USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 651 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 87 ASN : amide:sc= -1.15 K(o=-3,f=-3.9) USER MOD Set 1.2: A 90 THR OG1 : rot 94:sc= -1.85 USER MOD Set 2.1: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Set 3.1: A 46 GLN : amide:sc= -0.0181 K(o=-0.051,f=-0.91) USER MOD Set 3.2: A 89 ASN : amide:sc= -0.0332 K(o=-0.051,f=-0.94) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0443 USER MOD Single : A 8 THR OG1 : rot 72:sc= 0.209 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00721 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0341 USER MOD Single : A 19 THR OG1 : rot -85:sc= 0.817 USER MOD Single : A 25 SER OG : rot 180:sc= 0.345 USER MOD Single : A 27 GLN : amide:sc= -0.0803 X(o=-0.08,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.588 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0042 USER MOD Single : A 50 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 148:sc= -0.0701 (180deg=-0.401) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -70:sc= 0.678 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.656 K(o=-0.66,f=-2.8!) USER MOD Single : A 66 ASN : amide:sc= -1.82 K(o=-1.8,f=-3.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 12:sc= 1.13 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 85 THR OG1 : rot 62:sc= 0.256 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.255 -0.342 0.068 1.00 0.00 N ATOM 2 CA ALA A 1 2.287 -0.363 -0.961 1.00 0.00 C ATOM 3 C ALA A 1 2.913 1.016 -1.138 1.00 0.00 C ATOM 4 O ALA A 1 2.207 2.015 -1.277 1.00 0.00 O ATOM 5 CB ALA A 1 1.709 -0.856 -2.279 1.00 0.00 C ATOM 0 H1 ALA A 1 0.845 -1.293 0.168 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.674 -0.048 0.974 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.509 0.330 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 1 3.070 -1.051 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.491 -0.866 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.316 -1.864 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.905 -0.191 -2.595 1.00 0.00 H new ATOM 11 N ILE A 2 4.241 1.063 -1.132 1.00 0.00 N ATOM 12 CA ILE A 2 4.961 2.320 -1.293 1.00 0.00 C ATOM 13 C ILE A 2 4.926 2.792 -2.742 1.00 0.00 C ATOM 14 O ILE A 2 5.309 2.060 -3.654 1.00 0.00 O ATOM 15 CB ILE A 2 6.428 2.190 -0.843 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.499 1.828 0.642 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.182 3.483 -1.115 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.408 0.341 0.906 1.00 0.00 C ATOM 0 H ILE A 2 4.840 0.245 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 2 4.459 3.054 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 2 6.898 1.390 -1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.434 2.206 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.690 2.333 1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.217 3.375 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.156 3.702 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.713 4.300 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.465 0.158 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.461 -0.039 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.232 -0.168 0.407 1.00 0.00 H new ATOM 30 N SER A 3 4.465 4.022 -2.947 1.00 0.00 N ATOM 31 CA SER A 3 4.378 4.592 -4.286 1.00 0.00 C ATOM 32 C SER A 3 5.614 5.429 -4.602 1.00 0.00 C ATOM 33 O SER A 3 6.484 5.009 -5.365 1.00 0.00 O ATOM 34 CB SER A 3 3.119 5.452 -4.416 1.00 0.00 C ATOM 35 OG SER A 3 3.269 6.425 -5.436 1.00 0.00 O ATOM 0 H SER A 3 4.146 4.643 -2.203 1.00 0.00 H new ATOM 0 HA SER A 3 4.324 3.771 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.262 4.816 -4.639 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.912 5.945 -3.466 1.00 0.00 H new ATOM 0 HG SER A 3 2.451 6.960 -5.500 1.00 0.00 H new ATOM 41 N CYS A 4 5.684 6.617 -4.010 1.00 0.00 N ATOM 42 CA CYS A 4 6.812 7.514 -4.227 1.00 0.00 C ATOM 43 C CYS A 4 6.693 8.758 -3.350 1.00 0.00 C ATOM 44 O CYS A 4 7.688 9.261 -2.831 1.00 0.00 O ATOM 45 CB CYS A 4 6.891 7.921 -5.700 1.00 0.00 C ATOM 46 SG CYS A 4 8.572 7.855 -6.400 1.00 0.00 S ATOM 0 H CYS A 4 4.972 6.980 -3.376 1.00 0.00 H new ATOM 0 HA CYS A 4 7.724 6.984 -3.954 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.241 7.268 -6.282 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.504 8.934 -5.807 1.00 0.00 H new ATOM 51 N GLY A 5 5.468 9.248 -3.190 1.00 0.00 N ATOM 52 CA GLY A 5 5.241 10.428 -2.376 1.00 0.00 C ATOM 53 C GLY A 5 5.738 10.256 -0.954 1.00 0.00 C ATOM 54 O GLY A 5 6.211 11.209 -0.335 1.00 0.00 O ATOM 0 H GLY A 5 4.628 8.849 -3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.742 11.282 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.175 10.655 -2.360 1.00 0.00 H new ATOM 58 N ALA A 6 5.630 9.037 -0.435 1.00 0.00 N ATOM 59 CA ALA A 6 6.073 8.743 0.922 1.00 0.00 C ATOM 60 C ALA A 6 7.594 8.776 1.023 1.00 0.00 C ATOM 61 O ALA A 6 8.150 9.187 2.041 1.00 0.00 O ATOM 62 CB ALA A 6 5.541 7.390 1.369 1.00 0.00 C ATOM 0 H ALA A 6 5.240 8.238 -0.934 1.00 0.00 H new ATOM 0 HA ALA A 6 5.675 9.514 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.880 7.183 2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.451 7.402 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.910 6.614 0.698 1.00 0.00 H new ATOM 68 N VAL A 7 8.262 8.338 -0.040 1.00 0.00 N ATOM 69 CA VAL A 7 9.720 8.317 -0.071 1.00 0.00 C ATOM 70 C VAL A 7 10.285 9.720 -0.260 1.00 0.00 C ATOM 71 O VAL A 7 11.257 10.104 0.393 1.00 0.00 O ATOM 72 CB VAL A 7 10.244 7.408 -1.198 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.750 7.232 -1.085 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.537 6.062 -1.169 1.00 0.00 C ATOM 0 H VAL A 7 7.817 7.993 -0.891 1.00 0.00 H new ATOM 0 HA VAL A 7 10.052 7.921 0.889 1.00 0.00 H new ATOM 0 HB VAL A 7 10.029 7.884 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.102 6.587 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.237 8.204 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.992 6.779 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.920 5.433 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.718 5.577 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.466 6.211 -1.304 1.00 0.00 H new ATOM 84 N THR A 8 9.670 10.485 -1.157 1.00 0.00 N ATOM 85 CA THR A 8 10.113 11.846 -1.433 1.00 0.00 C ATOM 86 C THR A 8 9.855 12.760 -0.241 1.00 0.00 C ATOM 87 O THR A 8 10.514 13.787 -0.080 1.00 0.00 O ATOM 88 CB THR A 8 9.406 12.426 -2.673 1.00 0.00 C ATOM 89 OG1 THR A 8 9.567 11.541 -3.787 1.00 0.00 O ATOM 90 CG2 THR A 8 9.965 13.797 -3.022 1.00 0.00 C ATOM 0 H THR A 8 8.864 10.185 -1.705 1.00 0.00 H new ATOM 0 HA THR A 8 11.185 11.797 -1.625 1.00 0.00 H new ATOM 0 HB THR A 8 8.346 12.531 -2.444 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.012 10.744 -3.654 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.451 14.187 -3.901 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.814 14.476 -2.183 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.031 13.712 -3.233 1.00 0.00 H new ATOM 98 N SER A 9 8.892 12.380 0.593 1.00 0.00 N ATOM 99 CA SER A 9 8.545 13.168 1.770 1.00 0.00 C ATOM 100 C SER A 9 9.711 13.221 2.752 1.00 0.00 C ATOM 101 O SER A 9 10.128 14.297 3.181 1.00 0.00 O ATOM 102 CB SER A 9 7.311 12.581 2.457 1.00 0.00 C ATOM 103 OG SER A 9 7.341 12.823 3.853 1.00 0.00 O ATOM 0 H SER A 9 8.338 11.531 0.475 1.00 0.00 H new ATOM 0 HA SER A 9 8.322 14.184 1.444 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.409 13.019 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.264 11.508 2.272 1.00 0.00 H new ATOM 0 HG SER A 9 6.541 12.439 4.269 1.00 0.00 H new ATOM 109 N ASP A 10 10.234 12.051 3.103 1.00 0.00 N ATOM 110 CA ASP A 10 11.353 11.963 4.033 1.00 0.00 C ATOM 111 C ASP A 10 12.657 12.372 3.356 1.00 0.00 C ATOM 112 O ASP A 10 13.633 12.719 4.022 1.00 0.00 O ATOM 113 CB ASP A 10 11.475 10.541 4.584 1.00 0.00 C ATOM 114 CG ASP A 10 10.125 9.890 4.811 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.231 10.559 5.371 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.961 8.712 4.430 1.00 0.00 O ATOM 0 H ASP A 10 9.901 11.151 2.757 1.00 0.00 H new ATOM 0 HA ASP A 10 11.162 12.650 4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.056 9.934 3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.026 10.565 5.524 1.00 0.00 H new ATOM 121 N LEU A 11 12.667 12.328 2.028 1.00 0.00 N ATOM 122 CA LEU A 11 13.851 12.694 1.259 1.00 0.00 C ATOM 123 C LEU A 11 14.111 14.195 1.339 1.00 0.00 C ATOM 124 O LEU A 11 15.259 14.636 1.369 1.00 0.00 O ATOM 125 CB LEU A 11 13.686 12.270 -0.202 1.00 0.00 C ATOM 126 CG LEU A 11 13.978 10.802 -0.511 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.342 10.398 -1.833 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.478 10.551 -0.541 1.00 0.00 C ATOM 0 H LEU A 11 11.868 12.042 1.462 1.00 0.00 H new ATOM 0 HA LEU A 11 14.707 12.173 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.664 12.489 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.343 12.887 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 11 13.543 10.191 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.560 9.350 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.263 10.539 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.747 11.015 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.667 9.501 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.935 11.172 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.908 10.800 0.429 1.00 0.00 H new ATOM 140 N SER A 12 13.035 14.975 1.374 1.00 0.00 N ATOM 141 CA SER A 12 13.146 16.427 1.449 1.00 0.00 C ATOM 142 C SER A 12 14.017 16.845 2.629 1.00 0.00 C ATOM 143 O SER A 12 15.029 17.530 2.475 1.00 0.00 O ATOM 144 