 0 HA SER A 7 6.634 4.491 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.613 3.804 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.387 4.975 1.566 1.00 0.00 H new ATOM 0 HG SER A 7 3.955 3.041 1.265 1.00 0.00 H new ATOM 116 N GLU A 8 8.053 2.403 -0.018 1.00 0.00 N ATOM 117 CA GLU A 8 8.877 1.202 -0.132 1.00 0.00 C ATOM 118 C GLU A 8 8.461 0.139 0.884 1.00 0.00 C ATOM 119 O GLU A 8 8.555 -1.060 0.617 1.00 0.00 O ATOM 120 CB GLU A 8 10.354 1.557 0.031 1.00 0.00 C ATOM 121 CG GLU A 8 10.645 2.444 1.227 1.00 0.00 C ATOM 122 CD GLU A 8 12.100 2.847 1.290 1.00 0.00 C ATOM 123 OE1 GLU A 8 12.504 3.752 0.531 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.855 2.240 2.075 1.00 0.00 O ATOM 0 H GLU A 8 8.569 3.246 0.234 1.00 0.00 H new ATOM 0 HA GLU A 8 8.724 0.782 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.930 0.637 0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.699 2.058 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.023 3.338 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.374 1.919 2.143 1.00 0.00 H new ATOM 131 N GLU A 9 7.980 0.581 2.038 1.00 0.00 N ATOM 132 CA GLU A 9 7.486 -0.337 3.056 1.00 0.00 C ATOM 133 C GLU A 9 6.207 -1.014 2.561 1.00 0.00 C ATOM 134 O GLU A 9 5.957 -2.185 2.840 1.00 0.00 O ATOM 135 CB GLU A 9 7.223 0.418 4.363 1.00 0.00 C ATOM 136 CG GLU A 9 6.945 -0.486 5.557 1.00 0.00 C ATOM 137 CD GLU A 9 8.114 -1.395 5.898 1.00 0.00 C ATOM 138 OE1 GLU A 9 9.008 -0.965 6.655 1.00 0.00 O ATOM 139 OE2 GLU A 9 8.134 -2.548 5.428 1.00 0.00 O ATOM 0 H GLU A 9 7.921 1.567 2.293 1.00 0.00 H new ATOM 0 HA GLU A 9 8.239 -1.102 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.086 1.045 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.373 1.085 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.706 0.130 6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.067 -1.096 5.347 1.00 0.00 H new ATOM 146 N PHE A 10 5.412 -0.266 1.803 1.00 0.00 N ATOM 147 CA PHE A 10 4.200 -0.801 1.197 1.00 0.00 C ATOM 148 C PHE A 10 4.558 -1.834 0.128 1.00 0.00 C ATOM 149 O PHE A 10 3.913 -2.875 0.015 1.00 0.00 O ATOM 150 CB PHE A 10 3.367 0.332 0.590 1.00 0.00 C ATOM 151 CG PHE A 10 2.062 -0.115 -0.007 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.993 -0.457 0.806 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.901 -0.186 -1.384 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.209 -0.863 0.258 1.00 0.00 C ATOM 155 CE2 PHE A 10 0.702 -0.591 -1.936 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.354 -0.929 -1.113 1.00 0.00 C ATOM 0 H PHE A 10 5.587 0.717 1.594 1.00 0.00 H new ATOM 0 HA PHE A 10 3.607 -1.291 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.165 1.074 1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.956 0.828 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.100 -0.406 1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.724 0.079 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.034 -1.128 0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.590 -0.643 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.293 -1.245 -1.542 1.00 0.00 H new ATOM 166 N LYS A 11 5.598 -1.539 -0.645 1.00 0.00 N ATOM 167 CA LYS A 11 6.107 -2.472 -1.647 1.00 0.00 C ATOM 168 C LYS A 11 6.569 -3.761 -0.973 1.00 0.00 C ATOM 169 O LYS A 11 6.348 -4.862 -1.476 1.00 0.00 O ATOM 170 CB LYS A 11 7.284 -1.849 -2.397 1.00 0.00 C ATOM 171 CG LYS A 11 6.992 -0.473 -2.971 1.00 0.00 C ATOM 172 CD LYS A 11 8.252 0.166 -3.527 1.00 0.00 C ATOM 173 CE LYS A 11 8.026 1.620 -3.897 1.00 0.00 C ATOM 174 NZ LYS A 11 9.279 2.286 -4.343 1.00 0.00 N ATOM 0 H LYS A 11 6.108 -0.657 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 11 5.306 -2.695 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.135 -1.776 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.578 -2.515 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.244 -0.556 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.568 0.165 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.051 0.098 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.583 -0.386 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.282 1.680 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.619 2.153 -3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.443 3.138 -3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.079 1.632 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.192 2.555 -5.344 1.00 0.00 H new ATOM 188 N ARG A 12 7.211 -3.597 0.179 1.00 0.00 N ATOM 189 CA ARG A 12 7.704 -4.716 0.970 1.00 0.00 C ATOM 190 C ARG A 12 6.542 -5.567 1.475 1.00 0.00 C ATOM 191 O ARG A 12 6.638 -6.793 1.535 1.00 0.00 O ATOM 192 CB ARG A 12 8.530 -4.175 2.136 1.00 0.00 C ATOM 193 CG ARG A 12 9.148 -5.237 3.029 1.00 0.00 C ATOM 194 CD ARG A 12 9.973 -4.584 4.122 1.00 0.00 C ATOM 195 NE ARG A 12 10.512 -5.541 5.084 1.00 0.00 N ATOM 196 CZ ARG A 12 10.663 -5.271 6.380 1.00 0.00 C ATOM 197 NH1 ARG A 12 10.229 -4.117 6.873 1.00 0.00 N ATOM 198 NH2 ARG A 12 11.223 -6.161 7.188 1.00 0.00 N ATOM 0 H ARG A 12 7.404 -2.683 0.590 1.00 0.00 H new ATOM 0 HA ARG A 12 8.334 -5.353 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.327 -3.548 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.894 -3.533 2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.364 -5.851 3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.777 -5.901 2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.796 -4.033 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.355 -3.857 4.649 1.00 0.00 H new ATOM 0 HE ARG A 12 10.787 -6.463 4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.780 -3.437 6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.345 -3.911 7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.540 -7.057 6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.336 -5.950 8.179 1.00 0.00 H new ATOM 212 N ASP A 13 5.443 -4.908 1.823 1.00 0.00 N ATOM 213 CA ASP A 13 4.238 -5.603 2.267 1.00 0.00 C ATOM 214 C ASP A 13 3.580 -6.327 1.097 1.00 0.00 C ATOM 215 O ASP A 13 3.013 -7.406 1.257 1.00 0.00 O ATOM 216 CB ASP A 13 3.254 -4.619 2.894 1.00 0.00 C ATOM 217 CG ASP A 13 1.996 -5.301 3.396 1.00 0.00 C ATOM 218 OD1 ASP A 13 2.022 -5.849 4.516 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.968 -5.276 2.685 1.00 0.00 O ATOM 0 H ASP A 13 5.360 -3.891 1.807 1.00 0.00 H new ATOM 0 HA ASP A 13 4.524 -6.339 3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.739 -4.102 