USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 449 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 28 LYS NZ :NH3+ -136:sc= 0.694 (180deg=0) USER MOD Set 1.2: A 35 GLN : amide:sc= 0.398 K(o=1.1,f=-1.7) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -135:sc= -13.7! (180deg=-17.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= 1.1 (180deg=-0.636) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.1) USER MOD Single : A 21 SER OG : rot 150:sc= -0.149 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -6.12! C(o=-6.1!,f=-5.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -5.56! C(o=-5.6!,f=-4.3!) USER MOD Single : A 42 TYR OH : rot -78:sc= 0.441 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 97:sc= -0.176 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -151:sc= 0.156 USER MOD Single : A 62 GLN : amide:sc= -8.59! C(o=-8.6!,f=-3!) USER MOD Single : A 64 SER OG : rot 44:sc= 0.56 USER MOD Single : A 67 ASN : amide:sc= -2.19 K(o=-2.2,f=-1.5!) USER MOD Single : A 70 SER OG : rot -37:sc= 0.0732 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 4.694 10.219 3.783 1.00 1.20 N ATOM 73 CA GLU A 7 4.886 9.535 2.510 1.00 34.41 C ATOM 74 C GLU A 7 5.115 8.041 2.725 1.00 14.44 C ATOM 75 O GLU A 7 6.161 7.629 3.225 1.00 60.34 O ATOM 76 CB GLU A 7 6.070 10.141 1.753 1.00 20.42 C ATOM 77 CG GLU A 7 7.263 10.455 2.639 1.00 64.33 C ATOM 78 CD GLU A 7 8.399 11.109 1.878 1.00 60.32 C ATOM 79 OE1 GLU A 7 8.194 12.220 1.346 1.00 10.14 O ATOM 80 OE2 GLU A 7 9.493 10.510 1.813 1.00 23.42 O ATOM 0 HA GLU A 7 3.981 9.665 1.916 1.00 34.41 H new ATOM 0 HB2 GLU A 7 6.382 9.450 0.970 1.00 20.42 H new ATOM 0 HB3 GLU A 7 5.744 11.056 1.259 1.00 20.42 H new ATOM 0 HG2 GLU A 7 6.947 11.113 3.448 1.00 64.33 H new ATOM 0 HG3 GLU A 7 7.622 9.534 3.099 1.00 64.33 H new ATOM 85 N VAL A 8 4.130 7.235 2.341 1.00 42.42 N ATOM 86 CA VAL A 8 4.223 5.789 2.491 1.00 34.10 C ATOM 87 C VAL A 8 4.769 5.139 1.223 1.00 44.32 C ATOM 88 O VAL A 8 4.363 5.483 0.112 1.00 33.20 O ATOM 89 CB VAL A 8 2.853 5.169 2.823 1.00 12.12 C ATOM 90 CG1 VAL A 8 1.971 5.130 1.585 1.00 23.44 C ATOM 91 CG2 VAL A 8 3.027 3.776 3.408 1.00 62.40 C ATOM 0 H VAL A 8 3.258 7.560 1.923 1.00 42.42 H new ATOM 0 HA VAL A 8 4.908 5.600 3.317 1.00 34.10 H new ATOM 0 HB VAL A 8 2.362 5.793 3.570 1.00 12.12 H new ATOM 0 HG11 VAL A 8 1.007 4.689 1.839 1.00 23.44 H new ATOM 0 HG12 VAL A 8 1.820 6.144 1.214 1.00 23.44 H new ATOM 0 HG13 VAL A 8 2.453 4.530 0.814 1.00 23.44 H new ATOM 0 HG21 VAL A 8 2.049 3.353 3.637 1.00 62.40 H new ATOM 0 HG22 VAL A 8 3.538 3.139 2.686 1.00 62.40 H new ATOM 0 HG23 VAL A 8 3.619 3.836 4.321 1.00 62.40 H new ATOM 101 N THR A 9 5.692 4.198 1.397 1.00 61.04 N ATOM 102 CA THR A 9 6.294 3.501 0.268 1.00 51.03 C ATOM 103 C THR A 9 6.182 1.990 0.432 1.00 64.44 C ATOM 104 O THR A 9 6.076 1.483 1.549 1.00 71.20 O ATOM 105 CB THR A 9 7.778 3.879 0.100 1.00 61.55 C ATOM 106 OG1 THR A 9 8.531 3.421 1.229 1.00 21.21 O ATOM 107 CG2 THR A 9 7.939 5.384 -0.046 1.00 22.01 C ATOM 0 H THR A 9 6.039 3.901 2.309 1.00 61.04 H new ATOM 0 HA THR A 9 5.745 3.809 -0.622 1.00 51.03 H new ATOM 0 HB THR A 9 8.152 3.400 -0.805 1.00 61.55 H new ATOM 0 HG1 THR A 9 9.473 3.664 1.114 1.00 21.21 H new ATOM 0 HG21 THR A 9 8.995 5.627 -0.163 1.00 22.01 H new ATOM 0 HG22 THR A 9 7.388 5.725 -0.923 1.00 22.01 H new ATOM 0 HG23 THR A 9 7.549 5.880 0.843 1.00 22.01 H new ATOM 115 N MET A 10 6.206 1.273 -0.687 1.00 15.34 N ATOM 116 CA MET A 10 6.109 -0.181 -0.666 1.00 74.25 C ATOM 117 C MET A 10 7.352 -0.818 -1.282 1.00 63.25 C ATOM 118 O MET A 10 7.676 -0.574 -2.444 1.00 2.52 O ATOM 119 CB MET A 10 4.860 -0.642 -1.419 1.00 65.13 C ATOM 120 CG MET A 10 3.630 0.203 -1.127 1.00 30.41 C ATOM 121 SD MET A 10 3.426 0.552 0.629 1.00 54.42 S ATOM 122 CE MET A 10 2.834 2.241 0.573 1.00 50.20 C ATOM 0 H MET A 10 6.292 1.676 -1.620 1.00 15.34 H new ATOM 0 HA MET A 10 6.036 -0.500 0.374 1.00 74.25 H new ATOM 0 HB2 MET A 10 5.062 -0.618 -2.490 1.00 65.13 H new ATOM 0 HB3 MET A 10 4.649 -1.679 -1.157 1.00 65.13 H new ATOM 0 HG2 MET A 10 3.702 1.143 -1.674 1.00 30.41 H new ATOM 0 HG3 MET A 10 2.744 -0.313 -1.496 1.00 30.41 H new ATOM 0 HE1 MET A 10 3.361 2.836 1.319 1.00 50.20 H new ATOM 0 HE2 MET A 10 3.015 2.657 -0.418 1.00 50.20 H new ATOM 0 HE3 MET A 10 1.765 2.259 0.784 1.00 50.20 H new ATOM 130 N LYS A 11 8.044 -1.635 -0.495 1.00 20.43 N ATOM 131 CA LYS A 11 9.249 -2.309 -0.963 1.00 13.34 C ATOM 132 C LYS A 11 8.934 -3.724 -1.434 1.00 34.45 C ATOM 133 O LYS A 11 8.227 -4.472 -0.759 1.00 21.23 O ATOM 134 CB LYS A 11 10.298 -2.352 0.151 1.00 13.45 C ATOM 135 CG LYS A 11 11.725 -2.463 -0.361 1.00 44.12 C ATOM 136 CD LYS A 11 12.327 -1.095 -0.634 1.00 74.14 C ATOM 137 CE LYS A 11 13.689 -0.945 0.025 1.00 53.41 C ATOM 138 NZ LYS A 11 14.023 0.482 0.290 1.00 74.32 N ATOM 0 H LYS A 11 7.791 -1.846 0.470 1.00 20.43 H new ATOM 0 HA LYS A 11 9.646 -1.745 -1.807 1.00 13.34 H new ATOM 0 HB2 LYS A 11 10.208 -1.451 0.759 1.00 13.45 H new ATOM 0 HB3 LYS A 11 10.088 -3.199 0.804 1.00 13.45 H new ATOM 0 HG2 LYS A 11 12.336 -2.991 0.372 1.00 44.12 H new ATOM 0 HG3 LYS A 11 11.740 -3.057 -1.275 1.00 44.12 H new ATOM 0 HD2 LYS A 11 12.424 -0.947 -1.710 1.00 74.14 H new ATOM 0 HD3 LYS A 11 11.655 -0.320 -0.264 1.00 74.14 H new ATOM 0 HE2 LYS A 11 13.702 -1.501 0.962 1.00 53.41 H new ATOM 0 HE3 LYS A 11 14.453 -1.384 -0.617 1.00 53.41 H new ATOM 0 HZ1 LYS A 11 14.959 0.542 0.740 1.00 74.32 H new ATOM 0 HZ2 LYS A 11 14.036 1.008 -0.607 1.00 74.32 H new ATOM 0 HZ3 LYS A 11 13.308 0.894 0.923 1.00 74.32 H new ATOM 148 N LYS A 12 9.466 -4.088 -2.597 1.00 22.02 N ATOM 149 CA LYS A 12 9.244 -5.416 -3.158 1.00 15.42 C ATOM 150 C LYS A 12 9.670 -6.500 -2.174 1.00 75.13 C ATOM 151 O LYS A 12 10.856 -6.664 -1.891 1.00 63.22 O ATOM 152 CB LYS A 12 10.015 -5.572 -4.471 1.00 44.22 C ATOM 153 CG LYS A 12 9.477 -6.677 -5.364 1.00 1.11 C ATOM 154 CD LYS A 12 9.575 -6.304 -6.833 1.00 11.33 C ATOM 155 CE LYS A 12 9.658 -7.538 -7.718 1.00 64.31 C ATOM 156 NZ LYS A 12 8.395 -8.328 -7.687 1.00 22.21 N ATOM 0 H LYS A 12 10.054 -3.482 -3.169 1.00 22.02 H new ATOM 0 HA LYS A 12 8.178 -5.527 -3.354 1.00 15.42 H new ATOM 0 HB2 LYS A 12 9.983 -4.628 -5.016 1.00 44.22 H new ATOM 0 HB3 LYS A 12 11.062 -5.775 -4.246 1.00 44.22 H new ATOM 0 HG2 LYS A 12 10.034 -7.596 -5.183 1.00 1.11 H new ATOM 0 HG3 LYS A 12 8.437 -6.879 -5.108 1.00 1.11 H new ATOM 0 HD2 LYS A 12 8.707 -5.709 -7.117 1.00 11.33 H new ATOM 0 HD3 LYS A 12 10.455 -5.681 -6.993 1.00 11.33 H new ATOM 0 HE2 LYS A 12 9.873 -7.236 -8.743 1.00 64.31 H new ATOM 0 HE3 LYS A 12 10.487 -8.165 -7.390 1.00 64.31 H new ATOM 0 HZ1 LYS A 12 8.293 -8.854 -8.578 1.00 22.21 H new ATOM 0 HZ2 LYS A 12 8.423 -8.997 -6.891 1.00 22.21 H new ATOM 0 HZ3 LYS A 12 7.586 -7.685 -7.570 1.00 22.21 H new ATOM 166 N GLY A 13 8.694 -7.240 -1.656 1.00 20.33 N ATOM 167 CA GLY A 13 8.989 -8.301 -0.711 1.00 10.31 C ATOM 168 C GLY A 13 8.908 -7.834 0.729 1.00 61.22 C ATOM 169 O GLY A 13 9.634 -8.328 1.591 1.00 72.33 O ATOM 0 H GLY A 13 7.704 -7.123 -1.874 1.00 20.33 H new ATOM 0 HA2 GLY A 13 8.290 -9.123 -0.863 1.00 10.31 H new ATOM 0 HA3 GLY A 13 9.988 -8.691 -0.908 1.00 10.31 H new ATOM 173 N ASP A 14 8.024 -6.878 0.989 1.00 43.41 N ATOM 174 CA ASP A 14 7.851 -6.342 2.335 1.00 12.42 C ATOM 175 C ASP A 14 6.392 -6.432 2.772 1.00 13.22 C ATOM 176 O ASP A 14 5.480 -6.216 1.974 1.00 34.12 O ATOM 177 CB ASP A 14 8.325 -4.890 2.394 1.00 14.53 C ATOM 178 CG ASP A 14 8.985 -4.548 3.716 1.00 33.43 C ATOM 179 OD1 ASP A 14 8.254 -4.344 4.709 1.00 14.33 O ATOM 180 OD2 ASP A 14 10.231 -4.488 3.758 1.00 2.53 O ATOM 0 H ASP A 14 7.416 -6.458 0.286 1.00 43.41 H new ATOM 0 HA ASP A 14 8.454 -6.940 3.018 1.00 12.42 H new ATOM 0 HB2 ASP A 14 9.029 -4.708 1.582 1.00 14.53 