CB SER A 12 11.758 17.060 1.575 1.00 0.00 C ATOM 145 OG SER A 12 11.214 17.353 0.300 1.00 0.00 O ATOM 0 H SER A 12 12.077 14.626 1.352 1.00 0.00 H new ATOM 0 HA SER A 12 13.616 16.779 0.531 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.093 16.382 2.111 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.824 17.974 2.165 1.00 0.00 H new ATOM 0 HG SER A 12 10.327 17.755 0.407 1.00 0.00 H new ATOM 151 N PRO A 13 13.616 16.424 3.838 1.00 0.00 N ATOM 152 CA PRO A 13 14.346 16.742 5.069 1.00 0.00 C ATOM 153 C PRO A 13 15.686 16.018 5.152 1.00 0.00 C ATOM 154 O PRO A 13 16.599 16.459 5.851 1.00 0.00 O ATOM 155 CB PRO A 13 13.406 16.256 6.175 1.00 0.00 C ATOM 156 CG PRO A 13 12.585 15.191 5.532 1.00 0.00 C ATOM 157 CD PRO A 13 12.421 15.605 4.096 1.00 0.00 C ATOM 0 HA PRO A 13 14.591 17.802 5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.964 15.866 7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.781 17.067 6.548 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.077 14.221 5.605 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.617 15.095 6.023 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.374 14.742 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.504 16.174 3.944 1.00 0.00 H new ATOM 165 N CYS A 14 15.796 14.904 4.436 1.00 0.00 N ATOM 166 CA CYS A 14 17.024 14.118 4.429 1.00 0.00 C ATOM 167 C CYS A 14 18.028 14.687 3.429 1.00 0.00 C ATOM 168 O CYS A 14 19.217 14.368 3.477 1.00 0.00 O ATOM 169 CB CYS A 14 16.718 12.659 4.087 1.00 0.00 C ATOM 170 SG CYS A 14 16.069 11.688 5.485 1.00 0.00 S ATOM 0 H CYS A 14 15.050 14.525 3.853 1.00 0.00 H new ATOM 0 HA CYS A 14 17.463 14.166 5.426 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.994 12.632 3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.628 12.184 3.720 1.00 0.00 H new ATOM 175 N LEU A 15 17.541 15.530 2.525 1.00 0.00 N ATOM 176 CA LEU A 15 18.395 16.143 1.514 1.00 0.00 C ATOM 177 C LEU A 15 19.435 17.053 2.159 1.00 0.00 C ATOM 178 O LEU A 15 20.619 16.999 1.822 1.00 0.00 O ATOM 179 CB LEU A 15 17.549 16.942 0.520 1.00 0.00 C ATOM 180 CG LEU A 15 17.062 16.178 -0.712 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.251 17.090 -1.619 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.240 15.581 -1.469 1.00 0.00 C ATOM 0 H LEU A 15 16.560 15.804 2.472 1.00 0.00 H new ATOM 0 HA LEU A 15 18.915 15.347 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.679 17.334 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.132 17.800 0.184 1.00 0.00 H new ATOM 0 HG LEU A 15 16.418 15.363 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.913 16.529 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.387 17.470 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.871 17.925 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.875 15.041 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.909 16.380 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.781 14.894 -0.818 1.00 0.00 H new ATOM 194 N THR A 16 18.987 17.889 3.091 1.00 0.00 N ATOM 195 CA THR A 16 19.879 18.809 3.785 1.00 0.00 C ATOM 196 C THR A 16 21.095 18.080 4.346 1.00 0.00 C ATOM 197 O THR A 16 22.214 18.590 4.297 1.00 0.00 O ATOM 198 CB THR A 16 19.154 19.535 4.934 1.00 0.00 C ATOM 199 OG1 THR A 16 17.874 19.999 4.491 1.00 0.00 O ATOM 200 CG2 THR A 16 19.979 20.709 5.439 1.00 0.00 C ATOM 0 H THR A 16 18.011 17.947 3.382 1.00 0.00 H new ATOM 0 HA THR A 16 20.208 19.544 3.050 1.00 0.00 H new ATOM 0 HB THR A 16 19.019 18.828 5.753 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.419 20.458 5.228 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.446 21.206 6.250 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.940 20.348 5.804 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.142 21.416 4.625 1.00 0.00 H new ATOM 208 N TYR A 17 20.868 16.884 4.877 1.00 0.00 N ATOM 209 CA TYR A 17 21.945 16.085 5.449 1.00 0.00 C ATOM 210 C TYR A 17 22.665 15.287 4.366 1.00 0.00 C ATOM 211 O TYR A 17 23.875 15.068 4.440 1.00 0.00 O ATOM 212 CB TYR A 17 21.394 15.137 6.516 1.00 0.00 C ATOM 213 CG TYR A 17 22.467 14.477 7.352 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.557 15.203 7.817 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.392 13.128 7.676 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.540 14.605 8.581 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.370 12.522 8.440 1.00 0.00 C ATOM 218 CZ TYR A 17 24.442 13.264 8.890 1.00 0.00 C ATOM 219 OH TYR A 17 25.419 12.663 9.651 1.00 0.00 O ATOM 0 H TYR A 17 19.948 16.446 4.923 1.00 0.00 H new ATOM 0 HA TYR A 17 22.661 16.764 5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.724 15.692 7.172 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.797 14.365 6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.637 16.253 7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.555 12.543 7.324 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.381 15.184 8.934 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.296 11.473 8.684 1.00 0.00 H new ATOM 0 HH TYR A 17 25.199 11.717 9.778 1.00 0.00 H new ATOM 229 N LEU A 18 21.912 14.854 3.361 1.00 0.00 N ATOM 230 CA LEU A 18 22.477 14.080 2.260 1.00 0.00 C ATOM 231 C LEU A 18 23.310 14.968 1.341 1.00 0.00 C ATOM 232 O LEU A 18 23.994 14.480 0.441 1.00 0.00 O ATOM 233 CB LEU A 18 21.361 13.404 1.462 1.00 0.00 C ATOM 234 CG LEU A 18 20.888 12.048 1.986 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.744 11.517 1.136 1.00 0.00 C ATOM 236 CD2 LEU A 18 22.040 11.055 2.013 1.00 0.00 C ATOM 0 H LEU A 18 20.909 15.025 3.285 1.00 0.00 H new ATOM 0 HA LEU A 18 23.128 13.315 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.505 14.078 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.703 13.275 0.435 1.00 0.00 H new ATOM 0 HG LEU A 18 20.525 12.181 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.420 10.551 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.911 12.219 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.080 11.400 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.685 10.096 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.433 10.927 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.829 11.430 2.665 1.00 0.00 H new ATOM 248 N THR A 19 23.249 16.276 1.575 1.00 0.00 N ATOM 249 CA THR A 19 23.998 17.232 0.770 1.00 0.00 C ATOM 250 C THR A 19 25.330 17.579 1.425 1.00 0.00 C ATOM 251 O THR A 19 26.215 18.149 0.790 1.00 0.00 O ATOM 252 CB THR A 19 23.196 18.528 0.546 1.00 0.00 C ATOM 253 OG1 THR A 19 22.442 18.847 1.721 1.00 0.00 O ATOM 254 CG2 THR A 19 22.256 18.384 -0.642 1.00 0.00 C ATOM 0 H THR A 19 22.688 16.697 2.316 1.00 0.00 H new ATOM 0 HA THR A 19 24.183 16.757 -0.193 1.00 0.00 H new ATOM 0 HB THR A 19 23.900 19.333 0.337 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.589 18.366 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.700 19.311 -0.781 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.835 18.170 -1.540 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.558 17.567 -0.457 1.00 0.00 H new ATOM 262 N GLY A 20 25.465 17.230 2.701 1.00 0.00 N ATOM 263 CA GLY A 20 26.693 17.512 3.421 1.00 0.00 C ATOM 264 C GLY A 20 26.496 18.528 4.528 1.00 0.00 C ATOM 265 O GLY A 20 27.457 18.964 5.159 1.00 0.00 O ATOM 0 H GLY A 20 24.746 16.757 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.082 16.587 3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.443 17.882 2.722 1.00 0.00 H new ATOM 269 N GLY A 21 25.243 18.909 4.764 1.00 0.00 N ATOM 270 CA GLY A 21 24.946 19.879 5.801 1.00 0.00 C ATOM 271 C GLY A 21 24.804 19.240 7.169 1.00 0.00 C ATOM 272 O GLY A 21 25.186 18.090 7.383 1.00 0.00 O ATOM 0 H GLY A 21 24.430 18.563 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.739 20.626 5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 21 24.024 20.403 5.551 1.00 0.00 H new ATOM 276 N PRO A 22 24.243 19.997 8.124 1.00 0.00 N ATOM 277 CA PRO A 22 24.040 19.519 9.495 1.00 0.00 C ATOM 278 C PRO A 22 22.964 18.442 9.580 1.00 0.00 C ATOM 279 O PRO A 22 21.927 18.533 8.924 1.00 0.00 O ATOM 280 CB PRO A 22 23.598 20.776 10.247 1.00 0.00 C ATOM 281 CG PRO A 22 22.996 21.651 9.203 1.00 0.00 C ATOM 282 CD PRO A 22 23.765 21.377 7.940 1.00 0.00 C ATOM 0 HA PRO A 22 24.939 19.056 9.902 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.876 20.537 11.027 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.443 21.264 10.733 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.937 21.429 9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 22 23.069 22.702 9.484 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.133 21.469 7.057 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.592 22.075 7.814 1.00 0.00 H new ATOM 290 N GLY A 23 23.217 17.421 10.393 1.00 0.00 N ATOM 291 CA GLY A 23 22.260 16.341 10.549 1.00 0.00 C ATOM 292 C GLY A 23 22.879 15.103 11.166 1.00 0.00 C ATOM 293 O GLY A 23 23.981 15.140 11.714 1.00 0.00 O ATOM 0 H GLY A 23 24.068 17.322 10.947 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.433 16.680 11.173 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.841 16.087 9.575 1.00 0.00 H new ATOM 297 N PRO A 24 22.159 13.973 11.084 1.00 0.00 N ATOM 298 CA PRO A 24 20.846 13.917 10.435 1.00 0.00 C ATOM 299 C PRO A 24 19.775 14.657 11.230 1.00 0.00 C ATOM 300 O PRO A 24 19.705 14.541 12.453 1.00 0.00 O ATOM 301 CB PRO A 24 20.537 12.418 10.389 1.00 0.00 C ATOM 302 CG PRO A 24 21.324 11.835 11.512 1.00 0.00 C ATOM 303 CD PRO A 24 22.573 12.665 11.618 1.00 0.00 C ATOM 0 HA PRO A 24 20.855 14.395 9.455 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.471 12.230 10.513 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.829 11.983 9.433 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.756 11.864 12.442 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.565 