USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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 83 ASN : amide:sc= 0.847 K(o=1.8,f=-2.3) USER MOD Set 1.2: A 86 LYS NZ :NH3+ 170:sc= 0.987 (180deg=0) USER MOD Set 2.1: A 23 SER OG : rot 28:sc= 0.157 USER MOD Set 2.2: A 74 THR OG1 : rot -38:sc= 0.0423 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0444 X(o=-0.044,f=-0.17) USER MOD Single : A 18 THR OG1 : rot 81:sc= 0.282 USER MOD Single : A 20 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.6!) USER MOD Single : A 22 ASN : amide:sc= -0.308 K(o=-0.31,f=-2.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= -0.0196 (180deg=-0.16) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0458 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -109:sc= -0.268 (180deg=-2.97!) USER MOD Single : A 42 THR OG1 : rot -170:sc= 0.411 USER MOD Single : A 49 SER OG : rot 55:sc= 1.15 USER MOD Single : A 54 GLN : amide:sc= -0.335 K(o=-0.34,f=-1.3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0059 USER MOD Single : A 70 SER OG : rot -68:sc= 0.231 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 1.03 (180deg=0.93) USER MOD Single : A 77 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.5!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 94 MET CE :methyl -138:sc= -0.17 (180deg=-0.384) USER MOD Single : A 99 SER OG : rot 170:sc= -0.295 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00444 USER MOD ----------------------------------------------------------------- ATOM 201 N ILE A 13 0.040 -5.246 11.084 1.00 51.04 N ATOM 202 CA ILE A 13 0.707 -4.290 10.180 1.00 51.23 C ATOM 203 C ILE A 13 1.366 -3.192 11.035 1.00 54.11 C ATOM 204 O ILE A 13 0.670 -2.439 11.729 1.00 60.32 O ATOM 205 CB ILE A 13 -0.310 -3.638 9.164 1.00 34.54 C ATOM 206 CG1 ILE A 13 -1.133 -4.742 8.428 1.00 42.45 C ATOM 207 CG2 ILE A 13 0.430 -2.717 8.147 1.00 35.40 C ATOM 208 CD1 ILE A 13 -2.264 -4.214 7.571 1.00 63.33 C ATOM 0 HA ILE A 13 1.454 -4.825 9.594 1.00 51.23 H new ATOM 0 HB ILE A 13 -1.005 -3.016 9.728 1.00 34.54 H new ATOM 0 HG12 ILE A 13 -0.458 -5.322 7.799 1.00 42.45 H new ATOM 0 HG13 ILE A 13 -1.545 -5.426 9.170 1.00 42.45 H new ATOM 0 HG21 ILE A 13 -0.293 -2.280 7.458 1.00 35.40 H new ATOM 0 HG22 ILE A 13 0.945 -1.921 8.685 1.00 35.40 H new ATOM 0 HG23 ILE A 13 1.156 -3.305 7.586 1.00 35.40 H new ATOM 0 HD11 ILE A 13 -2.782 -5.048 7.097 1.00 63.33 H new ATOM 0 HD12 ILE A 13 -2.965 -3.659 8.195 1.00 63.33 H new ATOM 0 HD13 ILE A 13 -1.861 -3.554 6.803 1.00 63.33 H new ATOM 220 N GLN A 14 2.703 -3.138 11.019 1.00 72.44 N ATOM 221 CA GLN A 14 3.491 -2.132 11.763 1.00 22.31 C ATOM 222 C GLN A 14 4.039 -1.091 10.773 1.00 62.42 C ATOM 223 O GLN A 14 4.360 -1.426 9.639 1.00 74.24 O ATOM 224 CB GLN A 14 4.646 -2.831 12.546 1.00 21.33 C ATOM 225 CG GLN A 14 5.583 -3.702 11.679 1.00 71.50 C ATOM 226 CD GLN A 14 6.694 -4.406 12.466 1.00 10.05 C ATOM 227 OE1 GLN A 14 6.537 -4.731 13.643 1.00 22.24 O ATOM 228 NE2 GLN A 14 7.825 -4.648 11.826 1.00 43.01 N ATOM 0 H GLN A 14 3.278 -3.792 10.488 1.00 72.44 H new ATOM 0 HA GLN A 14 2.857 -1.624 12.489 1.00 22.31 H new ATOM 0 HB2 GLN A 14 5.242 -2.067 13.045 1.00 21.33 H new ATOM 0 HB3 GLN A 14 4.211 -3.456 13.326 1.00 21.33 H new ATOM 0 HG2 GLN A 14 4.987 -4.454 11.163 1.00 71.50 H new ATOM 0 HG3 GLN A 14 6.038 -3.074 10.913 1.00 71.50 H new ATOM 0 HE21 GLN A 14 7.929 -4.368 10.851 1.00 43.01 H new ATOM 0 HE22 GLN A 14 8.594 -5.115 12.308 1.00 43.01 H new ATOM 237 N THR A 15 4.139 0.173 11.207 1.00 0.24 N ATOM 238 CA THR A 15 4.614 1.272 10.345 1.00 32.22 C ATOM 239 C THR A 15 6.078 1.613 10.649 1.00 21.23 C ATOM 240 O THR A 15 6.504 1.611 11.809 1.00 2.12 O ATOM 241 CB THR A 15 3.736 2.553 10.516 1.00 45.21 C ATOM 242 OG1 THR A 15 3.641 2.914 11.908 1.00 61.55 O ATOM 243 CG2 THR A 15 2.324 2.356 9.939 1.00 54.02 C ATOM 0 H THR A 15 3.897 0.464 12.154 1.00 0.24 H new ATOM 0 HA THR A 15 4.532 0.928 9.314 1.00 32.22 H new ATOM 0 HB THR A 15 4.222 3.356 9.962 1.00 45.21 H new ATOM 0 HG1 THR A 15 3.090 3.719 12.000 1.00 61.55 H new ATOM 0 HG21 THR A 15 1.744 3.268 10.077 1.00 54.02 H new ATOM 0 HG22 THR A 15 2.394 2.128 8.875 1.00 54.02 H new ATOM 0 HG23 THR A 15 1.832 1.532 10.455 1.00 54.02 H new ATOM 251 N GLN A 16 6.825 1.898 9.582 1.00 63.04 N ATOM 252 CA GLN A 16 8.196 2.389 9.641 1.00 64.23 C ATOM 253 C GLN A 16 8.240 3.707 8.870 1.00 33.22 C ATOM 254 O GLN A 16 7.791 3.767 7.713 1.00 11.22 O ATOM 255 CB GLN A 16 9.164 1.356 9.007 1.00 63.21 C ATOM 256 CG GLN A 16 10.652 1.747 9.053 1.00 44.21 C ATOM 257 CD GLN A 16 11.188 1.904 10.474 1.00 75.35 C ATOM 258 OE1 GLN A 16 11.170 2.997 11.050 1.00 13.21 O ATOM 259 NE2 GLN A 16 11.653 0.814 11.058 1.00 54.24 N ATOM 0 H GLN A 16 6.481 1.790 8.628 1.00 63.04 H new ATOM 0 HA GLN A 16 8.508 2.541 10.674 1.00 64.23 H new ATOM 0 HB2 GLN A 16 9.039 0.401 9.518 1.00 63.21 H new ATOM 0 HB3 GLN A 16 8.876 1.201 7.967 1.00 63.21 H new ATOM 0 HG2 GLN A 16 11.237 0.988 8.533 1.00 44.21 H new ATOM 0 HG3 GLN A 16 10.792 2.683 8.513 1.00 44.21 H new ATOM 0 HE21 GLN A 16 11.654 -0.073 10.555 1.00 54.24 H new ATOM 0 HE22 GLN A 16 12.011 0.860 12.012 1.00 54.24 H new ATOM 268 N ASP A 17 8.768 4.754 9.511 1.00 62.12 N ATOM 269 CA ASP A 17 8.859 6.092 8.912 1.00 72.34 C ATOM 270 C ASP A 17 10.014 6.143 7.905 1.00 50.34 C ATOM 271 O ASP A 17 10.988 5.384 8.016 1.00 23.42 O ATOM 272 CB ASP A 17 9.028 7.170 10.005 1.00 32.22 C ATOM 273 CG ASP A 17 7.823 7.232 10.956 1.00 2.22 C ATOM 274 OD1 ASP A 17 6.842 7.938 10.646 1.00 43.44 O ATOM 275 OD2 ASP A 17 7.852 6.567 12.016 1.00 23.40 O ATOM 0 H ASP A 17 9.144 4.700 10.458 1.00 62.12 H new ATOM 0 HA ASP A 17 7.931 6.300 8.380 1.00 72.34 H new ATOM 0 HB2 ASP A 17 9.931 6.963 10.580 1.00 32.22 H new ATOM 0 HB3 ASP A 17 9.166 8.143 9.534 1.00 32.22 H new ATOM 280 N THR A 18 9.898 7.070 6.953 1.00 41.41 N ATOM 281 CA THR A 18 10.799 7.203 5.801 1.00 32.34 C ATOM 282 C THR A 18 11.281 8.670 5.731 1.00 35.53 C ATOM 283 O THR A 18 10.606 9.553 6.277 1.00 10.43 O ATOM 284 CB THR A 18 10.043 6.790 4.486 1.00 74.42 C ATOM 285 OG1 THR A 18 8.819 7.529 4.385 1.00 52.54 O ATOM 286 CG2 THR A 18 9.730 5.281 4.448 1.00 60.22 C ATOM 0 H THR A 18 9.155 7.769 6.960 1.00 41.41 H new ATOM 0 HA THR A 18 11.662 6.546 5.908 1.00 32.34 H new ATOM 0 HB THR A 18 10.697 7.018 3.644 1.00 74.42 H new ATOM 0 HG1 THR A 18 9.005 8.423 4.028 1.00 52.54 H new ATOM 0 HG21 THR A 18 9.207 5.041 3.522 1.00 60.22 H new ATOM 0 HG22 THR A 18 10.660 4.715 4.497 1.00 60.22 H new ATOM 0 HG23 THR A 18 9.101 5.018 5.298 1.00 60.22 H new ATOM 294 N PRO A 19 12.452 8.969 5.072 1.00 63.44 N ATOM 295 CA PRO A 19 12.982 10.362 4.967 1.00 23.34 C ATOM 296 C PRO A 19 12.019 11.309 4.220 1.00 74.50 C ATOM 297 O PRO A 19 12.078 12.528 4.391 1.00 74.41 O ATOM 298 CB PRO A 19 14.326 10.184 4.210 1.00 74.11 C ATOM 299 CG PRO A 19 14.196 8.872 3.497 1.00 62.53 C ATOM 300 CD PRO A 19 13.358 7.998 4.402 1.00 62.45 C ATOM 0 HA PRO A 19 13.105 10.831 5.943 1.00 23.34 H new ATOM 0 HB2 PRO A 19 14.495 11.000 3.508 1.00 74.11 H new ATOM 0 HB3 PRO A 19 15.170 10.177 4.900 1.00 74.11 H new ATOM 0 HG2 PRO A 19 13.720 9.000 2.525 1.00 62.53 H new ATOM 0 HG3 PRO A 19 15.174 8.425 3.317 1.00 62.53 H new ATOM 0 HD2 PRO A 19 12.800 7.251 3.837 1.00 62.45 H new ATOM 0 HD3 PRO A 19 13.973 7.458 5.122 1.00 62.45 H new ATOM 308 N ASN A 20 11.148 10.725 3.385 1.00 55.15 N ATOM 309 CA ASN A 20 10.099 11.456 2.661 1.00 30.20 C ATOM 310 C ASN A 20 8.770 11.365 3.441 1.00 14.35 C ATOM 311 O ASN A 20 8.181 10.284 3.493 1.00 42.23 O ATOM 312 CB ASN A 20 9.930 10.876 1.232 1.00 4.14 C ATOM 313 CG ASN A 20 11.183 11.034 0.356 1.00 24.42 C ATOM 314 OD1 ASN A 20 12.316 11.052 0.843 1.00 2.42 O ATOM 315 ND2 ASN A 20 10.991 11.149 -0.941 1.00 42.05 N ATOM 0 H ASN A 20 11.152 9.723 3.192 1.00 55.15 H new ATOM 0 HA ASN A 20 10.387 12.504 2.574 1.00 30.20 H new ATOM 0 HB2 ASN A 20 9.678 9.818 1.305 1.00 4.14 H new ATOM 0 HB3 ASN A 20 9.090 11.371 0.744 1.00 4.14 H new ATOM 0 HD21 ASN A 20 11.789 11.256 -1.567 1.00 42.05 H new ATOM 0 HD22 ASN A 20 10.044 11.131 -1.320 1.00 42.05 H new ATOM 322 N PRO A 21 8.286 12.492 4.080 1.00 11.33 N ATOM 323 CA PRO A 21 6.995 12.511 4.835 1.00 15.12 C ATOM 324 C PRO A 21 5.741 12.328 3.939 1.00 71.33 C ATOM 325 O PRO A 21 4.646 12.030 4.444 1.00 24.52 O ATOM 326 CB PRO A 21 7.013 13.898 5.531 1.00 15.02 C ATOM 327 CG PRO A 21 7.895 14.744 4.668 1.00 22.43 C ATOM 328 CD PRO A 21 8.971 13.813 4.155 1.00 34.23 C ATOM 0 HA PRO A 21 6.922 11.674 5.530 1.00 15.12 H new ATOM 0 HB2 PRO A 21 6.010 14.318 5.604 1.00 15.02 H new ATOM 0 HB3 PRO A 21 7.403 13.827 6.546 1.00 15.02 H new ATOM 0 HG2 PRO A 21 7.333 15.185 3.845 1.00 22.43 H new ATOM 0 HG3 PRO A 21 8.327 15.568 5.236 1.00 22.43 H new ATOM 0 HD2 PRO A 21 9.342 14.128 3.180 1.00 34.23 H new ATOM 0 HD3 PRO A 21 9.828 13.782 4.827 1.00 34.23 H new ATOM 336 N ASN A 22 5.910 12.514 2.609 1.00 4.24 N ATOM 337 CA ASN A 22 4.859 12.208 1.602 1.00 13.43 C ATOM 338 C ASN A 22 4.544 10.706 1.557 1.00 61.35 C ATOM 339 O ASN A 22 3.452 10.311 1.159 1.00 22.15 O ATOM 340 CB ASN A 22 5.276 12.705 0.175 1.00 31.12 C ATOM 341 CG ASN A 22 4.805 14.122 -0.140 1.00 63.43 C ATOM 342 OD1 ASN A 22 3.702 14.514 0.234 1.00 4.33 O ATOM 343 ND2 ASN A 22 5.637 14.902 -0.821 1.00 62.44 N ATOM 0 H ASN A 22 6.772 12.878 2.203 1.00 4.24 H new ATOM 0 HA ASN A 22 3.960 12.742 1.910 1.00 13.43 H new ATOM 0 HB2 ASN A 22 6.362 12.664 0.088 1.00 31.12 H new ATOM 0 HB3 ASN A 22 4.871 12.022 -0.571 1.00 31.12 H new ATOM 0 HD21 ASN A 22 5.367 15.859 -1.049 1.00 62.44 H new ATOM 0 HD22 ASN A 22 6.545 14.544 -1.116 1.00 62.44 H new ATOM 350 N SER A 23 5.500 9.879 1.970 1.00 33.15 N ATOM 351 CA SER A 23 5.372 8.424 1.892 1.00 30.21 C ATOM 352 C SER A 23 5.582 7.802 3.285 1.00 22.52 C ATOM 353 O SER A 23 6.203 8.412 4.160 1.00 31.25 O ATOM 354 CB SER A 23 6.369 7.884 0.847 1.00 4.02 C ATOM 355 OG SER A 23 6.147 6.512 0.576 1.00 33.35 O ATOM 0 H SER A 23 6.384 10.196 2.368 1.00 33.15 H new ATOM 0 HA SER A 23 4.369 8.147 1.569 1.00 30.21 H new ATOM 0 HB2 SER A 23 6.277 8.457 -0.075 1.00 4.02 H new ATOM 0 HB3 SER A 23 7.388 8.024 1.209 1.00 4.02 H new ATOM 0 HG SER A 23 5.203 6.297 0.727 1.00 33.35 H new ATOM 361 N LEU A 24 4.970 6.630 3.496 1.00 64.41 N ATOM 362 CA LEU A 24 5.114 5.843 4.732 1.00 73.32 C ATOM 363 C LEU A 24 5.166 4.356 4.369 1.00 5.23 C ATOM 364 O LEU A 24 4.418 3.902 3.498 1.00 11.55 O ATOM 365 CB LEU A 24 3.928 6.131 5.688 1.00 