USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 784 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 45 THR OG1 : rot 154:sc= 0.335 USER MOD Set 1.2: A 60 GLN : amide:sc= 1.46 K(o=2.3,f=0.94) USER MOD Set 1.3: A 78 THR OG1 : rot 180:sc= 0.551 USER MOD Set 2.1: A 76 HIS : no HD1:sc= 0.2 K(o=0.75,f=-1.4!) USER MOD Set 2.2: A 77 THR OG1 : rot -150:sc= 0.551 USER MOD Set 3.1: A 56 THR OG1 : rot 180:sc= -0.0326 USER MOD Set 3.2: A 82 GLN : amide:sc= 0 X(o=-0.033,f=-0.033) USER MOD Single : A 16 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.0018) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= -0.0266 (180deg=-0.0756) USER MOD Single : A 22 ASN : amide:sc= -3.17! C(o=-3.2!,f=-6.5!) USER MOD Single : A 24 SER OG : rot 2:sc= 0.779! USER MOD Single : A 25 TYR OH : rot -15:sc= -1.16 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -3.38 X(o=-3.4,f=-3.2) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -119:sc= -0.876 (180deg=-2.53!) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 79:sc= -0.0908 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 63:sc= 1.03 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 70 HIS : no HD1:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 73 CYS SG : rot 160:sc= -0.417 USER MOD Single : A 84 LYS NZ :NH3+ -160:sc= -0.0972 (180deg=-0.55) USER MOD Single : A 87 ASN : amide:sc= -0.685 X(o=-0.68,f=-0.62) USER MOD Single : A 93 GLN : amide:sc= -8.09! C(o=-8.1!,f=-11!) USER MOD Single : A 94 CYS SG : rot 66:sc= -2.03 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 19:sc= 0.528 USER MOD Single : A 99 THR OG1 : rot 102:sc= -4.23! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 166 N VAL A 15 -8.423 -9.555 -0.460 1.00 0.00 N ATOM 167 CA VAL A 15 -8.019 -9.462 0.938 1.00 0.00 C ATOM 168 C VAL A 15 -6.990 -8.356 1.141 1.00 0.00 C ATOM 169 O VAL A 15 -6.084 -8.180 0.328 1.00 0.00 O ATOM 170 CB VAL A 15 -7.430 -10.794 1.441 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.956 -10.658 2.880 1.00 0.00 C ATOM 172 CG2 VAL A 15 -8.454 -11.911 1.311 1.00 0.00 C ATOM 0 HA VAL A 15 -8.916 -9.229 1.512 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.569 -11.048 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.543 -11.608 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.188 -9.887 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.797 -10.381 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.022 -12.845 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.336 -11.667 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.740 -12.023 0.265 1.00 0.00 H new ATOM 182 N ASN A 16 -7.138 -7.611 2.232 1.00 0.00 N ATOM 183 CA ASN A 16 -6.222 -6.520 2.543 1.00 0.00 C ATOM 184 C ASN A 16 -5.178 -6.961 3.564 1.00 0.00 C ATOM 185 O ASN A 16 -5.516 -7.395 4.666 1.00 0.00 O ATOM 186 CB ASN A 16 -6.995 -5.313 3.076 1.00 0.00 C ATOM 187 CG ASN A 16 -8.082 -4.856 2.123 1.00 0.00 C ATOM 188 OD1 ASN A 16 -9.230 -5.292 2.217 1.00 0.00 O ATOM 189 ND2 ASN A 16 -7.725 -3.972 1.198 1.00 0.00 N ATOM 0 H ASN A 16 -7.884 -7.743 2.915 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.709 -6.237 1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.442 -5.567 4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.302 -4.491 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.414 -3.628 0.529 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.762 -3.638 1.157 1.00 0.00 H new ATOM 196 N LEU A 17 -3.908 -6.846 3.192 1.00 0.00 N ATOM 197 CA LEU A 17 -2.813 -7.232 4.075 1.00 0.00 C ATOM 198 C LEU A 17 -2.619 -6.201 5.183 1.00 0.00 C ATOM 199 O LEU A 17 -3.155 -5.096 5.117 1.00 0.00 O ATOM 200 CB LEU A 17 -1.518 -7.389 3.276 1.00 0.00 C ATOM 201 CG LEU A 17 -1.558 -8.392 2.123 1.00 0.00 C ATOM 202 CD1 LEU A 17 -0.279 -8.316 1.305 1.00 0.00 C ATOM 203 CD2 LEU A 17 -1.772 -9.803 2.652 1.00 0.00 C ATOM 0 H LEU A 17 -3.611 -6.488 2.284 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.067 -8.188 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.243 -6.414 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.725 -7.686 3.962 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.396 -8.137 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.326 -9.037 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.168 -7.312 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.575 -8.545 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.798 -10.504 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.955 -10.068 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.716 -9.849 3.194 1.00 0.00 H new ATOM 215 N ALA A 18 -1.846 -6.571 6.199 1.00 0.00 N ATOM 216 CA ALA A 18 -1.577 -5.678 7.319 1.00 0.00 C ATOM 217 C ALA A 18 -0.078 -5.525 7.552 1.00 0.00 C ATOM 218 O ALA A 18 0.379 -4.508 8.072 1.00 0.00 O ATOM 219 CB ALA A 18 -2.259 -6.191 8.579 1.00 0.00 C ATOM 0 H ALA A 18 -1.395 -7.483 6.269 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.982 -4.696 7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.049 -5.514 9.407 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.335 -6.242 8.415 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.881 -7.185 8.818 1.00 0.00 H new ATOM 225 N PHE A 19 0.683 -6.543 7.163 1.00 0.00 N ATOM 226 CA PHE A 19 2.132 -6.522 7.331 1.00 0.00 C ATOM 227 C PHE A 19 2.803 -7.517 6.388 1.00 0.00 C ATOM 228 O PHE A 19 2.547 -8.719 6.451 1.00 0.00 O ATOM 229 CB PHE A 19 2.503 -6.845 8.780 1.00 0.00 C ATOM 230 CG PHE A 19 3.839 -7.518 8.921 1.00 0.00 C ATOM 231 CD1 PHE A 19 4.959 -7.000 8.291 1.00 0.00 C ATOM 232 CD2 PHE A 19 3.974 -8.667 9.683 1.00 0.00 C ATOM 233 CE1 PHE A 19 6.189 -7.618 8.418 1.00 0.00 C ATOM 234 CE2 PHE A 19 5.202 -9.288 9.815 1.00 0.00 C ATOM 235 CZ PHE A 19 6.311 -8.762 9.182 1.00 0.00 C ATOM 0 H PHE A 19 0.321 -7.392 6.730 1.00 0.00 H new ATOM 0 HA PHE A 19 2.487 -5.521 7.087 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.507 -5.922 9.360 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.734 -7.488 9.209 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.870 -6.104 7.694 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.110 -9.083 10.180 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.054 -7.206 7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.294 -10.183 10.412 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.272 -9.244 9.284 1.00 0.00 H new ATOM 245 N VAL A 20 3.664 -7.005 5.514 1.00 0.00 N ATOM 246 CA VAL A 20 4.373 -7.847 4.557 1.00 0.00 C ATOM 247 C VAL A 20 5.867 -7.878 4.855 1.00 0.00 C ATOM 248 O VAL A 20 6.479 -6.845 5.128 1.00 0.00 O ATOM 249 CB VAL A 20 4.158 -7.358 3.113 1.00 0.00 C ATOM 250 CG1 VAL A 20 5.144 -8.031 2.169 1.00 0.00 C ATOM 251 CG2 VAL A 20 2.725 -7.614 2.671 1.00 0.00 C ATOM 0 H VAL A 20 3.887 -6.012 5.449 1.00 0.00 H new ATOM 0 HA VAL A 20 3.965 -8.853 4.656 1.00 0.00 H new ATOM 0 HB VAL A 20 4.337 -6.283 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.977 -7.673 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.162 -7.792 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.000 -9.111 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.591 -7.262 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.515 -8.683 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.040 -7.081 3.330 1.00 0.00 H new ATOM 261 N LYS A 21 6.452 -9.070 4.800 1.00 0.00 N ATOM 262 CA LYS A 21 7.876 -9.237 5.062 1.00 0.00 C ATOM 263 C LYS A 21 8.711 -8.644 3.931 1.00 0.00 C ATOM 264 O LYS A 21 8.985 -9.310 2.934 1.00 0.00 O ATOM 265 CB LYS A 21 8.213 -10.720 5.235 1.00 0.00 C ATOM 266 CG LYS A 21 9.457 -10.968 6.070 1.00 0.00 C ATOM 267 CD LYS A 21 10.683 -10.317 5.450 1.00 0.00 C ATOM 268 CE LYS A 21 10.936 -8.936 6.034 1.00 0.00 C ATOM 269 NZ LYS A 21 12.093 -8.262 5.384 1.00 0.00 N ATOM 0 H LYS A 21 5.961 -9.935 4.576 1.00 0.00 H new ATOM 0 HA LYS A 21 8.115 -8.706 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.366 -11.224 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.350 -11.170 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.305 -10.576 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.623 -12.041 6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.555 -10.949 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.548 -10.238 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.044 -8.322 5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.121 -9.023 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.100 -7.255 5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.977 -8.708 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.011 -8.351 4.351 1.00 0.00 H new ATOM 283 N ASN A 22 9.113 -7.388 4.095 1.00 0.00 N ATOM 284 CA ASN A 22 9.917 -6.705 3.088 1.00 0.00 C ATOM 285 C ASN A 22 10.941 -5.783 3.743 1.00 0.00 C ATOM 286 O ASN A 22 10.830 -5.455 4.924 1.00 0.00 O ATOM 287 CB ASN A 22 9.018 -5.901 2.146 1.00 0.00 C ATOM 288 CG ASN A 22 8.546 -4.601 2.768 1.00 0.00 C ATOM 289 OD1 ASN A 22 8.957 -3.517 2.355 1.00 0.00 O ATOM 290 ND2 ASN A 22 7.677 -4.705 3.768 1.00 0.00 N ATOM 0 H ASN A 22 8.895 -6.823 4.915 1.00 0.00 H new ATOM 0 HA ASN A 22 10.451 -7.461 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.561 -5.684 1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.153 -6.504 1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.323 -3.865 4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.363 -5.625 4.078 1.00 0.00 H new ATOM 297 N ASP A 23 11.936 -5.368 2.968 1.00 0.00 N ATOM 298 CA ASP A 23 12.979 -4.482 3.471 1.00 0.00 C ATOM 299 C ASP A 23 13.269 -3.363 2.475 1.00 0.00 C ATOM 300 O ASP A 23 13.592 -3.619 1.315 1.00 0.00 O ATOM 301 CB ASP A 23 14.257 -5.273 3.754 1.00 0.00 C ATOM 302 CG ASP A 23 15.265 -4.476 4.559 1.00 0.00 C ATOM 303 OD1 ASP A 23 14.862 -3.855 5.565 1.00 0.00 O ATOM 304 OD2 ASP A 23 16.456 -4.472 4.183 1.00 0.00 O ATOM 0 H ASP A 23 12.043 -5.631 1.988 1.00 0.00 H new ATOM 0 HA ASP A 23 12.624 -4.035 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.004 -6.185 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.709 -5.577 2.810 1.00 0.00 H new ATOM 309 N SER A 24 13.150 -2.122 2.937 1.00 0.00 N ATOM 310 CA SER A 24 13.394 -0.963 2.085 1.00 0.00 C ATOM 311 C SER A 24 14.598 -0.169 2.582 1.00 0.00 C ATOM 312 O SER A 24 14.623 0.294 3.722 1.00 0.00 O ATOM 313 CB SER A 24 12.157 -0.064 2.044 1.00 0.00 C ATOM 314 OG SER A 24 12.074 0.742 3.207 1.00 0.00 O ATOM 0 H SER A 24 12.886 -1.893 3.895 1.00 0.00 H new ATOM 0 HA SER A 24 13.607 -1.321 1.078 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.194 0.571 1.159 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.260 -0.678 1.958 1.00 0.00 H new ATOM 0 HG SER A 24 12.848 0.568 3.782 1.00 0.00 H new ATOM 320 N TYR A 25 15.595 -0.015 1.717 1.00 0.00 N ATOM 321 CA TYR A 25 16.804 0.721 2.067 1.00 0.00 C ATOM 322 C TYR A 25 16.820 2.092 1.397 1.00 0.00 C ATOM 323 O TYR A 25 16.263 2.272 0.315 1.00 0.00 O ATOM 324 CB TYR A 25 18.046 -0.073 1.659 1.00 0.00 C ATOM 325 CG TYR A 25 18.176 -0.268 0.165 1.00 0.00 C ATOM 326 CD1 TYR A 25 17.584 -1.354 -0.468 1.00 0.00 C ATOM 327 CD2 TYR A 25 18.890 0.634 -0.613 1.00 0.00 C ATOM 328 CE1 TYR A 25 17.701 -1.536 -1.832 1.00 0.00 C ATOM 329 CE2 TYR A 25 19.011 0.461 -1.979 1.00 0.00 C ATOM 330 CZ TYR A 25 18.415 -0.626 -2.583 1.00 0.00 C ATOM 331 OH TYR A 25 18.533 -0.804 -3.943 1.00 0.00 O ATOM 0 H TYR A 25 15.589 -0.390 0.769 1.00 0.00 H new ATOM 0 HA TYR A 25 16.812 0.864 3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.933 0.441 2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.018 -1.049 2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 25 17.023 -2.068 0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 25 19.359 1.486 -0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 25 17.236 -2.387 -2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 25 19.569 1.173 -2.570 1.00 0.00 H new ATOM 0 HH TYR A 25 18.273 -1.719 -4.177 1.00 0.00 H new ATOM 341 N GLU A 26 17.464 3.055 2.050 