USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 695 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0913 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0.0378 (180deg=0.027) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 74:sc= 0.74 USER MOD Single : A 38 HIS : no HD1:sc= -0.549 K(o=-0.55,f=-0.038) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 45 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 46 HIS : no HE2:sc= 0.497 K(o=0.5,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= 0.475 (180deg=0.306) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0528) USER MOD Single : A 53 SER OG : rot 98:sc= 1.23 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 82:sc= -1.03 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 58 GLN : amide:sc=-0.00891 X(o=-0.0089,f=0) USER MOD Single : A 62 MET CE :methyl 170:sc= 0 (180deg=-0.108) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 64 SER OG : rot -74:sc= 1.25 USER MOD Single : A 72 GLN : amide:sc=-0.00261 K(o=-0.0026,f=-0.77) USER MOD Single : A 77 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.58) USER MOD Single : A 78 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.47) USER MOD Single : A 79 THR OG1 : rot -170:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -179:sc= 0 (180deg=-0.000626) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 58 N GLU A 8 -7.500 11.770 18.325 1.00 25.00 N ATOM 59 CA GLU A 8 -7.363 12.980 17.518 1.00 25.00 C ATOM 60 C GLU A 8 -5.953 12.986 16.932 1.00 25.00 C ATOM 61 O GLU A 8 -4.993 12.603 17.607 1.00 25.00 O ATOM 62 CB GLU A 8 -7.554 14.241 18.371 1.00 25.00 C ATOM 63 CG GLU A 8 -8.964 14.410 18.918 1.00 25.00 C ATOM 64 CD GLU A 8 -9.143 15.694 19.713 1.00 25.00 C ATOM 65 OE1 GLU A 8 -8.955 16.805 19.162 1.00 25.00 O ATOM 66 OE2 GLU A 8 -9.533 15.620 20.900 1.00 25.00 O ATOM 0 HA GLU A 8 -8.123 12.983 16.737 1.00 25.00 H new ATOM 0 HB2 GLU A 8 -6.853 14.213 19.205 1.00 25.00 H new ATOM 0 HB3 GLU A 8 -7.301 15.115 17.771 1.00 25.00 H new ATOM 0 HG2 GLU A 8 -9.673 14.400 18.090 1.00 25.00 H new ATOM 0 HG3 GLU A 8 -9.205 13.559 19.554 1.00 25.00 H new ATOM 73 N ALA A 9 -5.807 13.443 15.696 1.00 25.00 N ATOM 74 CA ALA A 9 -4.482 13.632 15.112 1.00 25.00 C ATOM 75 C ALA A 9 -3.817 14.830 15.800 1.00 25.00 C ATOM 76 O ALA A 9 -2.595 14.881 15.978 1.00 25.00 O ATOM 77 CB ALA A 9 -4.607 13.871 13.606 1.00 25.00 C ATOM 0 H ALA A 9 -6.582 13.689 15.080 1.00 25.00 H new ATOM 0 HA ALA A 9 -3.871 12.742 15.261 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -3.615 14.011 13.176 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -5.086 13.010 13.140 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -5.209 14.762 13.428 1.00 25.00 H new ATOM 83 N LYS A 10 -4.647 15.786 16.195 1.00 25.00 N ATOM 84 CA LYS A 10 -4.218 16.972 16.935 1.00 25.00 C ATOM 85 C LYS A 10 -3.750 16.602 18.351 1.00 25.00 C ATOM 86 O LYS A 10 -4.503 15.955 19.098 1.00 25.00 O ATOM 87 CB LYS A 10 -5.413 17.927 17.006 1.00 25.00 C ATOM 88 CG LYS A 10 -5.131 19.271 17.639 1.00 25.00 C ATOM 89 CD LYS A 10 -6.385 20.125 17.615 1.00 25.00 C ATOM 90 CE LYS A 10 -6.131 21.467 18.275 1.00 25.00 C ATOM 91 NZ LYS A 10 -7.391 22.267 18.368 1.00 25.00 N ATOM 0 H LYS A 10 -5.650 15.762 16.010 1.00 25.00 H new ATOM 0 HA LYS A 10 -3.375 17.442 16.429 1.00 25.00 H new ATOM 0 HB2 LYS A 10 -5.786 18.091 15.995 1.00 25.00 H new ATOM 0 HB3 LYS A 10 -6.212 17.441 17.566 1.00 25.00 H new ATOM 0 HG2 LYS A 10 -4.792 19.135 18.666 1.00 25.00 H new ATOM 0 HG3 LYS A 10 -4.327 19.774 17.102 1.00 25.00 H new ATOM 0 HD2 LYS A 10 -6.709 20.276 16.585 1.00 25.00 H new ATOM 0 HD3 LYS A 10 -7.194 19.607 18.131 1.00 25.00 H new ATOM 0 HE2 LYS A 10 -5.719 21.313 19.273 1.00 25.00 H new ATOM 0 HE3 LYS A 10 -5.386 22.021 17.705 1.00 25.00 H new ATOM 0 HZ1 LYS A 10 -7.190 23.180 18.823 1.00 25.00 H new ATOM 0 HZ2 LYS A 10 -7.769 22.432 17.413 1.00 25.00 H new ATOM 0 HZ3 LYS A 10 -8.092 21.746 18.932 1.00 25.00 H new ATOM 105 N PRO A 11 -2.522 16.982 18.752 1.00 25.00 N ATOM 106 CA PRO A 11 -2.146 16.645 20.131 1.00 25.00 C ATOM 107 C PRO A 11 -2.858 17.513 21.175 1.00 25.00 C ATOM 108 O PRO A 11 -3.240 18.658 20.899 1.00 25.00 O ATOM 109 CB PRO A 11 -0.635 16.897 20.130 1.00 25.00 C ATOM 110 CG PRO A 11 -0.453 17.999 19.167 1.00 25.00 C ATOM 111 CD PRO A 11 -1.423 17.683 18.060 1.00 25.00 C ATOM 0 HA PRO A 11 -2.428 15.628 