USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=27 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 59 SER OG : rot -90:sc= 0.349 USER MOD Set 1.2: A 97 THR OG1 : rot 98:sc= 0.927 USER MOD Set 2.1: A 88 ASN : amide:sc= 0.0679 X(o=0.14,f=0.052) USER MOD Set 2.2: A 90 THR OG1 : rot 82:sc= 0.0719 USER MOD Set 3.1: A 16 ASN : amide:sc= -0.275 K(o=-0.28,f=-3.3!) USER MOD Set 3.2: A 18 ASN :FLIP amide:sc= -2.02! C(o=-4.2!,f=-0.28!) USER MOD Set 3.3: A 53 CYS SG : rot -136:sc= 0.67 USER MOD Set 3.4: A 58 THR OG1 : rot 68:sc= 1.05 USER MOD Set 3.5: A 79 TYR OH : rot 180:sc= 0.296 USER MOD Set 4.1: A 42 ASN : amide:sc= 0 K(o=0.61,f=-0.97) USER MOD Set 4.2: A 45 LYS NZ :NH3+ -137:sc= 0.608 (180deg=0.0217) USER MOD Set 5.1: A 13 GLN : amide:sc= -0.0403 X(o=0.089,f=0.0097) USER MOD Set 5.2: A 15 GLN :FLIP amide:sc= 0.0514 F(o=-1.3,f=0.089) USER MOD Set 5.3: A 28 THR OG1 : rot -117:sc= 0.0774 USER MOD Single : A 17 ASN : amide:sc= -0.125 K(o=-0.13,f=-3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 165: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 -43:sc= 0.306 USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00151 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.274 K(o=-0.27,f=-4!) USER MOD Single : A 39 LYS NZ :NH3+ 142:sc= -0.657 (180deg=-2.57!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 131:sc= 0.618 (180deg=0.368) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 60:sc= -0.39 USER MOD Single : A 64 THR OG1 : rot 137:sc= 0.425 USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0714) USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0342) USER MOD Single : A 70 LYS NZ :NH3+ -137:sc= 0.776 (180deg=-0.215) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 -14.587 -0.069 -0.668 1.00 4.30 N ATOM 171 CA ASP A 11 -13.470 -0.081 -1.625 1.00 64.05 C ATOM 172 C ASP A 11 -12.140 0.242 -0.952 1.00 11.13 C ATOM 173 O ASP A 11 -12.098 0.860 0.122 1.00 1.34 O ATOM 174 CB ASP A 11 -13.737 0.915 -2.779 1.00 73.22 C ATOM 175 CG ASP A 11 -15.126 0.752 -3.399 1.00 3.45 C ATOM 176 OD1 ASP A 11 -15.408 -0.324 -3.966 1.00 71.04 O ATOM 177 OD2 ASP A 11 -15.950 1.683 -3.300 1.00 1.45 O ATOM 0 HA ASP A 11 -13.400 -1.091 -2.030 1.00 64.05 H new ATOM 0 HB2 ASP A 11 -13.629 1.933 -2.405 1.00 73.22 H new ATOM 0 HB3 ASP A 11 -12.981 0.778 -3.552 1.00 73.22 H new ATOM 182 N ILE A 12 -11.060 -0.165 -1.620 1.00 43.11 N ATOM 183 CA ILE A 12 -9.703 -0.024 -1.105 1.00 22.33 C ATOM 184 C ILE A 12 -9.177 1.392 -1.420 1.00 13.02 C ATOM 185 O ILE A 12 -8.804 1.688 -2.557 1.00 54.33 O ATOM 186 CB ILE A 12 -8.749 -1.098 -1.745 1.00 63.12 C ATOM 187 CG1 ILE A 12 -9.384 -2.527 -1.696 1.00 24.02 C ATOM 188 CG2 ILE A 12 -7.364 -1.079 -1.058 1.00 65.55 C ATOM 189 CD1 ILE A 12 -8.710 -3.549 -2.606 1.00 22.03 C ATOM 0 H ILE A 12 -11.106 -0.604 -2.539 1.00 43.11 H new ATOM 0 HA ILE A 12 -9.722 -0.178 -0.026 1.00 22.33 H new ATOM 0 HB ILE A 12 -8.610 -0.839 -2.795 1.00 63.12 H new ATOM 0 HG12 ILE A 12 -9.347 -2.893 -0.670 1.00 24.02 H new ATOM 0 HG13 ILE A 12 -10.436 -2.453 -1.970 1.00 24.02 H new ATOM 0 HG21 ILE A 12 -6.720 -1.830 -1.516 1.00 65.55 H new ATOM 0 HG22 ILE A 12 -6.913 -0.094 -1.175 1.00 65.55 H new ATOM 0 HG23 ILE A 12 -7.481 -1.300 0.003 1.00 65.55 H new ATOM 0 HD11 ILE A 12 -9.214 -4.511 -2.509 1.00 22.03 H new ATOM 0 HD12 ILE A 12 -8.770 -3.211 -3.640 1.00 22.03 H new ATOM 0 HD13 ILE A 12 -7.664 -3.657 -2.320 1.00 22.03 H new ATOM 201 N GLN A 13 -9.171 2.258 -0.403 1.00 31.44 N ATOM 202 CA GLN A 13 -8.511 3.565 -0.478 1.00 53.25 C ATOM 203 C GLN A 13 -7.002 3.357 -0.228 1.00 23.24 C ATOM 204 O GLN A 13 -6.571 3.095 0.903 1.00 61.11 O ATOM 205 CB GLN A 13 -9.115 4.535 0.584 1.00 63.10 C ATOM 206 CG GLN A 13 -8.415 5.910 0.685 1.00 42.40 C ATOM 207 CD GLN A 13 -8.854 6.734 1.902 1.00 53.52 C ATOM 208 OE1 GLN A 13 -9.991 6.643 2.368 1.00 24.52 O ATOM 209 NE2 GLN A 13 -7.950 7.526 2.443 1.00 35.14 N ATOM 0 H GLN A 13 -9.622 2.074 0.493 1.00 31.44 H new ATOM 0 HA GLN A 13 -8.665 4.010 -1.461 1.00 53.25 H new ATOM 0 HB2 GLN A 13 -10.167 4.696 0.350 1.00 63.10 H new ATOM 0 HB3 GLN A 13 -9.076 4.051 1.560 1.00 63.10 H new ATOM 0 HG2 GLN A 13 -7.337 5.757 0.730 1.00 42.40 H new ATOM 0 HG3 GLN A 13 -8.619 6.480 -0.222 1.00 42.40 H new ATOM 0 HE21 GLN A 13 -7.015 7.584 2.039 1.00 35.14 H new ATOM 0 HE22 GLN A 13 -8.185 8.081 3.266 1.00 35.14 H new ATOM 218 N VAL A 14 -6.227 3.410 -1.319 1.00 32.01 N ATOM 219 CA VAL A 14 -4.761 3.387 -1.266 1.00 51.02 C ATOM 220 C VAL A 14 -4.279 4.848 -1.239 1.00 31.52 C ATOM 221 O VAL A 14 -4.316 5.531 -2.252 1.00 64.41 O ATOM 222 CB VAL A 14 -4.155 2.648 -2.527 1.00 40.03 C ATOM 223 CG1 VAL A 14 -2.613 2.577 -2.434 1.00 42.44 C ATOM 224 CG2 VAL A 14 -4.773 1.240 -2.702 1.00 24.41 C ATOM 0 H VAL A 14 -6.601 3.470 -2.266 1.00 32.01 H new ATOM 0 HA VAL A 14 -4.432 2.845 -0.379 1.00 51.02 H new ATOM 0 HB VAL A 14 -4.411 3.230 -3.413 1.00 40.03 H new ATOM 0 HG11 VAL A 14 -2.219 2.065 -3.312 1.00 42.44 H new ATOM 0 HG12 VAL A 14 -2.204 3.586 -2.389 1.00 42.44 H new ATOM 0 HG13 VAL A 14 -2.327 2.030 -1.536 1.00 42.44 H new ATOM 0 HG21 VAL A 14 -4.337 0.757 -3.577 1.00 24.41 H new ATOM 0 HG22 VAL A 14 -4.567 0.640 -1.816 1.00 24.41 H new ATOM 0 HG23 VAL A 14 -5.851 1.330 -2.837 1.00 24.41 H new ATOM 234 N GLN A 15 -3.839 5.314 -0.065 1.00 2.04 N ATOM 235 CA GLN A 15 -3.375 6.691 0.135 1.00 13.31 C ATOM 236 C GLN A 15 -1.957 6.668 0.694 1.00 14.22 C ATOM 237 O GLN A 15 -1.731 6.174 1.796 1.00 11.33 O ATOM 238 CB GLN A 15 -4.330 7.442 1.096 1.00 2.23 C ATOM 239 CG GLN A 15 -3.841 8.852 1.516 1.00 50.40 C ATOM 240 CD GLN A 15 -4.882 9.665 2.283 1.00 62.24 C ATOM 241 OE1 GLN A 15 -6.136 9.586 1.872 1.00 65.53 O flip ATOM 242 NE2 GLN A 15 -4.556 10.420 3.197 1.00 10.22 N flip ATOM 0 H GLN A 15 -3.795 4.742 0.779 1.00 2.04 H new ATOM 0 HA GLN A 15 -3.372 7.217 -0.820 1.00 13.31 H new ATOM 0 HB2 GLN A 15 -5.305 7.537 0.618 1.00 2.23 H new ATOM 0 HB3 GLN A 15 -4.472 6.838 1.992 1.00 2.23 H new ATOM 0 HG2 GLN A 15 -2.949 8.747 2.134 1.00 50.40 H new ATOM 0 HG3 GLN A 15 -3.548 9.405 0.624 1.00 50.40 H new ATOM 0 HE21 GLN A 15 -3.583 10.465 3.498 1.00 10.22 H new ATOM 0 HE22 GLN A 15 -5.259 11.001 3.654 1.00 10.22 H new ATOM 251 N ASN A 16 -1.015 7.210 -0.080 1.00 55.10 N ATOM 252 CA ASN A 16 0.394 7.281 0.310 1.00 2.34 C ATOM 253 C ASN A 16 0.714 8.718 0.743 1.00 24.11 C ATOM 254 O ASN A 16 0.677 9.649 -0.057 1.00 15.33 O ATOM 255 CB ASN A 16 1.271 6.819 -0.880 1.00 40.11 C ATOM 256 CG ASN A 16 2.770 7.087 -0.709 1.00 22.05 C ATOM 257 OD1 ASN A 16 3.289 8.073 -1.200 1.00 55.02 O ATOM 258 ND2 ASN A 16 3.473 6.222 -0.011 1.00 5.33 N ATOM 0 H ASN A 16 -1.208 7.613 -0.997 1.00 55.10 H new ATOM 0 HA ASN A 16 0.604 6.621 1.152 1.00 2.34 H new ATOM 0 HB2 ASN A 16 1.121 5.750 -1.031 1.00 40.11 H new ATOM 0 HB3 ASN A 16 0.926 7.320 -1.785 1.00 40.11 H new ATOM 0 HD21 ASN A 16 4.473 6.371 0.128 1.00 5.33 H new ATOM 0 HD22 ASN A 16 3.019 5.402 0.392 1.00 5.33 H new ATOM 265 N ASN A 17 1.022 8.875 2.031 1.00 14.13 N ATOM 266 CA ASN A 17 1.301 10.172 2.647 1.00 23.52 C ATOM 267 C ASN A 17 2.823 10.296 2.789 1.00 2.25 C ATOM 268 O ASN A 17 3.450 9.477 3.453 1.00 34.31 O ATOM 269 CB ASN A 17 0.624 10.247 4.045 1.00 54.14 C ATOM 270 CG ASN A 17 0.687 11.635 4.697 1.00 40.54 C ATOM 271 OD1 ASN A 17 1.572 12.449 4.419 1.00 43.14 O ATOM 272 ND2 ASN A 17 -0.242 11.905 5.597 1.00 63.44 N ATOM 0 H ASN A 17 1.085 8.094 2.684 1.00 14.13 H new ATOM 0 HA ASN A 17 0.908 10.984 2.035 1.00 23.52 H new ATOM 0 HB2 ASN A 17 -0.420 9.950 3.948 1.00 54.14 H new ATOM 0 HB3 ASN A 17 1.101 9.524 4.707 1.00 54.14 H new ATOM 0 HD21 ASN A 17 -0.238 12.803 6.080 1.00 63.44 H new ATOM 0 HD22 ASN A 17 -0.963 11.215 5.809 1.00 63.44 H new ATOM 279 N ASN A 18 3.410 11.296 2.134 1.00 15.32 N ATOM 280 CA ASN A 18 4.862 11.543 2.167 1.00 72.01 C ATOM 281 C ASN A 18 5.126 12.903 2.810 1.00 12.04 C ATOM 282 O ASN A 18 4.574 13.917 2.363 1.00 1.05 O ATOM 283 CB ASN A 18 5.450 11.479 0.732 1.00 71.03 C ATOM 284 CG ASN A 18 5.284 10.101 0.080 1.00 62.44 C ATOM 285 OD1 ASN A 18 5.152 10.073 -1.234 1.00 2.24 O flip ATOM 286 ND2 ASN A 18 5.282 9.065 0.755 1.00 2.12 N flip ATOM 0 H ASN A 18 2.895 11.964 1.561 1.00 15.32 H new ATOM 0 HA ASN A 18 5.353 10.772 2.762 1.00 72.01 H new ATOM 0 HB2 ASN A 18 4.962 12.230 0.111 1.00 71.03 H new ATOM 0 HB3 ASN A 18 6.509 11.734 0.767 1.00 71.03 H new ATOM 0 HD21 ASN A 18 5.386 9.116 1.768 1.00 2.12 H new ATOM 0 HD22 ASN A 18 5.177 8.159 0.298 1.00 2.12 H new ATOM 293 N THR A 19 5.973 12.924 3.855 1.00 70.14 N ATOM 294 CA THR A 19 6.306 14.155 4.576 1.00 10.11 C ATOM 295 C THR A 19 7.568 14.762 3.948 1.00 43.12 C ATOM 296 O THR A 19 8.673 14.213 4.082 1.00 72.53 O ATOM 297 CB THR A 19 6.555 13.883 6.100 1.00 43.22 C ATOM 298 OG1 THR A 19 5.477 13.103 6.646 1.00 15.42 O ATOM 299 CG2 THR A 19 6.700 15.186 6.912 1.00 21.44 C ATOM 0 H THR A 19 6.440 12.093 4.217 1.00 70.14 H new ATOM 0 HA THR A 19 5.465 14.844 4.497 1.00 10.11 H new ATOM 0 HB THR A 19 7.494 13.334 6.176 1.00 43.22 H new ATOM 0 HG1 THR A 19 5.643 12.937 7.598 1.00 15.42 H new ATOM 0 HG21 THR A 19 6.871 14.944 7.961 1.00 21.44 H new ATOM 0 HG22 THR A 19 7.544 