USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 519 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 27 THR OG1 : rot -81:sc= 1.52 USER MOD Set 1.2: A 50 SER OG : rot -117:sc= 1.43 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= -0.128 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= 1.16 F(o=-0.29,f=2.2) USER MOD Set 3.2: A 71 ASN :FLIP amide:sc= 1.04 F(o=-1.2,f=2.2) USER MOD Single : A 11 THR OG1 : rot 20:sc= 1.17 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.94) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.67 K(o=-2.7,f=-9.5!) USER MOD Single : A 34 THR OG1 : rot -162:sc= -0.0715 USER MOD Single : A 36 THR OG1 : rot 130:sc= 1.11 USER MOD Single : A 41 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.135 (180deg=-0.785) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 56:sc= 0.0385 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 163 N GLY A 8 -4.371 -12.747 18.060 1.00 4.54 N ATOM 164 CA GLY A 8 -4.975 -13.536 19.118 1.00 1.12 C ATOM 165 C GLY A 8 -6.490 -13.485 19.086 1.00 12.44 C ATOM 166 O GLY A 8 -7.076 -12.460 18.742 1.00 42.34 O ATOM 0 HA2 GLY A 8 -4.647 -14.572 19.027 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.623 -13.174 20.084 1.00 1.12 H new ATOM 170 N ASN A 9 -7.125 -14.596 19.445 1.00 51.20 N ATOM 171 CA ASN A 9 -8.582 -14.675 19.453 1.00 63.11 C ATOM 172 C ASN A 9 -9.065 -15.699 20.476 1.00 4.24 C ATOM 173 O ASN A 9 -8.616 -16.845 20.483 1.00 20.25 O ATOM 174 CB ASN A 9 -9.102 -15.042 18.062 1.00 62.31 C ATOM 175 CG ASN A 9 -10.611 -15.187 18.028 1.00 62.52 C ATOM 176 OD1 ASN A 9 -11.310 -14.241 18.645 1.00 73.41 O flip ATOM 177 ND2 ASN A 9 -11.142 -16.138 17.455 1.00 54.03 N flip ATOM 0 H ASN A 9 -6.654 -15.454 19.734 1.00 51.20 H new ATOM 0 HA ASN A 9 -8.973 -13.696 19.732 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -8.797 -14.275 17.349 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -8.643 -15.977 17.740 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -10.566 -16.842 16.994 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -12.158 -16.222 17.441 1.00 54.03 H new ATOM 184 N VAL A 10 -9.985 -15.277 21.338 1.00 11.42 N ATOM 185 CA VAL A 10 -10.532 -16.157 22.364 1.00 24.54 C ATOM 186 C VAL A 10 -12.032 -16.351 22.178 1.00 65.31 C ATOM 187 O VAL A 10 -12.777 -15.388 21.999 1.00 73.33 O ATOM 188 CB VAL A 10 -10.267 -15.604 23.777 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.884 -16.511 24.830 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.773 -15.438 24.012 1.00 42.41 C ATOM 0 H VAL A 10 -10.367 -14.331 21.346 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.029 -17.118 22.259 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.735 -14.623 23.859 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.686 -16.104 25.822 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.961 -16.573 24.671 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.448 -17.507 24.753 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.604 -15.046 25.015 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.279 -16.405 23.912 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.364 -14.744 23.278 1.00 42.41 H new ATOM 200 N THR A 11 -12.471 -17.606 22.223 1.00 10.10 N ATOM 201 CA THR A 11 -13.883 -17.928 22.059 1.00 34.03 C ATOM 202 C THR A 11 -14.320 -19.001 23.051 1.00 20.04 C ATOM 203 O THR A 11 -13.497 -19.574 23.763 1.00 73.43 O ATOM 204 CB THR A 11 -14.186 -18.413 20.629 1.00 22.23 C ATOM 205 OG1 THR A 11 -13.217 -19.386 20.225 1.00 45.23 O ATOM 206 CG2 THR A 11 -14.180 -17.248 19.651 1.00 3.03 C ATOM 0 H THR A 11 -11.868 -18.415 22.372 1.00 10.10 H new ATOM 0 HA THR A 11 -14.441 -17.011 22.249 1.00 34.03 H new ATOM 0 HB THR A 11 -15.177 -18.866 20.625 1.00 22.23 H new ATOM 0 HG1 THR A 11 -12.786 -19.767 21.018 1.00 45.23 H new ATOM 0 HG21 THR A 11 -14.396 -17.614 18.647 1.00 3.03 H new ATOM 0 HG22 THR A 11 -14.939 -16.523 19.944 1.00 3.03 H new ATOM 0 HG23 THR A 11 -13.200 -16.771 19.660 1.00 3.03 H new ATOM 214 N SER A 12 -15.622 -19.267 23.090 1.00 72.20 N ATOM 215 CA SER A 12 -16.169 -20.270 23.996 1.00 63.13 C ATOM 216 C SER A 12 -16.262 -21.630 23.311 1.00 64.31 C ATOM 217 O SER A 12 -16.328 -21.717 22.085 1.00 41.10 O ATOM 218 CB SER A 12 -17.552 -19.841 24.491 1.00 31.13 C ATOM 219 OG SER A 12 -17.815 -20.358 25.783 1.00 24.24 O ATOM 0 H SER A 12 -16.317 -18.802 22.505 1.00 72.20 H new ATOM 0 HA SER A 12 -15.496 -20.358 24.849 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.612 -18.753 24.512 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.315 -20.189 23.795 1.00 31.13 H new ATOM 0 HG SER A 12 -18.704 -20.068 26.077 1.00 24.24 H new ATOM 225 N LYS A 13 -16.267 -22.690 24.112 1.00 44.22 N ATOM 226 CA LYS A 13 -16.352 -24.047 23.585 1.00 60.22 C ATOM 227 C LYS A 13 -17.800 -24.524 23.543 1.00 54.30 C ATOM 228 O LYS A 13 -18.067 -25.719 23.417 1.00 2.34 O ATOM 229 CB LYS A 13 -15.514 -25.002 24.440 1.00 51.22 C ATOM 230 CG LYS A 13 -14.875 -26.127 23.646 1.00 2.31 C ATOM 231 CD LYS A 13 -13.809 -26.845 24.456 1.00 13.33 C ATOM 232 CE LYS A 13 -12.664 -27.320 23.574 1.00 53.45 C ATOM 233 NZ LYS A 13 -11.880 -28.409 24.221 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.213 -22.636 25.129 1.00 44.22 H new ATOM 0 HA LYS A 13 -15.960 -24.040 22.568 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -14.732 -24.434 24.943 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.147 -25.431 25.217 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -15.642 -26.839 23.340 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -14.432 -25.725 22.735 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -13.424 -26.176 25.226 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -14.253 -27.698 24.968 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -13.061 -27.674 22.623 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -12.005 -26.481 23.351 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -11.109 -28.705 23.588 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -11.480 -28.064 25.116 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -12.503 -29.220 24.410 1.00 51.21 H new ATOM 247 N THR A 14 -18.732 -23.581 23.646 1.00 41.41 N ATOM 248 CA THR A 14 -20.152 -23.905 23.620 1.00 75.14 C ATOM 249 C THR A 14 -20.717 -23.783 22.209 1.00 53.42 C ATOM 250 O THR A 14 -21.239 -24.750 21.653 1.00 1.11 O ATOM 251 CB THR A 14 -20.956 -22.990 24.563 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.694 -21.616 24.252 1.00 34.11 O ATOM 253 CG2 THR A 14 -20.599 -23.264 26.016 1.00 0.42 C ATOM 0 H THR A 14 -18.528 -22.587 23.748 1.00 41.41 H new ATOM 0 HA THR A 14 -20.247 -24.936 23.960 1.00 75.14 H new ATOM 0 HB THR A 14 -22.016 -23.199 24.421 1.00 22.31 H new ATOM 0 HG1 THR A 14 -21.210 -21.040 24.854 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.179 -22.606 26.663 1.00 0.42 H new ATOM 0 HG22 THR A 14 -20.826 -24.303 26.257 1.00 0.42 H new ATOM 0 HG23 THR A 14 -19.536 -23.080 26.170 1.00 0.42 H new ATOM 261 N ASP A 15 -20.609 -22.590 21.635 1.00 13.30 N ATOM 262 CA ASP A 15 -21.107 -22.342 20.287 1.00 3.24 C ATOM 263 C ASP A 15 -19.981 -21.879 19.367 1.00 54.23 C ATOM 264 O ASP A 15 -20.041 -22.069 18.153 1.00 30.21 O ATOM 265 CB ASP A 15 -22.221 -21.294 20.317 1.00 34.54 C ATOM 266 CG ASP A 15 -23.429 -21.755 21.109 1.00 5.42 C ATOM 267 OD1 ASP A 15 -23.515 -21.419 22.309 1.00 25.13 O ATOM 268 OD2 ASP A 15 -24.288 -22.453 20.531 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.181 -21.779 22.082 1.00 13.30 H new ATOM 0 HA ASP A 15 -21.508 -23.277 19.897 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -21.836 -20.371 20.751 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -22.526 -21.063 19.296 1.00 34.54 H new ATOM 273 N GLY A 16 -18.957 -21.271 19.955 1.00 45.50 N ATOM 274 CA GLY A 16 -17.832 -20.789 19.174 1.00 13.14 C ATOM 275 C GLY A 16 -17.835 -19.281 19.022 1.00 50.04 C ATOM 276 O GLY A 16 -17.339 -18.750 18.029 1.00 53.34 O ATOM 0 H GLY A 16 -18.885 -21.103 20.959 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -16.903 -21.101 19.650 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -17.855 -21.251 18.187 1.00 13.14 H new ATOM 280 N GLN A 17 -18.395 -18.589 20.010 1.00 15.14 