USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 590 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 61 ASN : amide:sc= -0.314 K(o=-0.31,f=0.4) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 36 THR OG1 : rot 178:sc= 0.0716 USER MOD Set 2.2: A 66 CYS SG : rot 27:sc= 0.311 USER MOD Set 3.1: A 23 HIS : no HD1:sc= -0.23 K(o=-1.8,f=-2.9) USER MOD Set 3.2: A 25 MET CE :methyl -106:sc= -1.53 (180deg=-4.42!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.569 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.75! K(o=-1.7!,f=-0.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 41:sc= 0.853 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 150:sc= -0.062 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.393 USER MOD Single : A 70 TYR OH : rot -121:sc= -6.03! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -44:sc= 1.26 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -3.36 K(o=-3.4,f=-5.2!) USER MOD Single : A 92 SER OG : rot -110:sc= -0.168 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.127 USER MOD ----------------------------------------------------------------- ATOM 178 N SER A 15 -5.673 -7.668 5.982 1.00 0.00 N ATOM 179 CA SER A 15 -6.102 -6.275 6.008 1.00 0.00 C ATOM 180 C SER A 15 -4.910 -5.343 6.207 1.00 0.00 C ATOM 181 O SER A 15 -3.955 -5.680 6.908 1.00 0.00 O ATOM 182 CB SER A 15 -7.127 -6.055 7.122 1.00 0.00 C ATOM 183 OG SER A 15 -7.831 -4.840 6.935 1.00 0.00 O ATOM 0 HA SER A 15 -6.565 -6.045 5.048 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.831 -6.887 7.142 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.622 -6.041 8.088 1.00 0.00 H new ATOM 0 HG SER A 15 -8.481 -4.724 7.659 1.00 0.00 H new ATOM 189 N ALA A 16 -4.973 -4.171 5.586 1.00 0.00 N ATOM 190 CA ALA A 16 -3.900 -3.189 5.696 1.00 0.00 C ATOM 191 C ALA A 16 -4.358 -1.961 6.475 1.00 0.00 C ATOM 192 O ALA A 16 -5.530 -1.586 6.429 1.00 0.00 O ATOM 193 CB ALA A 16 -3.410 -2.786 4.313 1.00 0.00 C ATOM 0 H ALA A 16 -5.755 -3.877 5.001 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.076 -3.647 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.609 -2.053 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.035 -3.665 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.234 -2.351 3.748 1.00 0.00 H new ATOM 199 N TYR A 17 -3.427 -1.340 7.191 1.00 0.00 N ATOM 200 CA TYR A 17 -3.736 -0.156 7.984 1.00 0.00 C ATOM 201 C TYR A 17 -2.488 0.695 8.201 1.00 0.00 C ATOM 202 O TYR A 17 -1.443 0.192 8.610 1.00 0.00 O ATOM 203 CB TYR A 17 -4.331 -0.561 9.333 1.00 0.00 C ATOM 204 CG TYR A 17 -3.356 -1.288 10.232 1.00 0.00 C ATOM 205 CD1 TYR A 17 -2.534 -0.589 11.106 1.00 0.00 C ATOM 206 CD2 TYR A 17 -3.258 -2.674 10.205 1.00 0.00 C ATOM 207 CE1 TYR A 17 -1.641 -1.249 11.929 1.00 0.00 C ATOM 208 CE2 TYR A 17 -2.369 -3.342 11.025 1.00 0.00 C ATOM 209 CZ TYR A 17 -1.563 -2.626 11.885 1.00 0.00 C ATOM 210 OH TYR A 17 -0.675 -3.287 12.702 1.00 0.00 O ATOM 0 H TYR A 17 -2.452 -1.637 7.238 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.468 0.437 7.435 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.688 0.332 9.846 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.198 -1.198 9.161 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.593 0.489 11.143 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.887 -3.238 9.532 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.008 -0.690 12.603 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.306 -4.420 10.993 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.746 -4.252 12.549 1.00 0.00 H new ATOM 220 N GLY A 18 -2.607 1.990 7.922 1.00 0.00 N ATOM 221 CA GLY A 18 -1.483 2.891 8.093 1.00 0.00 C ATOM 222 C GLY A 18 -1.792 4.299 7.623 1.00 0.00 C ATOM 223 O GLY A 18 -2.851 4.568 7.055 1.00 0.00 O ATOM 0 H GLY A 18 -3.461 2.430 7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.199 2.917 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.626 2.507 7.540 1.00 0.00 H new ATOM 227 N PRO A 19 -0.853 5.226 7.862 1.00 0.00 N ATOM 228 CA PRO A 19 -1.008 6.630 7.468 1.00 0.00 C ATOM 229 C PRO A 19 -0.948 6.818 5.956 1.00 0.00 C ATOM 230 O PRO A 19 -1.697 7.613 5.390 1.00 0.00 O ATOM 231 CB PRO A 19 0.181 7.320 8.140 1.00 0.00 C ATOM 232 CG PRO A 19 1.202 6.247 8.300 1.00 0.00 C ATOM 233 CD PRO A 19 0.433 4.976 8.534 1.00 0.00 C ATOM 0 HA PRO A 19 -1.976 7.032 7.766 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.560 8.139 7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.101 7.745 9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.827 6.167 7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.866 6.461 9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.946 4.112 8.111 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.299 4.778 9.597 1.00 0.00 H new ATOM 241 N GLY A 20 -0.053 6.079 5.307 1.00 0.00 N ATOM 242 CA GLY A 20 0.087 6.179 3.866 1.00 0.00 C ATOM 243 C GLY A 20 -1.152 5.710 3.130 1.00 0.00 C ATOM 244 O GLY A 20 -1.487 6.235 2.066 1.00 0.00 O ATOM 0 H GLY A 20 0.577 5.413 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.297 7.214 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.943 5.586 3.545 1.00 0.00 H new ATOM 248 N LEU A 21 -1.833 4.719 3.693 1.00 0.00 N ATOM 249 CA LEU A 21 -3.042 4.178 3.082 1.00 0.00 C ATOM 250 C LEU A 21 -4.205 5.156 3.216 1.00 0.00 C ATOM 251 O LEU A 21 -4.939 5.397 2.258 1.00 0.00 O ATOM 252 CB LEU A 21 -3.409 2.840 3.727 1.00 0.00 C ATOM 253 CG LEU A 21 -2.420 1.695 3.505 1.00 0.00 C ATOM 254 CD1 LEU A 21 -2.771 0.508 4.389 1.00 0.00 C ATOM 255 CD2 LEU A 21 -2.401 1.284 2.040 1.00 0.00 C ATOM 0 H LEU A 21 -1.569 4.273 4.572 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.844 4.021 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.520 2.995 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.383 2.531 3.347 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.423 2.043 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.057 -0.297 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.733 0.810 5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.775 0.159 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.692 0.468 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.396 0.955 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.101 2.134 1.427 1.00 0.00 H new ATOM 267 N SER A 22 -4.365 5.717 4.410 1.00 0.00 N ATOM 268 CA SER A 22 -5.440 6.668 4.670 1.00 0.00 C ATOM 269 C SER A 22 -5.252 7.938 3.847 1.00 0.00 C ATOM 270 O SER A 22 -6.214 8.500 3.322 1.00 0.00 O ATOM 271 CB SER A 22 -5.493 7.014 6.159 1.00 0.00 C ATOM 272 OG SER A 22 -6.150 5.998 6.896 1.00 0.00 O ATOM 0 H SER A 22 -3.764 5.530 5.213 1.00 0.00 H new ATOM 0 HA SER A 22 -6.382 6.204 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.481 7.148 6.541 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.013 7.962 6.297 1.00 0.00 H new ATOM 0 HG SER A 22 -6.169 6.242 7.845 1.00 0.00 H new ATOM 278 N HIS A 23 -4.005 8.387 3.738 1.00 0.00 N ATOM 279 CA HIS A 23 -3.689 9.591 2.978 1.00 0.00 C ATOM 280 C HIS A 23 -2.181 9.808 2.907 1.00 0.00 C ATOM 281 O HIS A 23 -1.402 8.997 3.407 1.00 0.00 O ATOM 282 CB HIS A 23 -4.363 10.809 3.610 1.00 0.00 C ATOM 283 CG HIS A 23 -3.923 11.074 5.017 1.00 0.00 C ATOM 284 ND1 HIS A 23 -4.437 10.401 6.105 1.00 0.00 N ATOM 285 CD2 HIS A 23 -3.011 11.944 5.511 1.00 0.00 C ATOM 286 CE1 HIS A 23 -3.861 10.846 7.208 1.00 0.00 C ATOM 287 NE2 HIS A 23 -2.992 11.783 6.875 1.00 0.00 N ATOM 0 H HIS A 23 -3.197 7.935 4.166 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.067 9.461 1.964 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.152 11.688 3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.443 10.664 3.597 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.410 12.636 4.939 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.066 10.502 8.211 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.402 12.303 7.525 1.00 0.00 H new ATOM 296 N GLY A 24 -1.775 10.910 2.282 1.00 0.00 N ATOM 297 CA GLY A 24 -0.361 11.213 2.156 1.00 0.00 C ATOM 298 C GLY A 24 -0.108 12.478 1.361 1.00 0.00 C ATOM 299 O GLY A 24 -1.047 13.173 0.972 1.00 0.00 O ATOM 0 H GLY A 24 -2.400 11.598 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.075 11.319 3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.145 10.377 1.673 1.00 0.00 H new ATOM 303 N MET A 25 1.163 12.779 1.119 1.00 0.00 N ATOM 304 CA MET A 25 1.536 13.970 0.365 1.00 0.00 C ATOM 305 C MET A 25 2.499 13.619 -0.766 1.00 0.00 C ATOM 306 O MET A 25 3.121 12.557 -0.756 1.00 0.00 O ATOM 307 CB MET A 25 2.175 15.007 1.290 1.00 0.00 C ATOM 308 CG MET A 25 1.234 15.522 2.367 1.00 0.00 C ATOM 309 SD MET A 25 1.285 14.526 3.869 1.00 0.00 S ATOM 310 CE MET A 25 -0.448 14.116 4.061 1.00 0.00 C ATOM 0 H MET A 25 1.952 12.215 1.434 1.00 0.00 H new ATOM 0 HA MET A 25 0.630 