USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 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 Single : A 13 CYS SG : rot 180:sc= 0.0525 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 81:sc= 0.482 USER MOD Single : A 18 TYR OH : rot 149:sc= 0.0655 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.025) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 1.75 (180deg=1.31) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 1.21 (180deg=1.19) USER MOD Single : A 33 TYR OH : rot -94:sc= 1.39 USER MOD Single : A 36 THR OG1 : rot -37:sc= 0.612 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= -0.0195 (180deg=-0.203) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 159:sc= -0.63 (180deg=-1.26) USER MOD Single : A 60 GLN : amide:sc= 0.282 X(o=0.28,f=0) USER MOD Single : A 64 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 65 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0.0013) USER MOD Single : A 77 SER OG : rot -55:sc= 0.982 USER MOD Single : A 78 THR OG1 : rot 128:sc= 1.25 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.253 F(o=-1.9!,f=-0.25) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0.807 (180deg=0.422) USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -4.350 -9.602 3.649 1.00 0.00 N ATOM 155 CA GLY A 11 -3.471 -8.561 4.077 1.00 0.00 C ATOM 156 C GLY A 11 -2.291 -8.532 3.155 1.00 0.00 C ATOM 157 O GLY A 11 -2.208 -7.683 2.273 1.00 0.00 O ATOM 0 HA2 GLY A 11 -3.986 -7.600 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.147 -8.736 5.103 1.00 0.00 H new ATOM 161 N LEU A 12 -1.429 -9.524 3.311 1.00 0.00 N ATOM 162 CA LEU A 12 -0.245 -9.707 2.466 1.00 0.00 C ATOM 163 C LEU A 12 -0.696 -9.894 1.022 1.00 0.00 C ATOM 164 O LEU A 12 -0.166 -9.284 0.088 1.00 0.00 O ATOM 165 CB LEU A 12 0.508 -10.969 2.965 1.00 0.00 C ATOM 166 CG LEU A 12 1.925 -11.273 2.408 1.00 0.00 C ATOM 167 CD1 LEU A 12 1.914 -11.744 0.957 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.809 -10.068 2.562 1.00 0.00 C ATOM 0 H LEU A 12 -1.527 -10.236 4.034 1.00 0.00 H new ATOM 0 HA LEU A 12 0.415 -8.841 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.590 -10.895 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.121 -11.833 2.751 1.00 0.00 H new ATOM 0 HG LEU A 12 2.323 -12.100 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.935 -11.939 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.326 -12.658 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.472 -10.972 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.801 -10.291 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.381 -9.230 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.888 -9.807 3.617 1.00 0.00 H new ATOM 180 N CYS A 13 -1.679 -10.737 0.874 1.00 0.00 N ATOM 181 CA CYS A 13 -2.270 -11.068 -0.393 1.00 0.00 C ATOM 182 C CYS A 13 -2.832 -9.817 -1.078 1.00 0.00 C ATOM 183 O CYS A 13 -2.604 -9.590 -2.266 1.00 0.00 O ATOM 184 CB CYS A 13 -3.376 -12.057 -0.122 1.00 0.00 C ATOM 185 SG CYS A 13 -2.833 -13.551 0.754 1.00 0.00 S ATOM 0 H CYS A 13 -2.106 -11.230 1.659 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.521 -11.493 -1.061 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.152 -11.566 0.465 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.829 -12.348 -1.070 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.851 -14.337 0.943 1.00 0.00 H new ATOM 191 N ARG A 14 -3.516 -8.992 -0.291 1.00 0.00 N ATOM 192 CA ARG A 14 -4.143 -7.772 -0.770 1.00 0.00 C ATOM 193 C ARG A 14 -3.079 -6.818 -1.298 1.00 0.00 C ATOM 194 O ARG A 14 -3.266 -6.180 -2.326 1.00 0.00 O ATOM 195 CB ARG A 14 -4.902 -7.118 0.373 1.00 0.00 C ATOM 196 CG ARG A 14 -5.818 -5.984 -0.031 1.00 0.00 C ATOM 197 CD ARG A 14 -6.439 -5.345 1.196 1.00 0.00 C ATOM 198 NE ARG A 14 -7.094 -6.334 2.059 1.00 0.00 N ATOM 199 CZ ARG A 14 -7.350 -6.172 3.361 1.00 0.00 C ATOM 200 NH1 ARG A 14 -7.052 -5.033 3.975 1.00 0.00 N ATOM 201 NH2 ARG A 14 -7.892 -7.160 4.033 1.00 0.00 N ATOM 0 H ARG A 14 -3.650 -9.156 0.707 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.836 -8.010 -1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.495 -7.881 0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.181 -6.741 1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.257 -5.238 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.601 -6.358 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.668 -4.824 1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.167 -4.596 0.885 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.377 -7.216 1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.623 -4.269 3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.252 -4.922 4.969 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.112 -8.037 3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.093 -7.051 5.027 1.00 0.00 H new ATOM 215 N LEU A 15 -1.959 -6.753 -0.582 1.00 0.00 N ATOM 216 CA LEU A 15 -0.823 -5.921 -0.962 1.00 0.00 C ATOM 217 C LEU A 15 -0.384 -6.245 -2.370 1.00 0.00 C ATOM 218 O LEU A 15 -0.275 -5.359 -3.212 1.00 0.00 O ATOM 219 CB LEU A 15 0.360 -6.166 -0.029 1.00 0.00 C ATOM 220 CG LEU A 15 0.181 -5.826 1.441 1.00 0.00 C ATOM 221 CD1 LEU A 15 1.448 -6.085 2.221 1.00 0.00 C ATOM 222 CD2 LEU A 15 -0.261 -4.407 1.608 1.00 0.00 C ATOM 0 H LEU A 15 -1.815 -7.278 0.281 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.139 -4.880 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.630 -7.220 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.208 -5.594 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.597 -6.477 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.288 -5.832 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.717 -7.138 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.255 -5.472 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.383 -4.186 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.489 -3.740 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.211 -4.259 1.095 1.00 0.00 H new ATOM 234 N SER A 16 -0.186 -7.526 -2.624 1.00 0.00 N ATOM 235 CA SER A 16 0.267 -8.002 -3.907 1.00 0.00 C ATOM 236 C SER A 16 -0.728 -7.627 -5.008 1.00 0.00 C ATOM 237 O SER A 16 -0.334 -7.087 -6.032 1.00 0.00 O ATOM 238 CB SER A 16 0.497 -9.521 -3.861 1.00 0.00 C ATOM 239 OG SER A 16 1.036 -10.010 -5.082 1.00 0.00 O ATOM 0 H SER A 16 -0.338 -8.265 -1.938 1.00 0.00 H new ATOM 0 HA SER A 16 1.217 -7.521 -4.141 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.175 -9.761 -3.042 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.446 -10.025 -3.652 1.00 0.00 H new ATOM 0 HG SER A 16 1.170 -10.978 -5.016 1.00 0.00 H new ATOM 245 N THR A 17 -2.015 -7.849 -4.750 1.00 0.00 N ATOM 246 CA THR A 17 -3.079 -7.581 -5.717 1.00 0.00 C ATOM 247 C THR A 17 -3.159 -6.073 -6.104 1.00 0.00 C ATOM 248 O THR A 17 -3.636 -5.717 -7.189 1.00 0.00 O ATOM 249 CB THR A 17 -4.426 -8.075 -5.142 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.266 -9.443 -4.725 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.540 -8.008 -6.176 1.00 0.00 C ATOM 0 H THR A 17 -2.351 -8.221 -3.862 1.00 0.00 H new ATOM 0 HA THR A 17 -2.851 -8.124 -6.634 1.00 0.00 H new ATOM 0 HB THR A 17 -4.701 -7.431 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.840 -9.468 -3.843 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.470 -8.364 -5.732 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.667 -6.977 -6.508 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.282 -8.635 -7.030 1.00 0.00 H new ATOM 259 N TYR A 18 -2.686 -5.212 -5.236 1.00 0.00 N ATOM 260 CA TYR A 18 -2.671 -3.791 -5.532 1.00 0.00 C ATOM 261 C TYR A 18 -1.341 -3.359 -6.109 1.00 0.00 C ATOM 262 O TYR A 18 -1.293 -2.600 -7.066 1.00 0.00 O ATOM 263 CB TYR A 18 -3.034 -2.954 -4.306 1.00 0.00 C ATOM 264 CG TYR A 18 -4.506 -2.974 -3.969 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.122 -4.123 -3.503 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.283 -1.837 -4.125 1.00 0.00 C ATOM 267 CE1 TYR A 18 -6.460 -4.145 -3.203 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.623 -1.855 -3.825 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.207 -3.010 -3.365 1.00 0.00 C ATOM 270 OH TYR A 18 -8.551 -3.031 -3.070 1.00 0.00 O ATOM 0 H TYR A 18 -2.307 -5.463 -4.323 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.436 -3.615 -6.289 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.469 -3.319 -3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.724 -1.923 -4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.536 -5.021 -3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.829 -0.926 -4.487 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.921 -5.052 -2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.217 -0.962 -3.951 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.832 -2.145 -2.760 1.00 0.00 H new ATOM 280 N LEU A 19 -0.266 -3.873 -5.563 1.00 0.00 N ATOM 281 CA LEU A 19 1.065 -3.498 -6.006 1.00 0.00 C ATOM 282 C LEU A 19 1.398 -4.071 -7.387 1.00 0.00 C ATOM 283 O LEU A 19 2.271 -3.558 -8.077 1.00 0.00 O ATOM 284 CB LEU A 19 2.124 -3.873 -4.956 1.00 0.00 C ATOM 285 CG LEU A 19 2.030 -3.125 -3.607 1.00 0.00 C ATOM 286 CD1 LEU A 19 3.048 -3.665 -2.625 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.239 -1.625 -3.806 1.00 0.00 C ATOM 0 H LEU A 19 -0.282 -4.557 -4.806 1.00 0.00 H new ATOM 0 HA LEU A 19 1.078 -2.413 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.052 -4.943 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.111 -3.692 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 19 1.032 -3.287 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.966 -3.125 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.862 -4.725 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.051 -3.534 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.169 -1.117 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.224 -1.449 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.473 -1.237 -4.478 1.00 0.00 H new ATOM 299 N GLU A 20 0.686 -5.127 -7.794 1.00 0.00 N ATOM 300 CA GLU A 20 0.862 -5.705 -9.133 1.00 