USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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 16 ASN : amide:sc= -3.59! K(o=-1.5!,f=-3.3) USER MOD Set 1.2: A 18 ASN : amide:sc= 0.291 K(o=-1.5,f=-3.3!) USER MOD Set 1.3: A 56 SER OG : rot 70:sc= 0.211 USER MOD Set 1.4: A 58 THR OG1 : rot 70:sc= 0.417 USER MOD Set 1.5: A 79 TYR OH : rot 162:sc= 1.14 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.582 K(o=1.3,f=-1.2) USER MOD Set 2.2: A 45 LYS NZ :NH3+ 141:sc= 0.74 (180deg=0.152) USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 51 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.079) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 17 ASN : amide:sc=-0.00327 X(o=-0.0033,f=-0.15) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 72:sc= 0.0962 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 35 SER OG : rot 79:sc= 0.144 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -112:sc= 0.457 (180deg=-0.4) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -111:sc= 0.0103 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -126:sc= 0.563 (180deg=0.43) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0033 USER MOD Single : A 61 THR OG1 : rot 61:sc= -0.0991 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 132:sc= -0.31 (180deg=-2.06!) USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= -0.0806 (180deg=-0.394) USER MOD Single : A 88 ASN : amide:sc= 0.00784 X(o=0.0078,f=-0.098) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 -14.173 -1.565 -1.233 1.00 74.43 N ATOM 171 CA ASP A 11 -13.379 -0.729 -2.142 1.00 53.13 C ATOM 172 C ASP A 11 -12.065 -0.330 -1.469 1.00 60.01 C ATOM 173 O ASP A 11 -12.051 0.142 -0.324 1.00 0.24 O ATOM 174 CB ASP A 11 -14.184 0.524 -2.551 1.00 2.33 C ATOM 175 CG ASP A 11 -15.544 0.156 -3.155 1.00 55.34 C ATOM 176 OD1 ASP A 11 -15.571 -0.397 -4.278 1.00 23.30 O ATOM 177 OD2 ASP A 11 -16.589 0.372 -2.494 1.00 4.42 O ATOM 0 HA ASP A 11 -13.149 -1.299 -3.042 1.00 53.13 H new ATOM 0 HB2 ASP A 11 -14.334 1.160 -1.679 1.00 2.33 H new ATOM 0 HB3 ASP A 11 -13.611 1.104 -3.274 1.00 2.33 H new ATOM 182 N ILE A 12 -10.971 -0.549 -2.183 1.00 12.41 N ATOM 183 CA ILE A 12 -9.610 -0.377 -1.670 1.00 33.35 C ATOM 184 C ILE A 12 -9.124 1.058 -1.929 1.00 51.44 C ATOM 185 O ILE A 12 -8.811 1.416 -3.069 1.00 33.12 O ATOM 186 CB ILE A 12 -8.649 -1.392 -2.388 1.00 1.52 C ATOM 187 CG1 ILE A 12 -9.206 -2.845 -2.300 1.00 10.34 C ATOM 188 CG2 ILE A 12 -7.221 -1.314 -1.828 1.00 53.34 C ATOM 189 CD1 ILE A 12 -8.456 -3.863 -3.165 1.00 4.51 C ATOM 0 H ILE A 12 -10.999 -0.857 -3.155 1.00 12.41 H new ATOM 0 HA ILE A 12 -9.608 -0.564 -0.596 1.00 33.35 H new ATOM 0 HB ILE A 12 -8.602 -1.110 -3.440 1.00 1.52 H new ATOM 0 HG12 ILE A 12 -9.170 -3.173 -1.261 1.00 10.34 H new ATOM 0 HG13 ILE A 12 -10.255 -2.838 -2.596 1.00 10.34 H new ATOM 0 HG21 ILE A 12 -6.586 -2.030 -2.349 1.00 53.34 H new ATOM 0 HG22 ILE A 12 -6.828 -0.308 -1.973 1.00 53.34 H new ATOM 0 HG23 ILE A 12 -7.234 -1.548 -0.764 1.00 53.34 H new ATOM 0 HD11 ILE A 12 -8.909 -4.847 -3.044 1.00 4.51 H new ATOM 0 HD12 ILE A 12 -8.513 -3.563 -4.211 1.00 4.51 H new ATOM 0 HD13 ILE A 12 -7.412 -3.904 -2.856 1.00 4.51 H new ATOM 201 N GLN A 13 -9.075 1.884 -0.877 1.00 40.42 N ATOM 202 CA GLN A 13 -8.518 3.242 -0.966 1.00 12.52 C ATOM 203 C GLN A 13 -7.064 3.242 -0.456 1.00 64.13 C ATOM 204 O GLN A 13 -6.793 2.851 0.687 1.00 23.23 O ATOM 205 CB GLN A 13 -9.380 4.250 -0.167 1.00 64.54 C ATOM 206 CG GLN A 13 -8.909 5.720 -0.277 1.00 52.33 C ATOM 207 CD GLN A 13 -9.728 6.696 0.565 1.00 24.33 C ATOM 208 OE1 GLN A 13 -10.921 6.491 0.809 1.00 74.02 O ATOM 209 NE2 GLN A 13 -9.099 7.775 1.005 1.00 64.24 N ATOM 0 H GLN A 13 -9.416 1.635 0.051 1.00 40.42 H new ATOM 0 HA GLN A 13 -8.527 3.555 -2.010 1.00 12.52 H new ATOM 0 HB2 GLN A 13 -10.411 4.184 -0.515 1.00 64.54 H new ATOM 0 HB3 GLN A 13 -9.379 3.958 0.883 1.00 64.54 H new ATOM 0 HG2 GLN A 13 -7.864 5.780 0.028 1.00 52.33 H new ATOM 0 HG3 GLN A 13 -8.955 6.029 -1.321 1.00 52.33 H new ATOM 0 HE21 GLN A 13 -8.113 7.915 0.786 1.00 64.24 H new ATOM 0 HE22 GLN A 13 -9.601 8.466 1.563 1.00 64.24 H new ATOM 218 N VAL A 14 -6.147 3.657 -1.338 1.00 71.43 N ATOM 219 CA VAL A 14 -4.728 3.850 -1.019 1.00 51.34 C ATOM 220 C VAL A 14 -4.535 5.310 -0.598 1.00 51.24 C ATOM 221 O VAL A 14 -5.021 6.203 -1.284 1.00 11.15 O ATOM 222 CB VAL A 14 -3.816 3.560 -2.271 1.00 72.20 C ATOM 223 CG1 VAL A 14 -2.318 3.533 -1.881 1.00 42.25 C ATOM 224 CG2 VAL A 14 -4.240 2.254 -2.978 1.00 20.12 C ATOM 0 H VAL A 14 -6.374 3.872 -2.309 1.00 71.43 H new ATOM 0 HA VAL A 14 -4.445 3.161 -0.223 1.00 51.34 H new ATOM 0 HB VAL A 14 -3.954 4.377 -2.979 1.00 72.20 H new ATOM 0 HG11 VAL A 14 -1.715 3.331 -2.766 1.00 42.25 H new ATOM 0 HG12 VAL A 14 -2.034 4.498 -1.461 1.00 42.25 H new ATOM 0 HG13 VAL A 14 -2.149 2.751 -1.140 1.00 42.25 H new ATOM 0 HG21 VAL A 14 -3.593 2.079 -3.838 1.00 20.12 H new ATOM 0 HG22 VAL A 14 -4.153 1.419 -2.283 1.00 20.12 H new ATOM 0 HG23 VAL A 14 -5.274 2.341 -3.313 1.00 20.12 H new ATOM 234 N GLN A 15 -3.845 5.545 0.521 1.00 43.52 N ATOM 235 CA GLN A 15 -3.500 6.893 0.989 1.00 41.02 C ATOM 236 C GLN A 15 -2.015 6.886 1.363 1.00 55.43 C ATOM 237 O GLN A 15 -1.627 6.292 2.368 1.00 75.45 O ATOM 238 CB GLN A 15 -4.397 7.285 2.197 1.00 44.23 C ATOM 239 CG GLN A 15 -4.157 8.708 2.749 1.00 2.10 C ATOM 240 CD GLN A 15 -5.010 9.058 3.975 1.00 12.52 C ATOM 241 OE1 GLN A 15 -5.360 8.193 4.781 1.00 65.03 O ATOM 242 NE2 GLN A 15 -5.336 10.336 4.139 1.00 54.31 N ATOM 0 H GLN A 15 -3.507 4.802 1.133 1.00 43.52 H new ATOM 0 HA GLN A 15 -3.675 7.636 0.211 1.00 41.02 H new ATOM 0 HB2 GLN A 15 -5.442 7.198 1.899 1.00 44.23 H new ATOM 0 HB3 GLN A 15 -4.234 6.567 3.001 1.00 44.23 H new ATOM 0 HG2 GLN A 15 -3.104 8.811 3.011 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -4.361 9.431 1.960 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -5.033 11.031 3.457 1.00 54.31 H new ATOM 0 HE22 GLN A 15 -5.889 10.622 4.947 1.00 54.31 H new ATOM 251 N ASN A 16 -1.181 7.520 0.535 1.00 72.20 N ATOM 252 CA ASN A 16 0.281 7.523 0.712 1.00 74.42 C ATOM 253 C ASN A 16 0.753 8.939 1.074 1.00 23.14 C ATOM 254 O ASN A 16 0.289 9.922 0.489 1.00 25.20 O ATOM 255 CB ASN A 16 0.962 7.009 -0.578 1.00 40.14 C ATOM 256 CG ASN A 16 2.485 6.905 -0.513 1.00 74.14 C ATOM 257 OD1 ASN A 16 3.167 7.172 -1.495 1.00 33.04 O ATOM 258 ND2 ASN A 16 3.029 6.478 0.618 1.00 43.52 N ATOM 0 H ASN A 16 -1.496 8.047 -0.279 1.00 72.20 H new ATOM 0 HA ASN A 16 0.559 6.856 1.528 1.00 74.42 H new ATOM 0 HB2 ASN A 16 0.557 6.026 -0.817 1.00 40.14 H new ATOM 0 HB3 ASN A 16 0.694 7.672 -1.400 1.00 40.14 H new ATOM 0 HD21 ASN A 16 4.040 6.364 0.686 1.00 43.52 H new ATOM 0 HD22 ASN A 16 2.436 6.263 1.420 1.00 43.52 H new ATOM 265 N ASN A 17 1.668 9.031 2.050 1.00 51.54 N ATOM 266 CA ASN A 17 2.098 10.300 2.654 1.00 12.32 C ATOM 267 C ASN A 17 3.601 10.506 2.425 1.00 71.40 C ATOM 268 O ASN A 17 4.421 9.743 2.943 1.00 23.02 O ATOM 269 CB ASN A 17 1.779 10.289 4.171 1.00 51.31 C ATOM 270 CG ASN A 17 0.288 10.088 4.469 1.00 21.24 C ATOM 271 OD1 ASN A 17 -0.182 8.956 4.610 1.00 2.14 O ATOM 272 ND2 ASN A 17 -0.461 11.176 4.571 1.00 74.03 N ATOM 0 H ASN A 17 2.136 8.216 2.447 1.00 51.54 H new ATOM 0 HA ASN A 17 1.559 11.124 2.186 1.00 12.32 H new ATOM 0 HB2 ASN A 17 2.350 9.494 4.651 1.00 51.31 H new ATOM 0 HB3 ASN A 17 2.108 11.229 4.613 1.00 51.31 H new ATOM 0 HD21 ASN A 17 -1.458 11.092 4.772 1.00 74.03 H new ATOM 0 HD22 ASN A 17 -0.041 12.098 4.449 1.00 74.03 H new ATOM 279 N ASN A 18 3.947 11.522 1.622 1.00 34.33 N ATOM 280 CA ASN A 18 5.341 11.879 1.292 1.00 42.21 C ATOM 281 C ASN A 18 5.566 13.365 1.612 1.00 21.25 C ATOM 282 O ASN A 18 4.774 14.214 1.189 1.00 73.20 O ATOM 283 CB ASN A 18 5.641 11.627 -0.210 1.00 24.34 C ATOM 284 CG ASN A 18 5.482 10.174 -0.636 1.00 2.04 C ATOM 285 OD1 ASN A 18 6.434 9.394 -0.604 1.00 60.43 O ATOM 286 ND2 ASN A 18 4.280 9.795 -1.029 1.00 23.52 N ATOM 0 H ASN A 18 3.260 12.129 1.176 1.00 34.33 H new ATOM 0 HA ASN A 18 6.010 11.256 1.885 1.00 42.21 H new ATOM 0 HB2 ASN A 18 4.976 12.247 -0.812 1.00 24.34 H new ATOM 0 HB3 ASN A 18 6.660 11.949 -0.426 1.00 24.34 H new ATOM 0 HD21 ASN A 18 4.119 8.830 -1.318 1.00 23.52 H new ATOM 0 HD22 ASN A 18 3.513 10.467 -1.044 1.00 23.52 H new ATOM 293 N THR A 19 6.636 13.672 2.361 1.00 62.13 N ATOM 294 CA THR A 19 6.986 15.053 2.728 1.00 72.53 C ATOM 295 C THR A 19 8.205 15.521 1.903 1.00 53.53 C ATOM 296 O THR A 19 9.160 14.748 1.714 1.00 5.03 O ATOM 297 CB THR A 19 7.284 15.157 4.264 1.00 54.13 C ATOM 298 OG1 THR A 19 6.243 14.484 4.996 1.00 42.40 O ATOM 299 CG2 THR A 19 7.363 16.619 4.754 1.00 4.41 C ATOM 0 H THR A 19 7.281 12.973 2.728 1.00 62.13 H new ATOM 0 HA THR A 19 6.140 15.703 2.504 1.00 72.53 H new ATOM 0 HB THR A 19 8.254 14.692 4.437 1.00 54.13 H new ATOM 0 HG1 THR A 19 6.427 14.545 5.957 1.00 42.40 H new ATOM 0 HG21 THR A 19 7.571 16.633 5.824 1.00 4.41 H new ATOM 0 HG22 THR A 19 8.160 17.138 4.222 1.00 4.41 H new ATOM 0 HG23 THR A 19 6.413 17.119 4.562 1.00 4.41 H new ATOM 407 N TYR A 27 -0.816 10.568 -4.716 1.00 4.20 N ATOM 408 CA TYR A 27 -0.347 9.519 -3.803 1.00 