1.00 0.00 N ATOM 342 CA GLU A 26 17.553 4.410 1.518 1.00 0.00 C ATOM 343 C GLU A 26 18.538 4.474 0.355 1.00 0.00 C ATOM 344 O GLU A 26 19.747 4.332 0.541 1.00 0.00 O ATOM 345 CB GLU A 26 17.979 5.385 2.617 1.00 0.00 C ATOM 346 CG GLU A 26 16.823 5.895 3.461 1.00 0.00 C ATOM 347 CD GLU A 26 17.288 6.649 4.692 1.00 0.00 C ATOM 348 OE1 GLU A 26 18.108 7.579 4.543 1.00 0.00 O ATOM 349 OE2 GLU A 26 16.831 6.310 5.803 1.00 0.00 O ATOM 0 H GLU A 26 17.931 2.922 2.947 1.00 0.00 H new ATOM 0 HA GLU A 26 16.567 4.695 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.703 4.893 3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 26 18.487 6.235 2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.196 6.548 2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 26 16.203 5.053 3.768 1.00 0.00 H new ATOM 356 N LYS A 27 18.012 4.688 -0.847 1.00 0.00 N ATOM 357 CA LYS A 27 18.843 4.772 -2.042 1.00 0.00 C ATOM 358 C LYS A 27 18.774 6.167 -2.656 1.00 0.00 C ATOM 359 O LYS A 27 17.793 6.886 -2.476 1.00 0.00 O ATOM 360 CB LYS A 27 18.401 3.728 -3.070 1.00 0.00 C ATOM 361 CG LYS A 27 19.391 3.535 -4.205 1.00 0.00 C ATOM 362 CD LYS A 27 18.945 2.435 -5.153 1.00 0.00 C ATOM 363 CE LYS A 27 18.088 2.986 -6.283 1.00 0.00 C ATOM 364 NZ LYS A 27 18.908 3.361 -7.468 1.00 0.00 N ATOM 0 H LYS A 27 17.014 4.806 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 27 19.875 4.573 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.250 2.774 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.438 4.025 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 27 19.501 4.469 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 27 20.371 3.289 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.820 1.935 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.381 1.684 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.348 2.241 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.539 3.859 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.288 3.732 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.597 4.091 -7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.412 2.523 -7.821 1.00 0.00 H new ATOM 378 N GLY A 28 19.822 6.541 -3.383 1.00 0.00 N ATOM 379 CA GLY A 28 19.858 7.848 -4.014 1.00 0.00 C ATOM 380 C GLY A 28 19.411 8.955 -3.080 1.00 0.00 C ATOM 381 O GLY A 28 19.248 8.753 -1.877 1.00 0.00 O ATOM 0 H GLY A 28 20.646 5.963 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.872 8.054 -4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.217 7.840 -4.896 1.00 0.00 H new ATOM 385 N PRO A 29 19.208 10.158 -3.637 1.00 0.00 N ATOM 386 CA PRO A 29 18.775 11.326 -2.864 1.00 0.00 C ATOM 387 C PRO A 29 17.336 11.198 -2.377 1.00 0.00 C ATOM 388 O PRO A 29 17.052 11.382 -1.194 1.00 0.00 O ATOM 389 CB PRO A 29 18.903 12.479 -3.861 1.00 0.00 C ATOM 390 CG PRO A 29 18.773 11.838 -5.200 1.00 0.00 C ATOM 391 CD PRO A 29 19.383 10.471 -5.065 1.00 0.00 C ATOM 0 HA PRO A 29 19.369 11.459 -1.960 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.126 13.227 -3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.861 12.988 -3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.727 11.771 -5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.288 12.421 -5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.880 9.742 -5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 29 20.435 10.471 -5.350 1.00 0.00 H new ATOM 399 N ASP A 30 16.431 10.882 -3.298 1.00 0.00 N ATOM 400 CA ASP A 30 15.021 10.728 -2.962 1.00 0.00 C ATOM 401 C ASP A 30 14.503 9.363 -3.403 1.00 0.00 C ATOM 402 O ASP A 30 13.294 9.135 -3.461 1.00 0.00 O ATOM 403 CB ASP A 30 14.195 11.836 -3.618 1.00 0.00 C ATOM 404 CG ASP A 30 14.629 12.116 -5.043 1.00 0.00 C ATOM 405 OD1 ASP A 30 15.199 11.205 -5.679 1.00 0.00 O ATOM 406 OD2 ASP A 30 14.400 13.246 -5.523 1.00 0.00 O ATOM 0 H ASP A 30 16.649 10.728 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 30 14.921 10.802 -1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.142 11.553 -3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.284 12.749 -3.028 1.00 0.00 H new ATOM 411 N SER A 31 15.425 8.458 -3.713 1.00 0.00 N ATOM 412 CA SER A 31 15.062 7.116 -4.153 1.00 0.00 C ATOM 413 C SER A 31 14.882 6.183 -2.960 1.00 0.00 C ATOM 414 O SER A 31 15.518 6.355 -1.920 1.00 0.00 O ATOM 415 CB SER A 31 16.132 6.558 -5.094 1.00 0.00 C ATOM 416 OG SER A 31 16.377 7.446 -6.171 1.00 0.00 O ATOM 0 H SER A 31 16.429 8.630 -3.668 1.00 0.00 H new ATOM 0 HA SER A 31 14.115 7.180 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.056 6.389 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.812 5.591 -5.482 1.00 0.00 H new ATOM 0 HG SER A 31 17.065 7.068 -6.757 1.00 0.00 H new ATOM 422 N VAL A 32 14.009 5.192 -3.118 1.00 0.00 N ATOM 423 CA VAL A 32 13.744 4.230 -2.055 1.00 0.00 C ATOM 424 C VAL A 32 13.373 2.867 -2.627 1.00 0.00 C ATOM 425 O VAL A 32 12.267 2.675 -3.135 1.00 0.00 O ATOM 426 CB VAL A 32 12.610 4.713 -1.130 1.00 0.00 C ATOM 427 CG1 VAL A 32 12.311 3.671 -0.063 1.00 0.00 C ATOM 428 CG2 VAL A 32 12.972 6.048 -0.497 1.00 0.00 C ATOM 0 H VAL A 32 13.474 5.035 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 32 14.662 4.139 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 32 11.710 4.853 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.508 4.030 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.006 2.739 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.205 3.496 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.160 6.374 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.884 5.937 0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.131 6.790 -1.279 1.00 0.00 H new ATOM 438 N VAL A 33 14.303 1.922 -2.542 1.00 0.00 N ATOM 439 CA VAL A 33 14.074 0.575 -3.050 1.00 0.00 C ATOM 440 C VAL A 33 13.423 -0.308 -1.992 1.00 0.00 C ATOM 441 O VAL A 33 13.785 -0.257 -0.817 1.00 0.00 O ATOM 442 CB VAL A 33 15.388 -0.082 -3.514 1.00 0.00 C ATOM 443 CG1 VAL A 33 15.164 -1.550 -3.842 1.00 0.00 C ATOM 444 CG2 VAL A 33 15.959 0.660 -4.713 1.00 0.00 C ATOM 0 H VAL A 33 15.223 2.064 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 33 13.403 0.669 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 33 16.111 -0.023 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.103 -1.997 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.803 -2.070 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.425 -1.636 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.887 0.183 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.241 0.634 -5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.159 1.696 -4.439 1.00 0.00 H new ATOM 454 N VAL A 34 12.459 -1.119 -2.417 1.00 0.00 N ATOM 455 CA VAL A 34 11.757 -2.016 -1.506 1.00 0.00 C ATOM 456 C VAL A 34 11.933 -3.471 -1.924 1.00 0.00 C ATOM 457 O VAL A 34 11.770 -3.817 -3.094 1.00 0.00 O ATOM 458 CB VAL A 34 10.253 -1.689 -1.444 1.00 0.00 C ATOM 459 CG1 VAL A 34 9.567 -2.533 -0.381 1.00 0.00 C ATOM 460 CG2 VAL A 34 10.041 -0.206 -1.178 1.00 0.00 C ATOM 0 H VAL A 34 12.146 -1.173 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 34 12.194 -1.869 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 34 9.806 -1.929 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.505 -2.288 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.690 -3.589 -0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.014 -2.327 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.973 0.007 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.501 0.062 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.497 0.376 -1.979 1.00 0.00 H new ATOM 470 N HIS A 35 12.268 -4.322 -0.959 1.00 0.00 N ATOM 471 CA HIS A 35 12.465 -5.743 -1.226 1.00 0.00 C ATOM 472 C HIS A 35 11.418 -6.583 -0.500 1.00 0.00 C ATOM 473 O HIS A 35 11.507 -6.796 0.709 1.00 0.00 O ATOM 474 CB HIS A 35 13.868 -6.174 -0.798 1.00 0.00 C ATOM 475 CG HIS A 35 14.958 -5.595 -1.647 1.00 0.00 C ATOM 476 ND1 HIS A 35 16.206 -6.169 -1.763 1.00 0.00 N ATOM 477 CD2 HIS A 35 14.980 -4.488 -2.425 1.00 0.00 C ATOM 478 CE1 HIS A 35 16.950 -5.440 -2.575 1.00 0.00 C ATOM 479 NE2 HIS A 35 16.229 -4.414 -2.991 1.00 0.00 N ATOM 0 H HIS A 35 12.409 -4.053 0.015 1.00 0.00 H new ATOM 0 HA HIS A 35 12.355 -5.905 -2.298 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.030 -5.878 0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.931 -7.262 -0.832 1.00 0.00 H new ATOM 0 HD1 HIS A 35 16.508 -7.023 -1.295 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.167 -3.793 -2.573 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.973 -5.647 -2.852 1.00 0.00 H new ATOM 488 N VAL A 36 10.425 -7.056 -1.247 1.00 0.00 N ATOM 489 CA VAL A 36 9.361 -7.873 -0.675 1.00 0.00 C ATOM 490 C VAL A 36 9.705 -9.356 -0.753 1.00 0.00 C ATOM 491 O VAL A 36 9.993 -9.882 -1.828 1.00 0.00 O ATOM 492 CB VAL A 36 8.020 -7.630 -1.392 1.00 0.00 C ATOM 493 CG1 VAL A 36 6.873 -8.240 -0.600 1.00 0.00 C ATOM 494 CG2 VAL A 36 7.796 -6.141 -1.611 1.00 0.00 C ATOM 0 H VAL A 36 10.335 -6.888 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 36 9.264 -7.580 0.370 1.00 0.00 H new ATOM 0 HB VAL A 36 8.055 -8.116 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.933 -8.058 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.031 -9.314 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.832 -7.785 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.844 -5.987 -2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.781 -5.630 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.603 -5.738 -2.223 1.00 0.00 H new ATOM 504 N TYR A 37 9.673 -10.026 0.394 1.00 0.00 N ATOM 505 CA TYR A 37 9.983 -11.450 0.456 1.00 0.00 C ATOM 506 C TYR A 37 8.768 -12.289 0.074 1.00 0.00 C ATOM 507 O TYR A 37 7.838 -12.453 0.864 1.00 0.00 O ATOM 508 CB TYR A 37 10.457 -11.828 1.860 1.00 0.00 C ATOM 509 CG TYR A 37 11.766 -11.180 2.253 1.00 0.00 C ATOM 510 CD1 TYR A 37 12.386 -10.260 1.416 1.00 0.00 C ATOM 511 CD2 TYR A 37 12.382 -11.487 3.460 1.00 0.00 C ATOM 512 CE1 TYR A 37 13.582 -9.666 1.770 1.00 0.00 C ATOM 513 CE2 TYR A 37 13.576 -10.896 3.823 1.00 0.00 C ATOM 514 CZ TYR A 37 14.173 -9.986 2.975 1.00 0.00 C ATOM 515 OH TYR A 37 15.364 -9.397 3.332 1.00 0.00 O ATOM 0 H TYR A 37 9.436 -9.606 1.293 1.00 0.00 H new ATOM 0 HA TYR A 37 10.781 -11.654 -0.258 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.690 -11.545 2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.566 -12.911 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.925 -10.005 0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.919 -12.200 4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.052 -8.955 1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.040 -11.145 4.766 1.00 0.00 H new ATOM 0 HH TYR A 37 15.644 -9.730 4.210 1.00 0.00 H new ATOM 525 N VAL A 38 8.784 -12.821 -1.144 1.00 0.00 N ATOM 526 CA VAL A 38 7.685 -13.645 -1.633 1.00 0.00 C ATOM 527 C VAL A 38 8.067 -14.361 -2.923 1.00 0.00 C ATOM 528 O VAL A 38 8.930 -13.900 -3.671 1.00 0.00 O ATOM 529 CB VAL A 38 6.419 -12.804 -1.880 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.661 -11.787 -2.984 1.00 0.00 C ATOM 531 CG2 VAL A 38 5.240 -13.704 -2.221 1.00 0.00 C ATOM 0 H VAL A 38 9.546 -12.696 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 38 7.475 -14.384 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 38 6.180 -12.261 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.755 -11.202 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.476 -11.123 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.926 -12.306 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.354 -13.093 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.467 -14.275 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.054 -14.389 -1.394 1.00 0.00 H new ATOM 541 N LYS A 39 7.418 -15.491 -3.181 1.00 0.00 N ATOM 542 CA LYS A 39 7.687 -16.272 -4.383 1.00 0.00 C ATOM 543 C LYS A 39 6.389 -16.781 -5.002 1.00 0.00 C ATOM 544 O LYS A 39 5.312 -16.615 -4.432 1.00 