USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 668 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 81 TYR OH : rot -163:sc= 0.658 USER MOD Set 1.2: A 86 HIS : no HD1:sc= -0.128 X(o=0.53,f=0.66) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -123:sc= 0.0913 (180deg=0) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.159 USER MOD Set 3.1: A 43 TYR OH : rot 77:sc= 0.00178 USER MOD Set 3.2: A 64 MET CE :methyl -146:sc= -0.0261 (180deg=-1.4) USER MOD Set 3.3: A 80 GLN : amide:sc= 0.00258 K(o=-0.022,f=-0.79) USER MOD Set 4.1: A 33 TYR OH : rot 180:sc= 0.256 USER MOD Set 4.2: A 42 GLN : amide:sc= 0.331 X(o=0.59,f=0.7) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -72:sc= 0.665 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 1.3 (180deg=0.795) USER MOD Single : A 61 ASN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.287 X(o=0.29,f=-0.0011) USER MOD Single : A 78 MET CE :methyl 167:sc= -0.392 (180deg=-0.763) USER MOD Single : A 84 ASN : amide:sc= 0.993 K(o=0.99,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -178:sc= 0.613 (180deg=0.612) USER MOD Single : A 93 LYS NZ :NH3+ 161:sc= 1.15 (180deg=0.865) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 -12.370 8.538 9.317 1.00 0.00 N ATOM 175 CA LEU A 14 -11.213 9.237 9.879 1.00 0.00 C ATOM 176 C LEU A 14 -10.547 10.166 8.843 1.00 0.00 C ATOM 177 O LEU A 14 -9.609 10.891 9.183 1.00 0.00 O ATOM 178 CB LEU A 14 -10.223 8.183 10.413 1.00 0.00 C ATOM 179 CG LEU A 14 -10.859 7.149 11.382 1.00 0.00 C ATOM 180 CD1 LEU A 14 -10.772 5.734 10.792 1.00 0.00 C ATOM 181 CD2 LEU A 14 -10.175 7.187 12.754 1.00 0.00 C ATOM 0 HA LEU A 14 -11.540 9.881 10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.784 7.651 9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.408 8.693 10.927 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.908 7.415 11.512 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.222 5.023 11.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.305 5.703 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.727 5.471 10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.640 6.453 13.413 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.117 6.953 12.640 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.282 8.182 13.186 1.00 0.00 H new ATOM 193 N LEU A 15 -11.016 10.143 7.586 1.00 0.00 N ATOM 194 CA LEU A 15 -10.452 10.903 6.464 1.00 0.00 C ATOM 195 C LEU A 15 -11.136 12.265 6.264 1.00 0.00 C ATOM 196 O LEU A 15 -12.053 12.662 6.985 1.00 0.00 O ATOM 197 CB LEU A 15 -10.516 10.077 5.158 1.00 0.00 C ATOM 198 CG LEU A 15 -10.020 8.618 5.235 1.00 0.00 C ATOM 199 CD1 LEU A 15 -10.097 7.989 3.836 1.00 0.00 C ATOM 200 CD2 LEU A 15 -8.585 8.512 5.773 1.00 0.00 C ATOM 0 H LEU A 15 -11.821 9.578 7.316 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.410 11.101 6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.550 10.067 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.931 10.596 4.399 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.664 8.084 5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.748 6.957 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.129 8.008 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.469 8.555 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.286 7.464 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.909 9.062 5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.541 8.935 6.777 1.00 0.00 H new ATOM 212 N SER A 16 -10.688 12.967 5.231 1.00 0.00 N ATOM 213 CA SER A 16 -11.176 14.263 4.778 1.00 0.00 C ATOM 214 C SER A 16 -12.244 14.134 3.677 1.00 0.00 C ATOM 215 O SER A 16 -12.232 13.159 2.915 1.00 0.00 O ATOM 216 CB SER A 16 -9.968 15.027 4.231 1.00 0.00 C ATOM 217 OG SER A 16 -9.134 15.504 5.278 1.00 0.00 O ATOM 0 H SER A 16 -9.924 12.623 4.649 1.00 0.00 H new ATOM 0 HA SER A 16 -11.647 14.782 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.392 14.376 3.574 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.311 15.867 3.627 1.00 0.00 H new ATOM 0 HG SER A 16 -8.371 15.986 4.895 1.00 0.00 H new ATOM 223 N PRO A 17 -13.113 15.152 3.508 1.00 0.00 N ATOM 224 CA PRO A 17 -14.126 15.192 2.454 1.00 0.00 C ATOM 225 C PRO A 17 -13.525 15.149 1.042 1.00 0.00 C ATOM 226 O PRO A 17 -14.195 14.718 0.110 1.00 0.00 O ATOM 227 CB PRO A 17 -14.922 16.478 2.702 1.00 0.00 C ATOM 228 CG PRO A 17 -13.920 17.389 3.412 1.00 0.00 C ATOM 229 CD PRO A 17 -13.095 16.409 4.242 1.00 0.00 C ATOM 0 HA PRO A 17 -14.763 14.308 2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -15.273 16.918 1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.802 16.293 3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.301 17.938 2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.420 18.128 4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.075 16.770 4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.520 16.286 5.238 1.00 0.00 H new ATOM 237 N GLU A 18 -12.252 15.535 0.888 1.00 0.00 N ATOM 238 CA GLU A 18 -11.526 15.517 -0.387 1.00 0.00 C ATOM 239 C GLU A 18 -10.847 14.164 -0.682 1.00 0.00 C ATOM 240 O GLU A 18 -10.417 13.931 -1.810 1.00 0.00 O ATOM 241 CB GLU A 18 -10.476 16.645 -0.404 1.00 0.00 C ATOM 242 CG GLU A 18 -11.043 18.017 -0.008 1.00 0.00 C ATOM 243 CD GLU A 18 -10.013 19.130 -0.249 1.00 0.00 C ATOM 244 OE1 GLU A 18 -9.179 19.393 0.650 1.00 0.00 O ATOM 245 OE2 GLU A 18 -10.033 19.756 -1.335 1.00 0.00 O ATOM 0 H GLU A 18 -11.686 15.876 1.665 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.265 15.674 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.665 16.386 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.044 16.714 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.946 18.221 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.332 18.005 1.043 1.00 0.00 H new ATOM 252 N GLU A 19 -10.767 13.262 0.304 1.00 0.00 N ATOM 253 CA GLU A 19 -10.230 11.905 0.160 1.00 0.00 C ATOM 254 C GLU A 19 -11.329 10.930 -0.262 1.00 0.00 C ATOM 255 O GLU A 19 -11.189 10.187 -1.234 1.00 0.00 O ATOM 256 CB GLU A 19 -9.660 11.425 1.503 1.00 0.00 C ATOM 257 CG GLU A 19 -8.295 12.019 1.846 1.00 0.00 C ATOM 258 CD GLU A 19 -7.193 11.592 0.862 1.00 0.00 C ATOM 259 OE1 GLU A 19 -6.892 10.379 0.770 1.00 0.00 O ATOM 260 OE2 GLU A 19 -6.610 12.472 0.186 1.00 0.00 O ATOM 0 H GLU A 19 -11.084 13.463 1.252 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.450 11.932 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.364 11.677 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.578 10.338 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.369 13.106 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.014 11.713 2.854 1.00 0.00 H new ATOM 267 N LEU A 20 -12.440 10.952 0.473 1.00 0.00 N ATOM 268 CA LEU A 20 -13.598 10.076 0.289 1.00 0.00 C ATOM 269 C LEU A 20 -14.208 10.278 -1.099 1.00 0.00 C ATOM 270 O LEU A 20 -14.413 9.319 -1.842 1.00 0.00 O ATOM 271 CB LEU A 20 -14.633 10.404 1.377 1.00 0.00 C ATOM 272 CG LEU A 20 -14.085 10.295 2.817 1.00 0.00 C ATOM 273 CD1 LEU A 20 -14.816 11.315 3.690 1.00 0.00 C ATOM 274 CD2 LEU A 20 -14.208 8.864 3.353 1.00 0.00 C ATOM 0 H LEU A 20 -12.564 11.607 1.245 1.00 0.00 H new ATOM 0 HA LEU A 20 -13.288 9.034 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.006 11.416 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.483 9.730 1.271 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.019 10.523 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.442 11.253 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.643 12.318 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.885 11.102 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.814 8.821 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.257 8.566 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.641 8.186 2.714 1.00 0.00 H new ATOM 286 N LYS A 21 -14.434 11.541 -1.476 1.00 0.00 N ATOM 287 CA LYS A 21 -14.942 11.894 -2.814 1.00 0.00 C ATOM 288 C LYS A 21 -13.958 11.536 -3.948 1.00 0.00 C ATOM 289 O LYS A 21 -14.400 11.217 -5.052 1.00 0.00 O ATOM 290 CB LYS A 21 -15.336 13.383 -2.853 1.00 0.00 C ATOM 291 CG LYS A 21 -16.758 13.690 -2.343 1.00 0.00 C ATOM 292 CD LYS A 21 -17.112 13.090 -0.972 1.00 0.00 C ATOM 293 CE LYS A 21 -18.400 13.687 -0.381 1.00 0.00 C ATOM 294 NZ LYS A 21 -19.613 13.327 -1.163 1.00 0.00 N ATOM 0 H LYS A 21 -14.273 12.345 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.830 11.289 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.621 13.949 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.248 13.741 -3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.881 14.772 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.476 13.324 -3.077 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.228 12.011 -1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.286 13.260 -0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.519 13.340 0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.307 14.772 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.451 13.755 -0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.516 13.681 -2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.721 12.293 -1.180 1.00 0.00 H new ATOM 308 N ALA A 22 -12.645 11.518 -3.683 1.00 0.00 N ATOM 309 CA ALA A 22 -11.624 11.092 -4.648 1.00 0.00 C ATOM 310 C ALA A 22 -11.581 9.560 -4.808 1.00 0.00 C ATOM 311 O ALA A 22 -11.545 9.060 -5.934 1.00 0.00 O ATOM 312 CB ALA A 22 -10.264 11.668 -4.223 1.00 0.00 C ATOM 0 H ALA A 22 -12.258 11.802 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.882 11.482 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.499 11.357 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.320 12.756 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.007 11.300 -3.230 1.00 0.00 H new ATOM 391 N GLU A 29 -13.143 1.785 -2.187 1.00 0.00 N ATOM 392 CA GLU A 29 -12.285 0.850 -1.447 1.00 0.00 C ATOM 393 C GLU A 29 -10.794 1.197 -1.563 1.00 0.00 C ATOM 394 O GLU A 29 -10.432 2.185 -2.197 1.00 0.00 O ATOM 395 CB GLU A 29 -12.542 -0.580 -1.945 1.00 0.00 C ATOM 396 CG GLU A 29 -13.040 -1.512 -0.830 1.00 0.00 C ATOM 397 CD GLU A 29 -14.345 -1.025 -0.174 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.391 -0.953 -0.861 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.332 -0.731 1.044 1.00 0.00 O ATOM 0 HA GLU A 29 -12.542 0.930 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.278 -0.554 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.623 -0.984 