43.54 C ATOM 409 C TYR A 27 -1.562 8.801 -3.164 1.00 43.10 C ATOM 410 O TYR A 27 -1.408 7.817 -2.443 1.00 24.33 O ATOM 411 CB TYR A 27 0.596 10.132 -2.728 1.00 41.15 C ATOM 412 CG TYR A 27 1.857 10.814 -3.307 1.00 71.43 C ATOM 413 CD1 TYR A 27 2.848 10.068 -3.954 1.00 63.55 C ATOM 414 CD2 TYR A 27 2.043 12.200 -3.228 1.00 35.23 C ATOM 415 CE1 TYR A 27 3.970 10.673 -4.494 1.00 72.43 C ATOM 416 CE2 TYR A 27 3.159 12.807 -3.772 1.00 20.43 C ATOM 417 CZ TYR A 27 4.119 12.042 -4.402 1.00 10.34 C ATOM 418 OH TYR A 27 5.224 12.653 -4.956 1.00 13.14 O ATOM 0 HA TYR A 27 0.226 8.776 -4.357 1.00 43.54 H new ATOM 0 HB2 TYR A 27 0.037 10.863 -2.144 1.00 41.15 H new ATOM 0 HB3 TYR A 27 0.905 9.345 -2.041 1.00 41.15 H new ATOM 0 HD1 TYR A 27 2.735 8.997 -4.034 1.00 63.55 H new ATOM 0 HD2 TYR A 27 1.300 12.806 -2.732 1.00 35.23 H new ATOM 0 HE1 TYR A 27 4.725 10.077 -4.985 1.00 72.43 H new ATOM 0 HE2 TYR A 27 3.279 13.878 -3.704 1.00 20.43 H new ATOM 0 HH TYR A 27 5.174 13.620 -4.804 1.00 13.14 H new ATOM 428 N THR A 28 -2.778 9.303 -3.453 1.00 12.23 N ATOM 429 CA THR A 28 -4.041 8.719 -2.974 1.00 1.14 C ATOM 430 C THR A 28 -4.912 8.316 -4.182 1.00 63.35 C ATOM 431 O THR A 28 -5.158 9.128 -5.074 1.00 72.24 O ATOM 432 CB THR A 28 -4.797 9.723 -2.035 1.00 32.43 C ATOM 433 OG1 THR A 28 -3.956 10.030 -0.905 1.00 24.32 O ATOM 434 CG2 THR A 28 -6.154 9.170 -1.539 1.00 71.23 C ATOM 0 H THR A 28 -2.910 10.133 -4.031 1.00 12.23 H new ATOM 0 HA THR A 28 -3.824 7.826 -2.387 1.00 1.14 H new ATOM 0 HB THR A 28 -5.012 10.621 -2.614 1.00 32.43 H new ATOM 0 HG1 THR A 28 -4.420 10.659 -0.313 1.00 24.32 H new ATOM 0 HG21 THR A 28 -6.633 9.906 -0.894 1.00 71.23 H new ATOM 0 HG22 THR A 28 -6.798 8.964 -2.394 1.00 71.23 H new ATOM 0 HG23 THR A 28 -5.989 8.249 -0.979 1.00 71.23 H new ATOM 442 N TYR A 29 -5.337 7.034 -4.212 1.00 44.50 N ATOM 443 CA TYR A 29 -6.197 6.459 -5.279 1.00 71.24 C ATOM 444 C TYR A 29 -7.338 5.653 -4.630 1.00 32.43 C ATOM 445 O TYR A 29 -7.257 5.294 -3.453 1.00 12.30 O ATOM 446 CB TYR A 29 -5.379 5.519 -6.211 1.00 40.20 C ATOM 447 CG TYR A 29 -4.179 6.169 -6.939 1.00 25.34 C ATOM 448 CD1 TYR A 29 -2.916 6.240 -6.331 1.00 25.24 C ATOM 449 CD2 TYR A 29 -4.304 6.686 -8.234 1.00 62.20 C ATOM 450 CE1 TYR A 29 -1.837 6.793 -6.984 1.00 22.22 C ATOM 451 CE2 TYR A 29 -3.220 7.237 -8.891 1.00 52.51 C ATOM 452 CZ TYR A 29 -1.989 7.288 -8.261 1.00 73.04 C ATOM 453 OH TYR A 29 -0.906 7.838 -8.915 1.00 11.12 O ATOM 0 H TYR A 29 -5.091 6.358 -3.489 1.00 44.50 H new ATOM 0 HA TYR A 29 -6.599 7.277 -5.876 1.00 71.24 H new ATOM 0 HB2 TYR A 29 -5.010 4.682 -5.618 1.00 40.20 H new ATOM 0 HB3 TYR A 29 -6.054 5.105 -6.961 1.00 40.20 H new ATOM 0 HD1 TYR A 29 -2.788 5.853 -5.331 1.00 25.24 H new ATOM 0 HD2 TYR A 29 -5.264 6.654 -8.728 1.00 62.20 H new ATOM 0 HE1 TYR A 29 -0.874 6.839 -6.497 1.00 22.22 H new ATOM 0 HE2 TYR A 29 -3.333 7.626 -9.892 1.00 52.51 H new ATOM 0 HH TYR A 29 -1.180 8.139 -9.806 1.00 11.12 H new ATOM 463 N THR A 30 -8.405 5.369 -5.399 1.00 52.34 N ATOM 464 CA THR A 30 -9.506 4.483 -4.963 1.00 43.20 C ATOM 465 C THR A 30 -9.780 3.447 -6.063 1.00 32.44 C ATOM 466 O THR A 30 -10.312 3.789 -7.124 1.00 21.43 O ATOM 467 CB THR A 30 -10.809 5.292 -4.634 1.00 52.10 C ATOM 468 OG1 THR A 30 -10.499 6.336 -3.692 1.00 53.43 O ATOM 469 CG2 THR A 30 -11.924 4.388 -4.056 1.00 5.15 C ATOM 0 H THR A 30 -8.531 5.745 -6.339 1.00 52.34 H new ATOM 0 HA THR A 30 -9.203 3.979 -4.045 1.00 43.20 H new ATOM 0 HB THR A 30 -11.180 5.719 -5.566 1.00 52.10 H new ATOM 0 HG1 THR A 30 -11.312 6.843 -3.487 1.00 53.43 H new ATOM 0 HG21 THR A 30 -12.807 4.990 -3.843 1.00 5.15 H new ATOM 0 HG22 THR A 30 -12.178 3.615 -4.781 1.00 5.15 H new ATOM 0 HG23 THR A 30 -11.573 3.921 -3.136 1.00 5.15 H new ATOM 477 N VAL A 31 -9.377 2.196 -5.820 1.00 42.53 N ATOM 478 CA VAL A 31 -9.562 1.069 -6.759 1.00 63.21 C ATOM 479 C VAL A 31 -10.529 0.032 -6.156 1.00 24.34 C ATOM 480 O VAL A 31 -10.428 -0.311 -4.981 1.00 53.14 O ATOM 481 CB VAL A 31 -8.180 0.406 -7.133 1.00 0.43 C ATOM 482 CG1 VAL A 31 -7.305 1.390 -7.947 1.00 12.14 C ATOM 483 CG2 VAL A 31 -7.425 -0.091 -5.876 1.00 2.31 C ATOM 0 H VAL A 31 -8.906 1.927 -4.956 1.00 42.53 H new ATOM 0 HA VAL A 31 -9.998 1.455 -7.680 1.00 63.21 H new ATOM 0 HB VAL A 31 -8.390 -0.465 -7.753 1.00 0.43 H new ATOM 0 HG11 VAL A 31 -6.356 0.914 -8.195 1.00 12.14 H new ATOM 0 HG12 VAL A 31 -7.824 1.665 -8.865 1.00 12.14 H new ATOM 0 HG13 VAL A 31 -7.117 2.286 -7.355 1.00 12.14 H new ATOM 0 HG21 VAL A 31 -6.478 -0.541 -6.175 1.00 2.31 H new ATOM 0 HG22 VAL A 31 -7.233 0.751 -5.211 1.00 2.31 H new ATOM 0 HG23 VAL A 31 -8.032 -0.833 -5.357 1.00 2.31 H new ATOM 493 N THR A 32 -11.482 -0.444 -6.966 1.00 62.13 N ATOM 494 CA THR A 32 -12.520 -1.397 -6.519 1.00 74.14 C ATOM 495 C THR A 32 -12.005 -2.855 -6.569 1.00 74.11 C ATOM 496 O THR A 32 -12.565 -3.735 -5.898 1.00 14.31 O ATOM 497 CB THR A 32 -13.826 -1.241 -7.380 1.00 23.04 C ATOM 498 OG1 THR A 32 -14.868 -2.094 -6.871 1.00 65.24 O ATOM 499 CG2 THR A 32 -13.592 -1.540 -8.877 1.00 33.33 C ATOM 0 H THR A 32 -11.560 -0.184 -7.949 1.00 62.13 H new ATOM 0 HA THR A 32 -12.760 -1.164 -5.482 1.00 74.14 H new ATOM 0 HB THR A 32 -14.131 -0.198 -7.300 1.00 23.04 H new ATOM 0 HG1 THR A 32 -15.199 -1.735 -6.021 1.00 65.24 H new ATOM 0 HG21 THR A 32 -14.527 -1.417 -9.423 1.00 33.33 H new ATOM 0 HG22 THR A 32 -12.847 -0.851 -9.274 1.00 33.33 H new ATOM 0 HG23 THR A 32 -13.237 -2.564 -8.992 1.00 33.33 H new ATOM 507 N THR A 33 -10.923 -3.094 -7.339 1.00 43.10 N ATOM 508 CA THR A 33 -10.403 -4.455 -7.609 1.00 53.31 C ATOM 509 C THR A 33 -8.927 -4.607 -7.143 1.00 14.52 C ATOM 510 O THR A 33 -8.157 -3.639 -7.152 1.00 75.20 O ATOM 511 CB THR A 33 -10.546 -4.784 -9.134 1.00 42.13 C ATOM 512 OG1 THR A 33 -11.893 -4.521 -9.559 1.00 45.14 O ATOM 513 CG2 THR A 33 -10.198 -6.248 -9.468 1.00 34.21 C ATOM 0 H THR A 33 -10.386 -2.354 -7.790 1.00 43.10 H new ATOM 0 HA THR A 33 -10.995 -5.168 -7.035 1.00 53.31 H new ATOM 0 HB THR A 33 -9.836 -4.147 -9.661 1.00 42.13 H new ATOM 0 HG1 THR A 33 -11.981 -4.726 -10.513 1.00 45.14 H new ATOM 0 HG21 THR A 33 -10.316 -6.415 -10.539 1.00 34.21 H new ATOM 0 HG22 THR A 33 -9.166 -6.451 -9.180 1.00 34.21 H new ATOM 0 HG23 THR A 33 -10.865 -6.914 -8.921 1.00 34.21 H new ATOM 521 N GLU A 34 -8.576 -5.843 -6.745 1.00 30.42 N ATOM 522 CA GLU A 34 -7.258 -6.228 -6.189 1.00 70.02 C ATOM 523 C GLU A 34 -6.103 -6.090 -7.215 1.00 53.44 C ATOM 524 O GLU A 34 -4.978 -5.716 -6.854 1.00 70.22 O ATOM 525 CB GLU A 34 -7.369 -7.695 -5.693 1.00 4.43 C ATOM 526 CG GLU A 34 -8.505 -7.937 -4.661 1.00 0.51 C ATOM 527 CD GLU A 34 -8.938 -9.413 -4.561 1.00 3.20 C ATOM 528 OE1 GLU A 34 -8.089 -10.273 -4.230 1.00 63.30 O ATOM 529 OE2 GLU A 34 -10.114 -9.728 -4.860 1.00 4.22 O ATOM 0 H GLU A 34 -9.221 -6.631 -6.802 1.00 30.42 H new ATOM 0 HA GLU A 34 -7.011 -5.549 -5.372 1.00 70.02 H new ATOM 0 HB2 GLU A 34 -7.530 -8.346 -6.553 1.00 4.43 H new ATOM 0 HB3 GLU A 34 -6.419 -7.988 -5.246 1.00 4.43 H new ATOM 0 HG2 GLU A 34 -8.173 -7.596 -3.680 1.00 0.51 H new ATOM 0 HG3 GLU A 34 -9.369 -7.331 -4.934 1.00 0.51 H new ATOM 536 N SER A 35 -6.396 -6.415 -8.489 1.00 20.34 N ATOM 537 CA SER A 35 -5.410 -6.347 -9.588 1.00 30.33 C ATOM 538 C SER A 35 -5.032 -4.890 -9.895 1.00 44.13 C ATOM 539 O SER A 35 -3.875 -4.586 -10.225 1.00 31.52 O ATOM 540 CB SER A 35 -5.986 -7.031 -10.845 1.00 62.24 C ATOM 541 OG SER A 35 -7.214 -6.431 -11.245 1.00 63.10 O ATOM 0 H SER A 35 -7.319 -6.731 -8.786 1.00 20.34 H new ATOM 0 HA SER A 35 -4.505 -6.870 -9.279 1.00 30.33 H new ATOM 0 HB2 SER A 35 -5.265 -6.966 -11.660 1.00 62.24 H new ATOM 0 HB3 SER A 35 -6.145 -8.090 -10.644 1.00 62.24 H new ATOM 0 HG SER A 35 -7.029 -5.600 -11.730 1.00 63.10 H new ATOM 547 N GLU A 36 -6.034 -3.999 -9.775 1.00 12.53 N ATOM 548 CA GLU A 36 -5.856 -2.559 -9.993 1.00 34.53 C ATOM 549 C GLU A 36 -4.922 -1.972 -8.929 1.00 31.11 C ATOM 550 O GLU A 36 -4.046 -1.165 -9.242 1.00 63.03 O ATOM 551 CB GLU A 36 -7.225 -1.831 -9.987 1.00 51.44 C ATOM 552 CG GLU A 36 -8.280 -2.416 -10.951 1.00 30.11 C ATOM 553 CD GLU A 36 -7.766 -2.592 -12.393 1.00 31.22 C ATOM 554 OE1 GLU A 36 -7.631 -1.583 -13.123 1.00 25.33 O ATOM 555 OE2 GLU A 36 -7.475 -3.740 -12.800 1.00 54.40 O ATOM 0 H GLU A 36 -6.987 -4.261 -9.524 1.00 12.53 H new ATOM 0 HA GLU A 36 -5.400 -2.410 -10.972 1.00 34.53 H new ATOM 0 HB2 GLU A 36 -7.628 -1.855 -8.974 1.00 51.44 H new ATOM 0 HB3 GLU A 36 -7.064 -0.784 -10.242 1.00 51.44 H new ATOM 0 HG2 GLU A 36 -8.611 -3.383 -10.571 1.00 30.11 H new ATOM 0 HG3 GLU A 36 -9.152 -1.762 -10.962 1.00 30.11 H new ATOM 562 N LEU A 37 -5.117 -2.434 -7.679 1.00 52.32 N ATOM 563 CA LEU A 37 -4.290 -2.060 -6.519 1.00 14.41 C ATOM 564 C LEU A 37 -2.796 -2.332 -6.766 1.00 24.25 C ATOM 565 O LEU A 37 -1.963 -1.461 -6.533 1.00 0.54 O ATOM 566 CB LEU A 37 -4.764 -2.847 -5.268 1.00 0.42 C ATOM 567 CG LEU A 37 -3.910 -2.654 -3.975 1.00 11.35 C ATOM 568 CD1 LEU A 37 -3.946 -1.198 -3.487 1.00 4.44 C ATOM 569 CD2 LEU A 37 -4.337 -3.622 -2.867 1.00 64.33 C ATOM 0 H LEU A 37 -5.865 -3.087 -7.445 1.00 52.32 H new ATOM 0 HA LEU A 37 -4.409 -0.989 -6.357 1.00 14.41 H new ATOM 0 HB2 