20.405 1.00 25.00 H new ATOM 0 HB2 PRO A 11 -0.276 17.172 21.122 1.00 25.00 H new ATOM 0 HB3 PRO A 11 -0.083 16.007 19.826 1.00 25.00 H new ATOM 0 HG2 PRO A 11 -0.669 18.966 19.622 1.00 25.00 H new ATOM 0 HG3 PRO A 11 0.572 18.041 18.799 1.00 25.00 H new ATOM 0 HD2 PRO A 11 -1.774 18.588 17.564 1.00 25.00 H new ATOM 0 HD3 PRO A 11 -0.967 17.056 17.294 1.00 25.00 H new ATOM 119 N SER A 12 -3.031 16.988 22.381 1.00 25.00 N ATOM 120 CA SER A 12 -3.661 17.736 23.473 1.00 25.00 C ATOM 121 C SER A 12 -2.680 18.704 24.121 1.00 25.00 C ATOM 122 O SER A 12 -3.073 19.606 24.862 1.00 25.00 O ATOM 123 CB SER A 12 -4.149 16.767 24.548 1.00 25.00 C ATOM 124 OG SER A 12 -3.044 16.091 25.123 1.00 25.00 O ATOM 0 H SER A 12 -2.744 16.042 22.633 1.00 25.00 H new ATOM 0 HA SER A 12 -4.493 18.298 23.049 1.00 25.00 H new ATOM 0 HB2 SER A 12 -4.696 17.310 25.319 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.842 16.046 24.113 1.00 25.00 H new ATOM 0 HG SER A 12 -3.362 15.472 25.813 1.00 25.00 H new ATOM 130 N THR A 13 -1.396 18.481 23.850 1.00 25.00 N ATOM 131 CA THR A 13 -0.248 19.228 24.392 1.00 25.00 C ATOM 132 C THR A 13 -0.016 18.936 25.874 1.00 25.00 C ATOM 133 O THR A 13 0.891 19.476 26.501 1.00 25.00 O ATOM 134 CB THR A 13 -0.314 20.763 24.147 1.00 25.00 C ATOM 135 OG1 THR A 13 -1.280 21.050 23.132 1.00 25.00 O ATOM 136 CG2 THR A 13 1.012 21.303 23.650 1.00 25.00 C ATOM 0 H THR A 13 -1.106 17.738 23.214 1.00 25.00 H new ATOM 0 HA THR A 13 0.607 18.860 23.825 1.00 25.00 H new ATOM 0 HB THR A 13 -0.575 21.227 25.098 1.00 25.00 H new ATOM 0 HG1 THR A 13 -1.319 22.018 22.982 1.00 25.00 H new ATOM 0 HG21 THR A 13 0.930 22.378 23.489 1.00 25.00 H new ATOM 0 HG22 THR A 13 1.786 21.105 24.391 1.00 25.00 H new ATOM 0 HG23 THR A 13 1.275 20.815 22.711 1.00 25.00 H new ATOM 144 N GLU A 14 -0.795 18.017 26.425 1.00 25.00 N ATOM 145 CA GLU A 14 -0.645 17.595 27.820 1.00 25.00 C ATOM 146 C GLU A 14 0.455 16.541 27.926 1.00 25.00 C ATOM 147 O GLU A 14 0.848 16.118 29.021 1.00 25.00 O ATOM 148 CB GLU A 14 -1.963 17.004 28.330 1.00 25.00 C ATOM 149 CG GLU A 14 -3.127 17.983 28.274 1.00 25.00 C ATOM 150 CD GLU A 14 -4.388 17.411 28.890 1.00 25.00 C ATOM 151 OE1 GLU A 14 -4.933 16.406 28.376 1.00 25.00 O ATOM 152 OE2 GLU A 14 -4.857 17.965 29.914 1.00 25.00 O ATOM 0 H GLU A 14 -1.547 17.542 25.925 1.00 25.00 H new ATOM 0 HA GLU A 14 -0.378 18.462 28.425 1.00 25.00 H new ATOM 0 HB2 GLU A 14 -2.210 16.123 27.738 1.00 25.00 H new ATOM 0 HB3 GLU A 14 -1.829 16.670 29.359 1.00 25.00 H new ATOM 0 HG2 GLU A 14 -2.853 18.900 28.796 1.00 25.00 H new ATOM 0 HG3 GLU A 14 -3.322 18.253 27.236 1.00 25.00 H new ATOM 159 N ASP A 15 0.924 16.116 26.763 1.00 25.00 N ATOM 160 CA ASP A 15 1.939 15.081 26.604 1.00 25.00 C ATOM 161 C ASP A 15 2.696 15.383 25.309 1.00 25.00 C ATOM 162 O ASP A 15 2.227 16.177 24.481 1.00 25.00 O ATOM 163 CB ASP A 15 1.250 13.718 26.489 1.00 25.00 C ATOM 164 CG ASP A 15 2.184 12.550 26.770 1.00 25.00 C ATOM 165 OD1 ASP A 15 3.363 12.754 27.130 1.00 25.00 O ATOM 166 OD2 ASP A 15 1.730 11.390 26.612 1.00 25.00 O ATOM 0 H ASP A 15 0.599 16.493 25.873 1.00 25.00 H new ATOM 0 HA ASP A 15 2.621 15.063 27.454 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.413 13.681 27.186 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.836 13.611 25.487 1.00 25.00 H new ATOM 171 N LEU A 16 3.833 14.734 25.116 1.00 25.00 N ATOM 172 CA LEU A 16 4.674 14.868 23.928 1.00 25.00 C ATOM 173 C LEU A 16 5.356 13.513 23.796 1.00 25.00 C ATOM 174 O LEU A 16 5.420 12.785 24.782 1.00 25.00 O ATOM 175 CB LEU A 16 5.706 16.002 24.073 1.00 25.00 C ATOM 176 CG LEU A 16 6.850 15.929 25.106 1.00 25.00 C ATOM 177 CD1 LEU A 16 7.866 17.021 24.782 1.00 50.00 C ATOM 178 CD2 LEU A 16 6.417 16.083 26.566 1.00 50.00 C ATOM 0 H LEU A 16 4.211 14.079 25.800 1.00 25.00 H new ATOM 0 HA LEU A 16 4.090 15.132 23.046 1.00 25.00 H new ATOM 0 HB2 LEU A 16 6.171 16.133 23.096 1.00 25.00 H new ATOM 0 HB3 LEU A 16 5.147 16.913 24.285 1.00 25.00 H new ATOM 0 HG LEU A 16 7.267 14.925 25.022 1.00 25.00 H new ATOM 0 HD11 LEU A 16 8.682 16.984 25.503 1.00 50.00 H new ATOM 0 HD12 LEU A 16 8.261 16.864 23.778 1.00 50.00 H new ATOM 0 HD13 LEU A 16 7.381 17.996 24.833 1.00 50.00 H new ATOM 0 HD21 LEU A 16 7.291 16.018 27.214 1.00 50.00 H new ATOM 0 HD22 LEU A 16 5.936 17.052 26.703 1.00 50.00 H new ATOM 0 HD23 LEU A 16 5.715 15.290 26.823 1.00 50.00 H new ATOM 