USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=25 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= -1.7! K(o=-1.7!,f=0.68) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 67 THR OG1 : rot 101:sc= 0.0133 USER MOD Set 2.1: A 52 SER OG : rot 120:sc= -0.806 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 66 CYS SG : rot 27:sc= 0.0978 USER MOD Set 4.1: A 23 HIS : no HD1:sc= 0 X(o=-0.65,f=-0.68) USER MOD Set 4.2: A 25 MET CE :methyl 154:sc= -0.185 (180deg=-0.743) USER MOD Set 4.3: A 99 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -176:sc= -0.273 USER MOD Single : A 22 SER OG : rot 82:sc= 0.00433 USER MOD Single : A 27 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.5) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -1.59 (180deg=-2.05) 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 169:sc= -0.359 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 24:sc= 0.0251 USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0.173 (180deg=0.156) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 167:sc= -1.1 USER MOD Single : A 70 TYR OH : rot -137:sc= -0.753! USER MOD Single : A 78 TYR OH : rot -6:sc= 0.69 USER MOD Single : A 79 SER OG : rot 89:sc= 0.415 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -3.38! C(o=-3.4!,f=-3.9!) USER MOD Single : A 92 SER OG : rot -110:sc= -0.633 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 ----------------------------------------------------------------- ATOM 178 N SER A 15 -5.180 -7.909 5.683 1.00 0.00 N ATOM 179 CA SER A 15 -5.709 -6.551 5.736 1.00 0.00 C ATOM 180 C SER A 15 -4.579 -5.527 5.733 1.00 0.00 C ATOM 181 O SER A 15 -3.430 -5.852 6.032 1.00 0.00 O ATOM 182 CB SER A 15 -6.576 -6.368 6.984 1.00 0.00 C ATOM 183 OG SER A 15 -7.537 -5.345 6.792 1.00 0.00 O ATOM 0 HA SER A 15 -6.322 -6.391 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.080 -7.305 7.221 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.944 -6.122 7.837 1.00 0.00 H new ATOM 0 HG SER A 15 -8.079 -5.249 7.603 1.00 0.00 H new ATOM 189 N ALA A 16 -4.914 -4.286 5.393 1.00 0.00 N ATOM 190 CA ALA A 16 -3.929 -3.213 5.352 1.00 0.00 C ATOM 191 C ALA A 16 -4.395 -2.009 6.163 1.00 0.00 C ATOM 192 O ALA A 16 -5.572 -1.646 6.133 1.00 0.00 O ATOM 193 CB ALA A 16 -3.650 -2.806 3.913 1.00 0.00 C ATOM 0 H ALA A 16 -5.860 -4.000 5.142 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.006 -3.584 5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.912 -2.004 3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.265 -3.663 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.573 -2.459 3.448 1.00 0.00 H new ATOM 199 N TYR A 17 -3.467 -1.394 6.887 1.00 0.00 N ATOM 200 CA TYR A 17 -3.785 -0.232 7.709 1.00 0.00 C ATOM 201 C TYR A 17 -2.547 0.631 7.934 1.00 0.00 C ATOM 202 O TYR A 17 -1.458 0.120 8.194 1.00 0.00 O ATOM 203 CB TYR A 17 -4.363 -0.675 9.054 1.00 0.00 C ATOM 204 CG TYR A 17 -3.319 -1.183 10.024 1.00 0.00 C ATOM 205 CD1 TYR A 17 -2.473 -0.303 10.688 1.00 0.00 C ATOM 206 CD2 TYR A 17 -3.179 -2.542 10.275 1.00 0.00 C ATOM 207 CE1 TYR A 17 -1.518 -0.762 11.574 1.00 0.00 C ATOM 208 CE2 TYR A 17 -2.228 -3.010 11.161 1.00 0.00 C ATOM 209 CZ TYR A 17 -1.399 -2.116 11.807 1.00 0.00 C ATOM 210 OH TYR A 17 -0.450 -2.579 12.689 1.00 0.00 O ATOM 0 H TYR A 17 -2.489 -1.680 6.922 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.529 0.363 7.180 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.890 0.164 9.507 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.100 -1.460 8.883 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.564 0.758 10.508 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.825 -3.245 9.769 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.868 -0.064 12.081 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.134 -4.070 11.347 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.456 -3.559 12.691 1.00 0.00 H new ATOM 220 N GLY A 18 -2.723 1.945 7.832 1.00 0.00 N ATOM 221 CA GLY A 18 -1.613 2.860 8.027 1.00 0.00 C ATOM 222 C GLY A 18 -1.911 4.252 7.509 1.00 0.00 C ATOM 223 O GLY A 18 -2.951 4.502 6.900 1.00 0.00 O ATOM 0 H GLY A 18 -3.614 2.392 7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.374 2.915 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.730 2.469 7.521 1.00 0.00 H new ATOM 227 N PRO A 19 -0.983 5.190 7.752 1.00 0.00 N ATOM 228 CA PRO A 19 -1.129 6.581 7.314 1.00 0.00 C ATOM 229 C PRO A 19 -1.021 6.727 5.800 1.00 0.00 C ATOM 230 O PRO A 19 -1.839 7.397 5.172 1.00 0.00 O ATOM 231 CB PRO A 19 0.036 7.295 8.005 1.00 0.00 C ATOM 232 CG PRO A 19 1.054 6.230 8.227 1.00 0.00 C ATOM 233 CD PRO A 19 0.282 4.963 8.472 1.00 0.00 C ATOM 0 HA PRO A 19 -2.108 6.988 7.569 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.432 8.098 7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.278 7.745 8.947 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.707 6.128 7.360 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.690 6.470 9.079 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.811 4.090 8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.114 4.794 9.536 1.00 0.00 H new ATOM 241 N GLY A 20 -0.005 6.095 5.220 1.00 0.00 N ATOM 242 CA GLY A 20 0.191 6.168 3.784 1.00 0.00 C ATOM 243 C GLY A 20 -0.998 5.636 3.009 1.00 0.00 C ATOM 244 O GLY A 20 -1.205 5.997 1.850 1.00 0.00 O ATOM 0 H GLY A 20 0.685 5.534 5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.374 7.204 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.081 5.601 3.513 1.00 0.00 H new ATOM 248 N LEU A 21 -1.782 4.775 3.649 1.00 0.00 N ATOM 249 CA LEU A 21 -2.957 4.190 3.012 1.00 0.00 C ATOM 250 C LEU A 21 -4.156 5.127 3.117 1.00 0.00 C ATOM 251 O LEU A 21 -4.889 5.326 2.148 1.00 0.00 O ATOM 252 CB LEU A 21 -3.291 2.842 3.652 1.00 0.00 C ATOM 253 CG LEU A 21 -2.258 1.732 3.455 1.00 0.00 C ATOM 254 CD1 LEU A 21 -2.699 0.461 4.166 1.00 0.00 C ATOM 255 CD2 LEU A 21 -2.035 1.466 1.974 1.00 0.00 C ATOM 0 H LEU A 21 -1.625 4.467 4.609 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.730 4.037 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.431 2.995 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.245 2.499 3.252 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.314 2.060 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.952 -0.318 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.806 0.659 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.655 0.130 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.297 0.673 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.974 1.160 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.674 2.374 1.492 1.00 0.00 H new ATOM 267 N SER A 22 -4.349 5.703 4.300 1.00 0.00 N ATOM 268 CA SER A 22 -5.460 6.618 4.533 1.00 0.00 C ATOM 269 C SER A 22 -5.279 7.906 3.735 1.00 0.00 C ATOM 270 O SER A 22 -6.231 8.430 3.156 1.00 0.00 O ATOM 271 CB SER A 22 -5.578 6.941 6.023 1.00 0.00 C ATOM 272 OG SER A 22 -5.981 5.800 6.762 1.00 0.00 O ATOM 0 H SER A 22 -3.750 5.552 5.112 1.00 0.00 H new ATOM 0 HA SER A 22 -6.376 6.130 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.620 7.301 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.299 7.745 6.168 1.00 0.00 H new ATOM 0 HG SER A 22 -5.200 5.237 6.946 1.00 0.00 H new ATOM 278 N HIS A 23 -4.050 8.411 3.709 1.00 0.00 N ATOM 279 CA HIS A 23 -3.743 9.637 2.982 1.00 0.00 C ATOM 280 C HIS A 23 -2.241 9.908 2.983 1.00 0.00 C ATOM 281 O HIS A 23 -1.456 9.106 3.487 1.00 0.00 O ATOM 282 CB HIS A 23 -4.486 10.822 3.600 1.00 0.00 C ATOM 283 CG HIS A 23 -4.008 11.179 4.974 1.00 0.00 C ATOM 284 ND1 HIS A 23 -4.479 10.569 6.117 1.00 0.00 N ATOM 285 CD2 HIS A 23 -3.092 12.087 5.384 1.00 0.00 C ATOM 286 CE1 HIS A 23 -3.876 11.088 7.171 1.00 0.00 C ATOM 287 NE2 HIS A 23 -3.029 12.012 6.754 1.00 0.00 N ATOM 0 H HIS A 23 -3.251 7.990 4.183 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.071 9.510 1.951 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.375 11.689 2.949 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.550 10.590 3.643 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.517 12.748 4.752 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.046 10.805 8.199 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.426 12.578 7.352 1.00 0.00 H new ATOM 296 N GLY A 24 -1.848 11.044 2.413 1.00 0.00 N ATOM 297 CA GLY A 24 -0.443 11.399 2.359 1.00 0.00 C ATOM 298 C GLY A 24 -0.189 12.633 1.516 1.00 0.00 C ATOM 299 O GLY A 24 -1.108 13.401 1.236 1.00 0.00 O ATOM 0 H GLY A 24 -2.478 11.724 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.076 11.572 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.125 10.562 1.953 1.00 0.00 H new ATOM 303 N MET A 25 1.063 12.824 1.112 1.00 0.00 N ATOM 304 CA MET A 25 1.435 13.975 0.296 1.00 0.00 C ATOM 305 C MET A 25 2.199 13.535 -0.948 1.00 0.00 C ATOM 306 O MET A 25 2.498 12.353 -1.120 