LEU A 37 -5.791 -2.557 -5.048 1.00 0.42 H new ATOM 0 HB3 LEU A 37 -4.779 -3.909 -5.515 1.00 0.42 H new ATOM 0 HG LEU A 37 -2.877 -2.888 -4.234 1.00 11.35 H new ATOM 0 HD11 LEU A 37 -3.341 -1.101 -2.586 1.00 4.44 H new ATOM 0 HD12 LEU A 37 -3.548 -0.544 -4.263 1.00 4.44 H new ATOM 0 HD13 LEU A 37 -4.975 -0.914 -3.266 1.00 4.44 H new ATOM 0 HD21 LEU A 37 -3.721 -3.458 -1.983 1.00 64.33 H new ATOM 0 HD22 LEU A 37 -5.384 -3.449 -2.616 1.00 64.33 H new ATOM 0 HD23 LEU A 37 -4.211 -4.648 -3.212 1.00 64.33 H new ATOM 581 N GLN A 38 -2.492 -3.547 -7.243 1.00 32.03 N ATOM 582 CA GLN A 38 -1.114 -4.022 -7.457 1.00 50.33 C ATOM 583 C GLN A 38 -0.349 -3.123 -8.461 1.00 72.44 C ATOM 584 O GLN A 38 0.818 -2.778 -8.237 1.00 10.44 O ATOM 585 CB GLN A 38 -1.160 -5.496 -7.941 1.00 63.11 C ATOM 586 CG GLN A 38 0.211 -6.128 -8.232 1.00 52.33 C ATOM 587 CD GLN A 38 0.120 -7.627 -8.516 1.00 24.23 C ATOM 588 OE1 GLN A 38 0.226 -8.448 -7.610 1.00 32.11 O ATOM 589 NE2 GLN A 38 -0.094 -7.992 -9.769 1.00 43.24 N ATOM 0 H GLN A 38 -3.201 -4.236 -7.494 1.00 32.03 H new ATOM 0 HA GLN A 38 -0.569 -3.967 -6.515 1.00 50.33 H new ATOM 0 HB2 GLN A 38 -1.666 -6.095 -7.184 1.00 63.11 H new ATOM 0 HB3 GLN A 38 -1.766 -5.547 -8.846 1.00 63.11 H new ATOM 0 HG2 GLN A 38 0.663 -5.627 -9.088 1.00 52.33 H new ATOM 0 HG3 GLN A 38 0.871 -5.963 -7.380 1.00 52.33 H new ATOM 0 HE21 GLN A 38 -0.177 -7.285 -10.499 1.00 43.24 H new ATOM 0 HE22 GLN A 38 -0.176 -8.981 -10.005 1.00 43.24 H new ATOM 598 N LYS A 39 -1.045 -2.725 -9.541 1.00 4.30 N ATOM 599 CA LYS A 39 -0.483 -1.846 -10.586 1.00 53.51 C ATOM 600 C LYS A 39 -0.251 -0.423 -10.036 1.00 41.50 C ATOM 601 O LYS A 39 0.773 0.208 -10.333 1.00 62.23 O ATOM 602 CB LYS A 39 -1.433 -1.811 -11.808 1.00 24.24 C ATOM 603 CG LYS A 39 -1.650 -3.185 -12.485 1.00 70.14 C ATOM 604 CD LYS A 39 -2.658 -3.131 -13.663 1.00 15.24 C ATOM 605 CE LYS A 39 -4.069 -2.702 -13.224 1.00 5.23 C ATOM 606 NZ LYS A 39 -5.066 -2.824 -14.323 1.00 24.13 N ATOM 0 H LYS A 39 -2.011 -3.002 -9.715 1.00 4.30 H new ATOM 0 HA LYS A 39 0.481 -2.245 -10.900 1.00 53.51 H new ATOM 0 HB2 LYS A 39 -2.399 -1.419 -11.491 1.00 24.24 H new ATOM 0 HB3 LYS A 39 -1.032 -1.115 -12.545 1.00 24.24 H new ATOM 0 HG2 LYS A 39 -0.693 -3.558 -12.850 1.00 70.14 H new ATOM 0 HG3 LYS A 39 -2.007 -3.897 -11.741 1.00 70.14 H new ATOM 0 HD2 LYS A 39 -2.290 -2.435 -14.418 1.00 15.24 H new ATOM 0 HD3 LYS A 39 -2.712 -4.113 -14.134 1.00 15.24 H new ATOM 0 HE2 LYS A 39 -4.386 -3.314 -12.380 1.00 5.23 H new ATOM 0 HE3 LYS A 39 -4.040 -1.669 -12.876 1.00 5.23 H new ATOM 0 HZ1 LYS A 39 -5.382 -1.876 -14.612 1.00 24.13 H new ATOM 0 HZ2 LYS A 39 -4.630 -3.306 -15.135 1.00 24.13 H new ATOM 0 HZ3 LYS A 39 -5.883 -3.375 -13.991 1.00 24.13 H new ATOM 620 N VAL A 40 -1.212 0.050 -9.215 1.00 4.12 N ATOM 621 CA VAL A 40 -1.156 1.365 -8.555 1.00 54.31 C ATOM 622 C VAL A 40 0.065 1.460 -7.622 1.00 11.23 C ATOM 623 O VAL A 40 0.796 2.441 -7.677 1.00 73.30 O ATOM 624 CB VAL A 40 -2.502 1.650 -7.766 1.00 10.53 C ATOM 625 CG1 VAL A 40 -2.359 2.777 -6.713 1.00 41.21 C ATOM 626 CG2 VAL A 40 -3.649 1.980 -8.757 1.00 45.53 C ATOM 0 H VAL A 40 -2.056 -0.478 -8.992 1.00 4.12 H new ATOM 0 HA VAL A 40 -1.046 2.130 -9.324 1.00 54.31 H new ATOM 0 HB VAL A 40 -2.744 0.739 -7.219 1.00 10.53 H new ATOM 0 HG11 VAL A 40 -3.313 2.925 -6.207 1.00 41.21 H new ATOM 0 HG12 VAL A 40 -1.600 2.498 -5.982 1.00 41.21 H new ATOM 0 HG13 VAL A 40 -2.063 3.702 -7.208 1.00 41.21 H new ATOM 0 HG21 VAL A 40 -4.566 2.173 -8.201 1.00 45.53 H new ATOM 0 HG22 VAL A 40 -3.385 2.863 -9.339 1.00 45.53 H new ATOM 0 HG23 VAL A 40 -3.803 1.136 -9.429 1.00 45.53 H new ATOM 636 N LEU A 41 0.282 0.417 -6.802 1.00 40.41 N ATOM 637 CA LEU A 41 1.367 0.381 -5.795 1.00 61.14 C ATOM 638 C LEU A 41 2.748 0.276 -6.454 1.00 35.00 C ATOM 639 O LEU A 41 3.728 0.786 -5.916 1.00 60.11 O ATOM 640 CB LEU A 41 1.152 -0.797 -4.815 1.00 5.45 C ATOM 641 CG LEU A 41 -0.137 -0.719 -3.950 1.00 5.13 C ATOM 642 CD1 LEU A 41 -0.287 -1.972 -3.078 1.00 64.12 C ATOM 643 CD2 LEU A 41 -0.168 0.573 -3.100 1.00 43.24 C ATOM 0 H LEU A 41 -0.289 -0.428 -6.816 1.00 40.41 H new ATOM 0 HA LEU A 41 1.334 1.319 -5.240 1.00 61.14 H new ATOM 0 HB2 LEU A 41 1.129 -1.724 -5.388 1.00 5.45 H new ATOM 0 HB3 LEU A 41 2.013 -0.855 -4.149 1.00 5.45 H new ATOM 0 HG LEU A 41 -0.992 -0.681 -4.625 1.00 5.13 H new ATOM 0 HD11 LEU A 41 -1.196 -1.894 -2.482 1.00 64.12 H new ATOM 0 HD12 LEU A 41 -0.346 -2.854 -3.716 1.00 64.12 H new ATOM 0 HD13 LEU A 41 0.574 -2.060 -2.416 1.00 64.12 H new ATOM 0 HD21 LEU A 41 -1.082 0.597 -2.507 1.00 43.24 H new ATOM 0 HD22 LEU A 41 0.696 0.592 -2.436 1.00 43.24 H new ATOM 0 HD23 LEU A 41 -0.140 1.442 -3.758 1.00 43.24 H new ATOM 655 N ASN A 42 2.803 -0.395 -7.618 1.00 50.03 N ATOM 656 CA ASN A 42 4.044 -0.557 -8.397 1.00 23.44 C ATOM 657 C ASN A 42 4.493 0.795 -9.007 1.00 62.33 C ATOM 658 O ASN A 42 5.689 1.107 -9.039 1.00 12.54 O ATOM 659 CB ASN A 42 3.839 -1.636 -9.499 1.00 3.42 C ATOM 660 CG ASN A 42 5.058 -1.817 -10.408 1.00 21.21 C ATOM 661 OD1 ASN A 42 5.973 -2.578 -10.099 1.00 12.22 O ATOM 662 ND2 ASN A 42 5.085 -1.107 -11.531 1.00 15.14 N ATOM 0 H ASN A 42 1.990 -0.840 -8.045 1.00 50.03 H new ATOM 0 HA ASN A 42 4.839 -0.893 -7.731 1.00 23.44 H new ATOM 0 HB2 ASN A 42 3.604 -2.589 -9.025 1.00 3.42 H new ATOM 0 HB3 ASN A 42 2.978 -1.363 -10.109 1.00 3.42 H new ATOM 0 HD21 ASN A 42 5.881 -1.185 -12.165 1.00 15.14 H new ATOM 0 HD22 ASN A 42 4.310 -0.484 -11.759 1.00 15.14 H new ATOM 669 N GLU A 43 3.520 1.588 -9.483 1.00 25.10 N ATOM 670 CA GLU A 43 3.783 2.919 -10.071 1.00 15.20 C ATOM 671 C GLU A 43 4.087 3.946 -8.959 1.00 72.13 C ATOM 672 O GLU A 43 5.004 4.756 -9.075 1.00 43.32 O ATOM 673 CB GLU A 43 2.563 3.383 -10.900 1.00 75.44 C ATOM 674 CG GLU A 43 2.825 4.651 -11.739 1.00 52.42 C ATOM 675 CD GLU A 43 1.555 5.244 -12.363 1.00 52.01 C ATOM 676 OE1 GLU A 43 0.780 5.891 -11.629 1.00 52.15 O ATOM 677 OE2 GLU A 43 1.326 5.069 -13.584 1.00 11.22 O ATOM 0 H GLU A 43 2.533 1.330 -9.473 1.00 25.10 H new ATOM 0 HA GLU A 43 4.651 2.846 -10.727 1.00 15.20 H new ATOM 0 HB2 GLU A 43 2.259 2.575 -11.565 1.00 75.44 H new ATOM 0 HB3 GLU A 43 1.728 3.571 -10.225 1.00 75.44 H new ATOM 0 HG2 GLU A 43 3.296 5.404 -11.107 1.00 52.42 H new ATOM 0 HG3 GLU A 43 3.533 4.412 -12.533 1.00 52.42 H new ATOM 684 N LEU A 44 3.281 3.870 -7.885 1.00 45.32 N ATOM 685 CA LEU A 44 3.368 4.745 -6.695 1.00 25.01 C ATOM 686 C LEU A 44 4.760 4.645 -6.049 1.00 1.23 C ATOM 687 O LEU A 44 5.353 5.651 -5.674 1.00 12.50 O ATOM 688 CB LEU A 44 2.270 4.321 -5.685 1.00 73.22 C ATOM 689 CG LEU A 44 2.129 5.172 -4.391 1.00 33.02 C ATOM 690 CD1 LEU A 44 1.798 6.636 -4.727 1.00 73.23 C ATOM 691 CD2 LEU A 44 1.076 4.561 -3.442 1.00 32.32 C ATOM 0 H LEU A 44 2.531 3.182 -7.816 1.00 45.32 H new ATOM 0 HA LEU A 44 3.214 5.782 -6.993 1.00 25.01 H new ATOM 0 HB2 LEU A 44 1.311 4.333 -6.203 1.00 73.22 H new ATOM 0 HB3 LEU A 44 2.461 3.289 -5.392 1.00 73.22 H new ATOM 0 HG LEU A 44 3.088 5.162 -3.873 1.00 33.02 H new ATOM 0 HD11 LEU A 44 1.705 7.209 -3.804 1.00 73.23 H new ATOM 0 HD12 LEU A 44 2.596 7.059 -5.338 1.00 73.23 H new ATOM 0 HD13 LEU A 44 0.858 6.679 -5.278 1.00 73.23 H new ATOM 0 HD21 LEU A 44 0.996 5.174 -2.544 1.00 32.32 H new ATOM 0 HD22 LEU A 44 0.110 4.526 -3.945 1.00 32.32 H new ATOM 0 HD23 LEU A 44 1.378 3.551 -3.166 1.00 32.32 H new ATOM 703 N LYS A 45 5.239 3.397 -5.957 1.00 3.33 N ATOM 704 CA LYS A 45 6.597 3.041 -5.509 1.00 71.03 C ATOM 705 C LYS A 45 7.672 3.851 -6.258 1.00 20.41 C ATOM 706 O LYS A 45 8.598 4.391 -5.649 1.00 42.32 O ATOM 707 CB LYS A 45 6.786 1.534 -5.781 1.00 10.23 C ATOM 708 CG LYS A 45 8.195 0.956 -5.536 1.00 50.41 C ATOM 709 CD LYS A 45 8.318 -0.483 -6.078 1.00 53.42 C ATOM 710 CE LYS A 45 8.064 -0.571 -7.599 1.00 14.51 C ATOM 711 NZ LYS A 45 8.130 -1.964 -8.119 1.00 55.44 N ATOM 0 H LYS A 45 4.677 2.581 -6.199 1.00 3.33 H new ATOM 0 HA LYS A 45 6.708 3.270 -4.449 1.00 71.03 H new ATOM 0 HB2 LYS A 45 6.080 0.985 -5.158 1.00 10.23 H new ATOM 0 HB3 LYS A 45 6.514 1.339 -6.818 1.00 10.23 H new ATOM 0 HG2 LYS A 45 8.939 1.592 -6.017 1.00 50.41 H new ATOM 0 HG3 LYS A 45 8.412 0.963 -4.468 1.00 50.41 H new ATOM 0 HD2 LYS A 45 9.314 -0.866 -5.857 1.00 53.42 H new ATOM 0 HD3 LYS A 45 7.607 -1.125 -5.557 1.00 53.42 H new ATOM 0 HE2 LYS A 45 7.083 -0.151 -7.823 1.00 14.51 H new ATOM 0 HE3 LYS A 45 8.800 0.041 -8.121 1.00 14.51 H new ATOM 0 HZ1 LYS A 45 7.391 -2.102 -8.838 1.00 55.44 H new ATOM 0 HZ2 LYS A 45 9.063 -2.131 -8.546 1.00 55.44 H new ATOM 0 HZ3 LYS A 45 7.982 -2.634 -7.337 1.00 55.44 H new ATOM 725 N ASP A 46 7.509 3.923 -7.590 1.00 21.02 N ATOM 726 CA ASP A 46 8.448 4.612 -8.486 1.00 14.21 C ATOM 727 C ASP A 46 8.466 6.131 -8.211 1.00 31.33 C ATOM 728 O ASP A 46 9.520 6.754 -8.325 1.00 13.35 O ATOM 729 CB ASP A 46 8.090 4.298 -9.965 1.00 51.43 C ATOM 730 CG ASP A 46 9.088 4.878 -10.984 1.00 75.11 C ATOM 731 OD1 ASP A 46 10.200 4.319 -11.121 1.00 60.20 O ATOM 732 OD2 ASP A 46 8.768 5.878 -11.658 1.00 41.22 O ATOM 0 H ASP A 46 6.717 3.502 -8.076 1.00 21.02 H new ATOM 0 HA ASP A 46 9.456 4.244 -8.293 1.00 14.21 H new ATOM 0 HB2 ASP A 46 8.040 3.217 -10.095 