14.391 -0.070 1.00 0.00 H new ATOM 0 HB2 MET A 25 3.052 14.567 1.765 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.525 15.848 0.692 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.495 16.552 2.610 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.216 15.534 1.978 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.872 14.700 4.878 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.980 14.345 3.138 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.548 13.054 4.284 1.00 0.00 H new ATOM 320 N VAL A 26 2.615 14.517 -1.738 1.00 0.00 N ATOM 321 CA VAL A 26 3.503 14.302 -2.875 1.00 0.00 C ATOM 322 C VAL A 26 4.963 14.281 -2.437 1.00 0.00 C ATOM 323 O VAL A 26 5.356 14.999 -1.519 1.00 0.00 O ATOM 324 CB VAL A 26 3.315 15.392 -3.947 1.00 0.00 C ATOM 325 CG1 VAL A 26 4.296 15.189 -5.092 1.00 0.00 C ATOM 326 CG2 VAL A 26 1.882 15.396 -4.457 1.00 0.00 C ATOM 0 H VAL A 26 2.106 15.400 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 26 3.242 13.334 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 26 3.518 16.362 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.149 15.968 -5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.316 15.240 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.127 14.213 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.767 16.172 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.649 14.425 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.202 15.593 -3.629 1.00 0.00 H new ATOM 336 N ASN A 27 5.762 13.453 -3.101 1.00 0.00 N ATOM 337 CA ASN A 27 7.180 13.338 -2.779 1.00 0.00 C ATOM 338 C ASN A 27 7.376 12.817 -1.359 1.00 0.00 C ATOM 339 O ASN A 27 8.368 13.132 -0.701 1.00 0.00 O ATOM 340 CB ASN A 27 7.872 14.694 -2.937 1.00 0.00 C ATOM 341 CG ASN A 27 8.385 14.921 -4.346 1.00 0.00 C ATOM 342 OD1 ASN A 27 9.427 14.392 -4.732 1.00 0.00 O ATOM 343 ND2 ASN A 27 7.652 15.711 -5.122 1.00 0.00 N ATOM 0 H ASN A 27 5.452 12.852 -3.865 1.00 0.00 H new ATOM 0 HA ASN A 27 7.627 12.626 -3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.173 15.488 -2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.704 14.758 -2.236 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.946 15.900 -6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.795 16.128 -4.760 1.00 0.00 H new ATOM 350 N LYS A 28 6.423 12.018 -0.891 1.00 0.00 N ATOM 351 CA LYS A 28 6.489 11.451 0.451 1.00 0.00 C ATOM 352 C LYS A 28 6.189 9.956 0.425 1.00 0.00 C ATOM 353 O LYS A 28 5.185 9.509 -0.130 1.00 0.00 O ATOM 354 CB LYS A 28 5.502 12.164 1.378 1.00 0.00 C ATOM 355 CG LYS A 28 5.777 13.650 1.532 1.00 0.00 C ATOM 356 CD LYS A 28 7.067 13.901 2.296 1.00 0.00 C ATOM 357 CE LYS A 28 6.900 13.615 3.780 1.00 0.00 C ATOM 358 NZ LYS A 28 6.402 14.807 4.522 1.00 0.00 N ATOM 0 H LYS A 28 5.595 11.748 -1.422 1.00 0.00 H new ATOM 0 HA LYS A 28 7.501 11.594 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.492 12.028 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.534 11.693 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.840 14.114 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.945 14.123 2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.860 13.272 1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.378 14.936 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.204 12.787 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.856 13.300 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.301 14.571 5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.078 15.590 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.478 15.093 4.139 1.00 0.00 H new ATOM 372 N PRO A 29 7.079 9.162 1.039 1.00 0.00 N ATOM 373 CA PRO A 29 6.929 7.705 1.102 1.00 0.00 C ATOM 374 C PRO A 29 5.777 7.279 2.006 1.00 0.00 C ATOM 375 O PRO A 29 5.907 7.271 3.229 1.00 0.00 O ATOM 376 CB PRO A 29 8.266 7.236 1.682 1.00 0.00 C ATOM 377 CG PRO A 29 8.773 8.403 2.456 1.00 0.00 C ATOM 378 CD PRO A 29 8.299 9.626 1.721 1.00 0.00 C ATOM 0 HA PRO A 29 6.698 7.276 0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.136 6.363 2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.962 6.952 0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.392 8.389 3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.861 8.385 2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.089 10.449 2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.045 9.983 1.011 1.00 0.00 H new ATOM 386 N ALA A 30 4.651 6.925 1.395 1.00 0.00 N ATOM 387 CA ALA A 30 3.478 6.496 2.145 1.00 0.00 C ATOM 388 C ALA A 30 3.705 5.130 2.784 1.00 0.00 C ATOM 389 O ALA A 30 3.541 4.095 2.138 1.00 0.00 O ATOM 390 CB ALA A 30 2.256 6.460 1.239 1.00 0.00 C ATOM 0 H ALA A 30 4.527 6.927 0.383 1.00 0.00 H new ATOM 0 HA ALA A 30 3.304 7.218 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.387 6.138 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.074 7.455 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.430 5.761 0.421 1.00 0.00 H new ATOM 396 N THR A 31 4.084 5.134 4.059 1.00 0.00 N ATOM 397 CA THR A 31 4.335 3.896 4.785 1.00 0.00 C ATOM 398 C THR A 31 3.068 3.390 5.465 1.00 0.00 C ATOM 399 O THR A 31 2.288 4.173 6.007 1.00 0.00 O ATOM 400 CB THR A 31 5.435 4.081 5.847 1.00 0.00 C ATOM 401 OG1 THR A 31 4.947 4.893 6.921 1.00 0.00 O ATOM 402 CG2 THR A 31 6.672 4.725 5.239 1.00 0.00 C ATOM 0 H THR A 31 4.224 5.981 4.609 1.00 0.00 H new ATOM 0 HA THR A 31 4.668 3.162 4.051 1.00 0.00 H new ATOM 0 HB THR A 31 5.708 3.098 6.230 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.652 5.005 7.593 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.435 4.845 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.058 4.090 4.441 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.411 5.701 4.831 1.00 0.00 H new ATOM 410 N PHE A 32 2.869 2.076 5.433 1.00 0.00 N ATOM 411 CA PHE A 32 1.695 1.466 6.046 1.00 0.00 C ATOM 412 C PHE A 32 2.001 0.045 6.511 1.00 0.00 C ATOM 413 O PHE A 32 3.064 -0.502 6.216 1.00 0.00 O ATOM 414 CB PHE A 32 0.527 1.451 5.058 1.00 0.00 C ATOM 415 CG PHE A 32 0.853 0.779 3.755 1.00 0.00 C ATOM 416 CD1 PHE A 32 1.594 1.437 2.787 1.00 0.00 C ATOM 417 CD2 PHE A 32 0.418 -0.512 3.498 1.00 0.00 C ATOM 418 CE1 PHE A 32 1.895 0.821 1.587 1.00 0.00 C ATOM 419 CE2 PHE A 32 0.716 -1.133 2.300 1.00 0.00 C ATOM 420 CZ PHE A 32 1.456 -0.466 1.343 1.00 0.00 C ATOM 0 H PHE A 32 3.505 1.414 4.989 1.00 0.00 H new ATOM 0 HA PHE A 32 1.419 2.063 6.915 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.321 0.943 5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.215 2.477 4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.940 2.443 2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.160 -1.038 4.243 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.473 1.345 0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.371 -2.139 2.112 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.691 -0.950 0.406 1.00 0.00 H new ATOM 430 N THR A 33 1.062 -0.547 7.242 1.00 0.00 N ATOM 431 CA THR A 33 1.230 -1.902 7.751 1.00 0.00 C ATOM 432 C THR A 33 0.239 -2.861 7.100 1.00 0.00 C ATOM 433 O THR A 33 -0.947 -2.554 6.981 1.00 0.00 O ATOM 434 CB THR A 33 1.050 -1.956 9.280 1.00 0.00 C ATOM 435 OG1 THR A 33 2.243 -1.503 9.929 1.00 0.00 O ATOM 436 CG2 THR A 33 0.722 -3.369 9.737 1.00 0.00 C ATOM 0 H THR A 33 0.176 -0.109 7.495 1.00 0.00 H new ATOM 0 HA THR A 33 2.246 -2.208 7.502 1.00 0.00 H new ATOM 0 HB THR A 33 0.220 -1.303 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.120 -1.539 10.901 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.600 -3.382 10.820 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.202 -3.699 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.534 -4.040 9.456 1.00 0.00 H new ATOM 444 N ILE A 34 0.733 -4.021 6.682 1.00 0.00 N ATOM 445 CA ILE A 34 -0.110 -5.025 6.045 1.00 0.00 C ATOM 446 C ILE A 34 -0.129 -6.319 6.851 1.00 0.00 C ATOM 447 O ILE A 34 0.904 -6.962 7.039 1.00 0.00 O ATOM 448 CB ILE A 34 0.364 -5.332 4.612 1.00 0.00 C ATOM 449 CG1 ILE A 34 0.673 -4.034 3.864 1.00 0.00 C ATOM 450 CG2 ILE A 34 -0.688 -6.141 3.868 1.00 0.00 C ATOM 451 CD1 ILE A 34 1.507 -4.238 2.619 1.00 0.00 C ATOM 0 H ILE A 34 1.713 -4.289 6.773 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.117 -4.611 6.004 1.00 0.00 H new ATOM 0 HB ILE A 34 1.278 -5.924 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.264 -3.551 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.197 -3.353 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.338 -6.350 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.863 -7.080 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.617 -5.573 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.687 -3.276 2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.460 -4.693 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.976 -4.893 