0.00 C ATOM 301 C GLU A 20 0.291 -4.764 -10.196 1.00 0.00 C ATOM 302 O GLU A 20 0.617 -4.864 -11.381 1.00 0.00 O ATOM 303 CB GLU A 20 0.198 -7.081 -9.244 1.00 0.00 C ATOM 304 CG GLU A 20 -1.288 -7.059 -8.998 1.00 0.00 C ATOM 305 CD GLU A 20 -1.944 -8.379 -9.258 1.00 0.00 C ATOM 306 OE1 GLU A 20 -1.846 -9.290 -8.424 1.00 0.00 O ATOM 307 OE2 GLU A 20 -2.592 -8.521 -10.321 1.00 0.00 O ATOM 0 H GLU A 20 -0.014 -5.598 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 20 1.932 -5.832 -9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.387 -7.486 -10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.665 -7.759 -8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.475 -6.764 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.745 -6.301 -9.634 1.00 0.00 H new ATOM 314 N GLU A 21 -0.553 -3.842 -9.758 1.00 0.00 N ATOM 315 CA GLU A 21 -1.154 -2.873 -10.642 1.00 0.00 C ATOM 316 C GLU A 21 -0.190 -1.748 -10.909 1.00 0.00 C ATOM 317 O GLU A 21 -0.425 -0.934 -11.781 1.00 0.00 O ATOM 318 CB GLU A 21 -2.433 -2.301 -10.032 1.00 0.00 C ATOM 319 CG GLU A 21 -3.536 -3.313 -9.830 1.00 0.00 C ATOM 320 CD GLU A 21 -4.085 -3.844 -11.127 1.00 0.00 C ATOM 321 OE1 GLU A 21 -3.470 -4.750 -11.734 1.00 0.00 O ATOM 322 OE2 GLU A 21 -5.168 -3.385 -11.559 1.00 0.00 O ATOM 0 H GLU A 21 -0.835 -3.750 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.400 -3.377 -11.577 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.191 -1.849 -9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.803 -1.503 -10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.156 -4.143 -9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.344 -2.854 -9.259 1.00 0.00 H new ATOM 329 N LEU A 22 0.890 -1.712 -10.169 1.00 0.00 N ATOM 330 CA LEU A 22 1.856 -0.648 -10.282 1.00 0.00 C ATOM 331 C LEU A 22 3.033 -1.067 -11.128 1.00 0.00 C ATOM 332 O LEU A 22 3.640 -2.115 -10.889 1.00 0.00 O ATOM 333 CB LEU A 22 2.347 -0.215 -8.900 1.00 0.00 C ATOM 334 CG LEU A 22 1.291 0.292 -7.928 1.00 0.00 C ATOM 335 CD1 LEU A 22 1.951 0.809 -6.671 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.434 1.371 -8.563 1.00 0.00 C ATOM 0 H LEU A 22 1.124 -2.419 -9.472 1.00 0.00 H new ATOM 0 HA LEU A 22 1.361 0.194 -10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.856 -1.062 -8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.091 0.570 -9.034 1.00 0.00 H new ATOM 0 HG LEU A 22 0.637 -0.540 -7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.188 1.170 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.515 0.005 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.626 1.626 -6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.311 1.713 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.065 2.209 -8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.068 0.967 -9.442 1.00 0.00 H new ATOM 348 N GLU A 23 3.348 -0.256 -12.112 1.00 0.00 N ATOM 349 CA GLU A 23 4.489 -0.500 -12.968 1.00 0.00 C ATOM 350 C GLU A 23 5.772 -0.008 -12.285 1.00 0.00 C ATOM 351 O GLU A 23 5.717 0.501 -11.159 1.00 0.00 O ATOM 352 CB GLU A 23 4.293 0.165 -14.335 1.00 0.00 C ATOM 353 CG GLU A 23 4.182 1.670 -14.319 1.00 0.00 C ATOM 354 CD GLU A 23 4.056 2.244 -15.709 1.00 0.00 C ATOM 355 OE1 GLU A 23 2.927 2.391 -16.207 1.00 0.00 O ATOM 356 OE2 GLU A 23 5.089 2.562 -16.327 1.00 0.00 O ATOM 0 H GLU A 23 2.824 0.588 -12.342 1.00 0.00 H new ATOM 0 HA GLU A 23 4.582 -1.573 -13.136 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.129 -0.113 -14.977 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.391 -0.243 -14.791 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.315 1.963 -13.726 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.060 2.093 -13.831 1.00 0.00 H new ATOM 363 N ALA A 24 6.908 -0.133 -12.972 1.00 0.00 N ATOM 364 CA ALA A 24 8.218 0.239 -12.429 1.00 0.00 C ATOM 365 C ALA A 24 8.244 1.664 -11.886 1.00 0.00 C ATOM 366 O ALA A 24 8.661 1.876 -10.758 1.00 0.00 O ATOM 367 CB ALA A 24 9.320 0.038 -13.457 1.00 0.00 C ATOM 0 H ALA A 24 6.947 -0.496 -13.924 1.00 0.00 H new ATOM 0 HA ALA A 24 8.403 -0.429 -11.588 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.279 0.323 -13.023 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.353 -1.010 -13.754 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.119 0.657 -14.331 1.00 0.00 H new ATOM 373 N VAL A 25 7.767 2.630 -12.672 1.00 0.00 N ATOM 374 CA VAL A 25 7.745 4.028 -12.226 1.00 0.00 C ATOM 375 C VAL A 25 6.816 4.217 -11.015 1.00 0.00 C ATOM 376 O VAL A 25 7.124 4.975 -10.097 1.00 0.00 O ATOM 377 CB VAL A 25 7.372 5.044 -13.370 1.00 0.00 C ATOM 378 CG1 VAL A 25 6.008 4.766 -13.952 1.00 0.00 C ATOM 379 CG2 VAL A 25 7.415 6.470 -12.861 1.00 0.00 C ATOM 0 H VAL A 25 7.395 2.476 -13.609 1.00 0.00 H new ATOM 0 HA VAL A 25 8.767 4.256 -11.925 1.00 0.00 H new ATOM 0 HB VAL A 25 8.115 4.914 -14.157 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.793 5.491 -14.737 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.990 3.760 -14.372 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.255 4.846 -13.168 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.154 7.153 -13.669 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.703 6.586 -12.044 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.419 6.699 -12.503 1.00 0.00 H new ATOM 389 N GLU A 26 5.725 3.481 -10.985 1.00 0.00 N ATOM 390 CA GLU A 26 4.779 3.606 -9.902 1.00 0.00 C ATOM 391 C GLU A 26 5.374 3.050 -8.622 1.00 0.00 C ATOM 392 O GLU A 26 5.269 3.670 -7.555 1.00 0.00 O ATOM 393 CB GLU A 26 3.483 2.913 -10.245 1.00 0.00 C ATOM 394 CG GLU A 26 2.845 3.409 -11.526 1.00 0.00 C ATOM 395 CD GLU A 26 2.489 4.864 -11.480 1.00 0.00 C ATOM 396 OE1 GLU A 26 1.539 5.255 -10.754 1.00 0.00 O ATOM 397 OE2 GLU A 26 3.158 5.656 -12.134 1.00 0.00 O ATOM 0 H GLU A 26 5.474 2.794 -11.696 1.00 0.00 H new ATOM 0 HA GLU A 26 4.560 4.663 -9.747 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.667 1.842 -10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.780 3.050 -9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.529 3.234 -12.357 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.945 2.827 -11.726 1.00 0.00 H new ATOM 404 N LEU A 27 6.034 1.911 -8.744 1.00 0.00 N ATOM 405 CA LEU A 27 6.720 1.299 -7.623 1.00 0.00 C ATOM 406 C LEU A 27 7.857 2.189 -7.167 1.00 0.00 C ATOM 407 O LEU A 27 8.077 2.352 -5.991 1.00 0.00 O ATOM 408 CB LEU A 27 7.239 -0.104 -7.975 1.00 0.00 C ATOM 409 CG LEU A 27 6.178 -1.177 -8.267 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.844 -2.465 -8.723 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.328 -1.442 -7.028 1.00 0.00 C ATOM 0 H LEU A 27 6.108 1.389 -9.617 1.00 0.00 H new ATOM 0 HA LEU A 27 6.005 1.186 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.886 -0.019 -8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.860 -0.454 -7.150 1.00 0.00 H new ATOM 0 HG LEU A 27 5.530 -0.811 -9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.081 -3.217 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.419 -2.276 -9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.510 -2.827 -7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.583 -2.204 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.967 -1.789 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.826 -0.522 -6.727 1.00 0.00 H new ATOM 423 N LYS A 28 8.545 2.783 -8.126 1.00 0.00 N ATOM 424 CA LYS A 28 9.642 3.710 -7.885 1.00 0.00 C ATOM 425 C LYS A 28 9.179 4.877 -7.002 1.00 0.00 C ATOM 426 O LYS A 28 9.822 5.201 -5.998 1.00 0.00 O ATOM 427 CB LYS A 28 10.146 4.210 -9.241 1.00 0.00 C ATOM 428 CG LYS A 28 11.295 5.194 -9.227 1.00 0.00 C ATOM 429 CD LYS A 28 11.651 5.565 -10.659 1.00 0.00 C ATOM 430 CE LYS A 28 12.749 6.603 -10.738 1.00 0.00 C ATOM 431 NZ LYS A 28 14.020 6.140 -10.164 1.00 0.00 N ATOM 0 H LYS A 28 8.354 2.632 -9.117 1.00 0.00 H new ATOM 0 HA LYS A 28 10.451 3.208 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.449 3.344 -9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.309 4.674 -9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.019 6.086 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.159 4.756 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.965 4.669 -11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.762 5.943 -11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.907 6.878 -11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.428 7.504 -10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.755 6.859 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.903 5.983 -9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.303 5.249 -10.620 1.00 0.00 H new ATOM 445 N LYS A 29 8.033 5.449 -7.352 1.00 0.00 N ATOM 446 CA LYS A 29 7.458 6.572 -6.611 1.00 0.00 C ATOM 447 C LYS A 29 7.068 6.139 -5.193 1.00 0.00 C ATOM 448 O LYS A 29 7.415 6.785 -4.206 1.00 0.00 O ATOM 449 CB LYS A 29 6.218 7.116 -7.328 1.00 0.00 C ATOM 450 CG LYS A 29 6.463 7.715 -8.719 1.00 0.00 C ATOM 451 CD LYS A 29 5.174 8.294 -9.326 1.00 0.00 C ATOM 452 CE LYS A 29 4.149 7.207 -9.608 1.00 0.00 C ATOM 453 NZ LYS A 29 2.873 7.731 -10.163 1.00 0.00 N ATOM 0 H LYS A 29 7.476 5.151 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 29 8.214 7.355 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.492 6.308 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.763 7.881 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.216 8.500 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.863 6.947 -9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.747 9.028 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.411 8.820 -10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.575 6.489 -10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.941 6.666 -8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.177 6.960 -10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.507 8.481 -9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.041 8.119 -11.113 1.00 0.00 H new ATOM 467 N PHE A 30 6.364 5.032 -5.115 1.00 0.00 N ATOM 468 CA PHE A 30 5.903 4.463 -3.854 1.00 0.00 C ATOM 469 C PHE A 30 7.088 4.096 -2.936 1.00 