15.761 6.530 1.00 21.44 H new ATOM 0 HG23 THR A 19 5.788 15.776 6.820 1.00 21.44 H new ATOM 407 N TYR A 27 -1.942 11.239 -4.104 1.00 24.13 N ATOM 408 CA TYR A 27 -1.446 9.857 -3.902 1.00 0.31 C ATOM 409 C TYR A 27 -2.546 8.920 -3.334 1.00 20.22 C ATOM 410 O TYR A 27 -2.252 7.837 -2.817 1.00 64.32 O ATOM 411 CB TYR A 27 -0.161 9.853 -3.019 1.00 75.13 C ATOM 412 CG TYR A 27 1.120 10.411 -3.684 1.00 61.32 C ATOM 413 CD1 TYR A 27 1.124 11.610 -4.407 1.00 21.44 C ATOM 414 CD2 TYR A 27 2.338 9.732 -3.576 1.00 13.22 C ATOM 415 CE1 TYR A 27 2.282 12.091 -4.991 1.00 31.04 C ATOM 416 CE2 TYR A 27 3.494 10.210 -4.153 1.00 33.42 C ATOM 417 CZ TYR A 27 3.462 11.388 -4.860 1.00 75.12 C ATOM 418 OH TYR A 27 4.613 11.863 -5.445 1.00 53.01 O ATOM 0 HA TYR A 27 -1.177 9.456 -4.879 1.00 0.31 H new ATOM 0 HB2 TYR A 27 -0.361 10.433 -2.118 1.00 75.13 H new ATOM 0 HB3 TYR A 27 0.035 8.829 -2.702 1.00 75.13 H new ATOM 0 HD1 TYR A 27 0.206 12.170 -4.511 1.00 21.44 H new ATOM 0 HD2 TYR A 27 2.373 8.805 -3.023 1.00 13.22 H new ATOM 0 HE1 TYR A 27 2.263 13.016 -5.549 1.00 31.04 H new ATOM 0 HE2 TYR A 27 4.419 9.663 -4.050 1.00 33.42 H new ATOM 0 HH TYR A 27 5.388 11.393 -5.072 1.00 53.01 H new ATOM 428 N THR A 28 -3.819 9.342 -3.489 1.00 24.24 N ATOM 429 CA THR A 28 -5.002 8.606 -3.041 1.00 13.53 C ATOM 430 C THR A 28 -5.718 8.037 -4.266 1.00 50.44 C ATOM 431 O THR A 28 -6.029 8.779 -5.204 1.00 34.32 O ATOM 432 CB THR A 28 -5.979 9.526 -2.238 1.00 34.44 C ATOM 433 OG1 THR A 28 -5.261 10.164 -1.164 1.00 20.21 O ATOM 434 CG2 THR A 28 -7.181 8.740 -1.663 1.00 72.34 C ATOM 0 H THR A 28 -4.049 10.227 -3.941 1.00 24.24 H new ATOM 0 HA THR A 28 -4.684 7.802 -2.377 1.00 13.53 H new ATOM 0 HB THR A 28 -6.374 10.272 -2.927 1.00 34.44 H new ATOM 0 HG1 THR A 28 -5.635 9.878 -0.305 1.00 20.21 H new ATOM 0 HG21 THR A 28 -7.832 9.421 -1.114 1.00 72.34 H new ATOM 0 HG22 THR A 28 -7.741 8.283 -2.479 1.00 72.34 H new ATOM 0 HG23 THR A 28 -6.819 7.962 -0.991 1.00 72.34 H new ATOM 442 N TYR A 29 -5.938 6.715 -4.267 1.00 55.15 N ATOM 443 CA TYR A 29 -6.584 5.993 -5.368 1.00 20.52 C ATOM 444 C TYR A 29 -7.567 5.001 -4.756 1.00 32.41 C ATOM 445 O TYR A 29 -7.162 4.134 -3.976 1.00 35.44 O ATOM 446 CB TYR A 29 -5.522 5.232 -6.221 1.00 15.51 C ATOM 447 CG TYR A 29 -4.321 6.099 -6.642 1.00 42.45 C ATOM 448 CD1 TYR A 29 -4.405 6.967 -7.735 1.00 33.42 C ATOM 449 CD2 TYR A 29 -3.108 6.058 -5.935 1.00 24.42 C ATOM 450 CE1 TYR A 29 -3.330 7.758 -8.106 1.00 73.24 C ATOM 451 CE2 TYR A 29 -2.033 6.847 -6.307 1.00 22.31 C ATOM 452 CZ TYR A 29 -2.147 7.693 -7.392 1.00 72.21 C ATOM 453 OH TYR A 29 -1.072 8.483 -7.755 1.00 41.14 O ATOM 0 H TYR A 29 -5.668 6.110 -3.491 1.00 55.15 H new ATOM 0 HA TYR A 29 -7.101 6.693 -6.024 1.00 20.52 H new ATOM 0 HB2 TYR A 29 -5.158 4.377 -5.651 1.00 15.51 H new ATOM 0 HB3 TYR A 29 -6.004 4.837 -7.116 1.00 15.51 H new ATOM 0 HD1 TYR A 29 -5.324 7.022 -8.300 1.00 33.42 H new ATOM 0 HD2 TYR A 29 -3.012 5.399 -5.085 1.00 24.42 H new ATOM 0 HE1 TYR A 29 -3.415 8.425 -8.952 1.00 73.24 H new ATOM 0 HE2 TYR A 29 -1.109 6.801 -5.750 1.00 22.31 H new ATOM 0 HH TYR A 29 -0.322 8.314 -7.148 1.00 41.14 H new ATOM 463 N THR A 30 -8.846 5.115 -5.107 1.00 5.13 N ATOM 464 CA THR A 30 -9.877 4.211 -4.611 1.00 53.31 C ATOM 465 C THR A 30 -10.105 3.113 -5.660 1.00 14.31 C ATOM 466 O THR A 30 -10.679 3.359 -6.730 1.00 21.31 O ATOM 467 CB THR A 30 -11.190 4.989 -4.298 1.00 23.12 C ATOM 468 OG1 THR A 30 -10.878 6.136 -3.482 1.00 4.44 O ATOM 469 CG2 THR A 30 -12.224 4.107 -3.572 1.00 32.03 C ATOM 0 H THR A 30 -9.194 5.834 -5.741 1.00 5.13 H new ATOM 0 HA THR A 30 -9.554 3.752 -3.677 1.00 53.31 H new ATOM 0 HB THR A 30 -11.630 5.302 -5.245 1.00 23.12 H new ATOM 0 HG1 THR A 30 -11.701 6.630 -3.284 1.00 4.44 H new ATOM 0 HG21 THR A 30 -13.124 4.690 -3.373 1.00 32.03 H new ATOM 0 HG22 THR A 30 -12.477 3.252 -4.199 1.00 32.03 H new ATOM 0 HG23 THR A 30 -11.804 3.755 -2.630 1.00 32.03 H new ATOM 477 N VAL A 31 -9.590 1.922 -5.357 1.00 1.11 N ATOM 478 CA VAL A 31 -9.629 0.756 -6.245 1.00 61.43 C ATOM 479 C VAL A 31 -10.589 -0.299 -5.664 1.00 41.13 C ATOM 480 O VAL A 31 -10.559 -0.592 -4.469 1.00 52.12 O ATOM 481 CB VAL A 31 -8.173 0.176 -6.458 1.00 4.01 C ATOM 482 CG1 VAL A 31 -7.244 1.233 -7.119 1.00 54.25 C ATOM 483 CG2 VAL A 31 -7.545 -0.341 -5.145 1.00 23.11 C ATOM 0 H VAL A 31 -9.124 1.735 -4.469 1.00 1.11 H new ATOM 0 HA VAL A 31 -10.003 1.052 -7.225 1.00 61.43 H new ATOM 0 HB VAL A 31 -8.273 -0.677 -7.129 1.00 4.01 H new ATOM 0 HG11 VAL A 31 -6.249 0.809 -7.254 1.00 54.25 H new ATOM 0 HG12 VAL A 31 -7.651 1.520 -8.089 1.00 54.25 H new ATOM 0 HG13 VAL A 31 -7.180 2.112 -6.478 1.00 54.25 H new ATOM 0 HG21 VAL A 31 -6.546 -0.728 -5.347 1.00 23.11 H new ATOM 0 HG22 VAL A 31 -7.479 0.476 -4.427 1.00 23.11 H new ATOM 0 HG23 VAL A 31 -8.166 -1.136 -4.733 1.00 23.11 H new ATOM 493 N THR A 32 -11.480 -0.832 -6.508 1.00 2.02 N ATOM 494 CA THR A 32 -12.477 -1.845 -6.090 1.00 31.40 C ATOM 495 C THR A 32 -12.001 -3.269 -6.466 1.00 54.03 C ATOM 496 O THR A 32 -12.737 -4.256 -6.319 1.00 63.43 O ATOM 497 CB THR A 32 -13.881 -1.518 -6.719 1.00 3.12 C ATOM 498 OG1 THR A 32 -14.894 -2.362 -6.157 1.00 32.25 O ATOM 499 CG2 THR A 32 -13.899 -1.654 -8.251 1.00 42.41 C ATOM 0 H THR A 32 -11.537 -0.581 -7.495 1.00 2.02 H new ATOM 0 HA THR A 32 -12.580 -1.812 -5.005 1.00 31.40 H new ATOM 0 HB THR A 32 -14.086 -0.475 -6.479 1.00 3.12 H new ATOM 0 HG1 THR A 32 -14.558 -3.281 -6.097 1.00 32.25 H new ATOM 0 HG21 THR A 32 -14.894 -1.416 -8.626 1.00 42.41 H new ATOM 0 HG22 THR A 32 -13.173 -0.967 -8.686 1.00 42.41 H new ATOM 0 HG23 THR A 32 -13.642 -2.676 -8.529 1.00 42.41 H new ATOM 507 N THR A 33 -10.736 -3.363 -6.925 1.00 74.02 N ATOM 508 CA THR A 33 -10.122 -4.617 -7.401 1.00 55.20 C ATOM 509 C THR A 33 -8.601 -4.596 -7.135 1.00 31.13 C ATOM 510 O THR A 33 -7.970 -3.530 -7.193 1.00 25.13 O ATOM 511 CB THR A 33 -10.394 -4.817 -8.933 1.00 62.22 C ATOM 512 OG1 THR A 33 -11.804 -4.715 -9.194 1.00 1.24 O ATOM 513 CG2 THR A 33 -9.882 -6.169 -9.459 1.00 2.21 C ATOM 0 H THR A 33 -10.107 -2.562 -6.976 1.00 74.02 H new ATOM 0 HA THR A 33 -10.569 -5.449 -6.857 1.00 55.20 H new ATOM 0 HB THR A 33 -9.847 -4.032 -9.455 1.00 62.22 H new ATOM 0 HG1 THR A 33 -11.969 -4.839 -10.152 1.00 1.24 H new ATOM 0 HG21 THR A 33 -10.098 -6.251 -10.524 1.00 2.21 H new ATOM 0 HG22 THR A 33 -8.806 -6.237 -9.301 1.00 2.21 H new ATOM 0 HG23 THR A 33 -10.379 -6.979 -8.925 1.00 2.21 H new ATOM 521 N GLU A 34 -8.029 -5.788 -6.859 1.00 23.11 N ATOM 522 CA GLU A 34 -6.587 -5.957 -6.609 1.00 13.33 C ATOM 523 C GLU A 34 -5.762 -5.772 -7.888 1.00 51.22 C ATOM 524 O GLU A 34 -4.607 -5.392 -7.808 1.00 15.43 O ATOM 525 CB GLU A 34 -6.268 -7.327 -5.979 1.00 25.45 C ATOM 526 CG GLU A 34 -6.914 -7.552 -4.607 1.00 44.32 C ATOM 527 CD GLU A 34 -6.379 -8.813 -3.917 1.00 2.20 C ATOM 528 OE1 GLU A 34 -5.230 -8.782 -3.419 1.00 12.32 O ATOM 529 OE2 GLU A 34 -7.073 -9.848 -3.897 1.00 4.41 O ATOM 0 H GLU A 34 -8.557 -6.659 -6.804 1.00 23.11 H new ATOM 0 HA GLU A 34 -6.308 -5.178 -5.899 1.00 13.33 H new ATOM 0 HB2 GLU A 34 -6.600 -8.113 -6.658 1.00 25.45 H new ATOM 0 HB3 GLU A 34 -5.187 -7.426 -5.880 1.00 25.45 H new ATOM 0 HG2 GLU A 34 -6.728 -6.685 -3.973 1.00 44.32 H new ATOM 0 HG3 GLU A 34 -7.994 -7.634 -4.725 1.00 44.32 H new ATOM 536 N SER A 35 -6.361 -6.065 -9.060 1.00 11.20 N ATOM 537 CA SER A 35 -5.738 -5.791 -10.378 1.00 3.21 C ATOM 538 C SER A 35 -5.391 -4.293 -10.509 1.00 54.13 C ATOM 539 O SER A 35 -4.316 -3.922 -11.006 1.00 55.32 O ATOM 540 CB SER A 35 -6.692 -6.220 -11.518 1.00 3.52 C ATOM 541 OG SER A 35 -7.161 -7.541 -11.314 1.00 32.23 O ATOM 0 H SER A 35 -7.284 -6.495 -9.124 1.00 11.20 H new ATOM 0 HA SER A 35 -4.817 -6.368 -10.454 1.00 3.21 H new ATOM 0 HB2 SER A 35 -7.537 -5.533 -11.568 1.00 3.52 H new ATOM 0 HB3 SER A 35 -6.173 -6.158 -12.475 1.00 3.52 H new ATOM 0 HG SER A 35 -7.764 -7.791 -12.045 1.00 32.23 H new ATOM 547 N GLU A 36 -6.319 -3.458 -10.001 1.00 64.45 N ATOM 548 CA GLU A 36 -6.195 -1.995 -9.988 1.00 53.32 C ATOM 549 C GLU A 36 -5.218 -1.533 -8.897 1.00 23.20 C ATOM 550 O GLU A 36 -4.542 -0.519 -9.046 1.00 34.31 O ATOM 551 CB GLU A 36 -7.588 -1.352 -9.771 1.00 51.30 C ATOM 552 CG GLU A 36 -8.671 -1.828 -10.751 1.00 4.10 C ATOM 553 CD GLU A 36 -8.274 -1.628 -12.220 1.00 60.43 C ATOM 554 OE1 GLU A 36 -8.306 -0.471 -12.690 1.00 35.52 O ATOM 555 OE2 GLU A 36 -7.945 -2.616 -12.909 1.00 24.04 O ATOM 0 H GLU A 36 -7.188 -3.791 -9.583 1.00 64.45 H new ATOM 0 HA GLU A 36 -5.798 -1.674 -10.951 1.00 53.32 H new ATOM 0 HB2 GLU A 36 -7.918 -1.565 -8.754 1.00 51.30 H new ATOM 0 HB3 GLU A 36 -7.491 -0.270 -9.855 1.00 51.30 H new ATOM 0 HG2 GLU A 36 -8.875 -2.884 -10.575 1.00 4.10 H new ATOM 0 HG3 GLU A 36 -9.597 -1.288 -10.553 1.00 4.10 H new ATOM 562 N LEU A 37 -5.167 -2.294 -7.798 1.00 33.31 N ATOM 563 CA LEU A 37 -4.277 -2.028 -6.659 1.00 12.51 C ATOM 564 C LEU A 37 -2.805 -2.286 -7.041 1.00 62.24 C ATOM 565 O LEU A 37 -1.930 -1.477 -6.732 1.00 33.24 O ATOM 566 CB LEU A 37 -4.748 -2.896 -5.458 1.00 51.14 C ATOM 567 CG LEU A 37 -3.882 -2.894 -4.141 1.00 35.25 C ATOM 568 CD1 LEU A 37 -4.760 -3.007 -2.877 1.00 42.52 C ATOM 569 CD2 LEU A 37 -2.832 -4.037 -4.144 1.00 44.40 C ATOM 0 H LEU A 37 -5.749 -3.122 -7.672 1.00 33.31 H new ATOM 0 HA LEU A 37 -4.330 -0.979 -6.369 1.00 12.51 H new ATOM 0 HB2 LEU A 37 -5.755 -2.575 -5.192 1.00 51.14 H new ATOM 0 HB3 LEU A 37 -4.823 -3.927 -5.804 1.00 51.14 H new ATOM 0 HG LEU A 37 -3.361 -1.937 -4.119 1.00 35.25 H new ATOM 0 HD11 LEU A 37 -4.125 -3.002 -1.991 1.00 42.52 H new ATOM 0 HD12 LEU A 37 -5.448 -2.162 -2.835 1.00 42.52 H new ATOM 0 HD13 LEU A 37 -5.328 -3.936 -2.911 1.00 42.52 H new ATOM 0 HD21 LEU A 37 -2.255 -4.003 -3.220 1.00 44.40 H new ATOM 0 HD22 LEU A 37 -3.341 -4.998 -4.219 1.00 44.40 H new ATOM 0 HD23 LEU A 37 -2.162 -3.914 -4.995 1.00 44.40 H new ATOM 581 N GLN A 38 -2.564 -3.400 -7.753 1.00 23.05 N ATOM 582 CA GLN A 38 -1.206 -3.861 -8.124 1.00 22.25 C ATOM 583 C GLN A 38 -0.531 -2.884 -9.100 1.00 45.35 C ATOM 584 O GLN A 38 0.637 -2.509 -8.919 1.00 72.34 O ATOM 585 CB GLN A 38 -1.270 -5.289 -8.742 1.00 41.24 C ATOM 586 CG GLN A 38 -1.676 -6.420 -7.759 1.00 4.53 C ATOM 587 CD GLN A 38 -0.619 -6.780 -6.707 1.00 31.52 C ATOM 588 OE1 GLN A 38 0.191 -5.958 -6.287 1.00 63.15 O ATOM 589 NE2 GLN A 38 -0.644 -8.025 -6.240 1.00 5.13 N ATOM 0 H GLN A 38 -3.306 -4.012 -8.091 1.00 23.05 H new ATOM 0 HA GLN A 38 -0.603 -3.896 -7.216 1.00 22.25 H new ATOM 0 HB2 GLN A 38 -1.979 -5.277 -9.569 1.00 41.24 H new ATOM 0 HB3 GLN A 38 -0.294 -5.529 -9.163 1.00 41.24 H new ATOM 0 HG2 GLN A 38 -2.590 -6.123 -7.246 1.00 4.53 H new ATOM 0 HG3 GLN A 38 -1.911 -7.314 -8.336 1.00 4.53 H new ATOM 0 HE21 GLN A 38 -1.325 -8.692 -6.603 1.00 5.13 H new ATOM 0 HE22 GLN A 38 0.018 -8.313 -5.519 1.00 5.13 H new ATOM 598 N LYS A 39 -1.296 -2.472 -10.131 1.00 33.53 N ATOM 599 CA LYS A 39 -0.805 -1.572 -11.183 1.00 42.11 C ATOM 600 C LYS A 39 -0.473 -0.179 -10.618 1.00 40.23 C ATOM 601 O LYS A 39 0.507 0.443 -11.034 1.00 34.43 O ATOM 602 CB LYS A 39 -1.842 -1.461 -12.338 1.00 14.04 C ATOM 603 CG LYS A 39 -3.196 -0.828 -11.940 1.00 24.31 C ATOM 604 CD LYS A 39 -4.246 -0.758 -13.074 1.00 11.31 C ATOM 605 CE LYS A 39 -3.958 0.310 -14.146 1.00 35.24 C ATOM 606 NZ LYS A 39 -2.768 0.009 -14.989 1.00 54.21 N ATOM 0 H LYS A 39 -2.268 -2.755 -10.254 1.00 33.53 H new ATOM 0 HA LYS A 39 0.115 -1.998 -11.583 1.00 42.11 H new ATOM 0 HB2 LYS A 39 -1.405 -0.871 -13.144 1.00 14.04 H new ATOM 0 HB3 LYS A 39 -2.027 -2.458 -12.737 1.00 14.04 H new ATOM 0 HG2 LYS A 39 -3.616 -1.398 -11.111 1.00 24.31 H new ATOM 0 HG3 LYS A 39 -3.013 0.182 -11.572 1.00 24.31 H new ATOM 0 HD2 LYS A 39 -4.306 -1.733 -13.557 1.00 11.31 H new ATOM 0 HD3 LYS A 39 -5.224 -0.560 -12.635 1.00 11.31 H new ATOM 0 HE2 LYS A 39 -4.832 0.410 -14.790 1.00 35.24 H new ATOM 0 HE3 LYS A 39 -3.811 1.273 -13.656 1.00 35.24 H new ATOM 0 HZ1 LYS A 39 -2.956 0.296 -15.971 1.00 54.21 H new ATOM 0 HZ2 LYS A 39 -1.945 0.532 -14.627 1.00 54.21 H new ATOM 0 HZ3 LYS A 39 -2.570 -1.012 -14.959 1.00 54.21 H new ATOM 620 N VAL A 40 -1.289 0.291 -9.646 1.00 14.44 N ATOM 621 CA VAL A 40 -1.173 1.654 -9.115 1.00 30.14 C ATOM 622 C VAL A 40 -0.098 1.729 -8.010 1.00 13.53 C ATOM 623 O VAL A 40 0.488 2.786 -7.797 1.00 74.00 O ATOM 624 CB VAL A 40 -2.560 2.206 -8.601 1.00 12.33 C ATOM 625 CG1 VAL A 40 -2.964 1.648 -7.214 1.00 12.24 C ATOM 626 CG2 VAL A 40 -2.578 3.749 -8.620 1.00 3.50 C ATOM 0 H VAL A 40 -2.033 -0.260 -9.218 1.00 14.44 H new ATOM 0 HA VAL A 40 -0.857 2.296 -9.937 1.00 30.14 H new ATOM 0 HB VAL A 40 -3.316 1.844 -9.297 1.00 12.33 H new ATOM 0 HG11 VAL A 40 -3.926 2.067 -6.919 1.00 12.24 H new ATOM 0 HG12 VAL A 40 -3.042 0.562 -7.267 1.00 12.24 H new ATOM 0 HG13 VAL A 40 -2.208 1.922 -6.478 1.00 12.24 H new ATOM 0 HG21 VAL A 40 -3.544 4.106 -8.262 1.00 3.50 H new ATOM 0 HG22 VAL A 40 -1.788 4.130 -7.973 1.00 3.50 H new ATOM 0 HG23 VAL A 40 -2.416 4.102 -9.638 1.00 3.50 H new ATOM 636 N LEU A 41 0.147 0.594 -7.310 1.00 33.02 N ATOM 637 CA LEU A 41 1.264 0.466 -6.344 1.00 51.41 C ATOM 638 C LEU A 41 2.605 0.353 -7.081 1.00 73.25 C ATOM 639 O LEU A 41 3.643 0.745 -6.541 1.00 51.52 O ATOM 640 CB LEU A 41 1.078 -0.755 -5.391 1.00 73.05 C ATOM 641 CG LEU A 41 0.013 -0.595 -4.260 1.00 23.24 C ATOM 642 CD1 LEU A 41 -0.071 -1.874 -3.409 1.00 42.40 C ATOM 643 CD2 LEU A 41 0.310 0.631 -3.376 1.00 11.22 C ATOM 0 H LEU A 41 -0.419 -0.250 -7.398 1.00 33.02 H new ATOM 0 HA LEU A 41 1.263 1.369 -5.733 1.00 51.41 H new ATOM 0 HB2 LEU A 41 0.808 -1.622 -5.994 1.00 73.05 H new ATOM 0 HB3 LEU A 41 2.039 -0.976 -4.927 1.00 73.05 H new ATOM 0 HG LEU A 41 -0.954 -0.432 -4.735 1.00 23.24 H new ATOM 0 HD11 LEU A 41 -0.818 -1.742 -2.627 1.00 42.40 H new ATOM 0 HD12 LEU A 41 -0.353 -2.715 -4.043 1.00 42.40 H new ATOM 0 HD13 LEU A 41 0.899 -2.073 -2.954 1.00 42.40 H new ATOM 0 HD21 LEU A 41 -0.451 0.712 -2.599 1.00 11.22 H new ATOM 0 HD22 LEU A 41 1.290 0.517 -2.913 1.00 11.22 H new ATOM 0 HD23 LEU A 41 0.301 1.532 -3.989 1.00 11.22 H new ATOM 655 N ASN A 42 2.570 -0.201 -8.311 1.00 20.42 N ATOM 656 CA ASN A 42 3.757 -0.295 -9.179 1.00 12.44 C ATOM 657 C ASN A 42 4.140 1.115 -9.670 1.00 13.25 C ATOM 658 O ASN A 42 5.316 1.474 -9.668 1.00 1.04 O ATOM 659 CB ASN A 42 3.502 -1.266 -10.366 1.00 21.23 C ATOM 660 CG ASN A 42 4.765 -1.610 -11.170 1.00 65.23 C ATOM 661 OD1 ASN A 42 5.882 -1.610 -10.645 1.00 52.44 O ATOM 662 ND2 ASN A 42 4.590 -1.943 -12.435 1.00 60.21 N ATOM 0 H ASN A 42 1.724 -0.592 -8.726 1.00 20.42 H new ATOM 0 HA ASN A 42 4.591 -0.704 -8.609 1.00 12.44 H new ATOM 0 HB2 ASN A 42 3.065 -2.188 -9.981 1.00 21.23 H new ATOM 0 HB3 ASN A 42 2.767 -0.820 -11.036 1.00 21.23 H new ATOM 0 HD21 ASN A 42 5.391 -2.210 -13.008 1.00 60.21 H new ATOM 0 HD22 ASN A 42 3.654 -1.933 -12.840 1.00 60.21 H new ATOM 669 N GLU A 43 3.119 1.923 -10.041 1.00 12.34 N ATOM 670 CA GLU A 43 3.305 3.348 -10.396 1.00 52.33 C ATOM 671 C GLU A 43 3.837 4.139 -9.190 1.00 65.12 C ATOM 672 O GLU A 43 4.840 4.849 -9.286 1.00 72.03 O ATOM 673 CB GLU A 43 1.966 3.972 -10.871 1.00 63.34 C ATOM 674 CG GLU A 43 1.390 3.363 -12.154 1.00 32.02 C ATOM 675 CD GLU A 43 2.303 3.552 -13.379 1.00 5.24 C ATOM 676 OE1 GLU A 43 2.376 4.689 -13.900 1.00 40.44 O ATOM 677 OE2 GLU A 43 2.950 2.582 -13.826 1.00 45.22 O ATOM 0 H GLU A 43 2.151 1.608 -10.102 1.00 12.34 H new ATOM 0 HA GLU A 43 4.031 3.400 -11.207 1.00 52.33 H new ATOM 0 HB2 GLU A 43 1.230 3.867 -10.074 1.00 63.34 H new ATOM 0 HB3 GLU A 43 2.115 5.040 -11.028 1.00 63.34 H new ATOM 0 HG2 GLU A 43 1.219 2.298 -11.998 1.00 32.02 H new ATOM 0 HG3 GLU A 43 0.420 3.815 -12.359 1.00 32.02 H new ATOM 684 N LEU A 44 3.145 3.953 -8.050 1.00 11.13 N ATOM 685 CA LEU A 44 3.407 4.657 -6.783 1.00 33.30 C ATOM 686 C LEU A 44 4.851 4.426 -6.297 1.00 61.32 C ATOM 687 O LEU A 44 5.498 5.345 -5.781 1.00 45.54 O ATOM 688 CB LEU A 44 2.403 4.158 -5.717 1.00 34.42 C ATOM 689 CG LEU A 44 2.495 4.821 -4.320 1.00 25.30 C ATOM 690 CD1 LEU A 44 2.227 6.333 -4.406 1.00 50.04 C ATOM 691 CD2 LEU A 44 1.546 4.130 -3.324 1.00 50.41 C ATOM 0 H LEU A 44 2.370 3.293 -7.984 1.00 11.13 H new ATOM 0 HA LEU A 44 3.283 5.728 -6.945 1.00 33.30 H new ATOM 0 HB2 LEU A 44 1.394 4.309 -6.101 1.00 34.42 H new ATOM 0 HB3 LEU A 44 2.540 3.084 -5.595 1.00 34.42 H new ATOM 0 HG LEU A 44 3.512 4.694 -3.948 1.00 25.30 H new ATOM 0 HD11 LEU A 44 2.298 6.772 -3.411 1.00 50.04 H new ATOM 0 HD12 LEU A 44 2.965 6.797 -5.061 1.00 50.04 H new ATOM 0 HD13 LEU A 44 1.228 6.503 -4.807 1.00 50.04 H new ATOM 0 HD21 LEU A 44 1.627 4.612 -2.350 1.00 50.41 H new ATOM 0 HD22 LEU A 44 0.520 4.210 -3.684 1.00 50.41 H new ATOM 0 HD23 LEU A 44 1.818 3.078 -3.232 1.00 50.41 H new ATOM 703 N LYS A 45 5.328 3.185 -6.509 1.00 33.13 N ATOM 704 CA LYS A 45 6.670 2.727 -6.114 1.00 71.43 C ATOM 705 C LYS A 45 7.771 3.636 -6.705 1.00 11.33 C ATOM 706 O LYS A 45 8.764 3.914 -6.035 1.00 11.32 O ATOM 707 CB LYS A 45 6.850 1.255 -6.567 1.00 22.04 C ATOM 708 CG LYS A 45 8.199 0.603 -6.199 1.00 65.13 C ATOM 709 CD LYS A 45 8.268 -0.895 -6.585 1.00 2.53 C ATOM 710 CE LYS A 45 8.067 -1.141 -8.093 1.00 43.44 C ATOM 711 NZ LYS A 45 7.983 -2.594 -8.416 1.00 1.03 N ATOM 0 H LYS A 45 4.779 2.459 -6.969 1.00 33.13 H new ATOM 0 HA LYS A 45 6.766 2.784 -5.030 1.00 71.43 H new ATOM 0 HB2 LYS A 45 6.048 0.659 -6.131 1.00 22.04 H new ATOM 0 HB3 LYS A 45 6.728 1.210 -7.649 1.00 22.04 H new ATOM 0 HG2 LYS A 45 9.005 1.140 -6.699 1.00 65.13 H new ATOM 0 HG3 LYS A 45 8.366 0.705 -5.127 1.00 65.13 H new ATOM 0 HD2 LYS A 45 9.235 -1.298 -6.283 1.00 2.53 H new ATOM 0 HD3 LYS A 45 7.507 -1.443 -6.029 1.00 2.53 H new ATOM 0 HE2 LYS A 45 7.155 -0.643 -8.423 1.00 43.44 H new ATOM 0 HE3 LYS A 45 8.893 -0.694 -8.646 1.00 43.44 H new ATOM 0 HZ1 LYS A 45 8.542 -2.793 -9.270 1.00 1.03 H new ATOM 0 HZ2 LYS A 45 8.358 -3.149 -7.620 1.00 1.03 H new ATOM 0 HZ3 LYS A 45 6.990 -2.856 -8.583 1.00 1.03 H new ATOM 725 N ASP A 46 7.540 4.121 -7.941 1.00 32.12 N ATOM 726 CA ASP A 46 8.457 5.039 -8.649 1.00 25.44 C ATOM 727 C ASP A 46 8.491 6.426 -7.978 1.00 31.34 C ATOM 728 O ASP A 46 9.567 6.997 -7.789 1.00 42.12 O ATOM 729 CB ASP A 46 8.037 5.192 -10.132 1.00 40.43 C ATOM 730 CG ASP A 46 8.951 6.160 -10.912 1.00 73.12 C ATOM 731 OD1 ASP A 46 10.076 5.753 -11.284 1.00 40.42 O ATOM 732 OD2 ASP A 46 8.556 7.327 -11.157 1.00 3.43 O ATOM 0 H ASP A 46 