H new ATOM 0 HB3 ASP A 14 7.475 -4.227 2.234 1.00 14.53 H new ATOM 184 N ILE A 15 6.180 -6.753 4.044 1.00 31.31 N ATOM 185 CA ILE A 15 4.832 -6.871 4.586 1.00 70.41 C ATOM 186 C ILE A 15 4.348 -5.541 5.153 1.00 14.11 C ATOM 187 O ILE A 15 4.940 -5.000 6.088 1.00 33.23 O ATOM 188 CB ILE A 15 4.762 -7.943 5.691 1.00 24.14 C ATOM 189 CG1 ILE A 15 5.321 -9.272 5.179 1.00 51.10 C ATOM 190 CG2 ILE A 15 3.329 -8.115 6.172 1.00 32.13 C ATOM 191 CD1 ILE A 15 5.815 -10.183 6.280 1.00 74.01 C ATOM 0 H ILE A 15 6.924 -6.936 4.718 1.00 31.31 H new ATOM 0 HA ILE A 15 4.185 -7.168 3.760 1.00 70.41 H new ATOM 0 HB ILE A 15 5.371 -7.615 6.534 1.00 24.14 H new ATOM 0 HG12 ILE A 15 4.547 -9.788 4.611 1.00 51.10 H new ATOM 0 HG13 ILE A 15 6.141 -9.071 4.490 1.00 51.10 H new ATOM 0 HG21 ILE A 15 3.296 -8.875 6.952 1.00 32.13 H new ATOM 0 HG22 ILE A 15 2.963 -7.169 6.571 1.00 32.13 H new ATOM 0 HG23 ILE A 15 2.700 -8.424 5.337 1.00 32.13 H new ATOM 0 HD11 ILE A 15 6.197 -11.106 5.844 1.00 74.01 H new ATOM 0 HD12 ILE A 15 6.612 -9.686 6.833 1.00 74.01 H new ATOM 0 HD13 ILE A 15 4.993 -10.415 6.957 1.00 74.01 H new ATOM 202 N LEU A 16 3.268 -5.019 4.582 1.00 51.34 N ATOM 203 CA LEU A 16 2.703 -3.751 5.032 1.00 21.04 C ATOM 204 C LEU A 16 1.281 -3.943 5.548 1.00 0.34 C ATOM 205 O LEU A 16 0.430 -4.512 4.863 1.00 73.41 O ATOM 206 CB LEU A 16 2.711 -2.734 3.889 1.00 64.20 C ATOM 207 CG LEU A 16 3.829 -2.891 2.858 1.00 4.50 C ATOM 208 CD1 LEU A 16 3.286 -3.485 1.568 1.00 12.23 C ATOM 209 CD2 LEU A 16 4.499 -1.551 2.589 1.00 45.31 C ATOM 0 H LEU A 16 2.766 -5.453 3.807 1.00 51.34 H new ATOM 0 HA LEU A 16 3.319 -3.375 5.849 1.00 21.04 H new ATOM 0 HB2 LEU A 16 1.754 -2.794 3.370 1.00 64.20 H new ATOM 0 HB3 LEU A 16 2.779 -1.735 4.319 1.00 64.20 H new ATOM 0 HG LEU A 16 4.576 -3.574 3.262 1.00 4.50 H new ATOM 0 HD11 LEU A 16 4.096 -3.589 0.846 1.00 12.23 H new ATOM 0 HD12 LEU A 16 2.854 -4.464 1.772 1.00 12.23 H new ATOM 0 HD13 LEU A 16 2.518 -2.828 1.160 1.00 12.23 H new ATOM 0 HD21 LEU A 16 5.292 -1.682 1.853 1.00 45.31 H new ATOM 0 HD22 LEU A 16 3.761 -0.846 2.206 1.00 45.31 H new ATOM 0 HD23 LEU A 16 4.924 -1.164 3.515 1.00 45.31 H new ATOM 220 N THR A 17 1.027 -3.459 6.761 1.00 20.24 N ATOM 221 CA THR A 17 -0.293 -3.575 7.369 1.00 34.22 C ATOM 222 C THR A 17 -1.393 -3.301 6.351 1.00 3.14 C ATOM 223 O THR A 17 -1.412 -2.249 5.709 1.00 62.21 O ATOM 224 CB THR A 17 -0.452 -2.606 8.555 1.00 1.33 C ATOM 225 OG1 THR A 17 0.481 -2.938 9.588 1.00 71.22 O ATOM 226 CG2 THR A 17 -1.867 -2.654 9.107 1.00 65.22 C ATOM 0 H THR A 17 1.718 -2.983 7.341 1.00 20.24 H new ATOM 0 HA THR A 17 -0.385 -4.599 7.732 1.00 34.22 H new ATOM 0 HB THR A 17 -0.253 -1.595 8.199 1.00 1.33 H new ATOM 0 HG1 THR A 17 0.374 -2.316 10.338 1.00 71.22 H new ATOM 0 HG21 THR A 17 -1.955 -1.961 9.944 1.00 65.22 H new ATOM 0 HG22 THR A 17 -2.572 -2.370 8.326 1.00 65.22 H new ATOM 0 HG23 THR A 17 -2.090 -3.665 9.448 1.00 65.22 H new ATOM 234 N LEU A 18 -2.310 -4.251 6.207 1.00 34.12 N ATOM 235 CA LEU A 18 -3.417 -4.111 5.266 1.00 74.51 C ATOM 236 C LEU A 18 -4.387 -3.028 5.725 1.00 61.11 C ATOM 237 O LEU A 18 -5.513 -3.319 6.130 1.00 24.03 O ATOM 238 CB LEU A 18 -4.154 -5.442 5.114 1.00 65.24 C ATOM 239 CG LEU A 18 -5.088 -5.558 3.910 1.00 34.31 C ATOM 240 CD1 LEU A 18 -6.521 -5.246 4.311 1.00 42.32 C ATOM 241 CD2 LEU A 18 -4.632 -4.634 2.790 1.00 21.11 C ATOM 0 H LEU A 18 -2.309 -5.127 6.730 1.00 34.12 H new ATOM 0 HA LEU A 18 -3.006 -3.819 4.300 1.00 74.51 H new ATOM 0 HB2 LEU A 18 -3.413 -6.239 5.052 1.00 65.24 H new ATOM 0 HB3 LEU A 18 -4.736 -5.617 6.019 1.00 65.24 H new ATOM 0 HG LEU A 18 -5.051 -6.584 3.545 1.00 34.31 H new ATOM 0 HD11 LEU A 18 -7.170 -5.334 3.440 1.00 42.32 H new ATOM 0 HD12 LEU A 18 -6.846 -5.949 5.078 1.00 42.32 H new ATOM 0 HD13 LEU A 18 -6.576 -4.231 4.703 1.00 42.32 H new ATOM 0 HD21 LEU A 18 -5.309 -4.730 1.941 1.00 21.11 H new ATOM 0 HD22 LEU A 18 -4.638 -3.603 3.144 1.00 21.11 H new ATOM 0 HD23 LEU A 18 -3.623 -4.906 2.482 1.00 21.11 H new ATOM 252 N LEU A 19 -3.945 -1.777 5.656 1.00 54.14 N ATOM 253 CA LEU A 19 -4.776 -0.649 6.062 1.00 52.34 C ATOM 254 C LEU A 19 -6.083 -0.625 5.278 1.00 64.54 C ATOM 255 O LEU A 19 -6.355 -1.520 4.479 1.00 3.13 O ATOM 256 CB LEU A 19 -4.021 0.666 5.856 1.00 15.10 C ATOM 257 CG LEU A 19 -3.251 1.195 7.066 1.00 13.42 C ATOM 258 CD1 LEU A 19 -2.400 0.095 7.681 1.00 31.25 C ATOM 259 CD2 LEU A 19 -2.386 2.383 6.671 1.00 34.13 C ATOM 0 H LEU A 19 -3.016 -1.518 5.323 1.00 54.14 H new ATOM 0 HA LEU A 19 -5.011 -0.765 7.120 1.00 52.34 H new ATOM 0 HB2 LEU A 19 -3.318 0.533 5.033 1.00 15.10 H new ATOM 0 HB3 LEU A 19 -4.736 1.427 5.545 1.00 15.10 H new ATOM 0 HG LEU A 19 -3.972 1.528 7.813 1.00 13.42 H new ATOM 0 HD11 LEU A 19 -1.860 0.491 8.541 1.00 31.25 H new ATOM 0 HD12 LEU A 19 -3.042 -0.725 8.002 1.00 31.25 H new ATOM 0 HD13 LEU A 19 -1.688 -0.270 6.941 1.00 31.25 H new ATOM 0 HD21 LEU A 19 -1.845 2.746 7.545 1.00 34.13 H new ATOM 0 HD22 LEU A 19 -1.673 2.076 5.905 1.00 34.13 H new ATOM 0 HD23 LEU A 19 -3.019 3.179 6.279 1.00 34.13 H new ATOM 270 N ASN A 20 -6.890 0.405 5.514 1.00 33.03 N ATOM 271 CA ASN A 20 -8.169 0.546 4.828 1.00 23.53 C ATOM 272 C ASN A 20 -8.033 0.205 3.347 1.00 24.43 C ATOM 273 O ASN A 20 -7.566 1.021 2.552 1.00 61.31 O ATOM 274 CB ASN A 20 -8.703 1.970 4.988 1.00 24.11 C ATOM 275 CG ASN A 20 -10.143 1.998 5.463 1.00 45.12 C ATOM 276 OD1 ASN A 20 -10.961 2.767 4.958 1.00 0.42 O ATOM 277 ND2 ASN A 20 -10.461 1.157 6.440 1.00 73.55 N ATOM 0 H ASN A 20 -6.681 1.153 6.175 1.00 33.03 H new ATOM 0 HA ASN A 20 -8.874 -0.152 5.280 1.00 23.53 H new ATOM 0 HB2 ASN A 20 -8.078 2.512 5.698 1.00 24.11 H new ATOM 0 HB3 ASN A 20 -8.628 2.493 4.034 1.00 24.11 H new ATOM 0 HD21 ASN A 20 -11.415 1.131 6.801 1.00 73.55 H new ATOM 0 HD22 ASN A 20 -9.751 0.537 6.830 1.00 73.55 H new ATOM 283 N SER A 21 -8.447 -1.005 2.983 1.00 40.22 N ATOM 284 CA SER A 21 -8.369 -1.455 1.598 1.00 62.02 C ATOM 285 C SER A 21 -9.703 -1.255 0.887 1.00 22.44 C ATOM 286 O SER A 21 -9.963 -1.862 -0.154 1.00 2.41 O ATOM 287 CB SER A 21 -7.963 -2.929 1.542 1.00 22.24 C ATOM 288 OG SER A 21 -8.707 -3.699 2.470 1.00 32.33 O ATOM 0 H SER A 21 -8.840 -1.691 3.628 1.00 40.22 H new ATOM 0 HA SER A 21 -7.613 -0.858 1.088 1.00 62.02 H new ATOM 0 HB2 SER A 21 -8.121 -3.315 0.535 1.00 22.24 H new ATOM 0 HB3 SER A 21 -6.899 -3.025 1.756 1.00 22.24 H new ATOM 0 HG SER A 21 -8.813 -4.611 2.128 1.00 32.33 H new ATOM 293 N THR A 22 -10.548 -0.400 1.455 1.00 22.14 N ATOM 294 CA THR A 22 -11.857 -0.120 0.876 1.00 34.11 C ATOM 295 C THR A 22 -11.750 0.151 -0.621 1.00 70.45 C ATOM 296 O THR A 22 -12.459 -0.455 -1.422 1.00 23.35 O ATOM 297 CB THR A 22 -12.525 1.088 1.559 1.00 34.15 C ATOM 298 OG1 THR A 22 -13.311 1.816 0.607 1.00 71.45 O ATOM 299 CG2 THR A 22 -11.481 2.009 2.172 1.00 21.13 C ATOM 0 H THR A 22 -10.349 0.111 2.315 1.00 22.14 H new ATOM 0 HA THR A 22 -12.471 -1.006 1.038 1.00 34.11 H new ATOM 0 HB THR A 22 -13.171 0.716 2.355 1.00 34.15 H new ATOM 0 HG1 THR A 22 -13.734 2.582 1.049 1.00 71.45 H new ATOM 0 HG21 THR A 22 -11.977 2.855 2.648 1.00 21.13 H new ATOM 0 HG22 THR A 22 -10.904 1.460 2.916 1.00 21.13 H new ATOM 0 HG23 THR A 22 -10.813 2.373 1.391 1.00 21.13 H new ATOM 307 N ASN A 23 -10.857 1.064 -0.990 1.00 21.21 N ATOM 308 CA ASN A 23 -10.658 1.414 -2.392 1.00 53.52 C ATOM 309 C ASN A 23 -10.291 0.182 -3.214 1.00 63.35 C ATOM 310 O ASN A 23 -9.195 -0.362 -3.082 1.00 14.32 O ATOM 311 CB ASN A 23 -9.562 2.473 -2.523 1.00 54.12 C ATOM 312 CG ASN A 23 -10.116 3.839 -2.878 1.00 44.11 C ATOM 313 OD1 ASN A 23 -10.261 4.705 -2.016 1.00 41.43 O ATOM 314 ND2 ASN A 23 -10.432 4.036 -4.153 1.00 53.53 N ATOM 0 H ASN A 23 -10.260 1.574 -0.339 1.00 21.21 H new ATOM 0 HA ASN A 23 -11.594 1.819 -2.776 1.00 53.52 