1.00 51.43 H new ATOM 0 HB3 ASP A 46 7.096 4.691 -10.180 1.00 51.43 H new ATOM 737 N TYR A 47 7.299 6.712 -7.827 1.00 14.34 N ATOM 738 CA TYR A 47 7.198 8.138 -7.429 1.00 65.40 C ATOM 739 C TYR A 47 7.958 8.406 -6.115 1.00 12.45 C ATOM 740 O TYR A 47 8.752 9.345 -6.038 1.00 61.23 O ATOM 741 CB TYR A 47 5.722 8.591 -7.263 1.00 5.43 C ATOM 742 CG TYR A 47 4.937 8.719 -8.575 1.00 31.51 C ATOM 743 CD1 TYR A 47 5.094 9.830 -9.404 1.00 45.50 C ATOM 744 CD2 TYR A 47 4.041 7.738 -8.972 1.00 55.41 C ATOM 745 CE1 TYR A 47 4.382 9.950 -10.582 1.00 64.05 C ATOM 746 CE2 TYR A 47 3.328 7.849 -10.141 1.00 43.32 C ATOM 747 CZ TYR A 47 3.496 8.953 -10.948 1.00 4.22 C ATOM 748 OH TYR A 47 2.789 9.052 -12.126 1.00 44.00 O ATOM 0 H TYR A 47 6.412 6.210 -7.785 1.00 14.34 H new ATOM 0 HA TYR A 47 7.652 8.715 -8.235 1.00 65.40 H new ATOM 0 HB2 TYR A 47 5.209 7.879 -6.617 1.00 5.43 H new ATOM 0 HB3 TYR A 47 5.707 9.554 -6.752 1.00 5.43 H new ATOM 0 HD1 TYR A 47 5.784 10.610 -9.120 1.00 45.50 H new ATOM 0 HD2 TYR A 47 3.901 6.867 -8.348 1.00 55.41 H new ATOM 0 HE1 TYR A 47 4.516 10.816 -11.213 1.00 64.05 H new ATOM 0 HE2 TYR A 47 2.636 7.071 -10.427 1.00 43.32 H new ATOM 0 HH TYR A 47 2.213 8.266 -12.229 1.00 44.00 H new ATOM 758 N ILE A 48 7.708 7.553 -5.098 1.00 43.13 N ATOM 759 CA ILE A 48 8.316 7.679 -3.749 1.00 44.24 C ATOM 760 C ILE A 48 9.860 7.636 -3.851 1.00 31.44 C ATOM 761 O ILE A 48 10.573 8.411 -3.196 1.00 63.51 O ATOM 762 CB ILE A 48 7.823 6.511 -2.806 1.00 75.02 C ATOM 763 CG1 ILE A 48 6.258 6.468 -2.721 1.00 4.11 C ATOM 764 CG2 ILE A 48 8.450 6.627 -1.397 1.00 1.11 C ATOM 765 CD1 ILE A 48 5.688 5.208 -2.069 1.00 41.42 C ATOM 0 H ILE A 48 7.078 6.755 -5.186 1.00 43.13 H new ATOM 0 HA ILE A 48 8.006 8.635 -3.326 1.00 44.24 H new ATOM 0 HB ILE A 48 8.158 5.572 -3.246 1.00 75.02 H new ATOM 0 HG12 ILE A 48 5.914 7.338 -2.161 1.00 4.11 H new ATOM 0 HG13 ILE A 48 5.850 6.556 -3.728 1.00 4.11 H new ATOM 0 HG21 ILE A 48 8.092 5.810 -0.771 1.00 1.11 H new ATOM 0 HG22 ILE A 48 9.536 6.574 -1.476 1.00 1.11 H new ATOM 0 HG23 ILE A 48 8.165 7.579 -0.949 1.00 1.11 H new ATOM 0 HD11 ILE A 48 4.600 5.267 -2.054 1.00 41.42 H new ATOM 0 HD12 ILE A 48 5.996 4.332 -2.639 1.00 41.42 H new ATOM 0 HD13 ILE A 48 6.061 5.126 -1.048 1.00 41.42 H new ATOM 777 N LYS A 49 10.334 6.720 -4.707 1.00 63.15 N ATOM 778 CA LYS A 49 11.764 6.506 -4.973 1.00 51.31 C ATOM 779 C LYS A 49 12.361 7.691 -5.756 1.00 63.24 C ATOM 780 O LYS A 49 13.533 8.045 -5.571 1.00 23.22 O ATOM 781 CB LYS A 49 11.930 5.189 -5.774 1.00 44.23 C ATOM 782 CG LYS A 49 13.386 4.699 -5.948 1.00 54.12 C ATOM 783 CD LYS A 49 13.483 3.397 -6.783 1.00 32.21 C ATOM 784 CE LYS A 49 12.678 2.226 -6.185 1.00 63.14 C ATOM 785 NZ LYS A 49 12.795 0.999 -7.014 1.00 25.30 N ATOM 0 H LYS A 49 9.727 6.098 -5.241 1.00 63.15 H new ATOM 0 HA LYS A 49 12.300 6.433 -4.027 1.00 51.31 H new ATOM 0 HB2 LYS A 49 11.358 4.406 -5.276 1.00 44.23 H new ATOM 0 HB3 LYS A 49 11.490 5.326 -6.762 1.00 44.23 H new ATOM 0 HG2 LYS A 49 13.973 5.480 -6.431 1.00 54.12 H new ATOM 0 HG3 LYS A 49 13.828 4.530 -4.966 1.00 54.12 H new ATOM 0 HD2 LYS A 49 13.126 3.595 -7.794 1.00 32.21 H new ATOM 0 HD3 LYS A 49 14.530 3.104 -6.866 1.00 32.21 H new ATOM 0 HE2 LYS A 49 13.033 2.018 -5.176 1.00 63.14 H new ATOM 0 HE3 LYS A 49 11.629 2.510 -6.102 1.00 63.14 H new ATOM 0 HZ1 LYS A 49 11.881 0.798 -7.467 1.00 25.30 H new ATOM 0 HZ2 LYS A 49 13.520 1.142 -7.746 1.00 25.30 H new ATOM 0 HZ3 LYS A 49 13.066 0.197 -6.410 1.00 25.30 H new ATOM 799 N LYS A 50 11.532 8.303 -6.627 1.00 50.22 N ATOM 800 CA LYS A 50 11.975 9.343 -7.571 1.00 3.31 C ATOM 801 C LYS A 50 12.219 10.676 -6.840 1.00 23.41 C ATOM 802 O LYS A 50 13.249 11.321 -7.059 1.00 21.31 O ATOM 803 CB LYS A 50 10.936 9.511 -8.720 1.00 30.44 C ATOM 804 CG LYS A 50 11.510 10.046 -10.051 1.00 32.50 C ATOM 805 CD LYS A 50 12.545 9.099 -10.704 1.00 71.53 C ATOM 806 CE LYS A 50 11.962 7.718 -11.065 1.00 43.35 C ATOM 807 NZ LYS A 50 10.797 7.816 -11.985 1.00 32.50 N ATOM 0 H LYS A 50 10.537 8.088 -6.693 1.00 50.22 H new ATOM 0 HA LYS A 50 12.921 9.030 -8.013 1.00 3.31 H new ATOM 0 HB2 LYS A 50 10.466 8.546 -8.907 1.00 30.44 H new ATOM 0 HB3 LYS A 50 10.151 10.188 -8.383 1.00 30.44 H new ATOM 0 HG2 LYS A 50 10.690 10.212 -10.750 1.00 32.50 H new ATOM 0 HG3 LYS A 50 11.978 11.014 -9.872 1.00 32.50 H new ATOM 0 HD2 LYS A 50 12.938 9.567 -11.606 1.00 71.53 H new ATOM 0 HD3 LYS A 50 13.385 8.965 -10.023 1.00 71.53 H new ATOM 0 HE2 LYS A 50 12.738 7.109 -11.530 1.00 43.35 H new ATOM 0 HE3 LYS A 50 11.658 7.205 -10.152 1.00 43.35 H new ATOM 0 HZ1 LYS A 50 9.987 7.308 -11.575 1.00 32.50 H new ATOM 0 HZ2 LYS A 50 10.546 8.816 -12.121 1.00 32.50 H new ATOM 0 HZ3 LYS A 50 11.043 7.393 -12.903 1.00 32.50 H new ATOM 821 N GLN A 51 11.270 11.080 -5.967 1.00 55.13 N ATOM 822 CA GLN A 51 11.437 12.260 -5.090 1.00 63.24 C ATOM 823 C GLN A 51 10.684 12.058 -3.755 1.00 61.32 C ATOM 824 O GLN A 51 9.602 11.448 -3.717 1.00 13.21 O ATOM 825 CB GLN A 51 11.013 13.591 -5.795 1.00 12.30 C ATOM 826 CG GLN A 51 9.497 13.913 -5.883 1.00 43.13 C ATOM 827 CD GLN A 51 8.692 12.993 -6.800 1.00 21.31 C ATOM 828 OE1 GLN A 51 8.571 13.239 -7.992 1.00 63.13 O ATOM 829 NE2 GLN A 51 8.086 11.965 -6.240 1.00 15.22 N ATOM 0 H GLN A 51 10.376 10.603 -5.851 1.00 55.13 H new ATOM 0 HA GLN A 51 12.500 12.355 -4.871 1.00 63.24 H new ATOM 0 HB2 GLN A 51 11.501 14.415 -5.275 1.00 12.30 H new ATOM 0 HB3 GLN A 51 11.411 13.574 -6.810 1.00 12.30 H new ATOM 0 HG2 GLN A 51 9.072 13.864 -4.880 1.00 43.13 H new ATOM 0 HG3 GLN A 51 9.379 14.940 -6.229 1.00 43.13 H new ATOM 0 HE21 GLN A 51 8.205 11.784 -5.243 1.00 15.22 H new ATOM 0 HE22 GLN A 51 7.498 11.351 -6.803 1.00 15.22 H new ATOM 838 N GLY A 52 11.280 12.568 -2.667 1.00 13.21 N ATOM 839 CA GLY A 52 10.727 12.447 -1.320 1.00 51.22 C ATOM 840 C GLY A 52 11.831 12.428 -0.278 1.00 44.32 C ATOM 841 O GLY A 52 12.484 11.397 -0.098 1.00 40.43 O ATOM 0 H GLY A 52 12.163 13.077 -2.702 1.00 13.21 H new ATOM 0 HA2 GLY A 52 10.052 13.280 -1.124 1.00 51.22 H new ATOM 0 HA3 GLY A 52 10.137 11.534 -1.246 1.00 51.22 H new ATOM 845 N CYS A 53 12.045 13.565 0.411 1.00 53.53 N ATOM 846 CA CYS A 53 13.085 13.708 1.459 1.00 73.44 C ATOM 847 C CYS A 53 12.566 13.174 2.820 1.00 71.14 C ATOM 848 O CYS A 53 12.811 13.761 3.883 1.00 60.54 O ATOM 849 CB CYS A 53 13.496 15.194 1.552 1.00 23.04 C ATOM 850 SG CYS A 53 14.054 15.902 -0.018 1.00 43.13 S ATOM 0 H CYS A 53 11.502 14.415 0.259 1.00 53.53 H new ATOM 0 HA CYS A 53 13.961 13.115 1.196 1.00 73.44 H new ATOM 0 HB2 CYS A 53 12.648 15.773 1.919 1.00 23.04 H new ATOM 0 HB3 CYS A 53 14.293 15.295 2.288 1.00 23.04 H new ATOM 0 HG CYS A 53 14.375 17.149 0.158 1.00 43.13 H new ATOM 856 N LYS A 54 11.895 12.014 2.758 1.00 50.54 N ATOM 857 CA LYS A 54 11.131 11.424 3.859 1.00 41.32 C ATOM 858 C LYS A 54 10.844 9.949 3.525 1.00 64.23 C ATOM 859 O LYS A 54 10.871 9.558 2.343 1.00 41.50 O ATOM 860 CB LYS A 54 9.797 12.227 4.054 1.00 24.43 C ATOM 861 CG LYS A 54 8.859 11.750 5.199 1.00 15.10 C ATOM 862 CD LYS A 54 9.524 11.801 6.597 1.00 64.22 C ATOM 863 CE LYS A 54 9.942 13.221 7.023 1.00 10.31 C ATOM 864 NZ LYS A 54 10.584 13.233 8.362 1.00 70.11 N ATOM 0 H LYS A 54 11.871 11.445 1.912 1.00 50.54 H new ATOM 0 HA LYS A 54 11.698 11.472 4.789 1.00 41.32 H new ATOM 0 HB2 LYS A 54 10.051 13.271 4.234 1.00 24.43 H new ATOM 0 HB3 LYS A 54 9.238 12.192 3.119 1.00 24.43 H new ATOM 0 HG2 LYS A 54 7.963 12.371 5.208 1.00 15.10 H new ATOM 0 HG3 LYS A 54 8.537 10.729 4.994 1.00 15.10 H new ATOM 0 HD2 LYS A 54 8.832 11.397 7.336 1.00 64.22 H new ATOM 0 HD3 LYS A 54 10.403 11.156 6.597 1.00 64.22 H new ATOM 0 HE2 LYS A 54 10.632 13.632 6.286 1.00 10.31 H new ATOM 0 HE3 LYS A 54 9.065 13.869 7.035 1.00 10.31 H new ATOM 0 HZ1 LYS A 54 10.850 14.207 8.611 1.00 70.11 H new ATOM 0 HZ2 LYS A 54 9.917 12.865 9.070 1.00 70.11 H new ATOM 0 HZ3 LYS A 54 11.435 12.636 8.344 1.00 70.11 H new ATOM 878 N ARG A 55 10.550 9.134 4.549 1.00 45.51 N ATOM 879 CA ARG A 55 10.078 7.759 4.366 1.00 11.42 C ATOM 880 C ARG A 55 8.546 7.801 4.361 1.00 33.02 C ATOM 881 O ARG A 55 7.933 8.322 5.304 1.00 2.22 O ATOM 882 CB ARG A 55 10.590 6.831 5.498 1.00 14.32 C ATOM 883 CG ARG A 55 10.168 5.342 5.376 1.00 1.31 C ATOM 884 CD ARG A 55 10.726 4.659 4.108 1.00 75.44 C ATOM 885 NE ARG A 55 12.203 4.750 4.029 1.00 35.20 N ATOM 886 CZ ARG A 55 13.075 3.825 4.482 1.00 54.40 C ATOM 887 NH1 ARG A 55 12.653 2.700 5.064 1.00 12.03 N ATOM 888 NH2 ARG A 55 14.373 4.039 4.356 1.00 1.23 N ATOM 0 H ARG A 55 10.634 9.413 5.527 1.00 45.51 H new ATOM 0 HA ARG A 55 10.460 7.355 3.429 1.00 11.42 H new ATOM 0 HB2 ARG A 55 11.679 6.882 5.523 1.00 14.32 H new ATOM 0 HB3 ARG A 55 10.231 7.217 6.452 1.00 14.32 H new ATOM 0 HG2 ARG A 55 10.513 4.799 6.256 1.00 1.31 H new ATOM 0 HG3 ARG A 55 9.080 5.278 5.368 1.00 1.31 H new ATOM 0 HD2 ARG A 55 10.427 3.611 4.100 1.00 75.44 H new ATOM 0 HD3 ARG A 55 10.287 5.122 3.224 1.00 75.44 H new ATOM 0 HE ARG A 55 12.595 5.585 3.594 1.00 35.20 H new ATOM 0 HH11 ARG A 55 11.654 2.526 5.173 1.00 12.03 H new ATOM 0 HH12 ARG A 55 13.330 2.014 5.399 1.00 12.03 H new ATOM 0 HH21 ARG A 55 