N ATOM 281 CA GLN A 17 -18.462 -17.133 19.980 1.00 71.43 C ATOM 282 C GLN A 17 -17.291 -16.519 20.740 1.00 32.32 C ATOM 283 O GLN A 17 -16.721 -17.126 21.647 1.00 12.20 O ATOM 284 CB GLN A 17 -19.783 -16.649 20.579 1.00 54.31 C ATOM 285 CG GLN A 17 -19.966 -17.034 22.039 1.00 63.40 C ATOM 286 CD GLN A 17 -21.393 -17.430 22.364 1.00 73.24 C ATOM 287 OE1 GLN A 17 -21.725 -18.614 22.414 1.00 3.00 O ATOM 288 NE2 GLN A 17 -22.247 -16.437 22.588 1.00 74.15 N ATOM 0 H GLN A 17 -18.808 -19.013 20.840 1.00 15.14 H new ATOM 0 HA GLN A 17 -18.405 -16.814 18.939 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -19.838 -15.564 20.488 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.608 -17.060 19.997 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -19.300 -17.863 22.278 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -19.673 -16.196 22.671 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -21.929 -15.469 22.536 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -23.221 -16.642 22.812 1.00 74.15 H new ATOM 297 N PRO A 18 -16.920 -15.287 20.361 1.00 51.11 N ATOM 298 CA PRO A 18 -15.813 -14.563 20.993 1.00 61.23 C ATOM 299 C PRO A 18 -16.142 -14.133 22.419 1.00 5.35 C ATOM 300 O PRO A 18 -17.234 -13.634 22.691 1.00 41.13 O ATOM 301 CB PRO A 18 -15.630 -13.339 20.094 1.00 11.54 C ATOM 302 CG PRO A 18 -16.961 -13.133 19.458 1.00 0.34 C ATOM 303 CD PRO A 18 -17.554 -14.504 19.286 1.00 14.12 C ATOM 0 HA PRO A 18 -14.919 -15.181 21.081 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.328 -12.465 20.672 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -14.856 -13.510 19.346 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -17.599 -12.507 20.082 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -16.861 -12.628 18.497 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -18.639 -14.488 19.387 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -17.331 -14.918 18.302 1.00 14.12 H new ATOM 311 N ILE A 19 -15.190 -14.329 23.325 1.00 51.31 N ATOM 312 CA ILE A 19 -15.378 -13.960 24.723 1.00 72.32 C ATOM 313 C ILE A 19 -15.050 -12.488 24.952 1.00 61.13 C ATOM 314 O ILE A 19 -14.045 -11.982 24.453 1.00 31.30 O ATOM 315 CB ILE A 19 -14.505 -14.820 25.655 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.822 -16.304 25.460 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.718 -14.412 27.105 1.00 24.05 C ATOM 318 CD1 ILE A 19 -16.268 -16.655 25.737 1.00 75.31 C ATOM 0 H ILE A 19 -14.281 -14.741 23.116 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.428 -14.137 24.957 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.457 -14.656 25.403 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.577 -16.588 24.436 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -14.181 -16.893 26.116 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -14.094 -15.029 27.752 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -14.447 -13.364 27.232 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.766 -14.551 27.372 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -16.420 -17.723 25.579 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -16.512 -16.403 26.769 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.914 -16.093 25.063 1.00 75.31 H new ATOM 330 N ILE A 20 -15.903 -11.808 25.710 1.00 0.14 N ATOM 331 CA ILE A 20 -15.702 -10.395 26.007 1.00 33.25 C ATOM 332 C ILE A 20 -15.434 -10.179 27.492 1.00 4.43 C ATOM 333 O ILE A 20 -16.219 -10.596 28.343 1.00 31.01 O ATOM 334 CB ILE A 20 -16.922 -9.553 25.590 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.362 -9.921 24.170 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.597 -8.069 25.681 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.567 -9.144 23.691 1.00 42.20 C ATOM 0 H ILE A 20 -16.740 -12.212 26.130 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.834 -10.072 25.432 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.744 -9.768 26.273 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.532 -9.748 23.485 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.589 -10.987 24.133 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.469 -7.487 25.383 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.326 -7.818 26.707 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.763 -7.838 25.019 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -18.822 -9.456 22.678 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.411 -9.336 24.354 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.338 -8.078 23.695 1.00 42.20 H new ATOM 349 N GLY A 21 -14.318 -9.523 27.797 1.00 4.13 N ATOM 350 CA GLY A 21 -13.966 -9.261 29.180 1.00 62.52 C ATOM 351 C GLY A 21 -13.171 -10.392 29.800 1.00 10.52 C ATOM 352 O GLY A 21 -13.305 -10.673 30.991 1.00 13.11 O ATOM 0 H GLY A 21 -13.652 -9.169 27.111 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.386 -8.340 29.236 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.875 -9.100 29.759 1.00 62.52 H new ATOM 356 N ALA A 22 -12.342 -11.045 28.992 1.00 14.24 N ATOM 357 CA ALA A 22 -11.523 -12.151 29.469 1.00 24.05 C ATOM 358 C ALA A 22 -10.213 -11.649 30.065 1.00 13.45 C ATOM 359 O ALA A 22 -9.810 -10.511 29.828 1.00 23.13 O ATOM 360 CB ALA A 22 -11.249 -13.131 28.337 1.00 63.11 C ATOM 0 H ALA A 22 -12.220 -10.826 28.003 1.00 14.24 H new ATOM 0 HA ALA A 22 -12.075 -12.665 30.256 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.636 -13.953 28.707 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -12.193 -13.524 27.960 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.722 -12.619 27.532 1.00 63.11 H new ATOM 366 N SER A 23 -9.555 -12.504 30.841 1.00 20.43 N ATOM 367 CA SER A 23 -8.292 -12.143 31.475 1.00 45.41 C ATOM 368 C SER A 23 -7.119 -12.823 30.775 1.00 32.33 C ATOM 369 O SER A 23 -6.984 -14.046 30.813 1.00 40.44 O ATOM 370 CB SER A 23 -8.312 -12.530 32.955 1.00 52.44 C ATOM 371 OG SER A 23 -8.249 -11.383 33.784 1.00 21.24 O ATOM 0 H SER A 23 -9.875 -13.451 31.046 1.00 20.43 H new ATOM 0 HA SER A 23 -8.166 -11.064 31.391 1.00 45.41 H new ATOM 0 HB2 SER A 23 -9.220 -13.092 33.175 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.470 -13.187 33.174 1.00 52.44 H new ATOM 0 HG SER A 23 -8.265 -11.658 34.725 1.00 21.24 H new ATOM 377 N VAL A 24 -6.273 -12.021 30.136 1.00 70.10 N ATOM 378 CA VAL A 24 -5.111 -12.543 29.428 1.00 11.40 C ATOM 379 C VAL A 24 -3.815 -12.034 30.049 1.00 21.15 C ATOM 380 O VAL A 24 -3.678 -10.845 30.338 1.00 75.44 O ATOM 381 CB VAL A 24 -5.141 -12.156 27.939 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.972 -12.787 27.198 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.464 -12.564 27.309 1.00 64.12 C ATOM 0 H VAL A 24 -6.371 -11.007 30.094 1.00 70.10 H new ATOM 0 HA VAL A 24 -5.149 -13.629 29.514 1.00 11.40 H new ATOM 0 HB VAL A 24 -5.046 -11.073 27.862 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -4.011 -12.502 26.147 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -3.035 -12.440 27.634 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -4.031 -13.872 27.282 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.468 -12.283 26.256 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.591 -13.643 27.397 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -7.282 -12.059 27.822 1.00 64.12 H new ATOM 393 N VAL A 25 -2.865 -12.942 30.250 1.00 54.40 N ATOM 394 CA VAL A 25 -1.578 -12.584 30.835 1.00 74.22 C ATOM 395 C VAL A 25 -0.436 -13.317 30.138 1.00 74.52 C ATOM 396 O VAL A 25 -0.606 -14.436 29.658 1.00 52.34 O ATOM 397 CB VAL A 25 -1.536 -12.906 32.340 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.745 -12.309 33.047 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.467 -14.410 32.562 1.00 31.03 C ATOM 0 H VAL A 25 -2.962 -13.930 30.017 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.455 -11.510 30.698 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.638 -12.458 32.765 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.699 -12.546 34.110 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.745 -11.227 32.917 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.658 -12.726 32.621 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.438 -14.619 33.631 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.346 -14.883 