190 N GLY A 17 5.872 13.152 22.631 1.00 25.00 N ATOM 191 CA GLY A 17 6.432 11.819 22.437 1.00 25.00 C ATOM 192 C GLY A 17 7.907 11.692 22.769 1.00 25.00 C ATOM 193 O GLY A 17 8.564 10.711 22.423 1.00 25.00 O ATOM 0 H GLY A 17 5.916 13.756 21.810 1.00 25.00 H new ATOM 0 HA2 GLY A 17 5.874 11.113 23.052 1.00 25.00 H new ATOM 0 HA3 GLY A 17 6.282 11.525 21.398 1.00 25.00 H new ATOM 197 N ASP A 18 8.457 12.711 23.411 1.00 25.00 N ATOM 198 CA ASP A 18 9.897 12.777 23.666 1.00 25.00 C ATOM 199 C ASP A 18 10.443 11.800 24.706 1.00 25.00 C ATOM 200 O ASP A 18 11.593 11.370 24.594 1.00 25.00 O ATOM 201 CB ASP A 18 10.268 14.187 24.107 1.00 25.00 C ATOM 202 CG ASP A 18 11.763 14.379 24.193 1.00 25.00 C ATOM 203 OD1 ASP A 18 12.462 14.215 23.164 1.00 25.00 O ATOM 204 OD2 ASP A 18 12.256 14.667 25.304 1.00 25.00 O ATOM 0 H ASP A 18 7.930 13.508 23.768 1.00 25.00 H new ATOM 0 HA ASP A 18 10.353 12.490 22.718 1.00 25.00 H new ATOM 0 HB2 ASP A 18 9.850 14.908 23.405 1.00 25.00 H new ATOM 0 HB3 ASP A 18 9.820 14.392 25.079 1.00 25.00 H new ATOM 209 N LYS A 19 9.638 11.464 25.709 1.00 25.00 N ATOM 210 CA LYS A 19 10.013 10.539 26.794 1.00 25.00 C ATOM 211 C LYS A 19 11.299 10.972 27.511 1.00 25.00 C ATOM 212 O LYS A 19 12.143 10.139 27.851 1.00 25.00 O ATOM 213 CB LYS A 19 10.124 9.085 26.289 1.00 25.00 C ATOM 214 CG LYS A 19 8.917 8.539 25.500 1.00 25.00 C ATOM 215 CD LYS A 19 7.605 8.480 26.285 1.00 25.00 C ATOM 216 CE LYS A 19 6.515 7.815 25.441 1.00 25.00 C ATOM 217 NZ LYS A 19 5.170 7.720 26.113 1.00 25.00 N ATOM 0 H LYS A 19 8.690 11.828 25.800 1.00 25.00 H new ATOM 0 HA LYS A 19 9.207 10.579 27.527 1.00 25.00 H new ATOM 0 HB2 LYS A 19 11.008 9.010 25.656 1.00 25.00 H new ATOM 0 HB3 LYS A 19 10.292 8.437 27.149 1.00 25.00 H new ATOM 0 HG2 LYS A 19 8.767 9.161 24.618 1.00 25.00 H new ATOM 0 HG3 LYS A 19 9.157 7.536 25.146 1.00 25.00 H new ATOM 0 HD2 LYS A 19 7.751 7.922 27.210 1.00 25.00 H new ATOM 0 HD3 LYS A 19 7.295 9.487 26.566 1.00 25.00 H new ATOM 0 HE2 LYS A 19 6.403 8.373 24.511 1.00 25.00 H new ATOM 0 HE3 LYS A 19 6.844 6.811 25.173 1.00 25.00 H new ATOM 0 HZ1 LYS A 19 4.494 7.258 25.472 1.00 25.00 H new ATOM 0 HZ2 LYS A 19 5.257 7.162 26.986 1.00 25.00 H new ATOM 0 HZ3 LYS A 19 4.830 8.675 26.345 1.00 25.00 H new ATOM 275 N GLU A 23 16.857 7.224 28.335 1.00 25.00 N ATOM 276 CA GLU A 23 18.016 6.998 29.196 1.00 25.00 C ATOM 277 C GLU A 23 19.218 6.801 28.280 1.00 25.00 C ATOM 278 O GLU A 23 19.074 6.250 27.183 1.00 25.00 O ATOM 279 CB GLU A 23 17.813 5.763 30.079 1.00 25.00 C ATOM 280 CG GLU A 23 16.705 5.918 31.122 1.00 25.00 C ATOM 281 CD GLU A 23 16.962 7.083 32.069 1.00 25.00 C ATOM 282 OE1 GLU A 23 18.085 7.191 32.619 1.00 25.00 O ATOM 283 OE2 GLU A 23 16.056 7.925 32.272 1.00 25.00 O ATOM 0 HA GLU A 23 18.165 7.847 29.863 1.00 25.00 H new ATOM 0 HB2 GLU A 23 17.582 4.909 29.443 1.00 25.00 H new ATOM 0 HB3 GLU A 23 18.749 5.536 30.589 1.00 25.00 H new ATOM 0 HG2 GLU A 23 15.751 6.067 30.616 1.00 25.00 H new ATOM 0 HG3 GLU A 23 16.620 4.996 31.698 1.00 25.00 H new ATOM 290 N TYR A 24 20.389 7.250 28.704 1.00 25.00 N ATOM 291 CA TYR A 24 21.594 7.196 27.877 1.00 25.00 C ATOM 292 C TYR A 24 22.799 6.864 28.743 1.00 25.00 C ATOM 293 O TYR A 24 22.724 6.941 29.968 1.00 25.00 O ATOM 294 CB TYR A 24 21.821 8.546 27.183 1.00 25.00 C ATOM 295 CG TYR A 24 22.121 9.695 28.132 1.00 25.00 C ATOM 296 CD1 TYR A 24 23.445 9.958 28.552 1.00 25.00 C ATOM 297 CD2 TYR A 24 21.091 10.536 28.605 1.00 25.00 C ATOM 298 CE1 TYR A 24 23.735 11.049 29.410 1.00 25.00 C ATOM 299 CE2 TYR A 24 21.384 11.640 29.459 1.00 25.00 C ATOM 300 CZ TYR A 24 22.707 11.892 29.834 1.00 25.00 C ATOM 301 OH TYR A 24 23.039 12.980 30.601 1.00 25.00 O ATOM 0 H TYR A 24 20.535 7.661 29.626 1.00 25.00 H new ATOM 0 HA TYR A 24 21.465 6.422 27.120 1.00 25.00 H new ATOM 0 HB2 TYR A 24 22.648 8.445 26.480 1.00 25.00 H new ATOM 0 HB3 TYR A 24 20.935 8.795 26.599 1.00 25.00 H new ATOM 0 HD1 TYR A 24 24.247 9.319 28.214 1.00 25.00 H new ATOM 0 HD2 TYR A 24 20.069 10.341 28.317 1.00 25.00 H new ATOM 0 HE1 TYR A 24 24.750 11.227 29.735 1.00 25.00 H new ATOM 0 HE2 TYR A 24 20.588 12.278 29.814 1.00 25.00 H new ATOM 0 HH TYR A 24 22.228 13.482 30.826 1.00 25.00 H new ATOM 311 N ILE A 25 23.917 6.544 28.114 1.00 25.00 N ATOM 312 CA ILE A 25 25.186 6.326 28.803 1.00 25.00 C ATOM 313 C ILE A 25 26.218 7.068 27.957 1.00 25.00 C ATOM 314 O ILE A 25 