0.00 O ATOM 545 CB LYS A 39 8.605 -17.451 -4.055 1.00 0.00 C ATOM 546 CG LYS A 39 9.854 -17.054 -3.286 1.00 0.00 C ATOM 547 CD LYS A 39 10.803 -18.229 -3.120 1.00 0.00 C ATOM 548 CE LYS A 39 11.276 -18.758 -4.465 1.00 0.00 C ATOM 549 NZ LYS A 39 10.373 -19.818 -4.992 1.00 0.00 N ATOM 0 H LYS A 39 6.701 -15.887 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 39 8.183 -15.623 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.047 -18.184 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.900 -17.940 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.363 -16.245 -3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.572 -16.671 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.664 -17.922 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.304 -19.026 -2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.329 -17.937 -5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.285 -19.158 -4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.905 -20.705 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.586 -19.966 -4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.996 -19.525 -5.916 1.00 0.00 H new ATOM 563 N GLU A 40 6.501 -17.404 -6.172 1.00 0.00 N ATOM 564 CA GLU A 40 5.336 -17.938 -6.867 1.00 0.00 C ATOM 565 C GLU A 40 4.250 -16.874 -7.005 1.00 0.00 C ATOM 566 O GLU A 40 3.108 -17.082 -6.594 1.00 0.00 O ATOM 567 CB GLU A 40 4.783 -19.154 -6.121 1.00 0.00 C ATOM 568 CG GLU A 40 5.848 -19.960 -5.397 1.00 0.00 C ATOM 569 CD GLU A 40 6.631 -20.863 -6.331 1.00 0.00 C ATOM 570 OE1 GLU A 40 7.599 -20.375 -6.952 1.00 0.00 O ATOM 571 OE2 GLU A 40 6.277 -22.055 -6.441 1.00 0.00 O ATOM 0 H GLU A 40 7.386 -17.551 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 40 5.649 -18.245 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.039 -18.819 -5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.269 -19.802 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.535 -19.279 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.377 -20.565 -4.623 1.00 0.00 H new ATOM 578 N ILE A 41 4.615 -15.736 -7.585 1.00 0.00 N ATOM 579 CA ILE A 41 3.673 -14.641 -7.778 1.00 0.00 C ATOM 580 C ILE A 41 3.219 -14.555 -9.231 1.00 0.00 C ATOM 581 O ILE A 41 3.976 -14.877 -10.148 1.00 0.00 O ATOM 582 CB ILE A 41 4.287 -13.291 -7.363 1.00 0.00 C ATOM 583 CG1 ILE A 41 4.207 -13.114 -5.845 1.00 0.00 C ATOM 584 CG2 ILE A 41 3.578 -12.146 -8.072 1.00 0.00 C ATOM 585 CD1 ILE A 41 4.175 -11.667 -5.405 1.00 0.00 C ATOM 0 H ILE A 41 5.557 -15.548 -7.929 1.00 0.00 H new ATOM 0 HA ILE A 41 2.812 -14.850 -7.143 1.00 0.00 H new ATOM 0 HB ILE A 41 5.337 -13.281 -7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.314 -13.617 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.064 -13.606 -5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.023 -11.199 -7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.681 -12.266 -9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.521 -12.152 -7.806 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.118 -11.619 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.080 -11.164 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.303 -11.175 -5.836 1.00 0.00 H new ATOM 597 N CYS A 42 1.982 -14.118 -9.434 1.00 0.00 N ATOM 598 CA CYS A 42 1.427 -13.988 -10.776 1.00 0.00 C ATOM 599 C CYS A 42 1.552 -12.554 -11.280 1.00 0.00 C ATOM 600 O CYS A 42 0.794 -11.673 -10.871 1.00 0.00 O ATOM 601 CB CYS A 42 -0.040 -14.420 -10.788 1.00 0.00 C ATOM 602 SG CYS A 42 -0.586 -15.136 -12.356 1.00 0.00 S ATOM 0 H CYS A 42 1.344 -13.847 -8.686 1.00 0.00 H new ATOM 0 HA CYS A 42 1.995 -14.638 -11.442 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.200 -15.149 -9.993 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.664 -13.556 -10.559 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.839 -15.472 -12.267 1.00 0.00 H new ATOM 608 N ARG A 43 2.513 -12.326 -12.169 1.00 0.00 N ATOM 609 CA ARG A 43 2.739 -10.998 -12.726 1.00 0.00 C ATOM 610 C ARG A 43 1.584 -10.585 -13.633 1.00 0.00 C ATOM 611 O ARG A 43 1.509 -9.439 -14.078 1.00 0.00 O ATOM 612 CB ARG A 43 4.053 -10.967 -13.510 1.00 0.00 C ATOM 613 CG ARG A 43 5.239 -11.513 -12.731 1.00 0.00 C ATOM 614 CD ARG A 43 6.556 -11.169 -13.410 1.00 0.00 C ATOM 615 NE ARG A 43 6.629 -11.703 -14.767 1.00 0.00 N ATOM 616 CZ ARG A 43 7.485 -11.267 -15.683 1.00 0.00 C ATOM 617 NH1 ARG A 43 8.337 -10.295 -15.390 1.00 0.00 N ATOM 618 NH2 ARG A 43 7.491 -11.804 -16.897 1.00 0.00 N ATOM 0 H ARG A 43 3.148 -13.044 -12.519 1.00 0.00 H new ATOM 0 HA ARG A 43 2.800 -10.291 -11.899 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.934 -11.545 -14.426 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.265 -9.940 -13.807 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.231 -11.104 -11.720 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.148 -12.595 -12.638 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.676 -10.086 -13.440 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.382 -11.565 -12.820 1.00 0.00 H new ATOM 0 HE ARG A 43 5.987 -12.452 -15.025 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.336 -9.880 -14.458 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.994 -9.962 -16.096 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.837 -12.553 -17.127 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.149 -11.468 -17.600 1.00 0.00 H new ATOM 632 N ASP A 44 0.686 -11.526 -13.904 1.00 0.00 N ATOM 633 CA ASP A 44 -0.467 -11.260 -14.757 1.00 0.00 C ATOM 634 C ASP A 44 -1.611 -10.653 -13.952 1.00 0.00 C ATOM 635 O ASP A 44 -2.365 -9.820 -14.455 1.00 0.00 O ATOM 636 CB ASP A 44 -0.932 -12.549 -15.437 1.00 0.00 C ATOM 637 CG ASP A 44 0.044 -13.033 -16.491 1.00 0.00 C ATOM 638 OD1 ASP A 44 -0.053 -12.571 -17.648 1.00 0.00 O ATOM 639 OD2 ASP A 44 0.906 -13.873 -16.159 1.00 0.00 O ATOM 0 H ASP A 44 0.734 -12.480 -13.545 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.165 -10.543 -15.521 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.064 -13.326 -14.684 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.906 -12.382 -15.897 1.00 0.00 H new ATOM 644 N THR A 45 -1.736 -11.077 -12.698 1.00 0.00 N ATOM 645 CA THR A 45 -2.790 -10.578 -11.824 1.00 0.00 C ATOM 646 C THR A 45 -2.207 -9.797 -10.651 1.00 0.00 C ATOM 647 O THR A 45 -2.884 -9.566 -9.649 1.00 0.00 O ATOM 648 CB THR A 45 -3.660 -11.726 -11.280 1.00 0.00 C ATOM 649 OG1 THR A 45 -2.895 -12.537 -10.382 1.00 0.00 O ATOM 650 CG2 THR A 45 -4.195 -12.585 -12.416 1.00 0.00 C ATOM 0 H THR A 45 -1.120 -11.765 -12.265 1.00 0.00 H new ATOM 0 HA THR A 45 -3.412 -9.915 -12.426 1.00 0.00 H new ATOM 0 HB THR A 45 -4.505 -11.291 -10.746 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.496 -12.973 -9.742 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.807 -13.389 -12.007 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.801 -11.971 -13.082 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.361 -13.011 -12.974 1.00 0.00 H new ATOM 658 N SER A 46 -0.947 -9.394 -10.782 1.00 0.00 N ATOM 659 CA SER A 46 -0.272 -8.642 -9.731 1.00 0.00 C ATOM 660 C SER A 46 0.194 -7.284 -10.248 1.00 0.00 C ATOM 661 O SER A 46 1.023 -7.204 -11.154 1.00 0.00 O ATOM 662 CB SER A 46 0.923 -9.433 -9.195 1.00 0.00 C ATOM 663 OG SER A 46 0.506 -10.659 -8.620 1.00 0.00 O ATOM 0 H SER A 46 -0.373 -9.576 -11.606 1.00 0.00 H new ATOM 0 HA SER A 46 -0.983 -8.479 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.627 -9.628 -10.004 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.451 -8.839 -8.449 1.00 0.00 H new ATOM 0 HG SER A 46 0.333 -11.311 -9.330 1.00 0.00 H new ATOM 669 N ARG A 47 -0.347 -6.219 -9.665 1.00 0.00 N ATOM 670 CA ARG A 47 0.012 -4.864 -10.067 1.00 0.00 C ATOM 671 C ARG A 47 0.423 -4.029 -8.858 1.00 0.00 C ATOM 672 O ARG A 47 0.425 -4.515 -7.726 1.00 0.00 O ATOM 673 CB ARG A 47 -1.162 -4.195 -10.786 1.00 0.00 C ATOM 674 CG ARG A 47 -2.496 -4.387 -10.083 1.00 0.00 C ATOM 675 CD ARG A 47 -3.455 -3.248 -10.389 1.00 0.00 C ATOM 676 NE ARG A 47 -4.851 -3.674 -10.319 1.00 0.00 N ATOM 677 CZ ARG A 47 -5.389 -4.565 -11.145 1.00 0.00 C ATOM 678 NH1 ARG A 47 -4.653 -5.121 -12.097 1.00 0.00 N ATOM 679 NH2 ARG A 47 -6.666 -4.901 -11.018 1.00 0.00 N ATOM 0 H ARG A 47 -1.035 -6.268 -8.913 1.00 0.00 H new ATOM 0 HA ARG A 47 0.860 -4.927 -10.749 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.960 -3.128 -10.879 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.233 -4.595 -11.798 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.940 -5.332 -10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.336 -4.450 -9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.288 -2.434 -9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.245 -2.855 -11.384 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.445 -3.265 -9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.671 -4.865 -12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.069 -5.805 -12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.235 -4.475 -10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.079 -5.585 -11.652 1.00 0.00 H new ATOM 693 N VAL A 48 0.773 -2.771 -9.105 1.00 0.00 N ATOM 694 CA VAL A 48 1.186 -1.868 -8.037 1.00 0.00 C ATOM 695 C VAL A 48 0.668 -0.456 -8.280 1.00 0.00 C ATOM 696 O VAL A 48 0.951 0.153 -9.313 1.00 0.00 O ATOM 697 CB VAL A 48 2.720 -1.824 -7.902 1.00 0.00 C ATOM 698 CG1 VAL A 48 3.134 -0.812 -6.845 1.00 0.00 C ATOM 699 CG2 VAL A 48 3.265 -3.206 -7.571 1.00 0.00 C ATOM 0 H VAL A 48 0.779 -2.354 -10.036 1.00 0.00 H new ATOM 0 HA VAL A 48 0.758 -2.255 -7.112 1.00 0.00 H new ATOM 0 HB VAL A 48 3.143 -1.510 -8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.221 -0.795 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.776 0.178 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.703 -1.092 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.350 -3.157 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.836 -3.550 -6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.999 -3.902 -8.367 1.00 0.00 H new ATOM 709 N LEU A 49 -0.093 0.062 -7.322 1.00 0.00 N ATOM 710 CA LEU A 49 -0.652 1.406 -7.431 1.00 0.00 C ATOM 711 C LEU A 49 0.220 2.419 -6.697 1.00 0.00 C ATOM 712 O LEU A 49 0.351 2.371 -5.474 1.00 0.00 O ATOM 713 CB LEU A 49 -2.073 1.435 -6.866 1.00 0.00 C ATOM 714 CG LEU A 49 -3.134 0.691 -7.678 1.00 0.00 C ATOM 715 CD1 LEU A 49 -3.184 1.219 -9.103 1.00 0.00 C ATOM 716 CD2 LEU A 49 -2.857 -0.806 -7.672 1.00 0.00 C ATOM 0 H LEU A 49 -0.337 -0.428 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.681 1.677 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.052 1.013 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.383 2.476 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.105 0.863 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.945 0.677 -9.665 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.430 2.281 -9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.213 1.078 -9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.622 -1.320 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.878 -0.997 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.873 -1.175 -6.646 1.00 0.00 H new ATOM 728 N PHE A 50 0.814 3.338 -7.452 1.00 0.00 N ATOM 729 CA PHE A 50 1.673 4.364 -6.874 1.00 0.00 C ATOM 730 C PHE A 50 0.898 5.660 -6.652 1.00 0.00 C ATOM 731 O PHE A 50 0.555 6.361 -7.604 1.00 0.00 O ATOM 732 CB PHE A 50 2.875 4.625 -7.783 1.00 0.00 C ATOM 733 CG PHE A 50 3.826 3.465 -7.868 1.00 0.00 C ATOM 734 CD1 PHE A 50 4.544 3.058 -6.755 1.00 0.00 C ATOM 735 CD2 PHE A 50 4.001 2.781 -9.060 1.00 0.00 C ATOM 736 CE1 PHE A 50 5.419 1.991 -6.830 1.00 0.00 C ATOM 737 CE2 PHE A 50 4.875 1.713 -9.141 1.00 0.00 C ATOM 738 CZ PHE A 50 5.584 1.317 -8.024 1.00 0.00 C ATOM 0 H PHE A 50 0.716 3.393 -8.466 1.00 0.00 H new ATOM 0 HA PHE A 50 2.028 4.003 -5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.518 4.866 -8.784 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.413 