32.123 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.568 -14.807 32.090 1.00 31.03 H new ATOM 409 N GLU A 26 0.728 -12.674 30.088 1.00 60.03 N ATOM 410 CA GLU A 26 1.898 -13.266 29.449 1.00 2.03 C ATOM 411 C GLU A 26 2.693 -14.107 30.444 1.00 74.12 C ATOM 412 O GLU A 26 2.931 -13.690 31.577 1.00 32.34 O ATOM 413 CB GLU A 26 2.792 -12.173 28.861 1.00 54.12 C ATOM 414 CG GLU A 26 3.035 -12.323 27.369 1.00 11.04 C ATOM 415 CD GLU A 26 3.562 -13.695 26.998 1.00 42.11 C ATOM 416 OE1 GLU A 26 3.182 -14.205 25.923 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.353 -14.259 27.783 1.00 73.20 O1- ATOM 0 H GLU A 26 0.885 -11.746 30.481 1.00 60.03 H new ATOM 0 HA GLU A 26 1.552 -13.915 28.645 1.00 2.03 H new ATOM 0 HB2 GLU A 26 2.336 -11.201 29.050 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.751 -12.182 29.379 1.00 54.12 H new ATOM 0 HG2 GLU A 26 2.104 -12.139 26.833 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.746 -11.564 27.043 1.00 11.04 H new ATOM 424 N THR A 27 3.100 -15.297 30.011 1.00 32.44 N ATOM 425 CA THR A 27 3.867 -16.199 30.861 1.00 21.42 C ATOM 426 C THR A 27 5.124 -15.519 31.392 1.00 43.23 C ATOM 427 O THR A 27 5.572 -15.799 32.503 1.00 52.43 O ATOM 428 CB THR A 27 4.268 -17.478 30.104 1.00 43.33 C ATOM 429 OG1 THR A 27 4.840 -17.138 28.836 1.00 43.23 O ATOM 430 CG2 THR A 27 3.065 -18.385 29.897 1.00 11.11 C ATOM 0 H THR A 27 2.911 -15.658 29.076 1.00 32.44 H new ATOM 0 HA THR A 27 3.223 -16.469 31.698 1.00 21.42 H new ATOM 0 HB THR A 27 5.006 -18.012 30.703 1.00 43.33 H new ATOM 0 HG1 THR A 27 4.124 -16.956 28.192 1.00 43.23 H new ATOM 0 HG21 THR A 27 3.374 -19.282 29.360 1.00 11.11 H new ATOM 0 HG22 THR A 27 2.651 -18.666 30.865 1.00 11.11 H new ATOM 0 HG23 THR A 27 2.307 -17.858 29.317 1.00 11.11 H new ATOM 438 N THR A 28 5.690 -14.622 30.589 1.00 30.42 N ATOM 439 CA THR A 28 6.896 -13.903 30.977 1.00 4.41 C ATOM 440 C THR A 28 6.597 -12.875 32.062 1.00 13.12 C ATOM 441 O THR A 28 7.490 -12.463 32.803 1.00 64.00 O ATOM 442 CB THR A 28 7.537 -13.190 29.772 1.00 64.03 C ATOM 443 OG1 THR A 28 6.577 -12.337 29.138 1.00 63.55 O ATOM 444 CG2 THR A 28 8.068 -14.200 28.766 1.00 20.21 C ATOM 0 H THR A 28 5.332 -14.377 29.666 1.00 30.42 H new ATOM 0 HA THR A 28 7.595 -14.644 31.365 1.00 4.41 H new ATOM 0 HB THR A 28 8.371 -12.589 30.135 1.00 64.03 H new ATOM 0 HG1 THR A 28 6.994 -11.887 28.374 1.00 63.55 H new ATOM 0 HG21 THR A 28 8.516 -13.673 27.924 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.820 -14.828 29.243 1.00 20.21 H new ATOM 0 HG23 THR A 28 7.248 -14.824 28.409 1.00 20.21 H new ATOM 452 N ALA A 29 5.336 -12.463 32.150 1.00 21.15 N ATOM 453 CA ALA A 29 4.920 -11.484 33.146 1.00 63.21 C ATOM 454 C ALA A 29 3.423 -11.211 33.055 1.00 61.33 C ATOM 455 O ALA A 29 2.880 -11.026 31.966 1.00 2.51 O ATOM 456 CB ALA A 29 5.707 -10.192 32.977 1.00 62.41 C ATOM 0 H ALA A 29 4.585 -12.792 31.543 1.00 21.15 H new ATOM 0 HA ALA A 29 5.128 -11.896 34.134 1.00 63.21 H new ATOM 0 HB1 ALA A 29 5.386 -9.470 33.727 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.771 -10.395 33.100 1.00 62.41 H new ATOM 0 HB3 ALA A 29 5.529 -9.785 31.982 1.00 62.41 H new ATOM 462 N THR A 30 2.760 -11.187 34.207 1.00 64.05 N ATOM 463 CA THR A 30 1.325 -10.937 34.256 1.00 52.03 C ATOM 464 C THR A 30 1.027 -9.445 34.333 1.00 44.32 C ATOM 465 O THR A 30 -0.082 -9.004 34.032 1.00 33.44 O ATOM 466 CB THR A 30 0.674 -11.641 35.462 1.00 73.01 C ATOM 467 OG1 THR A 30 1.198 -11.107 36.683 1.00 1.52 O ATOM 468 CG2 THR A 30 0.920 -13.141 35.412 1.00 41.22 C ATOM 0 H THR A 30 3.194 -11.338 35.118 1.00 64.05 H new ATOM 0 HA THR A 30 0.903 -11.341 33.336 1.00 52.03 H new ATOM 0 HB THR A 30 -0.401 -11.464 35.420 1.00 73.01 H new ATOM 0 HG1 THR A 30 0.778 -11.559 37.444 1.00 1.52 H new ATOM 0 HG21 THR A 30 0.451 -13.616 36.274 1.00 41.22 H new ATOM 0 HG22 THR A 30 0.493 -13.549 34.496 1.00 41.22 H new ATOM 0 HG23 THR A 30 1.993 -13.335 35.430 1.00 41.22 H new ATOM 476 N THR A 31 2.027 -8.666 34.738 1.00 20.21 N ATOM 477 CA THR A 31 1.874 -7.222 34.855 1.00 74.23 C ATOM 478 C THR A 31 1.325 -6.622 33.565 1.00 5.21 C ATOM 479 O THR A 31 0.626 -5.610 33.589 1.00 44.33 O ATOM 480 CB THR A 31 3.212 -6.540 35.197 1.00 70.21 C ATOM 481 OG1 THR A 31 4.139 -6.714 34.120 1.00 65.04 O ATOM 482 CG2 THR A 31 3.800 -7.115 36.477 1.00 32.33 C ATOM 0 H THR A 31 2.952 -9.013 34.990 1.00 20.21 H new ATOM 0 HA THR A 31 1.168 -7.044 35.666 1.00 74.23 H new ATOM 0 HB THR A 31 3.025 -5.477 35.347 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.987 -6.276 34.344 1.00 65.04 H new ATOM 0 HG21 THR A 31 4.745 -6.618 36.699 1.00 32.33 H new ATOM 0 HG22 THR A 31 3.104 -6.956 37.301 1.00 32.33 H new ATOM 0 HG23 THR A 31 3.973 -8.184 36.350 1.00 32.33 H new ATOM 490 N ASN A 32 1.648 -7.252 32.441 1.00 33.34 N ATOM 491 CA ASN A 32 1.187 -6.780 31.141 1.00 52.15 C ATOM 492 C ASN A 32 -0.111 -7.473 30.739 1.00 70.20 C ATOM 493 O ASN A 32 -0.374 -7.686 29.555 1.00 25.25 O ATOM 494 CB ASN A 32 2.259 -7.024 30.076 1.00 21.20 C ATOM 495 CG ASN A 32 2.285 -8.464 29.602 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.844 -9.370 30.309 1.00 74.30 O ATOM 497 ND2 ASN A 32 2.803 -8.681 28.398 1.00 53.21 N ATOM 0 H ASN A 32 2.227 -8.091 32.404 1.00 33.34 H new ATOM 0 HA ASN A 32 0.998 -5.709 31.218 1.00 52.15 H new ATOM 0 HB2 ASN A 32 2.078 -6.367 29.225 1.00 21.20 H new ATOM 0 HB3 ASN A 32 3.236 -6.760 30.480 1.00 21.20 H new ATOM 0 HD21 ASN A 32 2.847 -9.629 28.025 1.00 53.21 H new ATOM 0 HD22 ASN A 32 3.157 -7.899 27.847 1.00 53.21 H new ATOM 504 N GLY A 33 -0.922 -7.823 31.733 1.00 61.22 N ATOM 505 CA GLY A 33 -2.183 -8.488 31.462 1.00 53.12 C ATOM 506 C GLY A 33 -3.148 -7.609 30.692 1.00 52.44 C ATOM 507 O GLY A 33 -3.312 -6.429 31.005 1.00 13.13 O ATOM 0 H GLY A 33 -0.728 -7.658 32.721 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.995 -9.400 30.895 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.642 -8.788 32.404 1.00 53.12 H new ATOM 511 N THR A 34 -3.791 -8.183 29.680 1.00 73.43 N ATOM 512 CA THR A 34 -4.743 -7.444 28.861 1.00 24.51 C ATOM 513 C THR A 34 -6.102 -8.134 28.839 1.00 64.20 C ATOM 514 O THR A 34 -6.212 -9.318 29.158 1.00 40.52 O ATOM 515 CB THR A 34 -4.237 -7.287 27.415 1.00 43.53 C ATOM 516 OG1 THR A 34 -2.825 -7.048 27.414 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.950 -6.141 26.713 1.00 1.21 C ATOM 0 H THR A 34 -3.669 -9.159 29.408 1.00 73.43 H new ATOM 0 HA THR A 34 -4.847 -6.457 29.311 1.00 24.51 H new ATOM 0 HB THR A 34 -4.450 -8.211 26.877 1.00 43.53 H new ATOM 0 HG1 THR A 34 -2.556 -6.678 26.547 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.576 -6.050 25.693 1.00 1.21 H new ATOM 0 HG22 THR A 34 -6.022 -6.339 26.690 1.00 1.21 H new ATOM 0 HG23 THR A 34 -4.764 -5.212 27.252 1.00 1.21 H new ATOM 525 N ILE A 35 -7.134 -7.388 28.460 1.00 53.35 N ATOM 526 CA ILE A 35 -8.485 -7.930 28.395 1.00 41.13 C ATOM 527 C ILE A 35 -8.934 -8.116 26.949 1.00 31.20 C ATOM 528 O ILE A 35 -8.575 -7.332 26.070 1.00 21.21 O ATOM 529 CB ILE A 35 -9.493 -7.019 29.119 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.333 -5.571 28.651 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.308 -7.117 30.627 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.647 -4.843 28.478 1.00 62.41 C ATOM 0 H ILE A 35 -7.060 -6.406 28.193 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.460 -8.899 28.893 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.502 -7.351 28.874 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.720 -5.030 29.372 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -8.794 -5.561 27.704 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -10.028 -6.467 31.125 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.467 -8.147 30.947 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.297 -6.807 30.890 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.457 -3.823 28.145 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.254 -5.360 27.735 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -11.179 -4.821 29.429 1.00 62.41 H new ATOM 544 N THR A 36 -9.723 -9.158 26.710 1.00 11.05 N ATOM 545 CA THR A 36 -10.222 -9.448 25.372 1.00 11.35 C ATOM 546 C THR A 36 -11.249 -8.411 24.931 1.00 20.04 C ATOM 547 O THR A 