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.984 -3.861 2.159 1.00 0.00 H new ATOM 224 N ALA A 14 3.680 -5.731 -0.082 1.00 0.00 N ATOM 225 CA ALA A 14 3.160 -6.346 -1.300 1.00 0.00 C ATOM 226 C ALA A 14 3.889 -7.652 -1.603 1.00 0.00 C ATOM 227 O ALA A 14 3.310 -8.583 -2.166 1.00 0.00 O ATOM 228 CB ALA A 14 3.274 -5.379 -2.469 1.00 0.00 C ATOM 0 H ALA A 14 4.117 -4.820 -0.224 1.00 0.00 H new ATOM 0 HA ALA A 14 2.106 -6.579 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.883 -5.850 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.701 -4.478 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.320 -5.115 -2.622 1.00 0.00 H new ATOM 234 N VAL A 15 5.157 -7.722 -1.213 1.00 0.00 N ATOM 235 CA VAL A 15 5.926 -8.954 -1.334 1.00 0.00 C ATOM 236 C VAL A 15 5.329 -10.024 -0.423 1.00 0.00 C ATOM 237 O VAL A 15 5.243 -11.198 -0.789 1.00 0.00 O ATOM 238 CB VAL A 15 7.416 -8.736 -0.980 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.207 -10.026 -1.148 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.015 -7.635 -1.839 1.00 0.00 C ATOM 0 H VAL A 15 5.674 -6.940 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 15 5.875 -9.280 -2.373 1.00 0.00 H new ATOM 0 HB VAL A 15 7.473 -8.431 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.252 -9.848 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.798 -10.792 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.138 -10.363 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.063 -7.497 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.939 -7.912 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.473 -6.705 -1.669 1.00 0.00 H new ATOM 250 N ALA A 16 4.884 -9.598 0.756 1.00 0.00 N ATOM 251 CA ALA A 16 4.254 -10.498 1.716 1.00 0.00 C ATOM 252 C ALA A 16 2.908 -10.983 1.186 1.00 0.00 C ATOM 253 O ALA A 16 2.477 -12.097 1.475 1.00 0.00 O ATOM 254 CB ALA A 16 4.084 -9.809 3.063 1.00 0.00 C ATOM 0 H ALA A 16 4.949 -8.630 1.070 1.00 0.00 H new ATOM 0 HA ALA A 16 4.901 -11.364 1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.613 -10.496 3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.060 -9.512 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.457 -8.925 2.943 1.00 0.00 H new ATOM 260 N LEU A 17 2.254 -10.138 0.401 1.00 0.00 N ATOM 261 CA LEU A 17 1.016 -10.511 -0.268 1.00 0.00 C ATOM 262 C LEU A 17 1.270 -11.636 -1.272 1.00 0.00 C ATOM 263 O LEU A 17 0.442 -12.530 -1.435 1.00 0.00 O ATOM 264 CB LEU A 17 0.407 -9.291 -0.970 1.00 0.00 C ATOM 265 CG LEU A 17 -0.319 -8.302 -0.053 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.609 -7.004 -0.793 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.617 -8.911 0.459 1.00 0.00 C ATOM 0 H LEU A 17 2.563 -9.184 0.211 1.00 0.00 H new ATOM 0 HA LEU A 17 0.309 -10.872 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.202 -8.759 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.295 -9.641 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 17 0.327 -8.083 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.125 -6.313 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.328 -6.557 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.238 -7.211 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.122 -8.197 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.263 -9.153 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.396 -9.819 1.020 1.00 0.00 H new ATOM 279 N TYR A 18 2.432 -11.603 -1.921 1.00 0.00 N ATOM 280 CA TYR A 18 2.795 -12.641 -2.880 1.00 0.00 C ATOM 281 C TYR A 18 3.143 -13.941 -2.158 1.00 0.00 C ATOM 282 O TYR A 18 3.050 -15.027 -2.734 1.00 0.00 O ATOM 283 CB TYR A 18 3.968 -12.196 -3.759 1.00 0.00 C ATOM 284 CG TYR A 18 4.255 -13.153 -4.895 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.438 -13.187 -6.020 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.331 -14.032 -4.839 1.00 0.00 C ATOM 287 CE1 TYR A 18 3.685 -14.065 -7.056 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.585 -14.915 -5.870 1.00 0.00 C ATOM 289 CZ TYR A 18 4.759 -14.928 -6.976 1.00 0.00 C ATOM 290 OH TYR A 18 5.007 -15.806 -8.004 1.00 0.00 O ATOM 0 H TYR A 18 3.134 -10.873 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 18 1.933 -12.815 -3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.753 -11.209 -4.169 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.860 -12.097 -3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.595 -12.514 -6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.979 -14.024 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.042 -14.077 -7.924 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.425 -15.591 -5.811 1.00 0.00 H new ATOM 0 HH TYR A 18 5.800 -16.342 -7.792 1.00 0.00 H new ATOM 300 N GLU A 19 3.540 -13.834 -0.893 1.00 0.00 N ATOM 301 CA GLU A 19 3.791 -15.015 -0.070 1.00 0.00 C ATOM 302 C GLU A 19 2.487 -15.766 0.173 1.00 0.00 C ATOM 303 O GLU A 19 2.484 -16.947 0.520 1.00 0.00 O ATOM 304 CB GLU A 19 4.411 -14.633 1.272 1.00 0.00 C ATOM 305 CG GLU A 19 5.719 -13.871 1.162 1.00 0.00 C ATOM 306 CD GLU A 19 6.341 -13.612 2.518 1.00 0.00 C ATOM 307 OE1 GLU A 19 5.674 -12.992 3.375 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.486 -14.053 2.748 1.00 0.00 O ATOM 0 H GLU A 19 3.695 -12.946 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 19 4.492 -15.654 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.697 -14.027 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.580 -15.540 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.417 -14.437 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.544 -12.921 0.656 1.00 0.00 H new ATOM 315 N ASN A 20 1.381 -15.060 -0.020 1.00 0.00 N ATOM 316 CA ASN A 20 0.052 -15.614 0.176 1.00 0.00 C ATOM 317 C ASN A 20 -0.642 -15.807 -1.168 1.00 0.00 C ATOM 318 O ASN A 20 -1.871 -15.869 -1.245 1.00 0.00 O ATOM 319 CB ASN A 20 -0.768 -14.678 1.065 1.00 0.00 C ATOM 320 CG ASN A 20 -0.310 -14.701 2.513 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.785 -15.507 3.307 1.00 0.00 O ATOM 322 ND2 ASN A 20 0.613 -13.817 2.867 1.00 0.00 N ATOM 0 H ASN A 20 1.382 -14.084 -0.318 1.00 0.00 H new ATOM 0 HA ASN A 20 0.138 -16.585 0.663 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.695 -13.661 0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.819 -14.963 1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.952 -13.791 3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.984 -13.163 2.178 1.00 0.00 H new ATOM 329 N SER A 21 0.159 -15.939 -2.222 