5.500 -7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.418 3.581 -5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.448 3.086 -9.936 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.973 1.684 -5.955 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.003 1.189 -10.077 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.266 0.482 -8.084 1.00 0.00 H new ATOM 748 N ARG A 51 0.626 5.971 -5.389 1.00 0.00 N ATOM 749 CA ARG A 51 -0.110 7.181 -5.042 1.00 0.00 C ATOM 750 C ARG A 51 0.846 8.342 -4.781 1.00 0.00 C ATOM 751 O ARG A 51 2.060 8.204 -4.929 1.00 0.00 O ATOM 752 CB ARG A 51 -0.982 6.937 -3.809 1.00 0.00 C ATOM 753 CG ARG A 51 -2.367 6.406 -4.138 1.00 0.00 C ATOM 754 CD ARG A 51 -3.264 7.500 -4.698 1.00 0.00 C ATOM 755 NE ARG A 51 -3.026 7.727 -6.121 1.00 0.00 N ATOM 756 CZ ARG A 51 -3.573 6.993 -7.084 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.386 5.991 -6.778 1.00 0.00 N ATOM 758 NH2 ARG A 51 -3.309 7.262 -8.356 1.00 0.00 N ATOM 0 H ARG A 51 0.904 5.402 -4.589 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.750 7.442 -5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.477 6.229 -3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.082 7.870 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.285 5.595 -4.862 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.820 5.987 -3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.308 7.227 -4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.092 8.426 -4.149 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.406 8.491 -6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.593 5.782 -5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.805 5.429 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.686 8.033 -8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.729 6.698 -9.094 1.00 0.00 H new ATOM 772 N GLU A 52 0.288 9.485 -4.393 1.00 0.00 N ATOM 773 CA GLU A 52 1.091 10.669 -4.113 1.00 0.00 C ATOM 774 C GLU A 52 1.646 10.627 -2.692 1.00 0.00 C ATOM 775 O GLU A 52 2.793 11.004 -2.452 1.00 0.00 O ATOM 776 CB GLU A 52 0.256 11.937 -4.308 1.00 0.00 C ATOM 777 CG GLU A 52 -0.803 12.139 -3.237 1.00 0.00 C ATOM 778 CD GLU A 52 -1.894 13.099 -3.670 1.00 0.00 C ATOM 779 OE1 GLU A 52 -1.557 14.175 -4.208 1.00 0.00 O ATOM 780 OE2 GLU A 52 -3.083 12.775 -3.471 1.00 0.00 O ATOM 0 H GLU A 52 -0.716 9.616 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 52 1.928 10.682 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.920 12.801 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.229 11.896 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.249 11.177 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.330 12.517 -2.330 1.00 0.00 H new ATOM 787 N GLN A 53 0.824 10.166 -1.755 1.00 0.00 N ATOM 788 CA GLN A 53 1.232 10.076 -0.358 1.00 0.00 C ATOM 789 C GLN A 53 1.137 8.639 0.145 1.00 0.00 C ATOM 790 O GLN A 53 1.054 8.397 1.349 1.00 0.00 O ATOM 791 CB GLN A 53 0.365 10.991 0.509 1.00 0.00 C ATOM 792 CG GLN A 53 0.980 11.308 1.862 1.00 0.00 C ATOM 793 CD GLN A 53 -0.057 11.702 2.896 1.00 0.00 C ATOM 794 OE1 GLN A 53 -0.497 12.851 2.944 1.00 0.00 O ATOM 795 NE2 GLN A 53 -0.452 10.748 3.731 1.00 0.00 N ATOM 0 H GLN A 53 -0.128 9.849 -1.938 1.00 0.00 H new ATOM 0 HA GLN A 53 2.271 10.399 -0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.186 11.923 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.606 10.520 0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.531 10.438 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.701 12.118 1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.060 9.809 3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.147 10.954 4.449 1.00 0.00 H new ATOM 804 N ASP A 54 1.149 7.690 -0.784 1.00 0.00 N ATOM 805 CA ASP A 54 1.065 6.277 -0.435 1.00 0.00 C ATOM 806 C ASP A 54 1.362 5.399 -1.647 1.00 0.00 C ATOM 807 O ASP A 54 1.655 5.900 -2.733 1.00 0.00 O ATOM 808 CB ASP A 54 -0.322 5.949 0.121 1.00 0.00 C ATOM 809 CG ASP A 54 -1.433 6.619 -0.663 1.00 0.00 C ATOM 810 OD1 ASP A 54 -1.351 7.846 -0.876 1.00 0.00 O ATOM 811 OD2 ASP A 54 -2.385 5.916 -1.063 1.00 0.00 O ATOM 0 H ASP A 54 1.216 7.874 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 54 1.813 6.072 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.470 4.869 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.376 6.263 1.163 1.00 0.00 H new ATOM 816 N PHE A 55 1.284 4.087 -1.454 1.00 0.00 N ATOM 817 CA PHE A 55 1.547 3.139 -2.530 1.00 0.00 C ATOM 818 C PHE A 55 1.014 1.753 -2.177 1.00 0.00 C ATOM 819 O PHE A 55 1.451 1.135 -1.206 1.00 0.00 O ATOM 820 CB PHE A 55 3.048 3.062 -2.816 1.00 0.00 C ATOM 821 CG PHE A 55 3.774 2.076 -1.947 1.00 0.00 C ATOM 822 CD1 PHE A 55 3.904 0.753 -2.335 1.00 0.00 C ATOM 823 CD2 PHE A 55 4.327 2.473 -0.740 1.00 0.00 C ATOM 824 CE1 PHE A 55 4.572 -0.157 -1.537 1.00 0.00 C ATOM 825 CE2 PHE A 55 4.997 1.568 0.062 1.00 0.00 C ATOM 826 CZ PHE A 55 5.118 0.252 -0.337 1.00 0.00 C ATOM 0 H PHE A 55 1.041 3.656 -0.562 1.00 0.00 H new ATOM 0 HA PHE A 55 1.031 3.491 -3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.197 2.792 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.487 4.050 -2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.478 0.428 -3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.234 3.501 -0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.666 -1.186 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.425 1.890 1.000 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.639 -0.457 0.289 1.00 0.00 H new ATOM 836 N THR A 56 0.064 1.271 -2.973 1.00 0.00 N ATOM 837 CA THR A 56 -0.531 -0.040 -2.744 1.00 0.00 C ATOM 838 C THR A 56 0.055 -1.082 -3.689 1.00 0.00 C ATOM 839 O THR A 56 0.349 -0.789 -4.849 1.00 0.00 O ATOM 840 CB THR A 56 -2.060 -0.002 -2.925 1.00 0.00 C ATOM 841 OG1 THR A 56 -2.597 1.178 -2.316 1.00 0.00 O ATOM 842 CG2 THR A 56 -2.709 -1.234 -2.313 1.00 0.00 C ATOM 0 H THR A 56 -0.309 1.769 -3.781 1.00 0.00 H new ATOM 0 HA THR A 56 -0.301 -0.316 -1.715 1.00 0.00 H new ATOM 0 HB THR A 56 -2.276 0.010 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.569 1.195 -2.437 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.789 -1.184 -2.453 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.321 -2.129 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.483 -1.273 -1.247 1.00 0.00 H new ATOM 850 N LEU A 57 0.223 -2.301 -3.188 1.00 0.00 N ATOM 851 CA LEU A 57 0.775 -3.389 -3.988 1.00 0.00 C ATOM 852 C LEU A 57 -0.162 -4.592 -3.991 1.00 0.00 C ATOM 853 O LEU A 57 -0.312 -5.276 -2.978 1.00 0.00 O ATOM 854 CB LEU A 57 2.148 -3.798 -3.452 1.00 0.00 C ATOM 855 CG LEU A 57 2.609 -5.213 -3.800 1.00 0.00 C ATOM 856 CD1 LEU A 57 2.869 -5.338 -5.293 1.00 0.00 C ATOM 857 CD2 LEU A 57 3.856 -5.578 -3.007 1.00 0.00 C ATOM 0 H LEU A 57 -0.015 -2.561 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 57 0.884 -3.034 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.888 -3.093 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.137 -3.697 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 57 1.815 -5.909 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.196 -6.352 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.953 -5.120 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.645 -4.631 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.170 -6.589 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.656 -4.877 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.636 -5.530 -1.941 1.00 0.00 H new ATOM 869 N ILE A 58 -0.789 -4.845 -5.135 1.00 0.00 N ATOM 870 CA ILE A 58 -1.708 -5.968 -5.269 1.00 0.00 C ATOM 871 C ILE A 58 -1.081 -7.098 -6.079 1.00 0.00 C ATOM 872 O ILE A 58 -0.791 -6.940 -7.265 1.00 0.00 O ATOM 873 CB ILE A 58 -3.026 -5.540 -5.942 1.00 0.00 C ATOM 874 CG1 ILE A 58 -3.801 -4.584 -5.033 1.00 0.00 C ATOM 875 CG2 ILE A 58 -3.870 -6.760 -6.279 1.00 0.00 C ATOM 876 CD1 ILE A 58 -3.203 -3.196 -4.965 1.00 0.00 C ATOM 0 H ILE A 58 -0.677 -4.288 -5.982 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.922 -6.322 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.790 -5.019 -6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.829 -4.511 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.840 -5.003 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.798 -6.441 -6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.318 -7.408 -6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.100 -7.307 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.804 -2.573 -4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.185 -3.257 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.189 -2.757 -5.962 1.00 0.00 H new ATOM 888 N PHE A 59 -0.877 -8.240 -5.431 1.00 0.00 N ATOM 889 CA PHE A 59 -0.285 -9.398 -6.090 1.00 0.00 C ATOM 890 C PHE A 59 -0.785 -10.696 -5.462 1.00 0.00 C ATOM 891 O PHE A 59 -0.972 -10.778 -4.249 1.00 0.00 O ATOM 892 CB PHE A 59 1.242 -9.334 -6.008 1.00 0.00 C ATOM 893 CG PHE A 59 1.783 -9.651 -4.643 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.687 -10.932 -4.126 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.387 -8.667 -3.878 1.00 0.00 C ATOM 896 CE1 PHE A 59 2.183 -11.226 -2.870 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.886 -8.955 -2.621 1.00 0.00 C ATOM 898 CZ PHE A 59 2.784 -10.237 -2.117 1.00 0.00 C ATOM 0 H PHE A 59 -1.113 -8.388 -4.450 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.587 -9.382 -7.137 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.666 -10.032 -6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.572 -8.336 -6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.219 -11.710 -4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.469 -7.663 -4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.101 -12.229 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.355 -8.179 -2.034 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.174 -10.465 -1.136 1.00 0.00 H new ATOM 908 N GLN A 60 -0.998 -11.707 -6.298 1.00 0.00 N ATOM 909 CA GLN A 60 -1.478 -13.000 -5.826 1.00 0.00 C ATOM 910 C GLN A 60 -0.345 -14.021 -5.790 1.00 0.00 C ATOM 911 O GLN A 60 0.119 -14.487 -6.832 1.00 0.00 O ATOM 912 CB GLN A 60 -2.609 -13.507 -6.722 1.00 0.00 C ATOM 913 CG GLN A 60 -3.961 -12.892 -6.402 1.00 0.00 C ATOM 914 CD GLN A 60 -4.959 -13.054 -7.532 1.00 0.00 C ATOM 915 OE1 GLN A 60 -4.765 -13.868 -8.434 1.00 0.00 O ATOM 916 NE2 GLN A 60 -6.035 -12.277 -7.488 1.00 0.00 N ATOM 0 H GLN A 60 -0.846 -11.656 -7.305 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.858 -12.870 -4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.360 -13.295 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.680 -14.590 -6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.362 -13.354 -5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.831 -11.831 -6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.155 -11.616 -6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.741 -12.342 -8.221 1.00 0.00 H new ATOM 925 N THR A 61 0.098 -14.365 -4.585 1.00 0.00 N ATOM 926 CA THR A 61 1.178 -15.329 -4.413 1.00 0.00 C ATOM 927 C THR A 61 0.633 -16.704 -4.043 1.00 0.00 C ATOM 928 O THR A 61 -0.381 -16.815 -3.355 1.00 0.00 O ATOM 929 CB THR A 61 2.171 -14.873 -3.328 1.00 0.00 C ATOM 930 OG1 THR A 61 3.254 -15.804 -3.232 1.00 0.00 O ATOM 931 CG2 THR A 61 1.479 -14.751 -1.978 1.00 0.00 C ATOM 0 H THR A 61 -0.275 -13.990 -3.713 1.00 0.00 H new ATOM 0 HA THR A 61 1.700 -15.393 -5.368 1.00 0.00 H new ATOM 0 HB THR A 61 2.559 -13.894 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.746 -15.822 -4.079 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.200 -14.428 -1.227 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.674 -14.019 -2.047 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.067 -15.719 -1.692 1.00 0.00 H new ATOM 939 N ARG A 62 1.314 -17.748 -4.504 1.00 0.00 N ATOM 940 CA ARG A 62 0.898 -19.116 -4.221 1.00 0.00 C ATOM 941 C ARG A 62 2.036 -19.911 -3.587 1.00 0.00 C ATOM 