12.12 C ATOM 366 CG LEU A 24 3.980 5.466 7.103 1.00 74.53 C ATOM 367 CD1 LEU A 24 5.167 5.989 7.940 1.00 64.43 C ATOM 368 CD2 LEU A 24 2.646 5.666 7.847 1.00 44.31 C ATOM 0 H LEU A 24 4.355 6.195 2.808 1.00 64.41 H new ATOM 0 HA LEU A 24 6.035 6.122 5.243 1.00 73.32 H new ATOM 0 HB2 LEU A 24 3.856 7.210 5.823 1.00 12.12 H new ATOM 0 HB3 LEU A 24 3.010 5.809 5.196 1.00 12.12 H new ATOM 0 HG LEU A 24 4.136 4.397 6.959 1.00 74.53 H new ATOM 0 HD11 LEU A 24 5.167 5.502 8.915 1.00 64.43 H new ATOM 0 HD12 LEU A 24 6.101 5.768 7.424 1.00 64.43 H new ATOM 0 HD13 LEU A 24 5.072 7.067 8.072 1.00 64.43 H new ATOM 0 HD21 LEU A 24 2.703 5.196 8.829 1.00 44.31 H new ATOM 0 HD22 LEU A 24 2.452 6.732 7.966 1.00 44.31 H new ATOM 0 HD23 LEU A 24 1.838 5.212 7.274 1.00 44.31 H new ATOM 380 N LYS A 25 6.039 3.605 5.048 1.00 35.31 N ATOM 381 CA LYS A 25 6.279 2.187 4.760 1.00 35.43 C ATOM 382 C LYS A 25 5.482 1.321 5.754 1.00 33.24 C ATOM 383 O LYS A 25 5.614 1.487 6.964 1.00 21.33 O ATOM 384 CB LYS A 25 7.806 1.924 4.858 1.00 0.24 C ATOM 385 CG LYS A 25 8.265 0.522 4.404 1.00 24.21 C ATOM 386 CD LYS A 25 9.810 0.397 4.406 1.00 31.04 C ATOM 387 CE LYS A 25 10.301 -0.930 3.818 1.00 63.52 C ATOM 388 NZ LYS A 25 11.779 -1.076 3.907 1.00 62.33 N ATOM 0 H LYS A 25 6.603 3.966 5.818 1.00 35.31 H new ATOM 0 HA LYS A 25 5.943 1.926 3.756 1.00 35.43 H new ATOM 0 HB2 LYS A 25 8.326 2.670 4.257 1.00 0.24 H new ATOM 0 HB3 LYS A 25 8.118 2.073 5.892 1.00 0.24 H new ATOM 0 HG2 LYS A 25 7.838 -0.233 5.065 1.00 24.21 H new ATOM 0 HG3 LYS A 25 7.885 0.321 3.402 1.00 24.21 H new ATOM 0 HD2 LYS A 25 10.237 1.222 3.835 1.00 31.04 H new ATOM 0 HD3 LYS A 25 10.176 0.493 5.428 1.00 31.04 H new ATOM 0 HE2 LYS A 25 9.824 -1.757 4.345 1.00 63.52 H new ATOM 0 HE3 LYS A 25 9.994 -0.998 2.774 1.00 63.52 H new ATOM 0 HZ1 LYS A 25 12.063 -1.989 3.497 1.00 62.33 H new ATOM 0 HZ2 LYS A 25 12.236 -0.303 3.382 1.00 62.33 H new ATOM 0 HZ3 LYS A 25 12.072 -1.038 4.904 1.00 62.33 H new ATOM 402 N PHE A 26 4.635 0.420 5.234 1.00 41.50 N ATOM 403 CA PHE A 26 3.784 -0.474 6.051 1.00 41.11 C ATOM 404 C PHE A 26 4.319 -1.905 5.942 1.00 45.32 C ATOM 405 O PHE A 26 4.278 -2.487 4.867 1.00 52.41 O ATOM 406 CB PHE A 26 2.313 -0.421 5.543 1.00 13.01 C ATOM 407 CG PHE A 26 1.655 0.962 5.636 1.00 22.24 C ATOM 408 CD1 PHE A 26 1.860 1.931 4.648 1.00 33.15 C ATOM 409 CD2 PHE A 26 0.835 1.295 6.718 1.00 13.41 C ATOM 410 CE1 PHE A 26 1.267 3.180 4.742 1.00 21.41 C ATOM 411 CE2 PHE A 26 0.245 2.545 6.808 1.00 62.14 C ATOM 412 CZ PHE A 26 0.464 3.485 5.821 1.00 33.13 C ATOM 0 H PHE A 26 4.517 0.286 4.230 1.00 41.50 H new ATOM 0 HA PHE A 26 3.806 -0.149 7.091 1.00 41.11 H new ATOM 0 HB2 PHE A 26 2.289 -0.751 4.505 1.00 13.01 H new ATOM 0 HB3 PHE A 26 1.718 -1.131 6.117 1.00 13.01 H new ATOM 0 HD1 PHE A 26 2.489 1.703 3.800 1.00 33.15 H new ATOM 0 HD2 PHE A 26 0.659 0.567 7.496 1.00 13.41 H new ATOM 0 HE1 PHE A 26 1.434 3.916 3.969 1.00 21.41 H new ATOM 0 HE2 PHE A 26 -0.387 2.784 7.651 1.00 62.14 H new ATOM 0 HZ PHE A 26 0.006 4.460 5.894 1.00 33.13 H new ATOM 422 N ILE A 27 4.849 -2.457 7.041 1.00 32.23 N ATOM 423 CA ILE A 27 5.325 -3.850 7.096 1.00 4.52 C ATOM 424 C ILE A 27 4.144 -4.742 7.569 1.00 75.31 C ATOM 425 O ILE A 27 3.785 -4.704 8.749 1.00 20.43 O ATOM 426 CB ILE A 27 6.573 -4.040 8.067 1.00 24.14 C ATOM 427 CG1 ILE A 27 7.831 -3.216 7.602 1.00 21.33 C ATOM 428 CG2 ILE A 27 6.945 -5.544 8.225 1.00 64.11 C ATOM 429 CD1 ILE A 27 7.729 -1.706 7.771 1.00 71.33 C ATOM 0 H ILE A 27 4.961 -1.952 7.920 1.00 32.23 H new ATOM 0 HA ILE A 27 5.665 -4.136 6.101 1.00 4.52 H new ATOM 0 HB ILE A 27 6.266 -3.650 9.037 1.00 24.14 H new ATOM 0 HG12 ILE A 27 8.699 -3.568 8.159 1.00 21.33 H new ATOM 0 HG13 ILE A 27 8.017 -3.434 6.550 1.00 21.33 H new ATOM 0 HG21 ILE A 27 7.800 -5.639 8.894 1.00 64.11 H new ATOM 0 HG22 ILE A 27 6.097 -6.087 8.642 1.00 64.11 H new ATOM 0 HG23 ILE A 27 7.199 -5.960 7.250 1.00 64.11 H new ATOM 0 HD11 ILE A 27 8.649 -1.238 7.420 1.00 71.33 H new ATOM 0 HD12 ILE A 27 6.886 -1.331 7.190 1.00 71.33 H new ATOM 0 HD13 ILE A 27 7.579 -1.467 8.824 1.00 71.33 H new ATOM 441 N PRO A 28 3.510 -5.542 6.650 1.00 31.12 N ATOM 442 CA PRO A 28 2.378 -6.444 7.000 1.00 64.42 C ATOM 443 C PRO A 28 2.821 -7.755 7.684 1.00 43.25 C ATOM 444 O PRO A 28 1.980 -8.598 8.024 1.00 14.42 O ATOM 445 CB PRO A 28 1.750 -6.717 5.617 1.00 52.31 C ATOM 446 CG PRO A 28 2.902 -6.699 4.671 1.00 74.22 C ATOM 447 CD PRO A 28 3.824 -5.622 5.194 1.00 44.41 C ATOM 0 HA PRO A 28 1.700 -5.999 7.728 1.00 64.42 H new ATOM 0 HB2 PRO A 28 1.236 -7.678 5.598 1.00 52.31 H new ATOM 0 HB3 PRO A 28 1.013 -5.956 5.359 1.00 52.31 H new ATOM 0 HG2 PRO A 28 3.403 -7.667 4.641 1.00 74.22 H new ATOM 0 HG3 PRO A 28 2.574 -6.478 3.655 1.00 74.22 H new ATOM 0 HD2 PRO A 28 4.870 -5.878 5.026 1.00 44.41 H new ATOM 0 HD3 PRO A 28 3.645 -4.669 4.696 1.00 44.41 H new ATOM 455 N GLY A 29 4.149 -7.922 7.851 1.00 53.35 N ATOM 456 CA GLY A 29 4.722 -9.097 8.508 1.00 15.04 C ATOM 457 C GLY A 29 4.729 -10.353 7.634 1.00 12.02 C ATOM 458 O GLY A 29 4.984 -11.455 8.131 1.00 13.22 O ATOM 0 H GLY A 29 4.844 -7.246 7.534 1.00 53.35 H new ATOM 0 HA2 GLY A 29 5.745 -8.870 8.810 1.00 15.04 H new ATOM 0 HA3 GLY A 29 4.159 -9.303 9.419 1.00 15.04 H new ATOM 462 N LYS A 30 4.443 -10.186 6.331 1.00 23.30 N ATOM 463 CA LYS A 30 4.402 -11.287 5.348 1.00 51.41 C ATOM 464 C LYS A 30 5.215 -10.892 4.110 1.00 12.52 C ATOM 465 O LYS A 30 5.163 -9.720 3.710 1.00 33.45 O ATOM 466 CB LYS A 30 2.933 -11.597 4.934 1.00 35.12 C ATOM 467 CG LYS A 30 2.056 -12.162 6.072 1.00 75.52 C ATOM 468 CD LYS A 30 0.627 -12.513 5.601 1.00 62.43 C ATOM 469 CE LYS A 30 -0.231 -13.125 6.713 1.00 44.21 C ATOM 470 NZ LYS A 30 0.359 -14.380 7.245 1.00 11.35 N ATOM 0 H LYS A 30 4.231 -9.275 5.925 1.00 23.30 H new ATOM 0 HA LYS A 30 4.830 -12.181 5.801 1.00 51.41 H new ATOM 0 HB2 LYS A 30 2.474 -10.683 4.557 1.00 35.12 H new ATOM 0 HB3 LYS A 30 2.943 -12.311 4.111 1.00 35.12 H new ATOM 0 HG2 LYS A 30 2.529 -13.054 6.482 1.00 75.52 H new ATOM 0 HG3 LYS A 30 2.000 -11.432 6.879 1.00 75.52 H new ATOM 0 HD2 LYS A 30 0.141 -11.612 5.228 1.00 62.43 H new ATOM 0 HD3 LYS A 30 0.686 -13.212 4.767 1.00 62.43 H new ATOM 0 HE2 LYS A 30 -0.342 -12.405 7.523 1.00 44.21 H new ATOM 0 HE3 LYS A 30 -1.231 -13.329 6.329 1.00 44.21 H new ATOM 0 HZ1 LYS A 30 -0.334 -14.858 7.856 1.00 11.35 H new ATOM 0 HZ2 LYS A 30 0.614 -15.006 6.455 1.00 11.35 H new ATOM 0 HZ3 LYS A 30 1.211 -14.156 7.798 1.00 11.35 H new ATOM 484 N PRO A 31 5.982 -11.848 3.473 1.00 35.21 N ATOM 485 CA PRO A 31 6.706 -11.584 2.212 1.00 0.41 C ATOM 486 C PRO A 31 5.722 -11.412 1.033 1.00 34.00 C ATOM 487 O PRO A 31 5.486 -12.346 0.255 1.00 22.13 O ATOM 488 CB PRO A 31 7.644 -12.824 2.039 1.00 13.15 C ATOM 489 CG PRO A 31 7.569 -13.568 3.347 1.00 4.15 C ATOM 490 CD PRO A 31 6.209 -13.244 3.928 1.00 14.51 C ATOM 0 HA PRO A 31 7.275 -10.655 2.234 1.00 0.41 H new ATOM 0 HB2 PRO A 31 7.316 -13.452 1.211 1.00 13.15 H new ATOM 0 HB3 PRO A 31 8.666 -12.516 1.820 1.00 13.15 H new ATOM 0 HG2 PRO A 31 7.683 -14.641 3.194 1.00 4.15 H new ATOM 0 HG3 PRO A 31 8.367 -13.256 4.021 1.00 4.15 H new ATOM 0 HD2 PRO A 31 5.439 -13.921 3.557 1.00 14.51 H new ATOM 0 HD3 PRO A 31 6.205 -13.321 5.015 1.00 14.51 H new ATOM 498 N VAL A 32 5.117 -10.209 0.954 1.00 61.41 N ATOM 499 CA VAL A 32 4.122 -9.866 -0.081 1.00 64.13 C ATOM 500 C VAL A 32 4.745 -9.910 -1.488 1.00 12.45 C ATOM 501 O VAL A 32 4.057 -10.211 -2.463 1.00 32.03 O ATOM 502 CB VAL A 32 3.452 -8.464 0.191 1.00 12.52 C ATOM 503 CG1 VAL A 32 2.629 -8.490 1.501 1.00 1.23 C ATOM 504 CG2 VAL A 32 4.498 -7.323 0.216 1.00 74.42 C ATOM 0 H VAL A 32 5.305 -9.448 1.607 1.00 61.41 H new ATOM 0 HA VAL A 32 3.336 -10.620 -0.032 1.00 64.13 H new ATOM 0 HB VAL A 32 2.771 -8.262 -0.636 1.00 12.52 H new ATOM 0 HG11 VAL A 32 2.177 -7.512 1.666 1.00 1.23 H new ATOM 0 HG12 VAL A 32 1.845 -9.243 1.423 1.00 1.23 H new ATOM 0 HG13 VAL A 32 3.284 -8.733 2.338 1.00 1.23 H new ATOM 0 HG21 VAL A 32 3.997 -6.374 0.406 1.00 74.42 H new ATOM 0 HG22 VAL A 32 5.225 -7.514 1.005 1.00 74.42 H new ATOM 0 HG23 VAL A 32 5.009 -7.277 -0.745 1.00 74.42 H new ATOM 514 N LEU A 33 6.062 -9.622 -1.565 1.00 32.12 N ATOM 515 CA LEU A 33 6.852 -9.747 -2.799 1.00 61.15 C ATOM 516 C LEU A 33 8.285 -10.215 -2.485 1.00 13.24 C ATOM 517 O LEU A 33 9.224 -9.418 -2.469 1.00 75.21 O ATOM 518 CB LEU A 33 6.874 -8.414 -3.606 1.00 21.14 C ATOM 519 CG LEU A 33 5.642 -8.098 -4.501 1.00 25.02 C ATOM 520 CD1 LEU A 33 5.883 -6.819 -5.317 1.00 31.12 C ATOM 521 CD2 LEU A 33 5.308 -9.285 -5.430 1.00 34.03 C ATOM 0 H LEU A 33 6.606 -9.295 -0.766 1.00 32.12 H new ATOM 0 HA LEU A 33 6.369 -10.501 -3.421 1.00 61.15 H new ATOM 0 HB2 LEU A 33 6.995 -7.594 -2.898 1.00 21.14 H new ATOM 0 HB3 LEU A 33 7.759 -8.420 -4.242 1.00 21.14 H new ATOM 0 HG LEU A 33 4.784 -7.935 -3.848 1.00 25.02 H new ATOM 0 HD11 LEU A 33 5.011 -6.613 -5.937 1.00 31.12 H new ATOM 0 HD12 LEU A 33 6.052 -5.982 -4.640 1.00 31.12 H new ATOM 0 HD13 LEU A 33 6.757 -6.953 -5.954 1.00 31.12 H new ATOM 0 HD21 LEU A 33 4.442 -9.035 -6.043 1.00 34.03 H new ATOM 0 HD22 LEU A 33 6.162 -9.494 -6.075 1.00 34.03 H new ATOM 0 HD23 LEU A 33 5.084 -10.166 -4.828 1.00 34.03 H new ATOM 533 N GLU A 34 8.437 -11.516 -2.205 1.00 11.43 N ATOM 534 CA GLU A 34 9.765 -12.152 -2.100 1.00 40.05 C ATOM 535 C GLU A 34 10.351 -12.412 -3.501 1.00 74.45 C ATOM 536 O GLU A 34 11.562 -12.606 -3.653 1.00 40.03 O ATOM 537 CB GLU A 34 9.688 -13.469 -1.286 1.00 62.55 C ATOM 538 CG GLU A 34 8.707 -14.526 -1.830 1.00 44.40 C ATOM 539 CD GLU A 34 8.741 -15.841 -1.037 1.00 31.10 C ATOM 540 OE1 GLU A 34 8.160 -15.893 0.072 1.00 51.13 O ATOM 541 OE2 GLU A 34 9.349 -16.828 -1.512 1.00 61.52 O ATOM 0 H GLU A 34 7.657 -12.154 -2.046 1.00 11.43 H new ATOM 0 HA GLU A 34 10.428 -11.468 -1.570 1.00 40.05 H new ATOM 0 HB2 GLU A 34 10.684 -13.910 -1.245 1.00 62.55 H new ATOM 0 HB3 GLU A 34 9.404 -13.227 -0.262 1.00 62.55 H new ATOM 0 HG2 GLU A 34 7.695 -14.121 -1.807 1.00 44.40 H new ATOM 0 HG3 GLU A 34 8.945 -14.731 -2.874 1.00 44.40 H new ATOM 548 N THR A 35 9.466 -12.421 -4.510 1.00 43.50 N ATOM 549 CA THR A 35 9.829 -12.633 -5.913 1.00 23.41 C ATOM 550 C THR A 35 10.590 -11.411 -6.490 1.00 71.24 C ATOM 551 O THR A 35 11.762 -11.522 -6.866 1.00 2.22 O ATOM 552 CB THR A 35 8.546 -12.934 -6.759 1.00 23.25 C ATOM 553 OG1 THR A 35 7.569 -11.891 -6.556 1.00 45.31 O ATOM 554 CG2 THR A 35 7.919 -14.293 -6.389 1.00 53.23 C ATOM 0 H THR A 35 8.466 -12.279 -4.369 1.00 43.50 H new ATOM 0 HA THR A 35 10.498 -13.492 -5.966 1.00 23.41 H new ATOM 0 HB THR A 35 8.846 -12.972 -7.806 1.00 23.25 H new ATOM 0 HG1 THR A 35 6.769 -12.084 -7.089 1.00 45.31 H new ATOM 0 HG21 THR A 35 7.032 -14.462 -6.999 1.00 53.23 H new ATOM 0 HG22 THR A 35 8.642 -15.089 -6.571 1.00 53.23 H new ATOM 0 HG23 THR A 35 7.640 -14.290 -5.335 1.00 53.23 H new ATOM 562 N ARG A 36 9.932 -10.241 -6.500 1.00 70.00 N ATOM 563 CA ARG A 36 10.458 -9.023 -7.156 1.00 54.13 C ATOM 564 C ARG A 36 9.969 -7.756 -6.424 1.00 43.23 C ATOM 565 O ARG A 36 9.393 -7.840 -5.346 1.00 25.52 O ATOM 566 CB ARG A 36 10.011 -8.998 -8.650 1.00 61.11 C ATOM 567 CG ARG A 36 8.473 -8.986 -8.874 1.00 11.41 C ATOM 568 CD ARG A 36 8.080 -8.792 -10.357 1.00 23.04 C ATOM 569 NE ARG A 36 8.687 -7.566 -10.928 1.00 63.10 N ATOM 570 CZ ARG A 36 8.087 -6.686 -11.754 1.00 24.32 C ATOM 571 NH1 ARG A 36 6.835 -6.850 -12.161 1.00 23.44 N ATOM 572 NH2 ARG A 36 8.754 -5.615 -12.148 1.00 2.31 N ATOM 0 H ARG A 36 9.023 -10.108 -6.057 1.00 70.00 H new ATOM 0 HA ARG A 36 11.547 -9.039 -7.110 1.00 54.13 H new ATOM 0 HB2 ARG A 36 10.440 -8.117 -9.127 1.00 61.11 H new ATOM 0 HB3 ARG A 36 10.430 -9.869 -9.154 1.00 61.11 H new ATOM 0 HG2 ARG A 36 8.051 -9.924 -8.512 1.00 11.41 H new ATOM 0 HG3 ARG A 36 8.031 -8.187 -8.279 1.00 11.41 H new ATOM 0 HD2 ARG A 36 8.399 -9.659 -10.935 1.00 23.04 H new ATOM 0 HD3 ARG A 36 6.995 -8.734 -10.442 1.00 23.04 H new ATOM 0 HE ARG A 36 9.654 -7.369 -10.670 1.00 63.10 H new ATOM 0 HH11 ARG A 36 6.299 -7.660 -11.848 1.00 23.44 H new ATOM 0 HH12 ARG A 36 6.408 -6.166 -12.786 1.00 23.44 H new ATOM 0 HH21 ARG A 36 9.710 -5.463 -11.827 1.00 2.31 H new ATOM 0 HH22 ARG A 36 8.313 -4.941 -12.773 1.00 2.31 H new ATOM 586 N THR A 37 10.259 -6.582 -7.005 1.00 40.45 N ATOM 587 CA THR A 37 9.641 -5.299 -6.614 1.00 13.25 C ATOM 588 C THR A 37 8.649 -4.871 -7.712 1.00 3.44 C ATOM 589 O THR A 37 8.894 -5.128 -8.896 1.00 2.11 O ATOM 590 CB THR A 37 10.730 -4.196 -6.406 1.00 53.43 C ATOM 591 OG1 THR A 37 11.618 -4.166 -7.536 1.00 52.41 O ATOM 592 CG2 THR A 37 11.544 -4.426 -5.123 1.00 54.44 C ATOM 0 H THR A 37 10.933 -6.492 -7.765 1.00 40.45 H new ATOM 0 HA THR A 37 9.114 -5.427 -5.669 1.00 13.25 H new ATOM 0 HB THR A 37 10.213 -3.241 -6.310 1.00 53.43 H new ATOM 0 HG1 THR A 37 12.297 -3.472 -7.400 1.00 52.41 H new ATOM 0 HG21 THR A 37 12.289 -3.637 -5.018 1.00 54.44 H new ATOM 0 HG22 THR A 37 10.877 -4.412 -4.261 1.00 54.44 H new ATOM 0 HG23 THR A 37 12.045 -5.392 -5.178 1.00 54.44 H new ATOM 600 N MET A 38 7.526 -4.236 -7.326 1.00 74.43 N ATOM 601 CA MET A 38 6.462 -3.813 -8.265 1.00 12.13 C ATOM 602 C MET A 38 5.918 -2.448 -7.822 1.00 74.33 C ATOM 603 O MET A 38 5.196 -2.344 -6.823 1.00 51.20 O ATOM 604 CB MET A 38 5.318 -4.871 -8.328 1.00 10.24 C ATOM 605 CG MET A 38 5.728 -6.229 -8.915 1.00 63.11 C ATOM 606 SD MET A 38 4.495 -7.523 -8.669 1.00 5.31 S ATOM 607 CE MET A 38 3.109 -6.868 -9.579 1.00 13.23 C ATOM 0 H MET A 38 7.328 -4.000 -6.354 1.00 74.43 H new ATOM 0 HA MET A 38 6.882 -3.728 -9.267 1.00 12.13 H new ATOM 0 HB2 MET A 38 4.932 -5.028 -7.321 1.00 10.24 H new ATOM 0 HB3 MET A 38 4.500 -4.466 -8.924 1.00 10.24 H new ATOM 0 HG2 MET A 38 5.913 -6.113 -9.983 1.00 63.11 H new ATOM 0 HG3 MET A 38 6.668 -6.543 -8.461 1.00 63.11 H new ATOM 0 HE1 MET A 38 2.332 -6.553 -8.882 1.00 13.23 H new ATOM 0 HE2 MET A 38 3.434 -6.012 -10.171 1.00 13.23 H new ATOM 0 HE3 MET A 38 2.712 -7.638 -10.241 1.00 13.23 H new ATOM 617 N ASP A 39 6.314 -1.411 -8.563 1.00 1.04 N ATOM 618 CA ASP A 39 5.904 -0.020 -8.314 1.00 43.33 C ATOM 619 C ASP A 39 4.686 0.330 -9.174 1.00 71.32 C ATOM 620 O ASP A 39 4.590 -0.082 -10.340 1.00 14.13 O ATOM 621 CB ASP A 39 7.082 0.952 -8.597 1.00 43.43 C ATOM 622 CG ASP A 39 7.565 0.940 -10.061 1.00 23.33 C ATOM 623 OD1 ASP A 39 8.246 -0.034 -10.462 1.00 72.34 O ATOM 624 OD2 ASP A 39 7.262 1.891 -10.817 1.00 44.43 O ATOM 0 H ASP A 39 6.937 -1.511 -9.365 1.00 1.04 H new ATOM 0 HA ASP A 39 5.626 0.085 -7.265 1.00 43.33 H new ATOM 0 HB2 ASP A 39 6.776 1.965 -8.334 1.00 43.43 H new ATOM 0 HB3 ASP A 39 7.918 0.693 -7.947 1.00 43.43 H new ATOM 629 N PHE A 40 3.741 1.063 -8.573 1.00 13.31 N ATOM 630 CA PHE A 40 2.486 1.481 -9.220 1.00 53.43 C ATOM 631 C PHE A 40 2.335 3.005 -9.094 1.00 70.40 C ATOM 632 O PHE A 40 1.835 3.491 -8.072 1.00 41.14 O ATOM 633 CB PHE A 40 1.278 0.740 -8.574 1.00 31.24 C ATOM 634 CG PHE A 40 1.498 -0.768 -8.460 1.00 45.43 C ATOM 635 CD1 PHE A 40 1.561 -1.564 -9.601 1.00 50.25 C ATOM 636 CD2 PHE A 40 1.670 -1.383 -7.219 1.00 70.05 C ATOM 637 CE1 PHE A 40 1.785 -2.920 -9.506 1.00 5.10 C ATOM 638 CE2 PHE A 40 1.894 -2.742 -7.135 1.00 12.12 C ATOM 639 CZ PHE A 40 1.947 -3.507 -8.275 1.00 64.41 C ATOM 0 H PHE A 40 3.825 1.388 -7.610 1.00 13.31 H new ATOM 0 HA PHE A 40 2.510 1.219 -10.278 1.00 53.43 H new ATOM 0 HB2 PHE A 40 1.094 1.151 -7.581 1.00 31.24 H new ATOM 0 HB3 PHE A 40 0.383 0.928 -9.168 1.00 31.24 H new ATOM 0 HD1 PHE A 40 1.433 -1.112 -10.573 1.00 50.25 H new ATOM 0 HD2 PHE A 40 1.627 -0.790 -6.317 1.00 70.05 H new ATOM 0 HE1 PHE A 40 1.833 -3.522 -10.401 1.00 5.10 H new ATOM 0 HE2 PHE A 40 2.028 -3.206 -6.169 1.00 12.12 H new ATOM 0 HZ PHE A 40 2.116 -4.571 -8.203 1.00 64.41 H new ATOM 649 N PRO A 41 2.826 3.798 -10.108 1.00 21.04 N ATOM 650 CA PRO A 41 2.683 5.276 -10.094 1.00 55.41 C ATOM 651 C PRO A 41 1.208 5.726 -10.198 1.00 71.21 C ATOM 652 O PRO A 41 0.802 6.704 -9.569 1.00 74.00 O ATOM 653 CB PRO A 41 3.518 5.733 -11.317 1.00 62.15 C ATOM 654 CG PRO A 41 3.574 4.536 -12.224 1.00 2.31 C ATOM 655 CD PRO A 41 3.586 3.328 -11.310 1.00 34.53 C ATOM 0 HA PRO A 41 3.028 5.718 -9.159 1.00 55.41 H new ATOM 0 HB2 PRO A 41 3.053 6.584 -11.816 1.00 62.15 H new ATOM 0 HB3 PRO A 41 4.518 6.047 -11.016 1.00 62.15 H new ATOM 0 HG2 PRO A 41 2.714 4.512 -12.893 1.00 2.31 H new ATOM 0 HG3 PRO A 41 4.465 4.561 -12.851 1.00 2.31 H new ATOM 0 HD2 PRO A 41 3.109 2.466 -11.776 1.00 34.53 H new ATOM 0 HD3 PRO A 41 4.602 3.029 -11.052 1.00 34.53 H new ATOM 663 N THR A 42 0.409 4.989 -10.991 1.00 12.32 N ATOM 664 CA THR A 42 -1.004 5.314 -11.263 1.00 32.40 C ATOM 665 C THR A 42 -1.924 4.159 -10.795 1.00 34.43 C ATOM 666 O THR A 42 -1.454 3.017 -10.646 1.00 53.13 O ATOM 667 CB THR A 42 -1.223 5.564 -12.796 1.00 23.22 C ATOM 668 OG1 THR A 42 -0.850 4.392 -13.543 1.00 70.22 O ATOM 669 CG2 THR A 42 -0.421 6.773 -13.307 1.00 4.53 C ATOM 0 H THR A 42 0.728 4.144 -11.465 1.00 12.32 H new ATOM 0 HA THR A 42 -1.256 6.220 -10.712 1.00 32.40 H new ATOM 0 HB THR A 42 -2.281 5.780 -12.941 1.00 23.22 H new ATOM 0 HG1 THR A 42 -0.838 4.604 -14.500 1.00 70.22 H new ATOM 0 HG21 THR A 42 -0.604 6.907 -14.373 1.00 4.53 H new ATOM 0 HG22 THR A 42 -0.732 7.669 -12.770 1.00 4.53 H new ATOM 0 HG23 THR A 42 0.642 6.601 -13.141 1.00 4.53 H new ATOM 677 N PRO A 43 -3.255 4.440 -10.545 1.00 11.01 N ATOM 678 CA PRO A 43 -4.277 3.378 -10.358 1.00 32.34 C ATOM 679 C PRO A 43 -4.358 2.424 -11.575 1.00 53.12 C ATOM 680 O PRO A 43 -4.672 1.235 -11.427 1.00 61.25 O ATOM 681 CB PRO A 43 -5.601 4.164 -10.167 1.00 22.52 C ATOM 682 CG PRO A 43 -5.183 5.530 -9.710 1.00 4.42 C ATOM 683 CD PRO A 43 -3.850 5.799 -10.375 1.00 54.24 C ATOM 0 HA PRO A 43 -4.044 2.730 -9.513 1.00 32.34 H new ATOM 0 HB2 PRO A 43 -6.166 4.216 -11.097 1.00 22.52 H new ATOM 0 HB3 PRO A 43 -6.243 3.681 -9.430 1.00 22.52 H new ATOM 0 HG2 PRO A 43 -5.920 6.280 -9.995 1.00 4.42 H new ATOM 0 HG3 PRO A 43 -5.093 5.568 -8.624 1.00 4.42 H new ATOM 0 HD2 PRO A 43 -3.976 6.303 -11.333 1.00 54.24 H new ATOM 0 HD3 PRO A 43 -3.218 6.438 -9.759 1.00 54.24 H new ATOM 691 N ALA A 44 -4.067 2.973 -12.771 1.00 43.12 N ATOM 692 CA ALA A 44 -4.006 2.206 -14.024 1.00 51.43 C ATOM 693 C ALA A 44 -2.920 1.115 -13.942 1.00 22.54 C ATOM 694 O ALA A 44 -3.179 -0.048 -14.255 1.00 1.54 O ATOM 695 CB ALA A 44 -3.741 3.152 -15.206 1.00 14.34 C ATOM 0 H ALA A 44 -3.867 3.966 -12.892 1.00 43.12 H new ATOM 0 HA ALA A 44 -4.965 1.713 -14.181 1.00 51.43 H new ATOM 0 HB1 ALA A 44 -3.697 2.576 -16.130 1.00 14.34 H new ATOM 0 HB2 ALA A 44 -4.545 3.885 -15.273 1.00 14.34 H new ATOM 0 HB3 ALA A 44 -2.792 3.667 -15.054 1.00 14.34 H new ATOM 701 N ALA A 45 -1.715 1.518 -13.490 1.00 3.43 N ATOM 702 CA ALA A 45 -0.561 0.613 -13.282 1.00 1.30 C ATOM 703 C ALA A 45 -0.821 -0.445 -12.189 1.00 5.23 C ATOM 704 O ALA A 45 -0.236 -1.535 -12.223 1.00 11.43 O ATOM 705 CB ALA A 45 0.686 1.444 -12.934 1.00 44.14 C ATOM 0 H ALA A 45 -1.511 2.490 -13.256 1.00 3.43 H new ATOM 0 HA ALA A 45 -0.401 0.068 -14.212 1.00 1.30 H new ATOM 0 HB1 ALA A 45 1.536 0.779 -12.781 1.00 44.14 H new ATOM 0 HB2 ALA A 45 0.906 2.130 -13.752 1.00 44.14 H new ATOM 0 HB3 ALA A 45 0.502 2.013 -12.023 1.00 44.14 H new ATOM 711 N ALA A 46 -1.723 -0.124 -11.246 1.00 34.13 N ATOM 712 CA ALA A 46 -2.056 -0.990 -10.095 1.00 1.33 C ATOM 713 C ALA A 46 -2.774 -2.303 -10.479 1.00 30.20 C ATOM 714 O ALA A 46 -2.967 -3.154 -9.617 1.00 54.43 O ATOM 715 CB ALA A 46 -2.897 -0.194 -9.093 1.00 33.41 C ATOM 0 H ALA A 46 -2.248 0.751 -11.259 1.00 34.13 H new ATOM 0 HA ALA A 46 -1.110 -1.297 -9.648 1.00 1.33 H new ATOM 0 HB1 ALA A 46 -3.146 -0.828 -8.242 1.00 33.41 H new ATOM 0 HB2 ALA A 46 -2.330 0.671 -8.748 1.00 33.41 H new ATOM 0 HB3 ALA A 46 -3.815 0.143 -9.575 1.00 33.41 H new ATOM 721 N PHE A 47 -3.147 -2.465 -11.770 1.00 14.52 N ATOM 722 CA PHE A 47 -3.874 -3.665 -12.278 1.00 73.44 C ATOM 723 C PHE A 47 -3.096 -4.991 -12.051 1.00 11.42 C ATOM 724 O PHE A 47 -3.682 -6.074 -12.102 1.00 43.24 O ATOM 725 CB PHE A 47 -4.219 -3.483 -13.787 1.00 34.21 C ATOM 726 CG PHE A 47 -3.049 -3.643 -14.775 1.00 34.22 C ATOM 727 CD1 PHE A 47 -1.954 -2.779 -14.748 1.00 25.45 C ATOM 728 CD2 PHE A 47 -3.062 -4.644 -15.747 1.00 11.44 C ATOM 729 CE1 PHE A 47 -0.915 -2.905 -15.653 1.00 51.12 C ATOM 730 CE2 PHE A 47 -2.020 -4.772 -16.650 1.00 70.02 C ATOM 731 CZ PHE A 47 -0.949 -3.901 -16.602 1.00 0.33 C ATOM 0 H PHE A 47 -2.955 -1.771 -12.493 1.00 14.52 H new ATOM 0 HA PHE A 47 -4.794 -3.746 -11.700 1.00 73.44 H new ATOM 0 HB2 PHE A 47 -4.992 -4.205 -14.051 1.00 34.21 H new ATOM 0 HB3 PHE A 47 -4.649 -2.491 -13.923 1.00 34.21 H new ATOM 0 HD1 PHE A 47 -1.917 -1.996 -14.005 1.00 25.45 H new ATOM 0 HD2 PHE A 47 -3.896 -5.328 -15.796 1.00 11.44 H new ATOM 0 HE1 PHE A 47 -0.079 -2.223 -15.615 1.00 51.12 H new ATOM 0 HE2 PHE A 47 -2.045 -5.555 -17.394 1.00 70.02 H new ATOM 0 HZ PHE A 47 -0.139 -4.002 -17.309 1.00 0.33 H new ATOM 741 N ARG A 48 -1.776 -4.881 -11.820 1.00 61.23 N ATOM 742 CA