1.929 1.00 0.00 H new ATOM 463 N VAL A 35 -1.312 -6.697 7.325 1.00 0.00 N ATOM 464 CA VAL A 35 -1.467 -7.917 8.109 1.00 0.00 C ATOM 465 C VAL A 35 -1.228 -9.155 7.252 1.00 0.00 C ATOM 466 O VAL A 35 -2.059 -9.516 6.417 1.00 0.00 O ATOM 467 CB VAL A 35 -2.869 -8.005 8.740 1.00 0.00 C ATOM 468 CG1 VAL A 35 -3.012 -9.284 9.550 1.00 0.00 C ATOM 469 CG2 VAL A 35 -3.142 -6.783 9.604 1.00 0.00 C ATOM 0 H VAL A 35 -2.177 -6.176 7.180 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.722 -7.879 8.903 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.608 -8.027 7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.009 -9.328 9.988 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.863 -10.146 8.899 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.266 -9.297 10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.137 -6.862 10.042 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.399 -6.726 10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.086 -5.884 8.991 1.00 0.00 H new ATOM 479 N THR A 36 -0.088 -9.804 7.464 1.00 0.00 N ATOM 480 CA THR A 36 0.261 -11.002 6.711 1.00 0.00 C ATOM 481 C THR A 36 0.803 -12.091 7.630 1.00 0.00 C ATOM 482 O THR A 36 1.589 -12.940 7.208 1.00 0.00 O ATOM 483 CB THR A 36 1.309 -10.697 5.623 1.00 0.00 C ATOM 484 OG1 THR A 36 2.338 -9.856 6.157 1.00 0.00 O ATOM 485 CG2 THR A 36 0.663 -10.017 4.425 1.00 0.00 C ATOM 0 H THR A 36 0.610 -9.520 8.151 1.00 0.00 H new ATOM 0 HA THR A 36 -0.655 -11.354 6.235 1.00 0.00 H new ATOM 0 HB THR A 36 1.745 -11.640 5.294 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.016 -9.691 5.469 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.422 -9.812 3.670 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.100 -10.671 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.204 -9.081 4.742 1.00 0.00 H new ATOM 493 N LYS A 37 0.377 -12.062 8.888 1.00 0.00 N ATOM 494 CA LYS A 37 0.817 -13.049 9.868 1.00 0.00 C ATOM 495 C LYS A 37 0.131 -14.391 9.634 1.00 0.00 C ATOM 496 O LYS A 37 0.791 -15.421 9.501 1.00 0.00 O ATOM 497 CB LYS A 37 0.524 -12.554 11.286 1.00 0.00 C ATOM 498 CG LYS A 37 0.481 -13.665 12.321 1.00 0.00 C ATOM 499 CD LYS A 37 0.856 -13.156 13.702 1.00 0.00 C ATOM 500 CE LYS A 37 1.077 -14.301 14.678 1.00 0.00 C ATOM 501 NZ LYS A 37 1.482 -13.812 16.025 1.00 0.00 N ATOM 0 H LYS A 37 -0.273 -11.366 9.253 1.00 0.00 H new ATOM 0 HA LYS A 37 1.892 -13.186 9.752 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.286 -11.830 11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.431 -12.029 11.289 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.519 -14.097 12.351 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.164 -14.463 12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.762 -12.554 13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.067 -12.504 14.077 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.162 -14.886 14.764 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.846 -14.968 14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.623 -14.623 16.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.369 -13.275 15.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.737 -13.196 16.409 1.00 0.00 H new ATOM 573 N LEU A 44 1.631 -12.627 -2.587 1.00 0.00 N ATOM 574 CA LEU A 44 1.104 -11.275 -2.437 1.00 0.00 C ATOM 575 C LEU A 44 1.605 -10.369 -3.557 1.00 0.00 C ATOM 576 O LEU A 44 2.789 -10.381 -3.896 1.00 0.00 O ATOM 577 CB LEU A 44 1.505 -10.697 -1.079 1.00 0.00 C ATOM 578 CG LEU A 44 0.737 -9.456 -0.625 1.00 0.00 C ATOM 579 CD1 LEU A 44 -0.654 -9.835 -0.141 1.00 0.00 C ATOM 580 CD2 LEU A 44 1.503 -8.725 0.468 1.00 0.00 C ATOM 0 HA LEU A 44 0.017 -11.327 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.379 -11.474 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.567 -10.452 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 44 0.632 -8.786 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.185 -8.938 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.204 -10.313 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.572 -10.526 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.941 -7.844 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.640 -9.388 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.477 -8.418 0.087 1.00 0.00 H new ATOM 592 N SER A 45 0.698 -9.581 -4.125 1.00 0.00 N ATOM 593 CA SER A 45 1.047 -8.669 -5.207 1.00 0.00 C ATOM 594 C SER A 45 0.911 -7.217 -4.759 1.00 0.00 C ATOM 595 O SER A 45 0.032 -6.880 -3.965 1.00 0.00 O ATOM 596 CB SER A 45 0.158 -8.924 -6.425 1.00 0.00 C ATOM 597 OG SER A 45 0.437 -10.186 -7.005 1.00 0.00 O ATOM 0 H SER A 45 -0.285 -9.556 -3.853 1.00 0.00 H new ATOM 0 HA SER A 45 2.086 -8.851 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.890 -8.880 -6.130 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.314 -8.138 -7.164 1.00 0.00 H new ATOM 0 HG SER A 45 -0.146 -10.326 -7.781 1.00 0.00 H new ATOM 603 N LEU A 46 1.788 -6.361 -5.273 1.00 0.00 N ATOM 604 CA LEU A 46 1.767 -4.944 -4.927 1.00 0.00 C ATOM 605 C LEU A 46 1.807 -4.076 -6.180 1.00 0.00 C ATOM 606 O LEU A 46 2.737 -4.168 -6.981 1.00 0.00 O ATOM 607 CB LEU A 46 2.950 -4.603 -4.019 1.00 0.00 C ATOM 608 CG LEU A 46 2.843 -5.081 -2.570 1.00 0.00 C ATOM 609 CD1 LEU A 46 4.217 -5.121 -1.919 1.00 0.00 C ATOM 610 CD2 LEU A 46 1.903 -4.182 -1.780 1.00 0.00 C ATOM 0 H LEU A 46 2.522 -6.624 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 46 0.838 -4.739 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.853 -5.030 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.079 -3.521 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 46 2.433 -6.091 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.122 -5.463 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.861 -5.806 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.654 -4.123 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.839 -4.537 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.284 -3.161 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.912 -4.204 -2.234 1.00 0.00 H new ATOM 622 N ALA A 47 0.793 -3.233 -6.343 1.00 0.00 N ATOM 623 CA ALA A 47 0.715 -2.346 -7.497 1.00 0.00 C ATOM 624 C ALA A 47 -0.261 -1.202 -7.244 1.00 0.00 C ATOM 625 O ALA A 47 -1.358 -1.411 -6.726 1.00 0.00 O ATOM 626 CB ALA A 47 0.306 -3.127 -8.737 1.00 0.00 C ATOM 0 H ALA A 47 0.014 -3.146 -5.690 1.00 0.00 H new ATOM 0 HA ALA A 47 1.703 -1.917 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.252 -2.452 -9.591 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.043 -3.905 -8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.670 -3.584 -8.574 1.00 0.00 H new ATOM 632 N VAL A 48 0.145 0.009 -7.613 1.00 0.00 N ATOM 633 CA VAL A 48 -0.694 1.187 -7.427 1.00 0.00 C ATOM 634 C VAL A 48 -1.133 1.766 -8.767 1.00 0.00 C ATOM 635 O VAL A 48 -0.350 1.825 -9.714 1.00 0.00 O ATOM 636 CB VAL A 48 0.040 2.278 -6.624 1.00 0.00 C ATOM 637 CG1 VAL A 48 -0.852 3.495 -6.438 1.00 0.00 C ATOM 638 CG2 VAL A 48 0.498 1.732 -5.280 1.00 0.00 C ATOM 0 H VAL A 48 1.050 0.200 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.573 0.865 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 48 0.922 2.587 -7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.317 4.255 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.126 3.898 -7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.754 3.206 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.015 2.516 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.368 1.395 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.176 0.894 -5.440 1.00 0.00 H new ATOM 648 N GLU A 49 -2.390 2.194 -8.837 1.00 0.00 N ATOM 649 CA GLU A 49 -2.933 2.768 -10.062 1.00 0.00 C ATOM 650 C GLU A 49 -3.574 4.126 -9.789 1.00 0.00 C ATOM 651 O GLU A 49 -4.629 4.212 -9.161 1.00 0.00 O ATOM 652 CB GLU A 49 -3.962 1.822 -10.683 1.00 0.00 C ATOM 653 CG GLU A 49 -3.344 0.707 -11.510 1.00 0.00 C ATOM 654 CD GLU A 49 -2.873 1.182 -12.871 1.00 0.00 C ATOM 655 OE1 GLU A 49 -3.700 1.733 -13.626 1.00 0.00 O ATOM 656 OE2 GLU A 49 -1.676 1.003 -13.179 1.00 0.00 O ATOM 0 H GLU A 49 -3.050 2.154 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.110 2.908 -10.763 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.564 1.382 -9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.639 2.398 -11.314 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.501 0.281 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.075 -0.091 -11.641 1.00 0.00 H new ATOM 663 N GLY A 50 -2.927 5.186 -10.264 1.00 0.00 N ATOM 664 CA GLY A 50 -3.448 6.525 -10.061 1.00 0.00 C ATOM 665 C GLY A 50 -3.001 7.491 -11.140 1.00 0.00 C ATOM 666 O GLY A 50 -2.699 7.099 -12.268 1.00 0.00 O ATOM 0 H GLY A 50 -2.052 5.141 -10.786 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.537 6.488 -10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.122 6.895 -9.089 1.00 0.00 H new ATOM 670 N PRO A 51 -2.957 8.788 -10.799 1.00 0.00 N ATOM 671 CA PRO A 51 -2.547 9.839 -11.734 1.00 0.00 C ATOM 672 C PRO A 51 -1.059 9.774 -12.063 1.00 0.00 C ATOM 673 O PRO A 51 -0.560 10.547 -12.881 1.00 0.00 O ATOM 674 CB PRO A 51 -2.871 11.131 -10.980 1.00 0.00 C ATOM 675 CG PRO A 51 -2.826 10.751 -9.540 1.00 0.00 C ATOM 676 CD PRO A 51 -3.303 9.326 -9.473 1.00 0.00 C ATOM 0 HA PRO A 51 -3.055 9.751 -12.694 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.146 11.913 -11.206 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.852 11.516 -11.257 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.815 10.843 -9.143 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.463 11.404 -8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.809 8.774 -8.674 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.375 9.269 -9.284 1.00 0.00 H new ATOM 684 N SER A 52 -0.356 8.847 -11.421 1.00 0.00 N ATOM 685 CA SER A 52 1.076 8.683 -11.644 1.00 0.00 C ATOM 686 C SER A 52 1.566 7.356 -11.073 1.00 0.00 C ATOM 687 O SER A 52 1.011 6.840 -10.102 1.00 0.00 O ATOM 688 CB SER A 52 1.848 9.841 -11.008 1.00 0.00 C ATOM 689 OG SER A 52 2.040 10.896 -11.934 1.00 0.00 O ATOM 0 H SER A 52 -0.754 8.198 -10.742 1.00 0.00 H new ATOM 0 HA SER A 52 1.254 8.684 -12.719 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.304 10.211 -10.139 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.815 9.485 -10.652 1.00 0.00 H new ATOM 0 HG SER A 52 1.223 11.021 -12.461 1.00 0.00 H new ATOM 695 N LYS A 53 2.611 6.806 -11.684 1.00 0.00 N ATOM 696 CA LYS A 53 3.179 5.539 -11.238 1.00 0.00 C ATOM 697 C LYS A 53 4.108 5.749 -10.047 1.00 0.00 C ATOM 698 O LYS A 53 5.151 6.390 -10.166 1.00 0.00 O ATOM 699 CB LYS A 53 3.943 4.869 -12.382 1.00 0.00 C ATOM 700 CG LYS A 53 4.508 3.507 -12.020 1.00 0.00 C ATOM 701 CD LYS A 53 5.523 3.033 -13.047 1.00 0.00 C ATOM 702 CE LYS A 53 6.915 3.563 -12.740 1.00 0.00 C ATOM 703 NZ LYS A 53 7.975 2.752 -13.402 1.00 0.00 N ATOM 0 H LYS A 53 3.082 7.218 -12.490 1.00 0.00 H new ATOM 0 HA LYS A 53 2.359 4.891 -10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.277 4.761 -13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.759 5.521 -12.693 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.979 3.557 -11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.696 2.783 -11.948 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.543 1.943 -13.064 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.218 3.362 -14.040 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.990 4.599 -13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.075 3.560 -11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.909 3.145 -13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.919 1.769 -13.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.837 2.775 -14.433 1.00 0.00 H new ATOM 717 N ALA A 54 3.721 5.203 -8.898 1.00 0.00 N ATOM 718 CA ALA A 54 4.521 5.327 -7.686 1.00 0.00 C ATOM 719 C ALA A 54 5.134 3.987 -7.293 1.00 0.00 C ATOM 720 O ALA A 54 4.419 3.023 -7.024 1.00 0.00 O ATOM 721 CB ALA A 54 3.673 5.876 -6.548 1.00 0.00 C ATOM 0 H ALA A 54 2.859 4.671 -8.782 1.00 0.00 H new ATOM 0 HA ALA A 54 5.335 6.024 -7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.283 5.963 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.288 6.858 -6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.840 5.200 -6.356 1.00 0.00 H new ATOM 727 N GLU A 55 6.462 3.935 -7.263 1.00 0.00 N ATOM 728 CA GLU A 55 7.171 2.712 -6.904 1.00 0.00 C ATOM 729 C GLU A 55 6.777 2.246 -5.506 1.00 0.00 C ATOM 730 O GLU A 55 6.549 3.060 -4.610 1.00 0.00 O ATOM 731 CB GLU A 55 8.683 2.933 -6.973 1.00 0.00 C ATOM 732 CG GLU A 55 9.234 3.738 -5.808 1.00 0.00 C ATOM 733 CD GLU A 55 10.484 4.515 -6.175 1.00 0.00 C ATOM 734 OE1 GLU A 55 10.637 4.866 -7.364 1.00 0.00 O ATOM 735 OE2 GLU A 55 11.308 4.773 -5.273 1.00 0.00 O ATOM 0 H GLU A 55 7.068 4.725 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 55 6.892 1.938 -7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.182 1.965 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.925 3.445 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.470 4.431 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.459 3.065 -4.980 1.00 0.00 H new ATOM 742 N ILE A 56 6.699 0.932 -5.327 1.00 0.00 N ATOM 743 CA ILE A 56 6.333 0.357 -4.038 1.00 0.00 C ATOM 744 C ILE A 56 7.443 -0.540 -3.502 1.00 0.00 C ATOM 745 O ILE A 56 7.924 -1.436 -4.197 1.00 0.00 O ATOM 746 CB ILE A 56 5.031 -0.459 -4.135 1.00 0.00 C ATOM 747 CG1 ILE A 56 3.967 0.327 -4.904 1.00 0.00 C ATOM 748 CG2 ILE A 56 4.528 -0.821 -2.745 1.00 0.00 C ATOM 749 CD1 ILE A 56 2.912 -0.549 -5.543 1.00 0.00 C ATOM 0 H ILE A 56 6.884 0.245 -6.058 1.00 0.00 H new ATOM 0 HA ILE A 56 6.179 1.190 -3.353 1.00 0.00 H new ATOM 0 HB ILE A 56 5.237 -1.382 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.483 1.028 -4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.454 0.919 -5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.607 -1.398 -2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.282 -1.415 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.334 0.090 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.191 0.076 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.385 -1.232 -6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.399 -1.122 -4.771 1.00 0.00 H new ATOM 761 N THR A 57 7.846 -0.296 -2.259 1.00 0.00 N ATOM 762 CA THR A 57 8.899 -1.082 -1.628 1.00 0.00 C ATOM 763 C THR A 57 8.323 -2.299 -0.912 1.00 0.00 C ATOM 764 O THR A 57 7.119 -2.553 -0.971 1.00 0.00 O ATOM 765 CB THR A 57 9.701 -0.239 -0.618 1.00 0.00 C ATOM 766 OG1 THR A 57 8.871 0.793 -0.073 1.00 0.00 O ATOM 767 CG2 THR A 57 10.921 0.382 -1.281 1.00 0.00 C ATOM 0 H THR A 57 7.459 0.440 -1.669 1.00 0.00 H new ATOM 0 HA THR A 57 9.566 -1.414 -2.424 1.00 0.00 H new ATOM 0 HB THR A 57 10.037 -0.896 0.184 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.163 1.000 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.472 0.973 -0.549 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.565 -0.407 -1.670 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.602 1.026 -2.100 1.00 0.00 H new ATOM 775 N CYS A 58 9.189 -3.047 -0.237 1.00 0.00 N ATOM 776 CA CYS A 58 8.765 -4.238 0.490 1.00 0.00 C ATOM 777 C CYS A 58 9.866 -4.722 1.428 1.00 0.00 C ATOM 778 O CYS A 58 11.012 -4.907 1.016 1.00 0.00 O ATOM 779 CB CYS A 58 8.386 -5.350 -0.488 1.00 0.00 C ATOM 780 SG CYS A 58 7.402 -6.677 0.248 1.00 0.00 S ATOM 0 H CYS A 58 10.188 -2.850 -0.178 1.00 0.00 H new ATOM 0 HA CYS A 58 7.892 -3.977 1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.828 -4.915 -1.317 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.297 -5.777 -0.907 1.00 0.00 H new ATOM 0 HG CYS A 58 7.129 -7.569 -0.658 1.00 0.00 H new ATOM 786 N LYS A 59 9.513 -4.924 2.693 1.00 0.00 N ATOM 787 CA LYS A 59 10.470 -5.387 3.691 1.00 0.00 C ATOM 788 C LYS A 59 10.015 -6.704 4.312 1.00 0.00 C ATOM 789 O LYS A 59 8.831 -7.039 4.280 1.00 0.00 O ATOM 790 CB LYS A 59 10.649 -4.330 4.784 1.00 0.00 C ATOM 791 CG LYS A 59 11.773 -3.349 4.502 1.00 0.00 C ATOM 792 CD LYS A 59 11.300 -2.192 3.637 1.00 0.00 C ATOM 793 CE LYS A 59 12.371 -1.120 3.507 1.00 0.00 C ATOM 794 NZ LYS A 59 12.456 -0.270 4.727 1.00 0.00 N ATOM 0 H LYS A 59 8.570 -4.774 3.052 1.00 0.00 H new ATOM 0 HA LYS A 59 11.425 -5.552 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.716 -3.778 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.844 -4.830 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.166 -2.964 5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.592 -3.867 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.032 -2.562 2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.399 -1.757 4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.337 -1.592 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.154 -0.493 2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.197 0.448 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.542 0.200 4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.688 -0.864 5.549 1.00 0.00 H new ATOM 808 N ASP A 60 10.962 -7.445 4.876 1.00 0.00 N ATOM 809 CA ASP A 60 10.658 -8.724 5.507 1.00 0.00 C ATOM 810 C ASP A 60 10.868 -8.649 7.016 1.00 0.00 C ATOM 811 O ASP A 60 12.001 -8.656 7.495 1.00 0.00 O ATOM 812 CB ASP A 60 11.530 -9.830 4.912 1.00 0.00 C ATOM 813 CG ASP A 60 11.175 -10.135 3.470 1.00 0.00 C ATOM 814 OD1 ASP A 60 10.621 -9.243 2.795 1.00 0.00 O ATOM 815 OD2 ASP A 60 11.452 -11.266 3.016 1.00 0.00 O ATOM 0 H ASP A 60 11.947 -7.182 4.909 1.00 0.00 H new ATOM 0 HA ASP A 60 9.610 -8.956 5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.577 -9.534 