1.00 0.00 O ATOM 307 CB MET A 25 2.283 14.952 1.112 1.00 0.00 C ATOM 308 CG MET A 25 1.487 15.734 2.144 1.00 0.00 C ATOM 309 SD MET A 25 1.262 14.822 3.683 1.00 0.00 S ATOM 310 CE MET A 25 -0.486 15.080 3.978 1.00 0.00 C ATOM 0 H MET A 25 1.836 12.198 1.336 1.00 0.00 H new ATOM 0 HA MET A 25 0.520 14.476 -0.020 1.00 0.00 H new ATOM 0 HB2 MET A 25 3.074 14.398 1.619 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.769 15.653 0.433 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.997 16.674 2.354 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.511 15.986 1.730 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.879 14.258 4.577 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.630 16.019 4.512 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.014 15.119 3.025 1.00 0.00 H new ATOM 320 N VAL A 26 2.514 14.493 -1.814 1.00 0.00 N ATOM 321 CA VAL A 26 3.245 14.205 -3.042 1.00 0.00 C ATOM 322 C VAL A 26 4.744 14.110 -2.780 1.00 0.00 C ATOM 323 O VAL A 26 5.299 14.886 -2.005 1.00 0.00 O ATOM 324 CB VAL A 26 2.989 15.281 -4.114 1.00 0.00 C ATOM 325 CG1 VAL A 26 3.805 14.993 -5.365 1.00 0.00 C ATOM 326 CG2 VAL A 26 1.506 15.364 -4.442 1.00 0.00 C ATOM 0 H VAL A 26 2.274 15.476 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 26 2.882 13.245 -3.408 1.00 0.00 H new ATOM 0 HB VAL A 26 3.304 16.246 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.611 15.764 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.866 14.989 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.523 14.020 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.344 16.129 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.162 14.401 -4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.948 15.622 -3.542 1.00 0.00 H new ATOM 336 N ASN A 27 5.393 13.151 -3.433 1.00 0.00 N ATOM 337 CA ASN A 27 6.829 12.954 -3.271 1.00 0.00 C ATOM 338 C ASN A 27 7.170 12.599 -1.827 1.00 0.00 C ATOM 339 O ASN A 27 8.139 13.107 -1.263 1.00 0.00 O ATOM 340 CB ASN A 27 7.589 14.214 -3.691 1.00 0.00 C ATOM 341 CG ASN A 27 7.536 14.449 -5.188 1.00 0.00 C ATOM 342 OD1 ASN A 27 7.157 13.563 -5.954 1.00 0.00 O ATOM 343 ND2 ASN A 27 7.916 15.649 -5.612 1.00 0.00 N ATOM 0 H ASN A 27 4.948 12.499 -4.079 1.00 0.00 H new ATOM 0 HA ASN A 27 7.131 12.125 -3.912 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.169 15.077 -3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.629 14.130 -3.376 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.901 15.866 -6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.223 16.353 -4.941 1.00 0.00 H new ATOM 350 N LYS A 28 6.366 11.723 -1.234 1.00 0.00 N ATOM 351 CA LYS A 28 6.582 11.297 0.144 1.00 0.00 C ATOM 352 C LYS A 28 6.342 9.798 0.294 1.00 0.00 C ATOM 353 O LYS A 28 5.346 9.254 -0.183 1.00 0.00 O ATOM 354 CB LYS A 28 5.659 12.069 1.089 1.00 0.00 C ATOM 355 CG LYS A 28 4.206 11.634 1.010 1.00 0.00 C ATOM 356 CD LYS A 28 3.891 10.554 2.033 1.00 0.00 C ATOM 357 CE LYS A 28 3.816 11.125 3.441 1.00 0.00 C ATOM 358 NZ LYS A 28 2.644 12.027 3.612 1.00 0.00 N ATOM 0 H LYS A 28 5.559 11.294 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 28 7.619 11.509 0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.012 11.942 2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.724 13.132 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.558 12.494 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.990 11.262 0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.943 10.078 1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.657 9.779 1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.754 10.309 4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.732 11.674 3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.436 12.138 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.858 12.957 3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.817 11.617 3.132 1.00 0.00 H new ATOM 372 N PRO A 29 7.274 9.114 0.974 1.00 0.00 N ATOM 373 CA PRO A 29 7.184 7.669 1.204 1.00 0.00 C ATOM 374 C PRO A 29 6.068 7.305 2.177 1.00 0.00 C ATOM 375 O PRO A 29 6.244 7.375 3.393 1.00 0.00 O ATOM 376 CB PRO A 29 8.549 7.320 1.803 1.00 0.00 C ATOM 377 CG PRO A 29 9.024 8.586 2.428 1.00 0.00 C ATOM 378 CD PRO A 29 8.487 9.698 1.570 1.00 0.00 C ATOM 0 HA PRO A 29 6.952 7.125 0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.465 6.522 2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.241 6.974 1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.663 8.675 3.453 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.113 8.616 2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.258 10.586 2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.205 9.999 0.807 1.00 0.00 H new ATOM 386 N ALA A 30 4.919 6.916 1.633 1.00 0.00 N ATOM 387 CA ALA A 30 3.775 6.539 2.453 1.00 0.00 C ATOM 388 C ALA A 30 3.947 5.136 3.024 1.00 0.00 C ATOM 389 O ALA A 30 3.752 4.141 2.325 1.00 0.00 O ATOM 390 CB ALA A 30 2.491 6.626 1.640 1.00 0.00 C ATOM 0 H ALA A 30 4.756 6.854 0.628 1.00 0.00 H new ATOM 0 HA ALA A 30 3.712 7.237 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.645 6.342 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.353 7.648 1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.554 5.951 0.786 1.00 0.00 H new ATOM 396 N THR A 31 4.315 5.062 4.299 1.00 0.00 N ATOM 397 CA THR A 31 4.516 3.780 4.964 1.00 0.00 C ATOM 398 C THR A 31 3.221 3.277 5.590 1.00 0.00 C ATOM 399 O THR A 31 2.433 4.058 6.124 1.00 0.00 O ATOM 400 CB THR A 31 5.597 3.877 6.057 1.00 0.00 C ATOM 401 OG1 THR A 31 5.100 4.623 7.173 1.00 0.00 O ATOM 402 CG2 THR A 31 6.855 4.542 5.516 1.00 0.00 C ATOM 0 H THR A 31 4.480 5.875 4.892 1.00 0.00 H new ATOM 0 HA THR A 31 4.845 3.076 4.200 1.00 0.00 H new ATOM 0 HB THR A 31 5.848 2.866 6.379 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.793 4.678 7.864 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.604 4.600 6.305 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.248 3.956 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.615 5.547 5.170 1.00 0.00 H new ATOM 410 N PHE A 32 3.006 1.967 5.522 1.00 0.00 N ATOM 411 CA PHE A 32 1.805 1.359 6.082 1.00 0.00 C ATOM 412 C PHE A 32 2.078 -0.075 6.527 1.00 0.00 C ATOM 413 O PHE A 32 3.127 -0.643 6.222 1.00 0.00 O ATOM 414 CB PHE A 32 0.671 1.380 5.056 1.00 0.00 C ATOM 415 CG PHE A 32 1.021 0.704 3.761 1.00 0.00 C ATOM 416 CD1 PHE A 32 1.749 1.374 2.790 1.00 0.00 C ATOM 417 CD2 PHE A 32 0.624 -0.600 3.515 1.00 0.00 C ATOM 418 CE1 PHE A 32 2.072 0.755 1.597 1.00 0.00 C ATOM 419 CE2 PHE A 32 0.945 -1.224 2.324 1.00 0.00 C ATOM 420 CZ PHE A 32 1.671 -0.546 1.365 1.00 0.00 C ATOM 0 H PHE A 32 3.648 1.306 5.084 1.00 0.00 H new ATOM 0 HA PHE A 32 1.507 1.941 6.954 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.205 0.894 5.485 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.394 2.415 4.853 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.067 2.391 2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.057 -1.135 4.262 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.637 1.288 0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.628 -2.241 2.144 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.925 -1.032 0.435 1.00 0.00 H new ATOM 430 N THR A 33 1.125 -0.656 7.250 1.00 0.00 N ATOM 431 CA THR A 33 1.262 -2.022 7.738 1.00 0.00 C ATOM 432 C THR A 33 0.299 -2.961 7.021 1.00 0.00 C ATOM 433 O THR A 33 -0.848 -2.602 6.752 1.00 0.00 O ATOM 434 CB THR A 33 1.009 -2.105 9.255 1.00 0.00 C ATOM 435 OG1 THR A 33 2.178 -1.690 9.970 1.00 0.00 O ATOM 436 CG2 THR A 33 0.634 -3.521 9.665 1.00 0.00 C ATOM 0 H THR A 33 0.250 -0.201 7.510 1.00 0.00 H new ATOM 0 HA THR A 33 2.287 -2.330 7.531 1.00 0.00 H new ATOM 0 HB THR A 33 0.179 -1.442 9.499 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.008 -1.744 10.934 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.460 -3.554 10.741 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.273 -3.823 9.141 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.446 -4.201 9.407 1.00 0.00 H new ATOM 444 N ILE A 34 0.770 -4.165 6.716 1.00 0.00 N ATOM 445 CA ILE A 34 -0.051 -5.156 6.032 1.00 0.00 C ATOM 446 C ILE A 34 -0.154 -6.442 6.847 1.00 0.00 C ATOM 447 O ILE A 34 0.825 -7.172 7.000 1.00 0.00 O ATOM 448 CB ILE A 34 0.512 -5.489 4.638 1.00 0.00 C ATOM 449 CG1 ILE A 34 0.784 -4.203 3.854 1.00 0.00 C ATOM 450 CG2 ILE A 34 -0.454 -6.385 3.877 1.00 0.00 C ATOM 451 CD1 ILE A 34 1.508 -4.435 2.546 1.00 0.00 C ATOM 0 H ILE A 34 1.716 -4.478 6.932 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.043 -4.719 5.919 1.00 0.00 H new ATOM 0 HB ILE A 34 1.454 -6.024 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.163 -3.703 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.375 -3.528 4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.042 -6.612 2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.603 -7.312 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.410 -5.874 3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.667 -3.481 2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.471 -4.907 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.908 -5.085 1.908 1.00 0.00 H new ATOM 463 N VAL A 35 -1.347 -6.713 7.366 1.00 0.00 N ATOM 464 CA VAL A 35 -1.579 -7.912 8.163 1.00 0.00 C ATOM 465 C VAL A 35 -1.484 -9.168 7.305 1.00 0.00 C ATOM 466 O VAL A 35 -2.453 -9.566 6.656 1.00 0.00 O ATOM 467 CB VAL A 35 -2.959 -7.873 8.846 1.00 0.00 C ATOM 468 CG1 VAL A 35 -3.172 -9.120 9.690 1.00 0.00 C ATOM 469 CG2 VAL A 35 -3.099 -6.617 9.692 1.00 0.00 C ATOM 0 H VAL A 35 -2.168 -6.119 7.249 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.804 -7.939 8.929 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.727 -7.851 8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.152 -9.075 10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.117 -10.004 9.054 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.400 -9.177 10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.080 -6.606 10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.324 -6.606 10.459 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.993 -5.737 9.057 1.00 0.00 H new ATOM 479 N THR A 36 -0.310 -9.791 7.305 1.00 0.00 N ATOM 480 CA THR A 36 -0.087 -11.003 6.527 1.00 0.00 C ATOM 481 C THR A 36 0.467 -12.123 7.399 1.00 0.00 C ATOM 482 O THR A 36 1.081 -13.067 6.901 1.00 0.00 O ATOM 483 CB THR A 36 0.884 -10.750 5.358 1.00 0.00 C ATOM 484 OG1 THR A 36 2.197 -10.482 5.862 1.00 0.00 O ATOM 485 CG2 THR A 36 0.413 -9.580 4.507 1.00 0.00 C ATOM 0 H THR A 36 0.502 -9.476 7.836 1.00 0.00 H new ATOM 0 HA THR A 36 -1.055 -11.303 6.127 1.00 0.00 H new ATOM 0 HB THR A 36 0.910 -11.644 4.735 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.809 -10.324 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.114 -9.420 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.575 -9.799 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.362 -8.681 5.121 1.00 0.00 H new ATOM 493 N LYS A 37 0.248 -12.014 8.705 1.00 0.00 N ATOM 494 CA LYS A 37 0.723 -13.018 9.649 1.00 0.00 C ATOM 495 C LYS A 37 0.208 -14.404 9.273 1.00 0.00 C ATOM 496 O LYS A 37 0.987 -15.295 8.932 1.00 0.00 O ATOM 497 CB LYS A 37 0.278 -12.665 11.070 1.00 0.00 C ATOM 498 CG LYS A 37 1.209 -13.192 12.148 1.00 0.00 C ATOM 499 CD LYS A 37 0.853 -14.615 12.544 1.00 0.00 C ATOM 500 CE LYS A 37 1.550 -15.026 13.832 1.00 0.00 C ATOM 501 NZ LYS A 37 3.004 -15.270 13.623 1.00 0.00 N ATOM 0 H LYS A 37 -0.257 -11.238 9.134 1.00 0.00 H new ATOM 0 HA LYS A 37 1.812 -13.031 9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.208 -11.581 11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.722 -13.065 11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.238 -13.160 11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.156 -12.545 13.024 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.226 -14.699 12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.135 -15.298 11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.417 -14.246 14.582 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.083 -15.929 14.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.442 -15.548 14.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.132 -16.032 12.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.455 -14.401 13.272 1.00 0.00 H new ATOM 573 N LEU A 44 1.406 -12.984 -2.952 1.00 0.00 N ATOM 574 CA LEU A 44 0.994 -11.598 -2.762 1.00 0.00 C ATOM 575 C LEU A 44 1.448 -10.730 -3.932 1.00 0.00 C ATOM 576 O LEU A 44 2.442 -11.033 -4.593 1.00 0.00 O ATOM 577 CB LEU A 44 1.566 -11.049 -1.454 1.00 0.00 C ATOM 578 CG LEU A 44 1.024 -9.694 -1.000 1.00 0.00 C ATOM 579 CD1 LEU A 44 -0.319 -9.861 -0.307 1.00 0.00 C ATOM 580 CD2 LEU A 44 2.019 -9.002 -0.080 1.00 0.00 C ATOM 0 HA LEU A 44 -0.095 -11.572 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.377 -11.776 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.648 -10.968 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 44 0.879 -9.069 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.689 -8.886 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.031 -10.313 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.201 -10.504 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.616 -8.039 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.196 -9.624 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.958 -8.847 -0.611 1.00 0.00 H new ATOM 592 N SER A 45 0.715 -9.650 -4.180 1.00 0.00 N ATOM 593 CA SER A 45 1.041 -8.739 -5.271 1.00 0.00 C ATOM 594 C SER A 45 0.915 -7.286 -4.822 1.00 0.00 C ATOM 595 O SER A 45 0.068 -6.952 -3.993 1.00 0.00 O ATOM 596 CB SER A 45 0.125 -8.995 -6.469 1.00 0.00 C ATOM 597 OG SER A 45 -1.194 -8.548 -6.208 1.00 0.00 O ATOM 0 H SER A 45 -0.109 -9.384 -3.640 1.00 0.00 H new ATOM 0 HA SER A 45 2.074 -8.922 -5.567 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.518 -8.483 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.112 -10.060 -6.700 1.00 0.00 H new ATOM 0 HG SER A 45 -1.713 -8.558 -7.039 1.00 0.00 H new ATOM 603 N LEU A 46 1.764 -6.427 -5.375 1.00 0.00 N ATOM 604 CA LEU A 46 1.749 -5.009 -5.033 1.00 0.00 C ATOM 605 C LEU A 46 1.721 -4.146 -6.290 1.00 0.00 C ATOM 606 O LEU A 46 2.641 -4.190 -7.106 1.00 0.00 O ATOM 607 CB LEU A 46 2.972 -4.656 -4.185 1.00 0.00 C ATOM 608 CG LEU A 46 2.879 -4.997 -2.697 1.00 0.00 C ATOM 609 CD1 LEU A 46 4.268 -5.156 -2.098 1.00 0.00 C ATOM 610 CD2 LEU A 46 2.095 -3.926 -1.953 1.00 0.00 C ATOM 0 H LEU A 46 2.471 -6.688 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 46 0.845 -4.809 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.838 -5.170 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.159 -3.586 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 46 2.350 -5.945 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.182 -5.398 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.796 -5.959 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.823 -4.225 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.039 -4.185 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.596 -2.964 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.088 -3.860 -2.365 1.00 0.00 H new ATOM 622 N ALA A 47 0.659 -3.359 -6.438 1.00 0.00 N ATOM 623 CA ALA A 47 0.514 -2.482 -7.593 1.00 0.00 C ATOM 624 C ALA A 47 -0.335 -1.262 -7.252 1.00 0.00 C ATOM 625 O ALA A 47 -1.396 -1.383 -6.639 1.00 0.00 O ATOM 626 CB ALA A 47 -0.098 -3.244 -8.759 1.00 0.00 C ATOM 0 H ALA A 47 -0.113 -3.311 -5.773 1.00 0.00 H new ATOM 0 HA ALA A 47 1.506 -2.133 -7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.201 -2.577 -9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.548 -4.081 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.080 -3.621 -8.472 1.00 0.00 H new ATOM 632 N VAL A 48 0.139 -0.087 -7.652 1.00 0.00 N ATOM 633 CA VAL A 48 -0.577 1.156 -7.389 1.00 0.00 C ATOM 634 C VAL A 48 -1.071 1.791 -8.684 1.00 0.00 C ATOM 635 O VAL A 48 -0.329 1.887 -9.661 1.00 0.00 O ATOM 636 CB VAL A 48 0.310 2.168 -6.639 1.00 0.00 C ATOM 637 CG1 VAL A 48 -0.315 3.554 -6.673 1.00 0.00 C ATOM 638 CG2 VAL A 48 0.543 1.713 -5.207 1.00 0.00 C ATOM 0 H VAL A 48 1.016 0.031 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.433 0.901 -6.764 1.00 0.00 H new ATOM 0 HB VAL A 48 1.276 2.220 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.326 4.255 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.424 3.879 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.295 3.523 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.171 2.440 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.414 1.631 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.039 0.742 -5.210 1.00 0.00 H new ATOM 648 N GLU A 49 -2.328 2.223 -8.684 1.00 0.00 N ATOM 649 CA GLU A 49 -2.920 2.848 -9.860 1.00 0.00 C ATOM 650 C GLU A 49 -3.526 4.204 -9.509 1.00 0.00 C ATOM 651 O GLU A 49 -4.596 4.281 -8.906 1.00 0.00 O ATOM 652 CB GLU A 49 -3.993 1.939 -10.463 1.00 0.00 C ATOM 653 CG GLU A 49 -3.431 0.838 -11.347 1.00 0.00 C ATOM 654 CD GLU A 49 -4.486 0.207 -12.234 1.00 0.00 C ATOM 655 OE1 GLU A 49 -5.228 -0.670 -11.743 1.00 0.00 O ATOM 656 OE2 GLU A 49 -4.570 0.590 -13.420 1.00 0.00 O ATOM 0 H GLU A 49 -2.955 2.152 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.129 3.002 -10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.570 1.487 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.685 2.546 -11.048 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.636 1.248 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.981 0.068 -10.720 1.00 0.00 H new ATOM 663 N GLY A 50 -2.832 5.273 -9.890 1.00 0.00 N ATOM 664 CA GLY A 50 -3.316 6.611 -9.606 1.00 0.00 C ATOM 665 C GLY A 50 -2.907 