ARG A 48 -0.892 -6.040 -11.567 1.00 21.24 C ATOM 743 C ARG A 48 -1.188 -6.689 -10.193 1.00 14.34 C ATOM 744 O ARG A 48 -1.125 -7.908 -10.046 1.00 63.04 O ATOM 745 CB ARG A 48 0.584 -5.579 -11.607 1.00 2.25 C ATOM 746 CG ARG A 48 0.979 -4.767 -12.855 1.00 33.42 C ATOM 747 CD ARG A 48 1.059 -5.602 -14.143 1.00 43.23 C ATOM 748 NE ARG A 48 2.356 -6.288 -14.295 1.00 74.03 N ATOM 749 CZ ARG A 48 3.159 -6.190 -15.370 1.00 72.12 C ATOM 750 NH1 ARG A 48 2.825 -5.432 -16.410 1.00 61.32 N ATOM 751 NH2 ARG A 48 4.310 -6.839 -15.394 1.00 75.33 N ATOM 0 H ARG A 48 -1.288 -3.985 -11.803 1.00 61.23 H new ATOM 0 HA ARG A 48 -1.078 -6.783 -12.342 1.00 21.24 H new ATOM 0 HB2 ARG A 48 0.785 -4.976 -10.721 1.00 2.25 H new ATOM 0 HB3 ARG A 48 1.225 -6.458 -11.546 1.00 2.25 H new ATOM 0 HG2 ARG A 48 0.255 -3.965 -12.998 1.00 33.42 H new ATOM 0 HG3 ARG A 48 1.946 -4.296 -12.679 1.00 33.42 H new ATOM 0 HD2 ARG A 48 0.259 -6.342 -14.142 1.00 43.23 H new ATOM 0 HD3 ARG A 48 0.892 -4.953 -15.003 1.00 43.23 H new ATOM 0 HE ARG A 48 2.668 -6.882 -13.527 1.00 74.03 H new ATOM 0 HH11 ARG A 48 1.947 -4.913 -16.401 1.00 61.32 H new ATOM 0 HH12 ARG A 48 3.447 -5.370 -17.216 1.00 61.32 H new ATOM 0 HH21 ARG A 48 4.588 -7.413 -14.598 1.00 75.33 H new ATOM 0 HH22 ARG A 48 4.920 -6.766 -16.208 1.00 75.33 H new ATOM 765 N SER A 49 -1.496 -5.835 -9.197 1.00 31.23 N ATOM 766 CA SER A 49 -1.778 -6.248 -7.809 1.00 55.23 C ATOM 767 C SER A 49 -3.199 -5.781 -7.413 1.00 5.12 C ATOM 768 O SER A 49 -3.450 -4.575 -7.352 1.00 61.11 O ATOM 769 CB SER A 49 -0.712 -5.649 -6.855 1.00 63.30 C ATOM 770 OG SER A 49 -1.029 -5.870 -5.487 1.00 30.11 O ATOM 0 H SER A 49 -1.557 -4.826 -9.336 1.00 31.23 H new ATOM 0 HA SER A 49 -1.733 -7.334 -7.731 1.00 55.23 H new ATOM 0 HB2 SER A 49 0.260 -6.090 -7.077 1.00 63.30 H new ATOM 0 HB3 SER A 49 -0.625 -4.578 -7.037 1.00 63.30 H new ATOM 0 HG SER A 49 -1.169 -6.828 -5.334 1.00 30.11 H new ATOM 776 N PRO A 50 -4.167 -6.725 -7.156 1.00 22.22 N ATOM 777 CA PRO A 50 -5.534 -6.371 -6.683 1.00 24.04 C ATOM 778 C PRO A 50 -5.531 -5.559 -5.373 1.00 23.34 C ATOM 779 O PRO A 50 -6.399 -4.705 -5.176 1.00 43.24 O ATOM 780 CB PRO A 50 -6.227 -7.740 -6.490 1.00 65.24 C ATOM 781 CG PRO A 50 -5.469 -8.665 -7.385 1.00 44.02 C ATOM 782 CD PRO A 50 -4.032 -8.191 -7.349 1.00 20.25 C ATOM 0 HA PRO A 50 -6.046 -5.724 -7.396 1.00 24.04 H new ATOM 0 HB2 PRO A 50 -6.182 -8.066 -5.451 1.00 65.24 H new ATOM 0 HB3 PRO A 50 -7.281 -7.695 -6.765 1.00 65.24 H new ATOM 0 HG2 PRO A 50 -5.549 -9.696 -7.040 1.00 44.02 H new ATOM 0 HG3 PRO A 50 -5.864 -8.637 -8.400 1.00 44.02 H new ATOM 0 HD2 PRO A 50 -3.474 -8.655 -6.536 1.00 20.25 H new ATOM 0 HD3 PRO A 50 -3.505 -8.429 -8.273 1.00 20.25 H new ATOM 790 N LEU A 51 -4.536 -5.814 -4.493 1.00 74.31 N ATOM 791 CA LEU A 51 -4.388 -5.061 -3.235 1.00 62.24 C ATOM 792 C LEU A 51 -3.960 -3.616 -3.526 1.00 51.11 C ATOM 793 O LEU A 51 -4.419 -2.697 -2.850 1.00 61.32 O ATOM 794 CB LEU A 51 -3.391 -5.742 -2.261 1.00 3.34 C ATOM 795 CG LEU A 51 -3.182 -5.027 -0.875 1.00 74.11 C ATOM 796 CD1 LEU A 51 -4.525 -4.761 -0.152 1.00 64.30 C ATOM 797 CD2 LEU A 51 -2.218 -5.826 0.027 1.00 73.32 C ATOM 0 H LEU A 51 -3.828 -6.534 -4.634 1.00 74.31 H new ATOM 0 HA LEU A 51 -5.361 -5.051 -2.743 1.00 62.24 H new ATOM 0 HB2 LEU A 51 -3.734 -6.760 -2.074 1.00 3.34 H new ATOM 0 HB3 LEU A 51 -2.424 -5.818 -2.757 1.00 3.34 H new ATOM 0 HG LEU A 51 -2.727 -4.058 -1.082 1.00 74.11 H new ATOM 0 HD11 LEU A 51 -4.334 -4.266 0.800 1.00 64.30 H new ATOM 0 HD12 LEU A 51 -5.152 -4.122 -0.773 1.00 64.30 H new ATOM 0 HD13 LEU A 51 -5.036 -5.707 0.027 1.00 64.30 H new ATOM 0 HD21 LEU A 51 -2.094 -5.306 0.977 1.00 73.32 H new ATOM 0 HD22 LEU A 51 -2.628 -6.820 0.208 1.00 73.32 H new ATOM 0 HD23 LEU A 51 -1.250 -5.917 -0.466 1.00 73.32 H new ATOM 809 N ALA A 52 -3.118 -3.426 -4.567 1.00 25.35 N ATOM 810 CA ALA A 52 -2.706 -2.081 -5.014 1.00 12.40 C ATOM 811 C ALA A 52 -3.936 -1.284 -5.461 1.00 24.34 C ATOM 812 O ALA A 52 -4.107 -0.137 -5.064 1.00 73.01 O ATOM 813 CB ALA A 52 -1.677 -2.168 -6.142 1.00 3.00 C ATOM 0 H ALA A 52 -2.712 -4.188 -5.111 1.00 25.35 H new ATOM 0 HA ALA A 52 -2.235 -1.565 -4.177 1.00 12.40 H new ATOM 0 HB1 ALA A 52 -1.391 -1.163 -6.452 1.00 3.00 H new ATOM 0 HB2 ALA A 52 -0.795 -2.704 -5.790 1.00 3.00 H new ATOM 0 HB3 ALA A 52 -2.110 -2.700 -6.989 1.00 3.00 H new ATOM 819 N ARG A 53 -4.817 -1.950 -6.237 1.00 43.33 N ATOM 820 CA ARG A 53 -6.120 -1.393 -6.657 1.00 0.04 C ATOM 821 C ARG A 53 -6.972 -0.967 -5.441 1.00 65.14 C ATOM 822 O ARG A 53 -7.595 0.101 -5.451 1.00 31.11 O ATOM 823 CB ARG A 53 -6.902 -2.436 -7.511 1.00 43.53 C ATOM 824 CG ARG A 53 -6.393 -2.628 -8.958 1.00 75.43 C ATOM 825 CD ARG A 53 -6.541 -1.351 -9.808 1.00 73.22 C ATOM 826 NE ARG A 53 -7.896 -0.770 -9.679 1.00 14.31 N ATOM 827 CZ ARG A 53 -8.242 0.486 -10.007 1.00 35.52 C ATOM 828 NH1 ARG A 53 -7.351 1.329 -10.500 1.00 31.33 N ATOM 829 NH2 ARG A 53 -9.473 0.913 -9.773 1.00 20.54 N ATOM 0 H ARG A 53 -4.644 -2.891 -6.591 1.00 43.33 H new ATOM 0 HA ARG A 53 -5.922 -0.506 -7.259 1.00 0.04 H new ATOM 0 HB2 ARG A 53 -6.865 -3.398 -7.001 1.00 43.53 H new ATOM 0 HB3 ARG A 53 -7.949 -2.136 -7.550 1.00 43.53 H new ATOM 0 HG2 ARG A 53 -5.345 -2.926 -8.935 1.00 75.43 H new ATOM 0 HG3 ARG A 53 -6.945 -3.441 -9.430 1.00 75.43 H new ATOM 0 HD2 ARG A 53 -5.798 -0.617 -9.497 1.00 73.22 H new ATOM 0 HD3 ARG A 53 -6.341 -1.583 -10.854 1.00 73.22 H new ATOM 0 HE ARG A 53 -8.630 -1.375 -9.310 1.00 14.31 H new ATOM 0 HH11 ARG A 53 -6.386 1.029 -10.636 1.00 31.33 H new ATOM 0 HH12 ARG A 53 -7.629 2.280 -10.744 1.00 31.33 H new ATOM 0 HH21 ARG A 53 -10.156 0.289 -9.344 1.00 20.54 H new ATOM 0 HH22 ARG A 53 -9.738 1.866 -10.021 1.00 20.54 H new ATOM 843 N GLN A 54 -6.968 -1.811 -4.390 1.00 13.32 N ATOM 844 CA GLN A 54 -7.757 -1.572 -3.168 1.00 14.15 C ATOM 845 C GLN A 54 -7.157 -0.448 -2.290 1.00 21.31 C ATOM 846 O GLN A 54 -7.871 0.163 -1.487 1.00 30.53 O ATOM 847 CB GLN A 54 -7.930 -2.882 -2.354 1.00 60.40 C ATOM 848 CG GLN A 54 -8.715 -3.988 -3.085 1.00 31.31 C ATOM 849 CD GLN A 54 -9.098 -5.175 -2.195 1.00 52.15 C ATOM 850 OE1 GLN A 54 -8.430 -5.472 -1.204 1.00 74.21 O ATOM 851 NE2 GLN A 54 -10.172 -5.870 -2.549 1.00 34.23 N ATOM 0 H GLN A 54 -6.421 -2.672 -4.365 1.00 13.32 H new ATOM 0 HA GLN A 54 -8.742 -1.232 -3.487 1.00 14.15 H new ATOM 0 HB2 GLN A 54 -6.944 -3.266 -2.093 1.00 60.40 H new ATOM 0 HB3 GLN A 54 -8.440 -2.649 -1.419 1.00 60.40 H new ATOM 0 HG2 GLN A 54 -9.623 -3.556 -3.507 1.00 31.31 H new ATOM 0 HG3 GLN A 54 -8.117 -4.352 -3.920 1.00 31.31 H new ATOM 0 HE21 GLN A 54 -10.705 -5.599 -3.375 1.00 34.23 H new ATOM 0 HE22 GLN A 54 -10.464 -6.675 -1.995 1.00 34.23 H new ATOM 860 N LEU A 55 -5.845 -0.212 -2.428 1.00 63.32 N ATOM 861 CA LEU A 55 -5.151 0.914 -1.764 1.00 14.54 C ATOM 862 C LEU A 55 -5.392 2.237 -2.532 1.00 33.54 C ATOM 863 O LEU A 55 -5.516 3.299 -1.923 1.00 51.40 O ATOM 864 CB LEU A 55 -3.633 0.597 -1.619 1.00 52.21 C ATOM 865 CG LEU A 55 -3.283 -0.618 -0.684 1.00 22.44 C ATOM 866 CD1 LEU A 55 -1.768 -0.912 -0.674 1.00 61.50 C ATOM 867 CD2 LEU A 55 -3.814 -0.404 0.755 1.00 50.34 C ATOM 0 H LEU A 55 -5.231 -0.791 -3.000 1.00 63.32 H new ATOM 0 HA LEU A 55 -5.563 1.043 -0.763 1.00 14.54 H new ATOM 0 HB2 LEU A 55 -3.224 0.400 -2.610 1.00 52.21 H new ATOM 0 HB3 LEU A 55 -3.129 1.485 -1.237 1.00 52.21 H new ATOM 0 HG LEU A 55 -3.788 -1.491 -1.097 1.00 22.44 H new ATOM 0 HD11 LEU A 55 -1.566 -1.758 -0.017 1.00 61.50 H new ATOM 0 HD12 LEU A 55 -1.437 -1.151 -1.685 1.00 61.50 H new ATOM 0 HD13 LEU A 55 -1.230 -0.036 -0.313 1.00 61.50 H new ATOM 0 HD21 LEU A 55 -3.553 -1.264 1.371 1.00 50.34 H new ATOM 0 HD22 LEU A 55 -3.366 0.495 1.178 1.00 50.34 H new ATOM 0 HD23 LEU A 55 -4.898 -0.292 0.730 1.00 50.34 H new ATOM 879 N PHE A 56 -5.502 2.145 -3.874 1.00 1.11 N ATOM 880 CA PHE A 56 -5.807 3.305 -4.755 1.00 21.51 C ATOM 881 C PHE A 56 -7.297 3.711 -4.686 1.00 35.13 C ATOM 882 O PHE A 56 -7.691 4.717 -5.289 1.00 43.41 O ATOM 883 CB PHE A 56 -5.377 3.003 -6.221 1.00 40.03 C ATOM 884 CG PHE A 56 -3.894 3.262 -6.509 1.00 34.01 C ATOM 885 CD1 PHE A 56 -3.432 4.561 -6.706 1.00 10.35 C ATOM 886 CD2 PHE A 56 -2.974 2.222 -6.599 1.00 61.33 C ATOM 887 CE1 PHE A 56 -2.105 4.800 -6.992 1.00 63.24 C ATOM 888 CE2 PHE A 56 -1.648 2.466 -6.881 1.00 32.54 C ATOM 889 CZ PHE A 56 -1.217 3.752 -7.076 1.00 11.54 C ATOM 0 H PHE A 56 -5.383 1.268 -4.382 1.00 1.11 H new ATOM 0 HA PHE A 56 -5.230 4.155 -4.391 1.00 21.51 H new ATOM 0 HB2 PHE A 56 -5.602 1.960 -6.446 1.00 40.03 H new ATOM 0 HB3 PHE A 56 -5.978 3.612 -6.896 1.00 40.03 H new ATOM 0 HD1 PHE A 56 -4.121 5.390 -6.634 1.00 10.35 H new ATOM 0 HD2 PHE A 56 -3.305 1.206 -6.445 1.00 61.33 H new ATOM 0 HE1 PHE A 56 -1.761 5.812 -7.150 1.00 63.24 H new ATOM 0 HE2 PHE A 56 -0.949 1.645 -6.948 1.00 32.54 H new ATOM 0 HZ PHE A 56 -0.177 3.944 -7.296 1.00 11.54 H new ATOM 899 N ARG A 57 -8.111 2.914 -3.963 1.00 12.21 N ATOM 900 CA ARG A 57 -9.484 3.295 -3.563 1.00 44.23 C ATOM 901 C ARG A 57 -9.487 4.580 -2.713 1.00 35.41 C ATOM 902 O ARG A 57 -10.443 5.358 -2.762 1.00 4.32 O ATOM 903 CB ARG A 57 -10.148 2.160 -2.742 1.00 13.03 C ATOM 904 CG ARG A 57 -10.663 0.950 -3.552 1.00 71.32 C ATOM 905 CD ARG A 57 -11.071 -0.232 -2.635 1.00 41.23 C ATOM 906 NE ARG A 57 -11.972 0.157 -1.521 1.00 52.30 N ATOM 907 CZ ARG A 57 -11.616 0.264 -0.218 1.00 15.40 C ATOM 908 NH1 ARG A 57 -10.364 0.023 0.177 1.00 72.23 N ATOM 909 NH2 ARG A 57 -12.532 0.600 0.680 1.00 12.01 N ATOM 0 H ARG A 57 -7.836 1.987 -3.639 1.00 12.21 H new ATOM 0 HA ARG A 57 -10.046 3.471 -4.480 1.00 44.23 H new ATOM 0 HB2 ARG A 57 -9.427 1.800 -2.008 1.00 13.03 H new ATOM 0 HB3 ARG A 57 -10.985 2.583 -2.186 1.00 13.03 H new ATOM 0 HG2 ARG A 57 -11.519 1.255 -4.153 1.00 71.32 H new ATOM 0 HG3 ARG A 57 -9.888 0.621 -4.244 1.00 71.32 H new ATOM 0 HD2 ARG A 57 -11.563 -0.995 -3.238 1.00 41.23 H new ATOM 0 HD3 ARG A 57 -10.171 -0.685 -2.220 1.00 41.23 H new ATOM 0 HE ARG A 57 -12.943 0.361 -1.757 1.00 52.30 H new ATOM 0 HH11 ARG A 57 -9.657 -0.247 -0.506 1.00 72.23 H new ATOM 0 HH12 ARG A 57 -10.115 0.109 1.162 1.00 72.23 H new ATOM 0 HH21 ARG A 57 -13.493 0.775 0.387 1.00 12.01 H new ATOM 0 HH22 ARG A 57 -12.275 0.683 1.664 1.00 12.01 H new ATOM 923 N ILE A 58 -8.395 4.794 -1.951 1.00 33.43 N ATOM 924 CA ILE A 58 -8.291 5.866 -0.958 1.00 35.51 C ATOM 925 C ILE A 58 -7.961 7.190 -1.664 1.00 14.41 C ATOM 926 O ILE A 58 -7.027 7.257 -2.469 1.00 4.24 O ATOM 927 CB ILE A 58 -7.180 5.523 0.100 