36 -11.969 -7.847 25.755 1.00 42.14 O ATOM 548 CB THR A 36 -10.861 -10.849 25.301 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.897 -10.965 26.282 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.817 -11.931 25.528 1.00 55.34 C ATOM 0 H THR A 36 -10.031 -9.816 27.426 1.00 11.05 H new ATOM 0 HA THR A 36 -9.364 -9.414 24.701 1.00 11.35 H new ATOM 0 HB THR A 36 -11.287 -10.980 24.306 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.711 -11.311 25.859 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.291 -12.911 25.473 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.045 -11.858 24.762 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.366 -11.801 26.512 1.00 55.34 H new ATOM 558 N ASP A 37 -11.312 -8.164 23.628 1.00 12.13 N ATOM 559 CA ASP A 37 -12.252 -7.195 23.077 1.00 12.53 C ATOM 560 C ASP A 37 -13.601 -7.849 22.789 1.00 15.53 C ATOM 561 O ASP A 37 -13.809 -9.024 23.093 1.00 0.31 O ATOM 562 CB ASP A 37 -11.689 -6.576 21.796 1.00 5.44 C ATOM 563 CG ASP A 37 -10.572 -5.588 22.074 1.00 34.54 C ATOM 564 OD1 ASP A 37 -9.684 -5.441 21.210 1.00 11.40 O ATOM 565 OD2 ASP A 37 -10.587 -4.964 23.156 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.723 -8.622 22.933 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.399 -6.409 23.817 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.317 -7.368 21.146 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.491 -6.072 21.257 1.00 5.44 H new ATOM 570 N PHE A 38 -14.513 -7.081 22.203 1.00 33.31 N ATOM 571 CA PHE A 38 -15.841 -7.584 21.877 1.00 53.25 C ATOM 572 C PHE A 38 -15.751 -8.812 20.975 1.00 61.41 C ATOM 573 O PHE A 38 -16.607 -9.695 21.023 1.00 72.12 O ATOM 574 CB PHE A 38 -16.670 -6.495 21.193 1.00 35.41 C ATOM 575 CG PHE A 38 -16.967 -5.322 22.083 1.00 23.40 C ATOM 576 CD1 PHE A 38 -18.035 -5.356 22.964 1.00 64.43 C ATOM 577 CD2 PHE A 38 -16.177 -4.184 22.037 1.00 13.51 C ATOM 578 CE1 PHE A 38 -18.311 -4.278 23.784 1.00 20.23 C ATOM 579 CE2 PHE A 38 -16.448 -3.103 22.855 1.00 23.43 C ATOM 580 CZ PHE A 38 -17.517 -3.149 23.728 1.00 34.05 C ATOM 0 H PHE A 38 -14.356 -6.107 21.944 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.331 -7.872 22.807 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.137 -6.145 20.309 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.610 -6.927 20.848 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -18.660 -6.236 23.011 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -15.341 -4.141 21.355 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -19.146 -4.318 24.467 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -15.824 -2.223 22.811 1.00 23.43 H new ATOM 0 HZ PHE A 38 -17.732 -2.304 24.366 1.00 34.05 H new ATOM 590 N ASP A 39 -14.709 -8.859 20.153 1.00 22.51 N ATOM 591 CA ASP A 39 -14.505 -9.977 19.239 1.00 30.24 C ATOM 592 C ASP A 39 -13.480 -10.958 19.800 1.00 3.40 C ATOM 593 O ASP A 39 -12.869 -11.725 19.058 1.00 20.40 O ATOM 594 CB ASP A 39 -14.047 -9.470 17.871 1.00 73.22 C ATOM 595 CG ASP A 39 -14.152 -10.532 16.795 1.00 23.23 C ATOM 596 OD1 ASP A 39 -14.919 -11.498 16.988 1.00 51.04 O ATOM 597 OD2 ASP A 39 -13.466 -10.397 15.759 1.00 72.53 O1- ATOM 0 H ASP A 39 -13.992 -8.136 20.101 1.00 22.51 H new ATOM 0 HA ASP A 39 -15.456 -10.498 19.125 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -14.650 -8.608 17.586 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.014 -9.128 17.941 1.00 73.22 H new ATOM 602 N GLY A 40 -13.297 -10.926 21.117 1.00 73.03 N ATOM 603 CA GLY A 40 -12.344 -11.815 21.756 1.00 73.43 C ATOM 604 C GLY A 40 -10.919 -11.559 21.306 1.00 75.31 C ATOM 605 O GLY A 40 -10.090 -12.466 21.303 1.00 64.34 O ATOM 0 H GLY A 40 -13.792 -10.300 21.753 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -12.407 -11.694 22.837 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -12.611 -12.848 21.535 1.00 73.43 H new ATOM 609 N ASN A 41 -10.636 -10.318 20.922 1.00 12.43 N ATOM 610 CA ASN A 41 -9.302 -9.945 20.466 1.00 23.51 C ATOM 611 C ASN A 41 -8.621 -9.023 21.472 1.00 23.24 C ATOM 612 O ASN A 41 -9.190 -8.015 21.891 1.00 21.02 O ATOM 613 CB ASN A 41 -9.382 -9.258 19.101 1.00 52.24 C ATOM 614 CG ASN A 41 -10.033 -10.136 18.049 1.00 71.23 C ATOM 615 OD1 ASN A 41 -10.087 -11.358 18.191 1.00 52.35 O ATOM 616 ND2 ASN A 41 -10.530 -9.514 16.986 1.00 22.41 N ATOM 0 H ASN A 41 -11.312 -9.554 20.918 1.00 12.43 H new ATOM 0 HA ASN A 41 -8.708 -10.855 20.374 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -9.947 -8.331 19.197 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -8.378 -8.987 18.774 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -10.979 -10.051 16.245 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -10.462 -8.499 16.911 1.00 22.41 H new ATOM 623 N PHE A 42 -7.398 -9.376 21.856 1.00 71.21 N ATOM 624 CA PHE A 42 -6.639 -8.581 22.814 1.00 52.03 C ATOM 625 C PHE A 42 -5.375 -8.018 22.171 1.00 31.22 C ATOM 626 O PHE A 42 -4.981 -8.431 21.080 1.00 60.33 O ATOM 627 CB PHE A 42 -6.271 -9.428 24.034 1.00 2.54 C ATOM 628 CG PHE A 42 -5.776 -10.802 23.683 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.613 -10.966 22.948 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.473 -11.928 24.087 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.153 -12.229 22.623 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.018 -13.194 23.767 1.00 3.45 C ATOM 633 CZ PHE A 42 -4.858 -13.344 23.032 1.00 22.53 C ATOM 0 H PHE A 42 -6.912 -10.207 21.518 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.265 -7.748 23.135 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.503 -8.910 24.608 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.144 -9.519 24.680 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.059 -10.097 22.625 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.382 -11.816 24.659 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.244 -12.343 22.051 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -6.569 -14.064 24.091 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.503 -14.332 22.778 1.00 22.53 H new ATOM 643 N THR A 43 -4.741 -7.072 22.857 1.00 70.14 N ATOM 644 CA THR A 43 -3.522 -6.450 22.354 1.00 1.25 C ATOM 645 C THR A 43 -2.365 -6.640 23.329 1.00 72.34 C ATOM 646 O THR A 43 -2.407 -6.155 24.460 1.00 32.41 O ATOM 647 CB THR A 43 -3.723 -4.944 22.102 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.466 -4.325 21.804 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.350 -4.271 23.313 1.00 0.43 C ATOM 0 H THR A 43 -5.052 -6.720 23.762 1.00 70.14 H new ATOM 0 HA THR A 43 -3.283 -6.941 21.410 1.00 1.25 H new ATOM 0 HB THR A 43 -4.396 -4.827 21.253 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.603 -3.368 21.644 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.482 -3.208 23.111 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.320 -4.724 23.520 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.698 -4.398 24.178 1.00 0.43 H new ATOM 657 N LEU A 44 -1.333 -7.349 22.883 1.00 30.33 N ATOM 658 CA LEU A 44 -0.163 -7.603 23.717 1.00 30.51 C ATOM 659 C LEU A 44 1.119 -7.526 22.894 1.00 15.23 C ATOM 660 O LEU A 44 1.328 -8.319 21.977 1.00 43.42 O ATOM 661 CB LEU A 44 -0.274 -8.976 24.381 1.00 2.24 C ATOM 662 CG LEU A 44 -1.208 -9.065 25.589 1.00 41.34 C ATOM 663 CD1 LEU A 44 -2.657 -9.164 25.138 1.00 14.32 C ATOM 664 CD2 LEU A 44 -0.837 -10.254 26.464 1.00 72.23 C ATOM 0 H LEU A 44 -1.283 -7.758 21.950 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.124 -6.835 24.489 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -0.612 -9.693 23.633 1.00 2.24 H new ATOM 0 HB3 LEU A 44 0.723 -9.287 24.694 1.00 2.24 H new ATOM 0 HG LEU A 44 -1.094 -8.156 26.179 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -3.306 -9.226 26.011 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -2.918 -8.281 24.554 1.00 14.32 H new ATOM 0 HD13 LEU A 44 -2.787 -10.056 24.525 1.00 14.32 H new ATOM 0 HD21 LEU A 44 -1.512 -10.302 27.319 1.00 72.23 H new ATOM 0 HD22 LEU A 44 -0.921 -11.173 25.884 1.00 72.23 H new ATOM 0 HD23 LEU A 44 0.188 -10.140 26.817 1.00 72.23 H new ATOM 676 N SER A 45 1.974 -6.566 23.230 1.00 73.42 N ATOM 677 CA SER A 45 3.236 -6.383 22.522 1.00 30.11 C ATOM 678 C SER A 45 4.411 -6.848 23.376 1.00 54.45 C ATOM 679 O