H new ATOM 0 HB2 ASN A 23 -9.012 2.540 -1.585 1.00 54.12 H new ATOM 0 HB3 ASN A 23 -8.851 2.163 -3.288 1.00 54.12 H new ATOM 0 HD21 ASN A 23 -10.812 4.934 -4.451 1.00 53.53 H new ATOM 0 HD22 ASN A 23 -10.295 3.289 -4.834 1.00 53.53 H new ATOM 320 N LYS A 24 -11.217 -0.253 -4.062 1.00 70.43 N ATOM 321 CA LYS A 24 -10.993 -1.420 -4.907 1.00 13.21 C ATOM 322 C LYS A 24 -9.826 -1.184 -5.862 1.00 45.45 C ATOM 323 O LYS A 24 -9.151 -2.126 -6.275 1.00 15.42 O ATOM 324 CB LYS A 24 -12.258 -1.749 -5.703 1.00 0.12 C ATOM 325 CG LYS A 24 -12.849 -3.107 -5.371 1.00 74.23 C ATOM 326 CD LYS A 24 -14.230 -3.280 -5.982 1.00 54.44 C ATOM 327 CE LYS A 24 -15.327 -2.961 -4.978 1.00 75.33 C ATOM 328 NZ LYS A 24 -16.586 -2.537 -5.650 1.00 43.02 N ATOM 0 H LYS A 24 -12.130 0.185 -4.182 1.00 70.43 H new ATOM 0 HA LYS A 24 -10.747 -2.263 -4.262 1.00 13.21 H new ATOM 0 HB2 LYS A 24 -13.007 -0.980 -5.513 1.00 0.12 H new ATOM 0 HB3 LYS A 24 -12.027 -1.713 -6.768 1.00 0.12 H new ATOM 0 HG2 LYS A 24 -12.187 -3.892 -5.737 1.00 74.23 H new ATOM 0 HG3 LYS A 24 -12.912 -3.222 -4.289 1.00 74.23 H new ATOM 0 HD2 LYS A 24 -14.329 -2.629 -6.850 1.00 54.44 H new ATOM 0 HD3 LYS A 24 -14.346 -4.304 -6.337 1.00 54.44 H new ATOM 0 HE2 LYS A 24 -15.522 -3.839 -4.362 1.00 75.33 H new ATOM 0 HE3 LYS A 24 -14.988 -2.170 -4.309 1.00 75.33 H new ATOM 0 HZ1 LYS A 24 -17.309 -2.328 -4.932 1.00 43.02 H new ATOM 0 HZ2 LYS A 24 -16.406 -1.685 -6.218 1.00 43.02 H new ATOM 0 HZ3 LYS A 24 -16.923 -3.301 -6.269 1.00 43.02 H new ATOM 338 N ASP A 25 -9.595 0.078 -6.205 1.00 3.42 N ATOM 339 CA ASP A 25 -8.508 0.438 -7.108 1.00 11.44 C ATOM 340 C ASP A 25 -7.288 0.917 -6.326 1.00 35.34 C ATOM 341 O ASP A 25 -6.259 1.256 -6.911 1.00 73.55 O ATOM 342 CB ASP A 25 -8.964 1.526 -8.082 1.00 64.11 C ATOM 343 CG ASP A 25 -10.258 1.166 -8.787 1.00 50.35 C ATOM 344 OD1 ASP A 25 -10.272 0.161 -9.526 1.00 71.33 O ATOM 345 OD2 ASP A 25 -11.257 1.891 -8.596 1.00 73.21 O ATOM 0 H ASP A 25 -10.146 0.869 -5.872 1.00 3.42 H new ATOM 0 HA ASP A 25 -8.229 -0.451 -7.673 1.00 11.44 H new ATOM 0 HB2 ASP A 25 -9.097 2.462 -7.540 1.00 64.11 H new ATOM 0 HB3 ASP A 25 -8.184 1.695 -8.824 1.00 64.11 H new ATOM 349 N TRP A 26 -7.412 0.944 -5.005 1.00 73.15 N ATOM 350 CA TRP A 26 -6.320 1.382 -4.144 1.00 44.42 C ATOM 351 C TRP A 26 -6.459 0.792 -2.745 1.00 41.02 C ATOM 352 O TRP A 26 -7.477 0.980 -2.081 1.00 62.00 O ATOM 353 CB TRP A 26 -6.287 2.910 -4.066 1.00 72.44 C ATOM 354 CG TRP A 26 -5.864 3.561 -5.347 1.00 74.11 C ATOM 355 CD1 TRP A 26 -6.626 3.740 -6.467 1.00 63.24 C ATOM 356 CD2 TRP A 26 -4.579 4.118 -5.642 1.00 51.43 C ATOM 357 NE1 TRP A 26 -5.893 4.374 -7.439 1.00 13.30 N ATOM 358 CE2 TRP A 26 -4.634 4.619 -6.958 1.00 34.22 C ATOM 359 CE3 TRP A 26 -3.388 4.246 -4.923 1.00 51.23 C ATOM 360 CZ2 TRP A 26 -3.542 5.234 -7.566 1.00 1.13 C ATOM 361 CZ3 TRP A 26 -2.306 4.856 -5.528 1.00 44.01 C ATOM 362 CH2 TRP A 26 -2.389 5.345 -6.838 1.00 23.11 C ATOM 0 H TRP A 26 -8.258 0.668 -4.506 1.00 73.15 H new ATOM 0 HA TRP A 26 -5.385 1.027 -4.576 1.00 44.42 H new ATOM 0 HB2 TRP A 26 -7.277 3.274 -3.791 1.00 72.44 H new ATOM 0 HB3 TRP A 26 -5.605 3.211 -3.271 1.00 72.44 H new ATOM 0 HD1 TRP A 26 -7.655 3.428 -6.572 1.00 63.24 H new ATOM 0 HE1 TRP A 26 -6.231 4.622 -8.369 1.00 13.30 H new ATOM 0 HE3 TRP A 26 -3.314 3.874 -3.912 1.00 51.23 H new ATOM 0 HZ2 TRP A 26 -3.603 5.610 -8.577 1.00 1.13 H new ATOM 0 HZ3 TRP A 26 -1.380 4.958 -4.981 1.00 44.01 H new ATOM 0 HH2 TRP A 26 -1.526 5.819 -7.282 1.00 23.11 H new ATOM 372 N TRP A 27 -5.429 0.078 -2.304 1.00 14.34 N ATOM 373 CA TRP A 27 -5.438 -0.540 -0.983 1.00 11.53 C ATOM 374 C TRP A 27 -4.473 0.173 -0.042 1.00 11.43 C ATOM 375 O TRP A 27 -3.255 0.086 -0.202 1.00 10.30 O ATOM 376 CB TRP A 27 -5.067 -2.020 -1.087 1.00 44.13 C ATOM 377 CG TRP A 27 -6.255 -2.920 -1.242 1.00 42.23 C ATOM 378 CD1 TRP A 27 -7.515 -2.556 -1.624 1.00 20.12 C ATOM 379 CD2 TRP A 27 -6.295 -4.334 -1.016 1.00 2.45 C ATOM 380 NE1 TRP A 27 -8.335 -3.658 -1.650 1.00 25.21 N ATOM 381 CE2 TRP A 27 -7.611 -4.761 -1.282 1.00 1.34 C ATOM 382 CE3 TRP A 27 -5.347 -5.279 -0.618 1.00 60.42 C ATOM 383 CZ2 TRP A 27 -8.000 -6.091 -1.161 1.00 62.45 C ATOM 384 CZ3 TRP A 27 -5.735 -6.600 -0.497 1.00 23.11 C ATOM 385 CH2 TRP A 27 -7.051 -6.997 -0.768 1.00 25.25 C ATOM 0 H TRP A 27 -4.578 -0.087 -2.841 1.00 14.34 H new ATOM 0 HA TRP A 27 -6.445 -0.453 -0.576 1.00 11.53 H new ATOM 0 HB2 TRP A 27 -4.400 -2.161 -1.937 1.00 44.13 H new ATOM 0 HB3 TRP A 27 -4.513 -2.312 -0.195 1.00 44.13 H new ATOM 0 HD1 TRP A 27 -7.821 -1.550 -1.869 1.00 20.12 H new ATOM 0 HE1 TRP A 27 -9.323 -3.655 -1.903 1.00 25.21 H new ATOM 0 HE3 TRP A 27 -4.330 -4.983 -0.409 1.00 60.42 H new ATOM 0 HZ2 TRP A 27 -9.014 -6.398 -1.370 1.00 62.45 H new ATOM 0 HZ3 TRP A 27 -5.011 -7.339 -0.188 1.00 23.11 H new ATOM 0 HH2 TRP A 27 -7.322 -8.037 -0.665 1.00 25.25 H new ATOM 395 N LYS A 28 -5.023 0.881 0.939 1.00 60.55 N ATOM 396 CA LYS A 28 -4.211 1.608 1.908 1.00 33.11 C ATOM 397 C LYS A 28 -3.330 0.653 2.707 1.00 4.05 C ATOM 398 O LYS A 28 -3.785 -0.400 3.154 1.00 5.42 O ATOM 399 CB LYS A 28 -5.107 2.407 2.856 1.00 50.34 C ATOM 400 CG LYS A 28 -4.461 3.681 3.375 1.00 21.12 C ATOM 401 CD LYS A 28 -5.081 4.127 4.687 1.00 63.34 C ATOM 402 CE LYS A 28 -4.581 5.502 5.102 1.00 74.34 C ATOM 403 NZ LYS A 28 -5.212 5.962 6.370 1.00 51.13 N ATOM 0 H LYS A 28 -6.029 0.967 1.084 1.00 60.55 H new ATOM 0 HA LYS A 28 -3.566 2.296 1.361 1.00 33.11 H new ATOM 0 HB2 LYS A 28 -6.032 2.663 2.339 1.00 50.34 H new ATOM 0 HB3 LYS A 28 -5.379 1.777 3.703 1.00 50.34 H new ATOM 0 HG2 LYS A 28 -3.392 3.517 3.514 1.00 21.12 H new ATOM 0 HG3 LYS A 28 -4.569 4.473 2.633 1.00 21.12 H new ATOM 0 HD2 LYS A 28 -6.166 4.148 4.589 1.00 63.34 H new ATOM 0 HD3 LYS A 28 -4.845 3.403 5.467 1.00 63.34 H new ATOM 0 HE2 LYS A 28 -3.498 5.473 5.225 1.00 74.34 H new ATOM 0 HE3 LYS A 28 -4.793 6.220 4.310 1.00 74.34 H new ATOM 0 HZ1 LYS A 28 -5.493 6.959 6.276 1.00 51.13 H new ATOM 0 HZ2 LYS A 28 -6.053 5.383 6.569 1.00 51.13 H new ATOM 0 HZ3 LYS A 28 -4.532 5.866 7.151 1.00 51.13 H new ATOM 413 N VAL A 29 -2.067 1.027 2.882 1.00 64.23 N ATOM 414 CA VAL A 29 -1.123 0.205 3.630 1.00 51.20 C ATOM 415 C VAL A 29 -0.126 1.069 4.393 1.00 40.54 C ATOM 416 O VAL A 29 0.349 2.082 3.883 1.00 13.41 O ATOM 417 CB VAL A 29 -0.352 -0.750 2.699 1.00 51.23 C ATOM 418 CG1 VAL A 29 -1.316 -1.582 1.869 1.00 32.33 C ATOM 419 CG2 VAL A 29 0.599 0.031 1.805 1.00 32.31 C ATOM 0 H VAL A 29 -1.674 1.894 2.516 1.00 64.23 H new ATOM 0 HA VAL A 29 -1.706 -0.382 4.339 1.00 51.20 H new ATOM 0 HB VAL A 29 0.239 -1.430 3.313 1.00 51.23 H new ATOM 0 HG11 VAL A 29 -0.752 -2.250 1.218 1.00 32.33 H new ATOM 0 HG12 VAL A 29 -1.951 -2.171 2.531 1.00 32.33 H new ATOM 0 HG13 VAL A 29 -1.937 -0.922 1.262 1.00 32.33 H new ATOM 0 HG21 VAL A 29 1.136 -0.659 1.154 1.00 32.31 H new ATOM 0 HG22 VAL A 29 0.031 0.736 1.198 1.00 32.31 H new ATOM 0 HG23 VAL A 29 1.313 0.577 2.422 1.00 32.31 H new ATOM 429 N GLU A 30 0.187 0.659 5.619 1.00 4.32 N ATOM 430 CA GLU A 30 1.127 1.398 6.453 1.00 30.00 C ATOM 431 C GLU A 30 2.494 0.719 6.462 1.00 70.24 C ATOM 432 O GLU A 30 2.625 -0.443 6.081 1.00 33.32 O ATOM 433 CB GLU A 30 0.594 1.514 7.883 1.00 31.03 C ATOM 434 CG GLU A 30 1.539 2.234 8.828 1.00 54.34 C ATOM 435 CD GLU A 30 0.895 2.559 10.163 1.00 12.02 C ATOM 436 OE1 GLU A 30 -0.346 2.471 10.259 1.00 23.21 O ATOM 437 OE2 GLU A 30 1.634 2.902 11.109 1.00 65.13 O ATOM 0 H GLU A 30 -0.196 -0.179 6.055 1.00 4.32 H new ATOM 0 HA GLU A 30 1.238 2.398 6.033 1.00 30.00 H new ATOM 0 HB2 GLU A 30 -0.360 2.042 7.865 1.00 31.03 H new ATOM 0 HB3 GLU A 30 0.398 0.514 8.271 1.00 31.03 H new ATOM 0 HG2 GLU A 30 2.421 1.615 8.995 1.00 54.34 H new ATOM 0 HG3 GLU A 30 1.881 3.157 8.360 1.00 54.34 H new ATOM 