1.00 0.00 N ATOM 330 CA SER A 21 -0.359 -16.056 -3.583 1.00 0.00 C ATOM 331 C SER A 21 -1.161 -17.333 -3.782 1.00 0.00 C ATOM 332 O SER A 21 -1.877 -17.480 -4.777 1.00 0.00 O ATOM 333 CB SER A 21 0.776 -15.995 -4.593 1.00 0.00 C ATOM 334 OG SER A 21 1.813 -16.905 -4.260 1.00 0.00 O ATOM 0 H SER A 21 1.177 -15.968 -2.159 1.00 0.00 H new ATOM 0 HA SER A 21 -1.031 -15.213 -3.743 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.393 -16.225 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.177 -14.982 -4.632 1.00 0.00 H new ATOM 0 HG SER A 21 2.459 -16.463 -3.670 1.00 0.00 H new ATOM 340 N ASP A 22 -1.028 -18.261 -2.849 1.00 0.00 N ATOM 341 CA ASP A 22 -1.835 -19.475 -2.855 1.00 0.00 C ATOM 342 C ASP A 22 -3.319 -19.120 -2.870 1.00 0.00 C ATOM 343 O ASP A 22 -4.136 -19.832 -3.454 1.00 0.00 O ATOM 344 CB ASP A 22 -1.518 -20.335 -1.629 1.00 0.00 C ATOM 345 CG ASP A 22 -2.179 -21.699 -1.683 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.575 -22.631 -2.252 1.00 0.00 O ATOM 347 OD2 ASP A 22 -3.299 -21.849 -1.149 1.00 0.00 O ATOM 0 H ASP A 22 -0.367 -18.199 -2.074 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.596 -20.044 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.438 -20.462 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.845 -19.813 -0.730 1.00 0.00 H new ATOM 352 N GLY A 23 -3.649 -18.000 -2.242 1.00 0.00 N ATOM 353 CA GLY A 23 -5.021 -17.537 -2.208 1.00 0.00 C ATOM 354 C GLY A 23 -5.253 -16.329 -3.100 1.00 0.00 C ATOM 355 O GLY A 23 -6.397 -16.022 -3.445 1.00 0.00 O ATOM 0 H GLY A 23 -2.985 -17.400 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.681 -18.346 -2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.290 -17.284 -1.182 1.00 0.00 H new ATOM 359 N ALA A 24 -4.176 -15.648 -3.490 1.00 0.00 N ATOM 360 CA ALA A 24 -4.290 -14.437 -4.299 1.00 0.00 C ATOM 361 C ALA A 24 -3.121 -14.315 -5.272 1.00 0.00 C ATOM 362 O ALA A 24 -1.987 -14.074 -4.870 1.00 0.00 O ATOM 363 CB ALA A 24 -4.377 -13.209 -3.407 1.00 0.00 C ATOM 0 H ALA A 24 -3.219 -15.914 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.207 -14.505 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.461 -12.315 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.253 -13.289 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.479 -13.141 -2.792 1.00 0.00 H new ATOM 369 N SER A 25 -3.405 -14.488 -6.554 1.00 0.00 N ATOM 370 CA SER A 25 -2.370 -14.476 -7.580 1.00 0.00 C ATOM 371 C SER A 25 -1.799 -13.065 -7.783 1.00 0.00 C ATOM 372 O SER A 25 -2.335 -12.082 -7.264 1.00 0.00 O ATOM 373 CB SER A 25 -2.938 -15.026 -8.894 1.00 0.00 C ATOM 374 OG SER A 25 -1.913 -15.235 -9.854 1.00 0.00 O ATOM 0 H SER A 25 -4.348 -14.639 -6.911 1.00 0.00 H new ATOM 0 HA SER A 25 -1.550 -15.114 -7.250 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.457 -15.965 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.676 -14.330 -9.293 1.00 0.00 H new ATOM 0 HG SER A 25 -2.305 -15.587 -10.680 1.00 0.00 H new ATOM 380 N LEU A 26 -0.713 -12.978 -8.554 1.00 0.00 N ATOM 381 CA LEU A 26 -0.005 -11.719 -8.785 1.00 0.00 C ATOM 382 C LEU A 26 -0.935 -10.650 -9.354 1.00 0.00 C ATOM 383 O LEU A 26 -1.005 -9.537 -8.829 1.00 0.00 O ATOM 384 CB LEU A 26 1.169 -11.947 -9.744 1.00 0.00 C ATOM 385 CG LEU A 26 2.028 -10.711 -10.040 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.762 -10.253 -8.789 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.015 -11.003 -11.159 1.00 0.00 C ATOM 0 H LEU A 26 -0.301 -13.778 -9.035 1.00 0.00 H new ATOM 0 HA LEU A 26 0.369 -11.365 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.811 -12.723 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.777 -12.330 -10.686 1.00 0.00 H new ATOM 0 HG LEU A 26 1.368 -9.906 -10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.365 -9.375 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.038 -10.001 -8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.410 -11.054 -8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.616 -10.115 -11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.668 -11.824 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.470 -11.279 -12.062 1.00 0.00 H new ATOM 399 N GLN A 27 -1.655 -10.992 -10.421 1.00 0.00 N ATOM 400 CA GLN A 27 -2.584 -10.056 -11.044 1.00 0.00 C ATOM 401 C GLN A 27 -3.674 -9.659 -10.059 1.00 0.00 C ATOM 402 O GLN A 27 -4.146 -8.524 -10.066 1.00 0.00 O ATOM 403 CB GLN A 27 -3.220 -10.672 -12.295 1.00 0.00 C ATOM 404 CG GLN A 27 -4.166 -9.728 -13.028 1.00 0.00 C ATOM 405 CD GLN A 27 -3.466 -8.489 -13.548 1.00 0.00 C ATOM 406 OE1 GLN A 27 -2.940 -8.476 -14.664 1.00 0.00 O ATOM 407 NE2 GLN A 27 -3.461 -7.436 -12.751 1.00 0.00 N ATOM 0 H GLN A 27 -1.612 -11.907 -10.869 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.023 -9.168 -11.337 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.430 -10.983 -12.978 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.767 -11.571 -12.009 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.627 -10.257 -13.862 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.970 -9.431 -12.355 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.907 -7.487 -11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.011 -6.571 -13.051 1.00 0.00 H new ATOM 416 N GLN A 28 -4.048 -10.598 -9.202 1.00 0.00 N ATOM 417 CA GLN A 28 -5.127 -10.385 -8.249 1.00 0.00 C ATOM 418 C GLN A 28 -4.727 -9.331 -7.219 1.00 0.00 C ATOM 419 O GLN A 28 -5.517 -8.447 -6.883 1.00 0.00 O ATOM 420 CB GLN A 28 -5.479 -11.698 -7.550 1.00 0.00 C ATOM 421 CG GLN A 28 -6.931 -11.784 -7.118 1.00 0.00 C ATOM 422 CD GLN A 28 -7.874 -11.732 -8.303 1.00 0.00 C ATOM 423 OE1 GLN A 28 -7.532 -12.168 -9.404 1.00 0.00 O ATOM 424 NE2 GLN A 28 -9.066 -11.209 -8.086 1.00 0.00 N ATOM 0 H GLN A 28 -3.617 -11.521 -9.147 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.003 -10.028 -8.790 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.258 -12.528 -8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.840 -11.817 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.092 -12.710 -6.566 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.157 -10.963 -6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.309 -10.860 -7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.745 -11.154 -8.845 1.00 0.00 H new ATOM 433 N ILE A 29 -3.493 -9.428 -6.732 1.00 0.00 N ATOM 434 CA ILE A 29 -2.960 -8.455 -5.786 1.00 0.00 C ATOM 435 C ILE A 29 -2.928 -7.064 -6.407 1.00 0.00 C ATOM 436 O ILE A 29 -3.440 -6.101 -5.834 1.00 0.00 O ATOM 437 CB ILE A 29 -1.534 -8.839 -5.321 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.544 -10.195 -4.601 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.954 -7.763 -4.411 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.406 -10.222 -3.355 1.00 0.00 C ATOM 0 H ILE A 29 -2.842 -10.174 -6.979 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.621 -8.452 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.902 -8.921 -6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.898 -10.960 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.522 -10.459 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.048 -8.054 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.905 -6.818 -4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.590 -7.647 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.361 -11.213 -2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.040 -9.482 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.437 -9.991 -3.621 1.00 0.00 H new ATOM 452 N ALA A 30 -2.343 -6.971 -7.595 1.00 0.00 N ATOM 453 CA ALA A 30 -2.244 -5.699 -8.297 1.00 0.00 C ATOM 454 C ALA A 30 -3.629 -5.135 -8.606 1.00 0.00 C ATOM 455 O ALA A 30 -3.831 -3.919 -8.611 1.00 0.00 O ATOM 456 CB ALA A 30 -1.446 -5.871 -9.581 1.00 0.00 C ATOM 0 H ALA A 30 -1.931 -7.761 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.727 -4.991 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.378 -4.914 -10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.444 -6.226 -9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.944 -6.596 -10.224 1.00 0.00 H new ATOM 462 N ASN A 31 -4.572 -6.034 -8.852 1.00 0.00 N ATOM 463 CA ASN A 31 -5.934 -5.655 -9.206 1.00 0.00 C ATOM 464 C ASN A 31 -6.633 -4.982 -8.030 1.00 0.00 C ATOM 465 O ASN A 31 -7.228 -3.916 -8.175 1.00 0.00 O ATOM 466 CB ASN A 31 -6.727 -6.895 -9.636 1.00 0.00 C ATOM 467 CG ASN A 31 -7.904 -6.574 -10.544 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.485 -5.490 -10.482 1.00 0.00 O ATOM 469 ND2 ASN A 31 -8.265 -7.530 -11.387 1.00 0.00 N ATOM 0 H ASN A 31 -4.417 -7.041 -8.812 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.888 -4.947 -10.034 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.058 -7.585 -10.151 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.093 -7.409 -8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.053 -7.383 -12.018 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.755 -8.413 -11.405 1.00 0.00 H new ATOM 476 N ASP A 32 -6.541 -5.601 -6.858 1.00 0.00 N ATOM 477 CA ASP A 32 -7.232 -5.099 -5.674 1.00 0.00 C ATOM 478 C ASP A 32 -6.600 -3.807 -5.173 1.00 0.00 C ATOM 479 O ASP A 32 -7.302 -2.879 -4.769 1.00 0.00 O ATOM 480 CB ASP A 32 -7.222 -6.139 -4.550 1.00 0.00 C ATOM 481 CG ASP A 32 -8.174 -5.778 -3.421 1.00 0.00 C ATOM 482 OD1 ASP A 32 -9.403 -5.839 -3.635 1.00 0.00 O ATOM 483 OD2 ASP A 32 -7.704 -5.452 -2.312 1.00 0.00 O ATOM 0 H ASP A 32 -5.996 -6.449 -6.702 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.263 -4.898 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.497 -7.112 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.211 -6.233 -4.154 1.00 0.00 H new ATOM 488 N LEU A 33 -5.273 -3.752 -5.207 1.00 0.00 N ATOM 489 CA LEU A 33 -4.533 -2.598 -4.705 1.00 0.00 C ATOM 490 C LEU A 33 -4.535 -1.452 -5.712 1.00 0.00 C ATOM 491 O LEU A 33 -4.204 -0.316 -5.372 1.00 0.00 O ATOM 492 CB LEU A 33 -3.091 -2.993 -4.363 1.00 0.00 C ATOM 493 CG LEU A 33 -2.881 -3.663 -2.992 1.00 0.00 C ATOM 494 CD1 LEU A 33 -3.662 -4.965 -2.878 1.00 0.00 C ATOM 495 CD2 LEU A 33 -1.401 -3.917 -2.755 1.00 0.00 C ATOM 0 H LEU A 33 -4.684 -4.497 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.034 -2.254 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.728 -3.671 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.470 -2.098 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.257 -2.982 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.489 -5.408 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.726 -4.763 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.331 -5.657 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.264 -4.391 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.015 -4.572 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.861 -2.970 -2.776 1.00 0.00 H new ATOM 507 N GLY A 34 -4.916 -1.754 -6.946 1.00 0.00 N ATOM 508 CA GLY A 34 -4.953 -0.739 -7.979 1.00 0.00 C ATOM 509 C GLY A 34 -3.564 -0.296 -8.391 1.00 0.00 C ATOM 510 O GLY A 34 -3.283 0.901 -8.470 1.00 0.00 O ATOM 0 H GLY A 34 -5.200 -2.685 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.483 -1.127 -8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.517 0.122 -7.621 1.00 0.00 H new ATOM 514 N ILE A 35 -2.693 -1.267 -8.635 1.00 0.00 N ATOM 515 CA ILE A 35 -1.323 -0.998 -9.039 1.00 0.00 C ATOM 516 C ILE A 35 -0.975 -1.800 -10.289 1.00 0.00 C ATOM 517 O ILE A 35 -1.749 -2.654 -10.720 1.00 0.00 O ATOM 518 CB ILE A 35 -0.315 -1.333 -7.918 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.528 -2.764 -7.413 1.00 0.00 C ATOM 520 CG2 ILE A 35 -0.433 -0.328 -6.779 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.470 -3.191 -6.358 1.00 0.00 C ATOM 0 H ILE A 35 -2.917 -2.259 -8.558 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.252 0.069 -9.251 1.00 0.00 H new ATOM 0 HB ILE A 35 0.694 -1.267 -8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.535 -2.850 -7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.467 -3.451 -8.257 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.284 -0.578 -5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.225 0.674 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.442 -0.360 -6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.257 -4.214 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.478 -3.139 -6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.394 -2.528 -5.496 1.00 0.00 H new ATOM 533 N ASN A 36 0.180 -1.518 -10.872 1.00 0.00 N ATOM 534 CA ASN A 36 0.599 -2.194 -12.090 1.00 0.00 C ATOM 535 C ASN A 36 1.109 -3.595 -11.791 1.00 0.00 C ATOM 536 O ASN A 36 1.764 -3.826 -10.774 1.00 0.00 O ATOM 537 CB ASN A 36 1.693 -1.388 -12.775 1.00 0.00 C ATOM 538 CG ASN A 36 1.923 -1.824 -14.203 1.00 0.00 C ATOM 539 OD1 ASN A 36 2.730 -2.708 -14.475 1.00 0.00 O ATOM 540 ND2 ASN A 36 1.208 -1.204 -15.123 1.00 0.00 N ATOM 0 H ASN A 36 0.843 -0.827 -10.522 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.266 -2.276 -12.749 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.426 -0.331 -12.759 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.621 -1.490 -12.213 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.315 -1.454 -16.106 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.549 -0.475 -14.851 1.00 0.00 H new ATOM 547 N ARG A 37 0.824 -4.517 -12.698 1.00 0.00 N ATOM 548 CA ARG A 37 1.245 -5.901 -12.549 1.00 0.00 C ATOM 549 C ARG A 37 2.760 -6.017 -12.655 1.00 0.00 C ATOM 550 O ARG A 37 3.388 -6.766 -11.908 1.00 0.00 O ATOM 551 CB ARG A 37 0.585 -6.766 -13.621 1.00 0.00 C ATOM 552 CG ARG A 37 0.909 -8.245 -13.509 1.00 0.00 C ATOM 553 CD ARG A 37 0.315 -9.020 -14.674 1.00 0.00 C ATOM 554 NE ARG A 37 0.873 -8.594 -15.958 1.00 0.00 N ATOM 555 CZ ARG A 37 0.135 -8.179 -16.995 1.00 0.00 C ATOM 556 NH1 ARG A 37 -1.191 -8.126 -16.903 1.00 0.00 N ATOM 557 NH2 ARG A 37 0.728 -7.812 -18.125 1.00 0.00 N ATOM 0 H ARG A 37 0.298 -4.329 -13.552 1.00 0.00 H new ATOM 0 HA ARG A 37 0.937 -6.250 -11.563 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.496 -6.636 -13.563 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.897 -6.410 -14.603 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.990 -8.384 -13.488 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.519 -8.637 -12.570 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.501 -10.085 -14.533 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.766 -8.884 -14.686 1.00 0.00 H new ATOM 0 HE ARG A 37 1.887 -8.615 -16.070 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.654 -8.403 -16.037 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.745 -7.808 -17.698 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.744 -7.847 -18.202 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.167 -7.496 -18.916 1.00 0.00 H new ATOM 571 N VAL A 38 3.338 -5.255 -13.576 1.00 0.00 N ATOM 572 CA VAL A 38 4.772 -5.326 -13.834 1.00 0.00 C ATOM 573 C VAL A 38 5.549 -4.665 -12.705 1.00 0.00 C ATOM 574 O VAL A 38 6.567 -5.184 -12.250 1.00 0.00 O ATOM 575 CB VAL A 38 5.144 -4.653 -15.176 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.631 -4.812 -15.478 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.312 -5.231 -16.308 1.00 0.00 C ATOM 0 H VAL A 38 2.837 -4.582 -14.156 1.00 0.00 H new ATOM 0 HA VAL A 38 5.038 -6.381 -13.893 1.00 0.00 H new ATOM 0 HB VAL A 38 4.928 -3.588 -15.089 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.863 -4.329 -16.427 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.215 -4.349 -14.683 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.878 -5.872 -15.540 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.586 -4.747 -17.245 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.497 -6.302 -16.385 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.255 -5.059 -16.107 1.00 0.00 H new ATOM 587 N THR A 39 5.057 -3.522 -12.254 1.00 0.00 N ATOM 588 CA THR A 39 5.687 -2.800 -11.165 1.00 0.00 C ATOM 589 C THR A 39 5.685 -3.643 -9.885 1.00 0.00 C ATOM 590 O THR A 39 6.686 -3.703 -9.172 1.00 0.00 O ATOM 591 CB THR A 39 4.973 -1.460 -10.917 1.00 0.00 C ATOM 592 OG1 THR A 39 4.742 -0.805 -12.171 1.00 0.00 O ATOM 593 CG2 THR A 39 5.807 -0.556 -10.024 1.00 0.00 C ATOM 0 H THR A 39 4.220 -3.075 -12.628 1.00 0.00 H new ATOM 0 HA THR A 39 6.720 -2.597 -11.447 1.00 0.00 H new ATOM 0 HB THR A 39 4.025 -1.661 -10.418 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.286 0.048 -12.015 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.280 0.385 -9.864 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.974 -1.046 -9.065 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.766 -0.357 -10.502 1.00 0.00 H new ATOM 601 N LEU A 40 4.563 -4.310 -9.620 1.00 0.00 N ATOM 602 CA LEU A 40 4.444 -5.194 -8.466 1.00 0.00 C ATOM 603 C LEU A 40 5.443 -6.348 -8.569 1.00 0.00 C ATOM 604 O LEU A 40 6.136 -6.678 -7.605 1.00 0.00 O ATOM 605 CB LEU A 40 3.016 -5.741 -8.381 1.00 0.00 C ATOM 606 CG LEU A 40 2.760 -6.733 -7.241 1.00 0.00 C ATOM 607 CD1 LEU A 40 3.008 -6.083 -5.889 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.344 -7.281 -7.316 1.00 0.00 C ATOM 0 H LEU A 40 3.721 -4.253 -10.193 1.00 0.00 H new ATOM 0 HA LEU A 40 4.666 -4.626 -7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.329 -4.902 -8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.775 -6.229 -9.326 1.00 0.00 H new ATOM 0 HG LEU A 40 3.458 -7.562 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.819 -6.808 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.043 -5.744 -5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.340 -5.230 -5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.182 -7.983 -6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.631 -6.460 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.202 -7.793 -8.268 1.00 0.00 H new ATOM 620 N LYS A 41 5.514 -6.941 -9.756 1.00 0.00 N ATOM 621 CA LYS A 41 6.445 -8.029 -10.037 1.00 0.00 C ATOM 622 C LYS A 41 7.881 -7.586 -9.773 1.00 0.00 C ATOM 623 O LYS A 41 8.670 -8.308 -9.159 1.00 0.00 O ATOM 624 CB LYS A 41 6.273 -8.461 -11.495 1.00 0.00 C ATOM 625 CG LYS A 41 7.125 -9.651 -11.911 1.00 0.00 C ATOM 626 CD LYS A 41 8.330 -9.212 -12.728 1.00 0.00 C ATOM 627 CE LYS A 41 9.164 -10.400 -13.174 1.00 0.00 C ATOM 628 NZ LYS A 41 10.290 -9.984 -14.052 1.00 0.00 N ATOM 0 H LYS A 41 4.929 -6.682 -10.550 1.00 0.00 H new ATOM 0 HA LYS A 41 6.232 -8.872 -9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.224 -8.705 -11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.513 -7.616 -12.141 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.461 -10.188 -11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.522 -10.346 -12.495 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.994 -8.654 -13.602 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.946 -8.536 -12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.557 -10.917 -12.299 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.531 -11.110 -13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.837 -10.822 -14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.914 -9.512 -14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.908 -9.326 -13.536 1.00 0.00 H new ATOM 642 N ASN A 42 8.200 -6.391 -10.241 1.00 0.00 N ATOM 643 CA ASN A 42 9.526 -5.802 -10.050 1.00 0.00 C ATOM 644 C ASN A 42 9.861 -5.636 -8.567 1.00 0.00 C ATOM 645 O ASN A 42 10.993 -5.896 -8.152 1.00 0.00 O ATOM 