7.613 -10.668 1.00 0.00 C ATOM 666 O GLY A 50 -2.691 7.265 -11.829 1.00 0.00 O ATOM 0 H GLY A 50 -1.944 5.236 -10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.403 6.592 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.933 6.935 -8.638 1.00 0.00 H new ATOM 670 N PRO A 51 -2.797 8.889 -10.272 1.00 0.00 N ATOM 671 CA PRO A 51 -2.412 9.971 -11.183 1.00 0.00 C ATOM 672 C PRO A 51 -0.952 9.876 -11.612 1.00 0.00 C ATOM 673 O PRO A 51 -0.459 10.717 -12.363 1.00 0.00 O ATOM 674 CB PRO A 51 -2.645 11.235 -10.352 1.00 0.00 C ATOM 675 CG PRO A 51 -2.521 10.786 -8.937 1.00 0.00 C ATOM 676 CD PRO A 51 -3.040 9.375 -8.903 1.00 0.00 C ATOM 0 HA PRO A 51 -2.983 9.944 -12.111 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.911 12.005 -10.589 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.629 11.661 -10.547 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.484 10.828 -8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.096 11.430 -8.272 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.515 8.771 -8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.099 9.342 -8.647 1.00 0.00 H new ATOM 684 N SER A 52 -0.264 8.846 -11.128 1.00 0.00 N ATOM 685 CA SER A 52 1.142 8.643 -11.459 1.00 0.00 C ATOM 686 C SER A 52 1.651 7.327 -10.879 1.00 0.00 C ATOM 687 O SER A 52 1.257 6.922 -9.786 1.00 0.00 O ATOM 688 CB SER A 52 1.984 9.806 -10.931 1.00 0.00 C ATOM 689 OG SER A 52 3.120 10.026 -11.750 1.00 0.00 O ATOM 0 H SER A 52 -0.657 8.140 -10.506 1.00 0.00 H new ATOM 0 HA SER A 52 1.233 8.601 -12.544 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.377 10.711 -10.894 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.303 9.594 -9.910 1.00 0.00 H new ATOM 0 HG SER A 52 3.089 10.935 -12.116 1.00 0.00 H new ATOM 695 N LYS A 53 2.531 6.663 -11.621 1.00 0.00 N ATOM 696 CA LYS A 53 3.097 5.392 -11.183 1.00 0.00 C ATOM 697 C LYS A 53 4.130 5.608 -10.081 1.00 0.00 C ATOM 698 O LYS A 53 5.156 6.252 -10.297 1.00 0.00 O ATOM 699 CB LYS A 53 3.742 4.663 -12.365 1.00 0.00 C ATOM 700 CG LYS A 53 4.168 3.241 -12.043 1.00 0.00 C ATOM 701 CD LYS A 53 5.051 2.663 -13.136 1.00 0.00 C ATOM 702 CE LYS A 53 6.517 2.995 -12.902 1.00 0.00 C ATOM 703 NZ LYS A 53 7.420 2.021 -13.574 1.00 0.00 N ATOM 0 H LYS A 53 2.868 6.984 -12.529 1.00 0.00 H new ATOM 0 HA LYS A 53 2.288 4.780 -10.784 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.038 4.643 -13.197 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.613 5.228 -12.698 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.705 3.227 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.285 2.615 -11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.923 1.581 -13.174 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.738 3.055 -14.104 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.726 3.999 -13.272 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.722 3.001 -11.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.410 2.282 -13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.239 1.067 -13.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.243 2.033 -14.599 1.00 0.00 H new ATOM 717 N ALA A 54 3.851 5.064 -8.901 1.00 0.00 N ATOM 718 CA ALA A 54 4.757 5.194 -7.767 1.00 0.00 C ATOM 719 C ALA A 54 5.385 3.852 -7.409 1.00 0.00 C ATOM 720 O ALA A 54 4.701 2.830 -7.363 1.00 0.00 O ATOM 721 CB ALA A 54 4.022 5.772 -6.567 1.00 0.00 C ATOM 0 H ALA A 54 3.005 4.529 -8.706 1.00 0.00 H new ATOM 0 HA ALA A 54 5.558 5.876 -8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.711 5.863 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.627 6.756 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.200 5.112 -6.291 1.00 0.00 H new ATOM 727 N GLU A 55 6.690 3.862 -7.156 1.00 0.00 N ATOM 728 CA GLU A 55 7.409 2.643 -6.804 1.00 0.00 C ATOM 729 C GLU A 55 7.027 2.172 -5.404 1.00 0.00 C ATOM 730 O GLU A 55 6.836 2.981 -4.496 1.00 0.00 O ATOM 731 CB GLU A 55 8.919 2.875 -6.881 1.00 0.00 C ATOM 732 CG GLU A 55 9.454 3.774 -5.780 1.00 0.00 C ATOM 733 CD GLU A 55 10.688 4.547 -6.205 1.00 0.00 C ATOM 734 OE1 GLU A 55 10.742 4.983 -7.374 1.00 0.00 O ATOM 735 OE2 GLU A 55 11.600 4.715 -5.368 1.00 0.00 O ATOM 0 H GLU A 55 7.271 4.700 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 55 7.131 1.868 -7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.429 1.913 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.161 3.316 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.676 4.476 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.693 3.169 -4.906 1.00 0.00 H new ATOM 742 N ILE A 56 6.916 0.858 -5.238 1.00 0.00 N ATOM 743 CA ILE A 56 6.557 0.279 -3.949 1.00 0.00 C ATOM 744 C ILE A 56 7.698 -0.565 -3.389 1.00 0.00 C ATOM 745 O ILE A 56 8.149 -1.519 -4.023 1.00 0.00 O ATOM 746 CB ILE A 56 5.293 -0.594 -4.056 1.00 0.00 C ATOM 747 CG1 ILE A 56 4.211 0.135 -4.856 1.00 0.00 C ATOM 748 CG2 ILE A 56 4.781 -0.957 -2.671 1.00 0.00 C ATOM 749 CD1 ILE A 56 3.282 -0.797 -5.603 1.00 0.00 C ATOM 0 H ILE A 56 7.069 0.175 -5.980 1.00 0.00 H new ATOM 0 HA ILE A 56 6.358 1.111 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 56 5.548 -1.515 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.624 0.754 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.688 0.808 -5.569 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.887 -1.574 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.550 -1.511 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.538 -0.047 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.541 -0.212 -6.148 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.858 -1.398 -6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.777 -1.453 -4.894 1.00 0.00 H new ATOM 761 N THR A 57 8.159 -0.208 -2.194 1.00 0.00 N ATOM 762 CA THR A 57 9.246 -0.932 -1.547 1.00 0.00 C ATOM 763 C THR A 57 8.725 -1.807 -0.412 1.00 0.00 C ATOM 764 O THR A 57 8.176 -1.305 0.569 1.00 0.00 O ATOM 765 CB THR A 57 10.310 0.033 -0.990 1.00 0.00 C ATOM 766 OG1 THR A 57 10.812 0.868 -2.039 1.00 0.00 O ATOM 767 CG2 THR A 57 11.458 -0.737 -0.354 1.00 0.00 C ATOM 0 H THR A 57 7.796 0.578 -1.655 1.00 0.00 H new ATOM 0 HA THR A 57 9.703 -1.564 -2.309 1.00 0.00 H new ATOM 0 HB THR A 57 9.842 0.653 -0.226 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.486 1.479 -1.676 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.197 -0.035 0.032 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.077 -1.349 0.463 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.924 -1.379 -1.102 1.00 0.00 H new ATOM 775 N CYS A 58 8.901 -3.116 -0.553 1.00 0.00 N ATOM 776 CA CYS A 58 8.448 -4.061 0.462 1.00 0.00 C ATOM 777 C CYS A 58 9.596 -4.460 1.384 1.00 0.00 C ATOM 778 O CYS A 58 10.752 -4.517 0.965 1.00 0.00 O ATOM 779 CB CYS A 58 7.853 -5.305 -0.200 1.00 0.00 C ATOM 780 SG CYS A 58 9.019 -6.219 -1.236 1.00 0.00 S ATOM 0 H CYS A 58 9.354 -3.547 -1.359 1.00 0.00 H new ATOM 0 HA CYS A 58 7.678 -3.573 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.474 -5.970 0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.999 -5.006 -0.809 1.00 0.00 H new ATOM 0 HG CYS A 58 10.234 -5.968 -0.848 1.00 0.00 H new ATOM 786 N LYS A 59 9.269 -4.735 2.642 1.00 0.00 N ATOM 787 CA LYS A 59 10.271 -5.129 3.625 1.00 0.00 C ATOM 788 C LYS A 59 9.835 -6.384 4.374 1.00 0.00 C ATOM 789 O LYS A 59 8.647 -6.584 4.631 1.00 0.00 O ATOM 790 CB LYS A 59 10.518 -3.990 4.617 1.00 0.00 C ATOM 791 CG LYS A 59 11.932 -3.959 5.168 1.00 0.00 C ATOM 792 CD LYS A 59 12.055 -4.788 6.436 1.00 0.00 C ATOM 793 CE LYS A 59 13.504 -4.912 6.882 1.00 0.00 C ATOM 794 NZ LYS A 59 13.616 -5.514 8.239 1.00 0.00 N ATOM 0 H LYS A 59 8.317 -4.692 3.005 1.00 0.00 H new ATOM 0 HA LYS A 59 11.198 -5.348 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.308 -3.040 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.816 -4.083 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.625 -4.337 4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.220 -2.929 5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.467 -4.329 7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.640 -5.781 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.053 -5.524 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.970 -3.927 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.617 -5.691 8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.217 -4.860 8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.092 -6.412 8.265 1.00 0.00 H new ATOM 808 N ASP A 60 10.802 -7.225 4.724 1.00 0.00 N ATOM 809 CA ASP A 60 10.517 -8.459 5.446 1.00 0.00 C ATOM 810 C ASP A 60 10.748 -8.278 6.943 1.00 0.00 C ATOM 811 O ASP A 60 11.857 -7.970 7.378 1.00 0.00 O ATOM 812 CB ASP A 60 11.391 -9.598 4.917 1.00 0.00 C ATOM 813 CG ASP A 60 11.708 -10.627 5.984 1.00 0.00 C ATOM 814 OD1 ASP A 60 10.772 -11.315 6.442 1.00 0.00 O ATOM 815 OD2 ASP A 60 12.893 -10.745 6.362 1.00 