442 N VAL A 31 3.510 1.455 6.902 1.00 52.25 N ATOM 443 CA VAL A 31 4.867 0.925 6.963 1.00 33.12 C ATOM 444 C VAL A 31 5.387 0.905 8.395 1.00 41.13 C ATOM 445 O VAL A 31 5.851 -0.124 8.885 1.00 30.33 O ATOM 446 CB VAL A 31 5.832 1.751 6.090 1.00 40.30 C ATOM 447 CG1 VAL A 31 6.245 0.962 4.857 1.00 4.12 C ATOM 448 CG2 VAL A 31 5.193 3.075 5.697 1.00 71.51 C ATOM 0 H VAL A 31 3.419 2.419 7.221 1.00 52.25 H new ATOM 0 HA VAL A 31 4.825 -0.095 6.581 1.00 33.12 H new ATOM 0 HB VAL A 31 6.729 1.965 6.672 1.00 40.30 H new ATOM 0 HG11 VAL A 31 6.926 1.561 4.253 1.00 4.12 H new ATOM 0 HG12 VAL A 31 6.745 0.043 5.164 1.00 4.12 H new ATOM 0 HG13 VAL A 31 5.360 0.715 4.270 1.00 4.12 H new ATOM 0 HG21 VAL A 31 5.888 3.646 5.081 1.00 71.51 H new ATOM 0 HG22 VAL A 31 4.280 2.885 5.133 1.00 71.51 H new ATOM 0 HG23 VAL A 31 4.953 3.644 6.595 1.00 71.51 H new ATOM 458 N ASN A 32 5.304 2.051 9.065 1.00 41.23 N ATOM 459 CA ASN A 32 5.766 2.165 10.444 1.00 14.22 C ATOM 460 C ASN A 32 5.229 3.437 11.093 1.00 42.10 C ATOM 461 O ASN A 32 4.933 3.459 12.288 1.00 73.14 O ATOM 462 CB ASN A 32 7.295 2.161 10.493 1.00 43.01 C ATOM 463 CG ASN A 32 7.882 0.819 10.100 1.00 31.13 C ATOM 464 OD1 ASN A 32 8.073 -0.059 10.942 1.00 0.42 O ATOM 465 ND2 ASN A 32 8.172 0.654 8.814 1.00 61.00 N ATOM 0 H ASN A 32 4.922 2.913 8.676 1.00 41.23 H new ATOM 0 HA ASN A 32 5.389 1.307 11.000 1.00 14.22 H new ATOM 0 HB2 ASN A 32 7.679 2.932 9.825 1.00 43.01 H new ATOM 0 HB3 ASN A 32 7.624 2.418 11.500 1.00 43.01 H new ATOM 0 HD21 ASN A 32 8.570 -0.228 8.490 1.00 61.00 H new ATOM 0 HD22 ASN A 32 7.997 1.409 8.151 1.00 61.00 H new ATOM 471 N ASP A 33 5.105 4.494 10.298 1.00 61.41 N ATOM 472 CA ASP A 33 4.602 5.770 10.794 1.00 64.21 C ATOM 473 C ASP A 33 3.745 6.463 9.741 1.00 31.34 C ATOM 474 O ASP A 33 2.763 7.132 10.065 1.00 75.14 O ATOM 475 CB ASP A 33 5.764 6.677 11.202 1.00 41.32 C ATOM 476 CG ASP A 33 5.582 7.264 12.588 1.00 11.11 C ATOM 477 OD1 ASP A 33 5.540 6.483 13.561 1.00 53.10 O ATOM 478 OD2 ASP A 33 5.480 8.504 12.699 1.00 62.50 O ATOM 0 H ASP A 33 5.346 4.493 9.307 1.00 61.41 H new ATOM 0 HA ASP A 33 3.982 5.572 11.668 1.00 64.21 H new ATOM 0 HB2 ASP A 33 6.693 6.108 11.171 1.00 41.32 H new ATOM 0 HB3 ASP A 33 5.861 7.486 10.478 1.00 41.32 H new ATOM 482 N ARG A 34 4.123 6.300 8.477 1.00 32.43 N ATOM 483 CA ARG A 34 3.390 6.912 7.375 1.00 73.41 C ATOM 484 C ARG A 34 2.497 5.888 6.680 1.00 64.43 C ATOM 485 O ARG A 34 2.892 4.740 6.482 1.00 61.40 O ATOM 486 CB ARG A 34 4.363 7.524 6.364 1.00 62.12 C ATOM 487 CG ARG A 34 5.654 8.025 6.990 1.00 42.31 C ATOM 488 CD ARG A 34 6.749 8.191 5.948 1.00 52.23 C ATOM 489 NE ARG A 34 8.066 8.357 6.560 1.00 24.24 N ATOM 490 CZ ARG A 34 9.201 8.352 5.871 1.00 0.52 C ATOM 491 NH1 ARG A 34 9.182 8.192 4.555 1.00 43.11 N ATOM 492 NH2 ARG A 34 10.359 8.510 6.499 1.00 14.44 N ATOM 0 H ARG A 34 4.932 5.749 8.191 1.00 32.43 H new ATOM 0 HA ARG A 34 2.759 7.700 7.786 1.00 73.41 H new ATOM 0 HB2 ARG A 34 4.602 6.779 5.605 1.00 62.12 H new ATOM 0 HB3 ARG A 34 3.871 8.352 5.854 1.00 62.12 H new ATOM 0 HG2 ARG A 34 5.473 8.979 7.485 1.00 42.31 H new ATOM 0 HG3 ARG A 34 5.983 7.325 7.758 1.00 42.31 H new ATOM 0 HD2 ARG A 34 6.761 7.320 5.293 1.00 52.23 H new ATOM 0 HD3 ARG A 34 6.527 9.057 5.324 1.00 52.23 H new ATOM 0 HE ARG A 34 8.116 8.484 7.571 1.00 24.24 H new ATOM 0 HH11 ARG A 34 8.293 8.072 4.069 1.00 43.11 H new ATOM 0 HH12 ARG A 34 10.056 8.189 4.029 1.00 43.11 H new ATOM 0 HH21 ARG A 34 10.377 8.635 7.511 1.00 14.44 H new ATOM 0 HH22 ARG A 34 11.231 8.506 5.970 1.00 14.44 H new ATOM 503 N GLN A 35 1.291 6.314 6.316 1.00 63.51 N ATOM 504 CA GLN A 35 0.342 5.432 5.646 1.00 11.04 C ATOM 505 C GLN A 35 -0.482 6.201 4.617 1.00 12.35 C ATOM 506 O GLN A 35 -0.957 7.304 4.886 1.00 51.32 O ATOM 507 CB GLN A 35 -0.585 4.774 6.668 1.00 60.23 C ATOM 508 CG GLN A 35 -0.577 5.458 8.026 1.00 75.14 C ATOM 509 CD GLN A 35 -1.881 5.280 8.778 1.00 33.24 C ATOM 510 OE1 GLN A 35 -2.960 5.530 8.240 1.00 11.13 O ATOM 511 NE2 GLN A 35 -1.789 4.845 10.029 1.00 22.31 N ATOM 0 H GLN A 35 0.949 7.262 6.473 1.00 63.51 H new ATOM 0 HA GLN A 35 0.908 4.658 5.128 1.00 11.04 H new ATOM 0 HB2 GLN A 35 -1.602 4.774 6.276 1.00 60.23 H new ATOM 0 HB3 GLN A 35 -0.292 3.732 6.794 1.00 60.23 H new ATOM 0 HG2 GLN A 35 0.241 5.058 8.625 1.00 75.14 H new ATOM 0 HG3 GLN A 35 -0.382 6.522 7.891 1.00 75.14 H new ATOM 0 HE21 GLN A 35 -0.874 4.650 10.435 1.00 22.31 H new ATOM 0 HE22 GLN A 35 -2.633 4.706 10.584 1.00 22.31 H new ATOM 518 N GLY A 36 -0.646 5.611 3.437 1.00 21.13 N ATOM 519 CA GLY A 36 -1.411 6.255 2.385 1.00 64.22 C ATOM 520 C GLY A 36 -2.062 5.258 1.447 1.00 74.34 C ATOM 521 O GLY A 36 -1.894 4.048 1.603 1.00 31.44 O ATOM 0 H GLY A 36 -0.263 4.698 3.191 1.00 21.13 H new ATOM 0 HA2 GLY A 36 -2.181 6.884 2.833 1.00 64.22 H new ATOM 0 HA3 GLY A 36 -0.755 6.912 1.814 1.00 64.22 H new ATOM 525 N PHE A 37 -2.807 5.765 0.471 1.00 62.23 N ATOM 526 CA PHE A 37 -3.487 4.909 -0.495 1.00 51.44 C ATOM 527 C PHE A 37 -2.530 4.466 -1.597 1.00 1.42 C ATOM 528 O PHE A 37 -1.909 5.294 -2.266 1.00 23.44 O ATOM 529 CB PHE A 37 -4.682 5.644 -1.106 1.00 51.40 C ATOM 530 CG PHE A 37 -5.839 5.796 -0.161 1.00 42.40 C ATOM 531 CD1 PHE A 37 -6.678 4.726 0.106 1.00 33.31 C ATOM 532 CD2 PHE A 37 -6.088 7.008 0.462 1.00 4.23 C ATOM 533 CE1 PHE A 37 -7.744 4.863 0.973 1.00 44.23 C ATOM 534 CE2 PHE A 37 -7.153 7.152 1.331 1.00 63.14 C ATOM 535 CZ PHE A 37 -7.982 6.077 1.589 1.00 35.30 C ATOM 0 H PHE A 37 -2.956 6.764 0.328 1.00 62.23 H new ATOM 0 HA PHE A 37 -3.844 4.023 0.030 1.00 51.44 H new ATOM 0 HB2 PHE A 37 -4.361 6.632 -1.436 1.00 51.40 H new ATOM 0 HB3 PHE A 37 -5.016 5.105 -1.992 1.00 51.40 H new ATOM 0 HD1 PHE A 37 -6.496 3.774 -0.370 1.00 33.31 H new ATOM 0 HD2 PHE A 37 -5.442 7.851 0.266 1.00 4.23 H new ATOM 0 HE1 PHE A 37 -8.392 4.021 1.170 1.00 44.23 H new ATOM 0 HE2 PHE A 37 -7.337 8.103 1.808 1.00 63.14 H new ATOM 0 HZ PHE A 37 -8.813 6.185 2.270 1.00 35.30 H new ATOM 544 N VAL A 38 -2.414 3.155 -1.781 1.00 10.44 N ATOM 545 CA VAL A 38 -1.533 2.600 -2.802 1.00 43.52 C ATOM 546 C VAL A 38 -2.288 1.643 -3.717 1.00 73.40 C ATOM 547 O VAL A 38 -3.318 1.077 -3.351 1.00 62.35 O ATOM 548 CB VAL A 38 -0.341 1.859 -2.172 1.00 54.14 C ATOM 549 CG1 VAL A 38 0.728 2.846 -1.727 1.00 61.42 C ATOM 550 CG2 VAL A 38 -0.803 1.000 -1.004 1.00 23.15 C ATOM 0 H VAL A 38 -2.920 2.457 -1.236 1.00 10.44 H new ATOM 0 HA VAL A 38 -1.159 3.439 -3.388 1.00 43.52 H new ATOM 0 HB VAL A 38 0.095 1.203 -2.926 1.00 54.14 H new ATOM 0 HG11 VAL A 38 1.563 2.303 -1.284 1.00 61.42 H new ATOM 0 HG12 VAL A 38 1.080 3.414 -2.588 1.00 61.42 H new ATOM 0 HG13 VAL A 38 0.308 3.530 -0.989 1.00 61.42 H new ATOM 0 HG21 VAL A 38 0.054 0.483 -0.571 1.00 23.15 H new ATOM 0 HG22 VAL A 38 -1.265 1.633 -0.247 1.00 23.15 H new ATOM 0 HG23 VAL A 38 -1.529 0.267 -1.356 1.00 23.15 H new ATOM 560 N PRO A 39 -1.764 1.454 -4.937 1.00 2.45 N ATOM 561 CA PRO A 39 -2.371 0.563 -5.931 1.00 43.04 C ATOM 562 C PRO A 39 -2.248 -0.907 -5.544 1.00 51.41 C ATOM 563 O PRO A 39 -1.146 -1.449 -5.474 1.00 20.31 O ATOM 564 CB PRO A 39 -1.570 0.851 -7.202 1.00 33.31 C ATOM 565 CG PRO A 39 -0.253 1.350 -6.715 1.00 30.25 C ATOM 566 CD PRO A 39 -0.539 2.096 -5.441 1.00 12.34 C ATOM 0 HA PRO A 39 -3.441 0.740 -6.037 1.00 43.04 H new ATOM 0 HB2 PRO A 39 -1.453 -0.047 -7.808 1.00 33.31 H new ATOM 0 HB3 PRO A 39 -2.069 1.594 -7.825 1.00 33.31 H new ATOM 0 HG2 PRO A 39 0.436 0.524 -6.538 1.00 30.25 H new ATOM 0 HG3 PRO A 39 0.214 2.002 -7.453 1.00 30.25 H new ATOM 0 HD2 PRO A 39 0.283 2.007 -4.730 1.00 12.34 H new ATOM 0 HD3 PRO A 39 -0.689 3.160 -5.624 1.00 12.34 H new ATOM 571 N ALA A 40 -3.386 -1.545 -5.293 1.00 40.35 N ATOM 572 CA ALA A 40 -3.405 -2.953 -4.915 1.00 41.01 C ATOM 573 C ALA A 40 -2.626 -3.800 -5.915 1.00 74.23 C ATOM 574 O ALA A 40 -2.246 -4.933 -5.620 1.00 23.15 O ATOM 575 CB ALA A 40 -4.838 -3.450 -4.802 1.00 63.02 C ATOM 0 H ALA A 40 -4.307 -1.110 -5.344 1.00 40.35 H new ATOM 0 HA ALA A 40 -2.922 -3.049 -3.943 1.00 41.01 H new ATOM 0 HB1 ALA A 40 -4.837 -4.503 -4.519 1.00 63.02 H new ATOM 0 HB2 ALA A 40 -5.365 -2.871 -4.044 1.00 63.02 H new ATOM 0 HB3 ALA A 40 -5.341 -3.333 -5.762 1.00 63.02 H new ATOM 581 N ALA A 41 -2.391 -3.243 -7.099 1.00 71.20 N ATOM 582 CA ALA A 41 -1.657 -3.948 -8.142 1.00 53.34 C ATOM 583 C ALA A 41 -0.204 -4.173 -7.734 1.00 62.01 C ATOM 584 O ALA A 41 0.434 -5.128 -8.178 1.00 54.31 O ATOM 585 CB ALA A 41 -1.725 -3.175 -9.450 1.00 5.54 C ATOM 0 H ALA A 41 -2.698 -2.306 -7.359 1.00 71.20 H new ATOM 0 HA ALA A 41 -2.123 -4.923 -8.284 1.00 53.34 H new ATOM 0 HB1 ALA A 41 -1.172 -3.713 -10.220 1.00 5.54 H new ATOM 0 HB2 ALA A 41 -2.766 -3.070 -9.757 1.00 5.54 H new ATOM 0 HB3 ALA A 41 -1.286 -2.187 -9.312 1.00 5.54 H new ATOM 591 N TYR A 42 0.311 -3.289 -6.888 1.00 13.50 N ATOM 592 CA TYR A 42 1.689 -3.389 -6.423 1.00 54.13 C ATOM 593 C TYR A 42 1.778 -4.248 -5.165 1.00 15.33 C ATOM 594 O TYR A 42 2.869 -4.604 -4.719 1.00 74.24 O ATOM 595 CB TYR A 42 2.260 -1.997 -6.145 1.00 25.11 C ATOM 596 CG TYR A 42 2.571 -1.209 -7.397 1.00 11.01 C ATOM 597 CD1 TYR A 42 1.644 -1.108 -8.427 1.00 3.52 C ATOM 598 CD2 TYR A 42 3.793 -0.566 -7.551 1.00 41.22 C ATOM 599 CE1 TYR A 42 1.925 -0.390 -9.573 1.00 1.41 C ATOM 600 CE2 TYR A 42 4.083 0.155 -8.693 1.00 44.51 C ATOM 601 CZ TYR A 42 3.146 0.240 -9.701 1.00 14.54 C ATOM 602 OH TYR A 42 3.430 0.958 -10.840 1.00 21.45 O ATOM 0 H TYR A 42 -0.205 -2.495 -6.510 1.00 13.50 H new ATOM 0 HA TYR A 42 2.276 -3.864 -7.209 1.00 54.13 H new ATOM 0 HB2 TYR A 42 1.548 -1.436 -5.540 1.00 25.11 H new ATOM 0 HB3 TYR A 42 3.170 -2.098 -5.554 1.00 25.11 H new ATOM 0 HD1 TYR A 42 0.687 -1.599 -8.330 1.00 3.52 H new ATOM 0 HD2 TYR A 42 4.529 -0.631 -6.764 1.00 41.22 H new ATOM 0 HE1 TYR A 42 1.193 -0.322 -10.364 1.00 1.41 H new ATOM 0 HE2 TYR A 42 5.038 0.649 -8.796 1.00 44.51 H new ATOM 0 HH TYR A 42 3.672 0.342 -11.563 1.00 21.45 H new ATOM 611 N VAL A 43 0.622 -4.577 -4.599 1.00 51.22 N ATOM 612 CA VAL A 43 0.567 -5.395 -3.393 1.00 74.44 C ATOM 613 C VAL A 43 -0.392 -6.567 -3.567 1.00 72.21 C ATOM 614 O VAL A 43 -1.008 -6.729 -4.622 1.00 73.24 O ATOM 615 CB VAL A 43 0.132 -4.566 -2.171 1.00 20.21 C ATOM 616 CG1 VAL A 43 1.199 -3.544 -1.810 1.00 32.40 C ATOM 617 CG2 VAL A 43 -1.202 -3.884 -2.438 1.00 53.41 C ATOM 0 H VAL A 43 -0.289 -4.290 -4.956 1.00 51.22 H new ATOM 0 HA VAL A 43 1.574 -5.776 -3.223 1.00 74.44 H new ATOM 0 HB VAL A 43 0.007 -5.240 -1.323 1.00 20.21 H new ATOM 0 HG11 VAL A 43 0.873 -2.968 -0.944 1.00 32.40 H new ATOM 0 HG12 VAL A 43 2.130 -4.058 -1.574 1.00 32.40 H new ATOM 0 HG13 VAL A 43 1.359 -2.872 -2.653 1.00 32.40 H new ATOM 0 HG21 VAL A 43 -1.495 -3.302 -1.564 1.00 53.41 H new ATOM 0 HG22 VAL A 43 -1.106 -3.222 -3.299 1.00 53.41 H new ATOM 0 HG23 VAL A 43 -1.962 -4.638 -2.643 1.00 53.41 H new ATOM 627 N LYS A 44 -0.517 -7.382 -2.526 1.00 73.40 N ATOM 628 CA LYS A 44 -1.404 -8.539 -2.561 1.00 71.31 C ATOM 629 C LYS A 44 -1.557 -9.149 -1.171 1.00 20.45 C ATOM 630 O LYS A 44 -0.626 -9.132 -0.368 1.00 52.42 O ATOM 631 CB LYS A 44 -0.866 -9.591 -3.535 1.00 2.44 C ATOM 632 CG LYS A 44 -1.703 -10.857 -3.586 1.00 43.30 C ATOM 633 CD LYS A 44 -0.861 -12.093 -3.316 1.00 61.22 C ATOM 634 CE LYS A 44 0.177 -12.310 -4.407 1.00 63.02 C ATOM 635 NZ LYS A 44 -0.280 -13.305 -5.416 1.00 74.53 N ATOM 0 H LYS A 44 -0.015 -7.263 -1.646 1.00 73.40 H new ATOM 0 HA LYS A 44 -2.384 -8.204 -2.902 1.00 71.31 H new ATOM 0 HB2 LYS A 44 -0.817 -9.158 -4.534 1.00 2.44 H new ATOM 0 HB3 LYS A 44 0.153 -9.851 -3.250 1.00 2.44 H new ATOM 0 HG2 LYS A 44 -2.505 -10.794 -2.850 1.00 43.30 H new ATOM 0 HG3 LYS A 44 -2.174 -10.943 -4.565 1.00 43.30 H new ATOM 0 HD2 LYS A 44 -0.362 -11.991 -2.352 1.00 61.22 H new ATOM 0 HD3 LYS A 44 -1.508 -12.968 -3.249 1.00 61.22 H new ATOM 0 HE2 LYS A 44 0.388 -11.362 -4.901 1.00 63.02 H new ATOM 0 HE3 LYS A 44 1.110 -12.650 -3.958 1.00 63.02 H new ATOM 0 HZ1 LYS A 44 0.454 -13.425 -6.142 1.00 74.53 H new ATOM 0 HZ2 LYS A 44 -0.457 -14.217 -4.949 1.00 74.53 H new ATOM 0 HZ3 LYS A 44 -1.157 -12.969 -5.863 1.00 74.53 H new ATOM 645 N LYS A 45 -2.739 -9.691 -0.895 1.00 20.31 N ATOM 646 CA LYS A 45 -3.015 -10.310 0.395 1.00 22.40 C ATOM 647 C LYS A 45 -2.185 -11.576 0.580 1.00 41.14 C ATOM 648 O LYS A 45 -1.864 -12.268 -0.387 1.00 2.24 O ATOM 649 CB LYS A 45 -4.504 -10.642 0.518 1.00 4.21 C ATOM 650 CG LYS A 45 -5.235 -9.789 1.541 1.00 33.51 C ATOM 651 CD LYS A 45 -6.454 -10.507 2.095 1.00 4.43 C ATOM 652 CE LYS A 45 -7.742 -9.966 1.489 1.00 74.53 C ATOM 653 NZ LYS A 45 -8.254 -10.844 0.401 1.00 71.31 N ATOM 0 H LYS A 45 -3.521 -9.714 -1.549 1.00 20.31 H new ATOM 0 HA LYS A 45 -2.742 -9.600 1.175 1.00 22.40 H new ATOM 0 HB2 LYS A 45 -4.978 -10.513 -0.455 1.00 4.21 H new ATOM 0 HB3 LYS A 45 -4.612 -11.692 0.789 1.00 4.21 H new ATOM 0 HG2 LYS A 45 -4.558 -9.537 2.357 1.00 33.51 H new ATOM 0 HG3 LYS A 45 -5.542 -8.850 1.081 1.00 33.51 H new ATOM 0 HD2 LYS A 45 -6.374 -11.574 1.889 1.00 4.43 H new ATOM 0 HD3 LYS A 45 -6.484 -10.393 3.179 1.00 4.43 H new ATOM 0 HE2 LYS A 45 -8.499 -9.874 2.268 1.00 74.53 H new ATOM 0 HE3 LYS A 45 -7.566 -8.965 1.095 1.00 74.53 H new ATOM 0 HZ1 LYS A 45 -9.132 -10.442 0.014 1.00 71.31 H new ATOM 0 HZ2 LYS A 45 -7.542 -10.912 -0.354 1.00 71.31 H new ATOM 0 HZ3 LYS A 45 -8.446 -11.792 0.782 1.00 71.31 H new ATOM 663 N LEU A 46 -1.840 -11.875 1.828 1.00 3.31 N ATOM 664 CA LEU A 46 -1.049 -13.060 2.140 1.00 12.11 C ATOM 665 C LEU A 46 -1.834 -14.023 3.024 1.00 22.43 C ATOM 666 O LEU A 46 -2.978 -13.752 3.391 1.00 51.53 O ATOM 667 CB LEU A 46 0.253 -12.659 2.835 1.00 42.33 C ATOM 668 CG LEU A 46 1.032 -11.511 2.192 1.00 0.23 C ATOM 669 CD1 LEU A 46 2.265 -11.174 3.016 1.00 23.15 C ATOM 670 CD2 LEU A 46 1.423 -11.866 0.764 1.00 43.01 C ATOM 0 H LEU A 46 -2.096 -11.313 2.640 1.00 3.31 H new ATOM 0 HA LEU A 46 -0.814 -13.566 1.204 1.00 12.11 H new ATOM 0 HB2 LEU A 46 0.022 -12.383 3.864 1.00 42.33 H new ATOM 0 HB3 LEU A 46 0.903 -13.533 2.878 1.00 42.33 H new ATOM 0 HG LEU A 46 0.388 -10.632 2.164 1.00 0.23 H new ATOM 0 HD11 LEU A 46 2.806 -10.355 2.543 1.00 23.15 H new ATOM 0 HD12 LEU A 46 1.962 -10.876 4.020 1.00 23.15 H new ATOM 0 HD13 LEU A 46 2.912 -12.049 3.077 1.00 23.15 H new ATOM 0 HD21 LEU A 46 1.977 -11.038 0.322 1.00 43.01 H new ATOM 0 HD22 LEU A 46 2.048 -12.759 0.769 1.00 43.01 H new ATOM 0 HD23 LEU A 46 0.524 -12.056 0.177 1.00 43.01 H new ATOM 681 N ASP A 47 -1.214 -15.147 3.363 1.00 53.23 N ATOM 682 CA ASP A 47 -1.854 -16.149 4.208 1.00 73.12 C ATOM 683 C ASP A 47 -1.336 -16.064 5.640 1.00 74.11 C ATOM 684 O ASP A 47 -0.239 -16.536 5.943 1.00 60.53 O ATOM 685 CB ASP A 47 -1.610 -17.551 3.646 1.00 43.30 C ATOM 686 CG ASP A 47 -2.887 -18.214 3.171 1.00 34.43 C ATOM 687 OD1 ASP A 47 -3.716 -17.523 2.543 1.00 4.31 O ATOM 688 OD2 ASP A 47 -3.059 -19.425 3.427 1.00 11.43 O ATOM 0 H ASP A 47 -0.268 -15.388 3.066 1.00 53.23 H new ATOM 0 HA ASP A 47 -2.926 -15.951 4.217 1.00 73.12 H new ATOM 0 HB2 ASP A 47 -0.906 -17.489 2.816 1.00 43.30 H new ATOM 0 HB3 ASP A 47 -1.146 -18.171 4.413 1.00 43.30 H new ATOM 692 N SER A 48 -2.130 -15.460 6.516 1.00 43.31 N ATOM 693 CA SER A 48 -1.749 -15.308 7.916 1.00 0.33 C ATOM 694 C SER A 48 -2.183 -16.523 8.731 1.00 41.40 C ATOM 695 O SER A 48 -1.351 -17.267 9.248 1.00 71.05 O ATOM 696 CB SER A 48 -2.371 -14.038 8.502 1.00 31.41 C ATOM 697 OG SER A 48 -1.926 -13.818 9.829 1.00 42.11 O ATOM 0 H SER A 48 -3.042 -15.067 6.282 1.00 43.31 H new ATOM 0 HA SER A 48 -0.663 -15.227 7.965 1.00 0.33 H new ATOM 0 HB2 SER A 48 -2.110 -13.181 