SER A 45 4.773 -6.199 24.357 1.00 53.14 O ATOM 680 CB SER A 45 3.420 -4.914 22.135 1.00 12.24 C ATOM 681 OG SER A 45 2.279 -4.419 21.455 1.00 52.35 O ATOM 0 H SER A 45 1.816 -5.902 23.988 1.00 73.42 H new ATOM 0 HA SER A 45 3.207 -6.988 21.616 1.00 30.11 H new ATOM 0 HB2 SER A 45 3.601 -4.319 23.030 1.00 12.24 H new ATOM 0 HB3 SER A 45 4.300 -4.809 21.500 1.00 12.24 H new ATOM 0 HG SER A 45 2.421 -3.478 21.220 1.00 52.35 H new ATOM 687 N VAL A 46 5.003 -7.975 22.994 1.00 11.02 N ATOM 688 CA VAL A 46 6.138 -8.527 23.724 1.00 13.10 C ATOM 689 C VAL A 46 7.334 -8.739 22.802 1.00 41.33 C ATOM 690 O VAL A 46 7.194 -8.884 21.587 1.00 34.03 O ATOM 691 CB VAL A 46 5.777 -9.866 24.395 1.00 71.43 C ATOM 692 CG1 VAL A 46 4.959 -9.628 25.655 1.00 64.43 C ATOM 693 CG2 VAL A 46 5.027 -10.763 23.423 1.00 21.52 C ATOM 0 H VAL A 46 4.716 -8.523 22.183 1.00 11.02 H new ATOM 0 HA VAL A 46 6.401 -7.802 24.495 1.00 13.10 H new ATOM 0 HB VAL A 46 6.700 -10.371 24.680 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.713 -10.585 26.115 1.00 64.43 H new ATOM 0 HG12 VAL A 46 5.537 -9.026 26.356 1.00 64.43 H new ATOM 0 HG13 VAL A 46 4.039 -9.102 25.398 1.00 64.43 H new ATOM 0 HG21 VAL A 46 4.780 -11.705 23.913 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.110 -10.268 23.105 1.00 21.52 H new ATOM 0 HG23 VAL A 46 5.653 -10.961 22.553 1.00 21.52 H new ATOM 703 N PRO A 47 8.539 -8.757 23.390 1.00 12.13 N ATOM 704 CA PRO A 47 9.783 -8.952 22.640 1.00 2.21 C ATOM 705 C PRO A 47 9.917 -10.371 22.098 1.00 41.24 C ATOM 706 O PRO A 47 10.225 -10.572 20.923 1.00 33.23 O ATOM 707 CB PRO A 47 10.872 -8.671 23.678 1.00 32.44 C ATOM 708 CG PRO A 47 10.228 -8.962 24.990 1.00 60.01 C ATOM 709 CD PRO A 47 8.779 -8.589 24.833 1.00 52.01 C ATOM 0 HA PRO A 47 9.835 -8.307 21.763 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.745 -9.303 23.517 1.00 32.44 H new ATOM 0 HB3 PRO A 47 11.213 -7.637 23.625 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.334 -10.015 25.251 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.694 -8.387 25.790 1.00 60.01 H new ATOM 0 HD2 PRO A 47 8.131 -9.234 25.426 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.590 -7.565 25.155 1.00 52.01 H new ATOM 717 N VAL A 48 9.684 -11.354 22.963 1.00 62.33 N ATOM 718 CA VAL A 48 9.778 -12.755 22.570 1.00 40.41 C ATOM 719 C VAL A 48 8.394 -13.367 22.384 1.00 23.10 C ATOM 720 O VAL A 48 7.426 -12.938 23.010 1.00 71.24 O ATOM 721 CB VAL A 48 10.555 -13.579 23.613 1.00 11.01 C ATOM 722 CG1 VAL A 48 9.774 -13.667 24.915 1.00 61.40 C ATOM 723 CG2 VAL A 48 10.865 -14.966 23.072 1.00 30.33 C ATOM 0 H VAL A 48 9.429 -11.206 23.939 1.00 62.33 H new ATOM 0 HA VAL A 48 10.315 -12.783 21.622 1.00 40.41 H new ATOM 0 HB VAL A 48 11.499 -13.075 23.818 1.00 11.01 H new ATOM 0 HG11 VAL A 48 10.339 -14.253 25.639 1.00 61.40 H new ATOM 0 HG12 VAL A 48 9.609 -12.664 25.309 1.00 61.40 H new ATOM 0 HG13 VAL A 48 8.813 -14.147 24.731 1.00 61.40 H new ATOM 0 HG21 VAL A 48 11.414 -15.535 23.822 1.00 30.33 H new ATOM 0 HG22 VAL A 48 9.934 -15.481 22.836 1.00 30.33 H new ATOM 0 HG23 VAL A 48 11.469 -14.878 22.169 1.00 30.33 H new ATOM 733 N ASN A 49 8.309 -14.372 21.519 1.00 53.04 N ATOM 734 CA ASN A 49 7.044 -15.044 21.250 1.00 3.42 C ATOM 735 C ASN A 49 6.781 -16.142 22.277 1.00 15.14 C ATOM 736 O ASN A 49 6.802 -17.328 21.951 1.00 41.55 O ATOM 737 CB ASN A 49 7.048 -15.639 19.840 1.00 63.41 C ATOM 738 CG ASN A 49 7.341 -14.601 18.775 1.00 20.23 C ATOM 739 OD1 ASN A 49 8.486 -14.431 18.357 1.00 0.21 O ATOM 740 ND2 ASN A 49 6.304 -13.899 18.332 1.00 2.13 N ATOM 0 H ASN A 49 9.102 -14.739 20.992 1.00 53.04 H new ATOM 0 HA ASN A 49 6.246 -14.305 21.323 1.00 3.42 H new ATOM 0 HB2 ASN A 49 7.794 -16.432 19.785 1.00 63.41 H new ATOM 0 HB3 ASN A 49 6.080 -16.098 19.640 1.00 63.41 H new ATOM 0 HD21 ASN A 49 6.440 -13.185 17.616 1.00 2.13 H new ATOM 0 HD22 ASN A 49 5.372 -14.074 18.707 1.00 2.13 H new ATOM 747 N SER A 50 6.534 -15.737 23.518 1.00 44.25 N ATOM 748 CA SER A 50 6.271 -16.686 24.593 1.00 32.14 C ATOM 749 C SER A 50 4.823 -17.165 24.553 1.00 64.13 C ATOM 750 O SER A 50 4.096 -16.903 23.594 1.00 43.22 O ATOM 751 CB SER A 50 6.570 -16.047 25.951 1.00 24.20 C ATOM 752 OG SER A 50 6.763 -17.034 26.949 1.00 2.44 O ATOM 0 H SER A 50 6.510 -14.758 23.804 1.00 44.25 H new ATOM 0 HA SER A 50 6.925 -17.547 24.452 1.00 32.14 H new ATOM 0 HB2 SER A 50 7.461 -15.424 25.875 1.00 24.20 H new ATOM 0 HB3 SER A 50 5.747 -15.392 26.237 1.00 24.20 H new ATOM 0 HG SER A 50 6.066 -16.948 27.633 1.00 2.44 H new ATOM 758 N THR A 51 4.409 -17.870 25.602 1.00 5.13 N ATOM 759 CA THR A 51 3.049 -18.388 25.687 1.00 65.34 C ATOM 760 C THR A 51 2.115 -17.373 26.335 1.00 50.11 C ATOM 761 O THR A 51 2.558 -16.467 27.041 1.00 60.11 O ATOM 762 CB THR A 51 2.998 -19.702 26.490 1.00 55.53 C ATOM 763 OG1 THR A 51 4.227 -20.419 26.333 1.00 72.33 O ATOM 764 CG2 THR A 51 1.836 -20.570 26.031 1.00 1.44 C ATOM 0 H THR A 51 4.997 -18.095 26.405 1.00 5.13 H new ATOM 0 HA THR A 51 2.719 -18.582 24.666 1.00 65.34 H new ATOM 0 HB THR A 51 2.854 -19.455 27.542 1.00 55.53 H new ATOM 0 HG1 THR A 51 4.188 -21.252 26.848 1.00 72.33 H new ATOM 0 HG21 THR A 51 1.819 -21.492 26.611 1.00 1.44 H new ATOM 0 HG22 THR A 51 0.900 -20.032 26.178 1.00 1.44 H new ATOM 0 HG23 THR A 51 1.955 -20.809 24.974 1.00 1.44 H new ATOM 772 N LEU A 52 0.818 -17.531 26.092 1.00 33.00 N ATOM 773 CA LEU A 52 -0.181 -16.628 26.653 1.00 60.43 C ATOM 774 C LEU A 52 -1.225 -17.401 27.454 1.00 61.44 C ATOM 775 O LEU A 52 -1.719 -18.439 27.012 1.00 62.04 O ATOM 776 CB LEU A 52 -0.863 -15.833 25.539 1.00 25.32 C ATOM 777 CG LEU A 52 -0.029 -14.723 24.899 1.00 24.22 C ATOM 778 CD1 LEU A 52 -0.496 -14.455 23.477 1.00 0.43 C ATOM 779 CD2 LEU A 52 -0.101 -13.453 25.735 1.00 44.14 C ATOM 0 H LEU A 52 0.434 -18.276 25.510 1.00 33.00 H new ATOM 0 HA LEU A 52 0.328 -15.936 27.325 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -1.166 -16.529 24.757 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -1.774 -15.389 25.942 1.00 25.32 H new ATOM 0 HG LEU A 52 1.010 -15.051 24.861 1.00 24.22 H new ATOM 0 HD11 LEU A 52 0.110 -13.662 23.038 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -0.391 -15.363 22.882 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -1.542 -14.148 23.489 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.498 -12.673 25.265 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -1.137 -13.122 25.805 1.00 44.14 H new ATOM 0 HD23 LEU A 52 0.284 -13.653 26.735 1.00 44.14 H new ATOM 791 N LYS A 53 -1.558 -16.887 28.633 1.00 74.15 N ATOM 792 CA LYS A 53 -2.546 -17.525 29.495 1.00 74.21 C ATOM 793 C LYS A 53 -3.861 -16.754 29.479 1.00 31.10 C ATOM 794 O LYS A 53 -3.881 -15.538 29.670 1.00 13.00 O ATOM 795 CB LYS A 53 -2.015 -17.622 30.927 1.00 14.13 C ATOM 796 CG LYS A 53 -3.035 -18.160 31.918 1.00 13.04 C ATOM 797 CD LYS A 53 -3.833 -17.039 32.560 1.00 71.31 C ATOM 798 CE LYS A 53 -3.270 -16.665 33.923 1.00 44.24 C ATOM 799 NZ LYS A 53 -3.840 -15.384 34.426 1.00 24.22 N1+ ATOM 0 H LYS A 53 -1.158 -16.030 29.014 1.00 74.15 H new ATOM 0 HA LYS A 53 -2.731 -18.529 29.114 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -1.136 -18.266 30.937 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -1.690 -16.634 31.253 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.713 -18.845 31.408 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.525 -18.734 32.692 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -3.824 -16.165 31.909 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -4.873 -17.346 32.666 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -3.483 -17.462 34.635 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -2.185 -16.579 33.857 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -3.216 -14.990 35.159 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -3.921 -14.708 33.640 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -4.782 -15.558 34.831 1.00 24.22 H new ATOM 813 N ILE A 54 -4.958 -17.469 29.254 1.00 64.31 N ATOM 814 CA ILE A 54 -6.278 -16.851 29.216 1.00 34.23 C ATOM 815 C ILE A 54 -7.220 -17.506 30.221 1.00 24.45 C ATOM 816 O ILE A 54 -7.285 -18.731 30.322 1.00 52.53 O ATOM 817 CB ILE A 54 -6.902 -16.941 27.811 1.00 12.32 C ATOM 818 CG1 