10.790 11.318 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.918 12.743 12.649 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.391 12.236 11.040 1.00 0.00 H new ATOM 311 N SER A 25 18.942 15.417 10.526 1.00 0.00 N ATOM 312 CA SER A 25 17.876 16.179 11.166 1.00 0.00 C ATOM 313 C SER A 25 16.870 15.248 11.836 1.00 0.00 C ATOM 314 O SER A 25 16.814 14.050 11.558 1.00 0.00 O ATOM 315 CB SER A 25 17.166 17.064 10.140 1.00 0.00 C ATOM 316 OG SER A 25 16.031 16.409 9.601 1.00 0.00 O ATOM 0 H SER A 25 18.985 15.521 9.512 1.00 0.00 H new ATOM 0 HA SER A 25 18.324 16.812 11.932 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.861 17.999 10.610 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.857 17.322 9.337 1.00 0.00 H new ATOM 0 HG SER A 25 15.594 16.996 8.949 1.00 0.00 H new ATOM 322 N PRO A 26 16.054 15.811 12.739 1.00 0.00 N ATOM 323 CA PRO A 26 15.034 15.051 13.467 1.00 0.00 C ATOM 324 C PRO A 26 13.888 14.607 12.565 1.00 0.00 C ATOM 325 O PRO A 26 13.408 13.478 12.667 1.00 0.00 O ATOM 326 CB PRO A 26 14.533 16.045 14.518 1.00 0.00 C ATOM 327 CG PRO A 26 14.809 17.386 13.932 1.00 0.00 C ATOM 328 CD PRO A 26 16.065 17.234 13.120 1.00 0.00 C ATOM 0 HA PRO A 26 15.436 14.130 13.889 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.469 15.910 14.715 1.00 0.00 H new ATOM 0 HB3 PRO A 26 15.052 15.913 15.467 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.979 17.717 13.308 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.938 18.134 14.714 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.059 17.884 12.245 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.952 17.488 13.700 1.00 0.00 H new ATOM 336 N GLN A 27 13.456 15.501 11.682 1.00 0.00 N ATOM 337 CA GLN A 27 12.365 15.200 10.762 1.00 0.00 C ATOM 338 C GLN A 27 12.771 14.111 9.774 1.00 0.00 C ATOM 339 O GLN A 27 11.954 13.276 9.384 1.00 0.00 O ATOM 340 CB GLN A 27 11.946 16.461 10.005 1.00 0.00 C ATOM 341 CG GLN A 27 11.045 17.383 10.810 1.00 0.00 C ATOM 342 CD GLN A 27 11.406 18.846 10.642 1.00 0.00 C ATOM 343 OE1 GLN A 27 10.612 19.640 10.137 1.00 0.00 O ATOM 344 NE2 GLN A 27 12.611 19.210 11.066 1.00 0.00 N ATOM 0 H GLN A 27 13.844 16.439 11.584 1.00 0.00 H new ATOM 0 HA GLN A 27 11.519 14.838 11.347 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.840 17.009 9.707 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.430 16.171 9.090 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.010 17.231 10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.108 17.116 11.865 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.237 18.518 11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.910 20.181 10.979 1.00 0.00 H new ATOM 353 N CYS A 28 14.038 14.125 9.374 1.00 0.00 N ATOM 354 CA CYS A 28 14.553 13.140 8.431 1.00 0.00 C ATOM 355 C CYS A 28 14.532 11.741 9.040 1.00 0.00 C ATOM 356 O CYS A 28 14.011 10.799 8.442 1.00 0.00 O ATOM 357 CB CYS A 28 15.978 13.503 8.009 1.00 0.00 C ATOM 358 SG CYS A 28 16.880 12.148 7.190 1.00 0.00 S ATOM 0 H CYS A 28 14.727 14.808 9.689 1.00 0.00 H new ATOM 0 HA CYS A 28 13.909 13.144 7.552 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.939 14.359 7.335 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.537 13.817 8.890 1.00 0.00 H new ATOM 363 N CYS A 29 15.102 11.613 10.234 1.00 0.00 N ATOM 364 CA CYS A 29 15.149 10.330 10.925 1.00 0.00 C ATOM 365 C CYS A 29 13.760 9.704 11.005 1.00 0.00 C ATOM 366 O CYS A 29 13.577 8.531 10.681 1.00 0.00 O ATOM 367 CB CYS A 29 15.723 10.507 12.332 1.00 0.00 C ATOM 368 SG CYS A 29 17.532 10.723 12.376 1.00 0.00 S ATOM 0 H CYS A 29 15.538 12.382 10.743 1.00 0.00 H new ATOM 0 HA CYS A 29 15.796 9.662 10.357 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.253 11.373 12.798 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.457 9.638 12.933 1.00 0.00 H new ATOM 373 N GLY A 30 12.784 10.495 11.440 1.00 0.00 N ATOM 374 CA GLY A 30 11.425 10.001 11.555 1.00 0.00 C ATOM 375 C GLY A 30 10.903 9.429 10.252 1.00 0.00 C ATOM 376 O GLY A 30 10.299 8.358 10.233 1.00 0.00 O ATOM 0 H GLY A 30 12.911 11.469 11.715 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.385 9.233 12.327 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.773 10.812 11.879 1.00 0.00 H new ATOM 380 N GLY A 31 11.136 10.147 9.157 1.00 0.00 N ATOM 381 CA GLY A 31 10.677 9.690 7.859 1.00 0.00 C ATOM 382 C GLY A 31 11.418 8.456 7.384 1.00 0.00 C ATOM 383 O GLY A 31 10.821 7.550 6.801 1.00 0.00 O ATOM 0 H GLY A 31 11.634 11.037 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.610 9.472 7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.804 10.490 7.130 1.00 0.00 H new ATOM 387 N VAL A 32 12.723 8.419 7.631 1.00 0.00 N ATOM 388 CA VAL A 32 13.547 7.287 7.224 1.00 0.00 C ATOM 389 C VAL A 32 13.003 5.980 7.790 1.00 0.00 C ATOM 390 O VAL A 32 12.709 5.043 7.047 1.00 0.00 O ATOM 391 CB VAL A 32 15.007 7.462 7.680 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.846 6.264 7.261 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.589 8.752 7.121 1.00 0.00 C ATOM 0 H VAL A 32 13.233 9.160 8.111 1.00 0.00 H new ATOM 0 HA VAL A 32 13.517 7.249 6.135 1.00 0.00 H new ATOM 0 HB VAL A 32 15.024 7.524 8.768 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.875 6.406 7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.441 5.359 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.825 6.167 6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.621 8.859 7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.560 8.722 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.003 9.600 7.477 1.00 0.00 H new ATOM 403 N LYS A 33 12.870 5.923 9.111 1.00 0.00 N ATOM 404 CA LYS A 33 12.359 4.732 9.779 1.00 0.00 C ATOM 405 C LYS A 33 10.971 4.371 9.260 1.00 0.00 C ATOM 406 O LYS A 33 10.550 3.216 9.336 1.00 0.00 O ATOM 407 CB LYS A 33 12.309 4.953 11.292 1.00 0.00 C ATOM 408 CG LYS A 33 13.656 4.796 11.975 1.00 0.00 C ATOM 409 CD LYS A 33 13.581 5.162 13.448 1.00 0.00 C ATOM 410 CE LYS A 33 14.277 4.124 14.316 1.00 0.00 C ATOM 411 NZ LYS A 33 13.881 4.244 15.747 1.00 0.00 N ATOM 0 H LYS A 33 13.109 6.689 9.741 1.00 0.00 H new ATOM 0 HA LYS A 33 13.035 3.905 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.924 5.953 11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.604 4.247 11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.999 3.767 11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.392 5.429 11.479 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.041 6.137 13.606 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.537 5.250 13.750 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.033 3.125 13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.357 4.241 14.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.376 3.520 16.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.136 5.188 16.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.854 4.107 15.836 1.00 0.00 H new ATOM 425 N LYS A 34 10.264 5.365 8.733 1.00 0.00 N ATOM 426 CA LYS A 34 8.924 5.152 8.199 1.00 0.00 C ATOM 427 C LYS A 34 8.980 4.396 6.875 1.00 0.00 C ATOM 428 O LYS A 34 8.162 3.511 6.619 1.00 0.00 O ATOM 429 CB LYS A 34 8.213 6.493 8.003 1.00 0.00 C ATOM 430 CG LYS A 34 6.699 6.394 8.075 1.00 0.00 C ATOM 431 CD LYS A 34 6.034 7.169 6.950 1.00 0.00 C ATOM 432 CE LYS A 34 4.615 6.682 6.700 1.00 0.00 C ATOM 433 NZ LYS A 34 4.096 7.140 5.382 1.00 0.00 N ATOM 0 H LYS A 34 10.597 6.327 8.664 1.00 0.00 H new ATOM 0 HA LYS A 34 8.364 4.552 8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.560 7.193 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.496 6.907 7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.399 5.347 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.354 6.777 9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.017 8.230 7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.622 7.064 6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.592 5.593 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.962 7.044 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.127 6.788 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.094 8.180 5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.705 6.773 4.623 1.00 0.00 H new ATOM 447 N LEU A 35 9.949 4.748 6.038 1.00 0.00 N ATOM 448 CA LEU A 35 10.112 4.101 4.741 1.00 0.00 C ATOM 449 C LEU A 35 10.487 2.632 4.908 1.00 0.00 C ATOM 450 O LEU A 35 10.028 1.773 4.154 1.00 0.00 O ATOM 451 CB LEU A 35 11.183 4.822 3.920 1.00 0.00 C ATOM 452 CG LEU A 35 11.221 4.491 2.428 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.944 5.585 1.657 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.888 3.143 2.197 1.00 0.00 C ATOM 0 H LEU A 35 10.634 5.478 6.234 1.00 0.00 H new ATOM 0 HA LEU A 35 9.160 4.156 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.034 5.896 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.158 4.590 4.348 1.00 0.00 H new ATOM 0 HG LEU A 35 10.196 4.434 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.961 5.332 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.424 6.533 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.966 5.675 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.906 2.924 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.909 3.172 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.328 2.366 2.717 1.00 0.00 H new ATOM 466 N LEU A 36 11.322 2.349 5.902 1.00 0.00 N ATOM 467 CA LEU A 36 11.757 0.983 6.171 1.00 0.00 C ATOM 468 C LEU A 36 10.633 0.168 6.803 1.00 0.00 C ATOM 469 O LEU A 36 10.444 -1.004 6.478 1.00 0.00 O ATOM 470 CB LEU A 36 12.979 0.988 7.091 1.00 0.00 C ATOM 471 CG LEU A 36 14.335 1.160 6.406 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.298 1.913 7.310 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.912 -0.193 6.017 1.00 0.00 C ATOM 0 