25.934 7.398 26.801 1.00 25.00 O ATOM 315 CB ILE A 25 25.467 4.798 28.953 1.00 25.00 C ATOM 316 CG1 ILE A 25 26.586 4.549 29.980 1.00 25.00 C ATOM 317 CG2 ILE A 25 25.761 4.135 27.586 1.00 25.00 C ATOM 318 CD1 ILE A 25 26.647 3.127 30.533 1.00 25.00 C ATOM 0 H ILE A 25 23.974 6.426 27.102 1.00 25.00 H new ATOM 0 HA ILE A 25 25.200 6.704 29.825 1.00 25.00 H new ATOM 0 HB ILE A 25 24.564 4.322 29.335 1.00 25.00 H new ATOM 0 HG12 ILE A 25 27.544 4.784 29.516 1.00 25.00 H new ATOM 0 HG13 ILE A 25 26.456 5.241 30.812 1.00 25.00 H new ATOM 0 HG21 ILE A 25 25.952 3.072 27.731 1.00 25.00 H new ATOM 0 HG22 ILE A 25 24.902 4.263 26.927 1.00 25.00 H new ATOM 0 HG23 ILE A 25 26.637 4.603 27.136 1.00 25.00 H new ATOM 0 HD11 ILE A 25 27.466 3.049 31.248 1.00 25.00 H new ATOM 0 HD12 ILE A 25 25.707 2.890 31.031 1.00 25.00 H new ATOM 0 HD13 ILE A 25 26.811 2.425 29.715 1.00 25.00 H new ATOM 330 N LYS A 26 27.392 7.344 28.507 1.00 25.00 N ATOM 331 CA LYS A 26 28.488 7.956 27.757 1.00 25.00 C ATOM 332 C LYS A 26 29.749 7.136 27.990 1.00 25.00 C ATOM 333 O LYS A 26 29.870 6.459 29.012 1.00 25.00 O ATOM 334 CB LYS A 26 28.751 9.385 28.242 1.00 25.00 C ATOM 335 CG LYS A 26 27.613 10.376 28.031 1.00 25.00 C ATOM 336 CD LYS A 26 28.109 11.763 28.400 1.00 25.00 C ATOM 337 CE LYS A 26 27.094 12.854 28.145 1.00 25.00 C ATOM 338 NZ LYS A 26 27.749 14.191 28.313 1.00 25.00 N ATOM 0 H LYS A 26 27.615 7.152 29.484 1.00 25.00 H new ATOM 0 HA LYS A 26 28.219 7.982 26.701 1.00 25.00 H new ATOM 0 HB2 LYS A 26 28.985 9.350 29.306 1.00 25.00 H new ATOM 0 HB3 LYS A 26 29.637 9.764 27.733 1.00 25.00 H new ATOM 0 HG2 LYS A 26 27.281 10.356 26.993 1.00 25.00 H new ATOM 0 HG3 LYS A 26 26.755 10.104 28.646 1.00 25.00 H new ATOM 0 HD2 LYS A 26 28.384 11.773 29.455 1.00 25.00 H new ATOM 0 HD3 LYS A 26 29.014 11.980 27.832 1.00 25.00 H new ATOM 0 HE2 LYS A 26 26.687 12.760 27.138 1.00 25.00 H new ATOM 0 HE3 LYS A 26 26.257 12.757 28.837 1.00 25.00 H new ATOM 0 HZ1 LYS A 26 27.024 14.936 28.306 1.00 25.00 H new ATOM 0 HZ2 LYS A 26 28.262 14.215 29.217 1.00 25.00 H new ATOM 0 HZ3 LYS A 26 28.417 14.351 27.532 1.00 25.00 H new ATOM 352 N LEU A 27 30.710 7.274 27.091 1.00 25.00 N ATOM 353 CA LEU A 27 32.110 6.959 27.364 1.00 25.00 C ATOM 354 C LEU A 27 32.842 8.187 26.848 1.00 25.00 C ATOM 355 O LEU A 27 32.531 8.656 25.753 1.00 25.00 O ATOM 356 CB LEU A 27 32.556 5.701 26.609 1.00 25.00 C ATOM 357 CG LEU A 27 34.025 5.254 26.731 1.00 25.00 C ATOM 358 CD1 LEU A 27 34.448 4.940 28.163 1.00 50.00 C ATOM 359 CD2 LEU A 27 34.248 4.020 25.857 1.00 50.00 C ATOM 0 H LEU A 27 30.543 7.610 26.143 1.00 25.00 H new ATOM 0 HA LEU A 27 32.302 6.749 28.416 1.00 25.00 H new ATOM 0 HB2 LEU A 27 31.929 4.874 26.943 1.00 25.00 H new ATOM 0 HB3 LEU A 27 32.343 5.856 25.551 1.00 25.00 H new ATOM 0 HG LEU A 27 34.639 6.091 26.398 1.00 25.00 H new ATOM 0 HD11 LEU A 27 35.493 4.632 28.174 1.00 50.00 H new ATOM 0 HD12 LEU A 27 34.325 5.829 28.782 1.00 50.00 H new ATOM 0 HD13 LEU A 27 33.828 4.135 28.557 1.00 50.00 H new ATOM 0 HD21 LEU A 27 35.286 3.699 25.939 1.00 50.00 H new ATOM 0 HD22 LEU A 27 33.592 3.215 26.189 1.00 50.00 H new ATOM 0 HD23 LEU A 27 34.025 4.265 24.818 1.00 50.00 H new ATOM 371 N LYS A 28 33.767 8.742 27.617 1.00 25.00 N ATOM 372 CA LYS A 28 34.545 9.879 27.132 1.00 25.00 C ATOM 373 C LYS A 28 35.664 9.282 26.295 1.00 25.00 C ATOM 374 O LYS A 28 36.372 8.387 26.759 1.00 25.00 O ATOM 375 CB LYS A 28 35.073 10.711 28.300 1.00 25.00 C ATOM 376 CG LYS A 28 35.617 12.080 27.904 1.00 25.00 C ATOM 377 CD LYS A 28 35.900 12.913 29.150 1.00 25.00 C ATOM 378 CE LYS A 28 36.296 14.348 28.818 1.00 25.00 C ATOM 379 NZ LYS A 28 36.594 15.130 30.066 1.00 25.00 N ATOM 0 H LYS A 28 33.997 8.433 28.562 1.00 25.00 H new ATOM 0 HA LYS A 28 33.944 10.565 26.535 1.00 25.00 H new ATOM 0 HB2 LYS A 28 34.270 10.848 29.024 1.00 25.00 H new ATOM 0 HB3 LYS A 28 35.862 10.151 28.801 1.00 25.00 H new ATOM 0 HG2 LYS A 28 36.530 11.962 27.321 1.00 25.00 H new ATOM 0 HG3 LYS A 28 34.897 12.596 27.268 1.00 25.00 H new ATOM 0 HD2 LYS A 28 35.014 12.922 29.785 1.00 25.00 H new ATOM 0 HD3 LYS A 28 36.699 12.443 29.723 1.00 25.00 H new ATOM 0 HE2 LYS A 28 37.172 14.346 28.169 1.00 25.00 H new ATOM 0 HE3 LYS A 28 35.491 14.832 28.265 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 36.861 16.102 29.811 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 35.750 15.150 