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.197 -2.509 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.267 -1.600 -0.066 1.00 0.00 H new ATOM 406 N TYR A 30 -9.930 0.366 -0.962 1.00 0.00 N ATOM 407 CA TYR A 30 -8.467 0.501 -0.939 1.00 0.00 C ATOM 408 C TYR A 30 -7.768 -0.731 -0.343 1.00 0.00 C ATOM 409 O TYR A 30 -8.319 -1.423 0.517 1.00 0.00 O ATOM 410 CB TYR A 30 -8.050 1.754 -0.159 1.00 0.00 C ATOM 411 CG TYR A 30 -8.339 1.667 1.329 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.660 1.803 1.800 1.00 0.00 C ATOM 413 CD2 TYR A 30 -7.296 1.374 2.232 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.937 1.683 3.175 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.568 1.244 3.607 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.889 1.407 4.085 1.00 0.00 C ATOM 417 OH TYR A 30 -9.146 1.285 5.417 1.00 0.00 O ATOM 0 H TYR A 30 -10.249 -0.459 -0.454 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.150 0.591 -1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.983 1.924 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.570 2.619 -0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.462 2.000 1.104 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.287 1.249 1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.948 1.801 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.768 1.020 4.297 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.312 1.094 5.895 1.00 0.00 H new ATOM 427 N ALA A 31 -6.532 -0.972 -0.781 1.00 0.00 N ATOM 428 CA ALA A 31 -5.656 -2.038 -0.302 1.00 0.00 C ATOM 429 C ALA A 31 -4.178 -1.694 -0.537 1.00 0.00 C ATOM 430 O ALA A 31 -3.840 -0.908 -1.424 1.00 0.00 O ATOM 431 CB ALA A 31 -6.042 -3.349 -1.005 1.00 0.00 C ATOM 0 H ALA A 31 -6.097 -0.406 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.784 -2.154 0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.395 -4.153 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.079 -3.593 -0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.926 -3.232 -2.082 1.00 0.00 H new ATOM 437 N TRP A 32 -3.305 -2.326 0.244 1.00 0.00 N ATOM 438 CA TRP A 32 -1.854 -2.315 0.044 1.00 0.00 C ATOM 439 C TRP A 32 -1.370 -3.708 -0.375 1.00 0.00 C ATOM 440 O TRP A 32 -1.923 -4.731 0.041 1.00 0.00 O ATOM 441 CB TRP A 32 -1.141 -1.837 1.318 1.00 0.00 C ATOM 442 CG TRP A 32 -1.246 -0.373 1.615 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.377 0.283 1.961 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.191 0.641 1.583 1.00 0.00 C ATOM 445 NE1 TRP A 32 -2.103 1.622 2.136 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.766 1.895 1.955 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.192 0.632 1.283 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -0.006 3.069 2.050 1.00 0.00 C ATOM 449 CZ3 TRP A 32 1.958 1.814 1.366 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.364 3.026 1.759 1.00 0.00 C ATOM 0 H TRP A 32 -3.592 -2.874 1.055 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.610 -1.616 -0.756 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.544 -2.390 2.166 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.085 -2.098 1.240 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.348 -0.174 2.082 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.804 2.324 2.371 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.667 -0.291 0.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.472 3.998 2.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.011 1.787 1.125 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.962 3.922 1.836 1.00 0.00 H new ATOM 461 N TYR A 33 -0.294 -3.744 -1.161 1.00 0.00 N ATOM 462 CA TYR A 33 0.351 -4.966 -1.647 1.00 0.00 C ATOM 463 C TYR A 33 1.880 -4.881 -1.530 1.00 0.00 C ATOM 464 O TYR A 33 2.457 -3.793 -1.535 1.00 0.00 O ATOM 465 CB TYR A 33 -0.041 -5.224 -3.114 1.00 0.00 C ATOM 466 CG TYR A 33 -1.473 -5.662 -3.360 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.524 -4.725 -3.318 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.746 -7.005 -3.687 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.848 -5.133 -3.566 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.067 -7.417 -3.948 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.123 -6.481 -3.881 1.00 0.00 C ATOM 472 OH TYR A 33 -5.405 -6.872 -4.121 1.00 0.00 O ATOM 0 H TYR A 33 0.169 -2.896 -1.488 1.00 0.00 H new ATOM 0 HA TYR A 33 0.007 -5.792 -1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.140 -4.312 -3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.624 -5.988 -3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.313 -3.690 -3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.939 -7.721 -3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.653 -4.415 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.273 -8.447 -4.199 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.422 -7.831 -4.324 1.00 0.00 H new ATOM 482 N TYR A 34 2.540 -6.037 -1.482 1.00 0.00 N ATOM 483 CA TYR A 34 4.000 -6.173 -1.453 1.00 0.00 C ATOM 484 C TYR A 34 4.492 -7.285 -2.381 1.00 0.00 C ATOM 485 O TYR A 34 3.807 -8.282 -2.606 1.00 0.00 O ATOM 486 CB TYR A 34 4.482 -6.417 -0.018 1.00 0.00 C ATOM 487 CG TYR A 34 4.082 -7.749 0.597 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.825 -7.895 1.215 1.00 0.00 C ATOM 489 CD2 TYR A 34 4.974 -8.839 0.563 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.453 -9.124 1.790 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.614 -10.073 1.139 1.00 0.00 C ATOM 492 CZ TYR A 34 3.349 -10.217 1.757 1.00 0.00 C ATOM 493 OH TYR A 34 2.991 -11.406 2.322 1.00 0.00 O ATOM 0 H TYR A 34 2.059 -6.936 -1.461 1.00 0.00 H new ATOM 0 HA TYR A 34 4.424 -5.237 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.569 -6.343 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.099 -5.616 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.143 -7.059 1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.940 -8.728 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.485 -9.232 2.256 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.301 -10.906 1.109 1.00 0.00 H new ATOM 0 HH TYR A 34 3.719 -12.053 2.212 1.00 0.00 H new ATOM 503 N GLU A 35 5.688 -7.091 -2.929 1.00 0.00 N ATOM 504 CA GLU A 35 6.328 -7.997 -3.873 1.00 0.00 C ATOM 505 C GLU A 35 7.012 -9.132 -3.093 1.00 0.00 C ATOM 506 O GLU A 35 8.080 -8.956 -2.502 1.00 0.00 O ATOM 507 CB GLU A 35 7.285 -7.178 -4.766 1.00 0.00 C ATOM 508 CG GLU A 35 6.981 -7.334 -6.257 1.00 0.00 C ATOM 509 CD GLU A 35 7.486 -8.675 -6.805 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.689 -8.770 -7.150 1.00 0.00 O ATOM 511 OE2 GLU A 35 6.691 -9.637 -6.881 1.00 0.00 O ATOM 0 H GLU A 35 6.256 -6.270 -2.720 1.00 0.00 H new ATOM 0 HA GLU A 35 5.608 -8.474 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.217 -6.125 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.311 -7.491 -4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.906 -7.257 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.445 -6.517 -6.810 1.00 0.00 H new ATOM 518 N GLY A 36 6.356 -10.295 -3.050 1.00 0.00 N ATOM 519 CA GLY A 36 6.794 -11.472 -2.295 1.00 0.00 C ATOM 520 C GLY A 36 7.733 -12.365 -3.103 1.00 0.00 C ATOM 521 O GLY A 36 8.572 -11.877 -3.862 1.00 0.00 O ATOM 0 H GLY A 36 5.482 -10.448 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.298 -11.149 -1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.922 -12.049 -1.989 1.00 0.00 H new ATOM 525 N ARG A 37 7.600 -13.684 -2.921 1.00 0.00 N ATOM 526 CA ARG A 37 8.430 -14.702 -3.590 1.00 0.00 C ATOM 527 C ARG A 37 7.857 -15.177 -4.938 1.00 0.00 C ATOM 528 O ARG A 37 8.608 -15.652 -5.790 1.00 0.00 O ATOM 529 CB ARG A 37 8.621 -15.902 -2.643 1.00 0.00 C ATOM 530 CG ARG A 37 9.184 -15.545 -1.254 1.00 0.00 C ATOM 531 CD ARG A 37 10.497 -14.753 -1.312 1.00 0.00 C ATOM 532 NE ARG A 37 11.013 -14.476 0.037 1.00 0.00 N ATOM 533 CZ ARG A 37 11.831 -13.487 0.379 1.00 0.00 C ATOM 534 NH1 ARG A 37 12.290 -12.584 -0.457 1.00 0.00 N ATOM 535 NH2 ARG A 37 12.244 -13.362 1.608 1.00 0.00 N ATOM 0 H ARG A 37 6.902 -14.084 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 37 9.387 -14.234 -3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.661 -16.401 -2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.291 -16.619 -3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.441 -14.963 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.347 -16.463 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.239 -15.315 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.335 -13.814 -1.842 1.00 0.00 H new ATOM 0 HE ARG A 37 10.714 -15.104 0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.020 -12.615 -1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.916 -11.851 -0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.939 -14.027 2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.872 -12.599 1.860 1.00 0.00 H new ATOM 549 N ASN A 38 6.540 -15.042 -5.129 1.00 0.00 N ATOM 550 CA ASN A 38 5.795 -15.513 -6.314 1.00 0.00 C ATOM 551 C ASN A 38 4.962 -14.426 -7.038 1.00 0.00 C ATOM 552 O ASN A 38 4.409 -14.689 -8.109 1.00 0.00 O ATOM 553 CB ASN A 38 4.923 -16.712 -5.901 1.00 0.00 C ATOM 554 CG ASN A 38 5.753 -17.937 -5.521 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.512 -18.472 -6.320 1.00 0.00 O ATOM 556 ND2 ASN A 38 5.635 -18.421 -4.295 1.00 0.00 N ATOM 0 H ASN A 38 5.938 -14.587 -4.443 1.00 0.00 H new ATOM 0 HA ASN A 38 6.534 -15.811 -7.058 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.295 -16.427 -5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.255 -16.971 -6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.176 -19.239 -4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.003 -17.976 -3.630 1.00 0.00 H new ATOM 563 N GLY A 39 4.876 -13.209 -6.482 1.00 0.00 N ATOM 564 CA GLY A 39 4.155 -12.058 -7.046 1.00 0.00 C ATOM 565 C GLY A 39 3.721 -11.042 -5.986 1.00 0.00 C ATOM 566 O GLY A 39 4.137 -11.124 -4.827 1.00 0.00 O ATOM 0 H GLY A 39 5.324 -12.991 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.792 -11.561 -7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.275 -12.415 -7.580 1.00 0.00 H new ATOM 570 N TRP A 40 2.865 -10.094 -6.376 1.00 0.00 N ATOM 571 CA TRP A 40 2.213 -9.161 -5.453 1.00 0.00 C ATOM 572 C TRP A 40 1.198 -9.883 -4.550 1.00 0.00 C ATOM 573 O TRP A 40 0.295 -10.559 -5.046 1.00 0.00 O ATOM 574 CB TRP A 40 1.520 -8.044 -6.243 1.00 0.00 C ATOM 575 CG TRP A 40 2.420 -7.200 -7.087 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.620 -7.359 -8.413 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.255 -6.067 -6.691 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.516 -6.414 -8.865 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.928 -5.577 -7.851 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.512 -5.400 -5.471 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.791 -4.472 -7.810 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.382 -4.293 -5.419 1.00 0.00 C ATOM 583 CH2 TRP A 40 5.011 -3.821 -6.585 1.00 0.00 C ATOM 0 H TRP A 40 2.602 -9.951 -7.351 1.00 0.00 H new ATOM 0 HA TRP A 40 2.980 -8.727 -4.811 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.763 -8.493 -6.886 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.997 -7.396 -5.540 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.149 -8.113 -9.027 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.835 -6.343 -9.831 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.034 -5.744 -4.