0.00 O ATOM 0 H ASP A 60 11.790 -7.075 4.519 1.00 0.00 H new ATOM 0 HA ASP A 60 9.469 -8.711 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.883 -10.086 4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.321 -9.187 4.525 1.00 0.00 H new ATOM 820 N ASN A 61 9.691 -8.470 7.727 1.00 0.00 N ATOM 821 CA ASN A 61 9.778 -8.326 9.176 1.00 0.00 C ATOM 822 C ASN A 61 10.128 -9.657 9.835 1.00 0.00 C ATOM 823 O ASN A 61 10.940 -9.711 10.758 1.00 0.00 O ATOM 824 CB ASN A 61 8.456 -7.798 9.737 1.00 0.00 C ATOM 825 CG ASN A 61 8.139 -6.398 9.248 1.00 0.00 C ATOM 826 OD1 ASN A 61 8.883 -5.453 9.512 1.00 0.00 O ATOM 827 ND2 ASN A 61 7.029 -6.259 8.533 1.00 0.00 N ATOM 0 H ASN A 61 8.765 -8.725 7.383 1.00 0.00 H new ATOM 0 HA ASN A 61 10.571 -7.611 9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.648 -8.472 9.451 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.501 -7.798 10.826 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.763 -5.341 8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.443 -7.071 8.339 1.00 0.00 H new ATOM 834 N LYS A 62 9.509 -10.730 9.353 1.00 0.00 N ATOM 835 CA LYS A 62 9.755 -12.062 9.893 1.00 0.00 C ATOM 836 C LYS A 62 9.097 -12.226 11.259 1.00 0.00 C ATOM 837 O LYS A 62 9.571 -12.991 12.099 1.00 0.00 O ATOM 838 CB LYS A 62 11.259 -12.320 10.005 1.00 0.00 C ATOM 839 CG LYS A 62 11.627 -13.793 9.990 1.00 0.00 C ATOM 840 CD LYS A 62 13.091 -13.999 9.640 1.00 0.00 C ATOM 841 CE LYS A 62 13.568 -15.388 10.036 1.00 0.00 C ATOM 842 NZ LYS A 62 13.185 -16.415 9.027 1.00 0.00 N ATOM 0 H LYS A 62 8.833 -10.703 8.589 1.00 0.00 H new ATOM 0 HA LYS A 62 9.318 -12.790 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.767 -11.819 9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.628 -11.871 10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.421 -14.230 10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.002 -14.318 9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.234 -13.856 8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.697 -13.247 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.652 -15.380 10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.145 -15.655 11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.528 -17.348 9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.150 -16.441 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.610 -16.175 8.109 1.00 0.00 H new ATOM 856 N ASP A 63 8.004 -11.503 11.474 1.00 0.00 N ATOM 857 CA ASP A 63 7.279 -11.570 12.738 1.00 0.00 C ATOM 858 C ASP A 63 5.799 -11.855 12.502 1.00 0.00 C ATOM 859 O ASP A 63 5.201 -12.689 13.180 1.00 0.00 O ATOM 860 CB ASP A 63 7.443 -10.262 13.514 1.00 0.00 C ATOM 861 CG ASP A 63 8.725 -10.224 14.321 1.00 0.00 C ATOM 862 OD1 ASP A 63 8.903 -11.098 15.195 1.00 0.00 O ATOM 863 OD2 ASP A 63 9.552 -9.319 14.080 1.00 0.00 O ATOM 0 H ASP A 63 7.600 -10.864 10.790 1.00 0.00 H new ATOM 0 HA ASP A 63 7.698 -12.387 13.326 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.432 -9.425 12.816 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.592 -10.131 14.183 1.00 0.00 H new ATOM 868 N GLY A 64 5.214 -11.153 11.536 1.00 0.00 N ATOM 869 CA GLY A 64 3.808 -11.344 11.229 1.00 0.00 C ATOM 870 C GLY A 64 3.202 -10.147 10.523 1.00 0.00 C ATOM 871 O GLY A 64 2.022 -9.844 10.700 1.00 0.00 O ATOM 0 H GLY A 64 5.688 -10.456 10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.693 -12.228 10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.260 -11.534 12.152 1.00 0.00 H new ATOM 875 N THR A 65 4.011 -9.463 9.720 1.00 0.00 N ATOM 876 CA THR A 65 3.548 -8.292 8.987 1.00 0.00 C ATOM 877 C THR A 65 4.461 -7.987 7.805 1.00 0.00 C ATOM 878 O THR A 65 5.397 -8.735 7.522 1.00 0.00 O ATOM 879 CB THR A 65 3.475 -7.052 9.898 1.00 0.00 C ATOM 880 OG1 THR A 65 4.767 -6.770 10.446 1.00 0.00 O ATOM 881 CG2 THR A 65 2.476 -7.267 11.025 1.00 0.00 C ATOM 0 H THR A 65 4.990 -9.700 9.561 1.00 0.00 H new ATOM 0 HA THR A 65 2.548 -8.524 8.620 1.00 0.00 H new ATOM 0 HB THR A 65 3.144 -6.205 9.297 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.712 -5.979 11.022 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.442 -6.378 11.655 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.488 -7.452 10.605 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.782 -8.125 11.624 1.00 0.00 H new ATOM 889 N CYS A 66 4.184 -6.883 7.119 1.00 0.00 N ATOM 890 CA CYS A 66 4.982 -6.479 5.966 1.00 0.00 C ATOM 891 C CYS A 66 5.031 -4.960 5.845 1.00 0.00 C ATOM 892 O CYS A 66 4.011 -4.311 5.607 1.00 0.00 O ATOM 893 CB CYS A 66 4.409 -7.087 4.685 1.00 0.00 C ATOM 894 SG CYS A 66 5.076 -8.718 4.279 1.00 0.00 S ATOM 0 H CYS A 66 3.414 -6.252 7.341 1.00 0.00 H new ATOM 0 HA CYS A 66 5.998 -6.847 6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 66 3.326 -7.164 4.785 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.605 -6.409 3.854 1.00 0.00 H new ATOM 0 HG CYS A 66 5.464 -9.312 5.368 1.00 0.00 H new ATOM 900 N THR A 67 6.223 -4.396 6.012 1.00 0.00 N ATOM 901 CA THR A 67 6.405 -2.953 5.924 1.00 0.00 C ATOM 902 C THR A 67 6.623 -2.513 4.481 1.00 0.00 C ATOM 903 O THR A 67 7.663 -2.794 3.885 1.00 0.00 O ATOM 904 CB THR A 67 7.599 -2.484 6.777 1.00 0.00 C ATOM 905 OG1 THR A 67 7.404 -2.865 8.143 1.00 0.00 O ATOM 906 CG2 THR A 67 7.771 -0.976 6.684 1.00 0.00 C ATOM 0 H THR A 67 7.077 -4.917 6.209 1.00 0.00 H new ATOM 0 HA THR A 67 5.492 -2.496 6.307 1.00 0.00 H new ATOM 0 HB THR A 67 8.501 -2.960 6.393 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.938 -3.663 8.339 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.620 -0.668 7.294 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.949 -0.693 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.868 -0.484 7.044 1.00 0.00 H new ATOM 914 N VAL A 68 5.635 -1.820 3.922 1.00 0.00 N ATOM 915 CA VAL A 68 5.719 -1.340 2.549 1.00 0.00 C ATOM 916 C VAL A 68 5.577 0.177 2.487 1.00 0.00 C ATOM 917 O VAL A 68 4.964 0.789 3.362 1.00 0.00 O ATOM 918 CB VAL A 68 4.636 -1.982 1.662 1.00 0.00 C ATOM 919 CG1 VAL A 68 4.835 -1.589 0.206 1.00 0.00 C ATOM 920 CG2 VAL A 68 4.646 -3.495 1.820 1.00 0.00 C ATOM 0 H VAL A 68 4.767 -1.579 4.400 1.00 0.00 H new ATOM 0 HA VAL A 68 6.702 -1.626 2.174 1.00 0.00 H new ATOM 0 HB VAL A 68 3.662 -1.612 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.060 -2.052 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.773 -0.505 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.814 -1.928 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.874 -3.932 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.621 -3.885 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.450 -3.753 2.861 1.00 0.00 H new ATOM 930 N SER A 69 6.147 0.778 1.448 1.00 0.00 N ATOM 931 CA SER A 69 6.087 2.225 1.274 1.00 0.00 C ATOM 932 C SER A 69 6.060 2.593 -0.207 1.00 0.00 C ATOM 933 O SER A 69 6.675 1.922 -1.036 1.00 0.00 O ATOM 934 CB SER A 69 7.283 2.892 1.955 1.00 0.00 C ATOM 935 OG SER A 69 7.543 2.305 3.218 1.00 0.00 O ATOM 0 H SER A 69 6.656 0.286 0.714 1.00 0.00 H new ATOM 0 HA SER A 69 5.168 2.584 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.164 2.801 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.088 3.957 2.079 1.00 0.00 H new ATOM 0 HG SER A 69 8.422 2.596 3.539 1.00 0.00 H new ATOM 941 N TYR A 70 5.341 3.662 -0.530 1.00 0.00 N ATOM 942 CA TYR A 70 5.231 4.119 -1.911 1.00 0.00 C ATOM 943 C TYR A 70 5.512 5.615 -2.013 1.00 0.00 C ATOM 944 O TYR A 70 5.242 6.375 -1.082 1.00 0.00 O ATOM 945 CB TYR A 70 3.837 3.812 -2.461 1.00 0.00 C ATOM 946 CG TYR A 70 2.745 4.663 -1.854 1.00 0.00 C ATOM 947 CD1 TYR A 70 2.528 5.964 -2.291 1.00 0.00 C ATOM 948 CD2 TYR A 70 1.931 4.167 -0.844 1.00 0.00 C ATOM 949 CE1 TYR A 70 1.531 6.746 -1.739 1.00 0.00 C ATOM 950 CE2 TYR A 70 0.931 4.941 -0.287 1.00 0.00 C ATOM 951 CZ TYR A 70 0.735 6.229 -0.738 1.00 0.00 C ATOM 952 OH TYR A 70 -0.258 7.004 -0.185 1.00 0.00 O ATOM 0 H TYR A 70 4.826 4.228 0.144 1.00 0.00 H new ATOM 0 HA TYR A 70 5.974 3.587 -2.504 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.842 3.958 -3.541 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.609 2.761 -2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.149 6.371 -3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.082 3.159 -0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.376 7.756 -2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.306 4.539 0.497 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.255 6.894 0.789 1.00 0.00 H new ATOM 962 N LEU A 71 6.056 6.032 -3.151 1.00 0.00 N ATOM 963 CA LEU A 71 6.374 7.437 -3.378 1.00 0.00 C ATOM 964 C LEU A 71 5.593 7.987 -4.568 1.00 0.00 C ATOM 965 O LEU A 71 5.932 7.749 -5.727 1.00 0.00 O ATOM 966 CB LEU A 71 7.875 7.608 -3.616 1.00 0.00 C ATOM 967 CG LEU A 71 8.342 9.021 -3.971 1.00 0.00 C ATOM 968 CD1 LEU A 71 8.701 9.796 -2.713 1.00 0.00 C ATOM 969 CD2 LEU