942 O ARG A 62 2.063 -21.140 -3.658 1.00 0.00 O ATOM 943 CB ARG A 62 0.433 -19.806 -5.505 1.00 0.00 C ATOM 944 CG ARG A 62 1.497 -19.855 -6.590 1.00 0.00 C ATOM 945 CD ARG A 62 0.965 -20.493 -7.863 1.00 0.00 C ATOM 946 NE ARG A 62 0.326 -19.514 -8.740 1.00 0.00 N ATOM 947 CZ ARG A 62 -0.361 -19.841 -9.829 1.00 0.00 C ATOM 948 NH1 ARG A 62 -0.497 -21.115 -10.174 1.00 0.00 N ATOM 949 NH2 ARG A 62 -0.913 -18.894 -10.576 1.00 0.00 N ATOM 0 H ARG A 62 2.156 -17.672 -5.075 1.00 0.00 H new ATOM 0 HA ARG A 62 0.068 -19.078 -3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.121 -20.823 -5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.443 -19.285 -5.891 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.845 -18.845 -6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.358 -20.419 -6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.784 -20.977 -8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.247 -21.272 -7.606 1.00 0.00 H new ATOM 0 HE ARG A 62 0.412 -18.526 -8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.074 -21.846 -9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.025 -21.363 -11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.810 -17.913 -10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.440 -19.146 -11.412 1.00 0.00 H new ATOM 963 N ASP A 63 2.973 -19.201 -2.969 1.00 0.00 N ATOM 964 CA ASP A 63 4.114 -19.839 -2.322 1.00 0.00 C ATOM 965 C ASP A 63 3.764 -20.264 -0.899 1.00 0.00 C ATOM 966 O ASP A 63 3.609 -19.427 -0.011 1.00 0.00 O ATOM 967 CB ASP A 63 5.314 -18.891 -2.304 1.00 0.00 C ATOM 968 CG ASP A 63 6.591 -19.582 -1.868 1.00 0.00 C ATOM 969 OD1 ASP A 63 6.654 -20.825 -1.963 1.00 0.00 O ATOM 970 OD2 ASP A 63 7.527 -18.879 -1.432 1.00 0.00 O ATOM 0 H ASP A 63 2.965 -18.183 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 63 4.374 -20.729 -2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.454 -18.468 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.106 -18.059 -1.631 1.00 0.00 H new ATOM 975 N GLY A 64 3.639 -21.572 -0.691 1.00 0.00 N ATOM 976 CA GLY A 64 3.307 -22.085 0.625 1.00 0.00 C ATOM 977 C GLY A 64 4.084 -21.396 1.729 1.00 0.00 C ATOM 978 O GLY A 64 3.623 -21.317 2.867 1.00 0.00 O ATOM 0 H GLY A 64 3.762 -22.285 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.239 -21.957 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.510 -23.156 0.656 1.00 0.00 H new ATOM 982 N ASN A 65 5.269 -20.896 1.394 1.00 0.00 N ATOM 983 CA ASN A 65 6.114 -20.212 2.366 1.00 0.00 C ATOM 984 C ASN A 65 5.508 -18.868 2.763 1.00 0.00 C ATOM 985 O ASN A 65 5.569 -18.466 3.925 1.00 0.00 O ATOM 986 CB ASN A 65 7.518 -20.002 1.796 1.00 0.00 C ATOM 987 CG ASN A 65 8.304 -21.296 1.705 1.00 0.00 C ATOM 988 OD1 ASN A 65 8.398 -22.047 2.676 1.00 0.00 O ATOM 989 ND2 ASN A 65 8.873 -21.561 0.535 1.00 0.00 N ATOM 0 H ASN A 65 5.666 -20.952 0.456 1.00 0.00 H new ATOM 0 HA ASN A 65 6.181 -20.838 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.442 -19.556 0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.060 -19.294 2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.415 -22.417 0.414 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.768 -20.909 -0.242 1.00 0.00 H new ATOM 996 N PHE A 66 4.923 -18.179 1.789 1.00 0.00 N ATOM 997 CA PHE A 66 4.306 -16.881 2.036 1.00 0.00 C ATOM 998 C PHE A 66 2.869 -17.045 2.521 1.00 0.00 C ATOM 999 O PHE A 66 2.399 -16.290 3.373 1.00 0.00 O ATOM 1000 CB PHE A 66 4.333 -16.030 0.764 1.00 0.00 C ATOM 1001 CG PHE A 66 3.852 -14.623 0.975 1.00 0.00 C ATOM 1002 CD1 PHE A 66 2.500 -14.350 1.104 1.00 0.00 C ATOM 1003 CD2 PHE A 66 4.753 -13.572 1.044 1.00 0.00 C ATOM 1004 CE1 PHE A 66 2.055 -13.056 1.296 1.00 0.00 C ATOM 1005 CE2 PHE A 66 4.313 -12.275 1.237 1.00 0.00 C ATOM 1006 CZ PHE A 66 2.963 -12.018 1.365 1.00 0.00 C ATOM 0 H PHE A 66 4.863 -18.498 0.822 1.00 0.00 H new ATOM 0 HA PHE A 66 4.878 -16.377 2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.351 -16.003 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.714 -16.507 0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.785 -15.158 1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.811 -13.768 0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.998 -12.857 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.025 -11.464 1.287 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.617 -11.006 1.519 1.00 0.00 H new ATOM 1016 N LEU A 67 2.175 -18.036 1.972 1.00 0.00 N ATOM 1017 CA LEU A 67 0.790 -18.300 2.348 1.00 0.00 C ATOM 1018 C LEU A 67 0.705 -18.832 3.775 1.00 0.00 C ATOM 1019 O LEU A 67 -0.051 -18.314 4.597 1.00 0.00 O ATOM 1020 CB LEU A 67 0.161 -19.304 1.379 1.00 0.00 C ATOM 1021 CG LEU A 67 -0.265 -18.748 0.020 1.00 0.00 C ATOM 1022 CD1 LEU A 67 -0.992 -19.812 -0.787 1.00 0.00 C ATOM 1023 CD2 LEU A 67 -1.143 -17.518 0.198 1.00 0.00 C ATOM 0 H LEU A 67 2.548 -18.670 1.265 1.00 0.00 H new ATOM 0 HA LEU A 67 0.240 -17.360 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.873 -20.112 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.713 -19.744 1.859 1.00 0.00 H new ATOM 0 HG LEU A 67 0.630 -18.454 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.288 -19.399 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.331 -20.664 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.879 -20.137 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.437 -17.136 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.034 -17.786 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.588 -16.750 0.736 1.00 0.00 H new ATOM 1035 N ARG A 68 1.488 -19.867 4.063 1.00 0.00 N ATOM 1036 CA ARG A 68 1.501 -20.468 5.391 1.00 0.00 C ATOM 1037 C ARG A 68 1.461 -19.393 6.475 1.00 0.00 C ATOM 1038 O ARG A 68 0.789 -19.550 7.495 1.00 0.00 O ATOM 1039 CB ARG A 68 2.746 -21.339 5.568 1.00 0.00 C ATOM 1040 CG ARG A 68 2.584 -22.750 5.027 1.00 0.00 C ATOM 1041 CD ARG A 68 3.884 -23.533 5.114 1.00 0.00 C ATOM 1042 NE ARG A 68 4.057 -24.163 6.421 1.00 0.00 N ATOM 1043 CZ ARG A 68 5.077 -24.960 6.723 1.00 0.00 C ATOM 1044 NH1 ARG A 68 6.009 -25.221 5.818 1.00 0.00 N ATOM 1045 NH2 ARG A 68 5.165 -25.496 7.934 1.00 0.00 N ATOM 0 H ARG A 68 2.121 -20.306 3.395 1.00 0.00 H new ATOM 0 HA ARG A 68 0.613 -21.092 5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.588 -20.861 5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.995 -21.392 6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.807 -23.269 5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.253 -22.707 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.899 -24.298 4.338 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.723 -22.865 4.919 1.00 0.00 H new ATOM 0 HE ARG A 68 3.357 -23.981 7.141 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.945 -24.810 4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.791 -25.833 6.053 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.450 -25.296 8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.948 -26.108 8.165 1.00 0.00 H new ATOM 1059 N LEU A 69 2.186 -18.304 6.246 1.00 0.00 N ATOM 1060 CA LEU A 69 2.234 -17.203 7.202 1.00 0.00 C ATOM 1061 C LEU A 69 0.854 -16.579 7.385 1.00 0.00 C ATOM 1062 O LEU A 69 0.453 -16.250 8.502 1.00 0.00 O ATOM 1063 CB LEU A 69 3.229 -16.139 6.736 1.00 0.00 C ATOM 1064 CG LEU A 69 4.411 -16.643 5.906 1.00 0.00 C ATOM 1065 CD1 LEU A 69 5.411 -15.523 5.667 1.00 0.00 C ATOM 1066 CD2 LEU A 69 5.082 -17.822 6.594 1.00 0.00 C ATOM 0 H LEU A 69 2.748 -18.160 5.407 1.00 0.00 H new ATOM 0 HA LEU A 69 2.562 -17.603 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.688 -15.397 6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.620 -15.626 7.615 1.00 0.00 H new ATOM 0 HG LEU A 69 4.035 -16.979 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.245 -15.900 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.924 -14.709 5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.782 -15.156 6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.920 -18.167 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.445 -17.513 7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.362 -18.632 6.712 1.00 0.00 H new ATOM 1078 N HIS A 70 0.131 -16.422 6.282 1.00 0.00 N ATOM 1079 CA HIS A 70 -1.207 -15.841 6.320 1.00 0.00 C ATOM 1080 C HIS A 70 -2.273 -16.918 6.142 1.00 0.00 C ATOM 1081 O HIS A 70 -2.673 -17.251 5.026 1.00 0.00 O ATOM 1082 CB HIS A 70 -1.354 -14.776 5.234 1.00 0.00 C ATOM 1083 CG HIS A 70 -0.355 -13.665 5.344 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -0.662 -12.427 5.867 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.952 -13.612 4.996 1.00 0.00 C ATOM 1086 CE1 HIS A 70 0.413 -11.659 5.835 1.00 0.00 C ATOM 1087 NE2 HIS A 70 1.406 -12.355 5.311 1.00 0.00 N ATOM 0 H HIS A 70 0.448 -16.689 5.350 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.347 -15.376 7.296 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.253 -15.249 4.257 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.359 -14.356 5.282 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.530 -14.410 4.553 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.470 -10.637 6.179 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.356 -12.014 5.164 1.00 0.00 H new ATOM 1096 N PRO A 71 -2.744 -17.477 7.266 1.00 0.00 N ATOM 1097 CA PRO A 71 -3.769 -18.525 7.260 1.00 0.00 C ATOM 1098 C PRO A 71 -5.135 -17.997 6.834 1.00 0.00 C ATOM 1099 O PRO A 71 -5.401 -16.799 6.916 1.00 0.00 O ATOM 1100 CB PRO A 71 -3.807 -18.993 8.717 1.00 0.00 C ATOM 1101 CG PRO A 71 -3.321 -17.825 9.503 1.00 0.00 C ATOM 1102 CD PRO A 71 -2.312 -17.130 8.630 1.00 0.00 C ATOM 0 HA PRO A 71 -3.537 -19.318 6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.816 -19.278 9.015 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.171 -19.865 8.869 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.143 -17.156 9.758 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.870 -18.147 10.442 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.316 -16.052 8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.299 -17.478 8.831 1.00 0.00 H new ATOM 1110 N GLY A 72 -5.998 -18.900 6.379 1.00 0.00 N ATOM 1111 CA GLY A 72 -7.326 -18.505 5.947 1.00 0.00 C ATOM 1112 C GLY A 72 -7.360 -18.077 4.493 1.00 0.00 C ATOM 1113 O GLY A 72 -8.433 -17.925 3.909 1.00 0.00 O ATOM 0 H GLY A 72 -5.801 -19.898 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.015 -19.337 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.679 -17.685 6.572 1.00 0.00 H new ATOM 1117 N CYS A 73 -6.183 -17.880 3.909 1.00 0.00 N ATOM 1118 CA CYS A 73 -6.082 -17.464 2.515 1.00 0.00 C ATOM 1119 C CYS A 73 -5.419 -18.548 1.670 1.00 0.00 C ATOM 1120 O CYS A 73 -4.968 -19.566 2.192 1.00 0.00 O ATOM 1121 CB CYS A 73 -5.291 -16.160 2.406 1.00 0.00 C ATOM 1122 SG CYS A 73 -5.907 -14.832 3.468 1.00 0.00 S ATOM 0 H CYS A 73 -5.286 -18.002 4.379 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.091 -17.301 2.137 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.249 -16.358 2.657 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.311 -15.821 1.370 1.00 0.00 H new ATOM 0 HG CYS A 73 -4.972 -13.945 3.640 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.365 -18.321 0.361 1.00 0.00 N ATOM 1129 CA GLY A 74 -4.757 -19.287 -0.535 1.00 0.00 C ATOM 1130 C GLY A 74 -4.045 -18.629 -1.700 1.00 0.00 C ATOM 1131 O GLY A 74 -3.800 -17.423 -1.705 1.00 0.00 O ATOM 0 H GLY A 74 -5.732 -17.485 -0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.047 -19.898 0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.526 -19.959 -0.916 1.00 0.00 H new ATOM 1135 N PRO A 75 -3.701 -19.432 -2.718 1.00 0.00 N ATOM 1136 CA PRO A 75 -3.007 -18.943 -3.913 1.00 0.00 C ATOM 1137 C PRO A 75 -3.899 -18.063 -4.781 1.00 0.00 C ATOM 1138 O PRO A 75 -3.413 -17.200 -5.513 1.00 0.00 O ATOM 1139 CB PRO A 75 -2.634 -20.227 -4.657 1.00 0.00 C ATOM 1140 CG PRO A 75 -3.637 -21.232 -4.205 1.00 0.00 C ATOM 1141 CD PRO A 75 -3.962 -20.880 -2.780 1.00 0.00 C ATOM 0 HA