0.00 C ATOM 470 O PHE A 30 7.064 4.333 -1.729 1.00 0.00 O ATOM 471 CB PHE A 30 4.943 3.275 -4.176 1.00 0.00 C ATOM 472 CG PHE A 30 5.100 2.002 -3.388 1.00 0.00 C ATOM 473 CD1 PHE A 30 5.943 1.010 -3.850 1.00 0.00 C ATOM 474 CD2 PHE A 30 4.386 1.778 -2.221 1.00 0.00 C ATOM 475 CE1 PHE A 30 6.083 -0.178 -3.171 1.00 0.00 C ATOM 476 CE2 PHE A 30 4.525 0.589 -1.532 1.00 0.00 C ATOM 477 CZ PHE A 30 5.374 -0.391 -2.011 1.00 0.00 C ATOM 0 H PHE A 30 6.088 4.489 -5.933 1.00 0.00 H new ATOM 0 HA PHE A 30 5.338 5.197 -3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.920 3.627 -4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.059 3.030 -5.232 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.502 1.170 -4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.716 2.539 -1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.748 -0.942 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.971 0.425 -0.620 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.481 -1.323 -1.475 1.00 0.00 H new ATOM 487 N LYS A 31 8.130 3.591 -3.539 1.00 0.00 N ATOM 488 CA LYS A 31 9.338 3.188 -2.851 1.00 0.00 C ATOM 489 C LYS A 31 10.082 4.395 -2.266 1.00 0.00 C ATOM 490 O LYS A 31 10.540 4.350 -1.117 1.00 0.00 O ATOM 491 CB LYS A 31 10.214 2.407 -3.836 1.00 0.00 C ATOM 492 CG LYS A 31 11.584 1.978 -3.353 1.00 0.00 C ATOM 493 CD LYS A 31 12.275 1.101 -4.407 1.00 0.00 C ATOM 494 CE LYS A 31 12.524 1.830 -5.728 1.00 0.00 C ATOM 495 NZ LYS A 31 13.542 2.887 -5.610 1.00 0.00 N ATOM 0 H LYS A 31 8.169 3.443 -4.547 1.00 0.00 H new ATOM 0 HA LYS A 31 9.083 2.550 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.668 1.514 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.346 3.018 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.195 2.857 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.490 1.427 -2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.227 0.748 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.662 0.220 -4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.840 1.109 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.590 2.269 -6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.869 3.162 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.130 3.714 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.347 2.533 -5.055 1.00 0.00 H new ATOM 509 N LEU A 32 10.171 5.479 -3.024 1.00 0.00 N ATOM 510 CA LEU A 32 10.878 6.661 -2.543 1.00 0.00 C ATOM 511 C LEU A 32 10.090 7.354 -1.440 1.00 0.00 C ATOM 512 O LEU A 32 10.658 8.047 -0.593 1.00 0.00 O ATOM 513 CB LEU A 32 11.255 7.632 -3.705 1.00 0.00 C ATOM 514 CG LEU A 32 10.116 8.337 -4.488 1.00 0.00 C ATOM 515 CD1 LEU A 32 9.569 9.557 -3.750 1.00 0.00 C ATOM 516 CD2 LEU A 32 10.578 8.711 -5.884 1.00 0.00 C ATOM 0 H LEU A 32 9.771 5.567 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 32 11.821 6.330 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.900 8.407 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.852 7.071 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 32 9.295 7.624 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.775 10.014 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.171 9.249 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.370 10.280 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.765 9.204 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.430 9.387 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.872 7.811 -6.424 1.00 0.00 H new ATOM 528 N TYR A 33 8.791 7.139 -1.429 1.00 0.00 N ATOM 529 CA TYR A 33 7.959 7.772 -0.451 1.00 0.00 C ATOM 530 C TYR A 33 8.061 7.086 0.915 1.00 0.00 C ATOM 531 O TYR A 33 7.890 7.729 1.935 1.00 0.00 O ATOM 532 CB TYR A 33 6.488 7.854 -0.911 1.00 0.00 C ATOM 533 CG TYR A 33 5.615 8.624 0.067 1.00 0.00 C ATOM 534 CD1 TYR A 33 5.498 9.999 -0.023 1.00 0.00 C ATOM 535 CD2 TYR A 33 4.955 7.977 1.111 1.00 0.00 C ATOM 536 CE1 TYR A 33 4.754 10.711 0.896 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.205 8.673 2.026 1.00 0.00 C ATOM 538 CZ TYR A 33 4.107 10.043 1.918 1.00 0.00 C ATOM 539 OH TYR A 33 3.390 10.758 2.856 1.00 0.00 O ATOM 0 H TYR A 33 8.299 6.533 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 33 8.331 8.791 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.443 8.333 -1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.091 6.846 -1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.996 10.524 -0.825 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.036 6.904 1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.678 11.785 0.817 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.696 8.151 2.823 1.00 0.00 H new ATOM 0 HH TYR A 33 3.958 10.940 3.633 1.00 0.00 H new ATOM 549 N LEU A 34 8.350 5.803 0.944 1.00 0.00 N ATOM 550 CA LEU A 34 8.353 5.114 2.226 1.00 0.00 C ATOM 551 C LEU A 34 9.686 4.483 2.619 1.00 0.00 C ATOM 552 O LEU A 34 9.976 4.326 3.807 1.00 0.00 O ATOM 553 CB LEU A 34 7.179 4.112 2.303 1.00 0.00 C ATOM 554 CG LEU A 34 7.041 3.037 1.199 1.00 0.00 C ATOM 555 CD1 LEU A 34 8.091 1.939 1.302 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.651 2.447 1.231 1.00 0.00 C ATOM 0 H LEU A 34 8.578 5.230 0.132 1.00 0.00 H new ATOM 0 HA LEU A 34 8.206 5.887 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.249 3.595 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.254 4.688 2.319 1.00 0.00 H new ATOM 0 HG LEU A 34 7.210 3.533 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.941 1.216 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.085 2.377 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.999 1.437 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.559 1.691 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.472 1.989 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.917 3.235 1.060 1.00 0.00 H new ATOM 568 N GLY A 35 10.507 4.157 1.652 1.00 0.00 N ATOM 569 CA GLY A 35 11.696 3.419 1.964 1.00 0.00 C ATOM 570 C GLY A 35 12.869 4.276 2.393 1.00 0.00 C ATOM 571 O GLY A 35 13.547 3.956 3.361 1.00 0.00 O ATOM 0 H GLY A 35 10.376 4.386 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.470 2.709 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.987 2.837 1.090 1.00 0.00 H new ATOM 575 N THR A 36 13.091 5.357 1.689 1.00 0.00 N ATOM 576 CA THR A 36 14.226 6.239 1.949 1.00 0.00 C ATOM 577 C THR A 36 13.700 7.604 2.427 1.00 0.00 C ATOM 578 O THR A 36 14.402 8.624 2.401 1.00 0.00 O ATOM 579 CB THR A 36 15.100 6.380 0.640 1.00 0.00 C ATOM 580 OG1 THR A 36 16.236 7.237 0.842 1.00 0.00 O ATOM 581 CG2 THR A 36 14.269 6.899 -0.535 1.00 0.00 C ATOM 0 H THR A 36 12.497 5.660 0.917 1.00 0.00 H new ATOM 0 HA THR A 36 14.861 5.821 2.730 1.00 0.00 H new ATOM 0 HB THR A 36 15.462 5.380 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.985 7.980 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.902 6.984 -1.419 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.453 6.205 -0.738 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.859 7.878 -0.287 1.00 0.00 H new ATOM 589 N ALA A 37 12.483 7.583 2.919 1.00 0.00 N ATOM 590 CA ALA A 37 11.784 8.777 3.327 1.00 0.00 C ATOM 591 C ALA A 37 12.240 9.288 4.670 1.00 0.00 C ATOM 592 O ALA A 37 12.353 8.533 5.643 1.00 0.00 O ATOM 593 CB ALA A 37 10.326 8.505 3.391 1.00 0.00 C ATOM 0 H ALA A 37 11.945 6.726 3.048 1.00 0.00 H new ATOM 0 HA ALA A 37 12.006 9.543 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.800 9.409 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.970 8.196 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.135 7.710 4.112 1.00 0.00 H new ATOM 599 N THR A 38 12.416 10.575 4.732 1.00 0.00 N ATOM 600 CA THR A 38 12.840 11.257 5.914 1.00 0.00 C ATOM 601 C THR A 38 11.690 11.303 6.930 1.00 0.00 C ATOM 602 O THR A 38 11.905 11.329 8.142 1.00 0.00 O ATOM 603 CB THR A 38 13.297 12.675 5.532 1.00 0.00 C ATOM 604 OG1 THR A 38 14.235 12.569 4.442 1.00 0.00 O ATOM 605 CG2 THR A 38 13.974 13.373 6.700 1.00 0.00 C ATOM 0 H THR A 38 12.263 11.195 3.937 1.00 0.00 H new ATOM 0 HA THR A 38 13.674 10.728 6.375 1.00 0.00 H new ATOM 0 HB THR A 38 12.424 13.261 5.247 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.537 13.464 4.182 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.285 14.373 6.396 1.00 0.00 H new ATOM 0 HG22 THR A 38 13.276 13.448 7.534 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.848 12.800 7.009 1.00 0.00 H new ATOM 613 N GLU A 39 10.470 11.233 6.423 1.00 0.00 N ATOM 614 CA GLU A 39 9.271 11.261 7.268 1.00 0.00 C ATOM 615 C GLU A 39 9.019 9.912 7.967 1.00 0.00 C ATOM 616 O GLU A 39 8.066 9.750 8.734 1.00 0.00 O ATOM 617 CB GLU A 39 8.039 11.735 6.494 1.00 0.00 C ATOM 618 CG GLU A 39 7.646 10.899 5.294 1.00 0.00 C ATOM 619 CD GLU A 39 6.416 11.452 4.629 1.00 0.00 C ATOM 620 OE1 GLU A 39 5.284 11.123 5.069 1.00 0.00 O ATOM 621 OE2 GLU A 39 6.552 12.259 3.685 1.00 0.00 O ATOM 0 H GLU A 39 10.276 11.156 5.425 1.00 0.00 H new ATOM 0 HA GLU A 39 9.460 11.993 8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.194 11.768 7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.217 12.756 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.469 10.873 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.463 9.871 5.607 1.00 0.00 H new ATOM 628 N LEU A 40 9.882 8.962 7.698 1.00 0.00 N ATOM 629 CA LEU A 40 9.865 7.669 8.352 1.00 0.00 C ATOM 630 C LEU A 40 10.980 7.616 9.377 1.00 0.00 C ATOM 631 O LEU A 40 11.345 6.562 9.876 1.00 0.00 O ATOM 632 CB LEU A 40 10.055 6.554 7.330 1.00 0.00 C ATOM 633 CG LEU A 40 8.784 5.948 6.685 1.00 0.00 C ATOM 634 CD1 LEU A 40 7.934 5.234 7.720 1.00 0.00 C ATOM 635 CD2 LEU A 40 7.949 6.995 5.952 1.00 0.00 C ATOM 0 H LEU A 40 10.628 9.064 7.009 1.00 0.00 H new ATOM 0 HA LEU A 40 8.902 7.530 8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.688 6.936 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.605 5.746 7.813 1.00 0.00 H new ATOM 0 HG LEU A 40 9.126 5.223 5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.048 4.818 7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.512 4.429 8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.630 5.941 