4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.421 -10.735 5.509 1.00 0.00 H new ATOM 820 N ASN A 61 9.768 -8.577 7.759 1.00 0.00 N ATOM 821 CA ASN A 61 9.832 -8.499 9.214 1.00 0.00 C ATOM 822 C ASN A 61 10.044 -9.882 9.824 1.00 0.00 C ATOM 823 O ASN A 61 10.495 -10.008 10.962 1.00 0.00 O ATOM 824 CB ASN A 61 8.551 -7.875 9.769 1.00 0.00 C ATOM 825 CG ASN A 61 8.385 -6.426 9.352 1.00 0.00 C ATOM 826 OD1 ASN A 61 9.140 -5.555 9.784 1.00 0.00 O ATOM 827 ND2 ASN A 61 7.395 -6.163 8.508 1.00 0.00 N ATOM 0 H ASN A 61 8.822 -8.571 7.378 1.00 0.00 H new ATOM 0 HA ASN A 61 10.680 -7.869 9.482 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.691 -8.450 9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.561 -7.938 10.857 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.235 -5.207 8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.794 -6.917 8.176 1.00 0.00 H new ATOM 834 N LYS A 62 9.715 -10.917 9.058 1.00 0.00 N ATOM 835 CA LYS A 62 9.869 -12.291 9.520 1.00 0.00 C ATOM 836 C LYS A 62 9.257 -12.471 10.905 1.00 0.00 C ATOM 837 O LYS A 62 9.724 -13.288 11.699 1.00 0.00 O ATOM 838 CB LYS A 62 11.350 -12.676 9.551 1.00 0.00 C ATOM 839 CG LYS A 62 11.846 -13.292 8.254 1.00 0.00 C ATOM 840 CD LYS A 62 12.933 -14.324 8.506 1.00 0.00 C ATOM 841 CE LYS A 62 12.349 -15.643 8.986 1.00 0.00 C ATOM 842 NZ LYS A 62 11.873 -16.484 7.852 1.00 0.00 N ATOM 0 H LYS A 62 9.340 -10.830 8.114 1.00 0.00 H new ATOM 0 HA LYS A 62 9.344 -12.944 8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.943 -11.788 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.516 -13.381 10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.013 -13.761 7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.231 -12.508 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.500 -14.488 7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.633 -13.943 9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.103 -16.190 9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.520 -15.447 9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.482 -17.374 8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.135 -15.973 7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.669 -16.692 7.216 1.00 0.00 H new ATOM 856 N ASP A 63 8.209 -11.705 11.188 1.00 0.00 N ATOM 857 CA ASP A 63 7.531 -11.783 12.477 1.00 0.00 C ATOM 858 C ASP A 63 6.034 -12.009 12.290 1.00 0.00 C ATOM 859 O ASP A 63 5.376 -12.610 13.139 1.00 0.00 O ATOM 860 CB ASP A 63 7.769 -10.503 13.280 1.00 0.00 C ATOM 861 CG ASP A 63 6.899 -10.427 14.519 1.00 0.00 C ATOM 862 OD1 ASP A 63 6.806 -11.441 15.242 1.00 0.00 O ATOM 863 OD2 ASP A 63 6.312 -9.353 14.766 1.00 0.00 O ATOM 0 H ASP A 63 7.811 -11.023 10.542 1.00 0.00 H new ATOM 0 HA ASP A 63 7.943 -12.630 13.026 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.818 -10.451 13.572 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.571 -9.638 12.647 1.00 0.00 H new ATOM 868 N GLY A 64 5.501 -11.523 11.173 1.00 0.00 N ATOM 869 CA GLY A 64 4.085 -11.681 10.896 1.00 0.00 C ATOM 870 C GLY A 64 3.471 -10.436 10.288 1.00 0.00 C ATOM 871 O GLY A 64 2.296 -10.141 10.511 1.00 0.00 O ATOM 0 H GLY A 64 6.025 -11.023 10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.942 -12.522 10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.562 -11.926 11.821 1.00 0.00 H new ATOM 875 N THR A 65 4.267 -9.701 9.517 1.00 0.00 N ATOM 876 CA THR A 65 3.795 -8.480 8.877 1.00 0.00 C ATOM 877 C THR A 65 4.650 -8.129 7.665 1.00 0.00 C ATOM 878 O THR A 65 5.587 -8.852 7.324 1.00 0.00 O ATOM 879 CB THR A 65 3.803 -7.292 9.858 1.00 0.00 C ATOM 880 OG1 THR A 65 5.118 -7.109 10.395 1.00 0.00 O ATOM 881 CG2 THR A 65 2.814 -7.520 10.991 1.00 0.00 C ATOM 0 H THR A 65 5.241 -9.931 9.321 1.00 0.00 H new ATOM 0 HA THR A 65 2.771 -8.668 8.554 1.00 0.00 H new ATOM 0 HB THR A 65 3.506 -6.396 9.312 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.115 -6.351 11.016 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.837 -6.668 11.671 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.810 -7.630 10.581 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.085 -8.425 11.534 1.00 0.00 H new ATOM 889 N CYS A 66 4.324 -7.016 7.019 1.00 0.00 N ATOM 890 CA CYS A 66 5.063 -6.569 5.843 1.00 0.00 C ATOM 891 C CYS A 66 5.032 -5.048 5.728 1.00 0.00 C ATOM 892 O CYS A 66 3.966 -4.445 5.596 1.00 0.00 O ATOM 893 CB CYS A 66 4.481 -7.200 4.578 1.00 0.00 C ATOM 894 SG CYS A 66 5.175 -8.821 4.176 1.00 0.00 S ATOM 0 H CYS A 66 3.553 -6.406 7.289 1.00 0.00 H new ATOM 0 HA CYS A 66 6.100 -6.886 5.954 1.00 0.00 H new ATOM 0 HB2 CYS A 66 3.402 -7.298 4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.649 -6.526 3.738 1.00 0.00 H new ATOM 0 HG CYS A 66 5.582 -9.401 5.266 1.00 0.00 H new ATOM 900 N THR A 67 6.209 -4.432 5.779 1.00 0.00 N ATOM 901 CA THR A 67 6.317 -2.982 5.683 1.00 0.00 C ATOM 902 C THR A 67 6.475 -2.537 4.233 1.00 0.00 C ATOM 903 O THR A 67 7.444 -2.897 3.565 1.00 0.00 O ATOM 904 CB THR A 67 7.509 -2.452 6.503 1.00 0.00 C ATOM 905 OG1 THR A 67 7.370 -2.838 7.875 1.00 0.00 O ATOM 906 CG2 THR A 67 7.602 -0.936 6.404 1.00 0.00 C ATOM 0 H THR A 67 7.101 -4.915 5.886 1.00 0.00 H new ATOM 0 HA THR A 67 5.394 -2.569 6.089 1.00 0.00 H new ATOM 0 HB THR A 67 8.423 -2.884 6.096 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.132 -2.499 8.389 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.451 -0.584 6.991 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.737 -0.647 5.362 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.685 -0.489 6.789 1.00 0.00 H new ATOM 914 N VAL A 68 5.516 -1.752 3.753 1.00 0.00 N ATOM 915 CA VAL A 68 5.549 -1.256 2.382 1.00 0.00 C ATOM 916 C VAL A 68 5.465 0.266 2.346 1.00 0.00 C ATOM 917 O VAL A 68 4.878 0.887 3.232 1.00 0.00 O ATOM 918 CB VAL A 68 4.397 -1.842 1.545 1.00 0.00 C ATOM 919 CG1 VAL A 68 4.465 -1.335 0.113 1.00 0.00 C ATOM 920 CG2 VAL A 68 4.431 -3.363 1.583 1.00 0.00 C ATOM 0 H VAL A 68 4.707 -1.446 4.293 1.00 0.00 H new ATOM 0 HA VAL A 68 6.499 -1.575 1.953 1.00 0.00 H new ATOM 0 HB VAL A 68 3.453 -1.511 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.643 -1.760 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.388 -0.248 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.413 -1.633 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.610 -3.760 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.379 -3.716 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.329 -3.704 2.613 1.00 0.00 H new ATOM 930 N SER A 69 6.057 0.861 1.315 1.00 0.00 N ATOM 931 CA SER A 69 6.052 2.312 1.164 1.00 0.00 C ATOM 932 C SER A 69 6.036 2.705 -0.310 1.00 0.00 C ATOM 933 O SER A 69 6.778 2.149 -1.120 1.00 0.00 O ATOM 934 CB SER A 69 7.275 2.921 1.853 1.00 0.00 C ATOM 935 OG SER A 69 7.585 2.227 3.049 1.00 0.00 O ATOM 0 H SER A 69 6.546 0.361 0.572 1.00 0.00 H new ATOM 0 HA SER A 69 5.148 2.699 1.635 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.130 2.889 1.178 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.085 3.971 2.077 1.00 0.00 H new ATOM 0 HG SER A 69 8.371 2.634 3.469 1.00 0.00 H new ATOM 941 N TYR A 70 5.185 3.666 -0.650 1.00 0.00 N ATOM 942 CA TYR A 70 5.069 4.133 -2.026 1.00 0.00 C ATOM 943 C TYR A 70 5.249 5.646 -2.105 1.00 0.00 C ATOM 944 O TYR A 70 4.663 6.395 -1.323 1.00 0.00 O ATOM 945 CB TYR A 70 3.711 3.738 -2.608 1.00 0.00 C ATOM 946 CG TYR A 70 2.581 4.645 -2.177 1.00 0.00 C ATOM 947 CD1 TYR A 70 2.484 5.945 -2.659 1.00 0.00 C ATOM 948 CD2 TYR A 70 1.610 4.204 -1.286 1.00 0.00 C ATOM 949 CE1 TYR A 70 1.454 6.778 -2.267 1.00 0.00 C ATOM 950 CE2 TYR A 70 0.575 5.029 -0.890 1.00 0.00 C ATOM 951 CZ TYR A 70 0.502 6.315 -1.383 1.00 0.00 C ATOM 952 OH TYR A 70 -0.526 7.141 -0.990 1.00 0.00 O ATOM 0 H TYR A 70 4.565 4.137 0.009 1.00 0.00 H new ATOM 0 HA TYR A 70 5.858 3.661 -2.611 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.776 3.744 -3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.480 2.716 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.227 6.310 -3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.665 3.198 -0.896 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.395 7.786 -2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.172 4.669 -0.199 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.507 7.246 -0.016 1.00 0.00 H new ATOM 962 N LEU A 71 6.064 6.089 -3.057 1.00 0.00 N ATOM 963 CA LEU A 71 6.322 7.513 -3.241 1.00 0.00 C ATOM 964 C LEU A 71 5.598 8.043 -4.474 1.00 0.00 C ATOM 965 O LEU A 71 6.034 7.850 -5.610 1.00 0.00 O ATOM 966 CB LEU A 71 7.825 7.766 -3.369 1.00 0.00 C ATOM 967 CG LEU A 71 8.235 9.187 -3.758 1.00 0.00 C ATOM 968 CD1 LEU A 71 8.387 10.057 -2.520 1.00 0.00 C ATOM 969 CD2 LEU A 71 9.527 9.168 -4.561 1.00 0.00 C ATOM 0 H LEU A 71 6.557 5.483 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 71 5.944 