H LEU A 36 11.711 3.048 6.535 1.00 0.00 H new ATOM 0 HA LEU A 36 12.027 0.520 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.858 1.791 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.993 0.052 7.649 1.00 0.00 H new ATOM 0 HG LEU A 36 14.190 1.745 5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.258 2.026 6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.889 2.898 7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.438 1.356 8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.877 -0.051 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 36 15.042 -0.803 6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.230 -0.695 5.331 1.00 0.00 H new ATOM 485 N ALA A 37 9.888 0.798 7.706 1.00 0.00 N ATOM 486 CA ALA A 37 8.780 0.133 8.380 1.00 0.00 C ATOM 487 C ALA A 37 7.581 -0.017 7.450 1.00 0.00 C ATOM 488 O ALA A 37 6.738 -0.891 7.644 1.00 0.00 O ATOM 489 CB ALA A 37 8.386 0.902 9.632 1.00 0.00 C ATOM 0 H ALA A 37 10.032 1.768 7.987 1.00 0.00 H new ATOM 0 HA ALA A 37 9.110 -0.865 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.557 0.394 10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.237 0.952 10.311 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.081 1.912 9.358 1.00 0.00 H new ATOM 495 N ALA A 38 7.512 0.843 6.439 1.00 0.00 N ATOM 496 CA ALA A 38 6.417 0.806 5.478 1.00 0.00 C ATOM 497 C ALA A 38 6.620 -0.308 4.456 1.00 0.00 C ATOM 498 O ALA A 38 5.686 -0.702 3.759 1.00 0.00 O ATOM 499 CB ALA A 38 6.284 2.150 4.776 1.00 0.00 C ATOM 0 H ALA A 38 8.202 1.574 6.265 1.00 0.00 H new ATOM 0 HA ALA A 38 5.496 0.600 6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.462 2.107 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.084 2.927 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.211 2.379 4.250 1.00 0.00 H new ATOM 505 N ALA A 39 7.848 -0.811 4.373 1.00 0.00 N ATOM 506 CA ALA A 39 8.173 -1.880 3.437 1.00 0.00 C ATOM 507 C ALA A 39 8.794 -3.071 4.159 1.00 0.00 C ATOM 508 O ALA A 39 9.904 -2.983 4.682 1.00 0.00 O ATOM 509 CB ALA A 39 9.113 -1.368 2.356 1.00 0.00 C ATOM 0 H ALA A 39 8.633 -0.495 4.942 1.00 0.00 H new ATOM 0 HA ALA A 39 7.247 -2.214 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.347 -2.177 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.634 -0.554 1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.033 -1.006 2.815 1.00 0.00 H new ATOM 515 N ASN A 40 8.069 -4.185 4.186 1.00 0.00 N ATOM 516 CA ASN A 40 8.548 -5.394 4.846 1.00 0.00 C ATOM 517 C ASN A 40 8.882 -6.476 3.823 1.00 0.00 C ATOM 518 O ASN A 40 9.868 -7.199 3.967 1.00 0.00 O ATOM 519 CB ASN A 40 7.498 -5.913 5.830 1.00 0.00 C ATOM 520 CG ASN A 40 8.080 -6.890 6.833 1.00 0.00 C ATOM 521 OD1 ASN A 40 7.758 -8.079 6.817 1.00 0.00 O ATOM 522 ND2 ASN A 40 8.941 -6.392 7.713 1.00 0.00 N ATOM 0 H ASN A 40 7.147 -4.275 3.758 1.00 0.00 H new ATOM 0 HA ASN A 40 9.457 -5.144 5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.055 -5.071 6.362 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.695 -6.399 5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.365 -7.001 8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.179 -5.400 7.689 1.00 0.00 H new ATOM 529 N THR A 41 8.054 -6.580 2.788 1.00 0.00 N ATOM 530 CA THR A 41 8.260 -7.573 1.742 1.00 0.00 C ATOM 531 C THR A 41 9.229 -7.062 0.682 1.00 0.00 C ATOM 532 O THR A 41 9.832 -6.000 0.837 1.00 0.00 O ATOM 533 CB THR A 41 6.932 -7.959 1.064 1.00 0.00 C ATOM 534 OG1 THR A 41 6.417 -6.845 0.325 1.00 0.00 O ATOM 535 CG2 THR A 41 5.907 -8.406 2.095 1.00 0.00 C ATOM 0 H THR A 41 7.234 -5.988 2.652 1.00 0.00 H new ATOM 0 HA THR A 41 8.683 -8.455 2.223 1.00 0.00 H new ATOM 0 HB THR A 41 7.125 -8.788 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.574 -7.099 -0.104 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.978 -8.673 1.592 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.289 -9.272 2.636 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.719 -7.594 2.797 1.00 0.00 H new ATOM 543 N THR A 42 9.374 -7.825 -0.398 1.00 0.00 N ATOM 544 CA THR A 42 10.271 -7.449 -1.484 1.00 0.00 C ATOM 545 C THR A 42 9.630 -6.403 -2.389 1.00 0.00 C ATOM 546 O THR A 42 10.222 -5.370 -2.700 1.00 0.00 O ATOM 547 CB THR A 42 10.669 -8.671 -2.332 1.00 0.00 C ATOM 548 OG1 THR A 42 10.618 -9.859 -1.534 1.00 0.00 O ATOM 549 CG2 THR A 42 12.067 -8.500 -2.906 1.00 0.00 C ATOM 0 H THR A 42 8.882 -8.706 -0.543 1.00 0.00 H new ATOM 0 HA THR A 42 11.165 -7.029 -1.024 1.00 0.00 H new ATOM 0 HB THR A 42 9.963 -8.757 -3.158 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.871 -10.632 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.326 -9.376 -3.501 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.095 -7.612 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.784 -8.390 -2.092 1.00 0.00 H new ATOM 557 N PRO A 43 8.389 -6.675 -2.822 1.00 0.00 N ATOM 558 CA PRO A 43 7.640 -5.768 -3.697 1.00 0.00 C ATOM 559 C PRO A 43 7.673 -4.326 -3.202 1.00 0.00 C ATOM 560 O PRO A 43 7.978 -3.406 -3.961 1.00 0.00 O ATOM 561 CB PRO A 43 6.214 -6.320 -3.643 1.00 0.00 C ATOM 562 CG PRO A 43 6.379 -7.764 -3.316 1.00 0.00 C ATOM 563 CD PRO A 43 7.623 -7.887 -2.490 1.00 0.00 C ATOM 0 HA PRO A 43 8.060 -5.732 -4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.620 -5.808 -2.886 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.701 -6.186 -4.595 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.514 -8.136 -2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.460 -8.359 -4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.393 -7.935 -1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.179 -8.791 -2.737 1.00 0.00 H new ATOM 571 N ASP A 44 7.356 -4.137 -1.926 1.00 0.00 N ATOM 572 CA ASP A 44 7.351 -2.806 -1.329 1.00 0.00 C ATOM 573 C ASP A 44 8.756 -2.212 -1.313 1.00 0.00 C ATOM 574 O ASP A 44 8.947 -1.036 -1.626 1.00 0.00 O ATOM 575 CB ASP A 44 6.792 -2.864 0.094 1.00 0.00 C ATOM 576 CG ASP A 44 5.290 -2.665 0.134 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.630 -2.923 -0.894 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.774 -2.251 1.194 1.00 0.00 O ATOM 0 H ASP A 44 7.099 -4.888 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 44 6.712 -2.165 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.040 -3.827 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.273 -2.098 0.702 1.00 0.00 H new ATOM 583 N ARG A 45 9.735 -3.031 -0.945 1.00 0.00 N ATOM 584 CA ARG A 45 11.122 -2.586 -0.886 1.00 0.00 C ATOM 585 C ARG A 45 11.632 -2.208 -2.274 1.00 0.00 C ATOM 586 O ARG A 45 12.535 -1.384 -2.410 1.00 0.00 O ATOM 587 CB ARG A 45 12.007 -3.681 -0.287 1.00 0.00 C ATOM 588 CG ARG A 45 12.135 -3.600 1.225 1.00 0.00 C ATOM 589 CD ARG A 45 12.679 -4.896 1.808 1.00 0.00 C ATOM 590 NE ARG A 45 12.420 -5.002 3.241 1.00 0.00 N ATOM 591 CZ ARG A 45 12.814 -6.030 3.985 1.00 0.00 C ATOM 592 NH1 ARG A 45 13.482 -7.034 3.434 1.00 0.00 N ATOM 593 NH2 ARG A 45 12.541 -6.054 5.283 1.00 0.00 N ATOM 0 H ARG A 45 9.594 -4.007 -0.683 1.00 0.00 H new ATOM 0 HA ARG A 45 11.166 -1.703 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.599 -4.655 -0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.000 -3.617 -0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.795 -2.774 1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.161 -3.383 1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.225 -5.743 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.753 -4.952 1.628 1.00 0.00 H new ATOM 0 HE ARG A 45 11.909 -4.246 3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.695 -7.019 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.783 -7.822 4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.028 -5.283 5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.844 -6.844 5.853 1.00 0.00 H new ATOM 607 N GLN A 46 11.045 -2.817 -3.300 1.00 0.00 N ATOM 608 CA GLN A 46 11.441 -2.545 -4.676 1.00 0.00 C ATOM 609 C GLN A 46 11.018 -1.141 -5.098 1.00 0.00 C ATOM 610 O GLN A 46 11.829 -0.360 -5.594 1.00 0.00 O ATOM 611 CB GLN A 46 10.827 -3.580 -5.620 1.00 0.00 C ATOM 612 CG GLN A 46 11.708 -4.799 -5.841 1.00 0.00 C ATOM 613 CD GLN A 46 11.115 -5.775 -6.839 1.00 0.00 C ATOM 614 OE1 GLN A 46 10.063 -5.518 -7.425 1.00 0.00 O ATOM 615 NE2 GLN A 46 11.788 -6.902 -7.037 1.00 0.00 N ATOM 0 H GLN A 46 10.295 -3.501 -3.204 1.00 0.00 H new ATOM 0 HA GLN A 46 12.528 -2.610 -4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.868 -3.904 -5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.626 -3.108 -6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.688 -4.476 -6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.863 -5.308 -4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.656 -7.074 -6.529 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.437 -7.596 -7.697 1.00 0.00 H new ATOM 624 N ALA A 47 9.742 -0.829 -4.896 1.00 0.00 N ATOM 625 CA ALA A 47 9.211 0.481 -5.254 1.00 0.00 C ATOM 626 C ALA A 47 10.010 1.597 -4.590 1.00 0.00 C ATOM 627 O ALA A 47 10.546 2.476 -5.265 1.00 0.00 O ATOM 628 CB ALA A 47 7.742 0.579 -4.867 1.00 0.00 C ATOM 0 H ALA A 47 9.057 -1.465 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 47 9.300 0.599 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.359 1.562 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.175 -0.190 -5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.639 0.435 -3.791 1.00 0.00 H new ATOM 634 N ALA A 48 10.086 1.557 -3.264 1.00 0.00 N ATOM 635 CA ALA A 48 10.821 2.564 -2.510 1.00 0.00 C ATOM 636 C ALA A 48 12.238 2.729 -3.049 1.00 0.00 C ATOM 637 O ALA A 48 12.654 3.832 -3.403 1.00 0.00 O ATOM 638 CB ALA A 48 10.855 2.197 -1.033 1.00 0.00 C ATOM 0 H ALA A 48 9.647 0.837 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 48 10.304 3.517 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.407 2.958 