ILE A 54 -6.017 -16.222 26.789 1.00 50.32 C ATOM 819 CG2 ILE A 54 -8.304 -16.349 27.814 1.00 55.33 C ATOM 820 CD1 ILE A 54 -6.088 -16.820 25.402 1.00 73.40 C ATOM 0 H ILE A 54 -4.959 -18.477 29.095 1.00 64.31 H new ATOM 0 HA ILE A 54 -6.143 -15.802 29.478 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.973 -17.991 27.528 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -6.311 -15.174 26.739 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -4.983 -16.247 27.134 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -8.731 -16.420 26.814 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.930 -16.900 28.516 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -8.256 -15.302 28.114 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -5.436 -16.261 24.731 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -5.765 -17.861 25.437 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -7.114 -16.771 25.037 1.00 73.40 H new ATOM 832 N THR A 55 -7.952 -16.680 30.962 1.00 53.10 N ATOM 833 CA THR A 55 -8.892 -17.177 31.959 1.00 62.11 C ATOM 834 C THR A 55 -10.070 -16.224 32.127 1.00 50.41 C ATOM 835 O THR A 55 -9.899 -15.005 32.133 1.00 11.34 O ATOM 836 CB THR A 55 -8.208 -17.376 33.324 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.484 -16.196 33.687 1.00 12.50 O ATOM 838 CG2 THR A 55 -7.262 -18.567 33.288 1.00 13.32 C ATOM 0 H THR A 55 -7.912 -15.663 30.890 1.00 53.10 H new ATOM 0 HA THR A 55 -9.256 -18.139 31.599 1.00 62.11 H new ATOM 0 HB THR A 55 -8.982 -17.569 34.067 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.054 -16.331 34.557 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.791 -18.687 34.264 1.00 13.32 H new ATOM 0 HG22 THR A 55 -7.822 -19.469 33.042 1.00 13.32 H new ATOM 0 HG23 THR A 55 -6.494 -18.399 32.533 1.00 13.32 H new ATOM 846 N TYR A 56 -11.265 -16.789 32.264 1.00 11.42 N ATOM 847 CA TYR A 56 -12.473 -15.988 32.431 1.00 11.02 C ATOM 848 C TYR A 56 -13.387 -16.597 33.489 1.00 62.40 C ATOM 849 O TYR A 56 -13.751 -17.771 33.410 1.00 41.44 O ATOM 850 CB TYR A 56 -13.219 -15.871 31.101 1.00 44.12 C ATOM 851 CG TYR A 56 -14.352 -14.870 31.129 1.00 65.43 C ATOM 852 CD1 TYR A 56 -14.200 -13.637 31.752 1.00 22.43 C ATOM 853 CD2 TYR A 56 -15.575 -15.157 30.533 1.00 4.15 C ATOM 854 CE1 TYR A 56 -15.232 -12.719 31.781 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.612 -14.244 30.557 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.436 -13.027 31.181 1.00 31.42 C ATOM 857 OH TYR A 56 -17.467 -12.116 31.207 1.00 41.25 O ATOM 0 H TYR A 56 -11.423 -17.797 32.263 1.00 11.42 H new ATOM 0 HA TYR A 56 -12.177 -14.993 32.762 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.512 -15.586 30.321 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.616 -16.849 30.829 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -13.259 -13.392 32.222 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -15.717 -16.109 30.043 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -15.097 -11.766 32.270 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -17.556 -14.482 30.089 1.00 41.03 H new ATOM 0 HH TYR A 56 -18.244 -12.488 30.739 1.00 41.25 H new ATOM 867 N ILE A 57 -13.756 -15.790 34.478 1.00 62.21 N ATOM 868 CA ILE A 57 -14.630 -16.247 35.551 1.00 35.22 C ATOM 869 C ILE A 57 -15.881 -16.918 34.994 1.00 41.02 C ATOM 870 O ILE A 57 -16.766 -16.254 34.455 1.00 74.23 O ATOM 871 CB ILE A 57 -15.050 -15.084 36.469 1.00 72.44 C ATOM 872 CG1 ILE A 57 -16.093 -15.558 37.484 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.592 -13.927 35.645 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.635 -16.731 38.320 1.00 34.03 C ATOM 0 H ILE A 57 -13.463 -14.816 34.558 1.00 62.21 H new ATOM 0 HA ILE A 57 -14.061 -16.972 36.134 1.00 35.22 H new ATOM 0 HB ILE A 57 -14.172 -14.736 37.014 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.348 -14.729 38.145 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -17.004 -15.834 36.954 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.884 -13.113 36.309 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.821 -13.576 34.959 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.460 -14.261 35.076 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.425 -17.012 39.016 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.408 -17.575 37.669 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -14.741 -16.453 38.878 1.00 34.03 H new ATOM 886 N GLY A 58 -15.949 -18.238 35.129 1.00 41.22 N ATOM 887 CA GLY A 58 -17.096 -18.977 34.635 1.00 34.45 C ATOM 888 C GLY A 58 -16.705 -20.289 33.984 1.00 45.03 C ATOM 889 O GLY A 58 -17.303 -21.330 34.259 1.00 23.42 O ATOM 0 H GLY A 58 -15.230 -18.810 35.572 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.780 -19.174 35.460 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.636 -18.364 33.913 1.00 34.45 H new ATOM 893 N TYR A 59 -15.700 -20.240 33.116 1.00 61.23 N ATOM 894 CA TYR A 59 -15.233 -21.433 32.421 1.00 30.13 C ATOM 895 C TYR A 59 -13.828 -21.816 32.878 1.00 1.25 C ATOM 896 O TYR A 59 -13.171 -21.065 33.599 1.00 60.34 O ATOM 897 CB TYR A 59 -15.244 -21.205 30.909 1.00 42.25 C ATOM 898 CG TYR A 59 -16.628 -21.236 30.302 1.00 43.24 C ATOM 899 CD1 TYR A 59 -16.955 -22.157 29.313 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.611 -20.345 30.716 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.218 -22.189 28.756 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.877 -20.371 30.165 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.176 -21.294 29.185 1.00 4.31 C ATOM 904 OH TYR A 59 -20.436 -21.322 28.632 1.00 24.41 O ATOM 0 H TYR A 59 -15.194 -19.387 32.877 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.910 -22.252 32.664 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.783 -20.242 30.692 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.629 -21.968 30.431 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.208 -22.860 28.975 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.381 -19.619 31.482 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.455 -22.911 27.988 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.629 -19.672 30.500 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.816 -22.220 28.730 1.00 24.41 H new ATOM 914 N LYS A 60 -13.374 -22.990 32.453 1.00 52.23 N ATOM 915 CA LYS A 60 -12.047 -23.474 32.815 1.00 72.32 C ATOM 916 C LYS A 60 -10.961 -22.633 32.153 1.00 51.35 C ATOM 917 O LYS A 60 -11.189 -21.965 31.144 1.00 73.04 O ATOM 918 CB LYS A 60 -11.889 -24.941 32.409 1.00 13.13 C ATOM 919 CG LYS A 60 -12.251 -25.920 33.514 1.00 75.30 C ATOM 920 CD LYS A 60 -11.467 -27.216 33.390 1.00 4.44 C ATOM 921 CE LYS A 60 -11.660 -28.103 34.609 1.00 2.10 C ATOM 922 NZ LYS A 60 -10.782 -29.306 34.566 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.906 -23.624 31.857 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.939 -23.388 33.896 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.517 -25.139 31.540 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.857 -25.116 32.104 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -12.052 -25.465 34.484 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.319 -26.135 33.476 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.786 -27.751 32.495 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -10.408 -26.991 33.266 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.447 -27.530 35.512 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -12.702 -28.416 34.669 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -10.944 -29.885 35.415 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -11.002 -29.866 33.718 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -9.786 -29.008 34.535 1.00 3.41 H new ATOM 936 N PRO A 61 -9.752 -22.665 32.731 1.00 20.42 N ATOM 937 CA PRO A 61 -8.605 -21.913 32.211 1.00 52.34 C ATOM 938 C PRO A 61 -8.097 -22.473 30.887 1.00 43.11 C ATOM 939 O PRO A 61 -8.368 -23.622 30.542 1.00 71.32 O ATOM 940 CB PRO A 61 -7.547 -22.079 33.304 1.00 12.55 C ATOM 941 CG PRO A 61 -7.908 -23.350 33.991 1.00 64.21 C ATOM 942 CD PRO A 61 -9.408 -23.440 33.935 1.00 62.33 C ATOM 0 HA PRO A 61 -8.860 -20.874 32.000 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.544 -22.129 32.880 