8.042 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.297 7.521 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.227 7.077 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 71 7.449 9.613 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.679 11.064 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.438 10.097 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.153 9.634 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.804 10.188 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.321 8.722 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.383 8.581 -5.468 1.00 0.00 H new ATOM 981 N PRO A 72 4.467 8.728 -4.249 1.00 0.00 N ATOM 982 CA PRO A 72 3.661 9.302 -5.330 1.00 0.00 C ATOM 983 C PRO A 72 4.354 10.478 -6.008 1.00 0.00 C ATOM 984 O PRO A 72 5.250 11.099 -5.436 1.00 0.00 O ATOM 985 CB PRO A 72 2.390 9.769 -4.615 1.00 0.00 C ATOM 986 CG PRO A 72 2.814 10.007 -3.207 1.00 0.00 C ATOM 987 CD PRO A 72 3.889 8.995 -2.921 1.00 0.00 C ATOM 0 HA PRO A 72 3.478 8.583 -6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.992 10.677 -5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.605 9.015 -4.670 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.190 11.022 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.975 9.889 -2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.635 9.386 -2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.480 8.090 -2.471 1.00 0.00 H new ATOM 995 N THR A 73 3.933 10.782 -7.232 1.00 0.00 N ATOM 996 CA THR A 73 4.514 11.884 -7.989 1.00 0.00 C ATOM 997 C THR A 73 3.514 13.023 -8.156 1.00 0.00 C ATOM 998 O THR A 73 3.900 14.182 -8.304 1.00 0.00 O ATOM 999 CB THR A 73 4.986 11.422 -9.381 1.00 0.00 C ATOM 1000 OG1 THR A 73 5.720 10.198 -9.268 1.00 0.00 O ATOM 1001 CG2 THR A 73 5.857 12.483 -10.036 1.00 0.00 C ATOM 0 H THR A 73 3.191 10.280 -7.720 1.00 0.00 H new ATOM 0 HA THR A 73 5.374 12.239 -7.421 1.00 0.00 H new ATOM 0 HB THR A 73 4.106 11.261 -10.004 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.015 9.910 -10.157 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.178 12.135 -11.018 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.286 13.405 -10.147 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.732 12.671 -9.413 1.00 0.00 H new ATOM 1009 N ALA A 74 2.229 12.685 -8.131 1.00 0.00 N ATOM 1010 CA ALA A 74 1.175 13.681 -8.277 1.00 0.00 C ATOM 1011 C ALA A 74 0.039 13.425 -7.292 1.00 0.00 C ATOM 1012 O ALA A 74 -0.262 12.286 -6.936 1.00 0.00 O ATOM 1013 CB ALA A 74 0.648 13.686 -9.704 1.00 0.00 C ATOM 0 H ALA A 74 1.893 11.729 -8.011 1.00 0.00 H new ATOM 0 HA ALA A 74 1.600 14.660 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.139 14.435 -9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.460 13.924 -10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.244 12.703 -9.946 1.00 0.00 H new ATOM 1019 N PRO A 75 -0.608 14.510 -6.840 1.00 0.00 N ATOM 1020 CA PRO A 75 -1.722 14.428 -5.890 1.00 0.00 C ATOM 1021 C PRO A 75 -2.973 13.821 -6.514 1.00 0.00 C ATOM 1022 O PRO A 75 -3.274 14.059 -7.683 1.00 0.00 O ATOM 1023 CB PRO A 75 -1.970 15.889 -5.508 1.00 0.00 C ATOM 1024 CG PRO A 75 -1.467 16.675 -6.669 1.00 0.00 C ATOM 1025 CD PRO A 75 -0.304 15.899 -7.222 1.00 0.00 C ATOM 0 HA PRO A 75 -1.488 13.785 -5.042 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.029 16.078 -5.331 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.442 16.154 -4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.245 16.801 -7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.158 17.674 -6.360 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.225 16.010 -8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.642 16.235 -6.797 1.00 0.00 H new ATOM 1033 N GLY A 76 -3.700 13.034 -5.726 1.00 0.00 N ATOM 1034 CA GLY A 76 -4.911 12.405 -6.219 1.00 0.00 C ATOM 1035 C GLY A 76 -5.271 11.152 -5.445 1.00 0.00 C ATOM 1036 O GLY A 76 -4.670 10.859 -4.411 1.00 0.00 O ATOM 0 H GLY A 76 -3.471 12.821 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.736 13.115 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.783 12.154 -7.272 1.00 0.00 H new ATOM 1040 N ASP A 77 -6.255 10.412 -5.945 1.00 0.00 N ATOM 1041 CA ASP A 77 -6.694 9.184 -5.293 1.00 0.00 C ATOM 1042 C ASP A 77 -5.936 7.978 -5.838 1.00 0.00 C ATOM 1043 O ASP A 77 -6.201 7.515 -6.947 1.00 0.00 O ATOM 1044 CB ASP A 77 -8.198 8.988 -5.488 1.00 0.00 C ATOM 1045 CG ASP A 77 -8.662 9.407 -6.869 1.00 0.00 C ATOM 1046 OD1 ASP A 77 -8.929 10.612 -7.066 1.00 0.00 O ATOM 1047 OD2 ASP A 77 -8.757 8.531 -7.754 1.00 0.00 O ATOM 0 H ASP A 77 -6.763 10.641 -6.799 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.482 9.272 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.449 7.940 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.737 9.565 -4.736 1.00 0.00 H new ATOM 1052 N TYR A 78 -4.991 7.475 -5.051 1.00 0.00 N ATOM 1053 CA TYR A 78 -4.192 6.325 -5.456 1.00 0.00 C ATOM 1054 C TYR A 78 -4.896 5.019 -5.100 1.00 0.00 C ATOM 1055 O TYR A 78 -5.512 4.902 -4.041 1.00 0.00 O ATOM 1056 CB TYR A 78 -2.816 6.373 -4.790 1.00 0.00 C ATOM 1057 CG TYR A 78 -1.866 7.358 -5.434 1.00 0.00 C ATOM 1058 CD1 TYR A 78 -1.915 8.710 -5.116 1.00 0.00 C ATOM 1059 CD2 TYR A 78 -0.919 6.937 -6.359 1.00 0.00 C ATOM 1060 CE1 TYR A 78 -1.050 9.613 -5.702 1.00 0.00 C ATOM 1061 CE2 TYR A 78 -0.049 7.833 -6.949 1.00 0.00 C ATOM 1062 CZ TYR A 78 -0.118 9.170 -6.617 1.00 0.00 C ATOM 1063 OH TYR A 78 0.747 10.066 -7.202 1.00 0.00 O ATOM 0 H TYR A 78 -4.760 7.846 -4.129 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.066 6.366 -6.538 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.939 6.634 -3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.371 5.378 -4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.642 9.060 -4.398 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.862 5.891 -6.621 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.103 10.661 -5.445 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.681 7.489 -7.666 1.00 0.00 H new ATOM 0 HH TYR A 78 0.254 10.870 -7.468 1.00 0.00 H new ATOM 1073 N SER A 79 -4.799 4.039 -5.993 1.00 0.00 N ATOM 1074 CA SER A 79 -5.429 2.742 -5.775 1.00 0.00 C ATOM 1075 C SER A 79 -4.379 1.663 -5.527 1.00 0.00 C ATOM 1076 O SER A 79 -3.788 1.128 -6.465 1.00 0.00 O ATOM 1077 CB SER A 79 -6.291 2.362 -6.981 1.00 0.00 C ATOM 1078 OG SER A 79 -7.444 3.182 -7.061 1.00 0.00 O ATOM 0 H SER A 79 -4.291 4.118 -6.874 1.00 0.00 H new ATOM 0 HA SER A 79 -6.064 2.817 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.706 2.461 -7.896 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.589 1.316 -6.904 1.00 0.00 H new ATOM 0 HG SER A 79 -7.978 2.921 -7.840 1.00 0.00 H new ATOM 1084 N ILE A 80 -4.152 1.349 -4.256 1.00 0.00 N ATOM 1085 CA ILE A 80 -3.175 0.334 -3.883 1.00 0.00 C ATOM 1086 C ILE A 80 -3.768 -1.066 -3.993 1.00 0.00 C ATOM 1087 O ILE A 80 -4.471 -1.526 -3.093 1.00 0.00 O ATOM 1088 CB ILE A 80 -2.659 0.550 -2.447 1.00 0.00 C ATOM 1089 CG1 ILE A 80 -2.060 1.950 -2.303 1.00 0.00 C ATOM 1090 CG2 ILE A 80 -1.631 -0.512 -2.089 1.00 0.00 C ATOM 1091 CD1 ILE A 80 -2.189 2.521 -0.908 1.00 0.00 C ATOM 0 H ILE A 80 -4.632 1.783 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.341 0.428 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.498 0.462 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.005 1.915 -2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.551 2.621 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.276 -0.346 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.089 -1.499 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.791 -0.453 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.743 3.515 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.243 2.588 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.674 1.872 -0.200 1.00 0.00 H new ATOM 1103 N ILE A 81 -3.477 -1.740 -5.101 1.00 0.00 N ATOM 1104 CA ILE A 81 -3.979 -3.090 -5.327 1.00 0.00 C ATOM 1105 C ILE A 81 -3.127 -4.122 -4.597 1.00 0.00 C ATOM 1106 O ILE A 81 -1.927 -4.241 -4.846 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.010 -3.434 -6.828 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.937 -2.473 -7.575 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -4.456 -4.875 -7.031 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -4.596 -2.323 -9.041 1.00 0.00 C ATOM 0 H ILE A 81 -2.897 -1.374 -5.856 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.996 -3.120 -4.935 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.004 -3.325 -7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.964 -2.827 -7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.893 -1.494 -7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.473 -5.104 -8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.760 -5.546 -6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.455 -5.009 -6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.294 -1.627 -9.508 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.580 -1.940 -9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.668 -3.293 -9.532 1.00 0.00 H new ATOM 1122 N VAL A 82 -3.756 -4.870 -3.696 1.00 0.00 N ATOM 1123 CA VAL A 82 -3.057 -5.896 -2.931 1.00 0.00 C ATOM 1124 C VAL A 82 -3.765 -7.242 -3.042 1.00 0.00 C ATOM 1125 O VAL A 82 -4.758 -7.490 -2.358 1.00 0.00 O ATOM 1126 CB VAL A 82 -2.944 -5.509 -1.445 1.00 0.00 C ATOM 1127 CG1 VAL A 82 -2.241 -6.605 -0.659 1.00 0.00 C ATOM 1128 CG2 VAL A 82 -2.213 -4.183 -1.295 1.00 0.00 C ATOM 0 H VAL A 82 -4.749 -4.785 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.056 -5.979 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.949 -5.393 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.171 -6.313 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.808 -7.532 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.239 -6.756 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.142 -3.924 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.211 -4.270 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.762 -3.403 -1.823 1.00 0.00 H new ATOM 1138 N ARG A 83 -3.247 -8.108 -3.907 1.00 0.00 N ATOM 1139 CA ARG A 83 -3.829 -9.429 -4.108 1.00 0.00 C ATOM 1140 C ARG A 83 -2.970 -10.507 -3.454 1.00 0.00 C ATOM 1141 O ARG A 83 -1.781 -10.304 -3.209 1.00 0.00 O ATOM 1142 CB ARG A 83 -3.983 -9.720 -5.602 1.00 0.00 C ATOM 1143 CG ARG A 83 -4.803 -8.678 -6.344 1.00 0.00 C ATOM 1144 CD ARG A 83 -4.984 -9.050 -7.807 1.00 0.00 C ATOM 1145 NE ARG A 83 -5.191 -7.876 -8.650 1.00 0.00 N ATOM 1146 CZ ARG A 83 -5.081 -7.892 -9.973 1.00 0.00 C ATOM 1147 NH1 ARG A 83 -4.768 -9.016 -10.602 1.00 0.00 N ATOM 1148 NH2 ARG A 83 -5.285 -6.782 -10.671 1.00 0.00 N ATOM 0 H ARG A 83 -2.425 -7.918 -4.480 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.813 -9.440 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.994 -9.782 -6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.452 -10.696 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.779 -8.576 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.311 -7.708 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.106 -9.594 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.836 -9.723 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.434 -6.995 -8.197 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.611 -9.872 -10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.684 -9.025 -11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.527 -5.915 -10.191 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.200 -6.796 -11.687 1.00 0.00 H new ATOM 1162 N PHE A 84 -3.581 -11.653 -3.173 1.00 0.00 N ATOM 1163 CA PHE A 84 -2.872 -12.763 -2.546 1.00 0.00 C ATOM 1164 C PHE A 84 -3.313 -14.096 -3.144 1.00 0.00 C ATOM 1165 O PHE A 84 -4.424 -14.564 -2.894 1.00 0.00 O ATOM 1166 CB PHE A 84 -3.116 -12.764 -1.036 1.00 0.00 C ATOM 1167 CG PHE A 84 -2.427 -13.889 -0.318 1.00 0.00 C ATOM 1168 CD1 PHE A 84 -3.040 -15.126 -0.192 1.00 0.00 C ATOM 1169 CD2 PHE A 84 -1.168 -13.711 0.231 1.00 0.00 C ATOM 1170 CE1 PHE A 84 -2.409 -16.163 0.469 1.00 0.00 C ATOM 1171 CE2 PHE A 84 -0.532 -14.744 0.893 1.00 0.00 C ATOM 1172 CZ PHE A 84 -1.153 -15.972 1.011 1.00 0.00 C ATOM 0 H PHE A 84 -4.565 -11.838 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.806 -12.634 -2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.775 -11.816 -0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.188 -12.827 -0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.022 -15.281 -0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.677 -12.753 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.898 -17.122 0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.449 -14.591 1.317 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.657 -16.782 1.526 1.00 0.00 H new ATOM 1182 N ASP A 85 -2.434 -14.703 -3.935 1.00 0.00 N ATOM 1183 CA ASP A 85 -2.731 -15.982 -4.568 1.00 0.00 C ATOM 1184 C ASP A 85 -3.875 -15.841 -5.567 1.00 0.00 C ATOM 1185 O ASP A 85 -4.729 -16.722 -5.676 1.00 0.00 O ATOM 1186 CB ASP A 85 -3.086 -17.029 -3.511 1.00 0.00 C ATOM 1187 CG ASP A 85 -3.152 -18.431 -4.084 1.00 0.00 C ATOM 1188 OD1 ASP A 85 -2.112 -18.923 -4.570 1.00 0.00 O ATOM 1189 OD2 ASP A 85 -4.243 -19.037 -4.045 1.00 0.00 O ATOM 0 H ASP A 85 -1.510 -14.329 -4.153 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.841 -16.308 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.345 -17.001 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.047 -16.777 -3.063 1.00 0.00 H new ATOM 1194 N ASP A 86 -3.887 -14.729 -6.293 1.00 0.00 N ATOM 1195 CA ASP A 86 -4.926 -14.473 -7.283 1.00 0.00 C ATOM 1196 C ASP A 86 -6.260 -14.176 -6.606 1.00 0.00 C ATOM 1197 O ASP A 86 -7.323 -14.507 -7.132 1.00 0.00 O ATOM 1198 CB ASP A 86 -5.072 -15.671 -8.223 1.00 0.00 C ATOM 1199 CG ASP A 86 -3.740 -16.317 -8.549 1.00 0.00 C ATOM 1200 OD1 ASP A 86 -3.039 -15.810 -9.450 1.00 0.00 O ATOM 1201 OD2 ASP A 86 -3.397 -17.328 -7.902 1.00 0.00 O ATOM 0 H ASP A 86 -3.188 -13.990 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.632 -13.599 -7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.729 -16.411 -7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.552 -15.348 -9.147 1.00 0.00 H new ATOM 1206 N LYS A 87 -6.198 -13.550 -5.435 1.00 0.00 N ATOM 1207 CA LYS A 87 -7.400 -13.208 -4.685 1.00 0.00 C ATOM 1208 C LYS A 87 -7.272 -11.825 -4.054 1.00 0.00 C ATOM 1209 O LYS A 87 -6.324 -11.553 -3.317 1.00 0.00 O ATOM 1210 CB LYS A 87 -7.663 -14.253 -3.599 1.00 0.00 C ATOM 1211 CG LYS A 87 -8.033 -15.620 -4.147 1.00 0.00 C ATOM 1212 CD LYS A 87 -9.536 -15.760 -4.328 1.00 0.00 C ATOM 1213 CE LYS A 87 -10.027 -14.976 -5.535 1.00 0.00 C ATOM 1214 NZ LYS A 87 -11.348 -15.467 -6.016 1.00 0.00 N ATOM 0 H LYS A 87 -5.327 -13.269 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.240 -13.195 -5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.774 -14.349 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.467 -13.900 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.534 -15.777 -5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.673 -16.394 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.793 -16.813 -4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.046 -15.407 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.105 -13.920 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.296 -15.053 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.648 -14.907 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.268 -16.468 -6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.052 -15.370 -5.257 1.00 0.00 H new ATOM 1228 N HIS A 88 -8.234 -10.955 -4.347 1.00 0.00 N ATOM 1229 CA HIS A 88 -8.230 -9.600 -3.806 1.00 0.00 C ATOM 1230 C HIS A 88 -8.607 -9.604 -2.328 1.00 0.00 C ATOM 1231 O HIS A 88 -9.573 -10.253 -1.926 1.00 0.00 O ATOM 1232 CB HIS A 88 -9.198 -8.713 -4.589 1.00 0.00 C ATOM 1233 CG HIS A 88 -8.540 -7.925 -5.679 1.00 0.00 C ATOM 1234 ND1 HIS A 88 -8.249 -6.582 -5.566 1.00 0.00 N ATOM 1235 CD2 HIS A 88 -8.115 -8.298 -6.909 1.00 0.00 C ATOM 1236 CE1 HIS A 88 -7.674 -6.162 -6.679 1.00 0.00 C ATOM 1237 NE2 HIS A 88 -7.581 -7.185 -7.510 1.00 0.00 N ATOM 0 H HIS A 88 -9.025 -11.164 -4.955 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.221 -9.199 -3.904 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.979 -9.337 -5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.687 -8.025 -3.899 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -8.447 -6.003 -4.750 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.183 -9.287 -7.338 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.338 -5.155 -6.876 1.00 0.00 H new ATOM 1246 N ILE A 89 -7.838 -8.877 -1.524 1.00 0.00 N ATOM 1247 CA ILE A 89 -8.092 -8.797 -0.091 1.00 0.00 C ATOM 1248 C ILE A 89 -9.275 -7.883 0.207 1.00 0.00 C ATOM 1249 O ILE A 89 -9.586 -6.961 -0.548 1.00 0.00 O ATOM 1250 CB ILE A 89 -6.856 -8.284 0.672 1.00 0.00 C ATOM 1251 CG1 ILE A 89 -6.528 -6.850 0.250 1.00 0.00 C ATOM 1252 CG2 ILE A 89 -5.666 -9.199 0.428 1.00 0.00 C ATOM 1253 CD1 ILE A 89 -5.539 -6.163 1.165 1.00 0.00 C ATOM 0 H ILE A 89 -7.034 -8.335 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.323 -9.808 0.246 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.079 -8.287 1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.127 -6.861 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.449 -6.268 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.800 -8.823 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.904 -10.205 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.440 -9.225 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.353 -5.151 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.947 -6.120 2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.603 -6.722 1.175 1.00 0.00 H new ATOM 1265 N PRO A 90 -9.952 -8.141 1.336 1.00 0.00 N ATOM 1266 CA PRO A 90 -11.111 -7.351 1.762 1.00 0.00 C ATOM 1267 C PRO A 90 -10.724 -5.943 2.200 1.00 0.00 C ATOM 1268 O PRO A 90 -10.549 -5.678 3.389 1.00 0.00 O ATOM 1269 CB PRO A 90 -11.667 -8.146 2.946 1.00 0.00 C ATOM 1270 CG PRO A 90 -10.498 -8.904 3.475 1.00 0.00 C ATOM 1271 CD PRO A 90 -9.638 -9.223 2.283 1.00 0.00 C ATOM 0 HA PRO A 90 -11.827 -7.209 0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.087 -7.485 3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.465 -8.818 2.632 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.948 -8.312 4.206 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.819 -9.815 3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.580 -9.235 2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.875 -10.202 1.867 1.00 0.00 H new ATOM 1279 N GLY A 91 -10.591 -5.041 1.232 1.00 0.00 N ATOM 1280 CA GLY A 91 -10.225 -3.671 1.539 1.00 0.00 C ATOM 1281 C GLY A 91 -9.406 -3.029 0.437 1.00 0.00 C ATOM 1282 O GLY A 91 -9.171 -1.821 0.452 1.00 0.00 O ATOM 0 H GLY A 91 -10.730 -5.235 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.129 -3.085 1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.657 -3.650 2.469 1.00 0.00 H new ATOM 1286 N SER A 92 -8.970 -3.839 -0.523 1.00 0.00 N ATOM 1287 CA SER A 92 -8.167 -3.343 -1.635 1.00 0.00 C ATOM 1288 C SER A 92 -8.951 -3.409 -2.942 1.00 0.00 C ATOM 1289 O SER A 92 -9.870 -4.212 -3.105 1.00 0.00 O ATOM 1290 CB SER A 92 -6.876 -4.154 -1.760 1.00 0.00 C ATOM 1291 OG SER A 92 -6.475 -4.269 -3.115 1.00 0.00 O ATOM 0 H SER A 92 -9.159 -4.841 -0.553 1.00 0.00 H new ATOM 0 HA SER A 92 -7.916 -2.302 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.085 -3.675 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.024 -5.147 -1.336 1.00 0.00 H new ATOM 0 HG SER A 92 -6.595 -5.194 -3.414 1.00 0.00 H new ATOM 1297 N PRO A 93 -8.580 -2.544 -3.898 1.00 0.00 N ATOM 1298 CA PRO A 93 -7.488 -1.584 -3.716 1.00 0.00 C ATOM 1299 C PRO A 93 -7.843 -0.484 -2.721 1.00 0.00 C ATOM 1300 O PRO A 93 -8.956 0.042 -2.733 1.00 0.00 O ATOM 1301 CB PRO A 93 -7.295 -0.997 -5.116 1.00 0.00 C ATOM 1302 CG PRO A 93 -8.615 -1.167 -5.784 1.00 0.00 C ATOM 1303 CD PRO A 93 -9.199 -2.437 -5.230 1.00 0.00 C ATOM 0 HA PRO A 93 -6.593 -2.056 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.008 0.053 -5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.507 -1.519 -5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.267 -0.317 -5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.500 -1.230 -6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.286 -2.385 -5.165 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.958 -3.297 -5.855 1.00 0.00 H new ATOM 1311 N PHE A 94 -6.890 -0.140 -1.861 1.00 0.00 N ATOM 1312 CA PHE A 94 -7.103 0.898 -0.859 1.00 0.00 C ATOM 1313 C PHE A 94 -6.940 2.286 -1.471 1.00 0.00 C ATOM 1314 O PHE A 94 -5.843 2.677 -1.872 1.00 0.00 O ATOM 1315 CB PHE A 94 -6.124 0.723 0.304 1.00 0.00 C ATOM 1316 CG PHE A 94 -6.503 -0.385 1.245 1.00 0.00 C ATOM 1317 CD1 PHE A 94 -7.342 -0.141 2.321 1.00 0.00 C ATOM 1318 CD2 PHE A 94 -6.022 -1.670 1.053 1.00 0.00 C ATOM 1319 CE1 PHE A 94 -7.691 -1.158 3.188 1.00 0.00 C ATOM 1320 CE2 PHE A 94 -6.368 -2.691 1.918 1.00 0.00 C ATOM 1321 CZ PHE A 94 -7.205 -2.435 2.986 1.00 0.00 C ATOM 0 H PHE A 94 -5.963 -0.565 -1.838 1.00 0.00 H new ATOM 0 HA PHE A 94 -8.122 0.803 -0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.129 0.525 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.064 1.658 0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.727 0.855 2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.369 -1.876 0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.344 -0.955 4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.984 -3.688 1.759 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.479 -3.232 3.662 1.00 0.00 H new ATOM 1331 N THR A 95 -8.041 3.029 -1.540 1.00 0.00 N ATOM 1332 CA THR A 95 -8.022 4.373 -2.104 1.00 0.00 C ATOM 1333 C THR A 95 -7.338 5.355 -1.161 1.00 0.00 C ATOM 1334 O THR A 95 -7.945 5.837 -0.204 1.00 0.00 O ATOM 1335 CB THR A 95 -9.446 4.875 -2.406 1.00 0.00 C ATOM 1336 OG1 THR A 95 -10.114 3.959 -3.282 1.00 0.00 O ATOM 1337 CG2 THR A 95 -9.409 6.256 -3.042 1.00 0.00 C ATOM 0 H THR A 95 -8.957 2.722 -1.212 1.00 0.00 H new ATOM 0 HA THR A 95 -7.459 4.317 -3.036 1.00 0.00 H new ATOM 0 HB THR A 95 -9.991 4.940 -1.465 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.019 4.285 -3.467 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.426 6.590 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.927 6.957 -2.361 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.847 6.212 -3.975 1.00 0.00 H new ATOM 1345 N ALA A 96 -6.072 5.650 -1.436 1.00 0.00 N ATOM 1346 CA ALA A 96 -5.307 6.578 -0.613 1.00 0.00 C ATOM 1347 C ALA A 96 -5.302 7.976 -1.222 1.00 0.00 C ATOM 1348 O ALA A 96 -5.031 8.146 -2.411 1.00 0.00 O ATOM 1349 CB ALA A 96 -3.883 6.074 -0.434 1.00 0.00 C ATOM 0 H ALA A 96 -5.554 5.259 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.786 6.637 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.323 6.777 0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.901 5.099 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.403 5.985 -1.409 1.00 0.00 H new ATOM 1355 N LYS A 97 -5.604 8.975 -0.400 1.00 0.00 N ATOM 1356 CA LYS A 97 -5.635 10.360 -0.856 1.00 0.00 C ATOM 1357 C LYS A 97 -4.257 11.003 -0.734 1.00 0.00 C ATOM 1358 O LYS A 97 -3.642 10.978 0.332 1.00 0.00 O ATOM 1359 CB LYS A 97 -6.657 11.162 -0.048 1.00 0.00 C ATOM 1360 CG LYS A 97 -8.061 11.113 -0.625 1.00 0.00 C ATOM 1361 CD LYS A 97 -9.036 11.928 0.209 1.00 0.00 C ATOM 1362 CE LYS A 97 -10.438 11.891 -0.377 1.00 0.00 C ATOM 1363 NZ LYS A 97 -11.137 10.614 -0.064 1.00 0.00 N ATOM 0 H LYS A 97 -5.831 8.851 0.587 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.928 10.364 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.679 10.782 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.331 12.201 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.049 11.493 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.399 10.078 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.056 11.541 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.692 12.961 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.017 12.727 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.383 12.019 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.090 10.628 -0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.598 9.817 -0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.212 10.503 0.967 1.00 0.00 H new ATOM 1377 N ILE A 98 -3.779 11.580 -1.832 1.00 0.00 N ATOM 1378 CA ILE A 98 -2.476 12.232 -1.846 1.00 0.00 C ATOM 1379 C ILE A 98 -2.602 13.706 -2.214 1.00 0.00 C ATOM 1380 O ILE A 98 -3.146 14.051 -3.264 1.00 0.00 O ATOM 1381 CB ILE A 98 -1.515 11.547 -2.836 1.00 0.00 C ATOM 1382 CG1 ILE A 98 -1.352 10.068 -2.483 1.00 0.00 C ATOM 1383 CG2 ILE A 98 -0.165 12.249 -2.835 1.00 0.00 C ATOM 1384 CD1 ILE A 98 -0.722 9.836 -1.127 1.00 0.00 C ATOM 0 H ILE A 98 -4.275 11.609 -2.723 1.00 0.00 H new ATOM 0 HA ILE A 98 -2.069 12.146 -0.838 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.939 11.617 -3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.330 9.587 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.741 9.586 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.503 11.754 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.296 13.290 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.266 12.207 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.638 8.765 -0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.270 10.287 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.344 10.288 -0.355 1.00 0.00 H new ATOM 1396 N THR A 99 -2.095 14.574 -1.344 1.00 0.00 N ATOM 1397 CA THR A 99 -2.150 16.011 -1.577 1.00 0.00 C ATOM 1398 C THR A 99 -0.799 16.546 -2.036 1.00 0.00 C ATOM 1399 O THR A 99 0.248 16.011 -1.672 1.00 0.00 O ATOM 1400 CB THR A 99 -2.586 16.770 -0.310 1.00 0.00 C ATOM 1401 OG1 THR A 99 -1.743 16.411 0.790 1.00 0.00 O ATOM 1402 CG2 THR A 99 -4.036 16.461 0.034 1.00 0.00 C ATOM 0 H THR A 99 -1.641 14.306 -0.471 1.00 0.00 H new ATOM 0 HA THR A 99 -2.888 16.175 -2.362 1.00 0.00 H new ATOM 0 HB THR A 99 -2.495 17.839 -0.504 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.026 16.899 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.321 17.008 0.932 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.678 16.762 -0.794 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.148 15.391 0.210 1.00 0.00 H new