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.837 2.138 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.346 1.232 -0.909 1.00 0.00 H new ATOM 644 N CYS A 49 12.975 1.625 -3.109 1.00 0.00 N ATOM 645 CA CYS A 49 14.346 1.646 -3.604 1.00 0.00 C ATOM 646 C CYS A 49 14.437 2.414 -4.920 1.00 0.00 C ATOM 647 O CYS A 49 15.290 3.285 -5.083 1.00 0.00 O ATOM 648 CB CYS A 49 14.862 0.219 -3.797 1.00 0.00 C ATOM 649 SG CYS A 49 15.681 -0.481 -2.328 1.00 0.00 S ATOM 0 H CYS A 49 12.645 0.704 -2.821 1.00 0.00 H new ATOM 0 HA CYS A 49 14.966 2.153 -2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.026 -0.424 -4.075 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.564 0.208 -4.631 1.00 0.00 H new ATOM 654 N ASN A 50 13.552 2.083 -5.854 1.00 0.00 N ATOM 655 CA ASN A 50 13.532 2.742 -7.156 1.00 0.00 C ATOM 656 C ASN A 50 13.366 4.250 -7.000 1.00 0.00 C ATOM 657 O ASN A 50 14.098 5.033 -7.606 1.00 0.00 O ATOM 658 CB ASN A 50 12.401 2.179 -8.018 1.00 0.00 C ATOM 659 CG ASN A 50 12.450 0.666 -8.120 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.522 0.064 -8.076 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.284 0.045 -8.258 1.00 0.00 N ATOM 0 H ASN A 50 12.839 1.363 -5.735 1.00 0.00 H new ATOM 0 HA ASN A 50 14.485 2.549 -7.648 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.442 2.481 -7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.460 2.610 -9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.253 -0.972 -8.332 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.419 0.585 -8.290 1.00 0.00 H new ATOM 668 N CYS A 51 12.397 4.652 -6.183 1.00 0.00 N ATOM 669 CA CYS A 51 12.133 6.066 -5.947 1.00 0.00 C ATOM 670 C CYS A 51 13.315 6.730 -5.248 1.00 0.00 C ATOM 671 O CYS A 51 13.568 7.922 -5.428 1.00 0.00 O ATOM 672 CB CYS A 51 10.867 6.235 -5.104 1.00 0.00 C ATOM 673 SG CYS A 51 9.318 6.051 -6.044 1.00 0.00 S ATOM 0 H CYS A 51 11.782 4.018 -5.674 1.00 0.00 H new ATOM 0 HA CYS A 51 11.986 6.550 -6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.880 5.501 -4.298 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.882 7.221 -4.639 1.00 0.00 H new ATOM 678 N LEU A 52 14.038 5.952 -4.450 1.00 0.00 N ATOM 679 CA LEU A 52 15.194 6.464 -3.723 1.00 0.00 C ATOM 680 C LEU A 52 16.377 6.677 -4.663 1.00 0.00 C ATOM 681 O LEU A 52 16.912 7.781 -4.764 1.00 0.00 O ATOM 682 CB LEU A 52 15.586 5.498 -2.603 1.00 0.00 C ATOM 683 CG LEU A 52 14.923 5.740 -1.247 1.00 0.00 C ATOM 684 CD1 LEU A 52 15.283 4.629 -0.272 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.329 7.095 -0.688 1.00 0.00 C ATOM 0 H LEU A 52 13.844 4.964 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 52 14.922 7.425 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.349 4.484 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.667 5.546 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 52 13.842 5.737 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.802 4.818 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.941 3.673 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.364 4.600 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.847 7.249 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.411 7.127 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.020 7.881 -1.378 1.00 0.00 H new ATOM 697 N LYS A 53 16.779 5.614 -5.351 1.00 0.00 N ATOM 698 CA LYS A 53 17.895 5.684 -6.285 1.00 0.00 C ATOM 699 C LYS A 53 17.720 6.846 -7.257 1.00 0.00 C ATOM 700 O LYS A 53 18.673 7.564 -7.561 1.00 0.00 O ATOM 701 CB LYS A 53 18.021 4.371 -7.062 1.00 0.00 C ATOM 702 CG LYS A 53 19.447 4.035 -7.462 1.00 0.00 C ATOM 703 CD LYS A 53 19.650 2.534 -7.592 1.00 0.00 C ATOM 704 CE LYS A 53 18.789 1.948 -8.700 1.00 0.00 C ATOM 705 NZ LYS A 53 18.951 2.692 -9.980 1.00 0.00 N ATOM 0 H LYS A 53 16.347 4.693 -5.279 1.00 0.00 H new ATOM 0 HA LYS A 53 18.806 5.848 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.622 3.559 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.405 4.429 -7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.684 4.519 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.138 4.434 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.700 2.324 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.407 2.050 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.055 0.902 -8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 53 17.742 1.970 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.834 2.037 -10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.233 3.442 -10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.899 3.118 -10.017 1.00 0.00 H new ATOM 719 N SER A 54 16.495 7.028 -7.740 1.00 0.00 N ATOM 720 CA SER A 54 16.195 8.102 -8.679 1.00 0.00 C ATOM 721 C SER A 54 16.143 9.449 -7.965 1.00 0.00 C ATOM 722 O SER A 54 16.397 10.493 -8.565 1.00 0.00 O ATOM 723 CB SER A 54 14.864 7.835 -9.385 1.00 0.00 C ATOM 724 OG SER A 54 14.375 9.008 -10.013 1.00 0.00 O ATOM 0 H SER A 54 15.694 6.445 -7.496 1.00 0.00 H new ATOM 0 HA SER A 54 16.992 8.134 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.994 7.048 -10.128 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.132 7.473 -8.663 1.00 0.00 H new ATOM 0 HG SER A 54 13.525 8.810 -10.458 1.00 0.00 H new ATOM 730 N ALA A 55 15.812 9.417 -6.678 1.00 0.00 N ATOM 731 CA ALA A 55 15.728 10.634 -5.880 1.00 0.00 C ATOM 732 C ALA A 55 17.116 11.189 -5.577 1.00 0.00 C ATOM 733 O ALA A 55 17.387 12.367 -5.804 1.00 0.00 O ATOM 734 CB ALA A 55 14.971 10.367 -4.588 1.00 0.00 C ATOM 0 H ALA A 55 15.598 8.561 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 55 15.185 11.381 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.916 11.285 -4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.963 10.024 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.491 9.600 -4.013 1.00 0.00 H new ATOM 740 N ALA A 56 17.992 10.331 -5.064 1.00 0.00 N ATOM 741 CA ALA A 56 19.352 10.735 -4.731 1.00 0.00 C ATOM 742 C ALA A 56 20.132 11.120 -5.984 1.00 0.00 C ATOM 743 O ALA A 56 21.195 11.734 -5.901 1.00 0.00 O ATOM 744 CB ALA A 56 20.067 9.618 -3.984 1.00 0.00 C ATOM 0 H ALA A 56 17.784 9.352 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 56 19.297 11.611 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.082 9.934 -3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.528 9.392 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.104 8.727 -4.611 1.00 0.00 H new ATOM 750 N GLY A 57 19.597 10.754 -7.145 1.00 0.00 N ATOM 751 CA GLY A 57 20.257 11.070 -8.398 1.00 0.00 C ATOM 752 C GLY A 57 20.440 12.561 -8.598 1.00 0.00 C ATOM 753 O GLY A 57 21.246 12.989 -9.424 1.00 0.00 O ATOM 0 H GLY A 57 18.719 10.244 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.231 10.581 -8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 57 19.673 10.665 -9.225 1.00 0.00 H new ATOM 757 N SER A 58 19.688 13.354 -7.842 1.00 0.00 N ATOM 758 CA SER A 58 19.766 14.807 -7.944 1.00 0.00 C ATOM 759 C SER A 58 20.777 15.368 -6.947 1.00 0.00 C ATOM 760 O SER A 58 20.965 16.581 -6.855 1.00 0.00 O ATOM 761 CB SER A 58 18.391 15.432 -7.700 1.00 0.00 C ATOM 762 OG SER A 58 17.941 15.175 -6.381 1.00 0.00 O ATOM 0 H SER A 58 19.018 13.015 -7.152 1.00 0.00 H new ATOM 0 HA SER A 58 20.097 15.058 -8.952 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.442 16.508 -7.867 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.674 15.032 -8.417 1.00 0.00 H new ATOM 0 HG SER A 58 17.717 14.225 -6.291 1.00 0.00 H new ATOM 768 N ILE A 59 21.423 14.476 -6.204 1.00 0.00 N ATOM 769 CA ILE A 59 22.414 14.881 -5.215 1.00 0.00 C ATOM 770 C ILE A 59 23.780 15.091 -5.861 1.00 0.00 C ATOM 771 O ILE A 59 24.390 14.151 -6.371 1.00 0.00 O ATOM 772 CB ILE A 59 22.546 13.837 -4.090 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.176 13.542 -3.476 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.516 14.326 -3.026 1.00 0.00 C ATOM 775 CD1 ILE A 59 21.224 12.535 -2.348 1.00 0.00 C ATOM 0 H ILE A 59 21.278 13.468 -6.268 1.00 0.00 H new ATOM 0 HA ILE A 59 22.068 15.822 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 59 22.939 12.913 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.746 14.472 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.510 13.171 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.599 13.578 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.496 14.490 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.150 15.261 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.218 12.374 -1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.625 11.592 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.864 12.912 -1.550 1.00 0.00 H new ATOM 787 N THR A 60 24.256 16.332 -5.833 1.00 0.00 N ATOM 788 CA THR A 60 25.550 16.667 -6.414 1.00 0.00 C ATOM 789 C THR A 60 26.692 16.186 -5.527 1.00 0.00 C ATOM 790 O THR A 60 26.785 16.560 -4.358 1.00 0.00 O ATOM 791 CB THR A 60 25.691 18.185 -6.634 1.00 0.00 C ATOM 792 OG1 THR A 60 27.010 18.493 -7.098 1.00 0.00 O ATOM 793 CG2 THR A 60 25.410 18.947 -5.347 1.00 0.00 C ATOM 0 H THR A 60 23.765 17.122 -5.414 1.00 0.00 H new ATOM 0 HA THR A 60 25.604 16.161 -7.378 1.00 0.00 H new ATOM 0 HB THR A 60 24.962 18.490 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 60 27.091 19.460 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.516 20.017 -5.527 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.395 18.734 -5.012 1.00 0.00 H new ATOM 0 HG23 THR A 60 26.118 18.637 -4.579 1.00 0.00 H new ATOM 801 N LYS A 61 27.562 15.353 -6.090 1.00 0.00 N ATOM 802 CA LYS A 61 28.700 14.821 -5.351 1.00 0.00 C ATOM 803 C LYS A 61 28.238 14.057 -4.114 1.00 0.00 C ATOM 804 O LYS A 61 28.693 14.324 -3.001 1.00 0.00 O ATOM 805 CB LYS A 61 29.643 15.954 -4.941 1.00 0.00 C ATOM 806 CG LYS A 61 30.592 16.386 -6.046 1.00 0.00 C ATOM 807 CD LYS A 61 31.942 16.806 -5.489 1.00 0.00 C ATOM 808 CE LYS A 61 32.861 15.610 -5.294 1.00 0.00 C ATOM 809 NZ LYS A 61 34.283 16.022 -5.140 1.00 0.00 N ATOM 0 H LYS A 61 27.500 15.032 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 61 29.234 14.130 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.050 16.813 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.226 15.635 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.728 15.566 -6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.153 17.215 -6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.410 17.519 -6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.801 17.317 -4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.547 15.051 -4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.768 14.938 -6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 34.877 15.178 -5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.591 16.533 -5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 34.377 16.643 -4.311 1.00 0.00 H new ATOM 823 N LEU A 62 27.332 13.106 -4.316 1.00 0.00 N ATOM 824 CA LEU A 62 26.809 12.303 -3.217 1.00 0.00 C ATOM 825 C LEU A 62 27.944 11.712 -2.386 1.00 0.00 C ATOM 826 O LEU A 62 28.955 11.266 -2.926 1.00 0.00 O ATOM 827 CB LEU A 62 25.920 11.181 -3.757 1.00 0.00 C ATOM 828 CG LEU A 62 25.430 10.159 -2.730 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.097 10.592 -2.141 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.313 8.781 -3.364 1.00 0.00 C ATOM 0 H LEU A 62 26.945 12.873 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 62 26.214 12.953 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.050 11.632 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.471 10.650 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 62 26.160 10.105 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.764 9.853 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.213 11.558 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.357 10.676 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.963 8.066 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.604 8.820 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.288 8.468 -3.737 1.00 0.00 H new ATOM 842 N ASN A 63 27.767 11.711 -1.068 1.00 0.00 N ATOM 843 CA ASN A 63 28.776 11.173 -0.163 1.00 0.00 C ATOM 844 C ASN A 63 28.338 9.824 0.400 1.00 0.00 C ATOM 845 O ASN A 63 27.496 9.756 1.296 1.00 0.00 O ATOM 846 CB ASN A 63 29.039 12.155 0.981 1.00 0.00 C ATOM 847 CG ASN A 63 30.460 12.066 1.503 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.923 10.997 1.900 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.161 13.195 1.506 1.00 0.00 N ATOM 0 H ASN A 63 26.935 12.076 -0.604 1.00 0.00 H new ATOM 0 HA ASN A 63 29.697 11.029 -0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.844 13.171 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.342 11.955 1.795 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.122 13.197 1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.738 14.059 1.168 1.00 0.00 H new ATOM 856 N THR A 64 28.916 8.752 -0.131 1.00 0.00 N ATOM 857 CA THR A 64 28.587 7.405 0.317 1.00 0.00 C ATOM 858 C THR A 64 28.741 7.274 1.827 1.00 0.00 C ATOM 859 O THR A 64 27.961 6.585 2.483 1.00 0.00 O ATOM 860 CB THR A 64 29.474 6.351 -0.372 1.00 0.00 C ATOM 861 OG1 THR A 64 30.843 6.772 -0.348 1.00 0.00 O ATOM 862 CG2 THR A 64 29.032 6.126 -1.810 1.00 0.00 C ATOM 0 H THR A 64 29.615 8.790 -0.873 1.00 0.00 H new ATOM 0 HA THR A 64 27.547 7.227 0.045 1.00 0.00 H new ATOM 0 HB THR A 64 29.373 5.412 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.401 6.096 -0.786 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.674 5.378 -2.275 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.999 5.777 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 64 29.106 7.062 -2.364 1.00 0.00 H new ATOM 870 N ASN A 65 29.752 7.942 2.374 1.00 0.00 N ATOM 871 CA ASN A 65 30.009 7.900 3.809 1.00 0.00 C ATOM 872 C ASN A 65 28.868 8.552 4.585 1.00 0.00 C ATOM 873 O ASN A 65 28.390 8.008 5.579 1.00 0.00 O ATOM 874 CB ASN A 65 31.328 8.604 4.133 1.00 0.00 C ATOM 875 CG ASN A 65 32.534 7.830 3.635 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.680 7.590 2.437 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.405 7.435 4.556 1.00 0.00 N ATOM 0 H ASN A 65 30.406 8.519 1.845 1.00 0.00 H new ATOM 0 HA ASN A 65 30.079 6.855 4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.326 9.597 3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.408 8.742 5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 65 34.235 6.910 4.281 1.00 0.00 H new ATOM 0 HD22 ASN A 65 33.244 7.656 5.539 1.00 0.00 H new ATOM 884 N ASN A 66 28.437 9.721 4.121 1.00 0.00 N ATOM 885 CA ASN A 66 27.352 10.447 4.771 1.00 0.00 C ATOM 886 C ASN A 66 26.034 9.690 4.638 1.00 0.00 C ATOM 887 O ASN A 66 25.233 9.650 5.571 1.00 0.00 O ATOM 888 CB ASN A 66 27.213 11.846 4.166 1.00 0.00 C ATOM 889 CG ASN A 66 28.517 12.620 4.195 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.499 12.181 4.793 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.530 13.779 3.547 1.00 0.00 N ATOM 0 H ASN A 66 28.822 10.185 3.298 1.00 0.00 H new ATOM 0 HA ASN A 66 27.592 10.538 5.830 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.867 11.761 3.136 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.451 12.402 4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.378 14.345 3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.692 14.103 3.065 1.00 0.00 H new ATOM 898 N ALA A 67 25.817 9.091 3.472 1.00 0.00 N ATOM 899 CA ALA A 67 24.598 8.333 3.217 1.00 0.00 C ATOM 900 C ALA A 67 24.440 7.195 4.220 1.00 0.00 C ATOM 901 O ALA A 67 23.334 6.908 4.678 1.00 0.00 O ATOM 902 CB ALA A 67 24.602 7.790 1.796 1.00 0.00 C ATOM 0 H ALA A 67 26.470 9.116 2.689 1.00 0.00 H new ATOM 0 HA ALA A 67 23.749 9.006 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.686 7.226 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.660 8.618 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.463 7.136 1.659 1.00 0.00 H new ATOM 908 N ALA A 68 25.552 6.550 4.556 1.00 0.00 N ATOM 909 CA ALA A 68 25.536 5.444 5.506 1.00 0.00 C ATOM 910 C ALA A 68 25.403 5.952 6.938 1.00 0.00 C ATOM 911 O ALA A 68 24.886 5.253 7.808 1.00 0.00 O ATOM 912 CB ALA A 68 26.795 4.603 5.357 1.00 0.00 C ATOM 0 H ALA A 68 26.475 6.774 4.185 1.00 0.00 H new ATOM 0 HA ALA A 68 24.668 4.822 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.770 3.781 6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.847 4.202 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.671 5.223 5.547 1.00 0.00 H new ATOM 918 N ALA A 69 25.874 7.172 7.174 1.00 0.00 N ATOM 919 CA ALA A 69 25.806 7.773 8.500 1.00 0.00 C ATOM 920 C ALA A 69 24.382 8.201 8.837 1.00 0.00 C ATOM 921 O ALA A 69 24.011 8.296 10.007 1.00 0.00 O ATOM 922 CB ALA A 69 26.752 8.962 8.590 1.00 0.00 C ATOM 0 H ALA A 69 26.307 7.763 6.464 1.00 0.00 H new ATOM 0 HA ALA A 69 26.113 7.022 9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.691 9.401 9.586 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.773 8.630 8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.471 9.708 7.847 1.00 0.00 H new ATOM 928 N LEU A 70 23.588 8.460 7.804 1.00 0.00 N ATOM 929 CA LEU A 70 22.203 8.879 7.990 1.00 0.00 C ATOM 930 C LEU A 70 21.421 7.838 8.784 1.00 0.00 C ATOM 931 O LEU A 70 20.849 8.124 9.836 1.00 0.00 O ATOM 932 CB LEU A 70 21.533 9.112 6.634 1.00 0.00 C ATOM 933 CG LEU A 70 20.015 8.931 6.595 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.343 9.840 7.613 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.481 9.205 5.197 1.00 0.00 C ATOM 0 H LEU A 70 23.879 8.387 6.829 1.00 0.00 H new ATOM 0 HA LEU A 70 22.204 9.812 8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.767 10.125 6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.979 8.431 5.909 1.00 0.00 H new ATOM 0 HG LEU A 70 19.784 7.898 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.263 9.698 7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.703 9.595 8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.581 10.879 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.399 9.071 5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.723 10.228 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.938 8.512 4.491 1.00 0.00 H new ATOM 947 N PRO A 71 21.395 6.599 8.271 1.00 0.00 N ATOM 948 CA PRO A 71 20.689 5.489 8.918 1.00 0.00 C ATOM 949 C PRO A 71 21.366 5.045 10.210 1.00 0.00 C ATOM 950 O PRO A 71 20.699 4.720 11.192 1.00 0.00 O ATOM 951 CB PRO A 71 20.749 4.373 7.872 1.00 0.00 C ATOM 952 CG PRO A 71 21.954 4.686 7.053 1.00 0.00 C ATOM 953 CD PRO A 71 22.054 6.186 7.021 1.00 0.00 C ATOM 0 HA PRO A 71 19.676 5.765 9.209 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.834 3.393 8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.848 4.356 7.259 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.849 4.244 7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.858 4.280 6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 71 23.091 6.519 6.985 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.555 6.603 6.147 1.00 0.00 H new ATOM 961 N GLY A 72 22.695 5.035 10.203 1.00 0.00 N ATOM 962 CA GLY A 72 23.440 4.631 11.381 1.00 0.00 C ATOM 963 C GLY A 72 23.273 5.600 12.534 1.00 0.00 C ATOM 964 O GLY A 72 23.215 5.193 13.695 1.00 0.00 O ATOM 0 H GLY A 72 23.269 5.299 9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.111 3.640 11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.497 4.551 11.128 1.00 0.00 H new ATOM 968 N LYS A 73 23.198 6.888 12.216 1.00 0.00 N ATOM 969 CA LYS A 73 23.038 7.920 13.234 1.00 0.00 C ATOM 970 C LYS A 73 21.598 7.970 13.735 1.00 0.00 C ATOM 971 O LYS A 73 21.342 8.345 14.880 1.00 0.00 O ATOM 972 CB LYS A 73 23.441 9.285 12.673 1.00 0.00 C ATOM 973 CG LYS A 73 24.940 9.448 12.487 1.00 0.00 C ATOM 974 CD LYS A 73 25.497 10.543 13.381 1.00 0.00 C ATOM 975 CE LYS A 73 26.730 11.190 12.768 1.00 0.00 C ATOM 976 NZ LYS A 73 27.276 12.273 13.632 1.00 0.00 N ATOM 0 H LYS A 73 23.245 7.242 11.261 1.00 0.00 H new ATOM 0 HA LYS A 73 23.688 7.672 14.073 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.946 9.435 11.713 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.080 10.065 13.343 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.440 8.505 12.710 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.155 9.684 11.445 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.732 11.301 13.549 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.750 10.125 14.355 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.497 10.432 12.608 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.477 11.599 11.