30.673 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 37.378 14.679 30.579 1.00 25.00 H new ATOM 393 N VAL A 29 35.792 9.733 25.062 1.00 25.00 N ATOM 394 CA VAL A 29 36.784 9.190 24.141 1.00 25.00 C ATOM 395 C VAL A 29 37.604 10.358 23.631 1.00 25.00 C ATOM 396 O VAL A 29 37.163 11.494 23.755 1.00 25.00 O ATOM 397 CB VAL A 29 36.125 8.384 22.980 1.00 25.00 C ATOM 398 CG1 VAL A 29 35.261 7.252 23.547 1.00 50.00 C ATOM 399 CG2 VAL A 29 35.258 9.260 22.071 1.00 50.00 C ATOM 0 H VAL A 29 35.219 10.479 24.669 1.00 25.00 H new ATOM 0 HA VAL A 29 37.426 8.474 24.655 1.00 25.00 H new ATOM 0 HB VAL A 29 36.940 7.980 22.380 1.00 25.00 H new ATOM 0 HG11 VAL A 29 34.806 6.696 22.727 1.00 50.00 H new ATOM 0 HG12 VAL A 29 35.883 6.581 24.139 1.00 50.00 H new ATOM 0 HG13 VAL A 29 34.479 7.673 24.178 1.00 50.00 H new ATOM 0 HG21 VAL A 29 34.824 8.647 21.281 1.00 50.00 H new ATOM 0 HG22 VAL A 29 34.459 9.714 22.657 1.00 50.00 H new ATOM 0 HG23 VAL A 29 35.872 10.043 21.627 1.00 50.00 H new ATOM 409 N ILE A 30 38.782 10.109 23.077 1.00 25.00 N ATOM 410 CA ILE A 30 39.592 11.171 22.473 1.00 25.00 C ATOM 411 C ILE A 30 39.987 10.657 21.095 1.00 25.00 C ATOM 412 O ILE A 30 40.492 9.535 20.983 1.00 25.00 O ATOM 413 CB ILE A 30 40.862 11.516 23.315 1.00 25.00 C ATOM 414 CG1 ILE A 30 40.456 11.955 24.738 1.00 25.00 C ATOM 415 CG2 ILE A 30 41.690 12.630 22.624 1.00 25.00 C ATOM 416 CD1 ILE A 30 41.605 12.192 25.719 1.00 25.00 C ATOM 0 H ILE A 30 39.203 9.181 23.031 1.00 25.00 H new ATOM 0 HA ILE A 30 39.020 12.097 22.422 1.00 25.00 H new ATOM 0 HB ILE A 30 41.481 10.622 23.387 1.00 25.00 H new ATOM 0 HG12 ILE A 30 39.874 12.874 24.661 1.00 25.00 H new ATOM 0 HG13 ILE A 30 39.797 11.195 25.157 1.00 25.00 H new ATOM 0 HG21 ILE A 30 42.570 12.856 23.226 1.00 25.00 H new ATOM 0 HG22 ILE A 30 42.003 12.291 21.636 1.00 25.00 H new ATOM 0 HG23 ILE A 30 41.080 13.527 22.523 1.00 25.00 H new ATOM 0 HD11 ILE A 30 41.202 12.496 26.685 1.00 25.00 H new ATOM 0 HD12 ILE A 30 42.178 11.272 25.838 1.00 25.00 H new ATOM 0 HD13 ILE A 30 42.256 12.977 25.334 1.00 25.00 H new ATOM 428 N GLY A 31 39.752 11.451 20.061 1.00 25.00 N ATOM 429 CA GLY A 31 40.056 11.050 18.696 1.00 25.00 C ATOM 430 C GLY A 31 39.467 12.092 17.770 1.00 25.00 C ATOM 431 O GLY A 31 39.098 13.159 18.267 1.00 25.00 O ATOM 0 H GLY A 31 39.348 12.384 20.143 1.00 25.00 H new ATOM 0 HA2 GLY A 31 41.134 10.974 18.550 1.00 25.00 H new ATOM 0 HA3 GLY A 31 39.635 10.067 18.483 1.00 25.00 H new ATOM 435 N GLN A 32 39.371 11.772 16.483 1.00 25.00 N ATOM 436 CA GLN A 32 38.750 12.573 15.411 1.00 25.00 C ATOM 437 C GLN A 32 39.307 13.967 15.086 1.00 25.00 C ATOM 438 O GLN A 32 39.593 14.271 13.931 1.00 25.00 O ATOM 439 CB GLN A 32 37.239 12.660 15.657 1.00 25.00 C ATOM 440 CG GLN A 32 36.430 13.209 14.492 1.00 25.00 C ATOM 441 CD GLN A 32 34.951 13.223 14.794 1.00 25.00 C ATOM 442 OE1 GLN A 32 34.345 12.185 15.039 1.00 25.00 O ATOM 443 NE2 GLN A 32 34.353 14.381 14.770 1.00 25.00 N ATOM 0 H GLN A 32 39.746 10.892 16.129 1.00 25.00 H new ATOM 0 HA GLN A 32 39.018 12.014 14.515 1.00 25.00 H new ATOM 0 HB2 GLN A 32 36.868 11.665 15.901 1.00 25.00 H new ATOM 0 HB3 GLN A 32 37.064 13.288 16.530 1.00 25.00 H new ATOM 0 HG2 GLN A 32 36.764 14.221 14.263 1.00 25.00 H new ATOM 0 HG3 GLN A 32 36.614 12.604 13.604 1.00 25.00 H new ATOM 0 HE21 GLN A 32 34.886 15.226 14.563 1.00 25.00 H new ATOM 0 HE22 GLN A 32 33.352 14.442 14.958 1.00 25.00 H new ATOM 452 N ASP A 33 39.448 14.824 16.082 1.00 25.00 N ATOM 453 CA ASP A 33 39.956 16.185 15.912 1.00 25.00 C ATOM 454 C ASP A 33 41.047 16.377 16.968 1.00 25.00 C ATOM 455 O ASP A 33 41.247 17.479 17.493 1.00 25.00 O ATOM 456 CB ASP A 33 38.812 17.196 16.074 1.00 25.00 C ATOM 457 CG ASP A 33 37.790 17.118 14.944 1.00 25.00 C ATOM 458 OD1 ASP A 33 38.145 17.368 13.768 1.00 25.00 O ATOM 459 OD2 ASP A 33 36.596 16.843 15.211 1.00 25.00 O ATOM 0 H ASP A 33 39.211 14.596 17.048 1.00 25.00 H new ATOM 0 HA ASP A 33 40.370 16.345 14.917 1.00 25.00 H new ATOM 0 HB2 ASP A 33 38.309 17.020 17.025 1.00 25.00 H new ATOM 0 HB3 ASP A 33 39.226 18.203 16.114 1.00 25.00 H new ATOM 464 N SER A 34 41.672 15.260 17.332 1.00 25.00 N ATOM 465 CA SER A 34 42.631 15.140 18.444 1.00 25.00 C ATOM 466 C SER A 34 42.110 15.723 19.757 1.00 25.00 C ATOM 467 O SER A 34 42.860 16.305 20.540 1.00 25.00 O ATOM 468 CB SER A 34 43.986 15.762 18.090 1.00 25.00 C ATOM 469 OG