6.707 3.886 -8.480 1.00 32.12 H new ATOM 0 HA ASP A 46 9.456 4.605 -8.600 1.00 25.44 H new ATOM 0 HB2 ASP A 46 8.055 4.214 -10.613 1.00 40.43 H new ATOM 0 HB3 ASP A 46 7.009 5.552 -10.179 1.00 40.43 H new ATOM 737 N TYR A 47 7.298 6.956 -7.640 1.00 12.12 N ATOM 738 CA TYR A 47 7.150 8.292 -7.014 1.00 74.11 C ATOM 739 C TYR A 47 7.859 8.368 -5.647 1.00 64.21 C ATOM 740 O TYR A 47 8.432 9.405 -5.285 1.00 13.12 O ATOM 741 CB TYR A 47 5.657 8.657 -6.864 1.00 13.14 C ATOM 742 CG TYR A 47 4.934 8.869 -8.201 1.00 30.23 C ATOM 743 CD1 TYR A 47 4.966 10.104 -8.852 1.00 51.22 C ATOM 744 CD2 TYR A 47 4.226 7.833 -8.810 1.00 2.55 C ATOM 745 CE1 TYR A 47 4.317 10.294 -10.058 1.00 13.13 C ATOM 746 CE2 TYR A 47 3.577 8.016 -10.015 1.00 23.21 C ATOM 747 CZ TYR A 47 3.623 9.248 -10.636 1.00 54.34 C ATOM 748 OH TYR A 47 2.971 9.438 -11.842 1.00 33.10 O ATOM 0 H TYR A 47 6.411 6.475 -7.791 1.00 12.12 H new ATOM 0 HA TYR A 47 7.629 9.015 -7.674 1.00 74.11 H new ATOM 0 HB2 TYR A 47 5.153 7.865 -6.311 1.00 13.14 H new ATOM 0 HB3 TYR A 47 5.573 9.566 -6.268 1.00 13.14 H new ATOM 0 HD1 TYR A 47 5.507 10.925 -8.406 1.00 51.22 H new ATOM 0 HD2 TYR A 47 4.185 6.867 -8.329 1.00 2.55 H new ATOM 0 HE1 TYR A 47 4.352 11.257 -10.547 1.00 13.13 H new ATOM 0 HE2 TYR A 47 3.036 7.199 -10.469 1.00 23.21 H new ATOM 0 HH TYR A 47 2.532 8.604 -12.112 1.00 33.10 H new ATOM 758 N ILE A 48 7.814 7.250 -4.904 1.00 61.32 N ATOM 759 CA ILE A 48 8.489 7.120 -3.605 1.00 24.32 C ATOM 760 C ILE A 48 10.019 6.951 -3.821 1.00 42.55 C ATOM 761 O ILE A 48 10.830 7.611 -3.159 1.00 22.02 O ATOM 762 CB ILE A 48 7.913 5.905 -2.785 1.00 24.44 C ATOM 763 CG1 ILE A 48 6.352 5.985 -2.670 1.00 31.23 C ATOM 764 CG2 ILE A 48 8.556 5.837 -1.381 1.00 70.14 C ATOM 765 CD1 ILE A 48 5.708 4.760 -2.031 1.00 13.42 C ATOM 0 H ILE A 48 7.308 6.411 -5.188 1.00 61.32 H new ATOM 0 HA ILE A 48 8.306 8.027 -3.029 1.00 24.32 H new ATOM 0 HB ILE A 48 8.164 4.992 -3.325 1.00 24.44 H new ATOM 0 HG12 ILE A 48 6.087 6.867 -2.087 1.00 31.23 H new ATOM 0 HG13 ILE A 48 5.932 6.124 -3.666 1.00 31.23 H new ATOM 0 HG21 ILE A 48 8.143 4.990 -0.832 1.00 70.14 H new ATOM 0 HG22 ILE A 48 9.634 5.714 -1.480 1.00 70.14 H new ATOM 0 HG23 ILE A 48 8.344 6.759 -0.839 1.00 70.14 H new ATOM 0 HD11 ILE A 48 4.627 4.897 -1.990 1.00 13.42 H new ATOM 0 HD12 ILE A 48 5.939 3.876 -2.625 1.00 13.42 H new ATOM 0 HD13 ILE A 48 6.096 4.630 -1.021 1.00 13.42 H new ATOM 777 N LYS A 49 10.378 6.091 -4.809 1.00 42.51 N ATOM 778 CA LYS A 49 11.784 5.782 -5.185 1.00 30.41 C ATOM 779 C LYS A 49 12.525 7.027 -5.712 1.00 42.53 C ATOM 780 O LYS A 49 13.751 7.110 -5.645 1.00 54.12 O ATOM 781 CB LYS A 49 11.805 4.690 -6.292 1.00 14.12 C ATOM 782 CG LYS A 49 13.210 4.136 -6.636 1.00 22.33 C ATOM 783 CD LYS A 49 13.225 3.294 -7.934 1.00 33.23 C ATOM 784 CE LYS A 49 12.786 4.107 -9.170 1.00 74.41 C ATOM 785 NZ LYS A 49 12.942 3.335 -10.433 1.00 23.24 N ATOM 0 H LYS A 49 9.693 5.587 -5.373 1.00 42.51 H new ATOM 0 HA LYS A 49 12.290 5.431 -4.286 1.00 30.41 H new ATOM 0 HB2 LYS A 49 11.171 3.861 -5.976 1.00 14.12 H new ATOM 0 HB3 LYS A 49 11.362 5.103 -7.198 1.00 14.12 H new ATOM 0 HG2 LYS A 49 13.907 4.967 -6.740 1.00 22.33 H new ATOM 0 HG3 LYS A 49 13.566 3.524 -5.808 1.00 22.33 H new ATOM 0 HD2 LYS A 49 14.229 2.903 -8.098 1.00 33.23 H new ATOM 0 HD3 LYS A 49 12.564 2.435 -7.814 1.00 33.23 H new ATOM 0 HE2 LYS A 49 11.744 4.406 -9.055 1.00 74.41 H new ATOM 0 HE3 LYS A 49 13.376 5.022 -9.230 1.00 74.41 H new ATOM 0 HZ1 LYS A 49 12.636 3.919 -11.237 1.00 23.24 H new ATOM 0 HZ2 LYS A 49 13.940 3.071 -10.557 1.00 23.24 H new ATOM 0 HZ3 LYS A 49 12.359 2.475 -10.388 1.00 23.24 H new ATOM 799 N LYS A 50 11.738 7.980 -6.233 1.00 43.33 N ATOM 800 CA LYS A 50 12.222 9.215 -6.876 1.00 20.41 C ATOM 801 C LYS A 50 13.065 10.090 -5.910 1.00 54.11 C ATOM 802 O LYS A 50 13.782 10.987 -6.356 1.00 53.32 O ATOM 803 CB LYS A 50 10.985 9.994 -7.402 1.00 61.14 C ATOM 804 CG LYS A 50 11.273 11.061 -8.486 1.00 64.35 C ATOM 805 CD LYS A 50 9.989 11.779 -8.968 1.00 4.32 C ATOM 806 CE LYS A 50 8.916 10.811 -9.516 1.00 2.33 C ATOM 807 NZ LYS A 50 9.402 10.014 -10.680 1.00 23.33 N ATOM 0 H LYS A 50 10.720 7.913 -6.219 1.00 43.33 H new ATOM 0 HA LYS A 50 12.887 8.955 -7.700 1.00 20.41 H new ATOM 0 HB2 LYS A 50 10.272 9.276 -7.806 1.00 61.14 H new ATOM 0 HB3 LYS A 50 10.501 10.483 -6.557 1.00 61.14 H new ATOM 0 HG2 LYS A 50 11.970 11.799 -8.089 1.00 64.35 H new ATOM 0 HG3 LYS A 50 11.761 10.587 -9.337 1.00 64.35 H new ATOM 0 HD2 LYS A 50 9.566 12.348 -8.140 1.00 4.32 H new ATOM 0 HD3 LYS A 50 10.252 12.496 -9.745 1.00 4.32 H new ATOM 0 HE2 LYS A 50 8.604 10.133 -8.721 1.00 2.33 H new ATOM 0 HE3 LYS A 50 8.036 11.381 -9.813 1.00 2.33 H new ATOM 0 HZ1 LYS A 50 9.184 9.009 -10.528 1.00 23.33 H new ATOM 0 HZ2 LYS A 50 8.931 10.343 -11.547 1.00 23.33 H new ATOM 0 HZ3 LYS A 50 10.430 10.134 -10.778 1.00 23.33 H new ATOM 821 N GLN A 51 12.936 9.817 -4.585 1.00 32.33 N ATOM 822 CA GLN A 51 13.730 10.456 -3.498 1.00 22.53 C ATOM 823 C GLN A 51 13.289 11.912 -3.228 1.00 65.43 C ATOM 824 O GLN A 51 13.980 12.656 -2.524 1.00 2.52 O ATOM 825 CB GLN A 51 15.273 10.348 -3.747 1.00 35.10 C ATOM 826 CG GLN A 51 15.808 8.899 -3.810 1.00 72.23 C ATOM 827 CD GLN A 51 17.320 8.823 -4.050 1.00 71.12 C ATOM 828 OE1 GLN A 51 18.114 8.806 -3.109 1.00 42.40 O ATOM 829 NE2 GLN A 51 17.733 8.790 -5.309 1.00 73.43 N ATOM 0 H GLN A 51 12.265 9.134 -4.234 1.00 32.33 H new ATOM 0 HA GLN A 51 13.518 9.891 -2.590 1.00 22.53 H new ATOM 0 HB2 GLN A 51 15.514 10.853 -4.682 1.00 35.10 H new ATOM 0 HB3 GLN A 51 15.795 10.881 -2.953 1.00 35.10 H new ATOM 0 HG2 GLN A 51 15.569 8.389 -2.877 1.00 72.23 H new ATOM 0 HG3 GLN A 51 15.293 8.363 -4.607 1.00 72.23 H new ATOM 0 HE21 GLN A 51 17.053 8.805 -6.069 1.00 73.43 H new ATOM 0 HE22 GLN A 51 18.731 8.749 -5.518 1.00 73.43 H new ATOM 838 N GLY A 52 12.119 12.294 -3.771 1.00 52.12 N ATOM 839 CA GLY A 52 11.453 13.548 -3.396 1.00 23.15 C ATOM 840 C GLY A 52 10.736 13.420 -2.059 1.00 2.33 C ATOM 841 O GLY A 52 10.546 14.410 -1.341 1.00 62.11 O ATOM 0 H GLY A 52 11.617 11.749 -4.472 1.00 52.12 H new ATOM 0 HA2 GLY A 52 12.189 14.350 -3.340 1.00 23.15 H new ATOM 0 HA3 GLY A 52 10.737 13.826 -4.169 1.00 23.15 H new ATOM 845 N CYS A 53 10.345 12.177 -1.739 1.00 24.32 N ATOM 846 CA CYS A 53 9.643 11.822 -0.502 1.00 53.54 C ATOM 847 C CYS A 53 10.657 11.631 0.642 1.00 4.34 C ATOM 848 O CYS A 53 11.298 10.580 0.729 1.00 62.14 O ATOM 849 CB CYS A 53 8.841 10.529 -0.760 1.00 54.13 C ATOM 850 SG CYS A 53 7.845 10.612 -2.265 1.00 74.22 S ATOM 0 H CYS A 53 10.513 11.376 -2.348 1.00 24.32 H new ATOM 0 HA CYS A 53 8.960 12.618 -0.205 1.00 53.54 H new ATOM 0 HB2 CYS A 53 9.530 9.688 -0.832 1.00 54.13 H new ATOM 0 HB3 CYS A 53 8.189 10.335 0.092 1.00 54.13 H new ATOM 0 HG CYS A 53 6.663 10.125 -2.030 1.00 74.22 H new ATOM 856 N LYS A 54 10.829 12.677 1.476 1.00 51.32 N ATOM 857 CA LYS A 54 11.794 12.669 2.604 1.00 72.35 C ATOM 858 C LYS A 54 11.433 11.565 3.617 1.00 33.53 C ATOM 859 O LYS A 54 12.264 10.721 3.959 1.00 11.20 O ATOM 860 CB LYS A 54 11.832 14.065 3.278 1.00 51.21 C ATOM 861 CG LYS A 54 12.872 14.216 4.410 1.00 32.11 C ATOM 862 CD LYS A 54 12.930 15.660 4.957 1.00 13.34 C ATOM 863 CE LYS A 54 14.012 15.855 6.022 1.00 51.54 C ATOM 864 NZ LYS A 54 14.049 17.257 6.512 1.00 23.41 N ATOM 0 H LYS A 54 10.307 13.549 1.391 1.00 51.32 H new ATOM 0 HA LYS A 54 12.790 12.450 2.219 1.00 72.35 H new ATOM 0 HB2 LYS A 54 12.037 14.815 2.514 1.00 51.21 H new ATOM 0 HB3 LYS A 54 10.843 14.284 3.682 1.00 51.21 H new ATOM 0 HG2 LYS A 54 12.626 13.531 5.221 1.00 32.11 H new ATOM 0 HG3 LYS A 54 13.856 13.930 4.038 1.00 32.11 H new ATOM 0 HD2 LYS A 54 13.113 16.348 4.131 1.00 13.34 H new ATOM 0 HD3 LYS A 54 11.960 15.921 5.381 1.00 13.34 H new ATOM 0 HE2 LYS A 54 13.826 15.181 6.858 1.00 51.54 H new ATOM 0 HE3 LYS A 54 14.984 15.588 5.607 1.00 51.54 H new ATOM 0 HZ1 LYS A 54 14.793 17.354 7.232 1.00 23.41 H new ATOM 0 HZ2 LYS A 54 14.251 17.897 5.718 1.00 23.41 H new ATOM 0 HZ3 LYS A 54 13.129 17.503 6.930 1.00 23.41 H new ATOM 878 N ARG A 55 10.185 11.587 4.083 1.00 63.51 N ATOM 879 CA ARG A 55 9.569 10.478 4.829 1.00 33.52 C ATOM 880 C ARG A 55 8.463 9.901 3.935 1.00 14.11 C ATOM 881 O ARG A 55 7.821 10.661 3.198 1.00 71.32 O ATOM 882 CB ARG A 55 8.994 10.981 6.186 1.00 0.03 C ATOM 883 CG ARG A 55 8.490 9.882 7.168 1.00 52.41 C ATOM 884 CD ARG A 55 9.624 9.137 7.904 1.00 41.51 C ATOM 885 NE ARG A 55 10.513 8.378 7.000 1.00 52.13 N ATOM 886 CZ ARG A 55 11.861 8.329 7.071 1.00 41.23 C ATOM 887 NH1 ARG A 55 12.526 9.009 8.006 1.00 35.33 N ATOM 888 NH2 ARG A 55 12.543 7.601 6.196 1.00 61.25 N ATOM 0 H ARG A 55 9.561 12.383 3.954 1.00 63.51 H new ATOM 0 HA ARG A 55 10.305 9.710 5.068 1.00 33.52 H new ATOM 0 HB2 ARG A 55 9.765 11.564 6.690 1.00 0.03 H new ATOM 0 HB3 ARG A 55 8.167 11.660 5.977 1.00 0.03 H new ATOM 0 HG2 ARG A 55 7.831 10.341 7.905 1.00 52.41 H new ATOM 0 HG3 ARG A 55 7.893 9.158 6.613 1.00 52.41 H new ATOM 0 HD2 ARG A 55 10.219 9.859 8.464 1.00 41.51 H new ATOM 0 HD3 ARG A 55 9.187 8.452 8.630 1.00 41.51 H new ATOM 0 HE ARG A 55 10.068 7.842 6.255 1.00 52.13 H new ATOM 0 HH11 ARG A 55 12.016 