7.881 1.00 31.41 H new ATOM 0 HB3 SER A 48 -3.458 -14.122 8.489 1.00 31.41 H new ATOM 0 HG SER A 48 -1.180 -13.183 9.823 1.00 42.11 H new ATOM 702 N GLY A 49 -3.493 -16.716 8.841 1.00 63.40 N ATOM 703 CA GLY A 49 -4.017 -17.842 9.595 1.00 34.02 C ATOM 704 C GLY A 49 -4.737 -17.410 10.857 1.00 20.34 C ATOM 705 O GLY A 49 -5.927 -17.679 11.025 1.00 33.43 O ATOM 0 H GLY A 49 -4.202 -16.114 8.422 1.00 63.40 H new ATOM 0 HA2 GLY A 49 -4.702 -18.409 8.965 1.00 34.02 H new ATOM 0 HA3 GLY A 49 -3.198 -18.511 9.859 1.00 34.02 H new ATOM 709 N THR A 50 -4.014 -16.739 11.748 1.00 4.32 N ATOM 710 CA THR A 50 -4.591 -16.272 13.002 1.00 43.52 C ATOM 711 C THR A 50 -5.758 -15.323 12.752 1.00 63.51 C ATOM 712 O THR A 50 -6.726 -15.301 13.511 1.00 44.22 O ATOM 713 CB THR A 50 -3.540 -15.554 13.870 1.00 43.14 C ATOM 714 OG1 THR A 50 -4.170 -14.963 15.013 1.00 71.10 O ATOM 715 CG2 THR A 50 -2.819 -14.480 13.071 1.00 14.03 C ATOM 0 H THR A 50 -3.028 -16.507 11.624 1.00 4.32 H new ATOM 0 HA THR A 50 -4.950 -17.154 13.532 1.00 43.52 H new ATOM 0 HB THR A 50 -2.808 -16.292 14.199 1.00 43.14 H new ATOM 0 HG1 THR A 50 -3.495 -14.510 15.561 1.00 71.10 H new ATOM 0 HG21 THR A 50 -2.082 -13.987 13.706 1.00 14.03 H new ATOM 0 HG22 THR A 50 -2.316 -14.937 12.218 1.00 14.03 H new ATOM 0 HG23 THR A 50 -3.541 -13.745 12.715 1.00 14.03 H new ATOM 723 N GLY A 51 -5.661 -14.542 11.680 1.00 25.42 N ATOM 724 CA GLY A 51 -6.717 -13.603 11.349 1.00 32.20 C ATOM 725 C GLY A 51 -6.214 -12.177 11.251 1.00 22.55 C ATOM 726 O GLY A 51 -6.920 -11.235 11.612 1.00 64.33 O ATOM 0 H GLY A 51 -4.870 -14.543 11.035 1.00 25.42 H new ATOM 0 HA2 GLY A 51 -7.171 -13.891 10.401 1.00 32.20 H new ATOM 0 HA3 GLY A 51 -7.499 -13.658 12.107 1.00 32.20 H new ATOM 730 N LYS A 52 -4.990 -12.015 10.761 1.00 12.31 N ATOM 731 CA LYS A 52 -4.392 -10.693 10.616 1.00 61.42 C ATOM 732 C LYS A 52 -4.613 -10.147 9.210 1.00 35.34 C ATOM 733 O LYS A 52 -4.888 -10.902 8.278 1.00 21.33 O ATOM 734 CB LYS A 52 -2.894 -10.753 10.922 1.00 32.02 C ATOM 735 CG LYS A 52 -2.581 -11.125 12.360 1.00 72.54 C ATOM 736 CD LYS A 52 -2.270 -9.897 13.199 1.00 42.54 C ATOM 737 CE LYS A 52 -3.513 -9.372 13.901 1.00 51.31 C ATOM 738 NZ LYS A 52 -3.413 -9.505 15.381 1.00 13.34 N ATOM 0 H LYS A 52 -4.392 -12.783 10.457 1.00 12.31 H new ATOM 0 HA LYS A 52 -4.876 -10.023 11.327 1.00 61.42 H new ATOM 0 HB2 LYS A 52 -2.425 -11.479 10.258 1.00 32.02 H new ATOM 0 HB3 LYS A 52 -2.448 -9.783 10.701 1.00 32.02 H new ATOM 0 HG2 LYS A 52 -3.429 -11.657 12.792 1.00 72.54 H new ATOM 0 HG3 LYS A 52 -1.731 -11.807 12.383 1.00 72.54 H new ATOM 0 HD2 LYS A 52 -1.510 -10.144 13.940 1.00 42.54 H new ATOM 0 HD3 LYS A 52 -1.853 -9.116 12.563 1.00 42.54 H new ATOM 0 HE2 LYS A 52 -3.662 -8.324 13.640 1.00 51.31 H new ATOM 0 HE3 LYS A 52 -4.388 -9.917 13.546 1.00 51.31 H new ATOM 0 HZ1 LYS A 52 -4.280 -9.136 15.822 1.00 13.34 H new ATOM 0 HZ2 LYS A 52 -3.296 -10.507 15.632 1.00 13.34 H new ATOM 0 HZ3 LYS A 52 -2.593 -8.964 15.724 1.00 13.34 H new ATOM 748 N GLU A 53 -4.490 -8.832 9.064 1.00 10.13 N ATOM 749 CA GLU A 53 -4.676 -8.186 7.769 1.00 62.32 C ATOM 750 C GLU A 53 -3.359 -7.619 7.250 1.00 3.44 C ATOM 751 O GLU A 53 -2.993 -6.484 7.561 1.00 1.23 O ATOM 752 CB GLU A 53 -5.718 -7.071 7.876 1.00 4.30 C ATOM 753 CG GLU A 53 -6.853 -7.388 8.836 1.00 41.10 C ATOM 754 CD GLU A 53 -8.126 -6.633 8.504 1.00 0.22 C ATOM 755 OE1 GLU A 53 -8.369 -6.377 7.306 1.00 52.24 O ATOM 756 OE2 GLU A 53 -8.878 -6.299 9.443 1.00 1.43 O ATOM 0 H GLU A 53 -4.262 -8.193 9.826 1.00 10.13 H new ATOM 0 HA GLU A 53 -5.030 -8.938 7.064 1.00 62.32 H new ATOM 0 HB2 GLU A 53 -5.225 -6.154 8.200 1.00 4.30 H new ATOM 0 HB3 GLU A 53 -6.133 -6.877 6.887 1.00 4.30 H new ATOM 0 HG2 GLU A 53 -7.054 -8.459 8.814 1.00 41.10 H new ATOM 0 HG3 GLU A 53 -6.544 -7.142 9.852 1.00 41.10 H new ATOM 761 N LEU A 54 -2.650 -8.415 6.458 1.00 12.02 N ATOM 762 CA LEU A 54 -1.372 -7.993 5.895 1.00 55.33 C ATOM 763 C LEU A 54 -1.393 -8.079 4.372 1.00 75.03 C ATOM 764 O LEU A 54 -2.247 -8.747 3.789 1.00 1.00 O ATOM 765 CB LEU A 54 -0.237 -8.855 6.451 1.00 32.33 C ATOM 766 CG LEU A 54 -0.644 -10.216 7.019 1.00 2.24 C ATOM 767 CD1 LEU A 54 -1.075 -11.153 5.902 1.00 74.31 C ATOM 768 CD2 LEU A 54 0.499 -10.824 7.819 1.00 4.21 C ATOM 0 H LEU A 54 -2.938 -9.356 6.191 1.00 12.02 H new ATOM 0 HA LEU A 54 -1.203 -6.954 6.179 1.00 55.33 H new ATOM 0 HB2 LEU A 54 0.491 -9.018 5.656 1.00 32.33 H new ATOM 0 HB3 LEU A 54 0.269 -8.293 7.236 1.00 32.33 H new ATOM 0 HG LEU A 54 -1.491 -10.070 7.689 1.00 2.24 H new ATOM 0 HD11 LEU A 54 -1.361 -12.116 6.325 1.00 74.31 H new ATOM 0 HD12 LEU A 54 -1.925 -10.722 5.373 1.00 74.31 H new ATOM 0 HD13 LEU A 54 -0.248 -11.294 5.206 1.00 74.31 H new ATOM 0 HD21 LEU A 54 0.191 -11.792 8.215 1.00 4.21 H new ATOM 0 HD22 LEU A 54 1.366 -10.956 7.172 1.00 4.21 H new ATOM 0 HD23 LEU A 54 0.759 -10.160 8.644 1.00 4.21 H new ATOM 779 N VAL A 55 -0.445 -7.401 3.733 1.00 32.02 N ATOM 780 CA VAL A 55 -0.352 -7.404 2.278 1.00 1.05 C ATOM 781 C VAL A 55 1.092 -7.234 1.819 1.00 1.21 C ATOM 782 O VAL A 55 1.724 -6.212 2.088 1.00 11.32 O ATOM 783 CB VAL A 55 -1.211 -6.285 1.658 1.00 61.05 C ATOM 784 CG1 VAL A 55 -2.618 -6.787 1.376 1.00 2.35 C ATOM 785 CG2 VAL A 55 -1.242 -5.070 2.574 1.00 21.11 C ATOM 0 H VAL A 55 0.269 -6.843 4.200 1.00 32.02 H new ATOM 0 HA VAL A 55 -0.727 -8.370 1.939 1.00 1.05 H new ATOM 0 HB VAL A 55 -0.762 -5.986 0.711 1.00 61.05 H new ATOM 0 HG11 VAL A 55 -3.210 -5.983 0.938 1.00 2.35 H new ATOM 0 HG12 VAL A 55 -2.573 -7.625 0.680 1.00 2.35 H new ATOM 0 HG13 VAL A 55 -3.081 -7.113 2.307 1.00 2.35 H new ATOM 0 HG21 VAL A 55 -1.853 -4.289 2.122 1.00 21.11 H new ATOM 0 HG22 VAL A 55 -1.668 -5.351 3.537 1.00 21.11 H new ATOM 0 HG23 VAL A 55 -0.228 -4.699 2.720 1.00 21.11 H new ATOM 795 N LEU A 56 1.608 -8.242 1.125 1.00 14.44 N ATOM 796 CA LEU A 56 2.979 -8.205 0.627 1.00 31.22 C ATOM 797 C LEU A 56 3.109 -7.229 -0.539 1.00 61.23 C ATOM 798 O LEU A 56 2.159 -7.018 -1.294 1.00 75.40 O ATOM 799 CB LEU A 56 3.421 -9.602 0.189 1.00 35.40 C ATOM 800 CG LEU A 56 4.896 -9.754 -0.182 1.00 55.24 C ATOM 801 CD1 LEU A 56 5.195 -9.035 -1.488 1.00 13.33 C ATOM 802 CD2 LEU A 56 5.784 -9.226 0.935 1.00 15.42 C ATOM 0 H LEU A 56 1.098 -9.095 0.894 1.00 14.44 H new ATOM 0 HA LEU A 56 3.624 -7.863 1.436 1.00 31.22 H new ATOM 0 HB2 LEU A 56 3.196 -10.301 0.994 1.00 35.40 H new ATOM 0 HB3 LEU A 56 2.819 -9.899 -0.669 1.00 35.40 H new ATOM 0 HG LEU A 56 5.109 -10.814 -0.318 1.00 55.24 H new ATOM 0 HD11 LEU A 56 6.250 -9.154 -1.736 1.00 13.33 H new ATOM 0 HD12 LEU A 56 4.585 -9.460 -2.285 1.00 13.33 H new ATOM 0 HD13 LEU A 56 4.965 -7.975 -1.381 1.00 13.33 H new ATOM 0 HD21 LEU A 56 6.831 -9.342 0.654 1.00 15.42 H new ATOM 0 HD22 LEU A 56 5.569 -8.171 1.103 1.00 15.42 H new ATOM 0 HD23 LEU A 56 5.590 -9.786 1.850 1.00 15.42 H new ATOM 813 N ALA A 57 4.291 -6.639 -0.680 1.00 22.33 N ATOM 814 CA ALA A 57 4.546 -5.689 -1.756 1.00 23.21 C ATOM 815 C ALA A 57 5.153 -6.385 -2.970 1.00 71.22 C ATOM 816 O ALA A 57 6.309 -6.808 -2.943 1.00 54.44 O ATOM 817 CB ALA A 57 5.463 -4.576 -1.272 1.00 44.44 C ATOM 0 H ALA A 57 5.087 -6.802 -0.063 1.00 22.33 H new ATOM 0 HA ALA A 57 3.593 -5.255 -2.057 1.00 23.21 H new ATOM 0 HB1 ALA A 57 5.645 -3.874 -2.086 1.00 44.44 H new ATOM 0 HB2 ALA A 57 4.992 -4.053 -0.440 1.00 44.44 H new ATOM 0 HB3 ALA A 57 6.410 -5.003 -0.943 1.00 44.44 H new ATOM 823 N LEU A 58 4.366 -6.501 -4.034 1.00 23.54 N ATOM 824 CA LEU A 58 4.825 -7.147 -5.259 1.00 25.11 C ATOM 825 C LEU A 58 5.763 -6.231 -6.038 1.00 34.42 C ATOM 826 O LEU A 58 6.789 -6.672 -6.557 1.00 61.31 O ATOM 827 CB LEU A 58 3.631 -7.537 -6.132 1.00 53.33 C ATOM 828 CG LEU A 58 2.494 -8.274 -5.424 1.00 32.31 C ATOM 829 CD1 LEU A 58 1.311 -8.459 -6.364 1.00 53.41 