SER A 34 44.588 15.083 16.998 1.00 25.00 O ATOM 0 H SER A 34 41.523 14.376 16.846 1.00 25.00 H new ATOM 0 HA SER A 34 42.764 14.069 18.600 1.00 25.00 H new ATOM 0 HB2 SER A 34 43.853 16.814 17.840 1.00 25.00 H new ATOM 0 HB3 SER A 34 44.646 15.722 18.956 1.00 25.00 H new ATOM 0 HG SER A 34 45.451 15.499 16.790 1.00 25.00 H new ATOM 475 N SER A 35 40.810 15.606 19.989 1.00 25.00 N ATOM 476 CA SER A 35 40.164 16.243 21.133 1.00 25.00 C ATOM 477 C SER A 35 39.098 15.315 21.697 1.00 25.00 C ATOM 478 O SER A 35 38.680 14.372 21.025 1.00 25.00 O ATOM 479 CB SER A 35 39.543 17.568 20.691 1.00 25.00 C ATOM 480 OG SER A 35 40.528 18.432 20.143 1.00 25.00 O ATOM 0 H SER A 35 40.176 15.071 19.396 1.00 25.00 H new ATOM 0 HA SER A 35 40.901 16.442 21.911 1.00 25.00 H new ATOM 0 HB2 SER A 35 38.765 17.381 19.950 1.00 25.00 H new ATOM 0 HB3 SER A 35 39.063 18.051 21.542 1.00 25.00 H new ATOM 0 HG SER A 35 40.778 18.118 19.249 1.00 25.00 H new ATOM 486 N GLU A 36 38.683 15.556 22.930 1.00 25.00 N ATOM 487 CA GLU A 36 37.703 14.698 23.592 1.00 25.00 C ATOM 488 C GLU A 36 36.291 14.809 23.014 1.00 25.00 C ATOM 489 O GLU A 36 35.878 15.867 22.531 1.00 25.00 O ATOM 490 CB GLU A 36 37.679 14.964 25.107 1.00 25.00 C ATOM 491 CG GLU A 36 37.036 16.279 25.576 1.00 25.00 C ATOM 492 CD GLU A 36 37.755 17.528 25.088 1.00 25.00 C ATOM 493 OE1 GLU A 36 39.006 17.584 25.151 1.00 25.00 O ATOM 494 OE2 GLU A 36 37.083 18.483 24.640 1.00 25.00 O ATOM 0 H GLU A 36 39.008 16.339 23.497 1.00 25.00 H new ATOM 0 HA GLU A 36 38.032 13.676 23.403 1.00 25.00 H new ATOM 0 HB2 GLU A 36 37.152 14.139 25.587 1.00 25.00 H new ATOM 0 HB3 GLU A 36 38.706 14.941 25.471 1.00 25.00 H new ATOM 0 HG2 GLU A 36 36.002 16.309 25.231 1.00 25.00 H new ATOM 0 HG3 GLU A 36 37.009 16.290 26.666 1.00 25.00 H new ATOM 501 N ILE A 37 35.551 13.713 23.083 1.00 25.00 N ATOM 502 CA ILE A 37 34.149 13.629 22.675 1.00 25.00 C ATOM 503 C ILE A 37 33.508 12.897 23.854 1.00 25.00 C ATOM 504 O ILE A 37 34.093 11.953 24.384 1.00 25.00 O ATOM 505 CB ILE A 37 33.972 12.843 21.335 1.00 25.00 C ATOM 506 CG1 ILE A 37 34.713 13.567 20.192 1.00 25.00 C ATOM 507 CG2 ILE A 37 32.472 12.664 20.991 1.00 25.00 C ATOM 508 CD1 ILE A 37 34.804 12.813 18.862 1.00 25.00 C ATOM 0 H ILE A 37 35.917 12.828 23.435 1.00 25.00 H new ATOM 0 HA ILE A 37 33.701 14.601 22.472 1.00 25.00 H new ATOM 0 HB ILE A 37 34.406 11.851 21.458 1.00 25.00 H new ATOM 0 HG12 ILE A 37 34.217 14.521 20.012 1.00 25.00 H new ATOM 0 HG13 ILE A 37 35.725 13.792 20.528 1.00 25.00 H new ATOM 0 HG21 ILE A 37 32.377 12.114 20.055 1.00 25.00 H new ATOM 0 HG22 ILE A 37 31.979 12.109 21.789 1.00 25.00 H new ATOM 0 HG23 ILE A 37 32.003 13.643 20.887 1.00 25.00 H new ATOM 0 HD11 ILE A 37 35.345 13.420 18.136 1.00 25.00 H new ATOM 0 HD12 ILE A 37 35.331 11.871 19.013 1.00 25.00 H new ATOM 0 HD13 ILE A 37 33.800 12.611 18.489 1.00 25.00 H new ATOM 520 N HIS A 38 32.354 13.360 24.310 1.00 25.00 N ATOM 521 CA HIS A 38 31.672 12.794 25.470 1.00 25.00 C ATOM 522 C HIS A 38 30.182 12.698 25.115 1.00 25.00 C ATOM 523 O HIS A 38 29.333 13.415 25.648 1.00 25.00 O ATOM 524 CB HIS A 38 31.959 13.690 26.683 1.00 25.00 C ATOM 525 CG HIS A 38 31.748 13.021 28.006 1.00 25.00 C ATOM 526 ND1 HIS A 38 31.658 13.690 29.203 1.00 25.00 N ATOM 527 CD2 HIS A 38 31.641 11.706 28.331 1.00 25.00 C ATOM 528 CE1 HIS A 38 31.485 12.790 30.172 1.00 25.00 C ATOM 529 NE2 HIS A 38 31.469 11.563 29.690 1.00 25.00 N ATOM 0 H HIS A 38 31.859 14.144 23.885 1.00 25.00 H new ATOM 0 HA HIS A 38 32.020 11.794 25.729 1.00 25.00 H new ATOM 0 HB2 HIS A 38 32.990 14.040 26.626 1.00 25.00 H new ATOM 0 HB3 HIS A 38 31.320 14.571 26.628 1.00 25.00 H new ATOM 0 HD2 HIS A 38 31.685 10.890 27.625 1.00 25.00 H new ATOM 0 HE1 HIS A 38 31.372 13.035 31.218 1.00 25.00 H new ATOM 0 HE2 HIS A 38 31.354 10.694 30.212 1.00 25.00 H new ATOM 537 N PHE A 39 29.897 11.888 24.104 1.00 25.00 N ATOM 538 CA PHE A 39 28.591 11.849 23.444 1.00 25.00 C ATOM 539 C PHE A 39 27.602 10.857 24.065 1.00 25.00 C ATOM 540 O PHE A 39 27.980 9.751 24.459 1.00 25.00 O ATOM 541 CB PHE A 39 28.830 11.494 21.974 1.00 25.00 C ATOM 542 CG PHE A 39 27.583 11.468 21.134 1.00 25.00 C ATOM 543 CD1 PHE A 39 26.907 12.659 20.815 1.00 25.00 C ATOM 544 CD2 PHE A 39 27.096 10.250 20.633 1.00 25.00 C ATOM 545 CE1 PHE A 39 25.740 12.636 20.009 1.00 25.00 C ATOM 546 CE2 PHE A 39 25.946 10.211 19.806 1.00 25.00 C