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.280 -4.126 -8.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.568 -3.802 -4.475 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.662 -2.960 -6.539 1.00 0.00 H new ATOM 594 N TRP A 41 1.311 -9.682 -3.233 1.00 0.00 N ATOM 595 CA TRP A 41 0.414 -10.239 -2.214 1.00 0.00 C ATOM 596 C TRP A 41 -0.143 -9.133 -1.309 1.00 0.00 C ATOM 597 O TRP A 41 0.551 -8.165 -1.004 1.00 0.00 O ATOM 598 CB TRP A 41 1.153 -11.330 -1.419 1.00 0.00 C ATOM 599 CG TRP A 41 1.647 -12.469 -2.259 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.923 -12.908 -2.341 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.885 -13.295 -3.190 1.00 0.00 C ATOM 602 NE1 TRP A 41 3.009 -13.911 -3.287 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.788 -14.158 -3.877 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.479 -13.384 -3.542 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.370 -15.020 -4.903 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -0.913 -14.254 -4.555 1.00 0.00 C ATOM 607 CH2 TRP A 41 0.007 -15.065 -5.245 1.00 0.00 C ATOM 0 H TRP A 41 2.054 -9.108 -2.833 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.445 -10.701 -2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.001 -10.878 -0.904 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.485 -11.721 -0.652 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.749 -12.532 -1.756 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.869 -14.407 -3.520 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.202 -12.772 -3.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.086 -15.640 -5.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.962 -14.301 -4.807 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.333 -15.719 -6.034 1.00 0.00 H new ATOM 618 N GLN A 42 -1.418 -9.250 -0.932 1.00 0.00 N ATOM 619 CA GLN A 42 -2.136 -8.210 -0.188 1.00 0.00 C ATOM 620 C GLN A 42 -1.777 -8.251 1.311 1.00 0.00 C ATOM 621 O GLN A 42 -1.688 -9.324 1.912 1.00 0.00 O ATOM 622 CB GLN A 42 -3.650 -8.378 -0.413 1.00 0.00 C ATOM 623 CG GLN A 42 -4.438 -7.104 -0.067 1.00 0.00 C ATOM 624 CD GLN A 42 -5.950 -7.319 -0.176 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.618 -7.739 0.761 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.558 -7.053 -1.316 1.00 0.00 N ATOM 0 H GLN A 42 -1.985 -10.073 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.834 -7.230 -0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.833 -8.644 -1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.016 -9.205 0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.189 -6.787 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.137 -6.298 -0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.022 -6.702 -2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.564 -7.198 -1.403 1.00 0.00 H new ATOM 635 N TYR A 43 -1.603 -7.078 1.924 1.00 0.00 N ATOM 636 CA TYR A 43 -1.447 -6.927 3.379 1.00 0.00 C ATOM 637 C TYR A 43 -2.738 -7.245 4.167 1.00 0.00 C ATOM 638 O TYR A 43 -3.854 -7.157 3.649 1.00 0.00 O ATOM 639 CB TYR A 43 -0.999 -5.491 3.688 1.00 0.00 C ATOM 640 CG TYR A 43 0.476 -5.212 3.499 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.386 -5.509 4.531 1.00 0.00 C ATOM 642 CD2 TYR A 43 0.932 -4.600 2.319 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.747 -5.189 4.383 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.287 -4.264 2.167 1.00 0.00 C ATOM 645 CZ TYR A 43 3.199 -4.566 3.198 1.00 0.00 C ATOM 646 OH TYR A 43 4.517 -4.280 3.027 1.00 0.00 O ATOM 0 H TYR A 43 -1.565 -6.192 1.420 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.697 -7.650 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.564 -4.809 3.053 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.265 -5.260 4.720 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.039 -5.983 5.437 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.235 -4.386 1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.446 -5.419 5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.628 -3.777 1.265 1.00 0.00 H new ATOM 0 HH TYR A 43 5.003 -5.100 2.800 1.00 0.00 H new ATOM 656 N ASP A 44 -2.581 -7.565 5.457 1.00 0.00 N ATOM 657 CA ASP A 44 -3.687 -7.732 6.410 1.00 0.00 C ATOM 658 C ASP A 44 -4.384 -6.392 6.734 1.00 0.00 C ATOM 659 O ASP A 44 -3.771 -5.327 6.643 1.00 0.00 O ATOM 660 CB ASP A 44 -3.134 -8.405 7.675 1.00 0.00 C ATOM 661 CG ASP A 44 -4.227 -8.656 8.718 1.00 0.00 C ATOM 662 OD1 ASP A 44 -4.982 -9.645 8.571 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.354 -7.823 9.642 1.00 0.00 O ATOM 0 H ASP A 44 -1.664 -7.718 5.877 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.455 -8.363 5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.666 -9.352 7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.356 -7.777 8.109 1.00 0.00 H new ATOM 668 N GLU A 45 -5.656 -6.433 7.141 1.00 0.00 N ATOM 669 CA GLU A 45 -6.486 -5.250 7.408 1.00 0.00 C ATOM 670 C GLU A 45 -6.028 -4.449 8.637 1.00 0.00 C ATOM 671 O GLU A 45 -6.321 -3.255 8.733 1.00 0.00 O ATOM 672 CB GLU A 45 -7.968 -5.662 7.532 1.00 0.00 C ATOM 673 CG GLU A 45 -8.219 -6.822 8.512 1.00 0.00 C ATOM 674 CD GLU A 45 -9.713 -7.013 8.810 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.482 -7.379 7.890 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.117 -6.816 9.981 1.00 0.00 O ATOM 0 H GLU A 45 -6.151 -7.311 7.298 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.367 -4.579 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.548 -4.797 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.338 -5.946 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.812 -7.743 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.685 -6.631 9.443 1.00 0.00 H new ATOM 683 N ARG A 46 -5.277 -5.070 9.557 1.00 0.00 N ATOM 684 CA ARG A 46 -4.720 -4.409 10.746 1.00 0.00 C ATOM 685 C ARG A 46 -3.295 -3.891 10.506 1.00 0.00 C ATOM 686 O ARG A 46 -2.806 -3.072 11.290 1.00 0.00 O ATOM 687 CB ARG A 46 -4.755 -5.356 11.959 1.00 0.00 C ATOM 688 CG ARG A 46 -6.070 -6.140 12.166 1.00 0.00 C ATOM 689 CD ARG A 46 -7.338 -5.288 12.014 1.00 0.00 C ATOM 690 NE ARG A 46 -8.566 -6.074 12.212 1.00 0.00 N ATOM 691 CZ ARG A 46 -9.130 -6.453 13.350 1.00 0.00 C ATOM 692 NH1 ARG A 46 -8.611 -6.177 14.527 1.00 0.00 N ATOM 693 NH2 ARG A 46 -10.254 -7.130 13.291 1.00 0.00 N ATOM 0 H ARG A 46 -5.036 -6.059 9.496 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.347 -3.543 10.957 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.939 -6.072 11.860 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.558 -4.771 12.858 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.108 -6.960 11.449 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.062 -6.586 13.161 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.312 -4.471 12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.354 -4.838 11.022 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.047 -6.366 11.361 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.739 -5.651 14.589 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.080 -6.489 15.377 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.670 -7.351 12.386 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.711 -7.435 14.150 1.00 0.00 H new ATOM 707 N THR A 47 -2.645 -4.332 9.419 1.00 0.00 N ATOM 708 CA THR A 47 -1.309 -3.889 8.991 1.00 0.00 C ATOM 709 C THR A 47 -1.401 -2.786 7.949 1.00 0.00 C ATOM 710 O THR A 47 -0.835 -1.715 8.141 1.00 0.00 O ATOM 711 CB THR A 47 -0.476 -5.072 8.486 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.428 -6.041 9.510 1.00 0.00 O ATOM 713 CG2 THR A 47 0.956 -4.637 8.170 1.00 0.00 C ATOM 0 H THR A 47 -3.047 -5.029 8.793 1.00 0.00 H new ATOM 0 HA THR A 47 -0.799 -3.472 9.860 1.00 0.00 H new ATOM 0 HB THR A 47 -0.932 -5.467 7.578 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.100 -6.810 9.208 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.527 -5.495 7.814 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.940 -3.866 7.400 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.423 -4.240 9.071 1.00 0.00 H new ATOM 721 N SER A 48 -2.156 -3.001 6.872 1.00 0.00 N ATOM 722 CA SER A 48 -2.317 -2.018 5.784 1.00 0.00 C ATOM 723 C SER A 48 -2.900 -0.685 6.254 1.00 0.00 C ATOM 724 O SER A 48 -2.535 0.368 5.725 1.00 0.00 O ATOM 725 CB SER A 48 -3.190 -2.578 4.654 1.00 0.00 C ATOM 726 OG SER A 48 -4.482 -2.966 5.101 1.00 0.00 O ATOM 0 H SER A 48 -2.679 -3.864 6.722 1.00 0.00 H new ATOM 0 HA SER A 48 -1.309 -1.827 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.291 -1.826 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.691 -3.438 4.207 1.00 0.00 H new ATOM 0 HG SER A 48 -4.411 -3.783 5.637 1.00 0.00 H new ATOM 732 N ARG A 49 -3.721 -0.698 7.312 1.00 0.00 N ATOM 733 CA ARG A 49 -4.245 0.526 7.913 1.00 0.00 C ATOM 734 C ARG A 49 -3.136 1.412 8.487 1.00 0.00 C ATOM 735 O ARG A 49 -3.294 2.626 8.502 1.00 0.00 O ATOM 736 CB ARG A 49 -5.350 0.201 8.933 1.00 0.00 C ATOM 737 CG ARG A 49 -4.860 -0.332 10.295 1.00 0.00 C ATOM 738 CD ARG A 49 -4.356 0.702 11.323 1.00 0.00 C ATOM 739 NE ARG A 49 -5.236 1.878 11.460 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.839 3.130 11.686 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.598 3.445 11.980 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.706 4.117 11.622 1.00 0.00 N ATOM 0 H ARG A 49 -4.036 -1.553 7.770 