C ATOM 830 CD2 LEU A 58 2.975 -9.619 -4.899 1.00 11.32 C ATOM 0 H LEU A 58 3.407 -6.156 -4.073 1.00 23.54 H new ATOM 0 HA LEU A 58 5.373 -8.048 -4.983 1.00 25.11 H new ATOM 0 HB2 LEU A 58 3.225 -6.631 -6.583 1.00 53.33 H new ATOM 0 HB3 LEU A 58 3.992 -8.164 -6.947 1.00 53.33 H new ATOM 0 HG LEU A 58 2.168 -7.671 -4.576 1.00 32.31 H new ATOM 0 HD11 LEU A 58 0.511 -8.985 -5.843 1.00 53.41 H new ATOM 0 HD12 LEU A 58 0.950 -7.484 -6.691 1.00 53.41 H new ATOM 0 HD13 LEU A 58 1.623 -9.040 -7.232 1.00 53.41 H new ATOM 0 HD21 LEU A 58 2.152 -10.129 -4.398 1.00 11.32 H new ATOM 0 HD22 LEU A 58 3.328 -10.229 -5.730 1.00 11.32 H new ATOM 0 HD23 LEU A 58 3.790 -9.463 -4.192 1.00 11.32 H new ATOM 841 N TYR A 59 5.405 -4.955 -6.116 1.00 50.11 N ATOM 842 CA TYR A 59 6.215 -3.976 -6.833 1.00 62.45 C ATOM 843 C TYR A 59 6.567 -2.797 -5.931 1.00 54.14 C ATOM 844 O TYR A 59 6.010 -2.643 -4.844 1.00 50.31 O ATOM 845 CB TYR A 59 5.471 -3.479 -8.073 1.00 2.33 C ATOM 846 CG TYR A 59 4.654 -4.550 -8.760 1.00 54.34 C ATOM 847 CD1 TYR A 59 5.160 -5.832 -8.934 1.00 74.34 C ATOM 848 CD2 TYR A 59 3.377 -4.280 -9.234 1.00 33.14 C ATOM 849 CE1 TYR A 59 4.418 -6.815 -9.561 1.00 15.41 C ATOM 850 CE2 TYR A 59 2.627 -5.256 -9.861 1.00 63.12 C ATOM 851 CZ TYR A 59 3.152 -6.522 -10.022 1.00 33.11 C ATOM 852 OH TYR A 59 2.408 -7.497 -10.647 1.00 51.51 O ATOM 0 H TYR A 59 4.559 -4.573 -5.692 1.00 50.11 H new ATOM 0 HA TYR A 59 7.140 -4.463 -7.143 1.00 62.45 H new ATOM 0 HB2 TYR A 59 4.812 -2.659 -7.787 1.00 2.33 H new ATOM 0 HB3 TYR A 59 6.193 -3.075 -8.782 1.00 2.33 H new ATOM 0 HD1 TYR A 59 6.151 -6.065 -8.573 1.00 74.34 H new ATOM 0 HD2 TYR A 59 2.963 -3.290 -9.110 1.00 33.14 H new ATOM 0 HE1 TYR A 59 4.827 -7.806 -9.689 1.00 15.41 H new ATOM 0 HE2 TYR A 59 1.635 -5.029 -10.223 1.00 63.12 H new ATOM 0 HH TYR A 59 1.539 -7.127 -10.910 1.00 51.51 H new ATOM 861 N ASP A 60 7.497 -1.967 -6.391 1.00 31.13 N ATOM 862 CA ASP A 60 7.926 -0.800 -5.629 1.00 3.14 C ATOM 863 C ASP A 60 7.001 0.385 -5.886 1.00 42.41 C ATOM 864 O ASP A 60 6.632 0.662 -7.027 1.00 3.43 O ATOM 865 CB ASP A 60 9.364 -0.428 -5.990 1.00 32.34 C ATOM 866 CG ASP A 60 10.249 -1.645 -6.175 1.00 23.52 C ATOM 867 OD1 ASP A 60 10.742 -2.181 -5.160 1.00 23.21 O ATOM 868 OD2 ASP A 60 10.446 -2.064 -7.335 1.00 54.11 O ATOM 0 H ASP A 60 7.968 -2.081 -7.288 1.00 31.13 H new ATOM 0 HA ASP A 60 7.880 -1.052 -4.569 1.00 3.14 H new ATOM 0 HB2 ASP A 60 9.364 0.160 -6.908 1.00 32.34 H new ATOM 0 HB3 ASP A 60 9.780 0.204 -5.206 1.00 32.34 H new ATOM 872 N TYR A 61 6.629 1.082 -4.817 1.00 53.20 N ATOM 873 CA TYR A 61 5.744 2.235 -4.925 1.00 11.42 C ATOM 874 C TYR A 61 6.205 3.364 -4.008 1.00 41.21 C ATOM 875 O TYR A 61 7.075 3.171 -3.159 1.00 31.33 O ATOM 876 CB TYR A 61 4.308 1.837 -4.582 1.00 51.21 C ATOM 877 CG TYR A 61 3.313 2.964 -4.738 1.00 12.54 C ATOM 878 CD1 TYR A 61 3.136 3.906 -3.733 1.00 40.53 C ATOM 879 CD2 TYR A 61 2.549 3.088 -5.893 1.00 54.34 C ATOM 880 CE1 TYR A 61 2.228 4.938 -3.871 1.00 65.31 C ATOM 881 CE2 TYR A 61 1.640 4.117 -6.041 1.00 10.32 C ATOM 882 CZ TYR A 61 1.482 5.039 -5.027 1.00 63.11 C ATOM 883 OH TYR A 61 0.576 6.065 -5.170 1.00 20.43 O ATOM 0 H TYR A 61 6.927 0.868 -3.865 1.00 53.20 H new ATOM 0 HA TYR A 61 5.778 2.591 -5.954 1.00 11.42 H new ATOM 0 HB2 TYR A 61 4.007 1.007 -5.222 1.00 51.21 H new ATOM 0 HB3 TYR A 61 4.276 1.475 -3.554 1.00 51.21 H new ATOM 0 HD1 TYR A 61 3.719 3.830 -2.827 1.00 40.53 H new ATOM 0 HD2 TYR A 61 2.669 2.367 -6.688 1.00 54.34 H new ATOM 0 HE1 TYR A 61 2.103 5.661 -3.079 1.00 65.31 H new ATOM 0 HE2 TYR A 61 1.056 4.200 -6.946 1.00 10.32 H new ATOM 0 HH TYR A 61 -0.156 5.776 -5.754 1.00 20.43 H new ATOM 892 N GLN A 62 5.614 4.541 -4.186 1.00 3.04 N ATOM 893 CA GLN A 62 5.963 5.700 -3.375 1.00 40.52 C ATOM 894 C GLN A 62 4.799 6.682 -3.297 1.00 22.21 C ATOM 895 O GLN A 62 4.303 7.153 -4.320 1.00 24.33 O ATOM 896 CB GLN A 62 7.197 6.399 -3.950 1.00 43.45 C ATOM 897 CG GLN A 62 8.377 6.437 -2.992 1.00 41.21 C ATOM 898 CD GLN A 62 8.308 7.603 -2.027 1.00 51.34 C ATOM 899 OE1 GLN A 62 9.320 8.241 -1.731 1.00 60.51 O ATOM 900 NE2 GLN A 62 7.111 7.891 -1.528 1.00 33.11 N ATOM 0 H GLN A 62 4.892 4.717 -4.884 1.00 3.04 H new ATOM 0 HA GLN A 62 6.188 5.351 -2.367 1.00 40.52 H new ATOM 0 HB2 GLN A 62 7.499 5.890 -4.865 1.00 43.45 H new ATOM 0 HB3 GLN A 62 6.931 7.419 -4.226 1.00 43.45 H new ATOM 0 HG2 GLN A 62 8.412 5.505 -2.428 1.00 41.21 H new ATOM 0 HG3 GLN A 62 9.303 6.498 -3.564 1.00 41.21 H new ATOM 0 HE21 GLN A 62 6.299 7.337 -1.800 1.00 33.11 H new ATOM 0 HE22 GLN A 62 7.004 8.666 -0.873 1.00 33.11 H new ATOM 907 N GLU A 63 4.366 6.985 -2.077 1.00 1.15 N ATOM 908 CA GLU A 63 3.258 7.910 -1.868 1.00 75.42 C ATOM 909 C GLU A 63 3.713 9.135 -1.080 1.00 10.40 C ATOM 910 O GLU A 63 4.604 9.047 -0.235 1.00 63.00 O ATOM 911 CB GLU A 63 2.114 7.211 -1.130 1.00 15.52 C ATOM 912 CG GLU A 63 0.745 7.486 -1.730 1.00 52.22 C ATOM 913 CD GLU A 63 0.459 8.968 -1.876 1.00 51.55 C ATOM 914 OE1 GLU A 63 0.108 9.606 -0.862 1.00 50.53 O ATOM 915 OE2 GLU A 63 0.585 9.488 -3.004 1.00 42.44 O ATOM 0 H GLU A 63 4.765 6.604 -1.219 1.00 1.15 H new ATOM 0 HA GLU A 63 2.904 8.239 -2.845 1.00 75.42 H new ATOM 0 HB2 GLU A 63 2.294 6.136 -1.134 1.00 15.52 H new ATOM 0 HB3 GLU A 63 2.116 7.531 -0.088 1.00 15.52 H new ATOM 0 HG2 GLU A 63 0.679 7.009 -2.708 1.00 52.22 H new ATOM 0 HG3 GLU A 63 -0.021 7.032 -1.101 1.00 52.22 H new ATOM 920 N SER A 64 3.096 10.277 -1.363 1.00 24.25 N ATOM 921 CA SER A 64 3.439 11.521 -0.685 1.00 44.11 C ATOM 922 C SER A 64 2.209 12.136 -0.023 1.00 14.44 C ATOM 923 O SER A 64 1.460 12.882 -0.652 1.00 63.33 O ATOM 924 CB SER A 64 4.051 12.515 -1.675 1.00 22.53 C ATOM 925 OG SER A 64 3.189 12.728 -2.780 1.00 10.31 O ATOM 0 H SER A 64 2.355 10.367 -2.058 1.00 24.25 H new ATOM 0 HA SER A 64 4.171 11.294 0.090 1.00 44.11 H new ATOM 0 HB2 SER A 64 4.244 13.463 -1.172 1.00 22.53 H new ATOM 0 HB3 SER A 64 5.012 12.139 -2.026 1.00 22.53 H new ATOM 0 HG SER A 64 2.270 12.843 -2.460 1.00 10.31 H new ATOM 930 N GLY A 65 2.011 11.818 1.252 1.00 65.15 N ATOM 931 CA GLY A 65 0.872 12.347 1.979 1.00 43.01 C ATOM 932 C GLY A 65 -0.414 11.611 1.659 1.00 34.34 C ATOM 933 O GLY A 65 -0.986 11.787 0.583 1.00 30.22 O ATOM 0 H GLY A 65 2.618 11.204 1.794 1.00 65.15 H new ATOM 0 HA2 GLY A 65 1.067 12.283 3.050 1.00 43.01 H new ATOM 0 HA3 GLY A 65 0.751 13.404 1.740 1.00 43.01 H new ATOM 937 N ASP A 66 -0.868 10.783 2.593 1.00 60.33 N ATOM 938 CA ASP A 66 -2.095 10.016 2.405 1.00 74.21 C ATOM 939 C ASP A 66 -3.130 10.829 1.634 1.00 61.44 C ATOM 940 O ASP A 66 -3.758 11.732 2.184 1.00 50.12 O ATOM 941 CB ASP A 66 -2.667 9.588 3.757 1.00 71.23 C ATOM 942 CG ASP A 66 -2.038 10.337 4.915 1.00 14.13 C ATOM 943 OD1 ASP A 66 -1.745 11.540 4.755 1.00 2.21 O ATOM 944 OD2 ASP A 66 -1.837 9.720 5.981 1.00 65.34 O ATOM 0 H ASP A 66 -0.405 10.625 3.488 1.00 60.33 H new ATOM 0 HA ASP A 66 -1.853 9.126 1.825 1.00 74.21 H new ATOM 0 HB2 ASP A 66 -3.744 9.755 3.762 1.00 71.23 H new ATOM 0 HB3 ASP A 66 -2.510 8.518 3.892 1.00 71.23 H new ATOM 948 N ASN A 67 -3.303 10.500 0.358 1.00 73.14 N ATOM 949 CA ASN A 67 -4.262 11.201 -0.489 1.00 2.31 C ATOM 950 C ASN A 67 -5.267 10.226 -1.095 1.00 13.20 C ATOM 951 O ASN A 67 -4.915 9.107 -1.465 1.00 34.53 O ATOM 952 CB ASN A 67 -3.533 11.958 -1.602 1.00 62.23 C ATOM 953 CG ASN A 67 -2.560 11.076 -2.359 1.00 53.33 C ATOM 954 OD1 ASN A 67 -1.347 11.279 -2.302 1.00 51.44 O ATOM 955 ND2 ASN A 67 -3.088 10.090 -3.074 1.00 73.24 N ATOM 0 H ASN A 67 -2.792 9.753 -0.112 1.00 73.14 H new ATOM 0 HA ASN A 67 -4.804 11.914 0.132 1.00 2.31 H new ATOM 0 HB2 ASN A 67 -4.265 12.368 -2.298 1.00 62.23 H new ATOM 0 HB3 ASN A 67 -2.995 12.802 -1.171 1.00 62.23 H new ATOM 0 HD21 ASN A 67 -2.482 9.464 -3.605 1.00 73.24 H