1.00 2.23 C ATOM 928 CG1 ILE A 58 -7.479 4.135 0.748 1.00 13.31 C ATOM 929 CG2 ILE A 58 -7.028 6.637 1.172 1.00 14.32 C ATOM 930 CD1 ILE A 58 -6.415 3.636 1.703 1.00 14.03 C ATOM 0 H ILE A 58 -7.556 4.218 -2.014 1.00 33.43 H new ATOM 0 HA ILE A 58 -9.244 5.965 -0.438 1.00 35.51 H new ATOM 0 HB ILE A 58 -6.222 5.468 -0.417 1.00 2.23 H new ATOM 0 HG12 ILE A 58 -8.427 4.196 1.283 1.00 13.31 H new ATOM 0 HG13 ILE A 58 -7.608 3.400 -0.046 1.00 13.31 H new ATOM 0 HG21 ILE A 58 -6.249 6.356 1.881 1.00 14.32 H new ATOM 0 HG22 ILE A 58 -6.756 7.574 0.687 1.00 14.32 H new ATOM 0 HG23 ILE A 58 -7.972 6.764 1.702 1.00 14.32 H new ATOM 0 HD11 ILE A 58 -6.711 2.666 2.102 1.00 14.03 H new ATOM 0 HD12 ILE A 58 -5.468 3.537 1.173 1.00 14.03 H new ATOM 0 HD13 ILE A 58 -6.300 4.346 2.522 1.00 14.03 H new ATOM 942 N GLU A 59 -8.742 8.220 -1.319 1.00 15.31 N ATOM 943 CA GLU A 59 -8.667 9.586 -1.885 1.00 13.14 C ATOM 944 C GLU A 59 -7.268 10.217 -1.798 1.00 24.05 C ATOM 945 O GLU A 59 -6.867 11.005 -2.659 1.00 45.32 O ATOM 946 CB GLU A 59 -9.697 10.468 -1.131 1.00 30.24 C ATOM 947 CG GLU A 59 -9.481 10.515 0.398 1.00 73.25 C ATOM 948 CD GLU A 59 -10.556 11.312 1.139 1.00 63.33 C ATOM 949 OE1 GLU A 59 -11.586 10.721 1.520 1.00 2.25 O ATOM 950 OE2 GLU A 59 -10.370 12.531 1.355 1.00 71.15 O ATOM 0 H GLU A 59 -9.473 8.129 -0.613 1.00 15.31 H new ATOM 0 HA GLU A 59 -8.892 9.521 -2.950 1.00 13.14 H new ATOM 0 HB2 GLU A 59 -9.650 11.483 -1.526 1.00 30.24 H new ATOM 0 HB3 GLU A 59 -10.700 10.093 -1.335 1.00 30.24 H new ATOM 0 HG2 GLU A 59 -9.462 9.497 0.786 1.00 73.25 H new ATOM 0 HG3 GLU A 59 -8.505 10.954 0.606 1.00 73.25 H new ATOM 957 N GLY A 60 -6.551 9.833 -0.755 1.00 71.43 N ATOM 958 CA GLY A 60 -5.271 10.432 -0.425 1.00 30.10 C ATOM 959 C GLY A 60 -4.082 9.782 -1.111 1.00 55.01 C ATOM 960 O GLY A 60 -2.991 10.322 -1.040 1.00 25.24 O ATOM 0 H GLY A 60 -6.842 9.096 -0.113 1.00 71.43 H new ATOM 0 HA2 GLY A 60 -5.297 11.488 -0.693 1.00 30.10 H new ATOM 0 HA3 GLY A 60 -5.126 10.380 0.654 1.00 30.10 H new ATOM 964 N VAL A 61 -4.282 8.631 -1.770 1.00 43.33 N ATOM 965 CA VAL A 61 -3.175 7.840 -2.339 1.00 3.23 C ATOM 966 C VAL A 61 -2.799 8.326 -3.755 1.00 23.02 C ATOM 967 O VAL A 61 -3.627 8.308 -4.673 1.00 41.53 O ATOM 968 CB VAL A 61 -3.522 6.304 -2.348 1.00 13.54 C ATOM 969 CG1 VAL A 61 -2.465 5.474 -3.119 1.00 14.40 C ATOM 970 CG2 VAL A 61 -3.671 5.783 -0.898 1.00 11.43 C ATOM 0 H VAL A 61 -5.204 8.224 -1.924 1.00 43.33 H new ATOM 0 HA VAL A 61 -2.306 7.988 -1.697 1.00 3.23 H new ATOM 0 HB VAL A 61 -4.470 6.183 -2.871 1.00 13.54 H new ATOM 0 HG11 VAL A 61 -2.745 4.421 -3.100 1.00 14.40 H new ATOM 0 HG12 VAL A 61 -2.416 5.817 -4.152 1.00 14.40 H new ATOM 0 HG13 VAL A 61 -1.490 5.599 -2.648 1.00 14.40 H new ATOM 0 HG21 VAL A 61 -3.911 4.720 -0.916 1.00 11.43 H new ATOM 0 HG22 VAL A 61 -2.736 5.935 -0.359 1.00 11.43 H new ATOM 0 HG23 VAL A 61 -4.471 6.327 -0.396 1.00 11.43 H new ATOM 980 N LYS A 62 -1.531 8.758 -3.890 1.00 30.43 N ATOM 981 CA LYS A 62 -0.917 9.177 -5.164 1.00 73.41 C ATOM 982 C LYS A 62 -0.380 7.961 -5.926 1.00 53.33 C ATOM 983 O LYS A 62 -0.641 7.789 -7.116 1.00 14.50 O ATOM 984 CB LYS A 62 0.254 10.153 -4.866 1.00 43.51 C ATOM 985 CG LYS A 62 0.923 10.812 -6.095 1.00 73.50 C ATOM 986 CD LYS A 62 -0.010 11.814 -6.819 1.00 31.43 C ATOM 987 CE LYS A 62 0.667 12.486 -8.024 1.00 50.41 C ATOM 988 NZ LYS A 62 -0.225 13.478 -8.678 1.00 14.14 N ATOM 0 H LYS A 62 -0.891 8.827 -3.099 1.00 30.43 H new ATOM 0 HA LYS A 62 -1.672 9.670 -5.776 1.00 73.41 H new ATOM 0 HB2 LYS A 62 -0.116 10.943 -4.213 1.00 43.51 H new ATOM 0 HB3 LYS A 62 1.018 9.611 -4.309 1.00 43.51 H new ATOM 0 HG2 LYS A 62 1.828 11.330 -5.777 1.00 73.50 H new ATOM 0 HG3 LYS A 62 1.230 10.036 -6.796 1.00 73.50 H new ATOM 0 HD2 LYS A 62 -0.907 11.293 -7.155 1.00 31.43 H new ATOM 0 HD3 LYS A 62 -0.332 12.580 -6.114 1.00 31.43 H new ATOM 0 HE2 LYS A 62 1.582 12.980 -7.697 1.00 50.41 H new ATOM 0 HE3 LYS A 62 0.957 11.725 -8.749 1.00 50.41 H new ATOM 0 HZ1 LYS A 62 0.268 13.909 -9.486 1.00 14.14 H new ATOM 0 HZ2 LYS A 62 -1.087 13.002 -9.012 1.00 14.14 H new ATOM 0 HZ3 LYS A 62 -0.481 14.218 -7.994 1.00 14.14 H new ATOM 1002 N SER A 63 0.362 7.114 -5.199 1.00 33.33 N ATOM 1003 CA SER A 63 1.140 6.012 -5.784 1.00 74.00 C ATOM 1004 C SER A 63 1.527 5.009 -4.689 1.00 4.45 C ATOM 1005 O SER A 63 1.823 5.407 -3.562 1.00 40.12 O ATOM 1006 CB SER A 63 2.389 6.569 -6.513 1.00 61.44 C ATOM 1007 OG SER A 63 3.096 7.489 -5.697 1.00 71.11 O ATOM 0 H SER A 63 0.440 7.174 -4.184 1.00 33.33 H new ATOM 0 HA SER A 63 0.532 5.488 -6.521 1.00 74.00 H new ATOM 0 HB2 SER A 63 3.047 5.746 -6.791 1.00 61.44 H new ATOM 0 HB3 SER A 63 2.084 7.060 -7.437 1.00 61.44 H new ATOM 0 HG SER A 63 3.879 7.822 -6.183 1.00 71.11 H new ATOM 1013 N VAL A 64 1.507 3.703 -5.017 1.00 41.41 N ATOM 1014 CA VAL A 64 1.849 2.622 -4.061 1.00 65.44 C ATOM 1015 C VAL A 64 3.014 1.795 -4.618 1.00 74.32 C ATOM 1016 O VAL A 64 3.098 1.561 -5.821 1.00 62.31 O ATOM 1017 CB VAL A 64 0.625 1.663 -3.775 1.00 71.54 C ATOM 1018 CG1 VAL A 64 0.987 0.587 -2.727 1.00 21.40 C ATOM 1019 CG2 VAL A 64 -0.622 2.449 -3.322 1.00 5.11 C ATOM 0 H VAL A 64 1.255 3.365 -5.946 1.00 41.41 H new ATOM 0 HA VAL A 64 2.128 3.096 -3.120 1.00 65.44 H new ATOM 0 HB VAL A 64 0.388 1.164 -4.715 1.00 71.54 H new ATOM 0 HG11 VAL A 64 0.124 -0.056 -2.553 1.00 21.40 H new ATOM 0 HG12 VAL A 64 1.819 -0.014 -3.095 1.00 21.40 H new ATOM 0 HG13 VAL A 64 1.274 1.071 -1.793 1.00 21.40 H new ATOM 0 HG21 VAL A 64 -1.442 1.755 -3.135 1.00 5.11 H new ATOM 0 HG22 VAL A 64 -0.395 2.996 -2.407 1.00 5.11 H new ATOM 0 HG23 VAL A 64 -0.913 3.152 -4.103 1.00 5.11 H new ATOM 1029 N PHE A 65 3.891 1.340 -3.728 1.00 35.31 N ATOM 1030 CA PHE A 65 5.038 0.494 -4.057 1.00 31.20 C ATOM 1031 C PHE A 65 4.957 -0.776 -3.199 1.00 45.43 C ATOM 1032 O PHE A 65 4.895 -0.695 -1.971 1.00 44.23 O ATOM 1033 CB PHE A 65 6.369 1.256 -3.785 1.00 21.20 C ATOM 1034 CG PHE A 65 7.630 0.383 -3.866 1.00 71.40 C ATOM 1035 CD1 PHE A 65 8.072 -0.121 -5.090 1.00 31.30 C ATOM 1036 CD2 PHE A 65 8.355 0.049 -2.716 1.00 71.43 C ATOM 1037 CE1 PHE A 65 9.197 -0.921 -5.162 1.00 21.41 C ATOM 1038 CE2 PHE A 65 9.479 -0.754 -2.793 1.00 71.22 C ATOM 1039 CZ PHE A 65 9.898 -1.237 -4.013 1.00 73.23 C ATOM 0 H PHE A 65 3.824 1.554 -2.733 1.00 35.31 H new ATOM 0 HA PHE A 65 5.019 0.229 -5.114 1.00 31.20 H new ATOM 0 HB2 PHE A 65 6.460 2.071 -4.503 1.00 21.20 H new ATOM 0 HB3 PHE A 65 6.318 1.708 -2.794 1.00 21.20 H new ATOM 0 HD1 PHE A 65 7.528 0.117 -5.992 1.00 31.30 H new ATOM 0 HD2 PHE A 65 8.033 0.423 -1.756 1.00 71.43 H new ATOM 0 HE1 PHE A 65 9.529 -1.300 -6.117 1.00 21.41 H new ATOM 0 HE2 PHE A 65 10.028 -1.002 -1.897 1.00 71.22 H new ATOM 0 HZ PHE A 65 10.776 -1.864 -4.072 1.00 73.23 H new ATOM 1049 N PHE A 66 4.930 -1.940 -3.852 1.00 44.32 N ATOM 1050 CA PHE A 66 5.047 -3.241 -3.173 1.00 0.21 C ATOM 1051 C PHE A 66 6.506 -3.721 -3.269 1.00 44.31 C ATOM 1052 O PHE A 66 7.132 -3.634 -4.334 1.00 64.21 O ATOM 1053 CB PHE A 66 4.084 -4.283 -3.805 1.00 61.33 C ATOM 1054 CG PHE A 66 2.607 -4.143 -3.430 1.00 53.24 C ATOM 1055 CD1 PHE A 66 1.910 -2.965 -3.672 1.00 61.42 C ATOM 1056 CD2 PHE A 66 1.916 -5.207 -2.845 1.00 12.30 C ATOM 1057 CE1 PHE A 66 0.575 -2.854 -3.343 1.00 75.44 C ATOM 1058 CE2 PHE A 66 0.580 -5.090 -2.518 1.00 54.25 C ATOM 1059 CZ PHE A 66 -0.088 -3.912 -2.769 1.00 30.21 C ATOM 0 H PHE A 66 4.827 -2.012 -4.864 1.00 44.32 H new ATOM 0 HA PHE A 66 4.767 -3.130 -2.125 1.00 0.21 H new ATOM 0 HB2 PHE A 66 4.171 -4.218 -4.890 1.00 61.33 H new ATOM 0 HB3 PHE A 66 4.419 -5.280 -3.517 1.00 61.33 H new ATOM 0 HD1 PHE A 66 2.420 -2.127 -4.123 1.00 61.42 H new ATOM 0 HD2 PHE A 66 2.434 -6.134 -2.646 1.00 12.30 H new ATOM 0 HE1 PHE A 66 0.048 -1.931 -3.537 1.00 75.44 H new ATOM 0 HE2 PHE A 66 0.059 -5.921 -2.066 1.00 54.25 H new ATOM 0 HZ PHE A 66 -1.134 -3.820 -2.515 1.00 30.21 H new ATOM 1069 N GLY A 67 7.020 -4.219 -2.142 1.00 74.20 N ATOM 1070 CA GLY A 67 8.383 -4.733 -2.030 1.00 55.52 C ATOM 1071 C GLY A 67 8.463 -5.907 -1.056 1.00 52.33 C ATOM 1072 O GLY A 67 7.434 -6.295 -0.484 1.00 55.02 O ATOM 0 H GLY A 67 6.492 -4.276 -1.271 1.00 74.20 H new ATOM 0 HA2 GLY A 67 8.735 -5.049 -3.012 1.00 55.52 H new ATOM 0 HA3 GLY A 67 9.047 -3.936 -1.695 1.00 55.52 H new ATOM 1076 N PRO A 68 9.662 -6.543 -0.884 1.00 2.33 N ATOM 1077 CA PRO A 68 9.857 -7.673 0.071 1.00 41.53 C ATOM 1078 C PRO A 68 9.417 -7.327 1.514 1.00 41.10 C ATOM 1079 O PRO A 68 10.001 -6.436 2.148 1.00 60.23 O ATOM 1080 CB PRO A 68 11.383 -7.954 -0.016 1.00 2.33 C ATOM 1081 CG PRO A 68 11.781 -7.457 -1.377 1.00 45.53 C ATOM 1082 CD PRO A 68 10.912 -6.240 -1.633 1.00 33.30 C ATOM 0 HA PRO A 68 9.244 -8.538 -0.184 1.00 41.53 H new ATOM 0 HB2 PRO A 68 11.928 -7.433 0.771 1.00 2.33 H new ATOM 0 HB3 PRO A 68 11.598 -9.017 0.097 1.00 2.33 H new ATOM 0 HG2 PRO A 68 12.839 -7.197 -1.406 1.00 45.53 H new ATOM 0 HG3 PRO A 68 11.620 -8.222 -2.137 1.00 45.53 H new ATOM 0 HD2 PRO A 68 11.385 -5.326 -1.273 1.00 33.30 H new ATOM 0 HD3 PRO A 68 10.719 -6.101 -2.697 1.00 33.30 H new ATOM 1090 N ASP A 69 8.333 -7.997 1.969 1.00 50.41 N ATOM 1091 CA ASP A 69 7.815 -7.936 3.363 1.00 35.41 C ATOM 1092 C ASP A 69 7.245 -6.561 3.744 1.00 33.14 C ATOM 1093 O ASP A 69 6.992 -6.315 4.932 1.00 12.34 O ATOM 1094 CB ASP A 69 8.891 -8.377 4.403 1.00 31.21 C ATOM 1095 CG ASP A 69 9.306 -9.839 4.244 1.00 33.14 C ATOM 1096 OD1 ASP A 69 10.102 -10.135 3.331 1.00 4.43 O ATOM 1097 OD2 ASP A 69 8.850 -10.693 5.035 1.00 2.44 O ATOM 0 H ASP A 69 7.780 -8.608 1.368 1.00 50.41 H new ATOM 0 HA ASP A 69 6.988 -8.645 3.390 1.00 35.41 H new ATOM 0 HB2 ASP A 69 9.771 -7.741 4.300 1.00 31.21 H new ATOM 0 HB3 ASP A 69 8.502 -8.222 5.409 1.00 31.21 H new ATOM 1102 N SER A 70 7.004 -5.687 2.751 1.00 1.45 N ATOM 1103 CA SER A 70 6.573 -4.304 3.016 1.00 72.31 C ATOM 1104 C SER A 70 5.857 -3.696 1.801 1.00 51.42 C ATOM 1105 O SER A 70 6.132 -4.050 0.662 1.00 12.02 O ATOM 1106 CB SER A 70 7.796 -3.457 3.421 1.00 11.34 C ATOM 1107 OG SER A 70 8.840 -3.567 2.460 1.00 60.13 O ATOM 0 H SER A 70 7.100 -5.913 1.761 1.00 1.45 H new ATOM 0 HA SER A 70 5.855 -4.311 3.836 1.00 72.31 H new ATOM 0 HB2 SER A 70 7.501 -2.413 3.523 1.00 11.34 H new ATOM 0 HB3 SER A 70 8.160 -3.782 4.396 1.00 11.34 H new ATOM 0 HG SER A 70 9.207 -4.476 2.478 1.00 60.13 H new ATOM 1113 N ILE A 71 4.915 -2.789 2.086 1.00 45.53 N ATOM 1114 CA ILE A 71 4.133 -2.048 1.092 1.00 2.34 C ATOM 1115 C ILE A 71 4.223 -0.555 1.458 1.00 63.40 