14.708 4.898 3.919 1.00 1.23 H new ATOM 0 HH22 ARG A 55 15.040 3.346 4.695 1.00 1.23 H new ATOM 902 N SER A 56 7.959 7.286 3.280 1.00 51.21 N ATOM 903 CA SER A 56 6.524 7.360 3.011 1.00 64.11 C ATOM 904 C SER A 56 5.699 6.496 3.976 1.00 74.14 C ATOM 905 O SER A 56 6.206 5.517 4.546 1.00 32.12 O ATOM 906 CB SER A 56 6.262 6.925 1.558 1.00 40.22 C ATOM 907 OG SER A 56 6.706 5.597 1.326 1.00 55.33 O ATOM 0 H SER A 56 8.479 6.796 2.552 1.00 51.21 H new ATOM 0 HA SER A 56 6.208 8.392 3.163 1.00 64.11 H new ATOM 0 HB2 SER A 56 5.196 6.997 1.342 1.00 40.22 H new ATOM 0 HB3 SER A 56 6.772 7.605 0.876 1.00 40.22 H new ATOM 0 HG SER A 56 6.127 4.970 1.808 1.00 55.33 H new ATOM 913 N ARG A 57 4.435 6.881 4.164 1.00 61.31 N ATOM 914 CA ARG A 57 3.433 6.067 4.859 1.00 44.42 C ATOM 915 C ARG A 57 2.346 5.676 3.860 1.00 14.40 C ATOM 916 O ARG A 57 1.571 6.537 3.442 1.00 41.54 O ATOM 917 CB ARG A 57 2.813 6.874 6.025 1.00 21.11 C ATOM 918 CG ARG A 57 1.813 6.079 6.890 1.00 5.43 C ATOM 919 CD ARG A 57 1.206 6.918 8.025 1.00 74.42 C ATOM 920 NE ARG A 57 0.301 7.963 7.517 1.00 72.52 N ATOM 921 CZ ARG A 57 0.131 9.174 8.063 1.00 73.31 C ATOM 922 NH1 ARG A 57 0.810 9.547 9.143 1.00 23.22 N ATOM 923 NH2 ARG A 57 -0.751 10.000 7.534 1.00 11.43 N ATOM 0 H ARG A 57 4.073 7.776 3.835 1.00 61.31 H new ATOM 0 HA ARG A 57 3.901 5.172 5.268 1.00 44.42 H new ATOM 0 HB2 ARG A 57 3.616 7.241 6.664 1.00 21.11 H new ATOM 0 HB3 ARG A 57 2.306 7.748 5.616 1.00 21.11 H new ATOM 0 HG2 ARG A 57 1.011 5.701 6.255 1.00 5.43 H new ATOM 0 HG3 ARG A 57 2.318 5.212 7.316 1.00 5.43 H new ATOM 0 HD2 ARG A 57 0.660 6.265 8.706 1.00 74.42 H new ATOM 0 HD3 ARG A 57 2.007 7.381 8.601 1.00 74.42 H new ATOM 0 HE ARG A 57 -0.241 7.747 6.680 1.00 72.52 H new ATOM 0 HH11 ARG A 57 1.477 8.906 9.573 1.00 23.22 H new ATOM 0 HH12 ARG A 57 0.664 10.474 9.542 1.00 23.22 H new ATOM 0 HH21 ARG A 57 -1.293 9.713 6.719 1.00 11.43 H new ATOM 0 HH22 ARG A 57 -0.891 10.925 7.940 1.00 11.43 H new ATOM 937 N THR A 58 2.290 4.396 3.459 1.00 30.34 N ATOM 938 CA THR A 58 1.221 3.896 2.579 1.00 74.54 C ATOM 939 C THR A 58 0.212 3.131 3.435 1.00 11.55 C ATOM 940 O THR A 58 0.504 2.044 3.942 1.00 2.43 O ATOM 941 CB THR A 58 1.767 2.985 1.428 1.00 32.14 C ATOM 942 OG1 THR A 58 2.834 3.656 0.739 1.00 72.53 O ATOM 943 CG2 THR A 58 0.669 2.631 0.401 1.00 33.50 C ATOM 0 H THR A 58 2.973 3.688 3.730 1.00 30.34 H new ATOM 0 HA THR A 58 0.745 4.748 2.094 1.00 74.54 H new ATOM 0 HB THR A 58 2.123 2.063 1.889 1.00 32.14 H new ATOM 0 HG1 THR A 58 3.619 3.709 1.324 1.00 72.53 H new ATOM 0 HG21 THR A 58 1.091 1.998 -0.380 1.00 33.50 H new ATOM 0 HG22 THR A 58 -0.140 2.099 0.902 1.00 33.50 H new ATOM 0 HG23 THR A 58 0.279 3.546 -0.045 1.00 33.50 H new ATOM 951 N SER A 59 -0.956 3.739 3.623 1.00 23.52 N ATOM 952 CA SER A 59 -2.070 3.152 4.354 1.00 74.25 C ATOM 953 C SER A 59 -3.173 2.755 3.358 1.00 21.31 C ATOM 954 O SER A 59 -3.718 3.605 2.656 1.00 2.01 O ATOM 955 CB SER A 59 -2.574 4.167 5.405 1.00 20.22 C ATOM 956 OG SER A 59 -2.856 5.434 4.835 1.00 11.53 O ATOM 0 H SER A 59 -1.156 4.672 3.263 1.00 23.52 H new ATOM 0 HA SER A 59 -1.758 2.251 4.882 1.00 74.25 H new ATOM 0 HB2 SER A 59 -3.473 3.777 5.882 1.00 20.22 H new ATOM 0 HB3 SER A 59 -1.823 4.281 6.186 1.00 20.22 H new ATOM 0 HG SER A 59 -3.173 6.044 5.534 1.00 11.53 H new ATOM 962 N ILE A 60 -3.480 1.459 3.314 1.00 41.35 N ATOM 963 CA ILE A 60 -4.479 0.878 2.409 1.00 15.41 C ATOM 964 C ILE A 60 -5.680 0.387 3.227 1.00 4.42 C ATOM 965 O ILE A 60 -5.501 -0.153 4.314 1.00 3.13 O ATOM 966 CB ILE A 60 -3.853 -0.311 1.593 1.00 71.12 C ATOM 967 CG1 ILE A 60 -2.687 0.187 0.690 1.00 74.21 C ATOM 968 CG2 ILE A 60 -4.917 -1.051 0.755 1.00 52.22 C ATOM 969 CD1 ILE A 60 -2.040 -0.905 -0.136 1.00 43.30 C ATOM 0 H ILE A 60 -3.034 0.768 3.917 1.00 41.35 H new ATOM 0 HA ILE A 60 -4.810 1.640 1.703 1.00 15.41 H new ATOM 0 HB ILE A 60 -3.449 -1.023 2.313 1.00 71.12 H new ATOM 0 HG12 ILE A 60 -3.064 0.960 0.020 1.00 74.21 H new ATOM 0 HG13 ILE A 60 -1.927 0.652 1.318 1.00 74.21 H new ATOM 0 HG21 ILE A 60 -4.445 -1.866 0.206 1.00 52.22 H new ATOM 0 HG22 ILE A 60 -5.684 -1.455 1.416 1.00 52.22 H new ATOM 0 HG23 ILE A 60 -5.374 -0.356 0.051 1.00 52.22 H new ATOM 0 HD11 ILE A 60 -1.237 -0.479 -0.738 1.00 43.30 H new ATOM 0 HD12 ILE A 60 -1.631 -1.668 0.526 1.00 43.30 H new ATOM 0 HD13 ILE A 60 -2.785 -1.355 -0.792 1.00 43.30 H new ATOM 981 N THR A 61 -6.894 0.580 2.697 1.00 34.20 N ATOM 982 CA THR A 61 -8.135 0.146 3.342 1.00 51.33 C ATOM 983 C THR A 61 -8.206 -1.403 3.439 1.00 42.22 C ATOM 984 O THR A 61 -8.308 -2.088 2.415 1.00 51.35 O ATOM 985 CB THR A 61 -9.358 0.691 2.546 1.00 45.24 C ATOM 986 OG1 THR A 61 -9.285 2.126 2.430 1.00 71.41 O ATOM 987 CG2 THR A 61 -10.684 0.305 3.201 1.00 74.24 C ATOM 0 H THR A 61 -7.042 1.046 1.802 1.00 34.20 H new ATOM 0 HA THR A 61 -8.154 0.546 4.356 1.00 51.33 H new ATOM 0 HB THR A 61 -9.321 0.238 1.555 1.00 45.24 H new ATOM 0 HG1 THR A 61 -8.472 2.374 1.941 1.00 71.41 H new ATOM 0 HG21 THR A 61 -11.510 0.705 2.613 1.00 74.24 H new ATOM 0 HG22 THR A 61 -10.764 -0.781 3.247 1.00 74.24 H new ATOM 0 HG23 THR A 61 -10.724 0.715 4.210 1.00 74.24 H new ATOM 995 N ALA A 62 -8.155 -1.935 4.678 1.00 20.02 N ATOM 996 CA ALA A 62 -8.223 -3.379 4.957 1.00 72.43 C ATOM 997 C ALA A 62 -9.071 -3.627 6.213 1.00 11.53 C ATOM 998 O ALA A 62 -8.571 -3.516 7.343 1.00 63.04 O ATOM 999 CB ALA A 62 -6.808 -3.955 5.122 1.00 54.04 C ATOM 0 H ALA A 62 -8.065 -1.366 5.519 1.00 20.02 H new ATOM 0 HA ALA A 62 -8.697 -3.887 4.117 1.00 72.43 H new ATOM 0 HB1 ALA A 62 -6.872 -5.023 5.328 1.00 54.04 H new ATOM 0 HB2 ALA A 62 -6.241 -3.795 4.205 1.00 54.04 H new ATOM 0 HB3 ALA A 62 -6.306 -3.455 5.950 1.00 54.04 H new ATOM 1005 N ARG A 63 -10.362 -3.927 6.002 1.00 20.33 N ATOM 1006 CA ARG A 63 -11.326 -4.187 7.094 1.00 10.43 C ATOM 1007 C ARG A 63 -11.205 -5.639 7.573 1.00 45.14 C ATOM 1008 O ARG A 63 -11.160 -5.892 8.783 1.00 4.23 O ATOM 1009 CB ARG A 63 -12.812 -3.846 6.690 1.00 61.41 C ATOM 1010 CG ARG A 63 -13.201 -4.091 5.204 1.00 1.31 C ATOM 1011 CD ARG A 63 -12.903 -2.864 4.288 1.00 5.23 C ATOM 1012 NE ARG A 63 -12.229 -3.238 3.026 1.00 73.21 N ATOM 1013 CZ ARG A 63 -12.281 -2.543 1.880 1.00 63.31 C ATOM 1014 NH1 ARG A 63 -13.014 -1.433 1.788 1.00 3.42 N ATOM 1015 NH2 ARG A 63 -11.540 -2.916 0.845 1.00 20.34 N ATOM 0 H ARG A 63 -10.772 -3.997 5.071 1.00 20.33 H new ATOM 0 HA ARG A 63 -11.071 -3.518 7.916 1.00 10.43 H new ATOM 0 HB2 ARG A 63 -13.480 -4.434 7.319 1.00 61.41 H new ATOM 0 HB3 ARG A 63 -12.997 -2.797 6.923 1.00 61.41 H new ATOM 0 HG2 ARG A 63 -12.657 -4.958 4.830 1.00 1.31 H new ATOM 0 HG3 ARG A 63 -14.263 -4.332 5.147 1.00 1.31 H new ATOM 0 HD2 ARG A 63 -13.838 -2.354 4.057 1.00 5.23 H new ATOM 0 HD3 ARG A 63 -12.279 -2.155 4.831 1.00 5.23 H new ATOM 0 HE ARG A 63 -11.678 -4.097 3.027 1.00 73.21 H new ATOM 0 HH11 ARG A 63 -13.544 -1.103 2.595 1.00 3.42 H new ATOM 0 HH12 ARG A 63 -13.045 -0.914 0.911 1.00 3.42 H new ATOM 0 HH21 ARG A 63 -10.931 -3.731 0.921 1.00 20.34 H new ATOM 0 HH22 ARG A 63 -11.579 -2.388 -0.027 1.00 20.34 H new ATOM 1029 N THR A 64 -11.140 -6.587 6.620 1.00 34.11 N ATOM 1030 CA THR A 64 -11.035 -8.026 6.934 1.00 10.04 C ATOM 1031 C THR A 64 -9.558 -8.426 7.130 1.00 55.05 C ATOM 1032 O THR A 64 -8.647 -7.731 6.640 1.00 45.14 O ATOM 1033 CB THR A 64 -11.696 -8.924 5.828 1.00 42.21 C ATOM 1034 OG1 THR A 64 -10.916 -8.909 4.629 1.00 31.03 O ATOM 1035 CG2 THR A 64 -13.130 -8.470 5.496 1.00 42.43 C ATOM 0 H THR A 64 -11.158 -6.382 5.621 1.00 34.11 H new ATOM 0 HA THR A 64 -11.582 -8.195 7.862 1.00 10.04 H new ATOM 0 HB THR A 64 -11.737 -9.936 6.231 1.00 42.21 H new ATOM 0 HG1 THR A 64 -11.344 -9.475 3.953 1.00 31.03 H new ATOM 0 HG21 THR A 64 -13.548 -9.119 4.727 1.00 42.43 H new ATOM 0 HG22 THR A 64 -13.747 -8.527 6.393 1.00 42.43 H new ATOM 0 HG23 THR A 64 -13.111 -7.442 5.133 1.00 42.43 H new ATOM 1043 N LYS A 65 -9.332 -9.550 7.835 1.00 51.31 N ATOM 1044 CA LYS A 65 -7.979 -10.029 8.166 1.00 31.02 C ATOM 1045 C LYS A 65 -7.238 -10.532 6.910 1.00 22.25 C ATOM 1046 O LYS A 65 -6.020 -10.392 6.834 1.00 5.04 O ATOM 1047 CB LYS A 65 -8.041 -11.126 9.266 1.00 33.03 C ATOM 1048 CG LYS A 65 -8.805 -12.415 8.873 1.00 34.34 C ATOM 1049 CD LYS A 65 -8.900 -13.440 10.030 1.00 74.54 C ATOM 1050 CE LYS A 65 -9.687 -12.909 11.243 1.00 63.11 C ATOM 1051 NZ LYS A 65 -9.783 -13.920 12.334 1.00 25.22 N ATOM 0 H LYS A 65 -10.078 -10.148 8.189 1.00 51.31 H new ATOM 0 HA LYS A 65 -7.410 -9.188 8.561 1.00 31.02 H new ATOM 0 HB2 LYS A 65 -7.022 -11.397 9.543 1.00 33.03 H new ATOM 0 HB3 LYS A 65 -8.510 -10.701 10.153 1.00 33.03 H new ATOM 0 HG2 LYS A 65 -9.811 -12.149 8.547 1.00 34.34 H new ATOM 0 HG3 LYS A 65 -8.307 -12.881 8.023 1.00 34.34 H new ATOM 0 HD2 LYS A 65 -9.377 -14.349 9.664 1.00 74.54 H new ATOM 0 HD3 LYS A 65 -7.894 -13.714 10.348 1.00 74.54 H new ATOM 0 HE2 LYS A 65 -9.202 -12.010 11.624 1.00 63.11 H new ATOM 0 HE3 LYS A 65 -10.690 -12.621 10.927 1.00 63.11 H new ATOM 0 HZ1 LYS A 65 -10.320 -13.521 13.130 1.00 25.22 H new ATOM 0 HZ2 LYS A 65 -10.268 -14.769 11.979 1.00 25.22 H new ATOM 0 HZ3 LYS A 65 -8.828 -14.176 12.655 1.00 