new ATOM 0 HD22 ASN A 67 -4.099 9.958 -3.093 1.00 73.24 H new ATOM 961 N ALA A 68 -6.519 10.660 -1.193 1.00 31.04 N ATOM 962 CA ALA A 68 -7.574 9.827 -1.756 1.00 3.25 C ATOM 963 C ALA A 68 -7.292 9.498 -3.219 1.00 65.35 C ATOM 964 O ALA A 68 -6.877 10.351 -4.003 1.00 74.31 O ATOM 965 CB ALA A 68 -8.922 10.520 -1.620 1.00 60.55 C ATOM 0 H ALA A 68 -6.827 11.584 -0.890 1.00 31.04 H new ATOM 0 HA ALA A 68 -7.600 8.891 -1.198 1.00 3.25 H new ATOM 0 HB1 ALA A 68 -9.701 9.887 -2.045 1.00 60.55 H new ATOM 0 HB2 ALA A 68 -9.134 10.699 -0.566 1.00 60.55 H new ATOM 0 HB3 ALA A 68 -8.897 11.471 -2.152 1.00 60.55 H new ATOM 971 N PRO A 69 -7.522 8.231 -3.596 1.00 44.34 N ATOM 972 CA PRO A 69 -7.300 7.760 -4.966 1.00 41.42 C ATOM 973 C PRO A 69 -8.310 8.340 -5.949 1.00 5.42 C ATOM 974 O PRO A 69 -9.281 7.680 -6.318 1.00 10.40 O ATOM 975 CB PRO A 69 -7.474 6.245 -4.853 1.00 74.45 C ATOM 976 CG PRO A 69 -8.358 6.051 -3.669 1.00 12.43 C ATOM 977 CD PRO A 69 -8.018 7.162 -2.714 1.00 61.22 C ATOM 0 HA PRO A 69 -6.325 8.063 -5.348 1.00 41.42 H new ATOM 0 HB2 PRO A 69 -7.924 5.830 -5.755 1.00 74.45 H new ATOM 0 HB3 PRO A 69 -6.515 5.746 -4.717 1.00 74.45 H new ATOM 0 HG2 PRO A 69 -9.409 6.090 -3.956 1.00 12.43 H new ATOM 0 HG3 PRO A 69 -8.189 5.077 -3.211 1.00 12.43 H new ATOM 0 HD2 PRO A 69 -8.890 7.483 -2.145 1.00 61.22 H new ATOM 0 HD3 PRO A 69 -7.262 6.854 -1.992 1.00 61.22 H new ATOM 982 N SER A 70 -8.075 9.579 -6.371 1.00 4.41 N ATOM 983 CA SER A 70 -8.967 10.249 -7.310 1.00 52.22 C ATOM 984 C SER A 70 -8.614 9.885 -8.749 1.00 62.11 C ATOM 985 O SER A 70 -9.298 10.291 -9.689 1.00 34.04 O ATOM 986 CB SER A 70 -8.892 11.766 -7.123 1.00 22.53 C ATOM 987 OG SER A 70 -10.024 12.405 -7.688 1.00 0.45 O ATOM 0 H SER A 70 -7.274 10.139 -6.077 1.00 4.41 H new ATOM 0 HA SER A 70 -9.985 9.915 -7.108 1.00 52.22 H new ATOM 0 HB2 SER A 70 -8.829 12.002 -6.061 1.00 22.53 H new ATOM 0 HB3 SER A 70 -7.984 12.149 -7.589 1.00 22.53 H new ATOM 0 HG SER A 70 -10.279 11.947 -8.516 1.00 0.45 H new ATOM 992 N TYR A 71 -7.543 9.116 -8.912 1.00 44.21 N ATOM 993 CA TYR A 71 -7.097 8.698 -10.235 1.00 21.34 C ATOM 994 C TYR A 71 -6.800 7.202 -10.263 1.00 63.32 C ATOM 995 O TYR A 71 -6.803 6.538 -9.226 1.00 55.32 O ATOM 996 CB TYR A 71 -5.852 9.484 -10.649 1.00 5.33 C ATOM 997 CG TYR A 71 -4.786 9.535 -9.580 1.00 53.33 C ATOM 998 CD1 TYR A 71 -4.265 8.368 -9.033 1.00 53.32 C ATOM 999 CD2 TYR A 71 -4.296 10.750 -9.116 1.00 51.41 C ATOM 1000 CE1 TYR A 71 -3.290 8.410 -8.055 1.00 65.34 C ATOM 1001 CE2 TYR A 71 -3.321 10.802 -8.139 1.00 74.11 C ATOM 1002 CZ TYR A 71 -2.821 9.629 -7.611 1.00 4.12 C ATOM 1003 OH TYR A 71 -1.849 9.675 -6.638 1.00 23.22 O ATOM 0 H TYR A 71 -6.968 8.770 -8.144 1.00 44.21 H new ATOM 0 HA TYR A 71 -7.900 8.904 -10.942 1.00 21.34 H new ATOM 0 HB2 TYR A 71 -5.431 9.035 -11.549 1.00 5.33 H new ATOM 0 HB3 TYR A 71 -6.144 10.502 -10.908 1.00 5.33 H new ATOM 0 HD1 TYR A 71 -4.629 7.412 -9.379 1.00 53.32 H new ATOM 0 HD2 TYR A 71 -4.685 11.670 -9.527 1.00 51.41 H new ATOM 0 HE1 TYR A 71 -2.897 7.493 -7.640 1.00 65.34 H new ATOM 0 HE2 TYR A 71 -2.952 11.755 -7.790 1.00 74.11 H new ATOM 0 HH TYR A 71 -1.629 10.609 -6.439 1.00 23.22 H new ATOM 1012 N SER A 72 -6.544 6.677 -11.457 1.00 10.45 N ATOM 1013 CA SER A 72 -6.247 5.259 -11.622 1.00 24.24 C ATOM 1014 C SER A 72 -4.842 4.937 -11.123 1.00 24.50 C ATOM 1015 O SER A 72 -3.963 5.797 -11.064 1.00 31.55 O ATOM 1016 CB SER A 72 -6.384 4.855 -13.091 1.00 4.23 C ATOM 1017 OG SER A 72 -7.732 4.559 -13.415 1.00 3.41 O ATOM 0 H SER A 72 -6.536 7.213 -12.325 1.00 10.45 H new ATOM 0 HA SER A 72 -6.964 4.691 -11.028 1.00 24.24 H new ATOM 0 HB2 SER A 72 -6.022 5.662 -13.729 1.00 4.23 H new ATOM 0 HB3 SER A 72 -5.759 3.985 -13.292 1.00 4.23 H new ATOM 0 HG SER A 72 -7.793 4.305 -14.360 1.00 3.41 H new ATOM 1022 N PRO A 73 -4.623 3.666 -10.754 1.00 24.20 N ATOM 1023 CA PRO A 73 -3.327 3.198 -10.254 1.00 64.32 C ATOM 1024 C PRO A 73 -2.262 3.168 -11.345 1.00 62.15 C ATOM 1025 O PRO A 73 -2.553 2.970 -12.524 1.00 20.54 O ATOM 1026 CB PRO A 73 -3.629 1.781 -9.760 1.00 34.12 C ATOM 1027 CG PRO A 73 -4.811 1.346 -10.554 1.00 25.23 C ATOM 1028 CD PRO A 73 -5.625 2.587 -10.797 1.00 31.24 C ATOM 0 HA PRO A 73 -2.925 3.856 -9.483 1.00 64.32 H new ATOM 0 HB2 PRO A 73 -2.779 1.117 -9.919 1.00 34.12 H new ATOM 0 HB3 PRO A 73 -3.845 1.772 -8.692 1.00 34.12 H new ATOM 0 HG2 PRO A 73 -4.503 0.891 -11.495 1.00 25.23 H new ATOM 0 HG3 PRO A 73 -5.391 0.598 -10.013 1.00 25.23 H new ATOM 0 HD2 PRO A 73 -6.135 2.551 -11.759 1.00 31.24 H new ATOM 0 HD3 PRO A 73 -6.392 2.720 -10.034 1.00 31.24 H new ATOM 1033 N PRO A 74 -0.998 3.368 -10.944 1.00 63.43 N ATOM 1034 CA PRO A 74 0.136 3.366 -11.873 1.00 42.34 C ATOM 1035 C PRO A 74 0.429 1.976 -12.429 1.00 50.42 C ATOM 1036 O PRO A 74 0.135 0.957 -11.804 1.00 32.13 O ATOM 1037 CB PRO A 74 1.303 3.852 -11.008 1.00 44.53 C ATOM 1038 CG PRO A 74 0.919 3.488 -9.615 1.00 3.21 C ATOM 1039 CD PRO A 74 -0.578 3.609 -9.553 1.00 21.11 C ATOM 0 HA PRO A 74 -0.053 3.988 -12.748 1.00 42.34 H new ATOM 0 HB2 PRO A 74 2.238 3.373 -11.299 1.00 44.53 H new ATOM 0 HB3 PRO A 74 1.451 4.927 -11.110 1.00 44.53 H new ATOM 0 HG2 PRO A 74 1.239 2.474 -9.374 1.00 3.21 H new ATOM 0 HG3 PRO A 74 1.394 4.152 -8.893 1.00 3.21 H new ATOM 0 HD2 PRO A 74 -1.012 2.879 -8.870 1.00 21.11 H new ATOM 0 HD3 PRO A 74 -0.887 4.594 -9.205 1.00 21.11 H new ATOM 1044 N PRO A 75 1.021 1.933 -13.631 1.00 52.23 N ATOM 1045 CA PRO A 75 1.368 0.674 -14.297 1.00 23.43 C ATOM 1046 C PRO A 75 2.509 -0.057 -13.599 1.00 23.21 C ATOM 1047 O PRO A 75 3.582 0.499 -13.363 1.00 51.12 O ATOM 1048 CB PRO A 75 1.795 1.119 -15.697 1.00 14.03 C ATOM 1049 CG PRO A 75 2.255 2.526 -15.524 1.00 22.11 C ATOM 1050 CD PRO A 75 1.401 3.109 -14.432 1.00 22.32 C ATOM 0 HA PRO A 75 0.536 -0.031 -14.294 1.00 23.43 H new ATOM 0 HB2 PRO A 75 2.593 0.487 -16.087 1.00 14.03 H new ATOM 0 HB3 PRO A 75 0.966 1.057 -16.402 1.00 14.03 H new ATOM 0 HG2 PRO A 75 3.311 2.561 -15.255 1.00 22.11 H new ATOM 0 HG3 PRO A 75 2.143 3.090 -16.450 1.00 22.11 H new ATOM 0 HD2 PRO A 75 1.951 3.839 -13.838 1.00 22.32 H new ATOM 0 HD3 PRO A 75 0.527 3.620 -14.835 1.00 22.32 H new ATOM 1055 N PRO A 76 2.275 -1.334 -13.260 1.00 74.21 N ATOM 1056 CA PRO A 76 3.274 -2.168 -12.584 1.00 31.41 C ATOM 1057 C PRO A 76 4.445 -2.521 -13.493 1.00 32.32 C ATOM 1058 O PRO A 76 4.419 -2.284 -14.702 1.00 52.05 O ATOM 1059 CB PRO A 76 2.489 -3.428 -12.210 1.00 23.14 C ATOM 1060 CG PRO A 76 1.376 -3.488 -13.200 1.00 70.14 C ATOM 1061 CD PRO A 76 1.020 -2.061 -13.510 1.00 61.53 C ATOM 0 HA PRO A 76 3.721 -1.658 -11.731 1.00 31.41 H new ATOM 0 HB2 PRO A 76 3.117 -4.317 -12.266 1.00 23.14 H new ATOM 0 HB3 PRO A 76 2.109 -3.370 -11.190 1.00 23.14 H new ATOM 0 HG2 PRO A 76 1.684 -4.018 -14.101 1.00 70.14 H new ATOM 0 HG3 PRO A 76 0.519 -4.024 -12.792 1.00 70.14 H new ATOM 0 HD2 PRO A 76 0.687 -1.945 -14.541 1.00 61.53 H new ATOM 0 HD3 PRO A 76 0.213 -1.701 -12.872 1.00 61.53 H new ATOM 1066 N PRO A 77 5.500 -3.104 -12.902 1.00 14.33 N ATOM 1067 CA PRO A 77 6.701 -3.503 -13.642 1.00 13.51 C ATOM 1068 C PRO A 77 6.444 -4.685 -14.570 1.00 62.44 C ATOM 1069 O PRO A 77 6.010 -4.511 -15.709 1.00 54.02 O ATOM 1070 CB PRO A 77 7.684 -3.894 -12.537 1.00 53.35 C ATOM 1071 CG PRO A 77 6.824 -4.287 -11.386 1.00 53.13 C ATOM 1072 CD PRO A 77 5.601 -3.417 -11.467 1.00 24.14 C ATOM 0 HA PRO A 77 7.064 -2.706 -14.291 1.00 13.51 H new ATOM 0 HB2 PRO A 77 8.325 -4.717 -12.851 1.00 53.35 H new ATOM 0 HB3 PRO A 77 8.338 -3.062 -12.276 1.00 53.35 H new ATOM 0 HG2 PRO A 77 6.557 -5.342 -11.441 1.00 53.13 H new ATOM 0 HG3 PRO A 77 7.346 -4.139 -10.441 1.00 53.13 H new ATOM 0 HD2 PRO A 77 4.714 -3.937 -11.106 1.00 24.14 H new ATOM 0 HD3 PRO A 77 5.709 -2.515 -10.865 1.00 24.14 H new