C ATOM 1116 O ILE A 71 3.615 -0.119 2.439 1.00 53.54 O ATOM 1117 CB ILE A 71 2.622 -2.516 1.109 1.00 3.32 C ATOM 1118 CG1 ILE A 71 2.519 -4.065 0.924 1.00 75.21 C ATOM 1119 CG2 ILE A 71 1.800 -1.770 0.033 1.00 63.14 C ATOM 1120 CD1 ILE A 71 1.134 -4.643 1.146 1.00 1.12 C ATOM 0 H ILE A 71 4.669 -2.544 3.045 1.00 45.53 H new ATOM 0 HA ILE A 71 4.525 -2.230 0.091 1.00 2.34 H new ATOM 0 HB ILE A 71 2.200 -2.265 2.082 1.00 3.32 H new ATOM 0 HG12 ILE A 71 2.845 -4.319 -0.085 1.00 75.21 H new ATOM 0 HG13 ILE A 71 3.213 -4.546 1.614 1.00 75.21 H new ATOM 0 HG21 ILE A 71 0.765 -2.110 0.065 1.00 63.14 H new ATOM 0 HG22 ILE A 71 1.836 -0.698 0.226 1.00 63.14 H new ATOM 0 HG23 ILE A 71 2.219 -1.976 -0.952 1.00 63.14 H new ATOM 0 HD11 ILE A 71 1.162 -5.722 0.996 1.00 1.12 H new ATOM 0 HD12 ILE A 71 0.808 -4.427 2.163 1.00 1.12 H new ATOM 0 HD13 ILE A 71 0.436 -4.196 0.439 1.00 1.12 H new ATOM 1132 N THR A 72 5.004 0.216 0.696 1.00 40.12 N ATOM 1133 CA THR A 72 5.206 1.647 0.951 1.00 24.30 C ATOM 1134 C THR A 72 4.195 2.467 0.119 1.00 51.12 C ATOM 1135 O THR A 72 4.221 2.413 -1.106 1.00 1.13 O ATOM 1136 CB THR A 72 6.670 2.044 0.575 1.00 71.32 C ATOM 1137 OG1 THR A 72 7.586 1.153 1.237 1.00 2.20 O ATOM 1138 CG2 THR A 72 7.005 3.492 0.964 1.00 12.44 C ATOM 0 H THR A 72 5.514 -0.133 -0.115 1.00 40.12 H new ATOM 0 HA THR A 72 5.045 1.858 2.008 1.00 24.30 H new ATOM 0 HB THR A 72 6.763 1.965 -0.508 1.00 71.32 H new ATOM 0 HG1 THR A 72 8.506 1.397 1.003 1.00 2.20 H new ATOM 0 HG21 THR A 72 8.033 3.716 0.681 1.00 12.44 H new ATOM 0 HG22 THR A 72 6.329 4.173 0.447 1.00 12.44 H new ATOM 0 HG23 THR A 72 6.890 3.615 2.041 1.00 12.44 H new ATOM 1146 N VAL A 73 3.316 3.224 0.795 1.00 60.32 N ATOM 1147 CA VAL A 73 2.232 4.001 0.147 1.00 74.31 C ATOM 1148 C VAL A 73 2.623 5.496 0.161 1.00 1.45 C ATOM 1149 O VAL A 73 3.275 5.947 1.101 1.00 41.50 O ATOM 1150 CB VAL A 73 0.850 3.779 0.888 1.00 74.30 C ATOM 1151 CG1 VAL A 73 -0.302 4.546 0.198 1.00 34.12 C ATOM 1152 CG2 VAL A 73 0.510 2.269 0.997 1.00 54.33 C ATOM 0 H VAL A 73 3.332 3.319 1.810 1.00 60.32 H new ATOM 0 HA VAL A 73 2.107 3.660 -0.881 1.00 74.31 H new ATOM 0 HB VAL A 73 0.959 4.181 1.895 1.00 74.30 H new ATOM 0 HG11 VAL A 73 -1.232 4.367 0.737 1.00 34.12 H new ATOM 0 HG12 VAL A 73 -0.081 5.613 0.200 1.00 34.12 H new ATOM 0 HG13 VAL A 73 -0.406 4.199 -0.830 1.00 34.12 H new ATOM 0 HG21 VAL A 73 -0.444 2.147 1.510 1.00 54.33 H new ATOM 0 HG22 VAL A 73 0.442 1.838 -0.002 1.00 54.33 H new ATOM 0 HG23 VAL A 73 1.292 1.760 1.560 1.00 54.33 H new ATOM 1162 N THR A 74 2.251 6.243 -0.891 1.00 22.55 N ATOM 1163 CA THR A 74 2.553 7.687 -1.029 1.00 51.42 C ATOM 1164 C THR A 74 1.230 8.491 -1.131 1.00 24.05 C ATOM 1165 O THR A 74 0.240 7.990 -1.680 1.00 15.53 O ATOM 1166 CB THR A 74 3.449 7.934 -2.293 1.00 15.11 C ATOM 1167 OG1 THR A 74 4.623 7.109 -2.208 1.00 61.53 O ATOM 1168 CG2 THR A 74 3.878 9.406 -2.445 1.00 51.34 C ATOM 0 H THR A 74 1.727 5.863 -1.680 1.00 22.55 H new ATOM 0 HA THR A 74 3.101 8.025 -0.150 1.00 51.42 H new ATOM 0 HB THR A 74 2.851 7.678 -3.168 1.00 15.11 H new ATOM 0 HG1 THR A 74 4.932 7.075 -1.279 1.00 61.53 H new ATOM 0 HG21 THR A 74 4.495 9.515 -3.337 1.00 51.34 H new ATOM 0 HG22 THR A 74 2.993 10.035 -2.538 1.00 51.34 H new ATOM 0 HG23 THR A 74 4.450 9.711 -1.568 1.00 51.34 H new ATOM 1176 N LYS A 75 1.228 9.724 -0.581 1.00 54.02 N ATOM 1177 CA LYS A 75 0.045 10.613 -0.552 1.00 31.21 C ATOM 1178 C LYS A 75 0.104 11.627 -1.712 1.00 64.20 C ATOM 1179 O LYS A 75 1.180 11.855 -2.288 1.00 0.14 O ATOM 1180 CB LYS A 75 -0.032 11.369 0.810 1.00 62.03 C ATOM 1181 CG LYS A 75 1.070 12.439 1.009 1.00 62.41 C ATOM 1182 CD LYS A 75 1.089 13.080 2.417 1.00 51.10 C ATOM 1183 CE LYS A 75 1.305 12.070 3.548 1.00 45.02 C ATOM 1184 NZ LYS A 75 1.546 12.732 4.860 1.00 1.51 N ATOM 0 H LYS A 75 2.052 10.134 -0.142 1.00 54.02 H new ATOM 0 HA LYS A 75 -0.848 9.999 -0.667 1.00 31.21 H new ATOM 0 HB2 LYS A 75 -1.007 11.849 0.891 1.00 62.03 H new ATOM 0 HB3 LYS A 75 0.033 10.642 1.620 1.00 62.03 H new ATOM 0 HG2 LYS A 75 2.041 11.983 0.817 1.00 62.41 H new ATOM 0 HG3 LYS A 75 0.935 13.225 0.266 1.00 62.41 H new ATOM 0 HD2 LYS A 75 1.879 13.830 2.455 1.00 51.10 H new ATOM 0 HD3 LYS A 75 0.146 13.602 2.582 1.00 51.10 H new ATOM 0 HE2 LYS A 75 0.431 11.423 3.625 1.00 45.02 H new ATOM 0 HE3 LYS A 75 2.154 11.432 3.304 1.00 45.02 H new ATOM 0 HZ1 LYS A 75 1.484 12.026 5.621 1.00 1.51 H new ATOM 0 HZ2 LYS A 75 2.493 13.163 4.863 1.00 1.51 H new ATOM 0 HZ3 LYS A 75 0.830 13.470 5.013 1.00 1.51 H new ATOM 1198 N GLU A 76 -1.065 12.225 -2.033 1.00 63.45 N ATOM 1199 CA GLU A 76 -1.221 13.238 -3.103 1.00 62.45 C ATOM 1200 C GLU A 76 -0.262 14.432 -2.914 1.00 5.44 C ATOM 1201 O GLU A 76 0.456 14.827 -3.843 1.00 22.42 O ATOM 1202 CB GLU A 76 -2.689 13.742 -3.129 1.00 74.41 C ATOM 1203 CG GLU A 76 -3.729 12.745 -3.692 1.00 51.53 C ATOM 1204 CD GLU A 76 -3.661 12.614 -5.225 1.00 4.10 C ATOM 1205 OE1 GLU A 76 -3.957 13.616 -5.924 1.00 63.13 O ATOM 1206 OE2 GLU A 76 -3.305 11.533 -5.741 1.00 5.14 O ATOM 0 H GLU A 76 -1.939 12.015 -1.550 1.00 63.45 H new ATOM 0 HA GLU A 76 -0.970 12.763 -4.051 1.00 62.45 H new ATOM 0 HB2 GLU A 76 -2.981 14.008 -2.113 1.00 74.41 H new ATOM 0 HB3 GLU A 76 -2.730 14.656 -3.722 1.00 74.41 H new ATOM 0 HG2 GLU A 76 -3.568 11.766 -3.241 1.00 51.53 H new ATOM 0 HG3 GLU A 76 -4.729 13.069 -3.404 1.00 51.53 H new ATOM 1213 N ASN A 77 -0.271 14.984 -1.698 1.00 64.21 N ATOM 1214 CA ASN A 77 0.512 16.173 -1.321 1.00 40.22 C ATOM 1215 C ASN A 77 0.640 16.257 0.207 1.00 15.14 C ATOM 1216 O ASN A 77 -0.126 15.608 0.926 1.00 73.21 O ATOM 1217 CB ASN A 77 -0.138 17.467 -1.904 1.00 3.00 C ATOM 1218 CG ASN A 77 -1.633 17.660 -1.570 1.00 43.42 C ATOM 1219 OD1 ASN A 77 -2.136 17.208 -0.539 1.00 50.11 O ATOM 1220 ND2 ASN A 77 -2.357 18.340 -2.452 1.00 73.13 N ATOM 0 H ASN A 77 -0.832 14.613 -0.931 1.00 64.21 H new ATOM 0 HA ASN A 77 1.513 16.085 -1.744 1.00 40.22 H new ATOM 0 HB2 ASN A 77 0.415 18.330 -1.534 1.00 3.00 H new ATOM 0 HB3 ASN A 77 -0.023 17.455 -2.988 1.00 3.00 H new ATOM 0 HD21 ASN A 77 -3.351 18.498 -2.283 1.00 73.13 H new ATOM 0 HD22 ASN A 77 -1.919 18.705 -3.298 1.00 73.13 H new ATOM 1227 N GLU A 78 1.570 17.107 0.687 1.00 23.24 N ATOM 1228 CA GLU A 78 1.913 17.212 2.127 1.00 72.51 C ATOM 1229 C GLU A 78 0.812 17.914 2.955 1.00 3.23 C ATOM 1230 O GLU A 78 0.937 18.028 4.174 1.00 23.41 O ATOM 1231 CB GLU A 78 3.272 17.937 2.303 1.00 31.44 C ATOM 1232 CG GLU A 78 4.426 17.290 1.515 1.00 30.21 C ATOM 1233 CD GLU A 78 5.800 17.900 1.803 1.00 74.15 C ATOM 1234 OE1 GLU A 78 6.091 19.000 1.289 1.00 64.41 O ATOM 1235 OE2 GLU A 78 6.602 17.285 2.542 1.00 33.31 O ATOM 0 H GLU A 78 2.105 17.740 0.093 1.00 23.24 H new ATOM 0 HA GLU A 78 1.993 16.195 2.511 1.00 72.51 H new ATOM 0 HB2 GLU A 78 3.164 18.974 1.986 1.00 31.44 H new ATOM 0 HB3 GLU A 78 3.531 17.953 3.362 1.00 31.44 H new ATOM 0 HG2 GLU A 78 4.458 16.225 1.747 1.00 30.21 H new ATOM 0 HG3 GLU A 78 4.218 17.378 0.449 1.00 30.21 H new ATOM 1242 N GLU A 79 -0.258 18.385 2.277 1.00 51.21 N ATOM 1243 CA GLU A 79 -1.474 18.912 2.939 1.00 51.32 C ATOM 1244 C GLU A 79 -2.176 17.785 3.727 1.00 4.45 C ATOM 1245 O GLU A 79 -2.809 18.024 4.763 1.00 1.15 O ATOM 1246 CB GLU A 79 -2.436 19.514 1.876 1.00 5.34 C ATOM 1247 CG GLU A 79 -1.779 20.499 0.880 1.00 21.03 C ATOM 1248 CD GLU A 79 -1.183 21.758 1.537 1.00 23.55 C ATOM 1249 OE1 GLU A 79 -1.931 22.736 1.757 1.00 32.01 O ATOM 1250 OE2 GLU A 79 0.037 21.777 1.831 1.00 24.24 O ATOM 0 H GLU A 79 -0.304 18.411 1.258 1.00 51.21 H new ATOM 0 HA GLU A 79 -1.190 19.699 3.638 1.00 51.32 H new ATOM 0 HB2 GLU A 79 -2.886 18.697 1.312 1.00 5.34 H new ATOM 0 HB3 GLU A 79 -3.246 20.029 2.392 1.00 5.34 H new ATOM 0 HG2 GLU A 79 -0.990 19.978 0.338 1.00 21.03 H new ATOM 0 HG3 GLU A 79 -2.523 20.804 0.144 1.00 21.03 H new ATOM 1257 N LEU A 80 -2.038 16.556 3.203 1.00 73.03 N ATOM 1258 CA LEU A 80 -2.581 15.337 3.815 1.00 45.42 C ATOM 1259 C LEU A 80 -1.650 14.812 4.912 1.00 62.44 C ATOM 1260 O LEU A 80 -0.423 14.823 4.760 1.00 23.10 O ATOM 1261 CB LEU A 80 -2.769 14.248 2.735 1.00 50.12 C ATOM 1262 CG LEU A 80 -3.720 14.620 1.562 1.00 4.21 C ATOM 1263 CD1 LEU A 80 -3.654 13.559 0.455 1.00 31.23 C ATOM 1264 CD2 LEU A 80 -5.172 14.828 2.055 1.00 62.12 C ATOM 0 H LEU A 80 -1.539 16.381 2.331 1.00 73.03 H new ATOM 0 HA LEU A 80 -3.544 15.581 4.264 1.00 45.42 H new ATOM 0 HB2 LEU A 80 -1.792 14.000 2.321 1.00 50.12 H new ATOM 0 HB3 LEU A 80 -3.150 13.347 3.216 1.00 50.12 H new ATOM 0 HG LEU A 80 -3.382 15.568 1.143 1.00 4.21 H new ATOM 0 HD11 LEU A 80 -4.326 13.838 -0.356 1.00 31.23 H new ATOM 0 HD12 LEU A 80 -2.635 13.493 0.075 1.00 31.23 H new ATOM 0 HD13 LEU A 80 -3.954 12.592 0.859 1.00 31.23 H new ATOM 0 HD21 LEU A 80 -5.810 15.087 1.210 1.00 62.12 H new ATOM 0 HD22 LEU A 80 -5.535 13.909 2.516 1.00 62.12 H new ATOM 0 HD23 LEU A 80 -5.195 15.635 2.788 1.00 62.12 H new ATOM 1276 N ASP A 81 -2.249 14.393 6.022 1.00 2.02 N ATOM 1277 CA ASP A 81 -1.549 13.700 7.120 1.00 34.44 C ATOM 1278 C ASP A 81 -1.870 12.197 7.067 1.00 31.33 C ATOM 1279 O ASP A 81 -3.003 11.823 6.740 1.00 21.11 O ATOM 1280 CB ASP A 81 -1.970 14.310 8.480 1.00 24.14 C ATOM 1281 CG ASP A 81 -1.201 13.715 9.671 1.00 22.44 C ATOM 1282 OD1 ASP A 81 -0.067 14.157 9.946 1.00 1.52 O ATOM 1283 OD2 ASP A 81 -1.718 12.795 10.332 1.00 3.23 O ATOM 0 H ASP A 81 -3.246 14.522 6.195 1.00 2.02 H new ATOM 0 HA ASP A 81 -0.472 13.828 7.008 1.00 34.44 H new ATOM 0 HB2 ASP A 81 -1.810 15.388 8.453 1.00 24.14 H new ATOM 0 HB3 ASP A 81 -3.038 14.150 8.628 1.00 24.14 H new ATOM 1288 N TRP A 82 -0.884 11.353 7.433 1.00 4.20 N ATOM 1289 CA TRP A 82 -0.989 9.882 7.306 1.00 64.51 C ATOM 1290 C TRP A 82 -2.040 9.263 8.241 1.00 32.31 C ATOM 1291 O TRP A 82 -2.648 8.260 7.872 1.00 73.44 O ATOM 1292 CB TRP A 82 0.401 9.185 7.499 1.00 20.04 C ATOM 1293 CG TRP A 82 1.224 9.111 6.233 1.00 2.34 C ATOM 1294 CD1 TRP A 82 2.467 9.634 6.001 1.00 14.14 C ATOM 1295 CD2 TRP A 82 0.830 8.461 5.012 1.00 73.40 C ATOM 1296 NE1 TRP A 82 2.853 9.370 4.709 1.00 1.24 N ATOM 1297 CE2 TRP A 82 1.862 8.648 4.085 1.00 51.35 C ATOM 1298 CE3 TRP A 82 -0.311 7.749 4.615 1.00 54.21 C ATOM 1299 CZ2 TRP A 82 1.796 8.143 2.793 1.00 73.22 C ATOM 1300 CZ3 TRP A 82 -0.372 7.249 3.335 1.00 61.11 C ATOM 1301 CH2 TRP A 82 0.672 7.453 2.434 1.00 50.10 C ATOM 0 H TRP A 82 0.004 11.668 7.823 1.00 4.20 H new ATOM 0 HA TRP A 82 -1.331 9.700 6.287 1.00 64.51 H new ATOM 0 HB2 TRP A 82 0.966 9.725 8.258 1.00 