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.705 1.119 7.123 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.938 1.103 9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.020 -0.537 8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.677 -0.890 10.752 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.054 -1.042 10.109 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.258 0.217 12.294 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.360 1.036 11.031 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.240 1.718 11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.888 2.715 12.044 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.344 4.419 12.144 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.683 3.924 11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.402 5.075 11.795 1.00 0.00 H new ATOM 756 N GLU A 50 -2.005 0.840 8.922 1.00 0.00 N ATOM 757 CA GLU A 50 -0.885 1.622 9.472 1.00 0.00 C ATOM 758 C GLU A 50 -0.173 2.383 8.345 1.00 0.00 C ATOM 759 O GLU A 50 0.198 3.548 8.496 1.00 0.00 O ATOM 760 CB GLU A 50 0.124 0.712 10.199 1.00 0.00 C ATOM 761 CG GLU A 50 -0.457 -0.090 11.374 1.00 0.00 C ATOM 762 CD GLU A 50 -0.658 0.779 12.624 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.591 1.616 12.636 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.105 0.623 13.607 1.00 0.00 O ATOM 0 H GLU A 50 -1.840 -0.166 8.904 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.291 2.332 10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.548 0.015 9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.945 1.327 10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.412 -0.525 11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.211 -0.918 11.612 1.00 0.00 H new ATOM 771 N LEU A 51 -0.050 1.730 7.187 1.00 0.00 N ATOM 772 CA LEU A 51 0.539 2.267 5.963 1.00 0.00 C ATOM 773 C LEU A 51 -0.353 3.370 5.369 1.00 0.00 C ATOM 774 O LEU A 51 0.135 4.445 5.020 1.00 0.00 O ATOM 775 CB LEU A 51 0.740 1.100 4.972 1.00 0.00 C ATOM 776 CG LEU A 51 1.427 -0.161 5.537 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.478 -1.256 4.467 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.834 0.162 6.039 1.00 0.00 C ATOM 0 H LEU A 51 -0.374 0.769 7.074 1.00 0.00 H new ATOM 0 HA LEU A 51 1.504 2.726 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.235 0.812 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.329 1.463 4.130 1.00 0.00 H new ATOM 0 HG LEU A 51 0.842 -0.522 6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.965 -2.142 4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.464 -1.509 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.042 -0.897 3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.297 -0.743 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.434 0.548 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.776 0.912 6.828 1.00 0.00 H new ATOM 790 N GLU A 52 -1.665 3.118 5.324 1.00 0.00 N ATOM 791 CA GLU A 52 -2.697 4.055 4.874 1.00 0.00 C ATOM 792 C GLU A 52 -2.780 5.321 5.750 1.00 0.00 C ATOM 793 O GLU A 52 -3.068 6.409 5.252 1.00 0.00 O ATOM 794 CB GLU A 52 -4.050 3.318 4.876 1.00 0.00 C ATOM 795 CG GLU A 52 -5.200 4.071 4.188 1.00 0.00 C ATOM 796 CD GLU A 52 -5.034 4.217 2.665 1.00 0.00 C ATOM 797 OE1 GLU A 52 -4.212 3.492 2.057 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.749 5.058 2.070 1.00 0.00 O ATOM 0 H GLU A 52 -2.052 2.219 5.612 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.437 4.395 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.922 2.353 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.335 3.115 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.135 3.549 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.286 5.064 4.630 1.00 0.00 H new ATOM 805 N ASP A 53 -2.506 5.204 7.054 1.00 0.00 N ATOM 806 CA ASP A 53 -2.583 6.309 8.017 1.00 0.00 C ATOM 807 C ASP A 53 -1.323 7.177 7.964 1.00 0.00 C ATOM 808 O ASP A 53 -1.385 8.392 8.104 1.00 0.00 O ATOM 809 CB ASP A 53 -2.752 5.704 9.417 1.00 0.00 C ATOM 810 CG ASP A 53 -3.240 6.663 10.516 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.791 7.745 10.214 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.130 6.267 11.701 1.00 0.00 O ATOM 0 H ASP A 53 -2.219 4.322 7.478 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.429 6.951 7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.455 4.874 9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.795 5.286 9.727 1.00 0.00 H new ATOM 817 N ALA A 54 -0.175 6.554 7.722 1.00 0.00 N ATOM 818 CA ALA A 54 1.140 7.194 7.736 1.00 0.00 C ATOM 819 C ALA A 54 1.316 8.295 6.674 1.00 0.00 C ATOM 820 O ALA A 54 1.700 9.414 7.028 1.00 0.00 O ATOM 821 CB ALA A 54 2.186 6.088 7.622 1.00 0.00 C ATOM 0 H ALA A 54 -0.130 5.559 7.504 1.00 0.00 H new ATOM 0 HA ALA A 54 1.261 7.736 8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.183 6.528 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.085 5.404 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.037 5.541 6.691 1.00 0.00 H new ATOM 827 N PHE A 55 0.980 8.030 5.403 1.00 0.00 N ATOM 828 CA PHE A 55 1.043 9.067 4.357 1.00 0.00 C ATOM 829 C PHE A 55 -0.024 10.156 4.566 1.00 0.00 C ATOM 830 O PHE A 55 0.121 11.284 4.096 1.00 0.00 O ATOM 831 CB PHE A 55 0.965 8.446 2.952 1.00 0.00 C ATOM 832 CG PHE A 55 -0.426 8.219 2.392 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.056 9.232 1.643 1.00 0.00 C ATOM 834 CD2 PHE A 55 -1.074 6.986 2.581 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.323 9.008 1.076 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.333 6.757 1.999 1.00 0.00 C ATOM 837 CZ PHE A 55 -2.959 7.767 1.248 1.00 0.00 C ATOM 0 H PHE A 55 0.665 7.117 5.075 1.00 0.00 H new ATOM 0 HA PHE A 55 2.012 9.559 4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.510 9.091 2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.486 7.489 2.972 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.564 10.184 1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.605 6.215 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.807 9.789 0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.821 5.802 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.927 7.589 0.804 1.00 0.00 H new ATOM 847 N SER A 56 -1.077 9.819 5.310 1.00 0.00 N ATOM 848 CA SER A 56 -2.163 10.730 5.689 1.00 0.00 C ATOM 849 C SER A 56 -1.791 11.628 6.890 1.00 0.00 C ATOM 850 O SER A 56 -2.208 12.788 6.963 1.00 0.00 O ATOM 851 CB SER A 56 -3.420 9.895 5.979 1.00 0.00 C ATOM 852 OG SER A 56 -4.597 10.690 5.911 1.00 0.00 O ATOM 0 H SER A 56 -1.204 8.876 5.678 1.00 0.00 H new ATOM 0 HA SER A 56 -2.354 11.412 4.861 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.489 9.077 5.262 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.340 9.445 6.968 1.00 0.00 H new ATOM 0 HG SER A 56 -5.380 10.132 6.098 1.00 0.00 H new ATOM 858 N LYS A 57 -0.939 11.139 7.803 1.00 0.00 N ATOM 859 CA LYS A 57 -0.379 11.899 8.930 1.00 0.00 C ATOM 860 C LYS A 57 0.690 12.900 8.465 1.00 0.00 C ATOM 861 O LYS A 57 0.716 14.041 8.934 1.00 0.00 O ATOM 862 CB LYS A 57 0.245 10.918 9.937 1.00 0.00 C ATOM 863 CG LYS A 57 -0.783 10.173 10.805 1.00 0.00 C ATOM 864 CD LYS A 57 -0.219 8.832 11.303 1.00 0.00 C ATOM 865 CE LYS A 57 1.133 8.952 12.028 1.00 0.00 C ATOM 866 NZ LYS A 57 0.960 9.246 13.478 1.00 0.00 N ATOM 0 H LYS A 57 -0.611 10.174 7.776 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.187 12.464 9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.843 10.187 9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.926 11.466 10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.061 10.793 11.657 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.691 9.997 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.942 8.374 11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.105 8.159 10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.692 8.024 11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.725 9.742 11.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.893 9.319 13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.448 10.144 13.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.417 8.480 13.925 1.00 0.00 H new ATOM 880 N GLY A 58 1.566 12.466 7.549 1.00 0.00 N ATOM 881 CA GLY A 58 2.650 13.272 6.973 1.00 0.00 C ATOM 882 C GLY A 58 4.033 12.642 7.102 1.00 0.00 C ATOM 883 O GLY A 58 4.984 13.173 6.526 1.00 0.00 O ATOM 0 H GLY A 58 1.539 11.516 7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.438 13.444 5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.660 14.247 7.459 1.00 0.00 H new ATOM 887 N LYS A 59 4.180 11.527 7.834 1.00 0.00 N ATOM 888 CA LYS A 59 5.449 10.796 7.884 1.00 0.00 C ATOM 889 C LYS A 59 5.823 10.174 6.524 1.00 0.00 C ATOM 890 O LYS A 59 4.972 9.812 5.708 1.00 0.00 O ATOM 891 CB LYS A 59 5.465 9.760 9.026 1.00 0.00 C ATOM 892 CG LYS A 59 4.211 8.883 9.095 1.00 0.00 C ATOM 893 CD LYS A 59 4.413 7.624 9.947 1.00 0.00 C ATOM 894 CE LYS A 59 4.900 7.892 11.378 1.00 0.00 C ATOM 895 NZ LYS A 59 5.130 6.622 12.120 1.00 0.00 N ATOM 0 H LYS A 59 3.436 11.115 8.397 1.00 0.00 H new ATOM 0 HA LYS A 59 6.226 11.527 8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.338 9.118 8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.581 10.283 9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.387 9.466 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.922 8.591 8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.471 7.078 9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.133 6.975 9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.824 8.470 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.163 8.496 11.