ATOM 547 CZ PHE A 39 25.261 11.409 19.499 1.00 25.00 C ATOM 0 H PHE A 39 30.571 11.231 23.712 1.00 25.00 H new ATOM 0 HA PHE A 39 28.128 12.829 23.563 1.00 25.00 H new ATOM 0 HB2 PHE A 39 29.527 12.215 21.547 1.00 25.00 H new ATOM 0 HB3 PHE A 39 29.310 10.517 21.922 1.00 25.00 H new ATOM 0 HD1 PHE A 39 27.280 13.601 21.188 1.00 25.00 H new ATOM 0 HD2 PHE A 39 27.605 9.330 20.881 1.00 25.00 H new ATOM 0 HE1 PHE A 39 25.219 13.555 19.786 1.00 25.00 H new ATOM 0 HE2 PHE A 39 25.594 9.269 19.412 1.00 25.00 H new ATOM 0 HZ PHE A 39 24.377 11.386 18.879 1.00 25.00 H new ATOM 557 N LYS A 40 26.334 11.244 24.142 1.00 25.00 N ATOM 558 CA LYS A 40 25.268 10.377 24.665 1.00 25.00 C ATOM 559 C LYS A 40 24.881 9.278 23.682 1.00 25.00 C ATOM 560 O LYS A 40 24.434 9.572 22.569 1.00 25.00 O ATOM 561 CB LYS A 40 24.008 11.210 24.923 1.00 25.00 C ATOM 562 CG LYS A 40 24.170 12.307 25.951 1.00 25.00 C ATOM 563 CD LYS A 40 22.878 13.081 26.114 1.00 25.00 C ATOM 564 CE LYS A 40 23.074 14.234 27.078 1.00 25.00 C ATOM 565 NZ LYS A 40 21.838 15.052 27.239 1.00 25.00 N ATOM 0 H LYS A 40 26.009 12.165 23.846 1.00 25.00 H new ATOM 0 HA LYS A 40 25.653 9.924 25.579 1.00 25.00 H new ATOM 0 HB2 LYS A 40 23.687 11.658 23.982 1.00 25.00 H new ATOM 0 HB3 LYS A 40 23.209 10.543 25.247 1.00 25.00 H new ATOM 0 HG2 LYS A 40 24.465 11.876 26.908 1.00 25.00 H new ATOM 0 HG3 LYS A 40 24.969 12.983 25.646 1.00 25.00 H new ATOM 0 HD2 LYS A 40 22.548 13.459 25.146 1.00 25.00 H new ATOM 0 HD3 LYS A 40 22.094 12.420 26.482 1.00 25.00 H new ATOM 0 HE2 LYS A 40 23.379 13.845 28.049 1.00 25.00 H new ATOM 0 HE3 LYS A 40 23.884 14.870 26.721 1.00 25.00 H new ATOM 0 HZ1 LYS A 40 22.020 15.828 27.907 1.00 25.00 H new ATOM 0 HZ2 LYS A 40 21.560 15.446 26.318 1.00 25.00 H new ATOM 0 HZ3 LYS A 40 21.071 14.453 27.605 1.00 25.00 H new ATOM 579 N VAL A 41 24.980 8.025 24.098 1.00 25.00 N ATOM 580 CA VAL A 41 24.576 6.888 23.265 1.00 25.00 C ATOM 581 C VAL A 41 23.556 6.041 24.016 1.00 25.00 C ATOM 582 O VAL A 41 23.459 6.124 25.246 1.00 25.00 O ATOM 583 CB VAL A 41 25.796 6.017 22.833 1.00 25.00 C ATOM 584 CG1 VAL A 41 26.761 6.832 21.973 1.00 50.00 C ATOM 585 CG2 VAL A 41 26.554 5.433 24.034 1.00 50.00 C ATOM 0 H VAL A 41 25.339 7.762 25.016 1.00 25.00 H new ATOM 0 HA VAL A 41 24.125 7.282 22.354 1.00 25.00 H new ATOM 0 HB VAL A 41 25.395 5.186 22.253 1.00 25.00 H new ATOM 0 HG11 VAL A 41 27.605 6.207 21.682 1.00 50.00 H new ATOM 0 HG12 VAL A 41 26.244 7.183 21.080 1.00 50.00 H new ATOM 0 HG13 VAL A 41 27.123 7.688 22.543 1.00 50.00 H new ATOM 0 HG21 VAL A 41 27.393 4.835 23.679 1.00 50.00 H new ATOM 0 HG22 VAL A 41 26.925 6.245 24.659 1.00 50.00 H new ATOM 0 HG23 VAL A 41 25.882 4.804 24.617 1.00 50.00 H new ATOM 595 N LYS A 42 22.788 5.234 23.294 1.00 25.00 N ATOM 596 CA LYS A 42 21.832 4.321 23.930 1.00 25.00 C ATOM 597 C LYS A 42 22.602 3.323 24.789 1.00 25.00 C ATOM 598 O LYS A 42 23.747 2.977 24.481 1.00 25.00 O ATOM 599 CB LYS A 42 20.960 3.605 22.884 1.00 25.00 C ATOM 600 CG LYS A 42 21.703 2.708 21.897 1.00 25.00 C ATOM 601 CD LYS A 42 20.756 2.074 20.890 1.00 25.00 C ATOM 602 CE LYS A 42 21.518 1.124 19.972 1.00 25.00 C ATOM 603 NZ LYS A 42 20.601 0.418 19.020 1.00 25.00 N ATOM 0 H LYS A 42 22.804 5.189 22.275 1.00 25.00 H new ATOM 0 HA LYS A 42 21.154 4.893 24.563 1.00 25.00 H new ATOM 0 HB2 LYS A 42 20.220 3.000 23.409 1.00 25.00 H new ATOM 0 HB3 LYS A 42 20.412 4.359 22.319 1.00 25.00 H new ATOM 0 HG2 LYS A 42 22.456 3.293 21.370 1.00 25.00 H new ATOM 0 HG3 LYS A 42 22.231 1.926 22.442 1.00 25.00 H new ATOM 0 HD2 LYS A 42 19.968 1.532 21.413 1.00 25.00 H new ATOM 0 HD3 LYS A 42 20.270 2.850 20.299 1.00 25.00 H new ATOM 0 HE2 LYS A 42 22.266 1.683 19.410 1.00 25.00 H new ATOM 0 HE3 LYS A 42 22.054 0.390 20.573 1.00 25.00 H new ATOM 0 HZ1 LYS A 42 21.155 -0.219 18.412 1.00 25.00 H new ATOM 0 HZ2 LYS A 42 19.903 -0.136 19.556 1.00 25.00 H new ATOM 0 HZ3 LYS A 42 20.108 1.118 18.429 1.00 25.00 H new ATOM 617 N MET A 43 21.990 2.840 25.858 1.00 25.00 N ATOM 618 CA MET A 43 22.695 1.977 26.807 1.00 25.00 C ATOM 619 C MET A 43 23.073 0.614 26.237 1.00 25.00 C ATOM 620 O MET A 43 23.965 -0.044 26.752 1.00 25.00 O ATOM 621 CB MET A 43 21.884 1.798 28.091 1.00 25.00 C ATOM 622 CG MET A 43 21.679 3.094 28.866 1.00 25.00 C ATOM 623 SD MET A 43 20.876 2.806 30.451 1.00 25.00 S ATOM 624 CE MET A 43 22.255 2.234 31.489 1.00 25.00 C ATOM 0 H MET