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.115 12.688 13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.554 13.009 13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.541 11.879 14.557 1.00 0.00 H new ATOM 990 N CYS A 74 20.662 7.589 12.873 1.00 0.00 N ATOM 991 CA CYS A 74 19.248 7.590 13.228 1.00 0.00 C ATOM 992 C CYS A 74 18.874 6.311 13.971 1.00 0.00 C ATOM 993 O CYS A 74 17.714 6.103 14.325 1.00 0.00 O ATOM 994 CB CYS A 74 18.385 7.735 11.973 1.00 0.00 C ATOM 995 SG CYS A 74 18.430 9.397 11.229 1.00 0.00 S ATOM 0 H CYS A 74 20.857 7.275 11.922 1.00 0.00 H new ATOM 0 HA CYS A 74 19.065 8.439 13.886 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.715 7.007 11.232 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.353 7.488 12.224 1.00 0.00 H new ATOM 1000 N GLY A 75 19.865 5.456 14.203 1.00 0.00 N ATOM 1001 CA GLY A 75 19.620 4.208 14.902 1.00 0.00 C ATOM 1002 C GLY A 75 18.777 3.244 14.090 1.00 0.00 C ATOM 1003 O GLY A 75 18.208 2.297 14.633 1.00 0.00 O ATOM 0 H GLY A 75 20.833 5.605 13.919 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.573 3.737 15.144 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.119 4.417 15.847 1.00 0.00 H new ATOM 1007 N VAL A 76 18.695 3.486 12.786 1.00 0.00 N ATOM 1008 CA VAL A 76 17.915 2.633 11.897 1.00 0.00 C ATOM 1009 C VAL A 76 18.746 2.177 10.704 1.00 0.00 C ATOM 1010 O VAL A 76 19.234 2.995 9.925 1.00 0.00 O ATOM 1011 CB VAL A 76 16.656 3.358 11.385 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.031 4.674 10.721 1.00 0.00 C ATOM 1013 CG2 VAL A 76 15.883 2.468 10.424 1.00 0.00 C ATOM 0 H VAL A 76 19.159 4.266 12.321 1.00 0.00 H new ATOM 0 HA VAL A 76 17.612 1.762 12.479 1.00 0.00 H new ATOM 0 HB VAL A 76 16.013 3.579 12.237 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.129 5.172 10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.539 5.314 11.443 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.695 4.480 9.878 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.997 2.996 10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.516 2.215 9.574 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.581 1.555 10.937 1.00 0.00 H new ATOM 1023 N ASN A 77 18.904 0.864 10.566 1.00 0.00 N ATOM 1024 CA ASN A 77 19.677 0.298 9.467 1.00 0.00 C ATOM 1025 C ASN A 77 18.762 -0.137 8.326 1.00 0.00 C ATOM 1026 O ASN A 77 17.591 -0.452 8.542 1.00 0.00 O ATOM 1027 CB ASN A 77 20.502 -0.894 9.957 1.00 0.00 C ATOM 1028 CG ASN A 77 21.871 -0.480 10.461 1.00 0.00 C ATOM 1029 OD1 ASN A 77 22.039 0.608 11.012 1.00 0.00 O ATOM 1030 ND2 ASN A 77 22.858 -1.350 10.274 1.00 0.00 N ATOM 0 H ASN A 77 18.507 0.173 11.202 1.00 0.00 H new ATOM 0 HA ASN A 77 20.351 1.069 9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 77 19.962 -1.403 10.756 1.00 0.00 H new ATOM 0 HB3 ASN A 77 20.618 -1.611 9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 77 23.801 -1.127 10.592 1.00 0.00 H new ATOM 0 HD22 ASN A 77 22.672 -2.240 9.812 1.00 0.00 H new ATOM 1037 N ILE A 78 19.304 -0.152 7.113 1.00 0.00 N ATOM 1038 CA ILE A 78 18.537 -0.551 5.939 1.00 0.00 C ATOM 1039 C ILE A 78 19.041 -1.876 5.377 1.00 0.00 C ATOM 1040 O ILE A 78 20.205 -2.244 5.537 1.00 0.00 O ATOM 1041 CB ILE A 78 18.602 0.521 4.835 1.00 0.00 C ATOM 1042 CG1 ILE A 78 20.043 0.994 4.637 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.696 1.693 5.181 1.00 0.00 C ATOM 1044 CD1 ILE A 78 20.421 2.164 5.518 1.00 0.00 C ATOM 0 H ILE A 78 20.271 0.107 6.917 1.00 0.00 H new ATOM 0 HA ILE A 78 17.502 -0.667 6.261 1.00 0.00 H new ATOM 0 HB ILE A 78 18.253 0.081 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.720 0.164 4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 78 20.185 1.275 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.753 2.442 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.668 1.343 5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 78 18.017 2.135 6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 78 21.456 2.446 5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 78 19.768 3.009 5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 78 20.312 1.881 6.565 1.00 0.00 H new ATOM 1056 N PRO A 79 18.146 -2.610 4.700 1.00 0.00 N ATOM 1057 CA PRO A 79 18.477 -3.904 4.098 1.00 0.00 C ATOM 1058 C PRO A 79 19.413 -3.765 2.902 1.00 0.00 C ATOM 1059 O PRO A 79 20.159 -4.688 2.575 1.00 0.00 O ATOM 1060 CB PRO A 79 17.116 -4.447 3.652 1.00 0.00 C ATOM 1061 CG PRO A 79 16.273 -3.235 3.452 1.00 0.00 C ATOM 1062 CD PRO A 79 16.741 -2.232 4.470 1.00 0.00 C ATOM 0 HA PRO A 79 19.003 -4.555 4.796 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.202 -5.026 2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 79 16.687 -5.108 4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 79 16.384 -2.845 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.217 -3.467 3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 79 16.655 -1.211 4.097 1.00 0.00 H new ATOM 0 HD3 PRO A 79 16.155 -2.287 5.387 1.00 0.00 H new ATOM 1070 N TYR A 80 19.367 -2.607 2.253 1.00 0.00 N ATOM 1071 CA TYR A 80 20.210 -2.347 1.092 1.00 0.00 C ATOM 1072 C TYR A 80 21.037 -1.081 1.291 1.00 0.00 C ATOM 1073 O TYR A 80 21.082 -0.519 2.385 1.00 0.00 O ATOM 1074 CB TYR A 80 19.353 -2.218 -0.168 1.00 0.00 C ATOM 1075 CG TYR A 80 18.242 -3.241 -0.253 1.00 0.00 C ATOM 1076 CD1 TYR A 80 18.522 -4.580 -0.492 1.00 0.00 C ATOM 1077 CD2 TYR A 80 16.914 -2.867 -0.093 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.511 -5.518 -0.571 1.00 0.00 C ATOM 1079 CE2 TYR A 80 15.896 -3.798 -0.169 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.200 -5.122 -0.409 1.00 0.00 C ATOM 1081 OH TYR A 80 15.189 -6.054 -0.485 1.00 0.00 O ATOM 0 H TYR A 80 18.755 -1.833 2.511 1.00 0.00 H new ATOM 0 HA TYR A 80 20.892 -3.189 0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 80 18.919 -1.219 -0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 80 19.994 -2.316 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.548 -4.893 -0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 80 16.673 -1.831 0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.746 -6.555 -0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.868 -3.491 -0.041 1.00 0.00 H new ATOM 0 HH TYR A 80 15.523 -6.924 -0.183 1.00 0.00 H new ATOM 1091 N LYS A 81 21.691 -0.635 0.223 1.00 0.00 N ATOM 1092 CA LYS A 81 22.515 0.566 0.276 1.00 0.00 C ATOM 1093 C LYS A 81 21.803 1.744 -0.380 1.00 0.00 C ATOM 1094 O LYS A 81 20.715 1.592 -0.937 1.00 0.00 O ATOM 1095 CB LYS A 81 23.858 0.318 -0.415 1.00 0.00 C ATOM 1096 CG LYS A 81 24.518 -0.989 -0.012 1.00 0.00 C ATOM 1097 CD LYS A 81 24.818 -1.026 1.478 1.00 0.00 C ATOM 1098 CE LYS A 81 25.511 -2.321 1.874 1.00 0.00 C ATOM 1099 NZ LYS A 81 26.069 -2.252 3.253 1.00 0.00 N ATOM 0 H LYS A 81 21.666 -1.088 -0.690 1.00 0.00 H new ATOM 0 HA LYS A 81 22.692 0.810 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 81 23.708 0.321 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 81 24.533 1.142 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 81 23.866 -1.823 -0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.443 -1.119 -0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.449 -0.178 1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 81 23.890 -0.922 2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 81 24.802 -3.147 1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 81 26.313 -2.534 1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 26.533 -3.153 3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 26.764 -1.480 3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 25.300 -2.074 3.930 1.00 0.00 H new ATOM 1113 N ILE A 82 22.424 2.917 -0.313 1.00 0.00 N ATOM 1114 CA ILE A 82 21.850 4.120 -0.903 1.00 0.00 C ATOM 1115 C ILE A 82 22.863 4.832 -1.793 1.00 0.00 C ATOM 1116 O ILE A 82 23.672 5.628 -1.316 1.00 0.00 O ATOM 1117 CB ILE A 82 21.357 5.098 0.179 1.00 0.00 C ATOM 1118 CG1 ILE A 82 20.421 4.382 1.156 1.00 0.00 C ATOM 1119 CG2 ILE A 82 20.654 6.286 -0.462 1.00 0.00 C ATOM 1120 CD1 ILE A 82 21.141 3.746 2.325 1.00 0.00 C ATOM 0 H ILE A 82 23.325 3.060 0.144 1.00 0.00 H new ATOM 0 HA ILE A 82 21.000 3.801 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 82 22.219 5.467 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 82 19.689 5.096 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 82 19.867 3.612 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.311 6.969 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.348 6.807 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 82 19.799 5.935 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.416 3.257 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 82 21.853 3.008 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 82 21.673 4.514 2.886 1.00 0.00 H new ATOM 1132 N SER A 83 22.811 4.542 -3.089 1.00 0.00 N ATOM 1133 CA SER A 83 23.726 