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.558 -21.238 33.997 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.447 -24.205 33.497 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.555 -23.350 35.022 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.746 -24.473 33.858 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.869 -23.020 34.829 1.00 62.33 H new ATOM 950 N VAL A 62 -7.356 -21.652 30.149 1.00 41.12 N ATOM 951 CA VAL A 62 -6.807 -22.065 28.864 1.00 22.22 C ATOM 952 C VAL A 62 -5.509 -21.326 28.556 1.00 13.54 C ATOM 953 O VAL A 62 -5.386 -20.129 28.818 1.00 74.11 O ATOM 954 CB VAL A 62 -7.808 -21.819 27.720 1.00 23.31 C ATOM 955 CG1 VAL A 62 -8.058 -20.329 27.540 1.00 24.54 C ATOM 956 CG2 VAL A 62 -7.306 -22.443 26.427 1.00 33.21 C ATOM 0 H VAL A 62 -7.122 -20.697 30.420 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.605 -23.134 28.937 1.00 22.22 H new ATOM 0 HB VAL A 62 -8.754 -22.293 27.981 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -8.768 -20.175 26.727 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.466 -19.915 28.462 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -7.119 -19.829 27.302 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -8.027 -22.259 25.630 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -6.347 -22.001 26.158 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -7.184 -23.517 26.565 1.00 33.21 H new ATOM 966 N THR A 63 -4.542 -22.047 27.998 1.00 11.33 N ATOM 967 CA THR A 63 -3.252 -21.460 27.654 1.00 11.40 C ATOM 968 C THR A 63 -2.837 -21.835 26.236 1.00 54.21 C ATOM 969 O THR A 63 -2.945 -22.993 25.833 1.00 35.44 O ATOM 970 CB THR A 63 -2.152 -21.909 28.635 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.367 -23.270 29.024 1.00 22.11 O ATOM 972 CG2 THR A 63 -2.133 -21.020 29.870 1.00 60.11 C ATOM 0 H THR A 63 -4.627 -23.039 27.774 1.00 11.33 H new ATOM 0 HA THR A 63 -3.369 -20.378 27.720 1.00 11.40 H new ATOM 0 HB THR A 63 -1.190 -21.824 28.130 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.662 -23.548 29.646 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.349 -21.356 30.548 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.939 -19.989 29.573 1.00 60.11 H new ATOM 0 HG23 THR A 63 -3.098 -21.077 30.374 1.00 60.11 H new ATOM 980 N VAL A 64 -2.361 -20.849 25.484 1.00 54.51 N ATOM 981 CA VAL A 64 -1.928 -21.076 24.110 1.00 53.21 C ATOM 982 C VAL A 64 -0.726 -20.205 23.761 1.00 13.32 C ATOM 983 O VAL A 64 -0.547 -19.123 24.320 1.00 10.04 O ATOM 984 CB VAL A 64 -3.063 -20.791 23.109 1.00 74.21 C ATOM 985 CG1 VAL A 64 -4.190 -21.800 23.276 1.00 21.00 C ATOM 986 CG2 VAL A 64 -3.578 -19.370 23.280 1.00 14.45 C ATOM 0 H VAL A 64 -2.265 -19.885 25.803 1.00 54.51 H new ATOM 0 HA VAL A 64 -1.645 -22.126 24.037 1.00 53.21 H new ATOM 0 HB VAL A 64 -2.667 -20.891 22.099 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.983 -21.582 22.560 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -3.808 -22.805 23.099 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -4.588 -21.736 24.289 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -4.380 -19.185 22.565 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.958 -19.240 24.293 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.765 -18.665 23.104 1.00 14.45 H new ATOM 996 N LYS A 65 0.095 -20.684 22.834 1.00 23.50 N ATOM 997 CA LYS A 65 1.280 -19.950 22.407 1.00 33.44 C ATOM 998 C LYS A 65 0.894 -18.623 21.761 1.00 51.13 C ATOM 999 O LYS A 65 -0.213 -18.471 21.248 1.00 14.12 O ATOM 1000 CB LYS A 65 2.100 -20.788 21.425 1.00 53.40 C ATOM 1001 CG LYS A 65 3.003 -21.806 22.098 1.00 44.43 C ATOM 1002 CD LYS A 65 2.313 -23.152 22.249 1.00 43.14 C ATOM 1003 CE LYS A 65 1.834 -23.377 23.674 1.00 1.42 C ATOM 1004 NZ LYS A 65 2.935 -23.841 24.563 1.00 70.32 N1+ ATOM 0 H LYS A 65 -0.038 -21.579 22.363 1.00 23.50 H new ATOM 0 HA LYS A 65 1.885 -19.743 23.290 1.00 33.44 H new ATOM 0 HB2 LYS A 65 1.421 -21.308 20.750 1.00 53.40 H new ATOM 0 HB3 LYS A 65 2.710 -20.122 20.814 1.00 53.40 H new ATOM 0 HG2 LYS A 65 3.915 -21.927 21.513 1.00 44.43 H new ATOM 0 HG3 LYS A 65 3.301 -21.437 23.079 1.00 44.43 H new ATOM 0 HD2 LYS A 65 1.465 -23.206 21.566 1.00 43.14 H new ATOM 0 HD3 LYS A 65 3.001 -23.948 21.966 1.00 43.14 H new ATOM 0 HE2 LYS A 65 1.416 -22.450 24.067 1.00 1.42 H new ATOM 0 HE3 LYS A 65 1.031 -24.114 23.675 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 2.568 -23.983 25.526 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 3.317 -24.739 24.203 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 3.690 -23.126 24.583 1.00 70.32 H new ATOM 1018 N ALA A 66 1.816 -17.665 21.791 1.00 25.33 N ATOM 1019 CA ALA A 66 1.573 -16.353 21.204 1.00 72.41 C ATOM 1020 C ALA A 66 2.012 -16.314 19.745 1.00 62.14 C ATOM 1021 O ALA A 66 3.178 -16.550 19.430 1.00 13.22 O ATOM 1022 CB ALA A 66 2.295 -15.277 22.003 1.00 71.52 C ATOM 0 H ALA A 66 2.737 -17.773 22.215 1.00 25.33 H new ATOM 0 HA ALA A 66 0.501 -16.160 21.238 1.00 72.41 H new ATOM 0 HB1 ALA A 66 2.105 -14.302 21.554 1.00 71.52 H new ATOM 0 HB2 ALA A 66 1.931 -15.281 23.030 1.00 71.52 H new ATOM 0 HB3 ALA A 66 3.366 -15.477 21.997 1.00 71.52 H new ATOM 1028 N ALA A 67 1.069 -16.017 18.856 1.00 60.43 N ATOM 1029 CA ALA A 67 1.358 -15.946 17.430 1.00 33.34 C ATOM 1030 C ALA A 67 0.508 -14.878 16.749 1.00 63.13 C ATOM 1031 O ALA A 67 -0.310 -14.222 17.391 1.00 55.04 O ATOM 1032 CB ALA A 67 1.128 -17.301 16.776 1.00 32.31 C ATOM 0 H ALA A 67 0.098 -15.822 19.099 1.00 60.43 H new ATOM 0 HA ALA A 67 2.406 -15.670 17.311 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.348 -17.233 15.711 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.782 -18.042 17.235 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.089 -17.600 16.914 1.00 32.31 H new ATOM 1038 N ALA A 68 0.711 -14.708 15.447 1.00 60.23 N ATOM 1039 CA ALA A 68 -0.037 -13.721 14.679 1.00 73.13 C ATOM 1040 C ALA A 68 -1.539 -13.906 14.863 1.00 2.42 C ATOM 1041 O ALA A 68 -2.276 -12.937 15.052 1.00 53.41 O ATOM 1042 CB ALA A 68 0.331 -13.807 13.206 1.00 13.31 C ATOM 0 H ALA A 68 1.388 -15.242 14.902 1.00 60.23 H new ATOM 0 HA ALA A 68 0.229 -12.731 15.050 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.236 -13.064 12.645 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.397 -13.617 13.086 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.095 -14.802 12.830 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.988 -15.156 14.806 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.403 -15.467 14.965 1.00 43.13 C ATOM 1050 C ILE A 69 -3.594 -16.820 15.643 1.00 23.51 C ATOM 1051 O ILE A 69 -3.284 -17.863 15.068 1.00 14.30 O ATOM 1052 CB ILE A 69 -4.135 -15.475 13.611 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.940 -14.138 12.893 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.615 -15.765 13.810 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -4.614 -14.074 11.540 1.00 23.11 C ATOM 0 H ILE A 69 -1.392 -15.969 14.651 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.830 -14.684 15.592 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.711 -16.264 12.990 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.329 -13.337 13.522 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.873 -13.955 12.767 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -6.119 -15.767 12.843 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.734 -16.739 14.284 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -6.054 -14.996 14.446 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -4.434 -13.098 11.089 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -4.208 -14.853 10.894 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -5.687 -14.225 11.660 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.111 -16.795 16.867 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.348 -18.019 17.622 1.00 74.42 C ATOM 1069 C VAL A 70 -5.768 -18.059 18.174 1.00 52.51 C ATOM 1070 O VAL A 70 -6.221 -17.116 18.821 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.352 -18.161 18.789 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.407 -16.936 19.690 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -3.636 -19.429 19.581 1.00 74.33 C ATOM 0 H VAL A 70 -4.374 -15.940 17.357 