646 CB ASN A 42 9.618 -4.444 -10.755 1.00 0.00 C ATOM 647 CG ASN A 42 9.882 -4.559 -12.244 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.547 -5.562 -12.880 1.00 0.00 O ATOM 649 ND2 ASN A 42 10.485 -3.529 -12.808 1.00 0.00 N ATOM 0 H ASN A 42 7.554 -5.799 -10.763 1.00 0.00 H new ATOM 0 HA ASN A 42 10.252 -6.487 -10.489 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.688 -3.897 -10.599 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.414 -3.857 -10.296 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.691 -3.543 -13.807 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.745 -2.719 -12.245 1.00 0.00 H new ATOM 656 N TRP A 43 8.880 -5.207 -7.775 1.00 0.00 N ATOM 657 CA TRP A 43 9.092 -4.991 -6.344 1.00 0.00 C ATOM 658 C TRP A 43 9.522 -6.277 -5.653 1.00 0.00 C ATOM 659 O TRP A 43 10.419 -6.266 -4.807 1.00 0.00 O ATOM 660 CB TRP A 43 7.825 -4.464 -5.662 1.00 0.00 C ATOM 661 CG TRP A 43 7.391 -3.104 -6.114 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.137 -2.171 -6.779 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.102 -2.516 -5.910 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.382 -1.048 -7.014 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.130 -1.234 -6.488 1.00 0.00 C ATOM 666 CE3 TRP A 43 4.920 -2.951 -5.299 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.027 -0.387 -6.475 1.00 0.00 C ATOM 668 CZ3 TRP A 43 3.826 -2.106 -5.286 1.00 0.00 C ATOM 669 CH2 TRP A 43 3.886 -0.836 -5.871 1.00 0.00 C ATOM 0 H TRP A 43 7.934 -5.003 -8.098 1.00 0.00 H new ATOM 0 HA TRP A 43 9.883 -4.247 -6.253 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.012 -5.168 -5.841 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.992 -4.438 -4.585 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.168 -2.298 -7.076 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.701 -0.211 -7.501 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.864 -3.930 -4.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.071 0.593 -6.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.909 -2.431 -4.816 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.014 -0.199 -5.845 1.00 0.00 H new ATOM 680 N ILE A 44 8.881 -7.380 -6.024 1.00 0.00 N ATOM 681 CA ILE A 44 9.146 -8.674 -5.408 1.00 0.00 C ATOM 682 C ILE A 44 10.606 -9.078 -5.593 1.00 0.00 C ATOM 683 O ILE A 44 11.238 -9.580 -4.669 1.00 0.00 O ATOM 684 CB ILE A 44 8.230 -9.769 -5.997 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.763 -9.361 -5.862 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.479 -11.104 -5.301 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.805 -10.311 -6.548 1.00 0.00 C ATOM 0 H ILE A 44 8.169 -7.403 -6.754 1.00 0.00 H new ATOM 0 HA ILE A 44 8.937 -8.575 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 44 8.463 -9.885 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.507 -9.301 -4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.632 -8.362 -6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.825 -11.865 -5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.519 -11.399 -5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.271 -11.003 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.783 -9.959 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.034 -10.353 -7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.907 -11.306 -6.115 1.00 0.00 H new ATOM 699 N ILE A 45 11.137 -8.832 -6.781 1.00 0.00 N ATOM 700 CA ILE A 45 12.511 -9.211 -7.092 1.00 0.00 C ATOM 701 C ILE A 45 13.512 -8.256 -6.441 1.00 0.00 C ATOM 702 O ILE A 45 14.556 -8.677 -5.940 1.00 0.00 O ATOM 703 CB ILE A 45 12.758 -9.246 -8.617 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.757 -10.188 -9.297 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.191 -9.675 -8.927 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.904 -10.250 -10.800 1.00 0.00 C ATOM 0 H ILE A 45 10.641 -8.373 -7.545 1.00 0.00 H new ATOM 0 HA ILE A 45 12.659 -10.212 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 45 12.613 -8.240 -9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.879 -11.191 -8.887 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.745 -9.865 -9.053 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.340 -9.692 -10.007 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.888 -8.969 -8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.369 -10.671 -8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.163 -10.936 -11.210 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.752 -9.257 -11.222 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.904 -10.602 -11.054 1.00 0.00 H new ATOM 718 N LYS A 46 13.179 -6.973 -6.441 1.00 0.00 N ATOM 719 CA LYS A 46 14.092 -5.945 -5.961 1.00 0.00 C ATOM 720 C LYS A 46 14.143 -5.918 -4.430 1.00 0.00 C ATOM 721 O LYS A 46 15.219 -6.002 -3.835 1.00 0.00 O ATOM 722 CB LYS A 46 13.665 -4.579 -6.513 1.00 0.00 C ATOM 723 CG LYS A 46 14.619 -3.442 -6.181 1.00 0.00 C ATOM 724 CD LYS A 46 14.163 -2.142 -6.827 1.00 0.00 C ATOM 725 CE LYS A 46 15.081 -0.979 -6.479 1.00 0.00 C ATOM 726 NZ LYS A 46 16.466 -1.159 -6.998 1.00 0.00 N ATOM 0 H LYS A 46 12.281 -6.618 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 46 15.095 -6.178 -6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.569 -4.652 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.678 -4.335 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.676 -3.315 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.622 -3.692 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.131 -2.267 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.148 -1.912 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.663 -0.058 -6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.116 -0.862 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.013 -0.290 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.922 -1.952 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.431 -1.361 -8.018 1.00 0.00 H new ATOM 740 N TYR A 47 12.980 -5.823 -3.795 1.00 0.00 N ATOM 741 CA TYR A 47 12.918 -5.702 -2.341 1.00 0.00 C ATOM 742 C TYR A 47 13.012 -7.073 -1.688 1.00 0.00 C ATOM 743 O TYR A 47 13.587 -7.224 -0.606 1.00 0.00 O ATOM 744 CB TYR A 47 11.643 -4.973 -1.919 1.00 0.00 C ATOM 745 CG TYR A 47 11.582 -3.553 -2.445 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.126 -2.497 -1.721 1.00 0.00 C ATOM 747 CD2 TYR A 47 10.995 -3.271 -3.674 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.083 -1.205 -2.207 1.00 0.00 C ATOM 749 CE2 TYR A 47 10.950 -1.982 -4.164 1.00 0.00 C ATOM 750 CZ TYR A 47 11.495 -0.954 -3.427 1.00 0.00 C ATOM 751 OH TYR A 47 11.447 0.333 -3.914 1.00 0.00 O ATOM 0 H TYR A 47 12.072 -5.827 -4.260 1.00 0.00 H new ATOM 0 HA TYR A 47 13.769 -5.111 -2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.776 -5.527 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.582 -4.956 -0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.589 -2.690 -0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.567 -4.075 -4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.509 -0.395 -1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.490 -1.780 -5.120 1.00 0.00 H new ATOM 0 HH TYR A 47 11.463 0.313 -4.894 1.00 0.00 H new ATOM 761 N GLY A 48 12.457 -8.068 -2.361 1.00 0.00 N ATOM 762 CA GLY A 48 12.637 -9.441 -1.945 1.00 0.00 C ATOM 763 C GLY A 48 13.863 -10.031 -2.600 1.00 0.00 C ATOM 764 O GLY A 48 13.769 -10.991 -3.368 1.00 0.00 O ATOM 0 H GLY A 48 11.881 -7.947 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.737 -9.489 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.757 -10.027 -2.211 1.00 0.00 H new ATOM 928 N ALA A 61 38.473 -8.406 5.967 1.00 0.00 N ATOM 929 CA ALA A 61 38.738 -7.228 5.150 1.00 0.00 C ATOM 930 C ALA A 61 39.901 -6.422 5.712 1.00 0.00 C ATOM 931 O ALA A 61 40.372 -5.471 5.092 1.00 0.00 O ATOM 932 CB ALA A 61 37.493 -6.365 5.036 1.00 0.00 C ATOM 0 HA ALA A 61 39.015 -7.566 4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 61 37.711 -5.491 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 61 36.692 -6.942 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 61 37.182 -6.042 6.030 1.00 0.00 H new ATOM 938 N VAL A 62 40.378 -6.827 6.875 1.00 0.00 N ATOM 939 CA VAL A 62 41.530 -6.185 7.490 1.00 0.00 C ATOM 940 C VAL A 62 42.806 -6.663 6.810 1.00 0.00 C ATOM 941 O VAL A 62 43.767 -5.913 6.647 1.00 0.00 O ATOM 942 CB VAL A 62 41.610 -6.476 9.006 1.00 0.00 C ATOM 943 CG1 VAL A 62 42.790 -5.751 9.636 1.00 0.00 C ATOM 944 CG2 VAL A 62 40.315 -6.080 9.699 1.00 0.00 C ATOM 0 H VAL A 62 39.986 -7.599 7.415 1.00 0.00 H new ATOM 0 HA VAL A 62 41.418 -5.108 7.363 1.00 0.00 H new ATOM 0 HB VAL A 62 41.758 -7.548 9.135 1.00 0.00 H new ATOM 0 HG11 VAL A 62 42.825 -5.971 10.703 1.00 0.00 H new ATOM 0 HG12 VAL A 62 43.715 -6.085 9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 62 42.676 -4.677 9.491 1.00 0.00 H new ATOM 0 HG21 VAL A 62 40.393 -6.293 10.765 1.00 0.00 H new ATOM 0 HG22 VAL A 62 40.136 -5.015 9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 62 39.487 -6.648 9.275 1.00 0.00 H new ATOM 954 N SER A 63 42.786 -7.913 6.388 1.00 0.00 N ATOM 955 CA SER A 63 43.909 -8.515 5.692 1.00 0.00 C ATOM 956 C SER A 63 44.099 -7.868 4.325 1.00 0.00 C ATOM 957 O SER A 63 45.213 -7.768 3.811 1.00 0.00 O ATOM 958 CB SER A 63 43.647 -10.007 5.527 1.00 0.00 C ATOM 959 OG SER A 63 43.201 -10.572 6.750 1.00 0.00 O ATOM 0 H SER A 63 41.992 -8.540 6.517 1.00 0.00 H new ATOM 0 HA SER A 63 44.818 -8.360 6.274 1.00 0.00 H new ATOM 0 HB2 SER A 63 42.898 -10.167 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 63 44.558 -10.508 5.199 1.00 0.00 H new ATOM 0 HG SER A 63 43.036 -11.530 6.627 1.00 0.00 H new ATOM 965 N GLU A 64 42.993 -7.423 3.752 1.00 0.00 N ATOM 966 CA GLU A 64 42.997 -6.795 2.440 1.00 0.00 C ATOM 967 C GLU A 64 43.610 -5.396 2.507 1.00 0.00 C ATOM 968 O GLU A 64 44.027 -4.841 1.492 1.00 0.00 O ATOM 969 CB GLU A 64 41.571 -6.718 1.893 1.00 0.00 C ATOM 970 CG GLU A 64 41.498 -6.478 0.393 1.00 0.00 C ATOM 971 CD GLU A 64 41.943 -7.685 -0.414 1.00 0.00 C ATOM 972 OE1 GLU A 64 43.163 -7.902 -0.552 1.00 0.00 O ATOM 973 OE2 GLU A 64 41.067 -8.423 -0.918 1.00 0.00 O ATOM 0 H GLU A 64 42.070 -7.486 4.181 1.00 0.00 H new ATOM 0 HA GLU A 64 43.605 -7.403 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 64 41.052 -7.647 2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 64 41.039 -5.917 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 64 40.475 -6.220 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 64 42.122 -5.623 0.135 1.00 0.00 H new ATOM 980 N ALA A 65 43.675 -4.839 3.713 1.00 0.00 N ATOM 981 CA ALA A 65 44.169 -3.478 3.919 1.00 0.00 C ATOM 982 C ALA A 65 45.613 -3.325 3.448 1.00 0.00 C ATOM 983 O ALA A 65 46.029 -2.232 3.058 1.00 0.00 O ATOM 984 CB ALA A 65 44.044 -3.079 5.383 1.00 0.00 C ATOM 0 H ALA A 65 43.389 -5.313 4.570 1.00 0.00 H new ATOM 0 HA ALA A 65 43.551 -2.811 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 65 44.417 -2.063 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 65 42.997 -3.124 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 65 44.628 -3.764 5.998 1.00 0.00 H new ATOM 990 N GLU A 66 46.368 -4.421 3.472 1.00 0.00 N ATOM 991 CA GLU A 66 47.749 -4.408 2.995 1.00 0.00 C ATOM 992 C GLU A 66 47.768 -4.063 1.504 1.00 0.00 C ATOM 993 O GLU A 66 48.601 -3.284 1.038 1.00 0.00 O ATOM 994 CB GLU A 66 48.396 -5.776 3.236 1.00 0.00 C ATOM 995 CG GLU A 66 49.852 -5.716 3.685 1.00 0.00 C ATOM 996 CD GLU A 66 50.789 -5.143 2.639 1.00 0.00 C ATOM 997 OE1 GLU A 66 50.985 -3.913 2.625 1.00 0.00 O ATOM 998 OE2 GLU A 66 51.352 -5.921 1.839 1.00 0.00 O ATOM 0 H GLU A 66 46.048 -5.327 3.815 1.00 0.00 H new ATOM 0 HA GLU A 66 48.317 -3.655 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 66 47.818 -6.309 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 66 48.336 -6.359 2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 66 49.919 -5.112 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 66 50.184 -6.721 3.946 1.00 0.00 H new ATOM 1005 N GLN A 67 46.816 -4.627 0.773 1.00 0.00 N ATOM 1006 CA GLN A 67 46.676 -4.374 -0.656 1.00 0.00 C ATOM 1007 C GLN A 67 46.046 -3.001 -0.880 1.00 0.00 C ATOM 1008 O GLN A 67 46.473 -2.242 -1.749 1.00 0.00 O ATOM 1009 CB GLN A 67 45.804 -5.450 -1.327 1.00 0.00 C ATOM 1010 CG GLN A 67 46.409 -6.853 -1.356 1.00 0.00 C ATOM 1011 CD GLN A 67 46.626 -7.450 0.024 1.00 0.00 C ATOM 1012 OE1 GLN A 67 47.710 -7.348 0.592 1.00 0.00 O ATOM 1013 NE2 GLN A 67 45.592 -8.054 0.588 1.00 0.00 N ATOM 0 H GLN A 67 46.121 -5.271 1.151 1.00 0.00 H new ATOM 0 HA GLN A 67 47.670 -4.404 -1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 67 44.847 -5.495 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 67 45.596 -5.140 -2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 67 45.754 -7.510 -1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 67 47.363 -6.817 -1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 67 44.706 -8.121 0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 67 45.682 -8.452 1.523 1.00 0.00 H new ATOM 1022 N ILE A 68 45.032 -2.698 -0.074 1.00 0.00 N ATOM 1023 CA ILE A 68 44.304 -1.435 -0.164 1.00 0.00 C ATOM 1024 C ILE A 68 45.244 -0.238 -0.041 1.00 0.00 C ATOM 1025 O ILE A 68 45.175 0.696 -0.840 1.00 0.00 O ATOM 1026 CB ILE A 68 43.205 -1.339 0.921 1.00 0.00 C ATOM 1027 CG1 ILE A 68 42.149 -2.425 0.704 1.00 0.00 C ATOM 1028 CG2 ILE A 68 42.562 0.042 0.917 1.00 0.00 C ATOM 1029 CD1 ILE A 68 41.054 -2.433 1.750 1.00 0.00 C ATOM 0 H ILE A 68 44.692 -3.320 0.659 1.00 0.00 H new ATOM 0 HA ILE A 68 43.833 -1.413 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 68 43.668 -1.494 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 68 41.698 -2.289 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 68 42.639 -3.399 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 68 41.792 0.087 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 68 43.321 0.798 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 68 42.111 0.231 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 68 40.344 -3.230 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 68 41.492 -2.601 2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 68 40.536 -1.474 1.742 1.00 0.00 H new ATOM 1041 N ARG A 69 46.142 -0.281 0.940 1.00 0.00 N ATOM 1042 CA ARG A 69 47.037 0.843 1.185 1.00 0.00 C ATOM 1043 C ARG A 69 47.993 1.060 0.012 1.00 0.00 C ATOM 1044 O ARG A 69 48.431 2.183 -0.230 1.00 0.00 O ATOM 1045 CB ARG A 69 47.819 0.673 2.495 1.00 0.00 C ATOM 1046 CG ARG A 69 48.825 -0.468 2.506 1.00 0.00 C ATOM 1047 CD ARG A 69 49.636 -0.463 3.793 1.00 0.00 C ATOM 1048 NE ARG A 69 50.596 -1.565 3.852 1.00 0.00 N ATOM 1049 CZ ARG A 69 51.633 -1.615 4.690 1.00 0.00 C ATOM 1050 NH1 ARG A 69 51.885 -0.605 5.519 1.00 0.00 N ATOM 1051 NH2 ARG A 69 52.427 -2.679 4.680 1.00 0.00 N ATOM 0 H ARG A 69 46.268 -1.073 1.571 1.00 0.00 H new ATOM 0 HA ARG A 69 46.412 1.731 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 69 48.346 1.603 2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 69 47.108 0.517 3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 69 48.303 -1.419 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 69 49.493 -0.377 1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 69 50.169 0.484 3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 69 48.960 -0.528 4.645 1.00 0.00 H new ATOM 0 HE ARG A 69 50.464 -2.347 3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 69 51.283 0.218 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 69 52.681 -0.654 6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 69 52.241 -3.448 4.036 1.00 0.00 H new ATOM 0 HH22 ARG A 69 53.223 -2.728 5.316 1.00 0.00 H new ATOM 1065 N GLN A 70 48.308 -0.005 -0.718 1.00 0.00 N ATOM 1066 CA GLN A 70 49.177 0.099 -1.877 1.00 0.00 C ATOM 1067 C GLN A 70 48.476 0.846 -3.001 1.00 0.00 C ATOM 1068 O GLN A 70 49.009 1.799 -3.569 1.00 0.00 O ATOM 1069 CB GLN A 70 49.546 -1.290 -2.380 1.00 0.00 C ATOM 1070 CG GLN A 70 50.638 -1.267 -3.429 1.00 0.00 C ATOM 1071 CD GLN A 70 50.693 -2.539 -4.261 1.00 0.00 C ATOM 1072 OE1 GLN A 70 50.048 -2.637 -5.305 1.00 0.00 O ATOM 1073 NE2 GLN A 70 51.465 -3.513 -3.813 1.00 0.00 N ATOM 0 H GLN A 70 47.973 -0.949 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 70 50.075 0.640 -1.579 1.00 0.00 H new ATOM 0 HB2 GLN A 70 49.871 -1.901 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 70 48.659 -1.767 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 70 50.481 -0.414 -4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 70 51.601 -1.118 -2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 70 51.984 -3.393 -2.943 1.00 0.00 H new ATOM 0 HE22 GLN A 70 51.542 -4.385 -4.337 1.00 0.00 H new ATOM 1082 N LEU A 71 47.270 0.396 -3.305 1.00 0.00 N ATOM 1083 CA LEU A 71 46.504 0.912 -4.425 1.00 0.00 C ATOM 1084 C LEU A 71 45.990 2.324 -4.176 1.00 0.00 C ATOM 1085 O LEU A 71 45.917 3.134 -5.104 1.00 0.00 O ATOM 1086 CB LEU A 71 45.328 -0.020 -4.721 1.00 0.00 C ATOM 1087 CG LEU A 71 45.627 -1.200 -5.653 1.00 0.00 C ATOM 1088 CD1 LEU A 71 46.173 -0.705 -6.987 1.00 0.00 C ATOM 1089 CD2 LEU A 71 46.600 -2.177 -5.008 1.00 0.00 C ATOM 0 H LEU A 71 46.795 -0.339 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 71 47.174 0.956 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 71 44.955 -0.414 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 71 44.523 0.570 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 71 44.691 -1.728 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 71 46.379 -1.557 -7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 71 45.437 -0.057 -7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 71 47.094 -0.146 -6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 71 46.793 -3.003 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 71 47.536 -1.665 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 71 46.169 -2.564 -4.085 1.00 0.00 H new ATOM 1101 N LYS A 72 45.624 2.621 -2.936 1.00 0.00 N ATOM 1102 CA LYS A 72 45.013 3.906 -2.624 1.00 0.00 C ATOM 1103 C LYS A 72 46.058 5.012 -2.458 1.00 0.00 C ATOM 1104 O LYS A 72 45.780 6.180 -2.741 1.00 0.00 O ATOM 1105 CB LYS A 72 44.152 3.806 -1.367 1.00 0.00 C ATOM 1106 CG LYS A 72 43.242 5.009 -1.174 1.00 0.00 C ATOM 1107 CD LYS A 72 42.428 4.916 0.102 1.00 0.00 C ATOM 1108 CE LYS A 72 41.451 6.076 0.207 1.00 0.00 C ATOM 1109 NZ LYS A 72 42.140 7.395 0.132 1.00 0.00 N ATOM 0 H LYS A 72 45.738 1.997 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 72 44.379 4.171 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 72 43.545 2.902 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 72 44.800 3.704 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 72 43.844 5.917 -1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 72 42.568 5.093 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 72 41.882 3.973 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 72 43.095 4.917 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 72 40.716 6.005 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 72 40.904 6.006 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 41.474 8.150 0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 42.946 7.403 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 42.482 7.553 -0.837 1.00 0.00 H new