20.04 H new ATOM 0 HB3 TRP A 82 0.242 8.176 7.878 1.00 20.04 H new ATOM 0 HD1 TRP A 82 3.057 10.174 6.726 1.00 14.14 H new ATOM 0 HE1 TRP A 82 3.732 9.662 4.282 1.00 1.24 H new ATOM 0 HE3 TRP A 82 -1.129 7.596 5.303 1.00 54.21 H new ATOM 0 HZ2 TRP A 82 2.606 8.291 2.095 1.00 73.22 H new ATOM 0 HZ3 TRP A 82 -1.242 6.690 3.023 1.00 61.11 H new ATOM 0 HH2 TRP A 82 0.591 7.058 1.432 1.00 50.10 H new ATOM 1312 N ASN A 83 -2.287 9.887 9.413 1.00 33.41 N ATOM 1313 CA ASN A 83 -3.212 9.341 10.453 1.00 44.41 C ATOM 1314 C ASN A 83 -4.653 9.182 9.916 1.00 10.04 C ATOM 1315 O ASN A 83 -5.438 8.403 10.456 1.00 3.44 O ATOM 1316 CB ASN A 83 -3.202 10.224 11.735 1.00 4.24 C ATOM 1317 CG ASN A 83 -1.855 10.223 12.471 1.00 44.11 C ATOM 1318 OD1 ASN A 83 -1.128 9.226 12.486 1.00 61.13 O ATOM 1319 ND2 ASN A 83 -1.496 11.351 13.063 1.00 71.23 N ATOM 0 H ASN A 83 -1.859 10.776 9.672 1.00 33.41 H new ATOM 0 HA ASN A 83 -2.845 8.349 10.715 1.00 44.41 H new ATOM 0 HB2 ASN A 83 -3.457 11.248 11.463 1.00 4.24 H new ATOM 0 HB3 ASN A 83 -3.978 9.872 12.415 1.00 4.24 H new ATOM 0 HD21 ASN A 83 -0.600 11.410 13.546 1.00 71.23 H new ATOM 0 HD22 ASN A 83 -2.116 12.161 13.036 1.00 71.23 H new ATOM 1326 N LEU A 84 -4.976 9.942 8.851 1.00 14.21 N ATOM 1327 CA LEU A 84 -6.275 9.868 8.157 1.00 54.44 C ATOM 1328 C LEU A 84 -6.373 8.566 7.329 1.00 34.41 C ATOM 1329 O LEU A 84 -7.360 7.832 7.416 1.00 2.45 O ATOM 1330 CB LEU A 84 -6.439 11.110 7.236 1.00 1.10 C ATOM 1331 CG LEU A 84 -6.397 12.496 7.956 1.00 53.44 C ATOM 1332 CD1 LEU A 84 -6.452 13.658 6.938 1.00 42.23 C ATOM 1333 CD2 LEU A 84 -7.531 12.614 9.004 1.00 13.10 C ATOM 0 H LEU A 84 -4.339 10.628 8.447 1.00 14.21 H new ATOM 0 HA LEU A 84 -7.076 9.860 8.896 1.00 54.44 H new ATOM 0 HB2 LEU A 84 -5.651 11.088 6.483 1.00 1.10 H new ATOM 0 HB3 LEU A 84 -7.388 11.024 6.707 1.00 1.10 H new ATOM 0 HG LEU A 84 -5.447 12.567 8.485 1.00 53.44 H new ATOM 0 HD11 LEU A 84 -6.421 14.609 7.470 1.00 42.23 H new ATOM 0 HD12 LEU A 84 -5.598 13.591 6.263 1.00 42.23 H new ATOM 0 HD13 LEU A 84 -7.375 13.594 6.362 1.00 42.23 H new ATOM 0 HD21 LEU A 84 -7.478 13.588 9.490 1.00 13.10 H new ATOM 0 HD22 LEU A 84 -8.496 12.508 8.509 1.00 13.10 H new ATOM 0 HD23 LEU A 84 -7.418 11.829 9.752 1.00 13.10 H new ATOM 1345 N LEU A 85 -5.313 8.282 6.552 1.00 40.24 N ATOM 1346 CA LEU A 85 -5.280 7.156 5.597 1.00 42.45 C ATOM 1347 C LEU A 85 -5.041 5.802 6.299 1.00 62.32 C ATOM 1348 O LEU A 85 -5.623 4.801 5.883 1.00 31.11 O ATOM 1349 CB LEU A 85 -4.188 7.382 4.505 1.00 42.01 C ATOM 1350 CG LEU A 85 -4.360 8.636 3.560 1.00 11.41 C ATOM 1351 CD1 LEU A 85 -3.945 9.956 4.244 1.00 1.32 C ATOM 1352 CD2 LEU A 85 -3.601 8.438 2.226 1.00 62.22 C ATOM 0 H LEU A 85 -4.451 8.828 6.567 1.00 40.24 H new ATOM 0 HA LEU A 85 -6.261 7.120 5.123 1.00 42.45 H new ATOM 0 HB2 LEU A 85 -3.223 7.466 5.005 1.00 42.01 H new ATOM 0 HB3 LEU A 85 -4.147 6.491 3.879 1.00 42.01 H new ATOM 0 HG LEU A 85 -5.424 8.718 3.340 1.00 11.41 H new ATOM 0 HD11 LEU A 85 -4.083 10.785 3.550 1.00 1.32 H new ATOM 0 HD12 LEU A 85 -4.561 10.117 5.129 1.00 1.32 H new ATOM 0 HD13 LEU A 85 -2.897 9.900 4.537 1.00 1.32 H new ATOM 0 HD21 LEU A 85 -3.737 9.317 1.596 1.00 62.22 H new ATOM 0 HD22 LEU A 85 -2.539 8.298 2.429 1.00 62.22 H new ATOM 0 HD23 LEU A 85 -3.991 7.559 1.712 1.00 62.22 H new ATOM 1364 N LYS A 86 -4.195 5.800 7.360 1.00 40.42 N ATOM 1365 CA LYS A 86 -3.745 4.570 8.078 1.00 60.14 C ATOM 1366 C LYS A 86 -4.879 3.559 8.415 1.00 51.42 C ATOM 1367 O LYS A 86 -4.756 2.408 8.007 1.00 5.24 O ATOM 1368 CB LYS A 86 -2.984 4.924 9.379 1.00 34.35 C ATOM 1369 CG LYS A 86 -1.612 5.571 9.178 1.00 43.42 C ATOM 1370 CD LYS A 86 -1.002 6.002 10.528 1.00 33.13 C ATOM 1371 CE LYS A 86 0.271 6.826 10.369 1.00 42.00 C ATOM 1372 NZ LYS A 86 0.814 7.260 11.680 1.00 63.31 N ATOM 0 H LYS A 86 -3.800 6.657 7.748 1.00 40.42 H new ATOM 0 HA LYS A 86 -3.082 4.075 7.369 1.00 60.14 H new ATOM 0 HB2 LYS A 86 -3.603 5.599 9.970 1.00 34.35 H new ATOM 0 HB3 LYS A 86 -2.856 4.014 9.965 1.00 34.35 H new ATOM 0 HG2 LYS A 86 -0.944 4.868 8.681 1.00 43.42 H new ATOM 0 HG3 LYS A 86 -1.707 6.438 8.524 1.00 43.42 H new ATOM 0 HD2 LYS A 86 -1.738 6.583 11.084 1.00 33.13 H new ATOM 0 HD3 LYS A 86 -0.782 5.114 11.121 1.00 33.13 H new ATOM 0 HE2 LYS A 86 1.022 6.237 9.842 1.00 42.00 H new ATOM 0 HE3 LYS A 86 0.063 7.702 9.754 1.00 42.00 H new ATOM 0 HZ1 LYS A 86 1.761 7.668 11.546 1.00 63.31 H new ATOM 0 HZ2 LYS A 86 0.185 7.975 12.097 1.00 63.31 H new ATOM 0 HZ3 LYS A 86 0.878 6.441 12.318 1.00 63.31 H new ATOM 1386 N PRO A 87 -6.003 3.948 9.150 1.00 33.14 N ATOM 1387 CA PRO A 87 -7.065 2.979 9.550 1.00 75.12 C ATOM 1388 C PRO A 87 -7.741 2.322 8.332 1.00 51.21 C ATOM 1389 O PRO A 87 -8.138 1.155 8.388 1.00 71.13 O ATOM 1390 CB PRO A 87 -8.071 3.836 10.378 1.00 42.22 C ATOM 1391 CG PRO A 87 -7.290 5.049 10.776 1.00 31.21 C ATOM 1392 CD PRO A 87 -6.356 5.319 9.621 1.00 41.52 C ATOM 0 HA PRO A 87 -6.662 2.143 10.122 1.00 75.12 H new ATOM 0 HB2 PRO A 87 -8.946 4.104 9.786 1.00 42.22 H new ATOM 0 HB3 PRO A 87 -8.432 3.292 11.251 1.00 42.22 H new ATOM 0 HG2 PRO A 87 -7.948 5.899 10.956 1.00 31.21 H new ATOM 0 HG3 PRO A 87 -6.735 4.874 11.698 1.00 31.21 H new ATOM 0 HD2 PRO A 87 -6.840 5.903 8.838 1.00 41.52 H new ATOM 0 HD3 PRO A 87 -5.475 5.877 9.936 1.00 41.52 H new ATOM 1400 N ASP A 88 -7.832 3.097 7.226 1.00 3.35 N ATOM 1401 CA ASP A 88 -8.387 2.619 5.955 1.00 11.05 C ATOM 1402 C ASP A 88 -7.411 1.606 5.313 1.00 53.12 C ATOM 1403 O ASP A 88 -7.836 0.547 4.858 1.00 54.45 O ATOM 1404 CB ASP A 88 -8.648 3.819 5.001 1.00 52.50 C ATOM 1405 CG ASP A 88 -9.654 3.515 3.873 1.00 43.31 C ATOM 1406 OD1 ASP A 88 -9.446 2.563 3.090 1.00 31.54 O ATOM 1407 OD2 ASP A 88 -10.670 4.236 3.765 1.00 63.25 O ATOM 0 H ASP A 88 -7.521 4.068 7.198 1.00 3.35 H new ATOM 0 HA ASP A 88 -9.338 2.119 6.138 1.00 11.05 H new ATOM 0 HB2 ASP A 88 -9.017 4.661 5.586 1.00 52.50 H new ATOM 0 HB3 ASP A 88 -7.702 4.129 4.557 1.00 52.50 H new ATOM 1412 N ILE A 89 -6.099 1.946 5.323 1.00 34.33 N ATOM 1413 CA ILE A 89 -5.025 1.107 4.744 1.00 45.13 C ATOM 1414 C ILE A 89 -4.936 -0.252 5.480 1.00 15.54 C ATOM 1415 O ILE A 89 -4.830 -1.301 4.836 1.00 34.04 O ATOM 1416 CB ILE A 89 -3.622 1.858 4.771 1.00 42.24 C ATOM 1417 CG1 ILE A 89 -3.680 3.139 3.873 1.00 74.30 C ATOM 1418 CG2 ILE A 89 -2.457 0.931 4.326 1.00 15.20 C ATOM 1419 CD1 ILE A 89 -2.422 3.988 3.861 1.00 23.32 C ATOM 0 H ILE A 89 -5.756 2.814 5.735 1.00 34.33 H new ATOM 0 HA ILE A 89 -5.277 0.917 3.701 1.00 45.13 H new ATOM 0 HB ILE A 89 -3.424 2.152 5.802 1.00 42.24 H new ATOM 0 HG12 ILE A 89 -3.901 2.834 2.850 1.00 74.30 H new ATOM 0 HG13 ILE A 89 -4.512 3.759 4.208 1.00 74.30 H new ATOM 0 HG21 ILE A 89 -1.519 1.484 4.359 1.00 15.20 H new ATOM 0 HG22 ILE A 89 -2.397 0.074 4.997 1.00 15.20 H new ATOM 0 HG23 ILE A 89 -2.637 0.583 3.309 1.00 15.20 H new ATOM 0 HD11 ILE A 89 -2.570 4.849 3.209 1.00 23.32 H new ATOM 0 HD12 ILE A 89 -2.206 4.332 4.872 1.00 23.32 H new ATOM 0 HD13 ILE A 89 -1.585 3.394 3.493 1.00 23.32 H new ATOM 1431 N TYR A 90 -5.028 -0.219 6.829 1.00 41.23 N ATOM 1432 CA TYR A 90 -4.978 -1.437 7.668 1.00 53.55 C ATOM 1433 C TYR A 90 -6.190 -2.327 7.378 1.00 74.01 C ATOM 1434 O TYR A 90 -6.040 -3.514 7.106 1.00 4.42 O ATOM 1435 CB TYR A 90 -4.948 -1.101 9.184 1.00 64.54 C ATOM 1436 CG TYR A 90 -3.799 -0.188 9.642 1.00 55.44 C ATOM 1437 CD1 TYR A 90 -2.524 -0.246 9.056 1.00 54.12 C ATOM 1438 CD2 TYR A 90 -4.000 0.747 10.661 1.00 31.52 C ATOM 1439 CE1 TYR A 90 -1.505 0.588 9.484 1.00 14.41 C ATOM 1440 CE2 TYR A 90 -2.984 1.579 11.081 1.00 23.41 C ATOM 1441 CZ TYR A 90 -1.745 1.501 10.488 1.00 60.51 C ATOM 1442 OH TYR A 90 -0.739 2.347 10.897 1.00 21.21 O ATOM 0 H TYR A 90 -5.138 0.644 7.362 1.00 41.23 H new ATOM 0 HA TYR A 90 -4.056 -1.961 7.417 1.00 53.55 H new ATOM 0 HB2 TYR A 90 -5.893 -0.627 9.451 1.00 64.54 H new ATOM 0 HB3 TYR A 90 -4.891 -2.035 9.743 1.00 64.54 H new ATOM 0 HD1 TYR A 90 -2.336 -0.951 8.260 1.00 54.12 H new ATOM 0 HD2 TYR A 90 -4.971 0.819 11.129 1.00 31.52 H new ATOM 0 HE1 TYR A 90 -0.526 0.523 9.033 1.00 14.41 H new ATOM 0 HE2 TYR A 90 -3.160 2.291 11.874 1.00 23.41 H new ATOM 0 HH TYR A 90 -1.072 2.929 11.612 1.00 21.21 H new ATOM 1452 N ALA A 91 -7.385 -1.705 7.422 1.00 41.52 N ATOM 1453 CA ALA A 91 -8.669 -2.380 7.178 1.00 15.31 C ATOM 1454 C ALA A 91 -8.680 -3.080 5.806 1.00 31.03 C ATOM 1455 O ALA A 91 -9.089 -4.229 5.707 1.00 30.52 O ATOM 1456 CB ALA A 91 -9.818 -1.365 7.282 1.00 52.32 C ATOM 0 H ALA A 91 -7.484 -0.711 7.630 1.00 41.52 H new ATOM 0 HA ALA A 91 -8.805 -3.149 7.938 1.00 15.31 H new ATOM 0 HB1 ALA A 91 -10.767 -1.870 7.100 1.00 52.32 H new ATOM 0 HB2 ALA A 91 -9.826 -0.925 8.279 1.00 52.32 H new ATOM 0 HB3 ALA A 91 -9.677 -0.579 6.540 1.00 52.32 H new ATOM 1462 N THR A 92 -8.194 -2.357 4.781 1.00 4.41 N ATOM 1463 CA THR A 92 -8.082 -2.839 3.390 1.00 70.01 C ATOM 1464 C THR A 92 -7.144 -4.069 3.250 1.00 52.11 C ATOM 1465 O THR A 92 -7.552 -5.100 2.695 1.00 25.44 O ATOM 1466 CB THR A 92 -7.599 -1.665 2.471 1.00 0.10 C ATOM 1467 OG1 THR A 92 -8.608 -0.630 2.446 1.00 15.14 O ATOM 1468 CG2 THR A 92 -7.303 -2.110 1.036 1.00 74.14 C ATOM 0 H THR A 92 -7.861 -1.400 4.898 1.00 4.41 H new ATOM 0 HA THR A 92 -9.070 -3.174 3.076 1.00 70.01 H new ATOM 0 HB THR A 92 -6.666 -1.293 2.894 1.00 0.10 H new ATOM 0 HG1 THR A 92 -8.510 -0.059 3.236 1.00 15.14 H new ATOM 0 HG21 THR A 92 -6.973 -1.252 0.450 1.00 74.14 H new ATOM 0 HG22 THR A 92 -6.519 -2.867 1.044 1.00 74.14 H new ATOM 0 HG23 THR A 92 -8.206 -2.528 0.591 1.00 74.14 H new ATOM 1476 N ILE A 93 -5.900 -3.950 3.769 1.00 21.05 N ATOM 1477 CA ILE A 93 -4.871 -5.015 3.643 1.00 52.52 C ATOM 1478 C ILE A 93 -5.283 -6.276 4.436 1.00 21.03 C ATOM 1479 O ILE A 93 -5.232 -7.388 3.906 1.00 41.24 O ATOM 1480 CB ILE A 93 -3.434 -4.522 4.085 1.00 51.03 C ATOM 1481 CG1 ILE A 93 -2.951 -3.331 3.191 1.00 1.30 C ATOM 1482 CG2 ILE A 93 -2.392 -5.679 4.051 1.00 52.13 C ATOM 1483 CD1 ILE A 93 -1.606 -2.738 3.593 1.00 64.30 C ATOM 0 H ILE A 93 -5.582 -3.127 4.280 1.00 21.05 H new ATOM 0 HA ILE A 93 -4.810 -5.271 2.585 1.00 52.52 H new ATOM 0 HB ILE A 93 -3.516 -4.175 5.115 1.00 51.03 H new ATOM 0 HG12 ILE A 93 -2.888 -3.672 2.158 1.00 1.30 H new ATOM 0 HG13 ILE A 93 -3.704 -2.543 3.221 1.00 1.30 H new ATOM 0 HG21 ILE A 93 -1.418 -5.301 4.361 1.00 52.13 H new ATOM 0 HG22 ILE A 93 -2.706 -6.472 4.730 1.00 52.13 H new ATOM 0 HG23 ILE A 93 -2.322 -6.076 3.038 1.00 52.13 H new ATOM 0 HD11 ILE A 93 -1.353 -1.920 2.919 