9.578 8.682 1.00 35.33 H new ATOM 0 HH12 ARG A 55 13.544 8.960 8.045 1.00 35.33 H new ATOM 0 HH21 ARG A 55 12.049 7.080 5.471 1.00 61.25 H new ATOM 0 HH22 ARG A 55 13.561 7.563 6.248 1.00 61.25 H new ATOM 902 N SER A 56 8.247 8.576 3.978 1.00 40.02 N ATOM 903 CA SER A 56 7.246 7.914 3.119 1.00 50.01 C ATOM 904 C SER A 56 6.369 6.947 3.931 1.00 30.05 C ATOM 905 O SER A 56 6.878 6.124 4.704 1.00 3.03 O ATOM 906 CB SER A 56 7.940 7.187 1.942 1.00 60.32 C ATOM 907 OG SER A 56 8.886 6.226 2.384 1.00 21.13 O ATOM 0 H SER A 56 8.751 7.941 4.597 1.00 40.02 H new ATOM 0 HA SER A 56 6.590 8.681 2.707 1.00 50.01 H new ATOM 0 HB2 SER A 56 7.186 6.695 1.327 1.00 60.32 H new ATOM 0 HB3 SER A 56 8.439 7.920 1.309 1.00 60.32 H new ATOM 0 HG SER A 56 9.298 5.791 1.608 1.00 21.13 H new ATOM 913 N ARG A 57 5.053 7.063 3.728 1.00 42.40 N ATOM 914 CA ARG A 57 4.024 6.247 4.383 1.00 21.52 C ATOM 915 C ARG A 57 3.012 5.822 3.330 1.00 51.22 C ATOM 916 O ARG A 57 2.545 6.664 2.582 1.00 63.11 O ATOM 917 CB ARG A 57 3.297 7.076 5.479 1.00 33.30 C ATOM 918 CG ARG A 57 2.022 6.429 6.058 1.00 4.13 C ATOM 919 CD ARG A 57 1.242 7.373 6.987 1.00 64.05 C ATOM 920 NE ARG A 57 2.016 7.751 8.183 1.00 50.03 N ATOM 921 CZ ARG A 57 1.505 7.900 9.416 1.00 34.22 C ATOM 922 NH1 ARG A 57 0.204 7.709 9.656 1.00 5.02 N ATOM 923 NH2 ARG A 57 2.298 8.261 10.409 1.00 63.12 N ATOM 0 H ARG A 57 4.661 7.749 3.083 1.00 42.40 H new ATOM 0 HA ARG A 57 4.488 5.377 4.849 1.00 21.52 H new ATOM 0 HB2 ARG A 57 3.995 7.259 6.296 1.00 33.30 H new ATOM 0 HB3 ARG A 57 3.034 8.048 5.061 1.00 33.30 H new ATOM 0 HG2 ARG A 57 1.375 6.117 5.239 1.00 4.13 H new ATOM 0 HG3 ARG A 57 2.295 5.529 6.609 1.00 4.13 H new ATOM 0 HD2 ARG A 57 0.966 8.273 6.437 1.00 64.05 H new ATOM 0 HD3 ARG A 57 0.315 6.890 7.295 1.00 64.05 H new ATOM 0 HE ARG A 57 3.016 7.912 8.065 1.00 50.03 H new ATOM 0 HH11 ARG A 57 -0.422 7.445 8.895 1.00 5.02 H new ATOM 0 HH12 ARG A 57 -0.163 7.827 10.600 1.00 5.02 H new ATOM 0 HH21 ARG A 57 3.290 8.424 10.236 1.00 63.12 H new ATOM 0 HH22 ARG A 57 1.918 8.377 11.349 1.00 63.12 H new ATOM 937 N THR A 58 2.679 4.530 3.255 1.00 3.31 N ATOM 938 CA THR A 58 1.570 4.050 2.421 1.00 33.10 C ATOM 939 C THR A 58 0.524 3.392 3.320 1.00 4.22 C ATOM 940 O THR A 58 0.847 2.506 4.117 1.00 12.23 O ATOM 941 CB THR A 58 2.034 3.036 1.334 1.00 40.40 C ATOM 942 OG1 THR A 58 3.238 3.502 0.704 1.00 41.54 O ATOM 943 CG2 THR A 58 0.948 2.808 0.259 1.00 14.54 C ATOM 0 H THR A 58 3.165 3.792 3.765 1.00 3.31 H new ATOM 0 HA THR A 58 1.150 4.910 1.899 1.00 33.10 H new ATOM 0 HB THR A 58 2.221 2.086 1.835 1.00 40.40 H new ATOM 0 HG1 THR A 58 3.976 3.474 1.348 1.00 41.54 H new ATOM 0 HG21 THR A 58 1.312 2.094 -0.480 1.00 14.54 H new ATOM 0 HG22 THR A 58 0.047 2.415 0.730 1.00 14.54 H new ATOM 0 HG23 THR A 58 0.718 3.754 -0.232 1.00 14.54 H new ATOM 951 N SER A 59 -0.720 3.847 3.199 1.00 45.02 N ATOM 952 CA SER A 59 -1.860 3.304 3.928 1.00 22.02 C ATOM 953 C SER A 59 -2.836 2.689 2.918 1.00 4.31 C ATOM 954 O SER A 59 -3.345 3.385 2.042 1.00 45.35 O ATOM 955 CB SER A 59 -2.512 4.447 4.734 1.00 54.23 C ATOM 956 OG SER A 59 -1.564 5.048 5.597 1.00 41.02 O ATOM 0 H SER A 59 -0.968 4.618 2.579 1.00 45.02 H new ATOM 0 HA SER A 59 -1.556 2.524 4.626 1.00 22.02 H new ATOM 0 HB2 SER A 59 -2.918 5.195 4.053 1.00 54.23 H new ATOM 0 HB3 SER A 59 -3.348 4.059 5.316 1.00 54.23 H new ATOM 0 HG SER A 59 -1.571 4.588 6.462 1.00 41.02 H new ATOM 962 N ILE A 60 -3.077 1.382 3.035 1.00 2.24 N ATOM 963 CA ILE A 60 -3.973 0.626 2.137 1.00 21.31 C ATOM 964 C ILE A 60 -5.187 0.144 2.941 1.00 15.02 C ATOM 965 O ILE A 60 -5.010 -0.473 3.987 1.00 11.45 O ATOM 966 CB ILE A 60 -3.230 -0.616 1.501 1.00 72.21 C ATOM 967 CG1 ILE A 60 -1.984 -0.158 0.682 1.00 50.45 C ATOM 968 CG2 ILE A 60 -4.185 -1.474 0.629 1.00 2.44 C ATOM 969 CD1 ILE A 60 -1.167 -1.293 0.082 1.00 52.25 C ATOM 0 H ILE A 60 -2.654 0.805 3.762 1.00 2.24 H new ATOM 0 HA ILE A 60 -4.290 1.280 1.325 1.00 21.31 H new ATOM 0 HB ILE A 60 -2.887 -1.247 2.321 1.00 72.21 H new ATOM 0 HG12 ILE A 60 -2.316 0.498 -0.123 1.00 50.45 H new ATOM 0 HG13 ILE A 60 -1.338 0.434 1.330 1.00 50.45 H new ATOM 0 HG21 ILE A 60 -3.636 -2.317 0.210 1.00 2.44 H new ATOM 0 HG22 ILE A 60 -5.005 -1.844 1.244 1.00 2.44 H new ATOM 0 HG23 ILE A 60 -4.585 -0.864 -0.181 1.00 2.44 H new ATOM 0 HD11 ILE A 60 -0.322 -0.881 -0.469 1.00 52.25 H new ATOM 0 HD12 ILE A 60 -0.800 -1.938 0.880 1.00 52.25 H new ATOM 0 HD13 ILE A 60 -1.793 -1.874 -0.595 1.00 52.25 H new ATOM 981 N THR A 61 -6.410 0.440 2.466 1.00 50.10 N ATOM 982 CA THR A 61 -7.641 -0.001 3.137 1.00 4.30 C ATOM 983 C THR A 61 -7.736 -1.547 3.152 1.00 1.12 C ATOM 984 O THR A 61 -7.807 -2.195 2.105 1.00 23.04 O ATOM 985 CB THR A 61 -8.890 0.635 2.471 1.00 12.31 C ATOM 986 OG1 THR A 61 -8.834 2.062 2.625 1.00 2.11 O ATOM 987 CG2 THR A 61 -10.224 0.113 3.044 1.00 41.35 C ATOM 0 H THR A 61 -6.570 0.984 1.618 1.00 50.10 H new ATOM 0 HA THR A 61 -7.607 0.339 4.172 1.00 4.30 H new ATOM 0 HB THR A 61 -8.866 0.351 1.419 1.00 12.31 H new ATOM 0 HG1 THR A 61 -8.023 2.406 2.195 1.00 2.11 H new ATOM 0 HG21 THR A 61 -11.055 0.600 2.533 1.00 41.35 H new ATOM 0 HG22 THR A 61 -10.287 -0.965 2.894 1.00 41.35 H new ATOM 0 HG23 THR A 61 -10.274 0.335 4.110 1.00 41.35 H new ATOM 995 N ALA A 62 -7.692 -2.097 4.367 1.00 34.12 N ATOM 996 CA ALA A 62 -7.697 -3.530 4.630 1.00 60.01 C ATOM 997 C ALA A 62 -8.577 -3.780 5.856 1.00 62.12 C ATOM 998 O ALA A 62 -8.100 -3.853 6.989 1.00 44.34 O ATOM 999 CB ALA A 62 -6.260 -4.017 4.841 1.00 51.43 C ATOM 0 H ALA A 62 -7.651 -1.537 5.218 1.00 34.12 H new ATOM 0 HA ALA A 62 -8.104 -4.088 3.787 1.00 60.01 H new ATOM 0 HB1 ALA A 62 -6.264 -5.089 5.038 1.00 51.43 H new ATOM 0 HB2 ALA A 62 -5.672 -3.815 3.946 1.00 51.43 H new ATOM 0 HB3 ALA A 62 -5.820 -3.494 5.690 1.00 51.43 H new ATOM 1005 N ARG A 63 -9.891 -3.806 5.603 1.00 51.41 N ATOM 1006 CA ARG A 63 -10.926 -3.855 6.653 1.00 32.33 C ATOM 1007 C ARG A 63 -11.106 -5.265 7.231 1.00 31.41 C ATOM 1008 O ARG A 63 -11.455 -5.434 8.402 1.00 21.41 O ATOM 1009 CB ARG A 63 -12.259 -3.306 6.080 1.00 54.01 C ATOM 1010 CG ARG A 63 -12.778 -4.029 4.816 1.00 13.41 C ATOM 1011 CD ARG A 63 -14.007 -3.334 4.203 1.00 52.03 C ATOM 1012 NE ARG A 63 -15.158 -3.310 5.131 1.00 1.45 N ATOM 1013 CZ ARG A 63 -15.836 -2.204 5.509 1.00 3.44 C ATOM 1014 NH1 ARG A 63 -15.490 -1.007 5.050 1.00 64.41 N ATOM 1015 NH2 ARG A 63 -16.848 -2.308 6.358 1.00 4.54 N ATOM 0 H ARG A 63 -10.273 -3.794 4.657 1.00 51.41 H new ATOM 0 HA ARG A 63 -10.602 -3.228 7.484 1.00 32.33 H new ATOM 0 HB2 ARG A 63 -13.023 -3.369 6.855 1.00 54.01 H new ATOM 0 HB3 ARG A 63 -12.128 -2.249 5.847 1.00 54.01 H new ATOM 0 HG2 ARG A 63 -11.981 -4.073 4.073 1.00 13.41 H new ATOM 0 HG3 ARG A 63 -13.035 -5.058 5.069 1.00 13.41 H new ATOM 0 HD2 ARG A 63 -13.744 -2.313 3.927 1.00 52.03 H new ATOM 0 HD3 ARG A 63 -14.293 -3.849 3.286 1.00 52.03 H new ATOM 0 HE ARG A 63 -15.466 -4.202 5.518 1.00 1.45 H new ATOM 0 HH11 ARG A 63 -14.705 -0.915 4.405 1.00 64.41 H new ATOM 0 HH12 ARG A 63 -16.009 -0.179 5.342 1.00 64.41 H new ATOM 0 HH21 ARG A 63 -17.114 -3.222 6.725 1.00 4.54 H new ATOM 0 HH22 ARG A 63 -17.361 -1.474 6.645 1.00 4.54 H new ATOM 1029 N THR A 64 -10.870 -6.263 6.386 1.00 34.42 N ATOM 1030 CA THR A 64 -10.936 -7.684 6.739 1.00 62.45 C ATOM 1031 C THR A 64 -9.518 -8.231 7.006 1.00 25.11 C ATOM 1032 O THR A 64 -8.541 -7.709 6.455 1.00 72.24 O ATOM 1033 CB THR A 64 -11.645 -8.459 5.581 1.00 12.33 C ATOM 1034 OG1 THR A 64 -11.264 -7.886 4.322 1.00 54.14 O ATOM 1035 CG2 THR A 64 -13.176 -8.413 5.703 1.00 61.21 C ATOM 0 H THR A 64 -10.621 -6.106 5.410 1.00 34.42 H new ATOM 0 HA THR A 64 -11.513 -7.819 7.654 1.00 62.45 H new ATOM 0 HB THR A 64 -11.333 -9.501 5.646 1.00 12.33 H new ATOM 0 HG1 THR A 64 -11.072 -8.602 3.681 1.00 54.14 H new ATOM 0 HG21 THR A 64 -13.624 -8.965 4.876 1.00 61.21 H new ATOM 0 HG22 THR A 64 -13.479 -8.865 6.647 1.00 61.21 H new ATOM 0 HG23 THR A 64 -13.513 -7.377 5.672 1.00 61.21 H new ATOM 1043 N LYS A 65 -9.431 -9.288 7.850 1.00 52.32 N ATOM 1044 CA LYS A 65 -8.147 -9.819 8.362 1.00 61.14 C ATOM 1045 C LYS A 65 -7.298 -10.454 7.245 1.00 4.22 C ATOM 1046 O LYS A 65 -6.090 -10.230 7.186 1.00 2.22 O ATOM 1047 CB LYS A 65 -8.386 -10.859 9.498 1.00 42.21 C ATOM 1048 CG LYS A 65 -9.166 -10.310 10.717 1.00 62.04 C ATOM 1049 CD LYS A 65 -9.292 -11.331 11.875 1.00 74.24 C ATOM 1050 CE LYS A 65 -10.088 -12.594 11.495 1.00 12.52 C ATOM 1051 NZ LYS A 65 -11.461 -12.273 11.017 1.00 0.14 N ATOM 0 H LYS A 65 -10.247 -9.794 8.193 1.00 52.32 H new ATOM 0 HA LYS A 65 -7.595 -8.970 8.765 1.00 61.14 H new ATOM 0 HB2 LYS A 65 -8.931 -11.709 9.087 1.00 42.21 H new ATOM 0 HB3 LYS A 65 -7.421 -11.234 9.839 1.00 42.21 H new ATOM 0 HG2 LYS A 65 -8.667 -9.414 11.085 1.00 62.04 H new ATOM 0 HG3 LYS A 65 -10.164 -10.010 10.396 1.00 62.04 H new ATOM 0 HD2 LYS A 65 -8.294 -11.624 12.201 1.00 74.24 H new ATOM 0 HD3 LYS A 65 -9.775 -10.848 12.724 1.00 74.24 H new ATOM 0 HE2 LYS A 65 -9.553 -13.138 10.717 1.00 12.52 H new ATOM 0 HE3 LYS A 65 -10.152 -13.255 12.360 1.00 12.52 H new ATOM 0 HZ1 LYS A 65 -11.998 -13.154 10.886 1.00 0.14 H new ATOM 0 HZ2 LYS A 65 -11.942 -11.675 