A 71 9.527 8.967 -4.924 1.00 0.00 C ATOM 0 H LEU A 71 6.286 5.417 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 71 6.087 7.997 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.404 7.287 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.174 6.935 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 71 7.524 9.539 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.031 10.799 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.826 9.865 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.503 9.281 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.846 9.981 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.350 8.431 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.235 8.451 -5.839 1.00 0.00 H new ATOM 981 N PRO A 72 4.524 8.742 -4.276 1.00 0.00 N ATOM 982 CA PRO A 72 3.674 9.344 -5.308 1.00 0.00 C ATOM 983 C PRO A 72 4.383 10.465 -6.061 1.00 0.00 C ATOM 984 O PRO A 72 5.375 11.017 -5.585 1.00 0.00 O ATOM 985 CB PRO A 72 2.490 9.899 -4.513 1.00 0.00 C ATOM 986 CG PRO A 72 3.030 10.136 -3.145 1.00 0.00 C ATOM 987 CD PRO A 72 4.062 9.067 -2.916 1.00 0.00 C ATOM 0 HA PRO A 72 3.390 8.623 -6.074 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.114 10.821 -4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.660 9.193 -4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.473 11.129 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.238 10.080 -2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.879 9.425 -2.289 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.635 8.197 -2.418 1.00 0.00 H new ATOM 995 N THR A 73 3.867 10.798 -7.240 1.00 0.00 N ATOM 996 CA THR A 73 4.451 11.852 -8.059 1.00 0.00 C ATOM 997 C THR A 73 3.456 12.985 -8.288 1.00 0.00 C ATOM 998 O THR A 73 3.843 14.107 -8.613 1.00 0.00 O ATOM 999 CB THR A 73 4.917 11.311 -9.424 1.00 0.00 C ATOM 1000 OG1 THR A 73 5.526 10.025 -9.258 1.00 0.00 O ATOM 1001 CG2 THR A 73 5.906 12.266 -10.076 1.00 0.00 C ATOM 0 H THR A 73 3.046 10.353 -7.649 1.00 0.00 H new ATOM 0 HA THR A 73 5.314 12.234 -7.514 1.00 0.00 H new ATOM 0 HB THR A 73 4.045 11.219 -10.071 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.818 9.686 -10.130 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.221 11.863 -11.038 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.431 13.235 -10.227 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.776 12.385 -9.431 1.00 0.00 H new ATOM 1009 N ALA A 74 2.174 12.684 -8.115 1.00 0.00 N ATOM 1010 CA ALA A 74 1.124 13.678 -8.300 1.00 0.00 C ATOM 1011 C ALA A 74 -0.022 13.456 -7.319 1.00 0.00 C ATOM 1012 O ALA A 74 -0.338 12.327 -6.941 1.00 0.00 O ATOM 1013 CB ALA A 74 0.609 13.642 -9.732 1.00 0.00 C ATOM 0 H ALA A 74 1.837 11.759 -7.847 1.00 0.00 H new ATOM 0 HA ALA A 74 1.551 14.661 -8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.175 14.389 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.428 13.858 -10.419 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.205 12.653 -9.949 1.00 0.00 H new ATOM 1019 N PRO A 75 -0.660 14.556 -6.894 1.00 0.00 N ATOM 1020 CA PRO A 75 -1.780 14.507 -5.950 1.00 0.00 C ATOM 1021 C PRO A 75 -3.034 13.901 -6.570 1.00 0.00 C ATOM 1022 O PRO A 75 -3.334 14.132 -7.740 1.00 0.00 O ATOM 1023 CB PRO A 75 -2.014 15.979 -5.601 1.00 0.00 C ATOM 1024 CG PRO A 75 -1.495 16.735 -6.775 1.00 0.00 C ATOM 1025 CD PRO A 75 -0.337 15.934 -7.303 1.00 0.00 C ATOM 0 HA PRO A 75 -1.558 13.880 -5.086 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.072 16.183 -5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.489 16.257 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.267 16.853 -7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.177 17.736 -6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.249 16.021 -8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.610 16.268 -6.878 1.00 0.00 H new ATOM 1033 N GLY A 76 -3.765 13.123 -5.776 1.00 0.00 N ATOM 1034 CA GLY A 76 -4.979 12.496 -6.265 1.00 0.00 C ATOM 1035 C GLY A 76 -5.342 11.249 -5.484 1.00 0.00 C ATOM 1036 O GLY A 76 -4.781 10.989 -4.420 1.00 0.00 O ATOM 0 H GLY A 76 -3.538 12.916 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.801 13.209 -6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.853 12.239 -7.317 1.00 0.00 H new ATOM 1040 N ASP A 77 -6.285 10.476 -6.012 1.00 0.00 N ATOM 1041 CA ASP A 77 -6.723 9.249 -5.357 1.00 0.00 C ATOM 1042 C ASP A 77 -5.940 8.047 -5.875 1.00 0.00 C ATOM 1043 O ASP A 77 -6.192 7.556 -6.976 1.00 0.00 O ATOM 1044 CB ASP A 77 -8.221 9.033 -5.580 1.00 0.00 C ATOM 1045 CG ASP A 77 -9.015 10.319 -5.463 1.00 0.00 C ATOM 1046 OD1 ASP A 77 -9.256 10.766 -4.321 1.00 0.00 O ATOM 1047 OD2 ASP A 77 -9.395 10.880 -6.512 1.00 0.00 O ATOM 0 H ASP A 77 -6.761 10.677 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.534 9.349 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.380 8.600 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.593 8.312 -4.852 1.00 0.00 H new ATOM 1052 N TYR A 78 -4.990 7.577 -5.074 1.00 0.00 N ATOM 1053 CA TYR A 78 -4.167 6.434 -5.453 1.00 0.00 C ATOM 1054 C TYR A 78 -4.894 5.123 -5.170 1.00 0.00 C ATOM 1055 O TYR A 78 -5.612 4.999 -4.179 1.00 0.00 O ATOM 1056 CB TYR A 78 -2.836 6.465 -4.701 1.00 0.00 C ATOM 1057 CG TYR A 78 -1.828 7.423 -5.294 1.00 0.00 C ATOM 1058 CD1 TYR A 78 -1.831 8.769 -4.948 1.00 0.00 C ATOM 1059 CD2 TYR A 78 -0.871 6.982 -6.200 1.00 0.00 C ATOM 1060 CE1 TYR A 78 -0.912 9.648 -5.488 1.00 0.00 C ATOM 1061 CE2 TYR A 78 0.053 7.854 -6.744 1.00 0.00 C ATOM 1062 CZ TYR A 78 0.028 9.185 -6.385 1.00 0.00 C ATOM 1063 OH TYR A 78 0.946 10.057 -6.924 1.00 0.00 O ATOM 0 H TYR A 78 -4.771 7.970 -4.158 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.972 6.497 -6.524 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.021 6.742 -3.663 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.410 5.462 -4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.565 9.134 -4.245 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.849 5.940 -6.484 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.930 10.691 -5.209 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.791 7.495 -7.446 1.00 0.00 H new ATOM 0 HH TYR A 78 0.737 10.971 -6.638 1.00 0.00 H new ATOM 1073 N SER A 79 -4.700 4.145 -6.050 1.00 0.00 N ATOM 1074 CA SER A 79 -5.338 2.843 -5.898 1.00 0.00 C ATOM 1075 C SER A 79 -4.306 1.765 -5.581 1.00 0.00 C ATOM 1076 O SER A 79 -3.618 1.268 -6.473 1.00 0.00 O ATOM 1077 CB SER A 79 -6.103 2.474 -7.171 1.00 0.00 C ATOM 1078 OG SER A 79 -6.973 3.521 -7.565 1.00 0.00 O ATOM 0 H SER A 79 -4.106 4.230 -6.875 1.00 0.00 H new ATOM 0 HA SER A 79 -6.040 2.905 -5.066 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.397 2.262 -7.974 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.678 1.563 -7.002 1.00 0.00 H new ATOM 0 HG SER A 79 -6.492 4.144 -8.148 1.00 0.00 H new ATOM 1084 N ILE A 80 -4.204 1.409 -4.305 1.00 0.00 N ATOM 1085 CA ILE A 80 -3.257 0.390 -3.870 1.00 0.00 C ATOM 1086 C ILE A 80 -3.867 -1.004 -3.963 1.00 0.00 C ATOM 1087 O ILE A 80 -4.619 -1.424 -3.083 1.00 0.00 O ATOM 1088 CB ILE A 80 -2.789 0.638 -2.423 1.00 0.00 C ATOM 1089 CG1 ILE A 80 -2.134 2.015 -2.304 1.00 0.00 C ATOM 1090 CG2 ILE A 80 -1.823 -0.453 -1.985 1.00 0.00 C ATOM 1091 CD1 ILE A 80 -2.294 2.645 -0.938 1.00 0.00 C ATOM 0 H ILE A 80 -4.765 1.811 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.398 0.453 -4.538 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.659 0.612 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.072 1.924 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.564 2.679 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.501 -0.264 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.320 -1.422 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.954 -0.456 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.805 3.619 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.354 2.769 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.838 2.002 -0.185 1.00 0.00 H new ATOM 1103 N ILE A 81 -3.538 -1.717 -5.035 1.00 0.00 N ATOM 1104 CA ILE A 81 -4.052 -3.065 -5.242 1.00 0.00 C ATOM 1105 C ILE A 81 -3.167 -4.102 -4.558 1.00 0.00 C ATOM 1106 O ILE A 81 -1.958 -4.149 -4.787 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.156 -3.404 -6.741 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.076 -2.407 -7.449 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -4.663 -4.826 -6.928 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -4.715 -2.176 -8.899 1.00 0.00 C ATOM 0 H ILE A 81 -2.918 -1.384 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.049 -3.094 -4.801 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.163 -3.332 -7.185 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.103 -2.769 -7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.043 -1.455 -6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.731 -5.051 -7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.973 -5.524 -6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.648 -4.924 -6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.409 -1.459 -9.337 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.700 -1.784 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.776 -3.118 -9.444 1.00 0.00 H new ATOM 1122 N VAL A 82 -3.777 -4.932 -3.719 1.00 0.00 N ATOM 1123 CA VAL A 82 -3.046 -5.971 -3.004 1.00 0.00 C ATOM 1124 C VAL A 82 -3.762 -7.313 -3.100 1.00 0.00 C ATOM 1125 O VAL A 82 -4.699 -7.584 -2.348 1.00 0.00 O ATOM 1126 CB VAL A 82 -2.860 -5.605 -1.519 1.00 0.00 C ATOM 1127 CG1 VAL A 82 -2.004 -6.647 -0.816 1.00 0.00 C ATOM 1128 CG2 VAL A 82 -2.248 -4.220 -1.384 1.00 0.00 C ATOM 0 H VAL A 82 -4.777 -4.905 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.067 -6.051 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.839 -5.591 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.883 -6.372 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.489 -7.621 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.025 -6.696 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.124 -3.978 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.276 -4.202 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.905 -3.485 -1.850 1.00 0.00 H new ATOM 1138 N ARG A 83 -3.315 -8.151 -4.029 1.00 0.00 N ATOM 1139 CA ARG A 83 -3.914 -9.466 -4.225 1.00 0.00 C ATOM 1140 C ARG A 83 -3.072 -10.551 -3.560 1.00 0.00 C ATOM 1141 O ARG A 83 -1.862 -10.395 -3.389 1.00 0.00 O ATOM 1142 CB ARG A 83 -4.064 -9.765 -5.717 1.00 0.00 C ATOM 1143 CG ARG A 83 -4.804 -8.681 -6.484 1.00 0.00 C ATOM 1144 CD ARG A 83 -5.017 -9.073 -7.938 1.00 0.00 C ATOM 1145 NE ARG A 83 -5.268 -7.912 -8.787 1.00 0.00 N ATOM 1146 CZ ARG A 83 -5.550 -7.996 -10.082 1.00 0.00 C ATOM 1147 NH1 ARG A 83 -5.618 -9.181 -10.674 1.00 0.00 N ATOM 1148 NH2 ARG A 83 -5.766 -6.893 -10.789 1.00 0.00 N ATOM 0 H ARG A 83 -2.540 -7.943 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.901 -9.460 -3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.074 -9.896 -6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.594 -10.710 -5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.768 -8.494 -6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.239 -7.750 -6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.138 -9.605 -8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.859 -9.762 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.224 -6.986 -8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.454 -10.031 -10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.835 -9.242 -11.669 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.715 -5.980 -10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.982 -6.959 -11.784 1.00 0.00 H new ATOM 1162 N PHE A 84 -3.719 -11.650 -3.187 1.00 0.00 N ATOM 1163 CA PHE A 84 -3.031 -12.760 -2.539 1.00 0.00 C ATOM 1164 C PHE A 84 -3.485 -14.095 -3.122 1.00 0.00 C ATOM 1165 O PHE A 84 -4.598 -14.552 -2.861 1.00 0.00 O ATOM 1166 CB PHE A 84 -3.285 -12.736 -1.031 1.00 0.00 C ATOM 1167 CG PHE A 84 -2.463 -13.735 -0.268 1.00 0.00 C ATOM 1168 CD1 PHE A 84 -2.931 -15.023 -0.061 1.00 0.00 C ATOM 1169 CD2 PHE A 84 -1.222 -13.387 0.241 1.00 0.00 C ATOM 1170 CE1 PHE A 84 -2.177 -15.944 0.642 1.00 0.00 C ATOM 1171 CE2 PHE A 84 -0.464 -14.305 0.944 1.00 0.00 C ATOM 1172 CZ PHE A 84 -0.941 -15.585 1.143 1.00 0.00 C ATOM 0 H PHE A 84 -4.719 -11.796 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.962 -12.648 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.073 -11.737 -0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.342 -12.930 -0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.895 -15.310 -0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.843 -12.388 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.554 -16.944 0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.501 -14.021 1.337 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.349 -16.304 1.689 1.00 0.00 H new ATOM 1182 N ASP A 85 -2.615 -14.716 -3.911 1.00 0.00 N ATOM 1183 CA ASP A 85 -2.926 -15.999 -4.531 1.00 0.00 C ATOM 1184 C ASP A 85 -4.114 -15.872 -5.479 1.00 0.00 C ATOM 1185 O ASP A 85 -4.986 -16.740 -5.517 1.00 0.00 O ATOM 1186 CB ASP A 85 -3.222 -17.049 -3.459 1.00 0.00 C ATOM 1187 CG ASP A 85 -3.488 -18.420 -4.049 1.00 0.00 C ATOM 1188 OD1 ASP A 85 -2.610 -18.935 -4.773 1.00 0.00 O ATOM 1189 OD2 ASP A 85 -4.574 -18.978 -3.786 1.00 0.00 O ATOM 0 H ASP A 85 -1.689 -14.352 -4.136 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.057 -16.315 -5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.378 -17.110 -2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.087 -16.734 -2.875 1.00 0.00 H new ATOM 1194 N ASP A 86 -4.142 -14.784 -6.241 1.00 0.00 N ATOM 1195 CA ASP A 86 -5.224 -14.542 -7.189 1.00 0.00 C ATOM 1196 C ASP A 86 -6.532 -14.255 -6.459 1.00 0.00 C ATOM 1197 O ASP A 86 -7.597 -14.722 -6.863 1.00 0.00 O ATOM 1198 CB ASP A 86 -5.397 -15.747 -8.116 1.00 0.00 C ATOM 1199 CG ASP A 86 -6.200 -15.411 -9.357 1.00 0.00 C ATOM 1200 OD1 ASP A 86 -6.063 -14.279 -9.864 1.00 0.00 O ATOM 1201 OD2 ASP A 86 -6.968 -16.281 -9.820 1.00 0.00 O ATOM 0 H ASP A 86 -3.428 -14.056 -6.221 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.963 -13.668 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.416 -16.119 -8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.893 -16.552 -7.573 1.00 0.00 H new ATOM 1206 N LYS A 87 -6.445 -13.483 -5.381 1.00 0.00 N ATOM 1207 CA LYS A 87 -7.621 -13.132 -4.593 1.00 0.00 C ATOM 1208 C LYS A 87 -7.459 -11.754 -3.959 1.00 0.00 C ATOM 1209 O LYS A 87 -6.555 -11.532 -3.154 1.00 0.00 O ATOM 1210 CB LYS A 87 -7.863 -14.181 -3.505 1.00 0.00 C ATOM 1211 CG LYS A 87 -8.036 -15.589 -4.046 1.00 0.00 C ATOM 1212 CD LYS A 87 -8.465 -16.556 -2.955 1.00 0.00 C ATOM 1213 CE LYS A 87 -8.284 -18.003 -3.390 1.00 0.00 C ATOM 1214 NZ LYS A 87 -9.331 -18.425 -4.362 1.00 0.00 N ATOM 0 H LYS A 87 -5.571 -13.088 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.481 -13.106 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.025 -14.169 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.753 -13.906 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.780 -15.585 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.099 -15.928 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.882 -16.370 -2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.510 -16.379 -2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.299 -18.126 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.318 -18.652 -2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.173 -19.416 -4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.269 -18.332 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.283 -17.822 -5.208 1.00 0.00 H new ATOM 1228 N HIS A 88 -8.343 -10.831 -4.327 1.00 0.00 N ATOM 1229 CA HIS A 88 -8.299 -9.475 -3.792 1.00 0.00 C ATOM 1230 C HIS A 88 -8.640 -9.466 -2.304 1.00 0.00 C ATOM 1231 O HIS A 88 -9.626 -10.071 -1.880 1.00 0.00 O ATOM 1232 CB HIS A 88 -9.269 -8.572 -4.554 1.00 0.00 C ATOM 1233 CG HIS A 88 -8.625 -7.811 -5.672 1.00 0.00 C ATOM 1234 ND1 HIS A 88 -8.392 -6.453 -5.622 1.00 0.00 N ATOM 1235 CD2 HIS A 88 -8.163 -8.227 -6.875 1.00 0.00 C ATOM 1236 CE1 HIS A 88 -7.816 -6.066 -6.746 1.00 0.00 C ATOM 1237 NE2 HIS A 88 -7.666 -7.123 -7.523 1.00 0.00 N ATOM 0 H HIS A 88 -9.097 -10.998 -4.993 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.285 -9.095 -3.917 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -10.078 -9.181 -4.958 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.719 -7.866 -3.857 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -8.628 -5.843 -4.839 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.182 -9.238 -7.254 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.518 -5.057 -6.988 1.00 0.00 H new ATOM 1246 N ILE A 89 -7.819 -8.779 -1.518 1.00 0.00 N ATOM 1247 CA ILE A 89 -8.035 -8.692 -0.079 1.00 0.00 C ATOM 1248 C ILE A 89 -9.227 -7.798 0.245 1.00 0.00 C ATOM 1249 O ILE A 89 -9.577 -6.890 -0.509 1.00 0.00 O ATOM 1250 CB ILE A 89 -6.788 -8.149 0.645 1.00 0.00 C ATOM 1251 CG1 ILE A 89 -6.458 -6.739 0.149 1.00 0.00 C ATOM 1252 CG2 ILE A 89 -5.605 -9.081 0.434 1.00 0.00 C ATOM 1253 CD1 ILE A 89 -5.359 -6.064 0.939 1.00 0.00 C ATOM 0 H ILE A 89 -6.998 -8.274 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.237 -9.704 0.272 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.999 -8.098 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.162 -6.791 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.358 -6.126 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.732 -8.684 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.844 -10.068 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.390 -9.161 