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.554 6.617 12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.861 5.816 11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.136 6.545 12.373 1.00 0.00 H new ATOM 909 N LYS A 60 7.131 10.024 6.309 1.00 0.00 N ATOM 910 CA LYS A 60 7.736 9.547 5.053 1.00 0.00 C ATOM 911 C LYS A 60 8.127 8.059 5.092 1.00 0.00 C ATOM 912 O LYS A 60 8.651 7.519 4.121 1.00 0.00 O ATOM 913 CB LYS A 60 8.890 10.494 4.673 1.00 0.00 C ATOM 914 CG LYS A 60 10.219 10.273 5.409 1.00 0.00 C ATOM 915 CD LYS A 60 11.213 11.396 5.074 1.00 0.00 C ATOM 916 CE LYS A 60 12.615 11.180 5.666 1.00 0.00 C ATOM 917 NZ LYS A 60 13.310 10.004 5.077 1.00 0.00 N ATOM 0 H LYS A 60 7.826 10.237 7.025 1.00 0.00 H new ATOM 0 HA LYS A 60 6.990 9.583 4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.072 10.400 3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.565 11.519 4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.045 10.242 6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.642 9.309 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.296 11.484 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.815 12.342 5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.217 12.074 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.533 11.046 6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.339 10.145 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.049 9.147 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.028 9.897 4.082 1.00 0.00 H new ATOM 931 N ASN A 61 7.866 7.394 6.220 1.00 0.00 N ATOM 932 CA ASN A 61 8.084 5.967 6.470 1.00 0.00 C ATOM 933 C ASN A 61 7.459 5.582 7.816 1.00 0.00 C ATOM 934 O ASN A 61 7.436 6.396 8.744 1.00 0.00 O ATOM 935 CB ASN A 61 9.576 5.571 6.433 1.00 0.00 C ATOM 936 CG ASN A 61 10.400 6.208 7.545 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.765 5.578 8.531 1.00 0.00 O ATOM 938 ND2 ASN A 61 10.696 7.483 7.401 1.00 0.00 N ATOM 0 H ASN A 61 7.472 7.867 7.034 1.00 0.00 H new ATOM 0 HA ASN A 61 7.600 5.416 5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.658 4.487 6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.997 5.858 5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.239 7.965 8.118 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.383 7.989 6.573 1.00 0.00 H new ATOM 945 N THR A 62 6.962 4.350 7.916 1.00 0.00 N ATOM 946 CA THR A 62 6.354 3.798 9.143 1.00 0.00 C ATOM 947 C THR A 62 6.820 2.369 9.420 1.00 0.00 C ATOM 948 O THR A 62 7.596 1.811 8.653 1.00 0.00 O ATOM 949 CB THR A 62 4.831 3.975 9.102 1.00 0.00 C ATOM 950 OG1 THR A 62 4.365 3.927 10.432 1.00 0.00 O ATOM 951 CG2 THR A 62 4.110 2.928 8.251 1.00 0.00 C ATOM 0 H THR A 62 6.967 3.690 7.138 1.00 0.00 H new ATOM 0 HA THR A 62 6.706 4.366 10.005 1.00 0.00 H new ATOM 0 HB THR A 62 4.612 4.931 8.628 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.391 4.039 10.442 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.037 3.119 8.271 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.470 2.984 7.224 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.309 1.934 8.651 1.00 0.00 H new ATOM 959 N GLU A 63 6.385 1.791 10.535 1.00 0.00 N ATOM 960 CA GLU A 63 6.846 0.509 11.068 1.00 0.00 C ATOM 961 C GLU A 63 5.681 -0.459 11.297 1.00 0.00 C ATOM 962 O GLU A 63 4.568 -0.057 11.644 1.00 0.00 O ATOM 963 CB GLU A 63 7.581 0.750 12.394 1.00 0.00 C ATOM 964 CG GLU A 63 8.951 1.394 12.171 1.00 0.00 C ATOM 965 CD GLU A 63 9.650 1.668 13.508 1.00 0.00 C ATOM 966 OE1 GLU A 63 10.320 0.750 14.038 1.00 0.00 O ATOM 967 OE2 GLU A 63 9.542 2.799 14.033 1.00 0.00 O ATOM 0 H GLU A 63 5.669 2.221 11.120 1.00 0.00 H new ATOM 0 HA GLU A 63 7.518 0.057 10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.976 1.393 13.034 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.705 -0.197 12.919 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.571 0.738 11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.834 2.327 11.619 1.00 0.00 H new ATOM 974 N MET A 64 5.963 -1.751 11.123 1.00 0.00 N ATOM 975 CA MET A 64 4.978 -2.839 11.183 1.00 0.00 C ATOM 976 C MET A 64 5.619 -4.182 11.553 1.00 0.00 C ATOM 977 O MET A 64 6.753 -4.477 11.171 1.00 0.00 O ATOM 978 CB MET A 64 4.214 -2.944 9.850 1.00 0.00 C ATOM 979 CG MET A 64 5.157 -3.016 8.643 1.00 0.00 C ATOM 980 SD MET A 64 4.365 -3.361 7.058 1.00 0.00 S ATOM 981 CE MET A 64 5.862 -3.754 6.121 1.00 0.00 C ATOM 0 H MET A 64 6.909 -2.082 10.931 1.00 0.00 H new ATOM 0 HA MET A 64 4.271 -2.596 11.977 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.580 -3.830 9.866 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.555 -2.082 9.743 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.691 -2.069 8.564 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.903 -3.788 8.832 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.744 -3.419 5.090 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.716 -3.249 6.571 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.028 -4.831 6.136 1.00 0.00 H new ATOM 991 N LEU A 65 4.865 -4.999 12.286 1.00 0.00 N ATOM 992 CA LEU A 65 5.232 -6.347 12.716 1.00 0.00 C ATOM 993 C LEU A 65 4.542 -7.390 11.829 1.00 0.00 C ATOM 994 O LEU A 65 3.386 -7.222 11.431 1.00 0.00 O ATOM 995 CB LEU A 65 4.848 -6.525 14.203 1.00 0.00 C ATOM 996 CG LEU A 65 5.884 -7.229 15.102 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.238 -8.656 14.672 1.00 0.00 C ATOM 998 CD2 LEU A 65 7.151 -6.378 15.213 1.00 0.00 C ATOM 0 H LEU A 65 3.938 -4.726 12.612 1.00 0.00 H new ATOM 0 HA LEU A 65 6.308 -6.491 12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.645 -5.540 14.623 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.917 -7.089 14.250 1.00 0.00 H new ATOM 0 HG LEU A 65 5.407 -7.329 16.077 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.973 -9.072 15.361 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.339 -9.273 14.684 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.654 -8.640 13.665 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.875 -6.885 15.850 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.579 -6.232 14.221 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.902 -5.409 15.647 1.00 0.00 H new ATOM 1010 N ILE A 66 5.254 -8.476 11.545 1.00 0.00 N ATOM 1011 CA ILE A 66 4.797 -9.591 10.691 1.00 0.00 C ATOM 1012 C ILE A 66 4.874 -10.947 11.428 1.00 0.00 C ATOM 1013 O ILE A 66 4.781 -10.993 12.654 1.00 0.00 O ATOM 1014 CB ILE A 66 5.528 -9.549 9.333 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.039 -9.842 9.469 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.273 -8.208 8.620 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.471 -11.057 8.644 1.00 0.00 C ATOM 0 H ILE A 66 6.196 -8.618 11.909 1.00 0.00 H new ATOM 0 HA ILE A 66 3.737 -9.470 10.468 1.00 0.00 H new ATOM 0 HB ILE A 66 5.115 -10.347 8.716 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.607 -8.968 9.149 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.281 -10.013 10.518 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.797 -8.199 7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.204 -8.085 8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.637 -7.390 9.242 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.541 -11.222 8.772 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.925 -11.938 8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.256 -10.877 7.591 1.00 0.00 H new ATOM 1029 N ALA A 67 5.056 -12.059 10.706 1.00 0.00 N ATOM 1030 CA ALA A 67 5.178 -13.413 11.261 1.00 0.00 C ATOM 1031 C ALA A 67 6.346 -13.622 12.254 1.00 0.00 C ATOM 1032 O ALA A 67 6.333 -14.597 13.010 1.00 0.00 O ATOM 1033 CB ALA A 67 5.334 -14.370 10.072 1.00 0.00 C ATOM 0 H ALA A 67 5.125 -12.041 9.688 1.00 0.00 H new ATOM 0 HA ALA A 67 4.282 -13.602 11.853 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.429 -15.392 10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.458 -14.295 9.427 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.226 -14.104 9.505 1.00 0.00 H new ATOM 1039 N GLY A 68 7.341 -12.724 12.269 1.00 0.00 N ATOM 1040 CA GLY A 68 8.503 -12.805 13.167 1.00 0.00 C ATOM 1041 C GLY A 68 9.546 -11.688 13.040 1.00 0.00 C ATOM 1042 O GLY A 68 10.668 -11.871 13.511 1.00 0.00 O ATOM 0 H GLY A 68 7.362 -11.912 11.652 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.140 -12.817 14.195 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.002 -13.759 12.994 1.00 0.00 H new ATOM 1046 N PHE A 69 9.205 -10.557 12.407 1.00 0.00 N ATOM 1047 CA PHE A 69 10.144 -9.481 12.061 1.00 0.00 C ATOM 1048 C PHE A 69 9.467 -8.103 12.077 1.00 0.00 C ATOM 1049 O PHE A 69 8.268 -7.982 11.808 1.00 0.00 O ATOM 1050 CB PHE A 69 10.734 -9.731 10.659 1.00 0.00 C ATOM 1051 CG PHE A 69 11.594 -10.972 10.501 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.954 -10.928 10.862 1.00 0.00 C ATOM 1053 CD2 PHE A 69 11.054 -12.159 9.964 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.776 -12.054 10.672 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.877 -13.284 9.771 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.237 -13.231 10.121 1.00 0.00 C ATOM 0 H PHE A 69 8.248 -10.360 12.115 1.00 0.00 H new ATOM 0 HA PHE A 69 10.934 -9.484 12.812 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.910 -9.793 9.948 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.332 -8.863 10.380 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.368 -10.026 11.287 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.008 -12.205 9.701 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.819 -12.015 10.949 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.463 -14.190 9.353 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.868 -14.094 9.967 1.00 0.00 H new ATOM 1066 N LEU A 70 10.258 -7.060 12.348 1.00 0.00 N ATOM 1067 CA LEU A 70 9.865 -5.662 12.167 1.00 0.00 C ATOM 1068 C LEU A 70 10.334 -5.234 10.772 1.00 0.00 C ATOM 1069 O LEU A 70 11.528 -5.274 10.464 1.00 0.00 O ATOM 1070 CB LEU A 70 10.503 -4.800 13.278 1.00 0.00 C ATOM 1071 CG LEU A 70 9.960 -3.367 13.493 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.913 -2.498 12.230 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.575 -3.364 14.150 1.00 0.00 C ATOM 0 H LEU A 70 11.207 -7.168 12.706 1.00 0.00 H new ATOM 0 HA LEU A 70 8.785 -5.533 12.240 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.400 -5.340 14.219 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.570 -4.724 13.069 1.00 0.00 H new ATOM 0 HG LEU A 70 10.693 -2.918 14.164 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.519 -1.513 12.480 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.919 -2.394 11.823 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.268 -2.969 11.488 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.236 -2.336 14.280 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.870 -3.901 13.515 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.633 -3.853 15.122 1.00 0.00 H new ATOM 1085 N TYR A 71 9.393 -4.791 9.949 1.00 0.00 N ATOM 1086 CA TYR A 71 9.649 -4.165 8.650 1.00 0.00 C ATOM 1087 C TYR A 71 9.328 -2.664 8.691 1.00 0.00 C ATOM 1088 O TYR A 71 8.250 -2.249 9.120 1.00 0.00 O ATOM 1089 CB TYR A 71 8.850 -4.874 7.545 1.00 0.00 C ATOM 1090 CG TYR A 71 