11.719 1.00 0.14 H new ATOM 0 HZ3 LYS A 65 -11.403 -11.765 10.111 1.00 0.14 H new ATOM 1065 N LYS A 66 -7.952 -11.243 6.367 1.00 64.44 N ATOM 1066 CA LYS A 66 -7.282 -11.922 5.230 1.00 2.43 C ATOM 1067 C LYS A 66 -6.722 -10.900 4.234 1.00 22.04 C ATOM 1068 O LYS A 66 -5.619 -11.065 3.702 1.00 44.13 O ATOM 1069 CB LYS A 66 -8.270 -12.878 4.519 1.00 73.33 C ATOM 1070 CG LYS A 66 -8.788 -14.021 5.416 1.00 71.24 C ATOM 1071 CD LYS A 66 -9.757 -14.966 4.679 1.00 55.13 C ATOM 1072 CE LYS A 66 -9.123 -15.636 3.443 1.00 23.32 C ATOM 1073 NZ LYS A 66 -7.892 -16.405 3.788 1.00 62.22 N ATOM 0 H LYS A 66 -8.953 -11.429 6.422 1.00 64.44 H new ATOM 0 HA LYS A 66 -6.449 -12.504 5.624 1.00 2.43 H new ATOM 0 HB2 LYS A 66 -9.120 -12.301 4.155 1.00 73.33 H new ATOM 0 HB3 LYS A 66 -7.779 -13.308 3.646 1.00 73.33 H new ATOM 0 HG2 LYS A 66 -7.941 -14.596 5.790 1.00 71.24 H new ATOM 0 HG3 LYS A 66 -9.292 -13.596 6.284 1.00 71.24 H new ATOM 0 HD2 LYS A 66 -10.098 -15.738 5.369 1.00 55.13 H new ATOM 0 HD3 LYS A 66 -10.638 -14.404 4.369 1.00 55.13 H new ATOM 0 HE2 LYS A 66 -9.850 -16.305 2.982 1.00 23.32 H new ATOM 0 HE3 LYS A 66 -8.878 -14.873 2.704 1.00 23.32 H new ATOM 0 HZ1 LYS A 66 -7.548 -16.907 2.944 1.00 62.22 H new ATOM 0 HZ2 LYS A 66 -7.157 -15.751 4.125 1.00 62.22 H new ATOM 0 HZ3 LYS A 66 -8.111 -17.094 4.535 1.00 62.22 H new ATOM 1087 N GLU A 67 -7.510 -9.841 4.008 1.00 73.31 N ATOM 1088 CA GLU A 67 -7.129 -8.710 3.154 1.00 33.53 C ATOM 1089 C GLU A 67 -5.976 -7.913 3.790 1.00 52.42 C ATOM 1090 O GLU A 67 -5.090 -7.439 3.080 1.00 34.51 O ATOM 1091 CB GLU A 67 -8.366 -7.815 2.866 1.00 15.22 C ATOM 1092 CG GLU A 67 -9.318 -8.363 1.764 1.00 70.40 C ATOM 1093 CD GLU A 67 -9.703 -9.853 1.912 1.00 50.15 C ATOM 1094 OE1 GLU A 67 -10.382 -10.217 2.894 1.00 41.41 O ATOM 1095 OE2 GLU A 67 -9.346 -10.666 1.040 1.00 12.23 O ATOM 0 H GLU A 67 -8.439 -9.745 4.417 1.00 73.31 H new ATOM 0 HA GLU A 67 -6.767 -9.091 2.199 1.00 33.53 H new ATOM 0 HB2 GLU A 67 -8.932 -7.692 3.789 1.00 15.22 H new ATOM 0 HB3 GLU A 67 -8.021 -6.824 2.570 1.00 15.22 H new ATOM 0 HG2 GLU A 67 -10.230 -7.766 1.764 1.00 70.40 H new ATOM 0 HG3 GLU A 67 -8.844 -8.221 0.793 1.00 70.40 H new ATOM 1102 N ALA A 68 -5.976 -7.821 5.132 1.00 44.52 N ATOM 1103 CA ALA A 68 -4.908 -7.144 5.897 1.00 75.03 C ATOM 1104 C ALA A 68 -3.563 -7.847 5.698 1.00 63.21 C ATOM 1105 O ALA A 68 -2.535 -7.190 5.575 1.00 14.34 O ATOM 1106 CB ALA A 68 -5.272 -7.063 7.384 1.00 30.40 C ATOM 0 H ALA A 68 -6.714 -8.212 5.718 1.00 44.52 H new ATOM 0 HA ALA A 68 -4.812 -6.127 5.518 1.00 75.03 H new ATOM 0 HB1 ALA A 68 -4.472 -6.561 7.928 1.00 30.40 H new ATOM 0 HB2 ALA A 68 -6.199 -6.501 7.502 1.00 30.40 H new ATOM 0 HB3 ALA A 68 -5.405 -8.069 7.781 1.00 30.40 H new ATOM 1112 N GLU A 69 -3.607 -9.184 5.629 1.00 44.55 N ATOM 1113 CA GLU A 69 -2.414 -10.026 5.430 1.00 24.34 C ATOM 1114 C GLU A 69 -1.898 -9.931 3.985 1.00 13.51 C ATOM 1115 O GLU A 69 -0.692 -9.790 3.757 1.00 61.15 O ATOM 1116 CB GLU A 69 -2.753 -11.496 5.797 1.00 23.15 C ATOM 1117 CG GLU A 69 -3.188 -11.709 7.264 1.00 62.23 C ATOM 1118 CD GLU A 69 -2.051 -11.512 8.290 1.00 13.15 C ATOM 1119 OE1 GLU A 69 -1.714 -10.358 8.625 1.00 61.22 O ATOM 1120 OE2 GLU A 69 -1.484 -12.522 8.770 1.00 43.53 O ATOM 0 H GLU A 69 -4.473 -9.717 5.710 1.00 44.55 H new ATOM 0 HA GLU A 69 -1.619 -9.666 6.083 1.00 24.34 H new ATOM 0 HB2 GLU A 69 -3.550 -11.846 5.141 1.00 23.15 H new ATOM 0 HB3 GLU A 69 -1.880 -12.117 5.597 1.00 23.15 H new ATOM 0 HG2 GLU A 69 -3.997 -11.017 7.496 1.00 62.23 H new ATOM 0 HG3 GLU A 69 -3.590 -12.717 7.371 1.00 62.23 H new ATOM 1127 N LYS A 70 -2.830 -9.987 3.012 1.00 31.20 N ATOM 1128 CA LYS A 70 -2.479 -10.094 1.584 1.00 24.05 C ATOM 1129 C LYS A 70 -2.039 -8.731 0.996 1.00 4.32 C ATOM 1130 O LYS A 70 -1.212 -8.694 0.085 1.00 35.21 O ATOM 1131 CB LYS A 70 -3.658 -10.734 0.784 1.00 52.41 C ATOM 1132 CG LYS A 70 -4.799 -9.776 0.353 1.00 15.04 C ATOM 1133 CD LYS A 70 -6.099 -10.501 -0.083 1.00 54.23 C ATOM 1134 CE LYS A 70 -5.888 -11.714 -1.012 1.00 70.14 C ATOM 1135 NZ LYS A 70 -5.126 -11.393 -2.240 1.00 12.41 N ATOM 0 H LYS A 70 -3.834 -9.960 3.192 1.00 31.20 H new ATOM 0 HA LYS A 70 -1.617 -10.755 1.491 1.00 24.05 H new ATOM 0 HB2 LYS A 70 -3.249 -11.203 -0.111 1.00 52.41 H new ATOM 0 HB3 LYS A 70 -4.091 -11.529 1.391 1.00 52.41 H new ATOM 0 HG2 LYS A 70 -5.029 -9.106 1.181 1.00 15.04 H new ATOM 0 HG3 LYS A 70 -4.447 -9.156 -0.471 1.00 15.04 H new ATOM 0 HD2 LYS A 70 -6.629 -10.834 0.810 1.00 54.23 H new ATOM 0 HD3 LYS A 70 -6.745 -9.783 -0.588 1.00 54.23 H new ATOM 0 HE2 LYS A 70 -5.363 -12.495 -0.462 1.00 70.14 H new ATOM 0 HE3 LYS A 70 -6.860 -12.120 -1.293 1.00 70.14 H new ATOM 0 HZ1 LYS A 70 -5.572 -11.857 -3.057 1.00 12.41 H new ATOM 0 HZ2 LYS A 70 -5.122 -10.363 -2.387 1.00 12.41 H new ATOM 0 HZ3 LYS A 70 -4.148 -11.733 -2.140 1.00 12.41 H new ATOM 1149 N PHE A 71 -2.590 -7.613 1.533 1.00 25.32 N ATOM 1150 CA PHE A 71 -2.219 -6.234 1.098 1.00 42.41 C ATOM 1151 C PHE A 71 -0.923 -5.785 1.777 1.00 11.41 C ATOM 1152 O PHE A 71 -0.118 -5.061 1.172 1.00 51.13 O ATOM 1153 CB PHE A 71 -3.355 -5.203 1.375 1.00 15.53 C ATOM 1154 CG PHE A 71 -4.663 -5.478 0.622 1.00 3.33 C ATOM 1155 CD1 PHE A 71 -4.658 -6.121 -0.621 1.00 0.22 C ATOM 1156 CD2 PHE A 71 -5.897 -5.115 1.163 1.00 73.34 C ATOM 1157 CE1 PHE A 71 -5.835 -6.386 -1.281 1.00 55.31 C ATOM 1158 CE2 PHE A 71 -7.076 -5.390 0.496 1.00 13.35 C ATOM 1159 CZ PHE A 71 -7.043 -6.029 -0.727 1.00 11.25 C ATOM 0 H PHE A 71 -3.295 -7.636 2.270 1.00 25.32 H new ATOM 0 HA PHE A 71 -2.065 -6.271 0.020 1.00 42.41 H new ATOM 0 HB2 PHE A 71 -3.563 -5.189 2.445 1.00 15.53 H new ATOM 0 HB3 PHE A 71 -2.999 -4.208 1.107 1.00 15.53 H new ATOM 0 HD1 PHE A 71 -3.719 -6.413 -1.067 1.00 0.22 H new ATOM 0 HD2 PHE A 71 -5.931 -4.611 2.118 1.00 73.34 H new ATOM 0 HE1 PHE A 71 -5.811 -6.878 -2.242 1.00 55.31 H new ATOM 0 HE2 PHE A 71 -8.022 -5.105 0.931 1.00 13.35 H new ATOM 0 HZ PHE A 71 -7.963 -6.248 -1.248 1.00 11.25 H new ATOM 1169 N ALA A 72 -0.741 -6.218 3.044 1.00 74.15 N ATOM 1170 CA ALA A 72 0.510 -6.005 3.782 1.00 24.41 C ATOM 1171 C ALA A 72 1.674 -6.682 3.045 1.00 55.41 C ATOM 1172 O ALA A 72 2.696 -6.059 2.840 1.00 42.43 O ATOM 1173 CB ALA A 72 0.409 -6.523 5.219 1.00 63.40 C ATOM 0 H ALA A 72 -1.454 -6.720 3.574 1.00 74.15 H new ATOM 0 HA ALA A 72 0.696 -4.932 3.833 1.00 24.41 H new ATOM 0 HB1 ALA A 72 1.353 -6.349 5.736 1.00 63.40 H new ATOM 0 HB2 ALA A 72 -0.392 -5.998 5.740 1.00 63.40 H new ATOM 0 HB3 ALA A 72 0.194 -7.592 5.206 1.00 63.40 H new ATOM 1179 N ALA A 73 1.461 -7.939 2.598 1.00 45.03 N ATOM 1180 CA ALA A 73 2.481 -8.726 1.871 1.00 51.31 C ATOM 1181 C ALA A 73 3.020 -7.951 0.647 1.00 25.13 C ATOM 1182 O ALA A 73 4.235 -7.790 0.495 1.00 2.43 O ATOM 1183 CB ALA A 73 1.901 -10.084 1.450 1.00 74.05 C ATOM 0 H ALA A 73 0.580 -8.435 2.731 1.00 45.03 H new ATOM 0 HA ALA A 73 3.321 -8.900 2.543 1.00 51.31 H new ATOM 0 HB1 ALA A 73 2.661 -10.654 0.916 1.00 74.05 H new ATOM 0 HB2 ALA A 73 1.589 -10.637 2.336 1.00 74.05 H new ATOM 0 HB3 ALA A 73 1.041 -9.926 0.799 1.00 74.05 H new ATOM 1189 N ILE A 74 2.079 -7.418 -0.164 1.00 43.32 N ATOM 1190 CA ILE A 74 2.389 -6.600 -1.353 1.00 41.32 C ATOM 1191 C ILE A 74 3.200 -5.348 -0.958 1.00 52.11 C ATOM 1192 O ILE A 74 4.230 -5.052 -1.563 1.00 21.34 O ATOM 1193 CB ILE A 74 1.072 -6.143 -2.087 1.00 1.13 C ATOM 1194 CG1 ILE A 74 0.210 -7.372 -2.505 1.00 33.31 C ATOM 1195 CG2 ILE A 74 1.389 -5.250 -3.316 1.00 32.21 C ATOM 1196 CD1 ILE A 74 -1.176 -7.017 -3.014 1.00 3.30 C ATOM 0 H ILE A 74 1.079 -7.545 -0.009 1.00 43.32 H new ATOM 0 HA ILE A 74 2.979 -7.220 -2.028 1.00 41.32 H new ATOM 0 HB ILE A 74 0.494 -5.546 -1.382 1.00 1.13 H new ATOM 0 HG12 ILE A 74 0.739 -7.925 -3.281 1.00 33.31 H new ATOM 0 HG13 ILE A 74 0.110 -8.040 -1.649 1.00 33.31 H new ATOM 0 HG21 ILE A 74 0.458 -4.952 -3.799 1.00 32.21 H new ATOM 0 HG22 ILE A 74 1.929 -4.361 -2.990 1.00 32.21 H new ATOM 0 HG23 ILE A 74 2.002 -5.808 -4.023 1.00 32.21 H new ATOM 0 HD11 ILE A 74 -1.709 -7.929 -3.283 1.00 3.30 H new ATOM 0 HD12 ILE A 74 -1.727 -6.491 -2.234 1.00 3.30 H new ATOM 0 HD13 ILE A 74 -1.088 -6.376 -3.891 1.00 3.30 H new ATOM 1208 N LEU A 75 2.726 -4.656 0.094 1.00 72.34 N ATOM 1209 CA LEU A 75 3.274 -3.360 0.525 1.00 12.42 C ATOM 1210 C LEU A 75 4.683 -3.509 1.145 1.00 23.24 C ATOM 1211 O LEU A 75 5.529 -2.617 1.006 1.00 32.23 O ATOM 1212 CB LEU A 75 2.292 -2.677 1.512 1.00 34.21 C ATOM 1213 CG LEU A 75 2.602 -1.190 1.847 1.00 15.50 C ATOM 1214 CD1 LEU A 75 2.770 -0.360 0.552 1.00 4.33 C ATOM 1215 CD2 LEU A 75 1.515 -0.590 2.768 1.00 10.14 C ATOM 0 H LEU A 75 1.950 -4.982 0.670 1.00 72.34 H new ATOM 0 HA LEU A 75 3.386 -2.726 -0.355 1.00 12.42 H new ATOM 0 HB2 LEU A 75 1.287 -2.735 1.095 1.00 34.21 H new ATOM 0 HB3 LEU A 75 2.285 -3.246 2.441 1.00 34.21 H new ATOM 0 HG LEU A 75 3.546 -1.153 2.390 1.00 15.50 H new ATOM 0 HD11 LEU A 75 2.986 0.677 0.810 1.00 4.33 H new ATOM 0 HD12 LEU A 75 3.592 -0.767 -0.037 1.00 4.33 H new ATOM 0 HD13 LEU A 75 1.850 -0.405 -0.031 1.00 4.33 H new ATOM 0 HD21 LEU A 75 1.757 0.450 2.986 1.00 10.14 H new ATOM 0 HD22 LEU A 75 0.547 -0.641 2.269 1.00 10.14 H new ATOM 0 