PRO A 75 -2.151 -18.317 -3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.675 -20.085 -5.737 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.619 -20.544 -4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.530 -21.199 -4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.236 -22.243 -4.276 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.998 -21.112 -2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.337 -21.431 -2.077 1.00 0.00 H new ATOM 1149 N HIS A 76 -5.207 -18.287 -4.696 1.00 0.00 N ATOM 1150 CA HIS A 76 -6.167 -17.513 -5.474 1.00 0.00 C ATOM 1151 C HIS A 76 -6.716 -16.348 -4.656 1.00 0.00 C ATOM 1152 O HIS A 76 -7.644 -15.658 -5.081 1.00 0.00 O ATOM 1153 CB HIS A 76 -7.315 -18.408 -5.943 1.00 0.00 C ATOM 1154 CG HIS A 76 -7.645 -19.509 -4.983 1.00 0.00 C ATOM 1155 ND1 HIS A 76 -7.699 -19.328 -3.618 1.00 0.00 N ATOM 1156 CD2 HIS A 76 -7.942 -20.812 -5.200 1.00 0.00 C ATOM 1157 CE1 HIS A 76 -8.013 -20.471 -3.035 1.00 0.00 C ATOM 1158 NE2 HIS A 76 -8.166 -21.388 -3.973 1.00 0.00 N ATOM 0 H HIS A 76 -5.626 -18.998 -4.096 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.651 -17.110 -6.345 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.203 -17.795 -6.099 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.055 -18.844 -6.908 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -7.993 -21.306 -6.159 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.125 -20.629 -1.973 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -8.411 -22.365 -3.813 1.00 0.00 H new ATOM 1167 N THR A 77 -6.138 -16.134 -3.478 1.00 0.00 N ATOM 1168 CA THR A 77 -6.570 -15.054 -2.599 1.00 0.00 C ATOM 1169 C THR A 77 -5.750 -13.791 -2.835 1.00 0.00 C ATOM 1170 O THR A 77 -4.547 -13.761 -2.573 1.00 0.00 O ATOM 1171 CB THR A 77 -6.457 -15.457 -1.117 1.00 0.00 C ATOM 1172 OG1 THR A 77 -7.290 -16.591 -0.852 1.00 0.00 O ATOM 1173 CG2 THR A 77 -6.860 -14.303 -0.211 1.00 0.00 C ATOM 0 H THR A 77 -5.369 -16.695 -3.111 1.00 0.00 H new ATOM 0 HA THR A 77 -7.615 -14.854 -2.835 1.00 0.00 H new ATOM 0 HB THR A 77 -5.418 -15.715 -0.912 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.598 -16.561 0.078 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.772 -14.611 0.831 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.205 -13.451 -0.394 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.892 -14.019 -0.420 1.00 0.00 H new ATOM 1181 N THR A 78 -6.407 -12.748 -3.331 1.00 0.00 N ATOM 1182 CA THR A 78 -5.738 -11.482 -3.603 1.00 0.00 C ATOM 1183 C THR A 78 -5.257 -10.826 -2.313 1.00 0.00 C ATOM 1184 O THR A 78 -5.918 -10.911 -1.278 1.00 0.00 O ATOM 1185 CB THR A 78 -6.668 -10.504 -4.346 1.00 0.00 C ATOM 1186 OG1 THR A 78 -7.285 -11.163 -5.458 1.00 0.00 O ATOM 1187 CG2 THR A 78 -5.894 -9.289 -4.837 1.00 0.00 C ATOM 0 H THR A 78 -7.403 -12.755 -3.553 1.00 0.00 H new ATOM 0 HA THR A 78 -4.879 -11.708 -4.235 1.00 0.00 H new ATOM 0 HB THR A 78 -7.437 -10.169 -3.650 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.875 -10.535 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.571 -8.613 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.449 -8.773 -3.986 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.106 -9.610 -5.518 1.00 0.00 H new ATOM 1195 N PHE A 79 -4.102 -10.172 -2.383 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.532 -9.502 -1.220 1.00 0.00 C ATOM 1197 C PHE A 79 -3.249 -8.034 -1.523 1.00 0.00 C ATOM 1198 O PHE A 79 -2.471 -7.713 -2.421 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.244 -10.202 -0.782 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.452 -11.626 -0.351 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -3.443 -11.949 0.561 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -1.655 -12.640 -0.858 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -3.636 -13.258 0.960 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -1.844 -13.951 -0.463 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.836 -14.261 0.447 1.00 0.00 C ATOM 0 H PHE A 79 -3.543 -10.092 -3.232 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.259 -9.554 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.530 -10.181 -1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.798 -9.643 0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.072 -11.169 0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.878 -12.403 -1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.412 -13.497 1.672 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.217 -14.732 -0.866 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.986 -15.285 0.757 1.00 0.00 H new ATOM 1215 N ARG A 80 -3.887 -7.146 -0.767 1.00 0.00 N ATOM 1216 CA ARG A 80 -3.706 -5.712 -0.955 1.00 0.00 C ATOM 1217 C ARG A 80 -2.804 -5.131 0.129 1.00 0.00 C ATOM 1218 O ARG A 80 -3.173 -5.094 1.303 1.00 0.00 O ATOM 1219 CB ARG A 80 -5.060 -4.999 -0.943 1.00 0.00 C ATOM 1220 CG ARG A 80 -5.098 -3.750 -1.808 1.00 0.00 C ATOM 1221 CD ARG A 80 -6.181 -2.787 -1.347 1.00 0.00 C ATOM 1222 NE ARG A 80 -6.399 -1.708 -2.307 1.00 0.00 N ATOM 1223 CZ ARG A 80 -7.243 -0.703 -2.104 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -7.943 -0.637 -0.980 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -7.387 0.241 -3.026 1.00 0.00 N ATOM 0 H ARG A 80 -4.534 -7.395 -0.019 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.229 -5.556 -1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.829 -5.692 -1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.309 -4.728 0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.129 -3.253 -1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -5.276 -4.030 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.112 -3.333 -1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.902 -2.363 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.874 -1.727 -3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.834 -1.359 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.590 0.136 -0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.849 0.195 -3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.036 1.012 -2.869 1.00 0.00 H new ATOM 1239 N TRP A 81 -1.621 -4.680 -0.272 1.00 0.00 N ATOM 1240 CA TRP A 81 -0.666 -4.101 0.666 1.00 0.00 C ATOM 1241 C TRP A 81 -0.589 -2.587 0.501 1.00 0.00 C ATOM 1242 O TRP A 81 0.014 -2.088 -0.449 1.00 0.00 O ATOM 1243 CB TRP A 81 0.718 -4.720 0.463 1.00 0.00 C ATOM 1244 CG TRP A 81 1.645 -4.496 1.620 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.335 -4.585 2.947 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.031 -4.143 1.552 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.445 -4.310 3.708 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.498 -4.036 2.877 1.00 0.00 C ATOM 1249 CE3 TRP A 81 3.922 -3.909 0.502 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 4.817 -3.704 3.175 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.231 -3.579 0.800 1.00 0.00 C ATOM 1252 CH2 TRP A 81 5.668 -3.480 2.127 1.00 0.00 C ATOM 0 H TRP A 81 -1.300 -4.704 -1.240 1.00 0.00 H new ATOM 0 HA TRP A 81 -1.010 -4.320 1.677 1.00 0.00 H new ATOM 0 HB2 TRP A 81 0.608 -5.792 0.297 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.166 -4.302 -0.439 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.361 -4.835 3.340 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.479 -4.310 4.727 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.594 -3.985 -0.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.157 -3.626 4.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 5.928 -3.394 -0.004 1.00 0.00 H new ATOM 0 HH2 TRP A 81 6.697 -3.222 2.327 1.00 0.00 H new ATOM 1263 N GLN A 82 -1.203 -1.863 1.431 1.00 0.00 N ATOM 1264 CA GLN A 82 -1.203 -0.405 1.386 1.00 0.00 C ATOM 1265 C GLN A 82 -0.280 0.172 2.454 1.00 0.00 C ATOM 1266 O GLN A 82 -0.392 -0.162 3.633 1.00 0.00 O ATOM 1267 CB GLN A 82 -2.622 0.132 1.578 1.00 0.00 C ATOM 1268 CG GLN A 82 -2.782 1.588 1.173 1.00 0.00 C ATOM 1269 CD GLN A 82 -4.207 2.082 1.320 1.00 0.00 C ATOM 1270 OE1 GLN A 82 -4.670 2.359 2.428 1.00 0.00 O ATOM 1271 NE2 GLN A 82 -4.913 2.196 0.201 1.00 0.00 N ATOM 0 H GLN A 82 -1.706 -2.261 2.224 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.835 -0.097 0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.314 -0.477 0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.905 0.022 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.123 2.205 1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.464 1.710 0.137 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.490 1.956 -0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.878 2.524 0.238 1.00 0.00 H new ATOM 1280 N VAL A 83 0.634 1.041 2.032 1.00 0.00 N ATOM 1281 CA VAL A 83 1.576 1.666 2.953 1.00 0.00 C ATOM 1282 C VAL A 83 1.359 3.174 3.022 1.00 0.00 C ATOM 1283 O VAL A 83 1.169 3.833 2.000 1.00 0.00 O ATOM 1284 CB VAL A 83 3.033 1.387 2.539 1.00 0.00 C ATOM 1285 CG1 VAL A 83 4.000 2.083 3.485 1.00 0.00 C ATOM 1286 CG2 VAL A 83 3.298 -0.110 2.499 1.00 0.00 C ATOM 0 H VAL A 83 0.742 1.328 1.059 1.00 0.00 H new ATOM 0 HA VAL A 83 1.395 1.230 3.936 1.00 0.00 H new ATOM 0 HB VAL A 83 3.191 1.788 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.024 1.874 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.825 3.158 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.845 1.716 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.332 -0.289 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.123 -0.537 3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.629 -0.579 1.777 1.00 0.00 H new ATOM 1296 N LYS A 84 1.388 3.715 4.235 1.00 0.00 N ATOM 1297 CA LYS A 84 1.196 5.145 4.441 1.00 0.00 C ATOM 1298 C LYS A 84 2.537 5.864 4.547 1.00 0.00 C ATOM 1299 O LYS A 84 3.297 5.646 5.491 1.00 0.00 O ATOM 1300 CB LYS A 84 0.371 5.394 5.705 1.00 0.00 C ATOM 1301 CG LYS A 84 -0.359 6.726 5.703 1.00 0.00 C ATOM 1302 CD LYS A 84 -1.410 6.788 6.799 1.00 0.00 C ATOM 1303 CE LYS A 84 -1.944 8.201 6.979 1.00 0.00 C ATOM 1304 NZ LYS A 84 -0.875 9.147 7.404 1.00 0.00 N ATOM 0 H LYS A 84 1.543 3.183 5.092 1.00 0.00 H new ATOM 0 HA LYS A 84 0.658 5.541 3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.357 4.591 5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.029 5.351 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.358 7.535 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.833 6.881 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.232 6.115 6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.980 6.438 7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.383 8.546 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.741 8.196 7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.308 9.988 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.255 8.681 8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.315 9.433 6.576 1.00 0.00 H new ATOM 1318 N LEU A 85 2.821 6.723 3.574 1.00 0.00 N ATOM 1319 CA LEU A 85 4.071 7.476 3.559 1.00 0.00 C ATOM 1320 C LEU A 85 3.902 8.825 4.251 1.00 0.00 C ATOM 1321 O LEU A 85 2.985 9.584 3.939 1.00 0.00 O ATOM 1322 CB LEU A 85 4.546 7.685 2.120 1.00 0.00 C ATOM 1323 CG LEU A 85 4.400 6.485 1.184 1.00 0.00 C ATOM 1324 CD1 LEU A 85 4.331 6.943 -0.264 1.00 0.00 C ATOM 1325 CD2 LEU A 85 5.551 5.510 1.383 1.00 0.00 C ATOM 0 H LEU A 85 2.203 6.916 2.786 1.00 0.00 H new ATOM 0 HA LEU A 85 4.820 6.900 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.993 8.522 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.596 7.976 2.144 1.00 0.00 H new ATOM 0 HG LEU A 85 3.470 5.971 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.227 6.075 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.472 7.601 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.244 7.481 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.430 4.662 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.494 6.012 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.554 5.156 2.414 1.00 0.00 H new ATOM 1337 N ARG