9.265 -6.296 7.207 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.624 -6.657 7.084 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.276 -7.268 6.976 1.00 0.00 C ATOM 1093 CE1 TYR A 71 10.984 -7.984 6.779 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.628 -8.598 6.711 1.00 0.00 C ATOM 1095 CZ TYR A 71 9.985 -8.965 6.604 1.00 0.00 C ATOM 1096 OH TYR A 71 10.328 -10.253 6.323 1.00 0.00 O ATOM 0 H TYR A 71 8.399 -4.857 10.170 1.00 0.00 H new ATOM 0 HA TYR A 71 10.710 -4.269 8.421 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.801 -4.887 7.839 1.00 0.00 H new ATOM 0 HB3 TYR A 71 8.919 -4.275 6.637 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.392 -5.911 7.225 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.234 -6.987 7.003 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.026 -8.251 6.679 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.857 -9.345 6.588 1.00 0.00 H new ATOM 0 HH TYR A 71 9.517 -10.796 6.235 1.00 0.00 H new ATOM 1106 N VAL A 72 10.273 -1.853 8.220 1.00 0.00 N ATOM 1107 CA VAL A 72 10.107 -0.421 7.971 1.00 0.00 C ATOM 1108 C VAL A 72 9.537 -0.278 6.561 1.00 0.00 C ATOM 1109 O VAL A 72 10.181 -0.670 5.588 1.00 0.00 O ATOM 1110 CB VAL A 72 11.440 0.353 8.092 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.205 1.873 8.049 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.193 -0.003 9.383 1.00 0.00 C ATOM 0 H VAL A 72 11.210 -2.186 7.993 1.00 0.00 H new ATOM 0 HA VAL A 72 9.439 0.006 8.719 1.00 0.00 H new ATOM 0 HB VAL A 72 12.050 0.056 7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.160 2.391 8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.731 2.141 7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.557 2.165 8.876 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.124 0.562 9.429 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.574 0.246 10.245 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.416 -1.070 9.392 1.00 0.00 H new ATOM 1122 N ALA A 73 8.322 0.250 6.456 1.00 0.00 N ATOM 1123 CA ALA A 73 7.684 0.595 5.194 1.00 0.00 C ATOM 1124 C ALA A 73 8.088 2.024 4.810 1.00 0.00 C ATOM 1125 O ALA A 73 7.700 2.993 5.461 1.00 0.00 O ATOM 1126 CB ALA A 73 6.170 0.425 5.348 1.00 0.00 C ATOM 0 H ALA A 73 7.740 0.454 7.268 1.00 0.00 H new ATOM 0 HA ALA A 73 8.007 -0.062 4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.678 0.680 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.944 -0.610 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.808 1.083 6.138 1.00 0.00 H new ATOM 1132 N ASP A 74 8.888 2.146 3.759 1.00 0.00 N ATOM 1133 CA ASP A 74 9.367 3.402 3.193 1.00 0.00 C ATOM 1134 C ASP A 74 8.313 3.961 2.231 1.00 0.00 C ATOM 1135 O ASP A 74 8.067 3.396 1.159 1.00 0.00 O ATOM 1136 CB ASP A 74 10.708 3.134 2.500 1.00 0.00 C ATOM 1137 CG ASP A 74 11.418 4.411 2.038 1.00 0.00 C ATOM 1138 OD1 ASP A 74 10.844 5.143 1.201 1.00 0.00 O ATOM 1139 OD2 ASP A 74 12.558 4.658 2.493 1.00 0.00 O ATOM 0 H ASP A 74 9.238 1.333 3.253 1.00 0.00 H new ATOM 0 HA ASP A 74 9.525 4.153 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.360 2.591 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.541 2.488 1.638 1.00 0.00 H new ATOM 1144 N LEU A 75 7.687 5.073 2.630 1.00 0.00 N ATOM 1145 CA LEU A 75 6.614 5.736 1.889 1.00 0.00 C ATOM 1146 C LEU A 75 7.147 6.726 0.830 1.00 0.00 C ATOM 1147 O LEU A 75 6.367 7.192 0.001 1.00 0.00 O ATOM 1148 CB LEU A 75 5.651 6.420 2.887 1.00 0.00 C ATOM 1149 CG LEU A 75 4.534 5.542 3.489 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.985 4.291 4.249 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.686 6.412 4.429 1.00 0.00 C ATOM 0 H LEU A 75 7.921 5.548 3.502 1.00 0.00 H new ATOM 0 HA LEU A 75 6.066 4.979 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.243 6.826 3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.184 7.266 2.383 1.00 0.00 H new ATOM 0 HG LEU A 75 3.978 5.162 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.111 3.758 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.547 3.641 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.619 4.583 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.890 5.808 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.316 6.810 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.249 7.237 3.866 1.00 0.00 H new ATOM 1163 N GLU A 76 8.454 7.019 0.812 1.00 0.00 N ATOM 1164 CA GLU A 76 9.086 7.852 -0.222 1.00 0.00 C ATOM 1165 C GLU A 76 9.307 7.065 -1.521 1.00 0.00 C ATOM 1166 O GLU A 76 8.955 7.513 -2.613 1.00 0.00 O ATOM 1167 CB GLU A 76 10.461 8.359 0.236 1.00 0.00 C ATOM 1168 CG GLU A 76 10.462 9.237 1.484 1.00 0.00 C ATOM 1169 CD GLU A 76 11.786 10.000 1.618 1.00 0.00 C ATOM 1170 OE1 GLU A 76 11.952 11.050 0.951 1.00 0.00 O ATOM 1171 OE2 GLU A 76 12.659 9.573 2.409 1.00 0.00 O ATOM 0 H GLU A 76 9.108 6.683 1.519 1.00 0.00 H new ATOM 0 HA GLU A 76 8.407 8.687 -0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.102 7.497 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.911 8.922 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.634 9.944 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.303 8.619 2.368 1.00 0.00 H new ATOM 1178 N ASN A 77 9.914 5.885 -1.386 1.00 0.00 N ATOM 1179 CA ASN A 77 10.373 5.019 -2.474 1.00 0.00 C ATOM 1180 C ASN A 77 9.379 3.881 -2.765 1.00 0.00 C ATOM 1181 O ASN A 77 9.531 3.152 -3.748 1.00 0.00 O ATOM 1182 CB ASN A 77 11.742 4.441 -2.075 1.00 0.00 C ATOM 1183 CG ASN A 77 12.820 5.506 -1.878 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.587 5.808 -2.785 1.00 0.00 O ATOM 1185 ND2 ASN A 77 12.930 6.089 -0.696 1.00 0.00 N ATOM 0 H ASN A 77 10.109 5.487 -0.467 1.00 0.00 H new ATOM 0 HA ASN A 77 10.451 5.608 -3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.632 3.872 -1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.070 3.741 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.654 6.791 -0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.291 5.837 0.058 1.00 0.00 H new ATOM 1192 N MET A 78 8.381 3.709 -1.885 1.00 0.00 N ATOM 1193 CA MET A 78 7.413 2.599 -1.867 1.00 0.00 C ATOM 1194 C MET A 78 8.133 1.233 -1.848 1.00 0.00 C ATOM 1195 O MET A 78 8.014 0.434 -2.781 1.00 0.00 O ATOM 1196 CB MET A 78 6.390 2.724 -3.011 1.00 0.00 C ATOM 1197 CG MET A 78 5.506 3.980 -2.982 1.00 0.00 C ATOM 1198 SD MET A 78 3.860 3.756 -2.254 1.00 0.00 S ATOM 1199 CE MET A 78 4.240 4.097 -0.523 1.00 0.00 C ATOM 0 H MET A 78 8.218 4.373 -1.128 1.00 0.00 H new ATOM 0 HA MET A 78 6.841 2.661 -0.941 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.928 2.703 -3.959 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.743 1.847 -2.992 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.028 4.758 -2.425 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.387 4.343 -4.003 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.312 4.232 0.033 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.798 3.261 -0.101 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.839 5.005 -0.454 1.00 0.00 H new ATOM 1209 N VAL A 79 8.851 0.956 -0.755 1.00 0.00 N ATOM 1210 CA VAL A 79 9.518 -0.338 -0.467 1.00 0.00 C ATOM 1211 C VAL A 79 9.357 -0.718 1.014 1.00 0.00 C ATOM 1212 O VAL A 79 8.958 0.108 1.828 1.00 0.00 O ATOM 1213 CB VAL A 79 11.031 -0.351 -0.838 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.279 -0.229 -2.347 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.834 0.724 -0.092 1.00 0.00 C ATOM 0 H VAL A 79 8.995 1.643 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 79 9.021 -1.073 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 79 11.387 -1.330 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.351 -0.244 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.805 -1.064 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.857 0.708 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.881 0.668 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.439 1.710 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.753 0.559 0.982 1.00 0.00 H new ATOM 1225 N GLN A 80 9.703 -1.953 1.369 1.00 0.00 N ATOM 1226 CA GLN A 80 9.834 -2.442 2.741 1.00 0.00 C ATOM 1227 C GLN A 80 11.249 -2.991 2.973 1.00 0.00 C ATOM 1228 O GLN A 80 11.855 -3.561 2.064 1.00 0.00 O ATOM 1229 CB GLN A 80 8.766 -3.515 3.037 1.00 0.00 C ATOM 1230 CG GLN A 80 8.831 -4.720 2.081 1.00 0.00 C ATOM 1231 CD GLN A 80 8.078 -5.936 2.603 1.00 0.00 C ATOM 1232 OE1 GLN A 80 6.982 -6.247 2.171 1.00 0.00 O ATOM 1233 NE2 GLN A 80 8.640 -6.685 3.527 1.00 0.00 N ATOM 0 H GLN A 80 9.909 -2.674 0.677 1.00 0.00 H new ATOM 0 HA GLN A 80 9.673 -1.612 3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.888 -3.866 4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.777 -3.061 2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.419 -4.432 1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.874 -4.989 1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.557 -6.436 3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.159 -7.515 3.873 1.00 0.00 H new ATOM 1242 N TYR A 81 11.765 -2.851 4.196 1.00 0.00 N ATOM 1243 CA TYR A 81 13.051 -3.415 4.639 1.00 0.00 C ATOM 1244 C TYR A 81 13.111 -3.620 6.160 1.00 0.00 C ATOM 1245 O TYR A 81 12.456 -2.910 6.927 1.00 0.00 O ATOM 1246 CB TYR A 81 14.224 -2.562 4.132 1.00 0.00 C ATOM 1247 CG TYR A 81 14.096 -1.058 4.278 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.266 -0.436 5.531 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.832 -0.272 3.139 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.168 0.965 5.642 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.740 1.126 3.239 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.895 1.751 4.499 1.00 0.00 C ATOM 1253 OH TYR A 81 13.775 3.103 4.625 1.00 0.00 O ATOM 0 H TYR A 81 11.289 -2.327 4.930 1.00 0.00 H new ATOM 0 HA TYR A 81 13.138 -4.407 4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.125 -2.878 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.376 -2.788 3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.472 -1.034 6.407 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.699 -0.749 2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.302 1.440 6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.552 1.721 2.358 1.00 0.00 H new ATOM 0 HH TYR A 81 13.333 3.468 3.830 1.00 0.00 H new ATOM 1263 N ARG A 82 13.885 -4.607 6.615 1.00 0.00 N ATOM 1264 CA ARG A 82 14.076 -4.967 8.019 1.00 0.00 C ATOM 1265 C ARG A 82 15.063 -4.016 8.713 