1.00 42.53 H new ATOM 0 HA VAL A 70 -4.207 -18.849 16.930 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.345 -18.235 18.378 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -2.697 -17.054 20.509 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.151 -16.048 19.113 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -4.413 -16.827 20.095 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -2.923 -19.513 20.401 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -4.648 -19.388 19.983 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.540 -20.296 18.927 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.468 -19.160 17.914 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.838 -19.324 18.384 1.00 11.52 C ATOM 1085 C ASN A 71 -7.874 -20.106 19.693 1.00 55.40 C ATOM 1086 O ASN A 71 -7.166 -21.100 19.854 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.681 -20.037 17.325 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.901 -19.185 16.090 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -9.361 -17.957 16.294 1.00 10.31 O flip ATOM 1090 ND2 ASN A 71 -8.661 -19.628 14.967 1.00 50.40 N flip ATOM 0 H ASN A 71 -6.108 -19.951 17.380 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.256 -18.333 18.563 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -8.189 -20.967 17.039 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.646 -20.306 17.754 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -8.308 -20.579 14.859 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -8.815 -19.044 14.145 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.706 -19.652 20.624 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.838 -20.311 21.919 1.00 24.20 C ATOM 1099 C VAL A 72 -10.287 -20.690 22.199 1.00 31.43 C ATOM 1100 O VAL A 72 -11.214 -20.010 21.756 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.323 -19.414 23.060 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.274 -20.188 24.368 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.955 -18.846 22.715 1.00 24.11 C ATOM 0 H VAL A 72 -9.299 -18.831 20.506 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.232 -21.216 21.876 1.00 24.20 H new ATOM 0 HB VAL A 72 -9.016 -18.582 23.185 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.908 -19.538 25.162 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.274 -20.540 24.620 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.605 -21.042 24.261 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.607 -18.215 23.532 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.250 -19.663 22.562 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -7.027 -18.253 21.803 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.477 -21.777 22.938 1.00 10.54 N ATOM 1114 CA LEU A 73 -11.815 -22.248 23.277 1.00 72.02 C ATOM 1115 C LEU A 73 -11.954 -22.453 24.783 1.00 3.23 C ATOM 1116 O LEU A 73 -11.163 -23.171 25.397 1.00 44.43 O ATOM 1117 CB LEU A 73 -12.122 -23.553 22.543 1.00 3.23 C ATOM 1118 CG LEU A 73 -12.162 -23.470 21.016 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -10.833 -23.911 20.423 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -13.301 -24.316 20.466 1.00 64.32 C ATOM 0 H LEU A 73 -9.721 -22.349 23.314 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.530 -21.487 22.964 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -11.373 -24.292 22.827 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -13.085 -23.925 22.892 1.00 3.23 H new ATOM 0 HG LEU A 73 -12.337 -22.432 20.732 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -10.880 -23.845 19.336 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -10.037 -23.264 20.792 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -10.628 -24.941 20.716 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -13.315 -24.245 19.378 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -13.157 -25.356 20.760 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -14.249 -23.954 20.865 1.00 64.32 H new ATOM 1132 N LEU A 74 -12.964 -21.822 25.371 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.207 -21.938 26.804 1.00 22.25 C ATOM 1134 C LEU A 74 -14.175 -23.079 27.102 1.00 10.24 C ATOM 1135 O LEU A 74 -15.324 -23.062 26.662 1.00 22.34 O ATOM 1136 CB LEU A 74 -13.767 -20.625 27.354 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.067 -20.062 28.592 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.574 -19.915 28.339 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -13.677 -18.725 28.988 1.00 34.41 C ATOM 0 H LEU A 74 -13.628 -21.225 24.878 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.257 -22.155 27.292 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -13.723 -19.875 26.564 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -14.820 -20.774 27.593 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.209 -20.761 29.416 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.092 -19.513 29.230 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.147 -20.890 28.104 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -11.412 -19.236 27.502 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.167 -18.339 29.871 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -13.566 -18.017 28.167 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -14.735 -18.860 29.211 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.701 -24.068 27.853 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.524 -25.217 28.210 1.00 73.42 C ATOM 1153 C GLU A 75 -15.155 -25.029 29.587 1.00 44.11 C ATOM 1154 O GLU A 75 -14.493 -24.593 30.528 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.687 -26.498 28.191 1.00 3.14 C ATOM 1156 CG GLU A 75 -12.540 -26.490 29.187 1.00 21.34 C ATOM 1157 CD GLU A 75 -11.596 -27.663 29.000 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -11.262 -27.977 27.838 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -11.194 -28.266 30.016 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.752 -24.096 28.226 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.322 -25.302 27.473 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -14.335 -27.349 28.403 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -13.285 -26.645 27.188 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -11.982 -25.559 29.085 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -12.943 -26.511 30.200 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.438 -25.358 29.694 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.158 -25.224 30.955 1.00 55.40 C ATOM 1168 C GLU A 76 -16.411 -25.926 32.085 1.00 52.44 C ATOM 1169 O GLU A 76 -15.775 -26.959 31.877 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.569 -25.801 30.826 1.00 21.40 C ATOM 1171 CG GLU A 76 -19.344 -25.255 29.639 1.00 75.12 C ATOM 1172 CD GLU A 76 -20.436 -24.287 30.051 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -20.336 -23.715 31.156 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -21.392 -24.102 29.268 1.00 33.35 O1- ATOM 0 H GLU A 76 -17.000 -25.719 28.923 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.228 -24.163 31.193 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.502 -26.885 30.738 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.124 -25.589 31.740 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.655 -24.752 28.960 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -19.787 -26.084 29.087 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.493 -25.356 33.284 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.825 -25.925 34.448 1.00 14.13 C ATOM 1183 C ASP A 77 -16.842 -26.482 35.439 1.00 2.45 C ATOM 1184 O ASP A 77 -17.033 -25.932 36.525 1.00 35.31 O ATOM 1185 CB ASP A 77 -14.953 -24.870 35.131 1.00 0.41 C ATOM 1186 CG ASP A 77 -14.196 -25.426 36.320 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -13.996 -26.657 36.373 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -13.804 -24.630 37.199 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.016 -24.501 33.474 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.190 -26.743 34.107 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -14.243 -24.466 34.409 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -15.580 -24.041 35.459 1.00 0.41 H new