8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.069 6.520 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.635 7.767 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.546 7.447 5.160 1.00 0.00 H new ATOM 647 N GLY A 41 11.527 8.767 9.640 1.00 0.00 N ATOM 648 CA GLY A 41 12.624 8.928 10.564 1.00 0.00 C ATOM 649 C GLY A 41 13.913 8.990 9.796 1.00 0.00 C ATOM 650 O GLY A 41 14.631 9.995 9.807 1.00 0.00 O ATOM 0 H GLY A 41 11.221 9.641 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.491 9.838 11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.646 8.097 11.269 1.00 0.00 H new ATOM 654 N GLU A 42 14.177 7.929 9.111 1.00 0.00 N ATOM 655 CA GLU A 42 15.314 7.797 8.240 1.00 0.00 C ATOM 656 C GLU A 42 14.889 6.982 7.043 1.00 0.00 C ATOM 657 O GLU A 42 15.151 7.334 5.894 1.00 0.00 O ATOM 658 CB GLU A 42 16.458 7.079 8.961 1.00 0.00 C ATOM 659 CG GLU A 42 17.633 6.737 8.069 1.00 0.00 C ATOM 660 CD GLU A 42 18.670 5.922 8.774 1.00 0.00 C ATOM 661 OE1 GLU A 42 18.546 4.667 8.802 1.00 0.00 O ATOM 662 OE2 GLU A 42 19.647 6.507 9.300 1.00 0.00 O ATOM 0 H GLU A 42 13.590 7.095 9.138 1.00 0.00 H new ATOM 0 HA GLU A 42 15.663 8.783 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 42 16.808 7.707 9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 42 16.074 6.161 9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 42 17.276 6.189 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 42 18.087 7.658 7.702 1.00 0.00 H new ATOM 669 N GLY A 43 14.239 5.897 7.331 1.00 0.00 N ATOM 670 CA GLY A 43 13.800 5.000 6.331 1.00 0.00 C ATOM 671 C GLY A 43 13.821 3.635 6.905 1.00 0.00 C ATOM 672 O GLY A 43 14.883 3.142 7.296 1.00 0.00 O ATOM 0 H GLY A 43 14.000 5.614 8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.794 5.260 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.448 5.056 5.456 1.00 0.00 H new ATOM 676 N LYS A 44 12.674 3.025 6.991 1.00 0.00 N ATOM 677 CA LYS A 44 12.551 1.737 7.655 1.00 0.00 C ATOM 678 C LYS A 44 12.953 0.592 6.761 1.00 0.00 C ATOM 679 O LYS A 44 13.060 -0.544 7.212 1.00 0.00 O ATOM 680 CB LYS A 44 11.131 1.533 8.184 1.00 0.00 C ATOM 681 CG LYS A 44 10.697 2.581 9.194 1.00 0.00 C ATOM 682 CD LYS A 44 11.628 2.604 10.399 1.00 0.00 C ATOM 683 CE LYS A 44 11.209 3.654 11.405 1.00 0.00 C ATOM 684 NZ LYS A 44 9.860 3.415 11.935 1.00 0.00 N ATOM 0 H LYS A 44 11.801 3.392 6.611 1.00 0.00 H new ATOM 0 HA LYS A 44 13.242 1.746 8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.436 1.541 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.063 0.548 8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.686 3.563 8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.678 2.374 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.632 1.624 10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.648 2.802 10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.923 3.669 12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.243 4.637 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.702 4.018 12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.155 3.642 11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.766 2.416 12.208 1.00 0.00 H new ATOM 698 N ILE A 45 13.200 0.887 5.525 1.00 0.00 N ATOM 699 CA ILE A 45 13.542 -0.129 4.586 1.00 0.00 C ATOM 700 C ILE A 45 15.057 -0.147 4.375 1.00 0.00 C ATOM 701 O ILE A 45 15.665 0.907 4.160 1.00 0.00 O ATOM 702 CB ILE A 45 12.834 0.110 3.241 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.305 0.224 3.421 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.157 -1.013 2.286 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.634 -1.047 3.883 1.00 0.00 C ATOM 0 H ILE A 45 13.170 1.832 5.141 1.00 0.00 H new ATOM 0 HA ILE A 45 13.216 -1.091 4.983 1.00 0.00 H new ATOM 0 HB ILE A 45 13.195 1.053 2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.094 1.014 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.862 0.530 2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.653 -0.839 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.234 -1.054 2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.818 -1.959 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.562 -0.877 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.809 -1.837 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.045 -1.346 4.847 1.00 0.00 H new ATOM 717 N PRO A 46 15.689 -1.327 4.467 1.00 0.00 N ATOM 718 CA PRO A 46 17.122 -1.467 4.258 1.00 0.00 C ATOM 719 C PRO A 46 17.566 -1.168 2.814 1.00 0.00 C ATOM 720 O PRO A 46 17.166 -1.866 1.874 1.00 0.00 O ATOM 721 CB PRO A 46 17.411 -2.932 4.614 1.00 0.00 C ATOM 722 CG PRO A 46 16.106 -3.624 4.461 1.00 0.00 C ATOM 723 CD PRO A 46 15.064 -2.617 4.830 1.00 0.00 C ATOM 0 HA PRO A 46 17.672 -0.749 4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.165 -3.359 3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.791 -3.024 5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.967 -3.974 3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.050 -4.500 5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.135 -2.781 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.821 -2.661 5.892 1.00 0.00 H new ATOM 731 N TRP A 47 18.289 -0.055 2.698 1.00 0.00 N ATOM 732 CA TRP A 47 19.063 0.465 1.540 1.00 0.00 C ATOM 733 C TRP A 47 18.596 0.063 0.132 1.00 0.00 C ATOM 734 O TRP A 47 18.132 0.892 -0.644 1.00 0.00 O ATOM 735 CB TRP A 47 20.542 0.126 1.725 1.00 0.00 C ATOM 736 CG TRP A 47 21.069 0.538 3.066 1.00 0.00 C ATOM 737 CD1 TRP A 47 21.515 1.771 3.430 1.00 0.00 C ATOM 738 CD2 TRP A 47 21.190 -0.293 4.231 1.00 0.00 C ATOM 739 NE1 TRP A 47 21.901 1.758 4.742 1.00 0.00 N ATOM 740 CE2 TRP A 47 21.715 0.502 5.254 1.00 0.00 C ATOM 741 CE3 TRP A 47 20.907 -1.636 4.500 1.00 0.00 C ATOM 742 CZ2 TRP A 47 21.959 0.005 6.531 1.00 0.00 C ATOM 743 CZ3 TRP A 47 21.150 -2.128 5.765 1.00 0.00 C ATOM 744 CH2 TRP A 47 21.673 -1.308 6.766 1.00 0.00 C ATOM 0 H TRP A 47 18.364 0.582 3.491 1.00 0.00 H new ATOM 0 HA TRP A 47 18.878 1.539 1.561 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.683 -0.947 1.599 1.00 0.00 H new ATOM 0 HB3 TRP A 47 21.123 0.618 0.945 1.00 0.00 H new ATOM 0 HD1 TRP A 47 21.558 2.632 2.779 1.00 0.00 H new ATOM 0 HE1 TRP A 47 22.269 2.558 5.257 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.505 -2.277 3.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 22.361 0.637 7.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.932 -3.163 5.984 1.00 0.00 H new ATOM 0 HH2 TRP A 47 21.855 -1.722 7.747 1.00 0.00 H new ATOM 755 N GLY A 48 18.739 -1.187 -0.193 1.00 0.00 N ATOM 756 CA GLY A 48 18.465 -1.629 -1.536 1.00 0.00 C ATOM 757 C GLY A 48 17.650 -2.898 -1.606 1.00 0.00 C ATOM 758 O GLY A 48 17.592 -3.545 -2.657 1.00 0.00 O ATOM 0 H GLY A 48 19.043 -1.920 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.935 -0.838 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.410 -1.786 -2.057 1.00 0.00 H new ATOM 762 N SER A 49 17.002 -3.250 -0.517 1.00 0.00 N ATOM 763 CA SER A 49 16.192 -4.454 -0.466 1.00 0.00 C ATOM 764 C SER A 49 14.981 -4.316 -1.411 1.00 0.00 C ATOM 765 O SER A 49 14.602 -5.257 -2.109 1.00 0.00 O ATOM 766 CB SER A 49 15.755 -4.722 0.985 1.00 0.00 C ATOM 767 OG SER A 49 15.061 -5.946 1.118 1.00 0.00 O ATOM 0 H SER A 49 17.019 -2.717 0.353 1.00 0.00 H new ATOM 0 HA SER A 49 16.779 -5.308 -0.804 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.633 -4.733 1.631 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.118 -3.906 1.327 1.00 0.00 H new ATOM 0 HG SER A 49 14.804 -6.076 2.055 1.00 0.00 H new ATOM 773 N MET A 50 14.444 -3.114 -1.488 1.00 0.00 N ATOM 774 CA MET A 50 13.290 -2.832 -2.344 1.00 0.00 C ATOM 775 C MET A 50 13.691 -2.512 -3.769 1.00 0.00 C ATOM 776 O MET A 50 12.857 -2.438 -4.657 1.00 0.00 O ATOM 777 CB MET A 50 12.394 -1.733 -1.763 1.00 0.00 C ATOM 778 CG MET A 50 13.116 -0.631 -1.006 1.00 0.00 C ATOM 779 SD MET A 50 14.422 0.201 -1.922 1.00 0.00 S ATOM 780 CE MET A 50 14.958 1.387 -0.690 1.00 0.00 C ATOM 0 H MET A 50 14.786 -2.306 -0.967 1.00 0.00 H new ATOM 0 HA MET A 50 12.705 -3.751 -2.373 1.00 0.00 H new ATOM 0 HB2 MET A 50 11.830 -1.280 -2.578 1.00 0.00 H new ATOM 0 HB3 MET A 50 11.670 -2.196 -1.093 1.00 0.00 H new ATOM 0 HG2 MET A 50 12.383 0.113 -0.693 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.545 -1.057 -0.099 1.00 0.00 H new ATOM 0 HE1 MET A 50 15.770 1.991 -1.095 1.00 0.00 H new ATOM 0 HE2 MET A 50 14.124 2.035 -0.421 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.307 0.858 0.197 1.00 0.00 H new ATOM 790 N GLU A 51 14.966 -2.351 -3.982 1.00 0.00 N ATOM 791 CA GLU A 51 15.496 -2.059 -5.296 1.00 0.00 C ATOM 792 C GLU A 51 15.402 -3.267 -6.194 1.00 0.00 C ATOM 793 O GLU A 51 15.295 -3.157 -7.410 1.00 0.00 O ATOM 794 CB GLU A 51 16.938 -1.668 -5.173 1.00 0.00 C ATOM 795 CG GLU A 51 17.177 -0.265 -4.654 1.00 0.00 C ATOM 796 CD GLU A 51 16.607 0.781 -5.571 1.00 0.00 C ATOM 797 OE1 GLU A 51 16.962 0.794 -6.769 1.00 0.00 O ATOM 798 OE2 GLU A 51 15.826 1.624 -5.128 1.00 0.00 O ATOM 0 H GLU A 51 15.674 -2.417 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 51 14.912 -1.246 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.436 -2.375 -4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.410 -1.763 -6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.729 -0.163 -3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.248 -0.100 -4.537 1.00 0.00 H new ATOM 805 N LYS A 52 15.490 -4.404 -5.585 1.00 0.00 N ATOM 806 CA LYS A 52 15.445 -5.668 -6.282 1.00 0.00 C ATOM 807 C LYS A 52 14.124 -6.371 -5.966 1.00 0.00 C ATOM 808 O LYS A 52 14.009 -7.592 -6.098 1.00 0.00 O ATOM 809 CB LYS A 52 16.617 -6.537 -5.804 1.00 0.00 C ATOM 810 CG LYS A 52 18.028 -5.909 -5.876 1.00 0.00 C ATOM 811 CD LYS A 52 18.640 -5.842 -7.289 1.00 0.00 C ATOM 812 CE LYS A 52 18.008 -4.803 -8.208 1.00 0.00 C ATOM 813 NZ LYS A 52 18.713 -4.728 -9.498 1.00 0.00 N ATOM 0 H LYS A 52 15.597 -4.493 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 52 15.519 -5.506 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.426 -6.825 