1.00 0.00 C ATOM 1266 O ARG A 82 16.069 -3.631 8.123 1.00 0.00 O ATOM 1267 CB ARG A 82 14.564 -6.415 7.965 1.00 0.00 C ATOM 1268 CG ARG A 82 15.024 -7.009 9.291 1.00 0.00 C ATOM 1269 CD ARG A 82 15.204 -8.524 9.160 1.00 0.00 C ATOM 1270 NE ARG A 82 15.989 -8.923 7.982 1.00 0.00 N ATOM 1271 CZ ARG A 82 15.806 -9.993 7.219 1.00 0.00 C ATOM 1272 NH1 ARG A 82 14.911 -10.922 7.469 1.00 0.00 N ATOM 1273 NH2 ARG A 82 16.535 -10.176 6.147 1.00 0.00 N ATOM 0 H ARG A 82 14.420 -5.204 5.984 1.00 0.00 H new ATOM 0 HA ARG A 82 13.167 -4.878 8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.759 -7.035 7.570 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.390 -6.474 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.964 -6.549 9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.293 -6.789 10.069 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.693 -8.903 10.058 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.222 -8.995 9.109 1.00 0.00 H new ATOM 0 HE ARG A 82 16.761 -8.308 7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.309 -10.843 8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.818 -11.722 6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.249 -9.494 5.893 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.389 -11.001 5.565 1.00 0.00 H new ATOM 1287 N ARG A 83 14.818 -3.657 9.983 1.00 0.00 N ATOM 1288 CA ARG A 83 15.647 -2.674 10.719 1.00 0.00 C ATOM 1289 C ARG A 83 17.142 -3.042 10.843 1.00 0.00 C ATOM 1290 O ARG A 83 17.965 -2.155 11.076 1.00 0.00 O ATOM 1291 CB ARG A 83 15.055 -2.398 12.116 1.00 0.00 C ATOM 1292 CG ARG A 83 13.810 -1.497 12.042 1.00 0.00 C ATOM 1293 CD ARG A 83 13.251 -1.103 13.419 1.00 0.00 C ATOM 1294 NE ARG A 83 14.226 -0.330 14.214 1.00 0.00 N ATOM 1295 CZ ARG A 83 13.971 0.647 15.081 1.00 0.00 C ATOM 1296 NH1 ARG A 83 12.761 1.110 15.306 1.00 0.00 N ATOM 1297 NH2 ARG A 83 14.966 1.186 15.751 1.00 0.00 N ATOM 0 H ARG A 83 14.045 -4.034 10.531 1.00 0.00 H new ATOM 0 HA ARG A 83 15.616 -1.772 10.108 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.792 -3.343 12.592 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.810 -1.924 12.743 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.060 -0.592 11.488 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.033 -2.012 11.478 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.344 -0.514 13.286 1.00 0.00 H new ATOM 0 HD3 ARG A 83 12.970 -2.003 13.966 1.00 0.00 H new ATOM 0 HE ARG A 83 15.208 -0.573 14.084 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.964 0.718 14.805 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.620 1.861 15.982 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.919 0.855 15.603 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.785 1.936 16.419 1.00 0.00 H new ATOM 1311 N ASN A 84 17.516 -4.313 10.654 1.00 0.00 N ATOM 1312 CA ASN A 84 18.913 -4.766 10.679 1.00 0.00 C ATOM 1313 C ASN A 84 19.720 -4.396 9.408 1.00 0.00 C ATOM 1314 O ASN A 84 20.948 -4.322 9.478 1.00 0.00 O ATOM 1315 CB ASN A 84 18.933 -6.278 10.956 1.00 0.00 C ATOM 1316 CG ASN A 84 20.333 -6.790 11.288 1.00 0.00 C ATOM 1317 OD1 ASN A 84 20.840 -6.586 12.386 1.00 0.00 O ATOM 1318 ND2 ASN A 84 20.995 -7.470 10.372 1.00 0.00 N ATOM 0 H ASN A 84 16.850 -5.065 10.477 1.00 0.00 H new ATOM 0 HA ASN A 84 19.423 -4.233 11.481 1.00 0.00 H new ATOM 0 HB2 ASN A 84 18.261 -6.502 11.785 1.00 0.00 H new ATOM 0 HB3 ASN A 84 18.552 -6.810 10.084 1.00 0.00 H new ATOM 0 HD21 ASN A 84 21.929 -7.826 10.577 1.00 0.00 H new ATOM 0 HD22 ASN A 84 20.573 -7.640 9.459 1.00 0.00 H new ATOM 1325 N GLU A 85 19.066 -4.117 8.268 1.00 0.00 N ATOM 1326 CA GLU A 85 19.723 -3.699 7.020 1.00 0.00 C ATOM 1327 C GLU A 85 18.782 -2.915 6.086 1.00 0.00 C ATOM 1328 O GLU A 85 17.692 -3.356 5.729 1.00 0.00 O ATOM 1329 CB GLU A 85 20.392 -4.880 6.288 1.00 0.00 C ATOM 1330 CG GLU A 85 19.480 -6.070 5.947 1.00 0.00 C ATOM 1331 CD GLU A 85 19.228 -7.000 7.137 1.00 0.00 C ATOM 1332 OE1 GLU A 85 20.186 -7.619 7.653 1.00 0.00 O ATOM 1333 OE2 GLU A 85 18.056 -7.133 7.545 1.00 0.00 O ATOM 0 H GLU A 85 18.051 -4.177 8.187 1.00 0.00 H new ATOM 0 HA GLU A 85 20.516 -3.012 7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 85 20.829 -4.506 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 85 21.214 -5.244 6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.525 -5.694 5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.930 -6.643 5.136 1.00 0.00 H new ATOM 1340 N HIS A 86 19.223 -1.734 5.656 1.00 0.00 N ATOM 1341 CA HIS A 86 18.426 -0.787 4.866 1.00 0.00 C ATOM 1342 C HIS A 86 18.479 -1.051 3.342 1.00 0.00 C ATOM 1343 O HIS A 86 17.545 -0.713 2.611 1.00 0.00 O ATOM 1344 CB HIS A 86 18.951 0.611 5.238 1.00 0.00 C ATOM 1345 CG HIS A 86 18.419 1.724 4.381 1.00 0.00 C ATOM 1346 ND1 HIS A 86 17.266 2.471 4.621 1.00 0.00 N ATOM 1347 CD2 HIS A 86 19.010 2.164 3.235 1.00 0.00 C ATOM 1348 CE1 HIS A 86 17.184 3.339 3.598 1.00 0.00 C ATOM 1349 NE2 HIS A 86 18.218 3.181 2.751 1.00 0.00 N ATOM 0 H HIS A 86 20.166 -1.398 5.850 1.00 0.00 H new ATOM 0 HA HIS A 86 17.367 -0.894 5.102 1.00 0.00 H new ATOM 0 HB2 HIS A 86 18.696 0.816 6.278 1.00 0.00 H new ATOM 0 HB3 HIS A 86 20.039 0.606 5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 86 19.921 1.789 2.793 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.395 4.065 3.473 1.00 0.00 H new ATOM 0 HE2 HIS A 86 18.385 3.719 1.901 1.00 0.00 H new ATOM 1357 N GLY A 87 19.568 -1.672 2.861 1.00 0.00 N ATOM 1358 CA GLY A 87 19.833 -1.885 1.430 1.00 0.00 C ATOM 1359 C GLY A 87 18.995 -3.021 0.848 1.00 0.00 C ATOM 1360 O GLY A 87 18.352 -2.844 -0.188 1.00 0.00 O ATOM 0 H GLY A 87 20.300 -2.046 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.624 -0.965 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.891 -2.107 1.288 1.00 0.00 H new ATOM 1364 N ARG A 88 18.955 -4.164 1.543 1.00 0.00 N ATOM 1365 CA ARG A 88 18.077 -5.296 1.224 1.00 0.00 C ATOM 1366 C ARG A 88 16.613 -4.882 1.441 1.00 0.00 C ATOM 1367 O ARG A 88 16.213 -4.599 2.570 1.00 0.00 O ATOM 1368 CB ARG A 88 18.483 -6.497 2.102 1.00 0.00 C ATOM 1369 CG ARG A 88 17.657 -7.773 1.876 1.00 0.00 C ATOM 1370 CD ARG A 88 17.855 -8.388 0.486 1.00 0.00 C ATOM 1371 NE ARG A 88 17.017 -9.585 0.329 1.00 0.00 N ATOM 1372 CZ ARG A 88 16.821 -10.287 -0.776 1.00 0.00 C ATOM 1373 NH1 ARG A 88 17.473 -10.042 -1.895 1.00 0.00 N ATOM 1374 NH2 ARG A 88 15.941 -11.258 -0.757 1.00 0.00 N ATOM 0 H ARG A 88 19.544 -4.331 2.359 1.00 0.00 H new ATOM 0 HA ARG A 88 18.180 -5.591 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 88 19.533 -6.724 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 88 18.398 -6.208 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.926 -8.510 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.601 -7.543 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 88 17.602 -7.656 -0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 88 18.904 -8.650 0.344 1.00 0.00 H new ATOM 0 HE ARG A 88 16.532 -9.911 1.165 1.00 0.00 H new ATOM 0 HH11 ARG A 88 18.158 -9.287 -1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.292 -10.607 -2.725 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.423 -11.460 0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.774 -11.812 -1.597 1.00 0.00 H new ATOM 1388 N ARG A 89 15.831 -4.832 0.357 1.00 0.00 N ATOM 1389 CA ARG A 89 14.464 -4.285 0.324 1.00 0.00 C ATOM 1390 C ARG A 89 13.595 -4.962 -0.743 1.00 0.00 C ATOM 1391 O ARG A 89 14.117 -5.506 -1.720 1.00 0.00 O ATOM 1392 CB ARG A 89 14.505 -2.749 0.161 1.00 0.00 C ATOM 1393 CG ARG A 89 15.019 -2.260 -1.203 1.00 0.00 C ATOM 1394 CD ARG A 89 15.540 -0.819 -1.127 1.00 0.00 C ATOM 1395 NE ARG A 89 15.932 -0.311 -2.455 1.00 0.00 N ATOM 1396 CZ ARG A 89 17.077 -0.530 -3.095 1.00 0.00 C ATOM 1397 NH1 ARG A 89 18.031 -1.293 -2.603 1.00 0.00 N ATOM 1398 NH2 ARG A 89 17.278 0.028 -4.269 1.00 0.00 N ATOM 0 H ARG A 89 16.138 -5.181 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 89 13.988 -4.507 1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.501 -2.354 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.138 -2.331 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.816 -2.918 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.216 -2.319 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.769 -0.175 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.396 -0.776 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 89 15.249 0.274 -2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.907 -1.744 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.894 -1.433 -3.129 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.559 0.623 -4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.153 -0.134 -4.768 1.00 0.00 H new ATOM 1412 N ARG A 90 12.272 -4.907 -0.562 1.00 0.00 N ATOM 1413 CA ARG A 90 11.257 -5.437 -1.490 1.00 0.00 C ATOM 1414 C ARG A 90 10.197 -4.371 -1.773 1.00 0.00 C ATOM 1415 O ARG A 90 9.863 -3.572 -0.904 1.00 0.00 O ATOM 1416 CB ARG A 90 10.603 -6.710 -0.911 1.00 0.00 C ATOM 1417 CG ARG A 90 11.555 -7.909 -0.733 1.00 0.00 C ATOM 1418 CD ARG A 90 12.142 -8.458 -2.042 1.00 0.00 C ATOM 1419 NE ARG A 90 11.097 -9.036 -2.909 1.00 0.00 N ATOM 1420 CZ ARG A 90 10.983 -8.933 -4.228 1.00 0.00 C ATOM 1421 NH1 ARG A 90 11.796 -8.205 -4.963 1.00 0.00 N ATOM 1422 NH2 ARG A 90 10.013 -9.575 -4.833 1.00 0.00 N ATOM 0 H ARG A 90 11.858 -4.477 0.265 1.00 0.00 H new ATOM 0 HA ARG A 90 11.746 -5.702 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.165 -6.467 0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.784 -7.009 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.375 -7.612 -0.079 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.018 -8.711 -0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.655 -7.657 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.889 -9.219 -1.815 1.00 0.00 H new ATOM 0 HE ARG A 90 10.375 -9.581 -2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.556 -7.687 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.666 -8.159 -5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.361 -10.142 -4.291 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.910 -9.507 -5.846 1.00 0.00 H new ATOM 1436 N LYS A 91 9.678 -4.335 -2.997 1.00 0.00 N ATOM 1437 CA LYS A 91 8.691 -3.344 -3.454 1.00 0.00 C ATOM 1438 C LYS A 91 7.328 -3.447 -2.737 1.00 0.00 C ATOM 1439 O LYS A 91 6.864 -4.545 -2.429 1.00 0.00 O ATOM 1440 CB LYS A 91 8.522 -3.525 -4.979 1.00 0.00 C ATOM 1441 CG LYS A 91 9.368 -2.587 -5.856 1.00 0.00 C ATOM 1442 CD LYS A 91 9.015 -1.097 -5.735 1.00 0.00 C ATOM 1443 CE LYS A 91 7.529 -0.803 -5.988 1.00 0.00 C ATOM 1444 NZ LYS A 91 7.190 0.592 -5.623 1.00 0.00 N ATOM 0 H LYS A 91 9.934 -5.007 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 91 9.064 -2.350 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.771 -4.555 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.471 -3.379 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.418 -2.719 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.257 -2.889 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.283 -0.747 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.617 -0.529 -6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.295 -0.974 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.915 -1.493 -5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.173 0.753 -5.