25.22 H new ATOM 1065 N LYS A 66 -7.987 -11.094 5.922 1.00 31.11 N ATOM 1066 CA LYS A 66 -7.408 -11.528 4.626 1.00 31.24 C ATOM 1067 C LYS A 66 -6.789 -10.338 3.894 1.00 11.31 C ATOM 1068 O LYS A 66 -5.659 -10.426 3.415 1.00 71.14 O ATOM 1069 CB LYS A 66 -8.471 -12.220 3.712 1.00 54.11 C ATOM 1070 CG LYS A 66 -8.858 -13.653 4.137 1.00 35.32 C ATOM 1071 CD LYS A 66 -7.644 -14.619 4.153 1.00 44.41 C ATOM 1072 CE LYS A 66 -8.035 -16.056 4.519 1.00 1.02 C ATOM 1073 NZ LYS A 66 -6.846 -16.941 4.641 1.00 13.34 N ATOM 0 H LYS A 66 -8.991 -11.256 6.001 1.00 31.11 H new ATOM 0 HA LYS A 66 -6.633 -12.261 4.848 1.00 31.24 H new ATOM 0 HB2 LYS A 66 -9.371 -11.605 3.697 1.00 54.11 H new ATOM 0 HB3 LYS A 66 -8.088 -12.250 2.692 1.00 54.11 H new ATOM 0 HG2 LYS A 66 -9.308 -13.625 5.129 1.00 35.32 H new ATOM 0 HG3 LYS A 66 -9.615 -14.038 3.454 1.00 35.32 H new ATOM 0 HD2 LYS A 66 -7.169 -14.615 3.172 1.00 44.41 H new ATOM 0 HD3 LYS A 66 -6.905 -14.255 4.867 1.00 44.41 H new ATOM 0 HE2 LYS A 66 -8.584 -16.054 5.461 1.00 1.02 H new ATOM 0 HE3 LYS A 66 -8.707 -16.454 3.759 1.00 1.02 H new ATOM 0 HZ1 LYS A 66 -7.153 -17.903 4.889 1.00 13.34 H new ATOM 0 HZ2 LYS A 66 -6.336 -16.964 3.735 1.00 13.34 H new ATOM 0 HZ3 LYS A 66 -6.216 -16.576 5.384 1.00 13.34 H new ATOM 1087 N GLU A 67 -7.552 -9.226 3.841 1.00 74.42 N ATOM 1088 CA GLU A 67 -7.104 -7.964 3.226 1.00 40.25 C ATOM 1089 C GLU A 67 -5.864 -7.407 3.947 1.00 13.42 C ATOM 1090 O GLU A 67 -4.927 -6.939 3.302 1.00 64.10 O ATOM 1091 CB GLU A 67 -8.247 -6.927 3.232 1.00 23.35 C ATOM 1092 CG GLU A 67 -9.442 -7.294 2.334 1.00 40.15 C ATOM 1093 CD GLU A 67 -10.570 -6.258 2.411 1.00 53.44 C ATOM 1094 OE1 GLU A 67 -11.119 -6.061 3.518 1.00 64.22 O ATOM 1095 OE2 GLU A 67 -10.917 -5.650 1.380 1.00 1.40 O ATOM 0 H GLU A 67 -8.496 -9.180 4.224 1.00 74.42 H new ATOM 0 HA GLU A 67 -6.827 -8.170 2.192 1.00 40.25 H new ATOM 0 HB2 GLU A 67 -8.602 -6.801 4.255 1.00 23.35 H new ATOM 0 HB3 GLU A 67 -7.849 -5.964 2.912 1.00 23.35 H new ATOM 0 HG2 GLU A 67 -9.104 -7.383 1.302 1.00 40.15 H new ATOM 0 HG3 GLU A 67 -9.828 -8.270 2.628 1.00 40.15 H new ATOM 1102 N ALA A 68 -5.864 -7.499 5.290 1.00 24.32 N ATOM 1103 CA ALA A 68 -4.748 -7.033 6.130 1.00 63.22 C ATOM 1104 C ALA A 68 -3.446 -7.801 5.823 1.00 4.44 C ATOM 1105 O ALA A 68 -2.363 -7.223 5.870 1.00 4.12 O ATOM 1106 CB ALA A 68 -5.121 -7.147 7.620 1.00 4.31 C ATOM 0 H ALA A 68 -6.638 -7.898 5.822 1.00 24.32 H new ATOM 0 HA ALA A 68 -4.564 -5.984 5.896 1.00 63.22 H new ATOM 0 HB1 ALA A 68 -4.288 -6.800 8.231 1.00 4.31 H new ATOM 0 HB2 ALA A 68 -6.000 -6.535 7.823 1.00 4.31 H new ATOM 0 HB3 ALA A 68 -5.339 -8.187 7.862 1.00 4.31 H new ATOM 1112 N GLU A 69 -3.571 -9.099 5.493 1.00 52.21 N ATOM 1113 CA GLU A 69 -2.423 -9.974 5.182 1.00 35.25 C ATOM 1114 C GLU A 69 -1.864 -9.702 3.767 1.00 4.41 C ATOM 1115 O GLU A 69 -0.659 -9.469 3.604 1.00 11.34 O ATOM 1116 CB GLU A 69 -2.837 -11.466 5.318 1.00 11.30 C ATOM 1117 CG GLU A 69 -3.262 -11.901 6.742 1.00 74.41 C ATOM 1118 CD GLU A 69 -2.141 -11.780 7.793 1.00 74.11 C ATOM 1119 OE1 GLU A 69 -1.965 -10.690 8.386 1.00 0.31 O ATOM 1120 OE2 GLU A 69 -1.416 -12.771 8.026 1.00 14.30 O ATOM 0 H GLU A 69 -4.472 -9.573 5.434 1.00 52.21 H new ATOM 0 HA GLU A 69 -1.632 -9.752 5.898 1.00 35.25 H new ATOM 0 HB2 GLU A 69 -3.662 -11.662 4.633 1.00 11.30 H new ATOM 0 HB3 GLU A 69 -2.002 -12.090 4.998 1.00 11.30 H new ATOM 0 HG2 GLU A 69 -4.110 -11.294 7.059 1.00 74.41 H new ATOM 0 HG3 GLU A 69 -3.605 -12.935 6.708 1.00 74.41 H new ATOM 1127 N LYS A 70 -2.760 -9.732 2.760 1.00 74.45 N ATOM 1128 CA LYS A 70 -2.376 -9.664 1.329 1.00 10.33 C ATOM 1129 C LYS A 70 -1.872 -8.257 0.923 1.00 2.13 C ATOM 1130 O LYS A 70 -0.913 -8.150 0.158 1.00 32.45 O ATOM 1131 CB LYS A 70 -3.558 -10.118 0.418 1.00 15.11 C ATOM 1132 CG LYS A 70 -4.858 -9.298 0.578 1.00 61.23 C ATOM 1133 CD LYS A 70 -6.060 -9.787 -0.284 1.00 23.41 C ATOM 1134 CE LYS A 70 -5.942 -9.447 -1.791 1.00 33.12 C ATOM 1135 NZ LYS A 70 -4.930 -10.277 -2.501 1.00 3.24 N ATOM 0 H LYS A 70 -3.766 -9.804 2.911 1.00 74.45 H new ATOM 0 HA LYS A 70 -1.543 -10.353 1.186 1.00 10.33 H new ATOM 0 HB2 LYS A 70 -3.237 -10.063 -0.622 1.00 15.11 H new ATOM 0 HB3 LYS A 70 -3.778 -11.165 0.629 1.00 15.11 H new ATOM 0 HG2 LYS A 70 -5.153 -9.315 1.627 1.00 61.23 H new ATOM 0 HG3 LYS A 70 -4.647 -8.259 0.323 1.00 61.23 H new ATOM 0 HD2 LYS A 70 -6.156 -10.867 -0.173 1.00 23.41 H new ATOM 0 HD3 LYS A 70 -6.976 -9.344 0.106 1.00 23.41 H new ATOM 0 HE2 LYS A 70 -6.914 -9.585 -2.265 1.00 33.12 H new ATOM 0 HE3 LYS A 70 -5.681 -8.394 -1.900 1.00 33.12 H new ATOM 0 HZ1 LYS A 70 -5.343 -10.653 -3.379 1.00 3.24 H new ATOM 0 HZ2 LYS A 70 -4.101 -9.692 -2.731 1.00 3.24 H new ATOM 0 HZ3 LYS A 70 -4.638 -11.067 -1.890 1.00 3.24 H new ATOM 1149 N PHE A 71 -2.521 -7.190 1.444 1.00 34.53 N ATOM 1150 CA PHE A 71 -2.148 -5.792 1.116 1.00 32.12 C ATOM 1151 C PHE A 71 -0.815 -5.429 1.785 1.00 31.14 C ATOM 1152 O PHE A 71 0.022 -4.747 1.183 1.00 13.04 O ATOM 1153 CB PHE A 71 -3.258 -4.782 1.538 1.00 11.32 C ATOM 1154 CG PHE A 71 -4.646 -4.981 0.903 1.00 34.11 C ATOM 1155 CD1 PHE A 71 -4.843 -5.787 -0.219 1.00 20.15 C ATOM 1156 CD2 PHE A 71 -5.770 -4.352 1.448 1.00 14.25 C ATOM 1157 CE1 PHE A 71 -6.099 -5.949 -0.769 1.00 31.42 C ATOM 1158 CE2 PHE A 71 -7.021 -4.518 0.892 1.00 21.43 C ATOM 1159 CZ PHE A 71 -7.185 -5.318 -0.211 1.00 51.41 C ATOM 0 H PHE A 71 -3.304 -7.269 2.092 1.00 34.53 H new ATOM 0 HA PHE A 71 -2.037 -5.724 0.034 1.00 32.12 H new ATOM 0 HB2 PHE A 71 -3.369 -4.830 2.621 1.00 11.32 H new ATOM 0 HB3 PHE A 71 -2.914 -3.776 1.297 1.00 11.32 H new ATOM 0 HD1 PHE A 71 -3.999 -6.292 -0.665 1.00 20.15 H new ATOM 0 HD2 PHE A 71 -5.656 -3.725 2.320 1.00 14.25 H new ATOM 0 HE1 PHE A 71 -6.229 -6.574 -1.641 1.00 31.42 H new ATOM 0 HE2 PHE A 71 -7.874 -4.017 1.326 1.00 21.43 H new ATOM 0 HZ PHE A 71 -8.167 -5.452 -0.640 1.00 51.41 H new ATOM 1169 N ALA A 72 -0.630 -5.910 3.037 1.00 75.43 N ATOM 1170 CA ALA A 72 0.624 -5.727 3.786 1.00 41.03 C ATOM 1171 C ALA A 72 1.790 -6.386 3.044 1.00 13.41 C ATOM 1172 O ALA A 72 2.838 -5.773 2.899 1.00 61.22 O ATOM 1173 CB ALA A 72 0.509 -6.297 5.208 1.00 74.45 C ATOM 0 H ALA A 72 -1.343 -6.431 3.548 1.00 75.43 H new ATOM 0 HA ALA A 72 0.815 -4.657 3.864 1.00 41.03 H new ATOM 0 HB1 ALA A 72 1.450 -6.147 5.737 1.00 74.45 H new ATOM 0 HB2 ALA A 72 -0.292 -5.786 5.741 1.00 74.45 H new ATOM 0 HB3 ALA A 72 0.288 -7.363 5.156 1.00 74.45 H new ATOM 1179 N ALA A 73 1.563 -7.629 2.554 1.00 13.53 N ATOM 1180 CA ALA A 73 2.572 -8.407 1.808 1.00 43.04 C ATOM 1181 C ALA A 73 3.138 -7.594 0.632 1.00 20.43 C ATOM 1182 O ALA A 73 4.363 -7.408 0.522 1.00 74.20 O ATOM 1183 CB ALA A 73 1.961 -9.733 1.309 1.00 1.42 C ATOM 0 H ALA A 73 0.674 -8.117 2.667 1.00 13.53 H new ATOM 0 HA ALA A 73 3.396 -8.634 2.484 1.00 43.04 H new ATOM 0 HB1 ALA A 73 2.715 -10.297 0.760 1.00 1.42 H new ATOM 0 HB2 ALA A 73 1.618 -10.319 2.162 1.00 1.42 H new ATOM 0 HB3 ALA A 73 1.118 -9.521 0.652 1.00 1.42 H new ATOM 1189 N ILE A 74 2.222 -7.068 -0.202 1.00 3.24 N ATOM 1190 CA ILE A 74 2.566 -6.249 -1.370 1.00 63.54 C ATOM 1191 C ILE A 74 3.396 -5.016 -0.940 1.00 25.41 C ATOM 1192 O ILE A 74 4.416 -4.722 -1.558 1.00 64.45 O ATOM 1193 CB ILE A 74 1.269 -5.792 -2.148 1.00 22.43 C ATOM 1194 CG1 ILE A 74 0.428 -7.031 -2.611 1.00 62.52 C ATOM 1195 CG2 ILE A 74 1.631 -4.896 -3.355 1.00 3.12 C ATOM 1196 CD1 ILE A 74 -0.904 -6.697 -3.287 1.00 71.41 C ATOM 0 H ILE A 74 1.218 -7.202 -0.080 1.00 3.24 H new ATOM 0 HA ILE A 74 3.167 -6.860 -2.043 1.00 63.54 H new ATOM 0 HB ILE A 74 0.659 -5.204 -1.462 1.00 22.43 H new ATOM 0 HG12 ILE A 74 1.030 -7.621 -3.302 1.00 62.52 H new ATOM 0 HG13 ILE A 74 0.229 -7.660 -1.743 1.00 62.52 H new ATOM 0 HG21 ILE A 74 0.719 -4.596 -3.872 1.00 3.12 H new ATOM 0 HG22 ILE A 74 2.158 -4.009 -3.004 1.00 3.12 H new ATOM 0 HG23 ILE A 74 2.271 -5.451 -4.041 1.00 3.12 H new ATOM 0 HD11 ILE A 74 -1.410 -7.620 -3.570 1.00 71.41 H new ATOM 0 HD12 ILE A 74 -1.532 -6.136 -2.595 1.00 71.41 H new ATOM 0 HD13 ILE A 74 -0.719 -6.097 -4.178 1.00 71.41 H new ATOM 1208 N LEU A 75 2.969 -4.355 0.159 1.00 31.40 N ATOM 1209 CA LEU A 75 3.639 -3.146 0.691 1.00 23.24 C ATOM 1210 C LEU A 75 5.032 -3.451 1.280 1.00 42.42 C ATOM 1211 O LEU A 75 5.894 -2.572 1.300 1.00 25.43 O ATOM 1212 CB LEU A 75 2.746 -2.440 1.750 1.00 55.13 C ATOM 1213 CG LEU A 75 1.435 -1.789 1.218 1.00 64.44 C ATOM 1214 CD1 LEU A 75 0.654 -1.098 2.359 1.00 23.31 C ATOM 1215 CD2 LEU A 75 1.733 -0.819 0.054 1.00 12.11 C ATOM 0 H LEU A 75 2.154 -4.643 0.701 1.00 31.40 H new ATOM 0 HA LEU A 75 3.788 -2.474 -0.154 1.00 23.24 H new ATOM 0 HB2 LEU A 75 2.481 -3.169 2.516 1.00 55.13 H new ATOM 0 HB3 LEU A 75 3.339 -1.667 2.238 1.00 55.13 H new ATOM 0 HG LEU A 75 0.797 -2.581 0.825 1.00 64.44 H new ATOM 0 HD11 LEU A 75 -0.257 -0.652 1.959 1.00 23.31 H new ATOM 0 HD12 LEU A 75 0.394 -1.834 3.120 1.00 23.31 H new ATOM 0 HD13 LEU A 75 1.273 -0.320 2.805 1.00 23.31 H new ATOM 0 HD21 LEU A 75 0.801 -0.378 -0.300 1.00 12.11 H new ATOM 0 HD22 LEU A 75 2.400 -0.029 0.400 1.00 12.11 H new ATOM 0 HD23 LEU A 75 2.208 -1.364 -0.761 1.00 12.11 H new ATOM 1227 N