HD23 LEU A 75 1.474 -1.156 3.699 1.00 10.14 H new ATOM 1227 N ILE A 76 4.921 -4.661 1.788 1.00 12.35 N ATOM 1228 CA ILE A 76 6.226 -5.029 2.360 1.00 60.11 C ATOM 1229 C ILE A 76 7.220 -5.288 1.208 1.00 21.00 C ATOM 1230 O ILE A 76 8.384 -4.908 1.300 1.00 4.10 O ATOM 1231 CB ILE A 76 6.090 -6.278 3.346 1.00 30.41 C ATOM 1232 CG1 ILE A 76 5.730 -5.828 4.808 1.00 45.32 C ATOM 1233 CG2 ILE A 76 7.357 -7.173 3.373 1.00 61.04 C ATOM 1234 CD1 ILE A 76 4.498 -4.949 4.969 1.00 11.41 C ATOM 0 H ILE A 76 4.204 -5.373 1.928 1.00 12.35 H new ATOM 0 HA ILE A 76 6.610 -4.209 2.967 1.00 60.11 H new ATOM 0 HB ILE A 76 5.272 -6.876 2.944 1.00 30.41 H new ATOM 0 HG12 ILE A 76 5.591 -6.723 5.415 1.00 45.32 H new ATOM 0 HG13 ILE A 76 6.586 -5.293 5.220 1.00 45.32 H new ATOM 0 HG21 ILE A 76 7.201 -8.004 4.061 1.00 61.04 H new ATOM 0 HG22 ILE A 76 7.549 -7.562 2.373 1.00 61.04 H new ATOM 0 HG23 ILE A 76 8.212 -6.583 3.704 1.00 61.04 H new ATOM 0 HD11 ILE A 76 4.358 -4.708 6.023 1.00 11.41 H new ATOM 0 HD12 ILE A 76 4.631 -4.028 4.401 1.00 11.41 H new ATOM 0 HD13 ILE A 76 3.621 -5.480 4.599 1.00 11.41 H new ATOM 1246 N LYS A 77 6.722 -5.909 0.108 1.00 63.15 N ATOM 1247 CA LYS A 77 7.522 -6.142 -1.119 1.00 10.23 C ATOM 1248 C LYS A 77 7.898 -4.819 -1.822 1.00 4.15 C ATOM 1249 O LYS A 77 9.026 -4.687 -2.311 1.00 1.30 O ATOM 1250 CB LYS A 77 6.772 -7.073 -2.100 1.00 74.13 C ATOM 1251 CG LYS A 77 6.515 -8.494 -1.558 1.00 71.33 C ATOM 1252 CD LYS A 77 5.737 -9.377 -2.558 1.00 4.42 C ATOM 1253 CE LYS A 77 6.514 -9.652 -3.855 1.00 64.21 C ATOM 1254 NZ LYS A 77 5.752 -10.534 -4.778 1.00 4.15 N ATOM 0 H LYS A 77 5.766 -6.258 0.048 1.00 63.15 H new ATOM 0 HA LYS A 77 8.446 -6.629 -0.809 1.00 10.23 H new ATOM 0 HB2 LYS A 77 5.816 -6.616 -2.356 1.00 74.13 H new ATOM 0 HB3 LYS A 77 7.347 -7.148 -3.023 1.00 74.13 H new ATOM 0 HG2 LYS A 77 7.468 -8.968 -1.325 1.00 71.33 H new ATOM 0 HG3 LYS A 77 5.955 -8.428 -0.625 1.00 71.33 H new ATOM 0 HD2 LYS A 77 5.492 -10.326 -2.081 1.00 4.42 H new ATOM 0 HD3 LYS A 77 4.793 -8.891 -2.804 1.00 4.42 H new ATOM 0 HE2 LYS A 77 6.735 -8.708 -4.354 1.00 64.21 H new ATOM 0 HE3 LYS A 77 7.470 -10.117 -3.614 1.00 64.21 H new ATOM 0 HZ1 LYS A 77 6.309 -10.697 -5.641 1.00 4.15 H new ATOM 0 HZ2 LYS A 77 5.563 -11.444 -4.311 1.00 4.15 H new ATOM 0 HZ3 LYS A 77 4.851 -10.079 -5.028 1.00 4.15 H new ATOM 1268 N VAL A 78 6.945 -3.850 -1.865 1.00 42.15 N ATOM 1269 CA VAL A 78 7.174 -2.498 -2.435 1.00 22.15 C ATOM 1270 C VAL A 78 8.339 -1.821 -1.689 1.00 2.24 C ATOM 1271 O VAL A 78 9.355 -1.467 -2.288 1.00 15.43 O ATOM 1272 CB VAL A 78 5.874 -1.595 -2.364 1.00 33.52 C ATOM 1273 CG1 VAL A 78 6.138 -0.161 -2.893 1.00 53.11 C ATOM 1274 CG2 VAL A 78 4.696 -2.246 -3.135 1.00 71.44 C ATOM 0 H VAL A 78 6.000 -3.985 -1.506 1.00 42.15 H new ATOM 0 HA VAL A 78 7.426 -2.612 -3.489 1.00 22.15 H new ATOM 0 HB VAL A 78 5.599 -1.517 -1.312 1.00 33.52 H new ATOM 0 HG11 VAL A 78 5.222 0.426 -2.827 1.00 53.11 H new ATOM 0 HG12 VAL A 78 6.915 0.311 -2.292 1.00 53.11 H new ATOM 0 HG13 VAL A 78 6.463 -0.211 -3.932 1.00 53.11 H new ATOM 0 HG21 VAL A 78 3.818 -1.603 -3.068 1.00 71.44 H new ATOM 0 HG22 VAL A 78 4.973 -2.375 -4.181 1.00 71.44 H new ATOM 0 HG23 VAL A 78 4.468 -3.218 -2.698 1.00 71.44 H new ATOM 1284 N TYR A 79 8.184 -1.737 -0.357 1.00 60.43 N ATOM 1285 CA TYR A 79 9.175 -1.134 0.557 1.00 33.31 C ATOM 1286 C TYR A 79 10.502 -1.931 0.603 1.00 51.22 C ATOM 1287 O TYR A 79 11.554 -1.358 0.906 1.00 71.41 O ATOM 1288 CB TYR A 79 8.562 -0.997 1.980 1.00 31.10 C ATOM 1289 CG TYR A 79 7.699 0.257 2.200 1.00 61.20 C ATOM 1290 CD1 TYR A 79 6.506 0.461 1.500 1.00 11.44 C ATOM 1291 CD2 TYR A 79 8.085 1.239 3.120 1.00 72.33 C ATOM 1292 CE1 TYR A 79 5.740 1.591 1.714 1.00 51.43 C ATOM 1293 CE2 TYR A 79 7.320 2.366 3.334 1.00 64.52 C ATOM 1294 CZ TYR A 79 6.150 2.537 2.630 1.00 21.30 C ATOM 1295 OH TYR A 79 5.387 3.658 2.843 1.00 12.12 O ATOM 0 H TYR A 79 7.357 -2.090 0.124 1.00 60.43 H new ATOM 0 HA TYR A 79 9.422 -0.145 0.171 1.00 33.31 H new ATOM 0 HB2 TYR A 79 7.953 -1.878 2.183 1.00 31.10 H new ATOM 0 HB3 TYR A 79 9.372 -0.994 2.709 1.00 31.10 H new ATOM 0 HD1 TYR A 79 6.178 -0.276 0.781 1.00 11.44 H new ATOM 0 HD2 TYR A 79 9.003 1.111 3.675 1.00 72.33 H new ATOM 0 HE1 TYR A 79 4.821 1.733 1.165 1.00 51.43 H new ATOM 0 HE2 TYR A 79 7.637 3.110 4.050 1.00 64.52 H new ATOM 0 HH TYR A 79 5.816 4.222 3.520 1.00 12.12 H new ATOM 1305 N ALA A 80 10.442 -3.240 0.298 1.00 35.55 N ATOM 1306 CA ALA A 80 11.637 -4.105 0.235 1.00 62.21 C ATOM 1307 C ALA A 80 12.513 -3.730 -0.972 1.00 21.11 C ATOM 1308 O ALA A 80 13.746 -3.729 -0.876 1.00 21.31 O ATOM 1309 CB ALA A 80 11.244 -5.589 0.177 1.00 43.11 C ATOM 0 H ALA A 80 9.570 -3.727 0.089 1.00 35.55 H new ATOM 0 HA ALA A 80 12.215 -3.946 1.145 1.00 62.21 H new ATOM 0 HB1 ALA A 80 12.144 -6.202 0.131 1.00 43.11 H new ATOM 0 HB2 ALA A 80 10.673 -5.849 1.068 1.00 43.11 H new ATOM 0 HB3 ALA A 80 10.636 -5.770 -0.709 1.00 43.11 H new ATOM 1315 N GLU A 81 11.854 -3.415 -2.111 1.00 24.34 N ATOM 1316 CA GLU A 81 12.537 -2.967 -3.347 1.00 71.13 C ATOM 1317 C GLU A 81 13.050 -1.524 -3.205 1.00 3.42 C ATOM 1318 O GLU A 81 14.045 -1.148 -3.830 1.00 32.24 O ATOM 1319 CB GLU A 81 11.591 -3.080 -4.573 1.00 42.13 C ATOM 1320 CG GLU A 81 11.097 -4.508 -4.866 1.00 32.14 C ATOM 1321 CD GLU A 81 10.266 -4.592 -6.154 1.00 72.13 C ATOM 1322 OE1 GLU A 81 9.071 -4.229 -6.134 1.00 40.41 O ATOM 1323 OE2 GLU A 81 10.815 -4.989 -7.204 1.00 51.13 O ATOM 0 H GLU A 81 10.839 -3.464 -2.199 1.00 24.34 H new ATOM 0 HA GLU A 81 13.394 -3.622 -3.506 1.00 71.13 H new ATOM 0 HB2 GLU A 81 10.727 -2.436 -4.410 1.00 42.13 H new ATOM 0 HB3 GLU A 81 12.110 -2.700 -5.453 1.00 42.13 H new ATOM 0 HG2 GLU A 81 11.955 -5.176 -4.947 1.00 32.14 H new ATOM 0 HG3 GLU A 81 10.497 -4.860 -4.027 1.00 32.14 H new ATOM 1330 N LEU A 82 12.365 -0.727 -2.370 1.00 61.14 N ATOM 1331 CA LEU A 82 12.720 0.692 -2.131 1.00 0.01 C ATOM 1332 C LEU A 82 13.818 0.841 -1.070 1.00 53.11 C ATOM 1333 O LEU A 82 14.557 1.832 -1.072 1.00 3.41 O ATOM 1334 CB LEU A 82 11.450 1.489 -1.723 1.00 51.02 C ATOM 1335 CG LEU A 82 10.318 1.500 -2.788 1.00 2.13 C ATOM 1336 CD1 LEU A 82 9.082 2.275 -2.307 1.00 52.41 C ATOM 1337 CD2 LEU A 82 10.837 2.029 -4.137 1.00 31.13 C ATOM 0 H LEU A 82 11.552 -1.041 -1.841 1.00 61.14 H new ATOM 0 HA LEU A 82 13.120 1.099 -3.060 1.00 0.01 H new ATOM 0 HB2 LEU A 82 11.056 1.068 -0.798 1.00 51.02 H new ATOM 0 HB3 LEU A 82 11.737 2.518 -1.508 1.00 51.02 H new ATOM 0 HG LEU A 82 9.998 0.469 -2.937 1.00 2.13 H new ATOM 0 HD11 LEU A 82 8.316 2.257 -3.083 1.00 52.41 H new ATOM 0 HD12 LEU A 82 8.692 1.811 -1.401 1.00 52.41 H new ATOM 0 HD13 LEU A 82 9.360 3.308 -2.096 1.00 52.41 H new ATOM 0 HD21 LEU A 82 10.026 2.027 -4.865 1.00 31.13 H new ATOM 0 HD22 LEU A 82 11.208 3.046 -4.011 1.00 31.13 H new ATOM 0 HD23 LEU A 82 11.645 1.389 -4.492 1.00 31.13 H new ATOM 1349 N GLY A 83 13.923 -0.157 -0.175 1.00 55.23 N ATOM 1350 CA GLY A 83 14.875 -0.113 0.935 1.00 64.02 C ATOM 1351 C GLY A 83 15.234 -1.504 1.429 1.00 2.50 C ATOM 1352 O GLY A 83 16.000 -2.221 0.774 1.00 21.31 O ATOM 0 H GLY A 83 13.356 -1.004 -0.204 1.00 55.23 H new ATOM 0 HA2 GLY A 83 15.780 0.404 0.617 1.00 64.02 H new ATOM 0 HA3 GLY A 83 14.450 0.465 1.755 1.00 64.02 H new ATOM 1403 N ILE A 87 10.602 -3.993 8.122 1.00 75.13 N ATOM 1404 CA ILE A 87 9.413 -3.138 7.891 1.00 65.34 C ATOM 1405 C ILE A 87 8.543 -3.047 9.163 1.00 45.34 C ATOM 1406 O ILE A 87 8.305 -4.056 9.835 1.00 12.41 O ATOM 1407 CB ILE A 87 8.543 -3.685 6.685 1.00 11.12 C ATOM 1408 CG1 ILE A 87 9.362 -3.703 5.349 1.00 4.04 C ATOM 1409 CG2 ILE A 87 7.234 -2.877 6.511 1.00 54.43 C ATOM 1410 CD1 ILE A 87 9.907 -2.350 4.928 1.00 22.55 C ATOM 0 HA ILE A 87 9.772 -2.140 7.638 1.00 65.34 H new ATOM 0 HB ILE A 87 8.272 -4.712 6.930 1.00 11.12 H new ATOM 0 HG12 ILE A 87 10.194 -4.399 5.457 1.00 4.04 H new ATOM 0 HG13 ILE A 87 8.726 -4.088 4.552 1.00 4.04 H new ATOM 0 HG21 ILE A 87 6.665 -3.282 5.674 1.00 54.43 H new ATOM 0 HG22 ILE A 87 6.640 -2.947 7.422 1.00 54.43 H new ATOM 0 HG23 ILE A 87 7.475 -1.832 6.314 1.00 54.43 H new ATOM 0 HD11 ILE A 87 10.460 -2.455 3.994 1.00 22.55 H new ATOM 0 HD12 ILE A 87 9.081 -1.654 4.784 1.00 22.55 H new ATOM 0 HD13 ILE A 87 10.572 -1.969 5.703 1.00 22.55 H new ATOM 1422 N ASN A 88 8.075 -1.822 9.476 1.00 23.14 N ATOM 1423 CA ASN A 88 7.099 -1.569 10.540 1.00 62.01 C ATOM 1424 C ASN A 88 5.684 -1.695 9.943 1.00 33.34 C ATOM 1425 O ASN A 88 5.290 -0.877 9.102 1.00 30.51 O ATOM 1426 CB ASN A 88 7.318 -0.154 11.137 1.00 31.50 C ATOM 1427 CG ASN A 88 6.252 0.237 12.172 1.00 30.32 C ATOM 1428 OD1 ASN A 88 5.212 0.812 11.830 1.00 12.22 O ATOM 1429 ND2 ASN A 88 6.486 -0.083 13.429 1.00 25.33 N ATOM 0 H ASN A 88 8.371 -0.976 8.989 1.00 23.14 H new ATOM 0 HA ASN A 88 7.222 -2.295 11.344 1.00 62.01 H new ATOM 0 HB2 ASN A 88 8.302 -0.112 11.604 1.00 31.50 H new ATOM 0 HB3 ASN A 88 7.317 0.578 10.330 1.00 31.50 H new ATOM 0 HD21 ASN A 88 5.800 0.143 14.149 1.00 25.33 H new ATOM 0 HD22 ASN A 88 7.353 -0.557 13.682 1.00 25.33 H new ATOM 1436 N VAL A 89 4.958 -2.756 10.337 1.00 61.13 N ATOM 1437 CA VAL A 89 3.580 -3.021 9.881 1.00 22.33 C ATOM 1438 C VAL