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.623 -7.453 -6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.981 -4.899 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.697 -6.481 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.705 -5.628 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.550 -6.823 -7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.961 -5.054 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.027 -3.827 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.259 -4.012 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.706 -4.465 -9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.673 -5.654 -9.970 1.00 0.00 H new ATOM 827 N ALA A 53 13.132 -5.594 -5.588 1.00 0.00 N ATOM 828 CA ALA A 53 11.858 -6.141 -5.167 1.00 0.00 C ATOM 829 C ALA A 53 10.736 -5.803 -6.143 1.00 0.00 C ATOM 830 O ALA A 53 10.729 -4.731 -6.759 1.00 0.00 O ATOM 831 CB ALA A 53 11.512 -5.632 -3.777 1.00 0.00 C ATOM 0 H ALA A 53 13.183 -4.576 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 53 11.956 -7.226 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.553 -6.047 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.286 -5.940 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.449 -4.544 -3.793 1.00 0.00 H new ATOM 837 N GLY A 54 9.788 -6.714 -6.265 1.00 0.00 N ATOM 838 CA GLY A 54 8.643 -6.523 -7.108 1.00 0.00 C ATOM 839 C GLY A 54 7.395 -6.511 -6.257 1.00 0.00 C ATOM 840 O GLY A 54 7.521 -6.511 -5.045 1.00 0.00 O ATOM 0 H GLY A 54 9.799 -7.609 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.733 -5.585 -7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.585 -7.321 -7.849 1.00 0.00 H new ATOM 844 N PRO A 55 6.182 -6.583 -6.845 1.00 0.00 N ATOM 845 CA PRO A 55 4.907 -6.438 -6.103 1.00 0.00 C ATOM 846 C PRO A 55 4.777 -7.388 -4.904 1.00 0.00 C ATOM 847 O PRO A 55 4.442 -6.968 -3.794 1.00 0.00 O ATOM 848 CB PRO A 55 3.823 -6.742 -7.147 1.00 0.00 C ATOM 849 CG PRO A 55 4.534 -7.331 -8.321 1.00 0.00 C ATOM 850 CD PRO A 55 5.948 -6.829 -8.271 1.00 0.00 C ATOM 0 HA PRO A 55 4.831 -5.442 -5.668 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.083 -7.437 -6.750 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.288 -5.835 -7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.509 -8.420 -8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.052 -7.035 -9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.647 -7.563 -8.670 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.071 -5.920 -8.859 1.00 0.00 H new ATOM 858 N LEU A 56 5.101 -8.644 -5.123 1.00 0.00 N ATOM 859 CA LEU A 56 4.982 -9.656 -4.066 1.00 0.00 C ATOM 860 C LEU A 56 6.084 -9.507 -3.038 1.00 0.00 C ATOM 861 O LEU A 56 5.878 -9.752 -1.857 1.00 0.00 O ATOM 862 CB LEU A 56 4.932 -11.112 -4.614 1.00 0.00 C ATOM 863 CG LEU A 56 6.201 -11.715 -5.267 1.00 0.00 C ATOM 864 CD1 LEU A 56 5.990 -13.194 -5.533 1.00 0.00 C ATOM 865 CD2 LEU A 56 6.561 -11.020 -6.570 1.00 0.00 C ATOM 0 H LEU A 56 5.448 -8.999 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 56 4.023 -9.474 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.646 -11.764 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.130 -11.159 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 56 7.025 -11.569 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.886 -13.612 -5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.790 -13.708 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.142 -13.325 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.457 -11.477 -6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.737 -11.121 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.748 -9.963 -6.379 1.00 0.00 H new ATOM 877 N GLU A 57 7.236 -9.058 -3.475 1.00 0.00 N ATOM 878 CA GLU A 57 8.357 -8.877 -2.578 1.00 0.00 C ATOM 879 C GLU A 57 8.136 -7.636 -1.727 1.00 0.00 C ATOM 880 O GLU A 57 8.457 -7.621 -0.546 1.00 0.00 O ATOM 881 CB GLU A 57 9.661 -8.795 -3.352 1.00 0.00 C ATOM 882 CG GLU A 57 9.941 -10.026 -4.199 1.00 0.00 C ATOM 883 CD GLU A 57 9.969 -11.299 -3.380 1.00 0.00 C ATOM 884 OE1 GLU A 57 10.971 -11.557 -2.709 1.00 0.00 O ATOM 885 OE2 GLU A 57 8.981 -12.063 -3.406 1.00 0.00 O ATOM 0 H GLU A 57 7.424 -8.810 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 57 8.428 -9.741 -1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.637 -7.917 -3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.483 -8.652 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.178 -10.112 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.897 -9.904 -4.707 1.00 0.00 H new ATOM 892 N MET A 58 7.548 -6.616 -2.340 1.00 0.00 N ATOM 893 CA MET A 58 7.169 -5.382 -1.651 1.00 0.00 C ATOM 894 C MET A 58 6.147 -5.693 -0.588 1.00 0.00 C ATOM 895 O MET A 58 6.277 -5.259 0.531 1.00 0.00 O ATOM 896 CB MET A 58 6.605 -4.360 -2.637 1.00 0.00 C ATOM 897 CG MET A 58 7.635 -3.781 -3.595 1.00 0.00 C ATOM 898 SD MET A 58 8.759 -2.609 -2.837 1.00 0.00 S ATOM 899 CE MET A 58 9.616 -2.027 -4.302 1.00 0.00 C ATOM 0 H MET A 58 7.318 -6.619 -3.334 1.00 0.00 H new ATOM 0 HA MET A 58 8.057 -4.953 -1.188 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.811 -4.831 -3.217 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.149 -3.544 -2.076 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.214 -4.598 -4.026 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.115 -3.290 -4.418 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.072 -1.059 -4.096 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.391 -2.742 -4.578 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.906 -1.927 -5.123 1.00 0.00 H new ATOM 909 N ALA A 59 5.159 -6.494 -0.939 1.00 0.00 N ATOM 910 CA ALA A 59 4.134 -6.930 0.005 1.00 0.00 C ATOM 911 C ALA A 59 4.790 -7.521 1.264 1.00 0.00 C ATOM 912 O ALA A 59 4.495 -7.123 2.393 1.00 0.00 O ATOM 913 CB ALA A 59 3.254 -7.983 -0.661 1.00 0.00 C ATOM 0 H ALA A 59 5.040 -6.863 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 59 3.525 -6.074 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.487 -8.312 0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.779 -7.555 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.866 -8.835 -0.955 1.00 0.00 H new ATOM 919 N GLN A 60 5.752 -8.392 1.046 1.00 0.00 N ATOM 920 CA GLN A 60 6.439 -9.088 2.128 1.00 0.00 C ATOM 921 C GLN A 60 7.484 -8.183 2.802 1.00 0.00 C ATOM 922 O GLN A 60 8.052 -8.520 3.850 1.00 0.00 O ATOM 923 CB GLN A 60 7.072 -10.364 1.584 1.00 0.00 C ATOM 924 CG GLN A 60 6.064 -11.228 0.846 1.00 0.00 C ATOM 925 CD GLN A 60 6.658 -12.478 0.228 1.00 0.00 C ATOM 926 OE1 GLN A 60 6.700 -13.546 0.846 1.00 0.00 O ATOM 927 NE2 GLN A 60 7.095 -12.367 -0.994 1.00 0.00 N ATOM 0 H GLN A 60 6.085 -8.642 0.115 1.00 0.00 H new ATOM 0 HA GLN A 60 5.713 -9.354 2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.889 -10.105 0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.505 -10.934 2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.274 -11.518 1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.597 -10.633 0.061 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.044 -11.468 -1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.488 -13.179 -1.471 1.00 0.00 H new ATOM 936 N LEU A 61 7.711 -7.036 2.213 1.00 0.00 N ATOM 937 CA LEU A 61 8.640 -6.049 2.720 1.00 0.00 C ATOM 938 C LEU A 61 7.929 -5.235 3.788 1.00 0.00 C ATOM 939 O LEU A 61 8.298 -5.275 4.976 1.00 0.00 O ATOM 940 CB LEU A 61 9.061 -5.116 1.582 1.00 0.00 C ATOM 941 CG LEU A 61 10.212 -4.167 1.834 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.526 -4.917 1.851 1.00 0.00 C ATOM 943 CD2 LEU A 61 10.220 -3.080 0.784 1.00 0.00 C ATOM 0 H LEU A 61 7.247 -6.753 1.350 1.00 0.00 H new ATOM 0 HA LEU A 61 9.522 -6.538 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.319 -5.733 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.193 -4.521 1.299 1.00 0.00 H new ATOM 0 HG LEU A 61 10.082 -3.703 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.342 -4.218 2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.507 -5.667 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.677 -5.408 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.051 -2.400 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.333 -3.528 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.282 -2.527 0.826 1.00 0.00 H new ATOM 955 N LEU A 62 6.852 -4.548 3.373 1.00 0.00 N ATOM 956 CA LEU A 62 6.096 -3.694 4.268 1.00 0.00 C ATOM 957 C LEU A 62 5.494 -4.494 5.417 1.00 0.00 C ATOM 958 O LEU A 62 5.455 -4.018 6.553 1.00 0.00 O ATOM 959 CB LEU A 62 4.968 -2.891 3.552 1.00 0.00 C ATOM 960 CG LEU A 62 5.345 -1.860 2.460 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.498 -0.984 2.865 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.583 -2.497 1.125 1.00 0.00 C ATOM 0 H LEU A 62 6.494 -4.576 2.418 1.00 0.00 H new ATOM 0 HA LEU A 62 6.815 -2.973 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.289 -3.614 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.404 -2.362 4.321 1.00 0.00 H new ATOM 0 HG LEU A 62 4.475 -1.212 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.720 -0.280 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.237 -0.433 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.375 -1.602 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.844 -1.729 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.400 -3.214 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.679 -3.012 0.801 1.00 0.00 H new ATOM 974 N ILE A 63 5.064 -5.725 5.132 1.00 0.00 N ATOM 975 CA ILE A 63 4.411 -6.562 6.138 1.00 0.00 C ATOM 976 C ILE A 63 5.392 -6.892 7.292 1.00 0.00 C ATOM 977 O ILE A 63 5.000 -6.985 8.453 1.00 0.00 O ATOM 978 CB ILE A 63 3.828 -7.868 5.463 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.517 -8.330 6.128 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.847 -9.018 5.427 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.641 -8.860 7.540 1.00 0.00 C ATOM 0 H ILE A 63 5.156 -6.162 4.215 1.00 0.00 H new ATOM 0 HA ILE A 63 3.576 -6.014 6.573 1.00 0.00 H new ATOM 0 HB ILE A 63 3.605 -7.594 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.821 -7.491 6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.072 -9.107 5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.395 -9.890 4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.724 -8.710 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.146 -9.271 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.657 -9.155 7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.305 -9.724 7.547 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.050 -8.083 8.186 1.00 0.00 H new ATOM 993 N THR A 64 6.659 -6.975 6.972 1.00 0.00 N ATOM 994 CA THR A 64 7.648 -7.352 7.934 1.00 0.00 C ATOM 995 C THR A 64 8.091 -6.161 8.795 1.00 0.00 C ATOM 996 O THR A 64 8.202 -6.281 10.020 1.00 0.00 O ATOM 997 CB THR A 64 8.842 -8.024 7.226 1.00 0.00 C ATOM 998 OG1 THR A 64 8.340 -9.156 6.488 1.00 0.00 O ATOM 999 CG2 THR A 64 9.892 -8.506 8.227 1.00 0.00 C ATOM 0 H THR A 64 7.027 -6.783 6.040 1.00 0.00 H new ATOM 0 HA THR A 64 7.203 -8.075 8.618 1.00 0.00 H new ATOM 0 HB THR A 64 9.318 -7.297 6.568 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.255 -8.918 5.541 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.718 -8.974 7.691 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.266 -7.657 8.800 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.442 -9.231 8.905 1.00 0.00 H new ATOM 1007 N HIS A 65 8.277 -5.015 8.180 1.00 0.00 N ATOM 1008 CA HIS A 65 8.746 -3.849 8.922 1.00 0.00 C ATOM 1009 C HIS A 65 7.609 -3.140 9.647 1.00 0.00 C ATOM 1010 O HIS A 65 7.742 -2.753 10.801 1.00 0.00 O ATOM 1011 CB HIS A 65 9.509 -2.864 8.018 1.00 0.00 C ATOM 1012 CG HIS A 65 10.779 -3.419 7.444 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.980 -3.437 8.112 1.00 0.00 N ATOM 1014 CD2 HIS A 65 11.018 -3.990 6.237 1.00 0.00 C ATOM 1015 CE1 HIS A 65 12.887 -3.993 7.319 1.00 0.00 C ATOM 1016 NE2 HIS A 65 12.357 -4.354 6.161 1.00 0.00 N ATOM 0 H HIS A 65 8.116 -4.858 7.185 1.00 0.00 H new ATOM 0 HA HIS A 65 9.441 -4.221 9.675 1.00 0.00 H new ATOM 0 HB2 HIS A 65 8.857 -2.558 7.200 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.743 -1.967 8.592 1.00 0.00 H new ATOM 0 HD2 HIS A 65 10.284 -4.138 5.459 1.00 0.00 H new ATOM 0 HE1 HIS A 65 13.924 -4.133 7.584 1.00 0.00 H new ATOM 0 HE2 HIS A 65 12.831 -4.804 5.378 1.00 0.00 H new ATOM 1024 N PHE A 66 6.511 -2.960 8.970 1.00 0.00 N ATOM 1025 CA PHE A 66 5.370 -2.260 9.532 1.00 0.00 C ATOM 1026 C PHE A 66 4.421 -3.187 10.276 1.00 0.00 C ATOM 1027 O PHE A 66 4.229 -3.056 11.488 1.00 0.00 O ATOM 1028 CB PHE A 66 4.656 -1.502 8.415 1.00 0.00 C ATOM 1029 CG PHE A 66 5.589 -0.556 7.747 1.00 0.00 C ATOM 1030 CD1 PHE A 66 5.814 0.694 8.271 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.295 -0.950 6.635 1.00 0.00 C ATOM 1032 CE1 PHE A 66 6.729 1.538 7.682 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.213 -0.132 6.054 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.431 1.112 6.571 1.00 0.00 C ATOM 0 H PHE A 66 6.372 -3.290 8.015 1.00 0.00 H new ATOM 0 HA PHE A 66 5.733 -1.554 10.279 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.260 -2.207 7.685 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.806 -0.956 8.824 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.272 1.016 9.148 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.117 -1.929 6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.897 2.526 8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.766 -0.465 5.188 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.156 1.766 6.110 1.00 0.00 H new ATOM 1044 N GLY A 67 3.855 -4.109 9.571 1.00 0.00 N ATOM 1045 CA GLY A 67 2.879 -5.007 10.132 1.00 0.00 C ATOM 1046 C GLY A 67 1.891 -5.314 9.068 1.00 0.00 C ATOM 1047 O GLY A 67 2.010 -4.742 8.020 1.00 0.00 O ATOM 0 H GLY A 67 4.052 -4.269 8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.357 -5.920 10.486 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.388 -4.551 10.991 1.00 0.00 H new ATOM 1051 N PRO A 68 0.913 -6.189 9.273 1.00 0.00 N ATOM 1052 CA PRO A 68 -0.056 -6.515 8.225 1.00 0.00 C ATOM 1053 C PRO A 68 -0.965 -5.335 7.873 1.00 0.00 C ATOM 1054 O PRO A 68 -0.994 -4.885 6.720 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.861 -7.679 8.794 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.144 -8.108 10.037 1.00 0.00 C ATOM 1057 CD PRO A 68 0.668 -6.939 10.506 1.00 0.00 C ATOM 0 HA PRO A 68 0.445 -6.766 7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.883 -7.374 9.019 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.923 -8.498 8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.855 -8.415 10.804 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.498 -8.966 9.835 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.128 -6.342 11.241 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.599 -7.257 10.976 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.669 -4.812 8.868 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.570 -3.675 8.660 1.00 0.00 C ATOM 1067 C GLU A 69 -1.776 -2.442 8.278 1.00 0.00 C ATOM 1068 O GLU A 69 -2.170 -1.663 7.397 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.380 -3.335 9.911 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.129 -4.488 10.523 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.253 -5.320 11.419 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.922 -4.861 12.536 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -2.856 -6.422 11.030 1.00 0.00 O ATOM 0 H GLU A 69 -1.637 -5.153 9.829 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.254 -3.968 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.705 -2.923 10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.094 -2.551 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.975 -4.107 11.096 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.537 -5.116 9.731 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.643 -2.277 8.943 1.00 0.00 N ATOM 1081 CA GLU A 70 0.206 -1.135 8.735 1.00 0.00 C ATOM 1082 C GLU A 70 0.808 -1.165 7.336 1.00 0.00 C ATOM 1083 O GLU A 70 0.910 -0.141 6.698 1.00 0.00 O ATOM 1084 CB GLU A 70 1.284 -1.070 9.801 1.00 0.00 C ATOM 1085 CG GLU A 70 1.935 0.301 9.913 1.00 0.00 C ATOM 1086 CD GLU A 70 0.930 1.376 10.277 1.00 0.00 C ATOM 1087 OE1 GLU A 70 0.397 1.341 11.399 1.00 0.00 O ATOM 1088 OE2 GLU A 70 0.641 2.262 9.452 1.00 0.00 O ATOM 0 H GLU A 70 -0.294 -2.936 9.640 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.398 -0.231 8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.850 -1.339 10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.051 -1.812 9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.721 0.269 10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.411 0.555 8.966 1.00 0.00 H new ATOM 1095 N ALA A 71 1.196 -2.352 6.865 1.00 0.00 N ATOM 1096 CA ALA A 71 1.695 -2.523 5.490 1.00 0.00 C ATOM 1097 C ALA A 71 0.658 -2.090 4.499 1.00 0.00 C ATOM 1098 O ALA A 71 0.966 -1.399 3.538 1.00 0.00 O ATOM 1099 CB ALA A 71 2.050 -3.961 5.202 1.00 0.00 C ATOM 0 H ALA A 71 1.176 -3.212 7.412 1.00 0.00 H new ATOM 0 HA ALA A 71 2.590 -1.907 5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.414 -4.048 4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.827 -4.289 5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.166 -4.586 5.327 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.575 -2.496 4.739 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.663 -2.139 3.871 1.00 0.00 C ATOM 1107 C TRP A 72 -1.869 -0.632 3.851 1.00 0.00 C ATOM 1108 O TRP A 72 -2.029 -0.023 2.782 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.950 -2.900 4.238 1.00 0.00 C ATOM 1110 CG TRP A 72 -4.139 -2.499 3.416 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.381 -2.192 3.875 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.179 -2.311 1.992 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.196 -1.865 2.824 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.470 -1.912 1.665 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.238 -2.439 0.968 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.847 -1.648 0.371 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.612 -2.177 -0.318 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -4.910 -1.779 -0.609 1.00 0.00 C ATOM 0 H TRP A 72 -0.841 -3.076 5.535 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.401 -2.442 2.857 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.778 -3.969 4.115 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.174 -2.732 5.292 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.680 -2.204 4.913 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -7.185 -1.625 2.894 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.226 -2.742 1.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.857 -1.345 0.