ILE A 76 5.245 -4.689 1.763 1.00 72.41 N ATOM 1228 CA ILE A 76 6.567 -5.147 2.230 1.00 11.05 C ATOM 1229 C ILE A 76 7.532 -5.193 1.034 1.00 53.52 C ATOM 1230 O ILE A 76 8.659 -4.702 1.132 1.00 53.43 O ATOM 1231 CB ILE A 76 6.476 -6.547 3.003 1.00 72.14 C ATOM 1232 CG1 ILE A 76 6.280 -6.339 4.545 1.00 13.30 C ATOM 1233 CG2 ILE A 76 7.700 -7.473 2.751 1.00 25.22 C ATOM 1234 CD1 ILE A 76 5.121 -5.452 4.951 1.00 31.34 C ATOM 0 H ILE A 76 4.513 -5.395 1.840 1.00 72.41 H new ATOM 0 HA ILE A 76 6.956 -4.438 2.961 1.00 11.05 H new ATOM 0 HB ILE A 76 5.600 -7.048 2.590 1.00 72.14 H new ATOM 0 HG12 ILE A 76 6.145 -7.316 5.009 1.00 13.30 H new ATOM 0 HG13 ILE A 76 7.197 -5.916 4.954 1.00 13.30 H new ATOM 0 HG21 ILE A 76 7.573 -8.403 3.305 1.00 25.22 H new ATOM 0 HG22 ILE A 76 7.777 -7.692 1.686 1.00 25.22 H new ATOM 0 HG23 ILE A 76 8.609 -6.973 3.086 1.00 25.22 H new ATOM 0 HD11 ILE A 76 5.082 -5.380 6.038 1.00 31.34 H new ATOM 0 HD12 ILE A 76 5.257 -4.458 4.526 1.00 31.34 H new ATOM 0 HD13 ILE A 76 4.189 -5.880 4.582 1.00 31.34 H new ATOM 1246 N LYS A 77 7.062 -5.754 -0.102 1.00 45.30 N ATOM 1247 CA LYS A 77 7.865 -5.805 -1.347 1.00 1.51 C ATOM 1248 C LYS A 77 8.059 -4.404 -1.973 1.00 43.42 C ATOM 1249 O LYS A 77 9.133 -4.121 -2.500 1.00 24.20 O ATOM 1250 CB LYS A 77 7.278 -6.821 -2.385 1.00 0.31 C ATOM 1251 CG LYS A 77 7.823 -8.271 -2.247 1.00 45.33 C ATOM 1252 CD LYS A 77 7.313 -9.028 -1.001 1.00 52.15 C ATOM 1253 CE LYS A 77 5.850 -9.483 -1.146 1.00 34.13 C ATOM 1254 NZ LYS A 77 5.649 -10.397 -2.311 1.00 42.44 N ATOM 0 H LYS A 77 6.137 -6.176 -0.184 1.00 45.30 H new ATOM 0 HA LYS A 77 8.852 -6.169 -1.063 1.00 1.51 H new ATOM 0 HB2 LYS A 77 6.193 -6.843 -2.280 1.00 0.31 H new ATOM 0 HB3 LYS A 77 7.494 -6.459 -3.390 1.00 0.31 H new ATOM 0 HG2 LYS A 77 7.548 -8.836 -3.138 1.00 45.33 H new ATOM 0 HG3 LYS A 77 8.912 -8.235 -2.215 1.00 45.33 H new ATOM 0 HD2 LYS A 77 7.945 -9.898 -0.825 1.00 52.15 H new ATOM 0 HD3 LYS A 77 7.405 -8.385 -0.126 1.00 52.15 H new ATOM 0 HE2 LYS A 77 5.538 -9.989 -0.233 1.00 34.13 H new ATOM 0 HE3 LYS A 77 5.210 -8.608 -1.260 1.00 34.13 H new ATOM 0 HZ1 LYS A 77 4.752 -10.911 -2.199 1.00 42.44 H new ATOM 0 HZ2 LYS A 77 5.621 -9.840 -3.189 1.00 42.44 H new ATOM 0 HZ3 LYS A 77 6.434 -11.078 -2.358 1.00 42.44 H new ATOM 1268 N VAL A 78 7.027 -3.534 -1.885 1.00 54.43 N ATOM 1269 CA VAL A 78 7.090 -2.138 -2.385 1.00 43.02 C ATOM 1270 C VAL A 78 8.215 -1.372 -1.661 1.00 40.12 C ATOM 1271 O VAL A 78 9.108 -0.812 -2.303 1.00 23.44 O ATOM 1272 CB VAL A 78 5.691 -1.398 -2.207 1.00 62.03 C ATOM 1273 CG1 VAL A 78 5.798 0.138 -2.388 1.00 20.35 C ATOM 1274 CG2 VAL A 78 4.635 -1.982 -3.183 1.00 62.25 C ATOM 0 H VAL A 78 6.129 -3.777 -1.467 1.00 54.43 H new ATOM 0 HA VAL A 78 7.312 -2.162 -3.452 1.00 43.02 H new ATOM 0 HB VAL A 78 5.371 -1.577 -1.180 1.00 62.03 H new ATOM 0 HG11 VAL A 78 4.815 0.589 -2.256 1.00 20.35 H new ATOM 0 HG12 VAL A 78 6.487 0.545 -1.647 1.00 20.35 H new ATOM 0 HG13 VAL A 78 6.168 0.362 -3.389 1.00 20.35 H new ATOM 0 HG21 VAL A 78 3.686 -1.463 -3.046 1.00 62.25 H new ATOM 0 HG22 VAL A 78 4.976 -1.849 -4.210 1.00 62.25 H new ATOM 0 HG23 VAL A 78 4.500 -3.044 -2.980 1.00 62.25 H new ATOM 1284 N TYR A 79 8.178 -1.426 -0.321 1.00 32.15 N ATOM 1285 CA TYR A 79 9.147 -0.744 0.557 1.00 30.22 C ATOM 1286 C TYR A 79 10.534 -1.412 0.523 1.00 22.10 C ATOM 1287 O TYR A 79 11.541 -0.746 0.784 1.00 54.24 O ATOM 1288 CB TYR A 79 8.595 -0.665 2.009 1.00 4.25 C ATOM 1289 CG TYR A 79 7.581 0.463 2.244 1.00 35.34 C ATOM 1290 CD1 TYR A 79 6.375 0.516 1.537 1.00 74.15 C ATOM 1291 CD2 TYR A 79 7.844 1.486 3.161 1.00 34.14 C ATOM 1292 CE1 TYR A 79 5.476 1.540 1.738 1.00 20.42 C ATOM 1293 CE2 TYR A 79 6.950 2.512 3.361 1.00 53.33 C ATOM 1294 CZ TYR A 79 5.769 2.533 2.649 1.00 41.32 C ATOM 1295 OH TYR A 79 4.885 3.560 2.840 1.00 61.34 O ATOM 0 H TYR A 79 7.468 -1.949 0.191 1.00 32.15 H new ATOM 0 HA TYR A 79 9.280 0.269 0.178 1.00 30.22 H new ATOM 0 HB2 TYR A 79 8.125 -1.616 2.258 1.00 4.25 H new ATOM 0 HB3 TYR A 79 9.431 -0.533 2.696 1.00 4.25 H new ATOM 0 HD1 TYR A 79 6.145 -0.259 0.821 1.00 74.15 H new ATOM 0 HD2 TYR A 79 8.766 1.470 3.723 1.00 34.14 H new ATOM 0 HE1 TYR A 79 4.548 1.565 1.186 1.00 20.42 H new ATOM 0 HE2 TYR A 79 7.171 3.296 4.071 1.00 53.33 H new ATOM 0 HH TYR A 79 5.079 4.004 3.692 1.00 61.34 H new ATOM 1305 N ALA A 80 10.582 -2.714 0.196 1.00 24.41 N ATOM 1306 CA ALA A 80 11.853 -3.452 0.036 1.00 63.45 C ATOM 1307 C ALA A 80 12.550 -3.065 -1.285 1.00 55.24 C ATOM 1308 O ALA A 80 13.777 -3.158 -1.398 1.00 61.20 O ATOM 1309 CB ALA A 80 11.613 -4.962 0.101 1.00 15.31 C ATOM 0 H ALA A 80 9.751 -3.283 0.036 1.00 24.41 H new ATOM 0 HA ALA A 80 12.512 -3.176 0.859 1.00 63.45 H new ATOM 0 HB1 ALA A 80 12.561 -5.487 -0.019 1.00 15.31 H new ATOM 0 HB2 ALA A 80 11.175 -5.220 1.065 1.00 15.31 H new ATOM 0 HB3 ALA A 80 10.932 -5.257 -0.697 1.00 15.31 H new ATOM 1315 N GLU A 81 11.747 -2.650 -2.282 1.00 74.24 N ATOM 1316 CA GLU A 81 12.255 -2.083 -3.547 1.00 22.21 C ATOM 1317 C GLU A 81 12.644 -0.606 -3.352 1.00 31.22 C ATOM 1318 O GLU A 81 13.458 -0.064 -4.106 1.00 21.44 O ATOM 1319 CB GLU A 81 11.196 -2.241 -4.662 1.00 1.15 C ATOM 1320 CG GLU A 81 10.923 -3.702 -5.054 1.00 15.23 C ATOM 1321 CD GLU A 81 9.821 -3.856 -6.109 1.00 64.10 C ATOM 1322 OE1 GLU A 81 8.627 -3.853 -5.742 1.00 3.21 O ATOM 1323 OE2 GLU A 81 10.144 -3.951 -7.315 1.00 51.22 O ATOM 0 H GLU A 81 10.729 -2.698 -2.235 1.00 74.24 H new ATOM 0 HA GLU A 81 13.149 -2.628 -3.849 1.00 22.21 H new ATOM 0 HB2 GLU A 81 10.264 -1.782 -4.333 1.00 1.15 H new ATOM 0 HB3 GLU A 81 11.526 -1.693 -5.545 1.00 1.15 H new ATOM 0 HG2 GLU A 81 11.843 -4.146 -5.434 1.00 15.23 H new ATOM 0 HG3 GLU A 81 10.643 -4.263 -4.162 1.00 15.23 H new ATOM 1330 N LEU A 82 12.036 0.038 -2.339 1.00 72.21 N ATOM 1331 CA LEU A 82 12.420 1.395 -1.892 1.00 11.44 C ATOM 1332 C LEU A 82 13.678 1.331 -0.992 1.00 24.02 C ATOM 1333 O LEU A 82 14.364 2.344 -0.805 1.00 63.35 O ATOM 1334 CB LEU A 82 11.236 2.064 -1.137 1.00 63.14 C ATOM 1335 CG LEU A 82 9.930 2.262 -1.971 1.00 11.34 C ATOM 1336 CD1 LEU A 82 8.769 2.805 -1.114 1.00 73.35 C ATOM 1337 CD2 LEU A 82 10.190 3.164 -3.187 1.00 5.55 C ATOM 0 H LEU A 82 11.265 -0.365 -1.806 1.00 72.21 H new ATOM 0 HA LEU A 82 12.658 2.000 -2.767 1.00 11.44 H new ATOM 0 HB2 LEU A 82 10.999 1.459 -0.262 1.00 63.14 H new ATOM 0 HB3 LEU A 82 11.564 3.037 -0.773 1.00 63.14 H new ATOM 0 HG LEU A 82 9.625 1.280 -2.331 1.00 11.34 H new ATOM 0 HD11 LEU A 82 7.883 2.926 -1.737 1.00 73.35 H new ATOM 0 HD12 LEU A 82 8.553 2.104 -0.308 1.00 73.35 H new ATOM 0 HD13 LEU A 82 9.050 3.769 -0.690 1.00 73.35 H new ATOM 0 HD21 LEU A 82 9.266 3.287 -3.753 1.00 5.55 H new ATOM 0 HD22 LEU A 82 10.541 4.139 -2.848 1.00 5.55 H new ATOM 0 HD23 LEU A 82 10.947 2.707 -3.824 1.00 5.55 H new ATOM 1349 N GLY A 83 13.952 0.138 -0.429 1.00 24.34 N ATOM 1350 CA GLY A 83 15.157 -0.110 0.363 1.00 5.50 C ATOM 1351 C GLY A 83 15.089 -1.453 1.082 1.00 50.03 C ATOM 1352 O GLY A 83 14.104 -1.714 1.780 1.00 74.45 O ATOM 0 H GLY A 83 13.341 -0.675 -0.514 1.00 24.34 H new ATOM 0 HA2 GLY A 83 16.031 -0.089 -0.287 1.00 5.50 H new ATOM 0 HA3 GLY A 83 15.284 0.689 1.094 1.00 5.50 H new ATOM 1403 N ILE A 87 10.682 -4.183 7.175 1.00 33.02 N ATOM 1404 CA ILE A 87 9.537 -3.283 6.927 1.00 43.54 C ATOM 1405 C ILE A 87 8.507 -3.399 8.075 1.00 34.44 C ATOM 1406 O ILE A 87 8.165 -4.510 8.488 1.00 34.13 O ATOM 1407 CB ILE A 87 8.858 -3.608 5.539 1.00 21.11 C ATOM 1408 CG1 ILE A 87 9.924 -3.690 4.386 1.00 42.32 C ATOM 1409 CG2 ILE A 87 7.751 -2.587 5.199 1.00 10.10 C ATOM 1410 CD1 ILE A 87 10.796 -2.456 4.210 1.00 74.52 C ATOM 0 HA ILE A 87 9.907 -2.258 6.891 1.00 43.54 H new ATOM 0 HB ILE A 87 8.388 -4.587 5.628 1.00 21.11 H new ATOM 0 HG12 ILE A 87 10.571 -4.547 4.574 1.00 42.32 H new ATOM 0 HG13 ILE A 87 9.404 -3.883 3.448 1.00 42.32 H new ATOM 0 HG21 ILE A 87 7.305 -2.841 4.237 1.00 10.10 H new ATOM 0 HG22 ILE A 87 6.984 -2.611 5.973 1.00 10.10 H new ATOM 0 HG23 ILE A 87 8.182 -1.587 5.147 1.00 10.10 H new ATOM 0 HD11 ILE A 87 11.495 -2.619 3.390 1.00 74.52 H new ATOM 0 HD12 ILE A 87 10.167 -1.595 3.985 1.00 74.52 H new ATOM 0 HD13 ILE A 87 11.352 -2.269 5.129 1.00 74.52 H new ATOM 1422 N ASN A 88 8.027 -2.251 8.594 1.00 44.14 N ATOM 1423 CA ASN A 88 7.070 -2.211 9.726 1.00 54.45 C ATOM 1424 C ASN A 88 5.620 -2.212 9.227 1.00 41.41 C ATOM 1425 O ASN A 88 5.265 -1.438 8.329 1.00 64.40 O ATOM 1426 CB ASN A 88 7.315 -0.964 10.608 1.00 50.04 C ATOM 1427 CG ASN A 88 6.372 -0.850 11.816 1.00 42.40 C ATOM 1428 OD1 ASN A 88 5.978 -1.846 12.421 1.00 60.50 O ATOM 1429 ND2 ASN A 88 5.998 0.368 12.167 1.00 74.15 N ATOM 0 H ASN A 88 8.288 -1.329 8.245 1.00 44.14 H new ATOM 0 HA ASN A 88 7.233 -3.108 10.324 1.00 54.45 H new ATOM 0 HB2 ASN A 88 8.344 -0.983 10.966 1.00 50.04 H new ATOM 0 HB3 ASN A 88 7.208 -0.071 9.992 1.00 50.04 H new ATOM 0 HD21 ASN A 88 5.367 0.500 12.958 1.00 74.15 H new ATOM 0 HD22 ASN A 88 6.340 1.176 11.647 1.00 74.15 H new ATOM 1436 N VAL A 89 4.798 -3.090 9.825 1.00 34.43 N ATOM 1437 CA VAL A 89 3.346 -3.121 9.618 1.00 54.53 C ATOM 1438 C VAL A 89 2.671 -2.606 10.899 1.00 22.31 