A 89 2.598 -2.609 10.991 1.00 44.15 C ATOM 1439 O VAL A 89 2.592 -3.212 12.068 1.00 51.44 O ATOM 1440 CB VAL A 89 3.366 -4.547 9.511 1.00 3.22 C ATOM 1441 CG1 VAL A 89 2.031 -4.757 8.754 1.00 60.43 C ATOM 1442 CG2 VAL A 89 4.563 -5.100 8.702 1.00 44.50 C ATOM 0 H VAL A 89 5.313 -3.459 10.985 1.00 61.13 H new ATOM 0 HA VAL A 89 3.398 -2.437 8.979 1.00 22.33 H new ATOM 0 HB VAL A 89 3.310 -5.110 10.443 1.00 3.22 H new ATOM 0 HG11 VAL A 89 1.911 -5.813 8.513 1.00 60.43 H new ATOM 0 HG12 VAL A 89 1.202 -4.432 9.382 1.00 60.43 H new ATOM 0 HG13 VAL A 89 2.039 -4.174 7.833 1.00 60.43 H new ATOM 0 HG21 VAL A 89 4.387 -6.149 8.463 1.00 44.50 H new ATOM 0 HG22 VAL A 89 4.672 -4.531 7.779 1.00 44.50 H new ATOM 0 HG23 VAL A 89 5.474 -5.011 9.293 1.00 44.50 H new ATOM 1452 N THR A 90 1.819 -1.550 10.741 1.00 54.45 N ATOM 1453 CA THR A 90 0.770 -1.064 11.653 1.00 33.33 C ATOM 1454 C THR A 90 -0.608 -1.282 11.007 1.00 62.14 C ATOM 1455 O THR A 90 -0.934 -0.633 10.020 1.00 34.21 O ATOM 1456 CB THR A 90 0.979 0.458 11.973 1.00 1.15 C ATOM 1457 OG1 THR A 90 2.249 0.646 12.629 1.00 50.22 O ATOM 1458 CG2 THR A 90 -0.163 1.048 12.841 1.00 23.23 C ATOM 0 H THR A 90 1.899 -0.997 9.888 1.00 54.45 H new ATOM 0 HA THR A 90 0.827 -1.621 12.588 1.00 33.33 H new ATOM 0 HB THR A 90 0.966 0.995 11.025 1.00 1.15 H new ATOM 0 HG1 THR A 90 2.962 0.677 11.958 1.00 50.22 H new ATOM 0 HG21 THR A 90 0.033 2.103 13.032 1.00 23.23 H new ATOM 0 HG22 THR A 90 -1.111 0.945 12.314 1.00 23.23 H new ATOM 0 HG23 THR A 90 -0.214 0.511 13.788 1.00 23.23 H new ATOM 1466 N TRP A 91 -1.399 -2.222 11.537 1.00 22.12 N ATOM 1467 CA TRP A 91 -2.785 -2.427 11.099 1.00 64.03 C ATOM 1468 C TRP A 91 -3.710 -1.658 12.051 1.00 71.24 C ATOM 1469 O TRP A 91 -3.789 -1.969 13.238 1.00 13.14 O ATOM 1470 CB TRP A 91 -3.144 -3.936 11.049 1.00 34.13 C ATOM 1471 CG TRP A 91 -4.542 -4.224 10.527 1.00 14.12 C ATOM 1472 CD1 TRP A 91 -5.226 -3.531 9.560 1.00 25.51 C ATOM 1473 CD2 TRP A 91 -5.404 -5.304 10.916 1.00 4.13 C ATOM 1474 NE1 TRP A 91 -6.463 -4.079 9.372 1.00 73.52 N ATOM 1475 CE2 TRP A 91 -6.593 -5.174 10.177 1.00 21.14 C ATOM 1476 CE3 TRP A 91 -5.288 -6.362 11.822 1.00 24.14 C ATOM 1477 CZ2 TRP A 91 -7.656 -6.055 10.313 1.00 62.20 C ATOM 1478 CZ3 TRP A 91 -6.345 -7.237 11.956 1.00 1.41 C ATOM 1479 CH2 TRP A 91 -7.516 -7.079 11.203 1.00 31.24 C ATOM 0 H TRP A 91 -1.100 -2.858 12.276 1.00 22.12 H new ATOM 0 HA TRP A 91 -2.911 -2.048 10.085 1.00 64.03 H new ATOM 0 HB2 TRP A 91 -2.419 -4.450 10.418 1.00 34.13 H new ATOM 0 HB3 TRP A 91 -3.048 -4.355 12.051 1.00 34.13 H new ATOM 0 HD1 TRP A 91 -4.842 -2.675 9.025 1.00 25.51 H new ATOM 0 HE1 TRP A 91 -7.175 -3.727 8.733 1.00 73.52 H new ATOM 0 HE3 TRP A 91 -4.388 -6.491 12.405 1.00 24.14 H new ATOM 0 HZ2 TRP A 91 -8.561 -5.934 9.736 1.00 62.20 H new ATOM 0 HZ3 TRP A 91 -6.269 -8.058 12.653 1.00 1.41 H new ATOM 0 HH2 TRP A 91 -8.325 -7.783 11.330 1.00 31.24 H new ATOM 1490 N ASP A 92 -4.353 -0.622 11.518 1.00 61.24 N ATOM 1491 CA ASP A 92 -5.290 0.243 12.255 1.00 74.31 C ATOM 1492 C ASP A 92 -6.642 -0.451 12.494 1.00 75.02 C ATOM 1493 O ASP A 92 -7.280 -0.236 13.526 1.00 45.50 O ATOM 1494 CB ASP A 92 -5.508 1.555 11.471 1.00 14.34 C ATOM 1495 CG ASP A 92 -4.208 2.334 11.264 1.00 22.55 C ATOM 1496 OD1 ASP A 92 -3.807 3.079 12.184 1.00 21.32 O ATOM 1497 OD2 ASP A 92 -3.575 2.197 10.189 1.00 62.54 O ATOM 0 H ASP A 92 -4.239 -0.349 10.542 1.00 61.24 H new ATOM 0 HA ASP A 92 -4.851 0.458 13.229 1.00 74.31 H new ATOM 0 HB2 ASP A 92 -5.950 1.326 10.501 1.00 14.34 H new ATOM 0 HB3 ASP A 92 -6.222 2.181 12.007 1.00 14.34 H new ATOM 1502 N GLY A 93 -7.073 -1.264 11.510 1.00 4.33 N ATOM 1503 CA GLY A 93 -8.356 -1.983 11.571 1.00 2.02 C ATOM 1504 C GLY A 93 -9.025 -2.038 10.215 1.00 12.31 C ATOM 1505 O GLY A 93 -9.258 -3.114 9.652 1.00 40.13 O ATOM 0 H GLY A 93 -6.543 -1.439 10.656 1.00 4.33 H new ATOM 0 HA2 GLY A 93 -8.190 -2.996 11.937 1.00 2.02 H new ATOM 0 HA3 GLY A 93 -9.017 -1.491 12.284 1.00 2.02 H new ATOM 1509 N ASP A 94 -9.347 -0.854 9.698 1.00 33.14 N ATOM 1510 CA ASP A 94 -9.905 -0.682 8.339 1.00 43.43 C ATOM 1511 C ASP A 94 -8.810 -0.313 7.343 1.00 34.10 C ATOM 1512 O ASP A 94 -9.064 -0.241 6.138 1.00 75.12 O ATOM 1513 CB ASP A 94 -11.035 0.382 8.323 1.00 24.20 C ATOM 1514 CG ASP A 94 -12.319 -0.114 8.999 1.00 35.42 C ATOM 1515 OD1 ASP A 94 -12.467 0.066 10.228 1.00 13.13 O ATOM 1516 OD2 ASP A 94 -13.179 -0.698 8.306 1.00 51.14 O ATOM 0 H ASP A 94 -9.231 0.024 10.205 1.00 33.14 H new ATOM 0 HA ASP A 94 -10.337 -1.637 8.038 1.00 43.43 H new ATOM 0 HB2 ASP A 94 -10.688 1.284 8.828 1.00 24.20 H new ATOM 0 HB3 ASP A 94 -11.255 0.658 7.292 1.00 24.20 H new ATOM 1521 N THR A 95 -7.592 -0.079 7.846 1.00 15.35 N ATOM 1522 CA THR A 95 -6.434 0.322 7.037 1.00 33.20 C ATOM 1523 C THR A 95 -5.148 -0.311 7.600 1.00 1.42 C ATOM 1524 O THR A 95 -5.005 -0.406 8.811 1.00 73.44 O ATOM 1525 CB THR A 95 -6.296 1.885 7.036 1.00 32.11 C ATOM 1526 OG1 THR A 95 -7.539 2.488 6.625 1.00 62.23 O ATOM 1527 CG2 THR A 95 -5.176 2.374 6.111 1.00 74.11 C ATOM 0 H THR A 95 -7.380 -0.164 8.840 1.00 15.35 H new ATOM 0 HA THR A 95 -6.584 -0.026 6.015 1.00 33.20 H new ATOM 0 HB THR A 95 -6.044 2.182 8.054 1.00 32.11 H new ATOM 0 HG1 THR A 95 -7.446 3.464 6.628 1.00 62.23 H new ATOM 0 HG21 THR A 95 -5.123 3.462 6.147 1.00 74.11 H new ATOM 0 HG22 THR A 95 -4.225 1.953 6.437 1.00 74.11 H new ATOM 0 HG23 THR A 95 -5.382 2.055 5.089 1.00 74.11 H new ATOM 1535 N VAL A 96 -4.242 -0.781 6.722 1.00 12.12 N ATOM 1536 CA VAL A 96 -2.875 -1.185 7.098 1.00 14.42 C ATOM 1537 C VAL A 96 -1.867 -0.097 6.631 1.00 40.25 C ATOM 1538 O VAL A 96 -1.662 0.128 5.432 1.00 4.01 O ATOM 1539 CB VAL A 96 -2.502 -2.625 6.539 1.00 34.21 C ATOM 1540 CG1 VAL A 96 -2.660 -2.739 5.001 1.00 14.13 C ATOM 1541 CG2 VAL A 96 -1.083 -3.050 6.999 1.00 11.40 C ATOM 0 H VAL A 96 -4.439 -0.891 5.727 1.00 12.12 H new ATOM 0 HA VAL A 96 -2.822 -1.266 8.184 1.00 14.42 H new ATOM 0 HB VAL A 96 -3.223 -3.321 6.967 1.00 34.21 H new ATOM 0 HG11 VAL A 96 -2.390 -3.746 4.681 1.00 14.13 H new ATOM 0 HG12 VAL A 96 -3.695 -2.536 4.725 1.00 14.13 H new ATOM 0 HG13 VAL A 96 -2.006 -2.016 4.513 1.00 14.13 H new ATOM 0 HG21 VAL A 96 -0.853 -4.039 6.603 1.00 11.40 H new ATOM 0 HG22 VAL A 96 -0.351 -2.332 6.630 1.00 11.40 H new ATOM 0 HG23 VAL A 96 -1.047 -3.078 8.088 1.00 11.40 H new ATOM 1551 N THR A 97 -1.308 0.629 7.605 1.00 44.51 N ATOM 1552 CA THR A 97 -0.292 1.669 7.393 1.00 2.43 C ATOM 1553 C THR A 97 1.129 1.097 7.582 1.00 54.03 C ATOM 1554 O THR A 97 1.397 0.376 8.542 1.00 1.40 O ATOM 1555 CB THR A 97 -0.525 2.843 8.392 1.00 42.14 C ATOM 1556 OG1 THR A 97 -1.820 3.419 8.157 1.00 2.13 O ATOM 1557 CG2 THR A 97 0.548 3.940 8.305 1.00 52.34 C ATOM 0 H THR A 97 -1.555 0.508 8.587 1.00 44.51 H new ATOM 0 HA THR A 97 -0.382 2.036 6.370 1.00 2.43 H new ATOM 0 HB THR A 97 -0.462 2.422 9.395 1.00 42.14 H new ATOM 0 HG1 THR A 97 -2.462 3.054 8.801 1.00 2.13 H new ATOM 0 HG21 THR A 97 0.325 4.726 9.027 1.00 52.34 H new ATOM 0 HG22 THR A 97 1.525 3.511 8.526 1.00 52.34 H new ATOM 0 HG23 THR A 97 0.556 4.362 7.300 1.00 52.34 H new ATOM 1565 N VAL A 98 2.020 1.419 6.638 1.00 71.34 N ATOM 1566 CA VAL A 98 3.462 1.141 6.722 1.00 24.23 C ATOM 1567 C VAL A 98 4.223 2.463 6.511 1.00 2.42 C ATOM 1568 O VAL A 98 3.943 3.189 5.555 1.00 31.34 O ATOM 1569 CB VAL A 98 3.918 0.063 5.656 1.00 23.13 C ATOM 1570 CG1 VAL A 98 5.457 -0.027 5.554 1.00 73.13 C ATOM 1571 CG2 VAL A 98 3.308 -1.329 5.973 1.00 51.25 C ATOM 0 H VAL A 98 1.755 1.891 5.774 1.00 71.34 H new ATOM 0 HA VAL A 98 3.686 0.726 7.705 1.00 24.23 H new ATOM 0 HB VAL A 98 3.542 0.390 4.687 1.00 23.13 H new ATOM 0 HG11 VAL A 98 5.729 -0.778 4.812 1.00 73.13 H new ATOM 0 HG12 VAL A 98 5.859 0.941 5.255 1.00 73.13 H new ATOM 0 HG13 VAL A 98 5.870 -0.308 6.523 1.00 73.13 H new ATOM 0 HG21 VAL A 98 3.638 -2.050 5.225 1.00 51.25 H new ATOM 0 HG22 VAL A 98 3.637 -1.654 6.960 1.00 51.25 H new ATOM 0 HG23 VAL A 98 2.220 -1.262 5.957 1.00 51.25 H new ATOM 1581 N GLU A 99 5.162 2.774 7.421 1.00 10.22 N ATOM 1582 CA GLU A 99 6.013 3.976 7.342 1.00 62.02 C ATOM 1583 C GLU A 99 7.377 3.672 7.964 1.00 20.40 C ATOM 1584 O GLU A 99 7.451 2.976 8.990 1.00 11.34 O ATOM 1585 CB GLU A 99 5.342 5.184 8.054 1.00 40.20 C ATOM 1586 CG GLU A 99 6.209 6.471 8.109 1.00 33.14 C ATOM 1587 CD GLU A 99 5.454 7.702 8.638 1.00 63.25 C ATOM 1588 OE1 GLU A 99 5.201 7.785 9.854 1.00 41.12 O ATOM 1589 OE2 GLU A 99 5.085 8.581 7.836 1.00 60.11 O ATOM 0 H GLU A 99 5.354 2.195 8.238 1.00 10.22 H new ATOM 0 HA GLU A 99 6.146 4.246 6.294 1.00 62.02 H new ATOM 0 HB2 GLU A 99 4.407 5.414 7.544 1.00 40.20 H new ATOM 0 HB3 GLU A 99 5.086 4.891 9.072 1.00 40.20 H new ATOM 0 HG2 GLU A 99 7.076 6.287 8.743 1.00 33.14 H new ATOM 0 HG3 GLU A 99 6.585 6.688 7.109 1.00 33.14 H new ATOM 1596 N GLY A 100 8.445 4.196 7.337 1.00 24.34 N ATOM 1597 CA GLY A 100 9.808 4.008 7.822 1.00 35.35 C ATOM 1598 C GLY A 100 10.267 2.557 7.687 1.00 71.14 C ATOM 1599 O GLY A 100 10.161 1.975 6.599 1.00 42.54 O ATOM 0 H GLY A 100 8.380 4.756 6.487 1.00 24.34 H new ATOM 0 HA2 GLY A 100 10.484 4.656 7.264 1.00 35.35 H new ATOM 0 HA3 GLY A 100 9.866 4.311 8.867 1.00 35.35 H new