1.00 64.30 H new ATOM 0 HD12 ILE A 93 -1.665 -2.361 4.614 1.00 64.30 H new ATOM 0 HD13 ILE A 93 -0.837 -3.508 3.534 1.00 64.30 H new ATOM 1495 N MET A 94 -5.733 -6.084 5.694 1.00 0.51 N ATOM 1496 CA MET A 94 -6.189 -7.198 6.556 1.00 42.12 C ATOM 1497 C MET A 94 -7.387 -7.933 5.916 1.00 25.24 C ATOM 1498 O MET A 94 -7.413 -9.164 5.892 1.00 10.53 O ATOM 1499 CB MET A 94 -6.560 -6.711 7.986 1.00 23.04 C ATOM 1500 CG MET A 94 -5.391 -6.159 8.810 1.00 11.14 C ATOM 1501 SD MET A 94 -5.860 -5.758 10.513 1.00 22.42 S ATOM 1502 CE MET A 94 -7.190 -4.564 10.288 1.00 15.21 C ATOM 0 H MET A 94 -5.791 -5.167 6.137 1.00 0.51 H new ATOM 0 HA MET A 94 -5.355 -7.894 6.647 1.00 42.12 H new ATOM 0 HB2 MET A 94 -7.323 -5.937 7.903 1.00 23.04 H new ATOM 0 HB3 MET A 94 -7.008 -7.542 8.531 1.00 23.04 H new ATOM 0 HG2 MET A 94 -4.584 -6.892 8.823 1.00 11.14 H new ATOM 0 HG3 MET A 94 -5.001 -5.264 8.325 1.00 11.14 H new ATOM 0 HE1 MET A 94 -7.075 -3.752 11.006 1.00 15.21 H new ATOM 0 HE2 MET A 94 -7.151 -4.162 9.276 1.00 15.21 H new ATOM 0 HE3 MET A 94 -8.150 -5.055 10.446 1.00 15.21 H new ATOM 1512 N ASP A 95 -8.356 -7.150 5.388 1.00 70.02 N ATOM 1513 CA ASP A 95 -9.552 -7.673 4.678 1.00 32.41 C ATOM 1514 C ASP A 95 -9.160 -8.513 3.449 1.00 34.42 C ATOM 1515 O ASP A 95 -9.776 -9.531 3.165 1.00 53.11 O ATOM 1516 CB ASP A 95 -10.469 -6.497 4.242 1.00 20.23 C ATOM 1517 CG ASP A 95 -11.747 -6.942 3.507 1.00 44.13 C ATOM 1518 OD1 ASP A 95 -12.687 -7.435 4.178 1.00 12.40 O ATOM 1519 OD2 ASP A 95 -11.833 -6.794 2.266 1.00 53.10 O ATOM 0 H ASP A 95 -8.332 -6.132 5.442 1.00 70.02 H new ATOM 0 HA ASP A 95 -10.092 -8.320 5.369 1.00 32.41 H new ATOM 0 HB2 ASP A 95 -10.750 -5.922 5.124 1.00 20.23 H new ATOM 0 HB3 ASP A 95 -9.903 -5.829 3.593 1.00 20.23 H new ATOM 1524 N PHE A 96 -8.128 -8.041 2.734 1.00 65.12 N ATOM 1525 CA PHE A 96 -7.594 -8.695 1.525 1.00 12.11 C ATOM 1526 C PHE A 96 -7.014 -10.092 1.842 1.00 11.11 C ATOM 1527 O PHE A 96 -7.242 -11.058 1.100 1.00 52.53 O ATOM 1528 CB PHE A 96 -6.521 -7.779 0.899 1.00 72.33 C ATOM 1529 CG PHE A 96 -5.967 -8.263 -0.432 1.00 31.04 C ATOM 1530 CD1 PHE A 96 -6.644 -8.002 -1.618 1.00 11.41 C ATOM 1531 CD2 PHE A 96 -4.765 -8.966 -0.499 1.00 23.44 C ATOM 1532 CE1 PHE A 96 -6.141 -8.425 -2.826 1.00 74.02 C ATOM 1533 CE2 PHE A 96 -4.265 -9.385 -1.708 1.00 24.00 C ATOM 1534 CZ PHE A 96 -4.951 -9.114 -2.871 1.00 34.21 C ATOM 0 H PHE A 96 -7.633 -7.184 2.980 1.00 65.12 H new ATOM 0 HA PHE A 96 -8.406 -8.848 0.815 1.00 12.11 H new ATOM 0 HB2 PHE A 96 -6.948 -6.786 0.759 1.00 72.33 H new ATOM 0 HB3 PHE A 96 -5.696 -7.675 1.604 1.00 72.33 H new ATOM 0 HD1 PHE A 96 -7.578 -7.460 -1.590 1.00 11.41 H new ATOM 0 HD2 PHE A 96 -4.221 -9.183 0.409 1.00 23.44 H new ATOM 0 HE1 PHE A 96 -6.680 -8.217 -3.739 1.00 74.02 H new ATOM 0 HE2 PHE A 96 -3.332 -9.928 -1.746 1.00 24.00 H new ATOM 0 HZ PHE A 96 -4.554 -9.443 -3.820 1.00 34.21 H new ATOM 1544 N PHE A 97 -6.260 -10.175 2.948 1.00 25.44 N ATOM 1545 CA PHE A 97 -5.635 -11.435 3.409 1.00 11.03 C ATOM 1546 C PHE A 97 -6.659 -12.335 4.129 1.00 5.42 C ATOM 1547 O PHE A 97 -6.473 -13.551 4.202 1.00 32.11 O ATOM 1548 CB PHE A 97 -4.399 -11.141 4.301 1.00 12.44 C ATOM 1549 CG PHE A 97 -3.169 -10.654 3.513 1.00 10.31 C ATOM 1550 CD1 PHE A 97 -3.145 -9.397 2.909 1.00 52.43 C ATOM 1551 CD2 PHE A 97 -2.036 -11.458 3.378 1.00 5.32 C ATOM 1552 CE1 PHE A 97 -2.035 -8.959 2.209 1.00 21.44 C ATOM 1553 CE2 PHE A 97 -0.927 -11.017 2.676 1.00 73.01 C ATOM 1554 CZ PHE A 97 -0.928 -9.770 2.093 1.00 72.11 C ATOM 0 H PHE A 97 -6.063 -9.376 3.550 1.00 25.44 H new ATOM 0 HA PHE A 97 -5.287 -11.983 2.533 1.00 11.03 H new ATOM 0 HB2 PHE A 97 -4.667 -10.387 5.041 1.00 12.44 H new ATOM 0 HB3 PHE A 97 -4.134 -12.045 4.849 1.00 12.44 H new ATOM 0 HD1 PHE A 97 -4.009 -8.754 2.989 1.00 52.43 H new ATOM 0 HD2 PHE A 97 -2.024 -12.440 3.828 1.00 5.32 H new ATOM 0 HE1 PHE A 97 -2.037 -7.980 1.753 1.00 21.44 H new ATOM 0 HE2 PHE A 97 -0.059 -11.653 2.586 1.00 73.01 H new ATOM 0 HZ PHE A 97 -0.062 -9.428 1.546 1.00 72.11 H new ATOM 1564 N ALA A 98 -7.729 -11.729 4.666 1.00 74.12 N ATOM 1565 CA ALA A 98 -8.881 -12.470 5.223 1.00 73.03 C ATOM 1566 C ALA A 98 -9.745 -13.057 4.095 1.00 71.34 C ATOM 1567 O ALA A 98 -10.341 -14.127 4.245 1.00 65.50 O ATOM 1568 CB ALA A 98 -9.716 -11.554 6.130 1.00 44.04 C ATOM 0 H ALA A 98 -7.824 -10.715 4.728 1.00 74.12 H new ATOM 0 HA ALA A 98 -8.503 -13.297 5.824 1.00 73.03 H new ATOM 0 HB1 ALA A 98 -10.561 -12.113 6.533 1.00 44.04 H new ATOM 0 HB2 ALA A 98 -9.096 -11.191 6.950 1.00 44.04 H new ATOM 0 HB3 ALA A 98 -10.084 -10.707 5.551 1.00 44.04 H new ATOM 1574 N SER A 99 -9.792 -12.329 2.969 1.00 32.41 N ATOM 1575 CA SER A 99 -10.510 -12.748 1.755 1.00 53.20 C ATOM 1576 C SER A 99 -9.741 -13.871 1.042 1.00 62.40 C ATOM 1577 O SER A 99 -10.340 -14.788 0.472 1.00 33.31 O ATOM 1578 CB SER A 99 -10.683 -11.533 0.816 1.00 54.24 C ATOM 1579 OG SER A 99 -11.419 -11.865 -0.342 1.00 24.55 O ATOM 0 H SER A 99 -9.329 -11.425 2.874 1.00 32.41 H new ATOM 0 HA SER A 99 -11.493 -13.129 2.032 1.00 53.20 H new ATOM 0 HB2 SER A 99 -11.190 -10.730 1.351 1.00 54.24 H new ATOM 0 HB3 SER A 99 -9.702 -11.154 0.527 1.00 54.24 H new ATOM 0 HG SER A 99 -11.647 -11.047 -0.831 1.00 24.55 H new ATOM 1585 N GLY A 100 -8.398 -13.779 1.098 1.00 0.33 N ATOM 1586 CA GLY A 100 -7.520 -14.751 0.456 1.00 71.01 C ATOM 1587 C GLY A 100 -7.382 -14.536 -1.048 1.00 74.25 C ATOM 1588 O GLY A 100 -7.096 -15.486 -1.786 1.00 71.34 O ATOM 0 H GLY A 100 -7.904 -13.033 1.587 1.00 0.33 H new ATOM 0 HA2 GLY A 100 -6.533 -14.699 0.916 1.00 71.01 H new ATOM 0 HA3 GLY A 100 -7.904 -15.754 0.639 1.00 71.01 H new ATOM 1592 N LEU A 101 -7.586 -13.279 -1.495 1.00 13.23 N ATOM 1593 CA LEU A 101 -7.390 -12.881 -2.906 1.00 73.20 C ATOM 1594 C LEU A 101 -5.885 -12.960 -3.276 1.00 15.14 C ATOM 1595 O LEU A 101 -5.034 -12.766 -2.396 1.00 62.15 O ATOM 1596 CB LEU A 101 -7.913 -11.433 -3.146 1.00 11.01 C ATOM 1597 CG LEU A 101 -9.438 -11.180 -2.940 1.00 23.10 C ATOM 1598 CD1 LEU A 101 -9.798 -9.705 -3.239 1.00 2.04 C ATOM 1599 CD2 LEU A 101 -10.294 -12.145 -3.792 1.00 55.13 C ATOM 0 H LEU A 101 -7.890 -12.515 -0.892 1.00 13.23 H new ATOM 0 HA LEU A 101 -7.955 -13.567 -3.538 1.00 73.20 H new ATOM 0 HB2 LEU A 101 -7.367 -10.763 -2.482 1.00 11.01 H new ATOM 0 HB3 LEU A 101 -7.659 -11.147 -4.167 1.00 11.01 H new ATOM 0 HG LEU A 101 -9.667 -11.379 -1.893 1.00 23.10 H new ATOM 0 HD11 LEU A 101 -10.867 -9.554 -3.088 1.00 2.04 H new ATOM 0 HD12 LEU A 101 -9.241 -9.051 -2.568 1.00 2.04 H new ATOM 0 HD13 LEU A 101 -9.540 -9.470 -4.272 1.00 2.04 H new ATOM 0 HD21 LEU A 101 -11.351 -11.940 -3.623 1.00 55.13 H new ATOM 0 HD22 LEU A 101 -10.061 -12.003 -4.847 1.00 55.13 H new ATOM 0 HD23 LEU A 101 -10.074 -13.174 -3.507 1.00 55.13 H new ATOM 1611 N PRO A 102 -5.527 -13.257 -4.572 1.00 75.31 N ATOM 1612 CA PRO A 102 -4.111 -13.264 -5.018 1.00 52.11 C ATOM 1613 C PRO A 102 -3.491 -11.857 -4.876 1.00 22.43 C ATOM 1614 O PRO A 102 -4.035 -10.889 -5.417 1.00 33.41 O ATOM 1615 CB PRO A 102 -4.192 -13.718 -6.505 1.00 32.41 C ATOM 1616 CG PRO A 102 -5.600 -13.414 -6.928 1.00 0.30 C ATOM 1617 CD PRO A 102 -6.453 -13.617 -5.691 1.00 12.44 C ATOM 0 HA PRO A 102 -3.475 -13.921 -4.425 1.00 52.11 H new ATOM 0 HB2 PRO A 102 -3.470 -13.182 -7.121 1.00 32.41 H new ATOM 0 HB3 PRO A 102 -3.970 -14.780 -6.606 1.00 32.41 H new ATOM 0 HG2 PRO A 102 -5.685 -12.393 -7.299 1.00 0.30 H new ATOM 0 HG3 PRO A 102 -5.917 -14.074 -7.735 1.00 0.30 H new ATOM 0 HD2 PRO A 102 -7.337 -12.979 -5.703 1.00 12.44 H new ATOM 0 HD3 PRO A 102 -6.803 -14.646 -5.608 1.00 12.44 H new ATOM 1625 N LEU A 103 -2.384 -11.762 -4.106 1.00 41.13 N ATOM 1626 CA LEU A 103 -1.648 -10.503 -3.850 1.00 21.02 C ATOM 1627 C LEU A 103 -1.281 -9.835 -5.184 1.00 20.51 C ATOM 1628 O LEU A 103 -1.413 -8.621 -5.343 1.00 52.21 O ATOM 1629 CB LEU A 103 -0.393 -10.829 -2.969 1.00 20.35 C ATOM 1630 CG LEU A 103 0.357 -9.648 -2.241 1.00 0.34 C ATOM 1631 CD1 LEU A 103 1.163 -8.749 -3.203 1.00 32.22 C ATOM 1632 CD2 LEU A 103 -0.614 -8.804 -1.389 1.00 12.34 C ATOM 0 H LEU A 103 -1.971 -12.569 -3.638 1.00 41.13 H new ATOM 0 HA LEU A 103 -2.267 -9.792 -3.303 1.00 21.02 H new ATOM 0 HB2 LEU A 103 -0.703 -11.542 -2.205 1.00 20.35 H new ATOM 0 HB3 LEU A 103 0.332 -11.337 -3.604 1.00 20.35 H new ATOM 0 HG LEU A 103 1.082 -10.121 -1.579 1.00 0.34 H new ATOM 0 HD11 LEU A 103 1.653 -7.957 -2.636 1.00 32.22 H new ATOM 0 HD12 LEU A 103 1.916 -9.348 -3.716 1.00 32.22 H new ATOM 0 HD13 LEU A 103 0.490 -8.306 -3.937 1.00 32.22 H new ATOM 0 HD21 LEU A 103 -0.064 -7.999 -0.901 1.00 12.34 H new ATOM 0 HD22 LEU A 103 -1.386 -8.379 -2.031 1.00 12.34 H new ATOM 0 HD23 LEU A 103 -1.078 -9.437 -0.633 1.00 12.34 H new ATOM 1644 N VAL A 104 -0.848 -10.669 -6.132 1.00 3.13 N ATOM 1645 CA VAL A 104 -0.521 -10.269 -7.501 1.00 52.20 C ATOM 1646 C VAL A 104 -1.255 -11.199 -8.481 1.00 23.42 C ATOM 1647 O VAL A 104 -1.193 -12.426 -8.323 1.00 52.24 O ATOM 1648 CB VAL A 104 1.037 -10.347 -7.745 1.00 31.53 C ATOM 1649 CG1 VAL A 104 1.402 -10.053 -9.211 1.00 40.20 C ATOM 1650 CG2 VAL A 104 1.798 -9.394 -6.797 1.00 45.13 C ATOM 0 H VAL A 104 -0.712 -11.666 -5.964 1.00 3.13 H new ATOM 0 HA VAL A 104 -0.839 -9.239 -7.661 1.00 52.20 H new ATOM 0 HB VAL A 104 1.343 -11.370 -7.525 1.00 31.53 H new ATOM 0 HG11 VAL A 104 2.483 -10.117 -9.337 1.00 40.20 H new ATOM 0 HG12 VAL A 104 0.918 -10.783 -9.860 1.00 40.20 H new ATOM 0 HG13 VAL A 104 1.064 -9.051 -9.476 1.00 40.20 H new ATOM 0 HG21 VAL A 104 2.869 -9.469 -6.988 1.00 45.13 H new ATOM 0 HG22 VAL A 104 1.470 -8.369 -6.971 1.00 45.13 H new ATOM 0 HG23 VAL A 104 1.594 -9.670 -5.763 1.00 45.13 H new ATOM 1660 N THR A 105 -1.969 -10.617 -9.464 1.00 63.33 N ATOM 1661 CA THR A 105 -2.572 -11.376 -10.574 1.00 74.11 C ATOM 1662 C THR A 105 -1.492 -11.720 -11.612 1.00 1.32 C ATOM 1663 O THR A 105 -1.253 -12.893 -11.919 1.00 52.20 O ATOM 1664 CB THR A 105 -3.744 -10.583 -11.263 1.00 65.42 C ATOM 1665 OG1 THR A 105 -3.361 -9.211 -11.469 1.00 25.23 O ATOM 1666 CG2 THR A 105 -5.044 -10.648 -10.442 1.00 0.23 C ATOM 0 H THR A 105 -2.143 -9.613 -9.510 1.00 63.33 H new ATOM 0 HA THR A 105 -2.995 -12.291 -10.160 1.00 74.11 H new ATOM 0 HB THR A 105 -3.937 -11.056 -12.226 1.00 65.42 H new ATOM 0 HG1 THR A 105 -4.097 -8.727 -11.899 1.00 25.23 H new ATOM 0 HG21 THR A 105 -5.826 -10.088 -10.954 1.00 0.23 H new ATOM 0 HG22 THR A 105 -5.354 -11.687 -10.333 1.00 0.23 H new ATOM 0 HG23 THR A 105 -4.874 -10.215 -9.456 1.00 0.23 H new