5.153 -4.047 1.00 0.00 C ATOM 1134 C SER A 83 23.245 4.928 -5.477 1.00 0.00 C ATOM 1135 O SER A 83 22.179 4.354 -5.704 1.00 0.00 O ATOM 1136 CB SER A 83 25.135 4.583 -3.874 1.00 0.00 C ATOM 1137 OG SER A 83 25.785 5.159 -2.754 1.00 0.00 O ATOM 0 H SER A 83 22.145 3.888 -3.500 1.00 0.00 H new ATOM 0 HA SER A 83 23.751 6.226 -3.855 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.080 3.501 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.720 4.771 -4.774 1.00 0.00 H new ATOM 0 HG SER A 83 25.134 5.662 -2.221 1.00 0.00 H new ATOM 1143 N THR A 84 24.040 5.384 -6.440 1.00 0.00 N ATOM 1144 CA THR A 84 23.697 5.234 -7.849 1.00 0.00 C ATOM 1145 C THR A 84 24.041 3.837 -8.353 1.00 0.00 C ATOM 1146 O THR A 84 23.829 3.518 -9.523 1.00 0.00 O ATOM 1147 CB THR A 84 24.427 6.276 -8.718 1.00 0.00 C ATOM 1148 OG1 THR A 84 25.817 6.312 -8.376 1.00 0.00 O ATOM 1149 CG2 THR A 84 23.817 7.657 -8.534 1.00 0.00 C ATOM 0 H THR A 84 24.926 5.860 -6.270 1.00 0.00 H new ATOM 0 HA THR A 84 22.622 5.392 -7.932 1.00 0.00 H new ATOM 0 HB THR A 84 24.319 5.985 -9.763 1.00 0.00 H new ATOM 0 HG1 THR A 84 26.274 6.975 -8.934 1.00 0.00 H new ATOM 0 HG21 THR A 84 24.349 8.376 -9.157 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.767 7.632 -8.824 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.898 7.954 -7.488 1.00 0.00 H new ATOM 1157 N THR A 85 24.573 3.006 -7.462 1.00 0.00 N ATOM 1158 CA THR A 85 24.947 1.643 -7.817 1.00 0.00 C ATOM 1159 C THR A 85 24.290 0.632 -6.884 1.00 0.00 C ATOM 1160 O THR A 85 24.957 -0.244 -6.332 1.00 0.00 O ATOM 1161 CB THR A 85 26.474 1.450 -7.772 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.953 1.636 -6.435 1.00 0.00 O ATOM 1163 CG2 THR A 85 27.172 2.427 -8.706 1.00 0.00 C ATOM 0 H THR A 85 24.754 3.253 -6.489 1.00 0.00 H new ATOM 0 HA THR A 85 24.597 1.474 -8.835 1.00 0.00 H new ATOM 0 HB THR A 85 26.698 0.435 -8.100 1.00 0.00 H new ATOM 0 HG1 THR A 85 26.546 0.967 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 85 28.250 2.271 -8.656 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.828 2.263 -9.727 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.939 3.448 -8.404 1.00 0.00 H new ATOM 1171 N THR A 86 22.978 0.758 -6.711 1.00 0.00 N ATOM 1172 CA THR A 86 22.231 -0.144 -5.843 1.00 0.00 C ATOM 1173 C THR A 86 21.132 -0.864 -6.616 1.00 0.00 C ATOM 1174 O THR A 86 20.420 -0.255 -7.413 1.00 0.00 O ATOM 1175 CB THR A 86 21.601 0.610 -4.658 1.00 0.00 C ATOM 1176 OG1 THR A 86 22.627 1.108 -3.792 1.00 0.00 O ATOM 1177 CG2 THR A 86 20.665 -0.298 -3.874 1.00 0.00 C ATOM 0 H THR A 86 22.411 1.476 -7.161 1.00 0.00 H new ATOM 0 HA THR A 86 22.942 -0.876 -5.460 1.00 0.00 H new ATOM 0 HB THR A 86 21.024 1.445 -5.054 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.218 1.588 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 86 20.232 0.257 -3.042 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.868 -0.651 -4.528 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.224 -1.151 -3.489 1.00 0.00 H new ATOM 1185 N ASN A 87 20.999 -2.164 -6.373 1.00 0.00 N ATOM 1186 CA ASN A 87 19.984 -2.967 -7.046 1.00 0.00 C ATOM 1187 C ASN A 87 19.225 -3.834 -6.046 1.00 0.00 C ATOM 1188 O ASN A 87 19.663 -4.932 -5.702 1.00 0.00 O ATOM 1189 CB ASN A 87 20.630 -3.850 -8.116 1.00 0.00 C ATOM 1190 CG ASN A 87 19.694 -4.132 -9.275 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.489 -3.897 -9.186 1.00 0.00 O ATOM 1192 ND2 ASN A 87 20.246 -4.639 -10.371 1.00 0.00 N ATOM 0 H ASN A 87 21.581 -2.684 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 87 19.276 -2.289 -7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.531 -3.363 -8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 87 20.941 -4.793 -7.666 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.666 -4.850 -11.183 1.00 0.00 H new ATOM 0 HD22 ASN A 87 21.250 -4.818 -10.401 1.00 0.00 H new ATOM 1199 N CYS A 88 18.084 -3.334 -5.584 1.00 0.00 N ATOM 1200 CA CYS A 88 17.263 -4.062 -4.624 1.00 0.00 C ATOM 1201 C CYS A 88 16.422 -5.125 -5.325 1.00 0.00 C ATOM 1202 O CYS A 88 15.833 -5.990 -4.678 1.00 0.00 O ATOM 1203 CB CYS A 88 16.353 -3.095 -3.864 1.00 0.00 C ATOM 1204 SG CYS A 88 17.204 -1.612 -3.236 1.00 0.00 S ATOM 0 H CYS A 88 17.707 -2.427 -5.859 1.00 0.00 H new ATOM 0 HA CYS A 88 17.927 -4.558 -3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 88 15.541 -2.784 -4.522 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.899 -3.623 -3.025 1.00 0.00 H new ATOM 1209 N ASN A 89 16.371 -5.053 -6.651 1.00 0.00 N ATOM 1210 CA ASN A 89 15.602 -6.009 -7.439 1.00 0.00 C ATOM 1211 C ASN A 89 16.374 -7.314 -7.617 1.00 0.00 C ATOM 1212 O ASN A 89 15.788 -8.397 -7.636 1.00 0.00 O ATOM 1213 CB ASN A 89 15.260 -5.416 -8.807 1.00 0.00 C ATOM 1214 CG ASN A 89 14.034 -6.058 -9.426 1.00 0.00 C ATOM 1215 OD1 ASN A 89 13.736 -7.225 -9.172 1.00 0.00 O ATOM 1216 ND2 ASN A 89 13.316 -5.296 -10.243 1.00 0.00 N ATOM 0 H ASN A 89 16.853 -4.343 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 89 14.678 -6.224 -6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 89 15.092 -4.344 -8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 89 16.110 -5.542 -9.477 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.480 -5.673 -10.689 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.601 -4.334 -10.425 1.00 0.00 H new ATOM 1223 N THR A 90 17.692 -7.202 -7.745 1.00 0.00 N ATOM 1224 CA THR A 90 18.544 -8.371 -7.921 1.00 0.00 C ATOM 1225 C THR A 90 19.109 -8.846 -6.587 1.00 0.00 C ATOM 1226 O THR A 90 20.292 -9.168 -6.482 1.00 0.00 O ATOM 1227 CB THR A 90 19.711 -8.076 -8.883 1.00 0.00 C ATOM 1228 OG1 THR A 90 20.264 -6.786 -8.601 1.00 0.00 O ATOM 1229 CG2 THR A 90 19.245 -8.128 -10.331 1.00 0.00 C ATOM 0 H THR A 90 18.193 -6.313 -7.730 1.00 0.00 H new ATOM 0 HA THR A 90 17.919 -9.155 -8.348 1.00 0.00 H new ATOM 0 HB THR A 90 20.476 -8.839 -8.736 1.00 0.00 H new ATOM 0 HG1 THR A 90 21.021 -6.882 -7.986 1.00 0.00 H new ATOM 0 HG21 THR A 90 20.086 -7.917 -10.992 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.851 -9.120 -10.551 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.464 -7.384 -10.489 1.00 0.00 H new ATOM 1237 N VAL A 91 18.254 -8.889 -5.570 1.00 0.00 N ATOM 1238 CA VAL A 91 18.667 -9.328 -4.242 1.00 0.00 C ATOM 1239 C VAL A 91 18.373 -10.809 -4.036 1.00 0.00 C ATOM 1240 O VAL A 91 17.228 -11.248 -4.146 1.00 0.00 O ATOM 1241 CB VAL A 91 17.962 -8.517 -3.139 1.00 0.00 C ATOM 1242 CG1 VAL A 91 18.365 -9.024 -1.763 1.00 0.00 C ATOM 1243 CG2 VAL A 91 18.276 -7.035 -3.284 1.00 0.00 C ATOM 0 H VAL A 91 17.271 -8.625 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 91 19.742 -9.162 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 91 16.885 -8.649 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.857 -8.439 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 91 18.084 -10.073 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 91 19.443 -8.924 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.770 -6.477 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.352 -6.881 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 91 17.931 -6.684 -4.257 1.00 0.00 H new ATOM 1253 N LYS A 92 19.415 -11.577 -3.736 1.00 0.00 N ATOM 1254 CA LYS A 92 19.270 -13.011 -3.512 1.00 0.00 C ATOM 1255 C LYS A 92 19.245 -13.328 -2.020 1.00 0.00 C ATOM 1256 O LYS A 92 20.234 -13.124 -1.315 1.00 0.00 O ATOM 1257 CB LYS A 92 20.413 -13.772 -4.187 1.00 0.00 C ATOM 1258 CG LYS A 92 20.147 -14.100 -5.646 1.00 0.00 C ATOM 1259 CD LYS A 92 21.243 -13.559 -6.548 1.00 0.00 C ATOM 1260 CE LYS A 92 21.419 -14.420 -7.790 1.00 0.00 C ATOM 1261 NZ LYS A 92 22.125 -13.687 -8.877 1.00 0.00 N ATOM 0 H LYS A 92 20.370 -11.230 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 92 18.323 -13.328 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.325 -13.179 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 92 20.593 -14.699 -3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 92 20.073 -15.180 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 92 19.187 -13.679 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.002 -12.538 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.182 -13.518 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 92 21.981 -15.318 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.442 -14.747 -8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 22.225 -14.307 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 21.576 -12.844 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.067 -13.397 -8.545 1.00 0.00 H new ATOM 1275 N PHE A 93 18.110 -13.830 -1.546 1.00 0.00 N ATOM 1276 CA PHE A 93 17.957 -14.177 -0.137 1.00 0.00 C ATOM 1277 C PHE A 93 18.340 -13.001 0.757 1.00 0.00 C ATOM 1278 O PHE A 93 19.488 -12.881 1.182 1.00 0.00 O ATOM 1279 CB PHE A 93 18.817 -15.395 0.206 1.00 0.00 C ATOM 1280 CG PHE A 93 18.104 -16.704 0.019 1.00 0.00 C ATOM 1281 CD1 PHE A 93 17.159 -17.131 0.937 1.00 0.00 C ATOM 1282 CD2 PHE A 93 18.381 -17.508 -1.075 1.00 0.00 C ATOM 1283 CE1 PHE A 93 16.501 -18.335 0.768 1.00 0.00 C ATOM 1284 CE2 PHE A 93 17.726 -18.712 -1.250 1.00 0.00 C ATOM 1285 CZ PHE A 93 16.786 -19.127 -0.327 1.00 0.00 C ATOM 0 H PHE A 93 17.283 -14.006 -2.116 1.00 0.00 H new ATOM 0 HA PHE A 93 16.909 -14.419 0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 93 19.711 -15.385 -0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 93 19.149 -15.316 1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 93 16.933 -16.516 1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 93 19.117 -17.190 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.765 -18.656 1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 93 17.949 -19.328 -2.108 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.275 -20.069 -0.461 1.00 0.00 H new TER 1295 PHE A 93