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.892 -2.280 -1.116 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.182 -1.569 -1.633 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.814 -0.038 5.003 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.954 1.382 5.114 1.00 0.00 C ATOM 1131 C ARG A 73 -0.761 2.101 4.452 1.00 0.00 C ATOM 1132 O ARG A 73 -0.944 3.078 3.736 1.00 0.00 O ATOM 1133 CB ARG A 73 -2.171 1.765 6.572 1.00 0.00 C ATOM 1134 CG ARG A 73 -2.240 3.246 6.849 1.00 0.00 C ATOM 1135 CD ARG A 73 -2.863 3.502 8.209 1.00 0.00 C ATOM 1136 NE ARG A 73 -2.237 2.710 9.289 1.00 0.00 N ATOM 1137 CZ ARG A 73 -2.930 2.031 10.224 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -4.263 1.909 10.128 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -2.290 1.416 11.213 1.00 0.00 N ATOM 0 H ARG A 73 -1.671 -0.521 5.890 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.837 1.715 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.097 1.305 6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.363 1.339 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.239 3.676 6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.827 3.740 6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.778 4.562 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.927 3.269 8.165 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.218 2.675 9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.759 2.332 9.343 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.781 1.393 10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.272 1.457 11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.817 0.903 11.920 1.00 0.00 H new ATOM 1153 N LEU A 74 0.436 1.553 4.639 1.00 0.00 N ATOM 1154 CA LEU A 74 1.665 2.061 4.004 1.00 0.00 C ATOM 1155 C LEU A 74 1.603 1.922 2.487 1.00 0.00 C ATOM 1156 O LEU A 74 2.297 2.617 1.772 1.00 0.00 O ATOM 1157 CB LEU A 74 2.914 1.328 4.544 1.00 0.00 C ATOM 1158 CG LEU A 74 3.811 2.088 5.545 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.583 3.213 4.856 1.00 0.00 C ATOM 1160 CD2 LEU A 74 3.000 2.638 6.710 1.00 0.00 C ATOM 0 H LEU A 74 0.590 0.741 5.236 1.00 0.00 H new ATOM 0 HA LEU A 74 1.742 3.119 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.582 0.407 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.530 1.041 3.692 1.00 0.00 H new ATOM 0 HG LEU A 74 4.531 1.372 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.205 3.729 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.215 2.794 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.880 3.920 4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.661 3.167 7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.242 3.325 6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.515 1.816 7.236 1.00 0.00 H new ATOM 1172 N ALA A 75 0.799 1.011 2.004 1.00 0.00 N ATOM 1173 CA ALA A 75 0.631 0.868 0.588 1.00 0.00 C ATOM 1174 C ALA A 75 -0.428 1.831 0.087 1.00 0.00 C ATOM 1175 O ALA A 75 -0.128 2.709 -0.725 1.00 0.00 O ATOM 1176 CB ALA A 75 0.293 -0.565 0.200 1.00 0.00 C ATOM 0 H ALA A 75 0.254 0.361 2.570 1.00 0.00 H new ATOM 0 HA ALA A 75 1.581 1.112 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.174 -0.631 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.098 -1.227 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.636 -0.864 0.686 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.651 1.726 0.626 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.773 2.524 0.130 1.00 0.00 C ATOM 1184 C LEU A 76 -2.515 4.015 0.299 1.00 0.00 C ATOM 1185 O LEU A 76 -2.683 4.793 -0.641 1.00 0.00 O ATOM 1186 CB LEU A 76 -4.152 2.064 0.722 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.495 2.401 2.197 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -5.072 3.799 2.331 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.459 1.400 2.773 1.00 0.00 C ATOM 0 H LEU A 76 -1.884 1.101 1.398 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.848 2.341 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.936 2.492 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.212 0.981 0.611 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.561 2.356 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.300 4.000 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.346 4.528 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.985 3.874 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.681 1.662 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.381 1.406 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.015 0.405 2.738 1.00 0.00 H new ATOM 1201 N SER A 77 -2.008 4.393 1.447 1.00 0.00 N ATOM 1202 CA SER A 77 -1.755 5.771 1.730 1.00 0.00 C ATOM 1203 C SER A 77 -0.484 6.301 1.095 1.00 0.00 C ATOM 1204 O SER A 77 -0.154 7.457 1.244 1.00 0.00 O ATOM 1205 CB SER A 77 -1.844 6.051 3.209 1.00 0.00 C ATOM 1206 OG SER A 77 -3.205 6.178 3.598 1.00 0.00 O ATOM 0 H SER A 77 -1.763 3.753 2.203 1.00 0.00 H new ATOM 0 HA SER A 77 -2.551 6.338 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.371 5.245 3.769 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.302 6.966 3.448 1.00 0.00 H new ATOM 0 HG SER A 77 -3.640 6.861 3.047 1.00 0.00 H new ATOM 1212 N THR A 78 0.209 5.470 0.379 1.00 0.00 N ATOM 1213 CA THR A 78 1.301 5.936 -0.406 1.00 0.00 C ATOM 1214 C THR A 78 0.833 6.056 -1.856 1.00 0.00 C ATOM 1215 O THR A 78 1.318 6.910 -2.613 1.00 0.00 O ATOM 1216 CB THR A 78 2.533 5.033 -0.257 1.00 0.00 C ATOM 1217 OG1 THR A 78 2.930 5.045 1.121 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.688 5.520 -1.111 1.00 0.00 C ATOM 0 H THR A 78 0.035 4.466 0.324 1.00 0.00 H new ATOM 0 HA THR A 78 1.618 6.918 -0.054 1.00 0.00 H new ATOM 0 HB THR A 78 2.275 4.027 -0.587 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.022 4.124 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.543 4.856 -0.980 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.389 5.524 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.963 6.530 -0.809 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.183 5.251 -2.217 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.787 5.320 -3.536 1.00 0.00 C ATOM 1228 C PHE A 79 -1.316 6.741 -3.763 1.00 0.00 C ATOM 1229 O PHE A 79 -0.990 7.386 -4.749 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.955 4.315 -3.697 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.605 2.857 -3.582 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.338 2.388 -3.890 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.563 1.951 -3.161 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.041 1.051 -3.773 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.269 0.609 -3.045 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.006 0.158 -3.350 1.00 0.00 C ATOM 0 H PHE A 79 -0.595 4.548 -1.604 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.023 5.062 -4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.710 4.545 -2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.415 4.480 -4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.422 3.078 -4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.556 2.301 -2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.951 0.697 -4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.028 -0.086 -2.716 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.769 -0.892 -3.259 1.00 0.00 H new ATOM 1246 N GLU A 80 -2.071 7.241 -2.795 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.648 8.601 -2.841 1.00 0.00 C ATOM 1248 C GLU A 80 -1.561 9.697 -2.982 1.00 0.00 C ATOM 1249 O GLU A 80 -1.808 10.761 -3.549 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.484 8.866 -1.577 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.714 8.587 -0.303 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.418 8.999 0.973 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -3.428 10.214 1.274 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.903 8.133 1.730 1.00 0.00 O ATOM 0 H GLU A 80 -2.308 6.724 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.284 8.648 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.817 9.904 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.379 8.244 -1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.498 7.520 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.756 9.104 -0.355 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.362 9.407 -2.507 1.00 0.00 N ATOM 1262 CA ARG A 81 0.722 10.386 -2.483 1.00 0.00 C ATOM 1263 C ARG A 81 1.406 10.471 -3.828 1.00 0.00 C ATOM 1264 O ARG A 81 1.780 11.546 -4.279 1.00 0.00 O ATOM 1265 CB ARG A 81 1.745 10.002 -1.421 1.00 0.00 C ATOM 1266 CG ARG A 81 1.129 9.793 -0.065 1.00 0.00 C ATOM 1267 CD ARG A 81 0.579 11.066 0.539 1.00 0.00 C ATOM 1268 NE ARG A 81 -0.530 10.787 1.461 1.00 0.00 N ATOM 1269 CZ ARG A 81 -0.480 10.741 2.798 1.00 0.00 C ATOM 1270 NH1 ARG A 81 0.669 10.903 3.461 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -1.599 10.488 3.468 1.00 0.00 N ATOM 0 H ARG A 81 -0.109 8.494 -2.129 1.00 0.00 H new ATOM 0 HA ARG A 81 0.293 11.360 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.255 9.089 -1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.503 10.783 -1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.326 9.060 -0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.878 9.373 0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.373 11.591 1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.236 11.729 -0.255 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.439 10.608 1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.535 11.066 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.680 10.863 4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.472 10.334 2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.585 10.448 4.487 1.00 0.00 H new ATOM 1285 N ILE A 82 1.527 9.340 -4.486 1.00 0.00 N ATOM 1286 CA ILE A 82 2.251 9.245 -5.753 1.00 0.00 C ATOM 1287 C ILE A 82 1.320 9.442 -6.955 1.00 0.00 C ATOM 1288 O ILE A 82 1.653 9.046 -8.077 1.00 0.00 O ATOM 1289 CB ILE A 82 2.961 7.865 -5.881 1.00 0.00 C ATOM 1290 CG1 ILE A 82 1.943 6.715 -5.913 1.00 0.00 C ATOM 1291 CG2 ILE A 82 3.925 7.667 -4.728 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.546 5.347 -6.157 1.00 0.00 C ATOM 0 H ILE A 82 1.130 8.456 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 82 2.995 10.042 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 82 3.513 7.857 -6.821 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.405 6.697 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.209 6.918 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.416 6.699 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.675 8.458 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.378 7.702 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.755 4.597 -6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.059 5.342 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.258 5.117 -5.365 1.00 0.00 H new ATOM 1304 N ASN A 83 0.174 10.080 -6.716 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.859 10.293 -7.740 1.00 0.00 C ATOM 1306 C ASN A 83 -1.431 8.999 -8.245 1.00 0.00 C ATOM 1307 O ASN A 83 -1.816 8.865 -9.401 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.408 11.196 -8.897 1.00 0.00 C ATOM 1309 CG ASN A 83 -0.493 12.675 -8.577 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -1.475 