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.423 0.756 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.735 1.249 -6.217 1.00 0.00 H new ATOM 1458 N ILE A 92 6.645 -2.312 -2.547 1.00 0.00 N ATOM 1459 CA ILE A 92 5.233 -2.237 -2.110 1.00 0.00 C ATOM 1460 C ILE A 92 4.440 -1.294 -3.030 1.00 0.00 C ATOM 1461 O ILE A 92 5.030 -0.541 -3.809 1.00 0.00 O ATOM 1462 CB ILE A 92 5.088 -1.864 -0.609 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.463 -0.395 -0.359 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.902 -2.807 0.288 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.365 0.088 1.090 1.00 0.00 C ATOM 0 H ILE A 92 7.063 -1.394 -2.695 1.00 0.00 H new ATOM 0 HA ILE A 92 4.804 -3.235 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 92 4.038 -1.987 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.485 -0.238 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.819 0.233 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.776 -2.516 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.552 -3.830 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.956 -2.745 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.653 1.138 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.340 -0.025 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.032 -0.504 1.717 1.00 0.00 H new ATOM 1477 N LYS A 93 3.110 -1.321 -2.934 1.00 0.00 N ATOM 1478 CA LYS A 93 2.197 -0.441 -3.676 1.00 0.00 C ATOM 1479 C LYS A 93 0.837 -0.254 -2.973 1.00 0.00 C ATOM 1480 O LYS A 93 0.463 -1.035 -2.094 1.00 0.00 O ATOM 1481 CB LYS A 93 2.014 -0.954 -5.126 1.00 0.00 C ATOM 1482 CG LYS A 93 1.231 -2.278 -5.218 1.00 0.00 C ATOM 1483 CD LYS A 93 0.799 -2.593 -6.656 1.00 0.00 C ATOM 1484 CE LYS A 93 0.011 -3.912 -6.688 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.800 -4.041 -7.925 1.00 0.00 N ATOM 0 H LYS A 93 2.621 -1.973 -2.321 1.00 0.00 H new ATOM 0 HA LYS A 93 2.659 0.546 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.495 -0.193 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.995 -1.089 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.849 -3.092 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.350 -2.223 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.184 -1.782 -7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.675 -2.667 -7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.704 -4.751 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.643 -3.966 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.054 -5.039 -8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.667 -3.474 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.249 -3.701 -8.739 1.00 0.00 H new ATOM 1499 N ARG A 94 0.085 0.754 -3.428 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.329 1.000 -3.104 1.00 0.00 C ATOM 1501 C ARG A 94 -2.207 0.615 -4.304 1.00 0.00 C ATOM 1502 O ARG A 94 -1.800 0.781 -5.456 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.523 2.482 -2.749 1.00 0.00 C ATOM 1504 CG ARG A 94 -1.131 2.764 -1.292 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.049 4.267 -0.995 1.00 0.00 C ATOM 1506 NE ARG A 94 0.243 4.830 -1.429 1.00 0.00 N ATOM 1507 CZ ARG A 94 0.624 6.098 -1.327 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -0.160 7.026 -0.819 1.00 0.00 N ATOM 1509 NH2 ARG A 94 1.820 6.453 -1.741 1.00 0.00 N ATOM 0 H ARG A 94 0.462 1.457 -4.064 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.621 0.392 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.921 3.099 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.564 2.763 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.860 2.303 -0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.167 2.300 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.863 4.785 -1.503 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.181 4.436 0.074 1.00 0.00 H new ATOM 0 HE ARG A 94 0.909 4.182 -1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.093 6.780 -0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.166 7.991 -0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.450 5.756 -2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.118 7.426 -1.665 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.410 0.117 -4.038 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.386 -0.329 -5.039 1.00 0.00 C ATOM 1525 C ASP A 95 -5.834 -0.199 -4.530 1.00 0.00 C ATOM 1526 O ASP A 95 -6.082 0.219 -3.397 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.082 -1.780 -5.467 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.137 -1.957 -6.991 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.176 -1.595 -7.589 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -3.144 -2.460 -7.573 1.00 0.00 O ATOM 0 H ASP A 95 -3.750 0.007 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.294 0.323 -5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.094 -2.065 -5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.800 -2.453 -4.998 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.798 -0.573 -5.374 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.243 -0.448 -5.146 1.00 0.00 C ATOM 1537 C ILE A 96 -8.945 -1.773 -5.461 1.00 0.00 C ATOM 1538 O ILE A 96 -8.637 -2.444 -6.450 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.826 0.689 -6.017 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -8.119 2.042 -5.802 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.341 0.863 -5.774 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.362 2.636 -4.416 1.00 0.00 C ATOM 0 H ILE A 96 -6.584 -0.992 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.412 -0.204 -4.097 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.652 0.383 -7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.047 1.912 -5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.463 2.748 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.720 1.670 -6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.858 -0.064 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.516 1.106 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.837 3.587 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.430 2.797 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.993 1.948 -3.655 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.921 -2.126 -4.628 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.834 -3.258 -4.863 1.00 0.00 C ATOM 1556 C ILE A 97 -12.074 -2.789 -5.635 1.00 0.00 C ATOM 1557 O ILE A 97 -12.614 -1.720 -5.351 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.254 -3.920 -3.537 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -10.057 -4.405 -2.700 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.211 -5.090 -3.802 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.544 -3.329 -1.735 1.00 0.00 C ATOM 0 H ILE A 97 -10.108 -1.631 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.303 -4.000 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.761 -3.150 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.348 -5.289 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.249 -4.706 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.498 -5.547 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.101 -4.723 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.714 -5.832 -4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.700 -3.721 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.226 -2.454 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.342 -3.046 -1.048 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.553 -3.613 -6.569 1.00 0.00 N ATOM 1574 CA ASP A 98 -13.710 -3.292 -7.420 1.00 0.00 C ATOM 1575 C ASP A 98 -15.044 -3.949 -6.992 1.00 0.00 C ATOM 1576 O ASP A 98 -16.107 -3.455 -7.366 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.358 -3.609 -8.882 1.00 0.00 C ATOM 1578 CG ASP A 98 -14.376 -3.029 -9.880 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -14.528 -1.783 -9.928 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -14.981 -3.815 -10.646 1.00 0.00 O ATOM 0 H ASP A 98 -12.149 -4.530 -6.761 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.902 -2.226 -7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.368 -3.211 -9.107 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.304 -4.690 -9.012 1.00 0.00 H new ATOM 1585 N ILE A 99 -14.977 -5.009 -6.169 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.086 -5.752 -5.517 1.00 0.00 C ATOM 1587 C ILE A 99 -16.820 -6.701 -6.509 1.00 0.00 C ATOM 1588 O ILE A 99 -17.218 -6.261 -7.594 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.068 -4.806 -4.762 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.364 -3.839 -3.777 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.175 -5.574 -4.019 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.698 -4.510 -2.568 1.00 0.00 C ATOM 0 H ILE A 99 -14.072 -5.407 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.631 -6.389 -4.759 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.522 -4.206 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.607 -3.277 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.097 -3.118 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.830 -4.867 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.756 -6.157 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.724 -6.243 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.234 -3.750 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.450 -5.048 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.937 -5.209 -2.914 1.00 0.00 H new