C ATOM 1439 O VAL A 89 2.916 -3.132 11.989 1.00 1.35 O ATOM 1440 CB VAL A 89 2.818 -4.567 9.295 1.00 53.31 C ATOM 1441 CG1 VAL A 89 1.316 -4.548 8.906 1.00 12.21 C ATOM 1442 CG2 VAL A 89 3.664 -5.235 8.195 1.00 74.12 C ATOM 0 H VAL A 89 5.130 -3.805 10.472 1.00 34.43 H new ATOM 0 HA VAL A 89 3.106 -2.493 8.760 1.00 54.53 H new ATOM 0 HB VAL A 89 2.917 -5.162 10.203 1.00 53.31 H new ATOM 0 HG11 VAL A 89 0.983 -5.563 8.689 1.00 12.21 H new ATOM 0 HG12 VAL A 89 0.731 -4.143 9.732 1.00 12.21 H new ATOM 0 HG13 VAL A 89 1.177 -3.924 8.023 1.00 12.21 H new ATOM 0 HG21 VAL A 89 3.276 -6.233 7.993 1.00 74.12 H new ATOM 0 HG22 VAL A 89 3.617 -4.636 7.285 1.00 74.12 H new ATOM 0 HG23 VAL A 89 4.700 -5.309 8.527 1.00 74.12 H new ATOM 1452 N THR A 90 1.857 -1.562 10.757 1.00 13.33 N ATOM 1453 CA THR A 90 1.031 -1.007 11.834 1.00 63.34 C ATOM 1454 C THR A 90 -0.434 -1.058 11.379 1.00 44.55 C ATOM 1455 O THR A 90 -0.809 -0.343 10.457 1.00 43.14 O ATOM 1456 CB THR A 90 1.458 0.469 12.155 1.00 33.32 C ATOM 1457 OG1 THR A 90 2.833 0.500 12.588 1.00 4.50 O ATOM 1458 CG2 THR A 90 0.564 1.120 13.230 1.00 24.43 C ATOM 0 H THR A 90 1.749 -1.066 9.872 1.00 13.33 H new ATOM 0 HA THR A 90 1.162 -1.590 12.746 1.00 63.34 H new ATOM 0 HB THR A 90 1.340 1.044 11.237 1.00 33.32 H new ATOM 0 HG1 THR A 90 3.093 1.424 12.785 1.00 4.50 H new ATOM 0 HG21 THR A 90 0.902 2.140 13.415 1.00 24.43 H new ATOM 0 HG22 THR A 90 -0.469 1.137 12.883 1.00 24.43 H new ATOM 0 HG23 THR A 90 0.627 0.544 14.153 1.00 24.43 H new ATOM 1466 N TRP A 91 -1.256 -1.932 11.985 1.00 32.23 N ATOM 1467 CA TRP A 91 -2.682 -2.006 11.632 1.00 74.12 C ATOM 1468 C TRP A 91 -3.440 -0.841 12.304 1.00 50.23 C ATOM 1469 O TRP A 91 -3.056 -0.360 13.379 1.00 50.52 O ATOM 1470 CB TRP A 91 -3.297 -3.387 12.004 1.00 43.41 C ATOM 1471 CG TRP A 91 -4.627 -3.663 11.317 1.00 34.34 C ATOM 1472 CD1 TRP A 91 -4.810 -4.143 10.045 1.00 13.05 C ATOM 1473 CD2 TRP A 91 -5.947 -3.462 11.857 1.00 2.31 C ATOM 1474 NE1 TRP A 91 -6.151 -4.244 9.765 1.00 12.23 N ATOM 1475 CE2 TRP A 91 -6.868 -3.832 10.859 1.00 43.14 C ATOM 1476 CE3 TRP A 91 -6.432 -3.000 13.089 1.00 45.24 C ATOM 1477 CZ2 TRP A 91 -8.245 -3.757 11.048 1.00 64.31 C ATOM 1478 CZ3 TRP A 91 -7.800 -2.922 13.276 1.00 54.33 C ATOM 1479 CH2 TRP A 91 -8.691 -3.297 12.261 1.00 31.21 C ATOM 0 H TRP A 91 -0.963 -2.587 12.710 1.00 32.23 H new ATOM 0 HA TRP A 91 -2.781 -1.909 10.551 1.00 74.12 H new ATOM 0 HB2 TRP A 91 -2.590 -4.174 11.740 1.00 43.41 H new ATOM 0 HB3 TRP A 91 -3.438 -3.434 13.084 1.00 43.41 H new ATOM 0 HD1 TRP A 91 -4.015 -4.404 9.362 1.00 13.05 H new ATOM 0 HE1 TRP A 91 -6.549 -4.572 8.885 1.00 12.23 H new ATOM 0 HE3 TRP A 91 -5.751 -2.711 13.876 1.00 45.24 H new ATOM 0 HZ2 TRP A 91 -8.935 -4.049 10.270 1.00 64.31 H new ATOM 0 HZ3 TRP A 91 -8.188 -2.566 14.219 1.00 54.33 H new ATOM 0 HH2 TRP A 91 -9.754 -3.222 12.438 1.00 31.21 H new ATOM 1490 N ASP A 92 -4.513 -0.413 11.653 1.00 1.32 N ATOM 1491 CA ASP A 92 -5.345 0.740 12.044 1.00 10.41 C ATOM 1492 C ASP A 92 -6.811 0.369 11.745 1.00 34.14 C ATOM 1493 O ASP A 92 -7.050 -0.578 10.992 1.00 3.45 O ATOM 1494 CB ASP A 92 -4.904 1.993 11.236 1.00 72.23 C ATOM 1495 CG ASP A 92 -5.636 3.291 11.638 1.00 23.43 C ATOM 1496 OD1 ASP A 92 -5.163 3.985 12.562 1.00 22.44 O ATOM 1497 OD2 ASP A 92 -6.690 3.614 11.040 1.00 21.52 O ATOM 0 H ASP A 92 -4.849 -0.870 10.805 1.00 1.32 H new ATOM 0 HA ASP A 92 -5.233 0.974 13.103 1.00 10.41 H new ATOM 0 HB2 ASP A 92 -3.832 2.138 11.367 1.00 72.23 H new ATOM 0 HB3 ASP A 92 -5.073 1.806 10.176 1.00 72.23 H new ATOM 1502 N GLY A 93 -7.780 1.095 12.334 1.00 65.22 N ATOM 1503 CA GLY A 93 -9.208 0.787 12.167 1.00 75.31 C ATOM 1504 C GLY A 93 -9.659 0.768 10.698 1.00 43.40 C ATOM 1505 O GLY A 93 -9.797 1.829 10.077 1.00 44.33 O ATOM 0 H GLY A 93 -7.596 1.901 12.931 1.00 65.22 H new ATOM 0 HA2 GLY A 93 -9.418 -0.183 12.617 1.00 75.31 H new ATOM 0 HA3 GLY A 93 -9.798 1.525 12.711 1.00 75.31 H new ATOM 1509 N ASP A 94 -9.842 -0.467 10.156 1.00 71.24 N ATOM 1510 CA ASP A 94 -10.272 -0.730 8.753 1.00 11.15 C ATOM 1511 C ASP A 94 -9.189 -0.329 7.729 1.00 2.45 C ATOM 1512 O ASP A 94 -9.486 -0.137 6.543 1.00 11.30 O ATOM 1513 CB ASP A 94 -11.628 -0.027 8.418 1.00 24.35 C ATOM 1514 CG ASP A 94 -12.800 -0.488 9.300 1.00 41.33 C ATOM 1515 OD1 ASP A 94 -12.997 0.076 10.403 1.00 2.44 O ATOM 1516 OD2 ASP A 94 -13.521 -1.428 8.907 1.00 43.40 O ATOM 0 H ASP A 94 -9.692 -1.323 10.691 1.00 71.24 H new ATOM 0 HA ASP A 94 -10.421 -1.807 8.676 1.00 11.15 H new ATOM 0 HB2 ASP A 94 -11.505 1.050 8.528 1.00 24.35 H new ATOM 0 HB3 ASP A 94 -11.876 -0.215 7.373 1.00 24.35 H new ATOM 1521 N THR A 95 -7.929 -0.254 8.184 1.00 13.13 N ATOM 1522 CA THR A 95 -6.788 0.198 7.365 1.00 13.00 C ATOM 1523 C THR A 95 -5.486 -0.543 7.770 1.00 11.23 C ATOM 1524 O THR A 95 -5.136 -0.562 8.939 1.00 34.50 O ATOM 1525 CB THR A 95 -6.600 1.751 7.524 1.00 54.20 C ATOM 1526 OG1 THR A 95 -7.827 2.434 7.203 1.00 61.15 O ATOM 1527 CG2 THR A 95 -5.485 2.304 6.626 1.00 31.13 C ATOM 0 H THR A 95 -7.669 -0.507 9.137 1.00 13.13 H new ATOM 0 HA THR A 95 -6.999 -0.034 6.321 1.00 13.00 H new ATOM 0 HB THR A 95 -6.320 1.926 8.563 1.00 54.20 H new ATOM 0 HG1 THR A 95 -7.700 3.400 7.307 1.00 61.15 H new ATOM 0 HG21 THR A 95 -5.398 3.380 6.775 1.00 31.13 H new ATOM 0 HG22 THR A 95 -4.540 1.824 6.882 1.00 31.13 H new ATOM 0 HG23 THR A 95 -5.724 2.101 5.582 1.00 31.13 H new ATOM 1535 N VAL A 96 -4.770 -1.156 6.810 1.00 24.13 N ATOM 1536 CA VAL A 96 -3.397 -1.669 7.041 1.00 64.54 C ATOM 1537 C VAL A 96 -2.374 -0.571 6.636 1.00 65.33 C ATOM 1538 O VAL A 96 -2.326 -0.140 5.483 1.00 60.00 O ATOM 1539 CB VAL A 96 -3.129 -3.036 6.282 1.00 2.22 C ATOM 1540 CG1 VAL A 96 -3.338 -2.922 4.753 1.00 30.35 C ATOM 1541 CG2 VAL A 96 -1.725 -3.598 6.616 1.00 72.44 C ATOM 0 H VAL A 96 -5.116 -1.311 5.863 1.00 24.13 H new ATOM 0 HA VAL A 96 -3.281 -1.895 8.101 1.00 64.54 H new ATOM 0 HB VAL A 96 -3.874 -3.744 6.645 1.00 2.22 H new ATOM 0 HG11 VAL A 96 -3.141 -3.887 4.286 1.00 30.35 H new ATOM 0 HG12 VAL A 96 -4.366 -2.623 4.548 1.00 30.35 H new ATOM 0 HG13 VAL A 96 -2.655 -2.176 4.347 1.00 30.35 H new ATOM 0 HG21 VAL A 96 -1.571 -4.535 6.081 1.00 72.44 H new ATOM 0 HG22 VAL A 96 -0.964 -2.879 6.314 1.00 72.44 H new ATOM 0 HG23 VAL A 96 -1.650 -3.776 7.689 1.00 72.44 H new ATOM 1551 N THR A 97 -1.586 -0.093 7.613 1.00 31.53 N ATOM 1552 CA THR A 97 -0.692 1.068 7.440 1.00 21.53 C ATOM 1553 C THR A 97 0.785 0.641 7.551 1.00 62.55 C ATOM 1554 O THR A 97 1.270 0.349 8.642 1.00 75.12 O ATOM 1555 CB THR A 97 -1.034 2.153 8.516 1.00 44.41 C ATOM 1556 OG1 THR A 97 -2.441 2.458 8.454 1.00 50.03 O ATOM 1557 CG2 THR A 97 -0.217 3.442 8.336 1.00 3.40 C ATOM 0 H THR A 97 -1.550 -0.500 8.547 1.00 31.53 H new ATOM 0 HA THR A 97 -0.844 1.489 6.446 1.00 21.53 H new ATOM 0 HB THR A 97 -0.774 1.741 9.491 1.00 44.41 H new ATOM 0 HG1 THR A 97 -2.659 3.136 9.128 1.00 50.03 H new ATOM 0 HG21 THR A 97 -0.494 4.159 9.108 1.00 3.40 H new ATOM 0 HG22 THR A 97 0.846 3.214 8.418 1.00 3.40 H new ATOM 0 HG23 THR A 97 -0.422 3.869 7.354 1.00 3.40 H new ATOM 1565 N VAL A 98 1.488 0.595 6.415 1.00 21.43 N ATOM 1566 CA VAL A 98 2.916 0.244 6.360 1.00 31.51 C ATOM 1567 C VAL A 98 3.772 1.527 6.287 1.00 11.12 C ATOM 1568 O VAL A 98 3.658 2.315 5.342 1.00 1.50 O ATOM 1569 CB VAL A 98 3.200 -0.730 5.156 1.00 13.11 C ATOM 1570 CG1 VAL A 98 4.710 -0.859 4.845 1.00 21.05 C ATOM 1571 CG2 VAL A 98 2.579 -2.129 5.443 1.00 72.42 C ATOM 0 H VAL A 98 1.083 0.801 5.502 1.00 21.43 H new ATOM 0 HA VAL A 98 3.193 -0.286 7.271 1.00 31.51 H new ATOM 0 HB VAL A 98 2.730 -0.300 4.271 1.00 13.11 H new ATOM 0 HG11 VAL A 98 4.852 -1.542 4.007 1.00 21.05 H new ATOM 0 HG12 VAL A 98 5.113 0.120 4.588 1.00 21.05 H new ATOM 0 HG13 VAL A 98 5.230 -1.247 5.721 1.00 21.05 H new ATOM 0 HG21 VAL A 98 2.781 -2.796 4.605 1.00 72.42 H new ATOM 0 HG22 VAL A 98 3.019 -2.543 6.350 1.00 72.42 H new ATOM 0 HG23 VAL A 98 1.502 -2.029 5.576 1.00 72.42 H new ATOM 1581 N GLU A 99 4.593 1.730 7.333 1.00 32.35 N ATOM 1582 CA GLU A 99 5.513 2.873 7.463 1.00 32.25 C ATOM 1583 C GLU A 99 6.707 2.476 8.344 1.00 41.21 C ATOM 1584 O GLU A 99 6.508 1.898 9.419 1.00 53.51 O ATOM 1585 CB GLU A 99 4.780 4.093 8.094 1.00 25.04 C ATOM 1586 CG GLU A 99 5.688 5.314 8.406 1.00 54.11 C ATOM 1587 CD GLU A 99 4.956 6.448 9.150 1.00 61.53 C ATOM 1588 OE1 GLU A 99 4.444 6.203 10.268 1.00 54.43 O ATOM 1589 OE2 GLU A 99 4.867 7.577 8.620 1.00 51.31 O ATOM 0 H GLU A 99 4.636 1.091 8.127 1.00 32.35 H new ATOM 0 HA GLU A 99 5.867 3.152 6.471 1.00 32.25 H new ATOM 0 HB2 GLU A 99 3.988 4.412 7.417 1.00 25.04 H new ATOM 0 HB3 GLU A 99 4.299 3.771 9.018 1.00 25.04 H new ATOM 0 HG2 GLU A 99 6.535 4.983 9.007 1.00 54.11 H new ATOM 0 HG3 GLU A 99 6.093 5.704 7.472 1.00 54.11 H new ATOM 1596 N GLY A 100 7.930 2.800 7.889 1.00 2.32 N ATOM 1597 CA GLY A 100 9.136 2.709 8.726 1.00 40.12 C ATOM 1598 C GLY A 100 9.755 1.316 8.816 1.00 13.52 C ATOM 1599 O GLY A 100 9.390 0.407 8.054 1.00 70.05 O ATOM 0 H GLY A 100 8.108 3.129 6.940 1.00 2.32 H new ATOM 0 HA2 GLY A 100 9.884 3.398 8.335 1.00 40.12 H new ATOM 0 HA3 GLY A 100 8.888 3.046 9.733 1.00 40.12 H new