13.063 -7.796 1.00 0.00 O flip ATOM 1311 ND2 ASN A 83 0.291 13.483 -9.085 1.00 0.00 N flip ATOM 0 H ASN A 83 -0.069 10.467 -5.804 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.656 10.835 -7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.620 10.948 -9.162 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.022 10.986 -9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.045 13.152 -9.688 1.00 0.00 H new ATOM 0 HD22 ASN A 83 0.185 14.481 -8.902 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.534 8.067 -7.357 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.116 6.792 -7.623 1.00 0.00 C ATOM 1320 C ARG A 84 -3.366 6.676 -6.735 1.00 0.00 C ATOM 1321 O ARG A 84 -3.693 5.628 -6.159 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.056 5.699 -7.358 1.00 0.00 C ATOM 1323 CG ARG A 84 -1.504 4.274 -7.592 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.172 4.128 -8.935 1.00 0.00 C ATOM 1325 NE ARG A 84 -1.284 4.492 -10.050 1.00 0.00 N ATOM 1326 CZ ARG A 84 -1.614 4.454 -11.342 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -2.838 4.111 -11.716 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -0.711 4.771 -12.247 1.00 0.00 N ATOM 0 H ARG A 84 -1.206 8.174 -6.397 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.428 6.669 -8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.192 5.897 -7.993 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.720 5.789 -6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.645 3.606 -7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.195 3.973 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.504 3.098 -9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.062 4.756 -8.964 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.340 4.798 -9.816 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.538 3.873 -11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.080 4.085 -12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.229 5.042 -11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.951 4.746 -13.238 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.118 7.764 -6.736 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.313 7.930 -5.946 1.00 0.00 C ATOM 1344 C LYS A 85 -6.383 6.999 -6.499 1.00 0.00 C ATOM 1345 O LYS A 85 -7.281 6.550 -5.794 1.00 0.00 O ATOM 1346 CB LYS A 85 -5.740 9.407 -6.028 1.00 0.00 C ATOM 1347 CG LYS A 85 -7.021 9.768 -5.308 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.312 11.255 -5.425 1.00 0.00 C ATOM 1349 CE LYS A 85 -8.653 11.616 -4.800 1.00 0.00 C ATOM 1350 NZ LYS A 85 -9.790 11.038 -5.549 1.00 0.00 N ATOM 0 H LYS A 85 -3.901 8.580 -7.308 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.148 7.677 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.934 10.020 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.849 9.675 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.850 9.198 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.942 9.491 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.519 11.821 -4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.310 11.545 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.680 11.260 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.756 12.701 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.668 11.178 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.872 11.509 -6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.630 10.020 -5.692 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.185 6.652 -7.758 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.036 5.761 -8.511 1.00 0.00 C ATOM 1366 C ASP A 86 -7.109 4.388 -7.851 1.00 0.00 C ATOM 1367 O ASP A 86 -8.186 3.812 -7.681 1.00 0.00 O ATOM 1368 CB ASP A 86 -6.482 5.634 -9.933 1.00 0.00 C ATOM 1369 CG ASP A 86 -7.200 4.617 -10.779 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -8.257 4.942 -11.353 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -6.700 3.477 -10.900 1.00 0.00 O ATOM 0 H ASP A 86 -5.395 6.999 -8.301 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.046 6.170 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.540 6.606 -10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.427 5.367 -9.879 1.00 0.00 H new ATOM 1376 N LEU A 87 -5.956 3.898 -7.436 1.00 0.00 N ATOM 1377 CA LEU A 87 -5.842 2.602 -6.807 1.00 0.00 C ATOM 1378 C LEU A 87 -6.204 2.733 -5.339 1.00 0.00 C ATOM 1379 O LEU A 87 -6.790 1.836 -4.746 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.409 2.120 -6.947 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.095 0.708 -6.531 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -4.887 -0.275 -7.357 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -2.620 0.460 -6.698 1.00 0.00 C ATOM 0 H LEU A 87 -5.069 4.393 -7.528 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.515 1.887 -7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.119 2.233 -7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.774 2.788 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.371 0.572 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.647 -1.291 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.952 -0.093 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.634 -0.152 -8.410 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.387 -0.562 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.343 0.604 -7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.061 1.158 -6.075 1.00 0.00 H new ATOM 1395 N TRP A 88 -5.871 3.881 -4.786 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.141 4.228 -3.403 1.00 0.00 C ATOM 1397 C TRP A 88 -7.639 4.148 -3.099 1.00 0.00 C ATOM 1398 O TRP A 88 -8.052 3.613 -2.073 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.606 5.631 -3.157 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.959 6.217 -1.819 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.475 5.843 -0.618 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.871 7.295 -1.559 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -6.010 6.615 0.375 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.869 7.514 -0.172 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.678 8.091 -2.360 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.645 8.502 0.431 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.449 9.072 -1.768 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.428 9.270 -0.383 1.00 0.00 C ATOM 0 H TRP A 88 -5.391 4.620 -5.300 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.646 3.520 -2.738 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.521 5.612 -3.254 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -5.985 6.291 -3.938 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.764 5.045 -0.462 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.798 6.530 1.369 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.703 7.945 -3.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.628 8.654 1.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.079 9.697 -2.384 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.043 10.045 0.051 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.436 4.647 -4.017 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.889 4.623 -3.906 1.00 0.00 C ATOM 1421 C GLU A 89 -10.478 3.211 -3.951 1.00 0.00 C ATOM 1422 O GLU A 89 -11.653 3.007 -3.627 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.517 5.524 -4.948 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.326 6.992 -4.627 1.00 0.00 C ATOM 1425 CD GLU A 89 -10.802 7.919 -5.704 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -12.017 8.129 -5.839 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -9.965 8.509 -6.387 1.00 0.00 O ATOM 0 H GLU A 89 -8.097 5.087 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.135 5.010 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.081 5.308 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.582 5.305 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.856 7.223 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.268 7.178 -4.443 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.685 2.249 -4.364 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.115 0.855 -4.318 1.00 0.00 C ATOM 1436 C ARG A 90 -9.756 0.274 -2.944 1.00 0.00 C ATOM 1437 O ARG A 90 -10.400 -0.647 -2.452 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.378 -0.036 -5.317 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.361 0.291 -6.795 1.00 0.00 C ATOM 1440 CD ARG A 90 -8.710 -0.911 -7.470 1.00 0.00 C ATOM 1441 NE ARG A 90 -8.165 -0.698 -8.811 1.00 0.00 N ATOM 1442 CZ ARG A 90 -7.333 -1.596 -9.401 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -7.101 -2.776 -8.811 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -6.751 -1.322 -10.559 1.00 0.00 N ATOM 0 H ARG A 90 -8.746 2.395 -4.734 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.182 0.862 -4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.339 -0.089 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.795 -1.038 -5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.370 0.454 -7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.797 1.203 -6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.904 -1.266 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.449 -1.711 -7.526 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.417 0.150 -9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.548 -2.998 -7.922 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.477 -3.452 -9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.925 -0.428 -11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.129 -2.005 -10.991 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.730 0.834 -2.331 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.155 0.250 -1.144 1.00 0.00 C ATOM 1460 C GLY A 91 -8.668 0.794 0.163 1.00 0.00 C ATOM 1461 O GLY A 91 -8.128 0.465 1.223 1.00 0.00 O ATOM 0 H GLY A 91 -8.280 1.695 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.336 -0.825 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.075 0.392 -1.177 1.00 0.00 H new