A 86 4.794 9.117 5.192 1.00 0.00 N ATOM 1338 CA ARG A 86 4.745 10.375 5.928 1.00 0.00 C ATOM 1339 C ARG A 86 4.694 11.563 4.971 1.00 0.00 C ATOM 1340 O ARG A 86 3.680 12.253 4.876 1.00 0.00 O ATOM 1341 CB ARG A 86 5.960 10.500 6.849 1.00 0.00 C ATOM 1342 CG ARG A 86 5.849 9.672 8.119 1.00 0.00 C ATOM 1343 CD ARG A 86 5.163 10.450 9.232 1.00 0.00 C ATOM 1344 NE ARG A 86 5.881 11.677 9.566 1.00 0.00 N ATOM 1345 CZ ARG A 86 5.528 12.488 10.556 1.00 0.00 C ATOM 1346 NH1 ARG A 86 4.473 12.204 11.306 1.00 0.00 N ATOM 1347 NH2 ARG A 86 6.232 13.587 10.798 1.00 0.00 N ATOM 0 H ARG A 86 5.559 8.500 5.463 1.00 0.00 H new ATOM 0 HA ARG A 86 3.838 10.378 6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.852 10.194 6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.095 11.547 7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.289 8.760 7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.844 9.368 8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.146 10.697 8.928 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.087 9.822 10.119 1.00 0.00 H new ATOM 0 HE ARG A 86 6.698 11.924 9.008 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.930 11.360 11.123 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.204 12.829 12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.045 13.809 10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.960 14.210 11.559 1.00 0.00 H new ATOM 1361 N ASN A 87 5.796 11.795 4.266 1.00 0.00 N ATOM 1362 CA ASN A 87 5.877 12.900 3.317 1.00 0.00 C ATOM 1363 C ASN A 87 5.238 12.522 1.985 1.00 0.00 C ATOM 1364 O ASN A 87 4.761 11.400 1.809 1.00 0.00 O ATOM 1365 CB ASN A 87 7.336 13.306 3.099 1.00 0.00 C ATOM 1366 CG ASN A 87 7.481 14.771 2.737 1.00 0.00 C ATOM 1367 OD1 ASN A 87 7.946 15.111 1.649 1.00 0.00 O ATOM 1368 ND2 ASN A 87 7.083 15.648 3.651 1.00 0.00 N ATOM 0 H ASN A 87 6.645 11.233 4.333 1.00 0.00 H new ATOM 0 HA ASN A 87 5.330 13.745 3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.907 13.100 4.005 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.766 12.694 2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.157 16.648 3.464 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.703 15.322 4.540 1.00 0.00 H new ATOM 1375 N LEU A 88 5.232 13.465 1.049 1.00 0.00 N ATOM 1376 CA LEU A 88 4.652 13.231 -0.269 1.00 0.00 C ATOM 1377 C LEU A 88 5.647 12.523 -1.184 1.00 0.00 C ATOM 1378 O LEU A 88 6.831 12.416 -0.864 1.00 0.00 O ATOM 1379 CB LEU A 88 4.216 14.555 -0.898 1.00 0.00 C ATOM 1380 CG LEU A 88 2.801 15.025 -0.560 1.00 0.00 C ATOM 1381 CD1 LEU A 88 2.503 16.352 -1.240 1.00 0.00 C ATOM 1382 CD2 LEU A 88 1.779 13.974 -0.966 1.00 0.00 C ATOM 0 H LEU A 88 5.622 14.399 1.178 1.00 0.00 H new ATOM 0 HA LEU A 88 3.779 12.589 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.918 15.330 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.298 14.464 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 88 2.734 15.170 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.492 16.671 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.216 17.103 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.588 16.234 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.777 14.325 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.846 13.797 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.980 13.045 -0.432 1.00 0.00 H new ATOM 1394 N ILE A 89 5.158 12.044 -2.323 1.00 0.00 N ATOM 1395 CA ILE A 89 6.005 11.350 -3.285 1.00 0.00 C ATOM 1396 C ILE A 89 5.475 11.518 -4.705 1.00 0.00 C ATOM 1397 O ILE A 89 4.371 12.021 -4.910 1.00 0.00 O ATOM 1398 CB ILE A 89 6.110 9.848 -2.962 1.00 0.00 C ATOM 1399 CG1 ILE A 89 4.738 9.182 -3.080 1.00 0.00 C ATOM 1400 CG2 ILE A 89 6.686 9.646 -1.568 1.00 0.00 C ATOM 1401 CD1 ILE A 89 4.805 7.733 -3.509 1.00 0.00 C ATOM 0 H ILE A 89 4.180 12.124 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 89 6.996 11.798 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 89 6.782 9.382 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.229 9.245 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.134 9.737 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.754 8.579 -1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.680 10.091 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.037 10.123 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.796 7.325 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.286 7.664 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.382 7.164 -2.780 1.00 0.00 H new ATOM 1413 N GLU A 90 6.269 11.090 -5.682 1.00 0.00 N ATOM 1414 CA GLU A 90 5.878 11.191 -7.083 1.00 0.00 C ATOM 1415 C GLU A 90 5.695 9.807 -7.699 1.00 0.00 C ATOM 1416 O GLU A 90 6.655 9.143 -8.091 1.00 0.00 O ATOM 1417 CB GLU A 90 6.926 11.978 -7.872 1.00 0.00 C ATOM 1418 CG GLU A 90 6.658 13.473 -7.918 1.00 0.00 C ATOM 1419 CD GLU A 90 5.404 13.816 -8.700 1.00 0.00 C ATOM 1420 OE1 GLU A 90 4.296 13.651 -8.148 1.00 0.00 O ATOM 1421 OE2 GLU A 90 5.532 14.251 -9.864 1.00 0.00 O ATOM 0 H GLU A 90 7.186 10.670 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 90 4.926 11.719 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.907 11.807 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.966 11.593 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.563 13.853 -6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.512 13.978 -8.368 1.00 0.00 H new ATOM 1428 N PRO A 91 4.433 9.360 -7.785 1.00 0.00 N ATOM 1429 CA PRO A 91 4.094 8.052 -8.352 1.00 0.00 C ATOM 1430 C PRO A 91 4.321 7.996 -9.859 1.00 0.00 C ATOM 1431 O PRO A 91 4.305 6.921 -10.458 1.00 0.00 O ATOM 1432 CB PRO A 91 2.605 7.901 -8.030 1.00 0.00 C ATOM 1433 CG PRO A 91 2.101 9.297 -7.904 1.00 0.00 C ATOM 1434 CD PRO A 91 3.241 10.099 -7.337 1.00 0.00 C ATOM 0 HA PRO A 91 4.716 7.257 -7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 91 2.082 7.361 -8.819 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.454 7.341 -7.107 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.792 9.689 -8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.230 9.340 -7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.238 11.122 -7.712 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.190 10.158 -6.250 1.00 0.00 H new ATOM 1442 N GLU A 92 4.533 9.160 -10.464 1.00 0.00 N ATOM 1443 CA GLU A 92 4.763 9.242 -11.902 1.00 0.00 C ATOM 1444 C GLU A 92 6.137 8.687 -12.265 1.00 0.00 C ATOM 1445 O GLU A 92 6.393 8.344 -13.419 1.00 0.00 O ATOM 1446 CB GLU A 92 4.644 10.691 -12.378 1.00 0.00 C ATOM 1447 CG GLU A 92 3.213 11.129 -12.643 1.00 0.00 C ATOM 1448 CD GLU A 92 3.130 12.304 -13.597 1.00 0.00 C ATOM 1449 OE1 GLU A 92 4.123 13.053 -13.706 1.00 0.00 O ATOM 1450 OE2 GLU A 92 2.070 12.475 -14.236 1.00 0.00 O ATOM 0 H GLU A 92 4.550 10.059 -9.982 1.00 0.00 H new ATOM 0 HA GLU A 92 4.003 8.640 -12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.083 11.348 -11.628 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.228 10.814 -13.290 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.651 10.291 -13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.739 11.398 -11.699 1.00 0.00 H new ATOM 1457 N GLN A 93 7.016 8.603 -11.272 1.00 0.00 N ATOM 1458 CA GLN A 93 8.365 8.091 -11.488 1.00 0.00 C ATOM 1459 C GLN A 93 8.520 6.697 -10.888 1.00 0.00 C ATOM 1460 O GLN A 93 9.355 5.909 -11.334 1.00 0.00 O ATOM 1461 CB GLN A 93 9.397 9.040 -10.876 1.00 0.00 C ATOM 1462 CG GLN A 93 8.932 10.486 -10.815 1.00 0.00 C ATOM 1463 CD GLN A 93 8.083 10.878 -12.008 1.00 0.00 C ATOM 1464 OE1 GLN A 93 8.173 10.269 -13.075 1.00 0.00 O ATOM 1465 NE2 GLN A 93 7.252 11.898 -11.834 1.00 0.00 N ATOM 0 H GLN A 93 6.819 8.882 -10.311 1.00 0.00 H new ATOM 0 HA GLN A 93 8.534 8.025 -12.563 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.637 8.701 -9.868 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.317 8.987 -11.458 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.360 10.641 -9.900 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.802 11.141 -10.762 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.210 12.374 -10.933 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.655 12.206 -12.602 1.00 0.00 H new ATOM 1474 N CYS A 94 7.712 6.400 -9.877 1.00 0.00 N ATOM 1475 CA CYS A 94 7.761 5.101 -9.215 1.00 0.00 C ATOM 1476 C CYS A 94 7.709 3.969 -10.236 1.00 0.00 C ATOM 1477 O CYS A 94 7.386 4.185 -11.405 1.00 0.00 O ATOM 1478 CB CYS A 94 6.602 4.966 -8.226 1.00 0.00 C ATOM 1479 SG CYS A 94 6.808 5.931 -6.711 1.00 0.00 S ATOM 0 H CYS A 94 7.015 7.041 -9.497 1.00 0.00 H new ATOM 0 HA CYS A 94 8.703 5.032 -8.671 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.680 5.276 -8.719 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.485 3.915 -7.962 1.00 0.00 H new ATOM 0 HG CYS A 94 6.783 7.199 -6.997 1.00 0.00 H new ATOM 1485 N THR A 95 8.031 2.760 -9.787 1.00 0.00 N ATOM 1486 CA THR A 95 8.025 1.593 -10.662 1.00 0.00 C ATOM 1487 C THR A 95 7.933 0.303 -9.856 1.00 0.00 C ATOM 1488 O THR A 95 8.503 0.195 -8.770 1.00 0.00 O ATOM 1489 CB THR A 95 9.286 1.546 -11.544 1.00 0.00 C ATOM 1490 OG1 THR A 95 10.454 1.428 -10.724 1.00 0.00 O ATOM 1491 CG2 THR A 95 9.391 2.795 -12.407 1.00 0.00 C ATOM 0 H THR A 95 8.299 2.563 -8.823 1.00 0.00 H new ATOM 0 HA THR A 95 7.147 1.682 -11.302 1.00 0.00 H new ATOM 0 HB THR A 95 9.212 0.677 -12.198 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.251 1.397 -11.293 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.290 2.738 -13.021 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.515 2.867 -13.052 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.444 3.676 -11.767 1.00 0.00 H new ATOM 1499 N PHE A 96 7.214 -0.676 -10.395 1.00 0.00 N ATOM 1500 CA PHE A 96 7.047 -1.961 -9.725 1.00 0.00 C ATOM 1501 C PHE A 96 7.434 -3.110 -10.650 1.00 0.00 C ATOM 1502 O PHE A 96 6.925 -3.221 -11.766 1.00 0.00 O ATOM 1503 CB PHE A 96 5.601 -2.132 -9.256 1.00 0.00 C ATOM 1504 CG PHE A 96 4.672 -2.601 -10.339 1.00 0.00 C ATOM 1505 CD1 PHE A 96 4.557 -3.949 -10.637 1.00 0.00 C ATOM 1506 CD2 PHE A 96 3.913 -1.693 -11.060 1.00 0.00 C ATOM 1507 CE1 PHE A 96 3.702 -4.384 -11.632 1.00 0.00 C ATOM 1508 CE2 PHE A 96 3.057 -2.121 -12.057 1.00 0.00 C ATOM 1509 CZ PHE A 96 2.952 -3.468 -12.344 1.00 0.00 C ATOM 0 H PHE A 96 6.737 -0.604 -11.294 1.00 0.00 H new ATOM 0 HA PHE A 96 7.706 -1.979 -8.857 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.576 -2.846 -8.433 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.239 -1.181 -8.864 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.143 -4.669 -10.085 1.00 0.00 H new ATOM 0 HD2 PHE A 96 3.991 -0.639 -10.840 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.620 -5.438 -11.852 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.471 -1.403 -12.611 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.285 -3.805 -13.124 1.00 0.00 H new ATOM 1519 N CYS A 97 8.337 -3.963 -10.179 1.00 0.00 N ATOM 1520 CA CYS A 97 8.794 -5.104 -10.964 1.00 0.00 C ATOM 1521 C CYS A 97 9.189 -6.265 -10.057 1.00 0.00 C ATOM 1522 O CYS A 97 9.995 -6.104 -9.141 1.00 0.00 O ATOM 1523 CB CYS A 97 9.979 -4.703 -11.844 1.00 0.00 C ATOM 1524 SG CYS A 97 9.520 -3.750 -13.310 1.00 0.00 S ATOM 0 H CYS A 97 8.767 -3.886 -9.257 1.00 0.00 H new ATOM 0 HA CYS A 97 7.971 -5.428 -11.601 1.00 0.00 H new ATOM 0 HB2 CYS A 97 10.679 -4.118 -11.248 1.00 0.00 H new ATOM 0 HB3 CYS A 97 10.505 -5.604 -12.159 1.00 0.00 H new ATOM 0 HG CYS A 97 8.334 -3.244 -13.145 1.00 0.00 H new ATOM 1530 N PHE A 98 8.614 -7.434 -10.317 1.00 0.00 N ATOM 1531 CA PHE A 98 8.903 -8.622 -9.522 1.00 0.00 C ATOM 1532 C PHE A 98 10.306 -9.145 -9.817 1.00 0.00 C ATOM 1533 O PHE A 98 10.872 -8.877 -10.877 1.00 0.00 O ATOM 1534 CB PHE A 98 7.870 -9.715 -9.805 1.00 0.00 C ATOM 1535 CG PHE A 98 6.450 -9.227 -9.748 1.00 0.00 C ATOM 1536 CD1 PHE A 98 5.876 -8.598 -10.840 1.00 0.00 C ATOM 1537 CD2 PHE A 98 5.691 -9.397 -8.602 1.00 0.00 C ATOM 1538 CE1 PHE A 98 4.570 -8.148 -10.791 1.00 0.00 C ATOM 