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.177 -5.069 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.660 -5.980 1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.446 -6.656 0.871 1.00 0.00 H new ATOM 1265 N PRO A 90 -9.866 -8.059 1.395 1.00 0.00 N ATOM 1266 CA PRO A 90 -11.028 -7.288 1.848 1.00 0.00 C ATOM 1267 C PRO A 90 -10.656 -5.868 2.262 1.00 0.00 C ATOM 1268 O PRO A 90 -10.471 -5.585 3.445 1.00 0.00 O ATOM 1269 CB PRO A 90 -11.533 -8.082 3.055 1.00 0.00 C ATOM 1270 CG PRO A 90 -10.335 -8.812 3.556 1.00 0.00 C ATOM 1271 CD PRO A 90 -9.503 -9.126 2.343 1.00 0.00 C ATOM 0 HA PRO A 90 -11.770 -7.169 1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.943 -7.422 3.820 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.327 -8.772 2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.775 -8.203 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.624 -9.724 4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.438 -9.114 2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.732 -10.114 1.943 1.00 0.00 H new ATOM 1279 N GLY A 91 -10.547 -4.979 1.280 1.00 0.00 N ATOM 1280 CA GLY A 91 -10.198 -3.599 1.564 1.00 0.00 C ATOM 1281 C GLY A 91 -9.439 -2.947 0.425 1.00 0.00 C ATOM 1282 O GLY A 91 -9.263 -1.729 0.405 1.00 0.00 O ATOM 0 H GLY A 91 -10.694 -5.189 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.107 -3.031 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.593 -3.559 2.470 1.00 0.00 H new ATOM 1286 N SER A 92 -8.988 -3.759 -0.525 1.00 0.00 N ATOM 1287 CA SER A 92 -8.239 -3.255 -1.670 1.00 0.00 C ATOM 1288 C SER A 92 -9.076 -3.334 -2.944 1.00 0.00 C ATOM 1289 O SER A 92 -9.992 -4.147 -3.066 1.00 0.00 O ATOM 1290 CB SER A 92 -6.943 -4.048 -1.848 1.00 0.00 C ATOM 1291 OG SER A 92 -6.604 -4.171 -3.218 1.00 0.00 O ATOM 0 H SER A 92 -9.128 -4.769 -0.525 1.00 0.00 H new ATOM 0 HA SER A 92 -7.994 -2.210 -1.481 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.133 -3.552 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.056 -5.039 -1.408 1.00 0.00 H new ATOM 0 HG SER A 92 -6.724 -5.101 -3.502 1.00 0.00 H new ATOM 1297 N PRO A 93 -8.754 -2.468 -3.916 1.00 0.00 N ATOM 1298 CA PRO A 93 -7.666 -1.494 -3.782 1.00 0.00 C ATOM 1299 C PRO A 93 -7.992 -0.395 -2.776 1.00 0.00 C ATOM 1300 O PRO A 93 -9.091 0.160 -2.784 1.00 0.00 O ATOM 1301 CB PRO A 93 -7.537 -0.910 -5.190 1.00 0.00 C ATOM 1302 CG PRO A 93 -8.882 -1.096 -5.803 1.00 0.00 C ATOM 1303 CD PRO A 93 -9.428 -2.371 -5.222 1.00 0.00 C ATOM 0 HA PRO A 93 -6.750 -1.955 -3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.259 0.144 -5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.766 -1.425 -5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.534 -0.253 -5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.811 -1.161 -6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.512 -2.331 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.203 -3.229 -5.855 1.00 0.00 H new ATOM 1311 N PHE A 94 -7.031 -0.086 -1.912 1.00 0.00 N ATOM 1312 CA PHE A 94 -7.217 0.947 -0.900 1.00 0.00 C ATOM 1313 C PHE A 94 -7.013 2.336 -1.496 1.00 0.00 C ATOM 1314 O PHE A 94 -5.886 2.745 -1.778 1.00 0.00 O ATOM 1315 CB PHE A 94 -6.247 0.731 0.263 1.00 0.00 C ATOM 1316 CG PHE A 94 -6.630 -0.411 1.160 1.00 0.00 C ATOM 1317 CD1 PHE A 94 -7.574 -0.237 2.160 1.00 0.00 C ATOM 1318 CD2 PHE A 94 -6.047 -1.658 1.004 1.00 0.00 C ATOM 1319 CE1 PHE A 94 -7.928 -1.286 2.987 1.00 0.00 C ATOM 1320 CE2 PHE A 94 -6.398 -2.711 1.828 1.00 0.00 C ATOM 1321 CZ PHE A 94 -7.340 -2.525 2.820 1.00 0.00 C ATOM 0 H PHE A 94 -6.116 -0.536 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 94 -8.240 0.877 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.249 0.550 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.193 1.645 0.855 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.038 0.729 2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.310 -1.809 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.664 -1.137 3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.936 -3.678 1.696 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.617 -3.346 3.464 1.00 0.00 H new ATOM 1331 N THR A 95 -8.112 3.059 -1.688 1.00 0.00 N ATOM 1332 CA THR A 95 -8.055 4.402 -2.252 1.00 0.00 C ATOM 1333 C THR A 95 -7.404 5.380 -1.281 1.00 0.00 C ATOM 1334 O THR A 95 -8.028 5.818 -0.315 1.00 0.00 O ATOM 1335 CB THR A 95 -9.460 4.917 -2.618 1.00 0.00 C ATOM 1336 OG1 THR A 95 -10.130 3.965 -3.451 1.00 0.00 O ATOM 1337 CG2 THR A 95 -9.375 6.256 -3.335 1.00 0.00 C ATOM 0 H THR A 95 -9.053 2.737 -1.461 1.00 0.00 H new ATOM 0 HA THR A 95 -7.452 4.339 -3.158 1.00 0.00 H new ATOM 0 HB THR A 95 -10.025 5.052 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.023 4.300 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.379 6.600 -3.584 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.892 6.986 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.793 6.143 -4.250 1.00 0.00 H new ATOM 1345 N ALA A 96 -6.147 5.719 -1.544 1.00 0.00 N ATOM 1346 CA ALA A 96 -5.412 6.648 -0.694 1.00 0.00 C ATOM 1347 C ALA A 96 -5.432 8.057 -1.276 1.00 0.00 C ATOM 1348 O ALA A 96 -5.272 8.244 -2.482 1.00 0.00 O ATOM 1349 CB ALA A 96 -3.979 6.172 -0.506 1.00 0.00 C ATOM 0 H ALA A 96 -5.616 5.364 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.903 6.678 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.443 6.875 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.981 5.188 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.486 6.111 -1.476 1.00 0.00 H new ATOM 1355 N LYS A 97 -5.629 9.047 -0.411 1.00 0.00 N ATOM 1356 CA LYS A 97 -5.669 10.440 -0.839 1.00 0.00 C ATOM 1357 C LYS A 97 -4.309 11.105 -0.654 1.00 0.00 C ATOM 1358 O LYS A 97 -3.718 11.042 0.424 1.00 0.00 O ATOM 1359 CB LYS A 97 -6.734 11.206 -0.050 1.00 0.00 C ATOM 1360 CG LYS A 97 -8.115 11.148 -0.679 1.00 0.00 C ATOM 1361 CD LYS A 97 -9.174 11.723 0.247 1.00 0.00 C ATOM 1362 CE LYS A 97 -10.577 11.363 -0.219 1.00 0.00 C ATOM 1363 NZ LYS A 97 -11.614 12.192 0.455 1.00 0.00 N ATOM 0 H LYS A 97 -5.763 8.910 0.591 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.924 10.462 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.787 10.801 0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.428 12.248 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.112 11.702 -1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.363 10.114 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.018 11.347 1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.071 12.807 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.648 11.499 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.767 10.309 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.556 11.917 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.564 12.043 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.448 13.196 0.242 1.00 0.00 H new ATOM 1377 N ILE A 98 -3.819 11.742 -1.712 1.00 0.00 N ATOM 1378 CA ILE A 98 -2.529 12.420 -1.666 1.00 0.00 C ATOM 1379 C ILE A 98 -2.674 13.900 -2.005 1.00 0.00 C ATOM 1380 O ILE A 98 -3.331 14.264 -2.981 1.00 0.00 O ATOM 1381 CB ILE A 98 -1.520 11.779 -2.636 1.00 0.00 C ATOM 1382 CG1 ILE A 98 -1.324 10.299 -2.299 1.00 0.00 C ATOM 1383 CG2 ILE A 98 -0.192 12.520 -2.585 1.00 0.00 C ATOM 1384 CD1 ILE A 98 -0.588 10.069 -0.998 1.00 0.00 C ATOM 0 H ILE A 98 -4.296 11.803 -2.612 1.00 0.00 H new ATOM 0 HA ILE A 98 -2.155 12.317 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.916 11.852 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.299 9.814 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.773 9.820 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.511 12.055 -3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.345 13.561 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.211 12.475 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.485 8.998 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.401 10.524 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.149 10.519 -0.178 1.00 0.00 H new ATOM 1396 N THR A 99 -2.054 14.751 -1.193 1.00 0.00 N ATOM 1397 CA THR A 99 -2.113 16.191 -1.406 1.00 0.00 C ATOM 1398 C THR A 99 -0.784 16.724 -1.929 1.00 0.00 C ATOM 1399 O THR A 99 0.278 16.185 -1.618 1.00 0.00 O ATOM 1400 CB THR A 99 -2.477 16.937 -0.109 1.00 0.00 C ATOM 1401 OG1 THR A 99 -1.648 16.483 0.967 1.00 0.00 O ATOM 1402 CG2 THR A 99 -3.941 16.722 0.247 1.00 0.00 C ATOM 0 H THR A 99 -1.505 14.467 -0.382 1.00 0.00 H new ATOM 0 HA THR A 99 -2.891 16.369 -2.149 1.00 0.00 H new ATOM 0 HB THR A 99 -2.311 18.002 -0.271 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.885 16.963 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.174 17.259 1.167 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.570 17.095 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.128 15.658 0.390 1.00 0.00 H new