1539 CE2 PHE A 98 4.384 -8.950 -8.547 1.00 0.00 C ATOM 1540 CZ PHE A 98 3.824 -8.323 -9.643 1.00 0.00 C ATOM 0 H PHE A 98 7.945 -7.584 -11.072 1.00 0.00 H new ATOM 0 HA PHE A 98 8.850 -8.346 -8.469 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.061 -10.138 -10.791 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.998 -10.521 -9.082 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.456 -8.457 -11.740 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.125 -9.884 -7.742 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.134 -7.660 -11.650 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.802 -9.091 -7.648 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.804 -7.970 -9.602 1.00 0.00 H new ATOM 1550 N THR A 99 10.864 -9.892 -8.869 1.00 0.00 N ATOM 1551 CA THR A 99 12.200 -10.452 -9.025 1.00 0.00 C ATOM 1552 C THR A 99 12.195 -11.960 -8.802 1.00 0.00 C ATOM 1553 O THR A 99 11.138 -12.568 -8.637 1.00 0.00 O ATOM 1554 CB THR A 99 13.198 -9.804 -8.046 1.00 0.00 C ATOM 1555 OG1 THR A 99 13.281 -10.580 -6.845 1.00 0.00 O ATOM 1556 CG2 THR A 99 12.777 -8.381 -7.708 1.00 0.00 C ATOM 0 H THR A 99 10.411 -10.123 -7.985 1.00 0.00 H new ATOM 0 HA THR A 99 12.513 -10.240 -10.047 1.00 0.00 H new ATOM 0 HB THR A 99 14.176 -9.773 -8.526 1.00 0.00 H new ATOM 0 HG1 THR A 99 14.098 -11.121 -6.861 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.496 -7.944 -7.016 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.743 -7.785 -8.620 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.790 -8.394 -7.246 1.00 0.00 H new ATOM 1564 N ALA A 100 13.382 -12.557 -8.798 1.00 0.00 N ATOM 1565 CA ALA A 100 13.514 -13.994 -8.593 1.00 0.00 C ATOM 1566 C ALA A 100 12.544 -14.487 -7.523 1.00 0.00 C ATOM 1567 O ALA A 100 11.532 -15.116 -7.832 1.00 0.00 O ATOM 1568 CB ALA A 100 14.945 -14.344 -8.212 1.00 0.00 C ATOM 0 H ALA A 100 14.266 -12.068 -8.934 1.00 0.00 H new ATOM 0 HA ALA A 100 13.267 -14.494 -9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.029 -15.420 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.620 -14.035 -9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.213 -13.827 -7.290 1.00 0.00 H new ATOM 1574 N SER A 101 12.861 -14.198 -6.265 1.00 0.00 N ATOM 1575 CA SER A 101 12.020 -14.616 -5.150 1.00 0.00 C ATOM 1576 C SER A 101 11.618 -13.419 -4.294 1.00 0.00 C ATOM 1577 O SER A 101 11.249 -13.570 -3.130 1.00 0.00 O ATOM 1578 CB SER A 101 12.752 -15.648 -4.290 1.00 0.00 C ATOM 1579 OG SER A 101 14.091 -15.252 -4.047 1.00 0.00 O ATOM 0 H SER A 101 13.694 -13.676 -5.993 1.00 0.00 H new ATOM 0 HA SER A 101 11.117 -15.069 -5.559 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.229 -15.773 -3.342 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.741 -16.616 -4.790 1.00 0.00 H new ATOM 0 HG SER A 101 14.537 -15.927 -3.494 1.00 0.00 H new ATOM 1585 N ARG A 102 11.692 -12.228 -4.881 1.00 0.00 N ATOM 1586 CA ARG A 102 11.338 -11.004 -4.173 1.00 0.00 C ATOM 1587 C ARG A 102 10.800 -9.954 -5.140 1.00 0.00 C ATOM 1588 O ARG A 102 10.948 -10.081 -6.356 1.00 0.00 O ATOM 1589 CB ARG A 102 12.553 -10.451 -3.427 1.00 0.00 C ATOM 1590 CG ARG A 102 13.558 -9.756 -4.330 1.00 0.00 C ATOM 1591 CD ARG A 102 14.442 -8.798 -3.547 1.00 0.00 C ATOM 1592 NE ARG A 102 15.516 -8.248 -4.370 1.00 0.00 N ATOM 1593 CZ ARG A 102 16.613 -8.923 -4.694 1.00 0.00 C ATOM 1594 NH1 ARG A 102 16.780 -10.168 -4.268 1.00 0.00 N ATOM 1595 NH2 ARG A 102 17.546 -8.354 -5.446 1.00 0.00 N ATOM 0 H ARG A 102 11.994 -12.085 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 102 10.557 -11.244 -3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.213 -9.747 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 102 13.051 -11.268 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.179 -10.502 -4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 102 13.030 -9.209 -5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.834 -7.984 -3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.871 -9.318 -2.691 1.00 0.00 H new ATOM 0 HE ARG A 102 15.418 -7.293 -4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 102 16.065 -10.609 -3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.624 -10.684 -4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.421 -7.397 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.388 -8.874 -5.694 1.00 0.00 H new ATOM 1609 N ILE A 103 10.174 -8.917 -4.592 1.00 0.00 N ATOM 1610 CA ILE A 103 9.615 -7.845 -5.406 1.00 0.00 C ATOM 1611 C ILE A 103 10.378 -6.542 -5.198 1.00 0.00 C ATOM 1612 O ILE A 103 10.750 -6.201 -4.075 1.00 0.00 O ATOM 1613 CB ILE A 103 8.126 -7.613 -5.085 1.00 0.00 C ATOM 1614 CG1 ILE A 103 7.395 -8.950 -4.955 1.00 0.00 C ATOM 1615 CG2 ILE A 103 7.481 -6.752 -6.160 1.00 0.00 C ATOM 1616 CD1 ILE A 103 6.109 -8.861 -4.164 1.00 0.00 C ATOM 0 H ILE A 103 10.042 -8.797 -3.588 1.00 0.00 H new ATOM 0 HA ILE A 103 9.710 -8.156 -6.446 1.00 0.00 H new ATOM 0 HB ILE A 103 8.052 -7.087 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.173 -9.332 -5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.057 -9.672 -4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.429 -6.597 -5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.988 -5.788 -6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.562 -7.253 -7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.645 -9.846 -4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.326 -8.509 -3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.428 -8.164 -4.653 1.00 0.00 H new ATOM 1628 N ASP A 104 10.606 -5.816 -6.287 1.00 0.00 N ATOM 1629 CA ASP A 104 11.322 -4.547 -6.224 1.00 0.00 C ATOM 1630 C ASP A 104 10.393 -3.382 -6.550 1.00 0.00 C ATOM 1631 O ASP A 104 9.753 -3.361 -7.602 1.00 0.00 O ATOM 1632 CB ASP A 104 12.506 -4.558 -7.192 1.00 0.00 C ATOM 1633 CG ASP A 104 13.776 -5.079 -6.547 1.00 0.00 C ATOM 1634 OD1 ASP A 104 13.921 -4.930 -5.316 1.00 0.00 O ATOM 1635 OD2 ASP A 104 14.624 -5.636 -7.275 1.00 0.00 O ATOM 0 H ASP A 104 10.305 -6.084 -7.224 1.00 0.00 H new ATOM 0 HA ASP A 104 11.694 -4.417 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.260 -5.176 -8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.678 -3.547 -7.563 1.00 0.00 H new ATOM 1640 N ILE A 105 10.324 -2.415 -5.641 1.00 0.00 N ATOM 1641 CA ILE A 105 9.474 -1.247 -5.832 1.00 0.00 C ATOM 1642 C ILE A 105 10.251 0.043 -5.597 1.00 0.00 C ATOM 1643 O ILE A 105 10.599 0.372 -4.462 1.00 0.00 O ATOM 1644 CB ILE A 105 8.255 -1.278 -4.891 1.00 0.00 C ATOM 1645 CG1 ILE A 105 7.406 -2.522 -5.160 1.00 0.00 C ATOM 1646 CG2 ILE A 105 7.423 -0.016 -5.060 1.00 0.00 C ATOM 1647 CD1 ILE A 105 6.677 -3.033 -3.937 1.00 0.00 C ATOM 0 H ILE A 105 10.847 -2.418 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 105 9.126 -1.275 -6.865 1.00 0.00 H new ATOM 0 HB ILE A 105 8.611 -1.320 -3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.678 -2.293 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 105 8.048 -3.313 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.565 -0.053 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.032 0.856 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.074 0.055 -6.090 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.096 -3.916 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.401 -3.294 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.009 -2.258 -3.561 1.00 0.00 H new ATOM 1659 N CYS A 106 10.518 0.771 -6.675 1.00 0.00 N ATOM 1660 CA CYS A 106 11.254 2.028 -6.587 1.00 0.00 C ATOM 1661 C CYS A 106 10.313 3.188 -6.276 1.00 0.00 C ATOM 1662 O CYS A 106 9.448 3.532 -7.082 1.00 0.00 O ATOM 1663 CB CYS A 106 12.002 2.298 -7.893 1.00 0.00 C ATOM 1664 SG CYS A 106 13.534 3.236 -7.686 1.00 0.00 S ATOM 0 H CYS A 106 10.236 0.513 -7.621 1.00 0.00 H new ATOM 0 HA CYS A 106 11.976 1.942 -5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 106 12.233 1.346 -8.370 1.00 0.00 H new ATOM 0 HB3 CYS A 106 11.344 2.842 -8.570 1.00 0.00 H new ATOM 0 HG CYS A 106 14.095 3.412 -8.845 1.00 0.00 H new ATOM 1670 N LEU A 107 10.488 3.786 -5.103 1.00 0.00 N ATOM 1671 CA LEU A 107 9.654 4.907 -4.684 1.00 0.00 C ATOM 1672 C LEU A 107 10.429 6.219 -4.756 1.00 0.00 C ATOM 1673 O LEU A 107 11.456 6.381 -4.098 1.00 0.00 O ATOM 1674 CB LEU A 107 9.140 4.682 -3.261 1.00 0.00 C ATOM 1675 CG LEU A 107 8.103 3.572 -3.089 1.00 0.00 C ATOM 1676 CD1 LEU A 107 8.189 2.972 -1.695 1.00 0.00 C ATOM 1677 CD2 LEU A 107 6.703 4.104 -3.357 1.00 0.00 C ATOM 0 H LEU A 107 11.200 3.514 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 107 8.805 4.970 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.992 4.458 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.707 5.615 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 107 8.317 2.786 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.443 2.184 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.183 2.553 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 107 8.002 3.748 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.978 3.300 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.479 4.909 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.648 4.485 -4.377 1.00 0.00 H new ATOM 1689 N ARG A 108 9.928 7.153 -5.558 1.00 0.00 N ATOM 1690 CA ARG A 108 10.572 8.451 -5.714 1.00 0.00 C ATOM 1691 C ARG A 108 9.879 9.509 -4.861 1.00 0.00 C ATOM 1692 O ARG A 108 8.663 9.688 -4.941 1.00 0.00 O ATOM 1693 CB ARG A 108 10.559 8.877 -7.184 1.00 0.00 C ATOM 1694 CG ARG A 108 11.016 10.309 -7.407 1.00 0.00 C ATOM 1695 CD ARG A 108 12.492 10.480 -7.087 1.00 0.00 C ATOM 1696 NE ARG A 108 13.344 10.090 -8.207 1.00 0.00 N ATOM 1697 CZ ARG A 108 13.789 8.852 -8.395 1.00 0.00 C ATOM 1698 NH1 ARG A 108 13.464 7.890 -7.543 1.00 0.00 N ATOM 1699 NH2 ARG A 108 14.560 8.575 -9.439 1.00 0.00 N ATOM 0 H ARG A 108 9.078 7.035 -6.110 1.00 0.00 H new ATOM 0 HA ARG A 108 11.605 8.358 -5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.202 8.206 -7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.549 8.761 -7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.832 10.593 -8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.427 10.981 -6.783 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.688 11.520 -6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.745 9.880 -6.213 1.00 0.00 H new ATOM 0 HE ARG A 108 13.612 10.807 -8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.871 8.099 -6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.807 6.941 -7.690 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.811 9.312 -10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.901 7.625 -9.583 1.00 0.00 H new ATOM 1713 N LYS A 109 10.659 10.208 -4.044 1.00 0.00 N ATOM 1714 CA LYS A 109 10.122 11.248 -3.176 1.00 0.00 C ATOM 1715 C LYS A 109 10.250 12.621 -3.828 1.00 0.00 C ATOM 1716 O LYS A 109 10.982 12.789 -4.804 1.00 0.00 O ATOM 1717 CB LYS A 109 10.849 11.243 -1.829 1.00 0.00 C ATOM 1718 CG LYS A 109 10.897 9.876 -1.169 1.00 0.00 C ATOM 1719 CD LYS A 109 11.493 9.950 0.227 1.00 0.00 C ATOM 1720 CE LYS A 109 12.993 10.199 0.179 1.00 0.00 C ATOM 1721 NZ LYS A 109 13.614 10.101 1.529 1.00 0.00 N ATOM 0 H LYS A 109 11.667 10.073 -3.965 1.00 0.00 H new ATOM 0 HA LYS A 109 9.065 11.039 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 109 11.868 11.603 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 109 10.355 11.945 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 109 9.890 9.462 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.488 9.196 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.008 10.748 0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.294 9.019 0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.460 9.476 -0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.184 11.188 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.636 10.277 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.186 10.808 2.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.454 9.149 1.917 1.00 0.00 H new