A 43 21.015 3.025 26.094 1.00 25.00 H new ATOM 0 HA MET A 43 23.629 2.492 27.030 1.00 25.00 H new ATOM 0 HB2 MET A 43 20.911 1.376 27.841 1.00 25.00 H new ATOM 0 HB3 MET A 43 22.389 1.076 28.733 1.00 25.00 H new ATOM 0 HG2 MET A 43 22.643 3.576 29.029 1.00 25.00 H new ATOM 0 HG3 MET A 43 21.076 3.781 28.272 1.00 25.00 H new ATOM 0 HE1 MET A 43 21.890 2.022 32.494 1.00 25.00 H new ATOM 0 HE2 MET A 43 22.682 1.328 31.060 1.00 25.00 H new ATOM 0 HE3 MET A 43 23.020 3.009 31.536 1.00 25.00 H new ATOM 634 N THR A 44 22.465 0.206 25.136 1.00 25.00 N ATOM 635 CA THR A 44 22.816 -1.050 24.476 1.00 25.00 C ATOM 636 C THR A 44 23.959 -0.926 23.461 1.00 25.00 C ATOM 637 O THR A 44 24.229 -1.864 22.718 1.00 25.00 O ATOM 638 CB THR A 44 21.581 -1.575 23.734 1.00 25.00 C ATOM 639 OG1 THR A 44 21.089 -0.531 22.895 1.00 25.00 O ATOM 640 CG2 THR A 44 20.454 -1.940 24.688 1.00 25.00 C ATOM 0 H THR A 44 21.720 0.727 24.674 1.00 25.00 H new ATOM 0 HA THR A 44 23.155 -1.726 25.261 1.00 25.00 H new ATOM 0 HB THR A 44 21.880 -2.463 23.177 1.00 25.00 H new ATOM 0 HG1 THR A 44 20.299 -0.847 22.409 1.00 25.00 H new ATOM 0 HG21 THR A 44 19.600 -2.307 24.119 1.00 25.00 H new ATOM 0 HG22 THR A 44 20.794 -2.717 25.373 1.00 25.00 H new ATOM 0 HG23 THR A 44 20.159 -1.058 25.257 1.00 25.00 H new ATOM 648 N THR A 45 24.630 0.217 23.384 1.00 25.00 N ATOM 649 CA THR A 45 25.742 0.381 22.437 1.00 25.00 C ATOM 650 C THR A 45 26.994 -0.401 22.855 1.00 25.00 C ATOM 651 O THR A 45 27.465 -0.259 23.990 1.00 25.00 O ATOM 652 CB THR A 45 26.137 1.874 22.323 1.00 25.00 C ATOM 653 OG1 THR A 45 24.967 2.643 22.036 1.00 25.00 O ATOM 654 CG2 THR A 45 27.122 2.141 21.200 1.00 25.00 C ATOM 0 H THR A 45 24.432 1.038 23.955 1.00 25.00 H new ATOM 0 HA THR A 45 25.386 -0.007 21.483 1.00 25.00 H new ATOM 0 HB THR A 45 26.601 2.147 23.271 1.00 25.00 H new ATOM 0 HG1 THR A 45 24.496 2.846 22.871 1.00 25.00 H new ATOM 0 HG21 THR A 45 27.361 3.204 21.170 1.00 25.00 H new ATOM 0 HG22 THR A 45 28.034 1.569 21.372 1.00 25.00 H new ATOM 0 HG23 THR A 45 26.680 1.842 20.250 1.00 25.00 H new ATOM 662 N HIS A 46 27.547 -1.185 21.937 1.00 25.00 N ATOM 663 CA HIS A 46 28.822 -1.884 22.126 1.00 25.00 C ATOM 664 C HIS A 46 29.850 -1.123 21.289 1.00 25.00 C ATOM 665 O HIS A 46 29.485 -0.414 20.344 1.00 25.00 O ATOM 666 CB HIS A 46 28.735 -3.336 21.635 1.00 25.00 C ATOM 667 CG HIS A 46 27.719 -4.169 22.356 1.00 25.00 C ATOM 668 ND1 HIS A 46 28.024 -5.243 23.158 1.00 25.00 N ATOM 669 CD2 HIS A 46 26.362 -4.102 22.370 1.00 25.00 C ATOM 670 CE1 HIS A 46 26.882 -5.763 23.613 1.00 25.00 C ATOM 671 NE2 HIS A 46 25.837 -5.090 23.174 1.00 25.00 N ATOM 0 H HIS A 46 27.120 -1.358 21.027 1.00 25.00 H new ATOM 0 HA HIS A 46 29.091 -1.915 23.182 1.00 25.00 H new ATOM 0 HB2 HIS A 46 28.498 -3.334 20.571 1.00 25.00 H new ATOM 0 HB3 HIS A 46 29.714 -3.803 21.743 1.00 25.00 H new ATOM 0 HD1 HIS A 46 28.962 -5.584 23.369 1.00 25.00 H new ATOM 0 HD2 HIS A 46 25.776 -3.375 21.826 1.00 25.00 H new ATOM 0 HE1 HIS A 46 26.822 -6.626 24.259 1.00 25.00 H new ATOM 679 N LEU A 47 31.131 -1.261 21.604 1.00 25.00 N ATOM 680 CA LEU A 47 32.176 -0.468 20.946 1.00 25.00 C ATOM 681 C LEU A 47 32.310 -0.749 19.445 1.00 25.00 C ATOM 682 O LEU A 47 32.773 0.103 18.690 1.00 25.00 O ATOM 683 CB LEU A 47 33.507 -0.667 21.690 1.00 25.00 C ATOM 684 CG LEU A 47 34.568 0.450 21.777 1.00 25.00 C ATOM 685 CD1 LEU A 47 35.324 0.733 20.489 1.00 50.00 C ATOM 686 CD2 LEU A 47 33.977 1.760 22.307 1.00 50.00 C ATOM 0 H LEU A 47 31.477 -1.912 22.309 1.00 25.00 H new ATOM 0 HA LEU A 47 31.880 0.580 21.004 1.00 25.00 H new ATOM 0 HB2 LEU A 47 33.257 -0.944 22.714 1.00 25.00 H new ATOM 0 HB3 LEU A 47 33.995 -1.530 21.237 1.00 25.00 H new ATOM 0 HG LEU A 47 35.296 0.049 22.482 1.00 25.00 H new ATOM 0 HD11 LEU A 47 36.044 1.533 20.658 1.00 50.00 H new ATOM 0 HD12 LEU A 47 35.850 -0.167 20.170 1.00 50.00 H new ATOM 0 HD13 LEU A 47 34.621 1.036 19.713 1.00 50.00 H new ATOM 0 HD21 LEU A 47 34.758 2.519 22.352 1.00 50.00 H new ATOM 0 HD22 LEU A 47 33.182 2.096 21.641 1.00 50.00 H new ATOM 0 HD23 LEU A 47 33.570 1.598 23.305 1.00 50.00 H new ATOM 698 N LYS A 48 31.822 -1.887 18.970 1.00 25.00 N ATOM 699 CA LYS A 48 31.777 -2.151 17.526 1.00 25.00 C ATOM 700 C LYS A 48 31.078 -1.050 16.727 1.00 25.00 C ATOM 701 O LYS A 48 31.507 -0.749 15.611 1.00 25.00 O ATOM 702 CB LYS A 48 31.158 -3.522 17.214 1.00 25.00 C ATOM 703 CG LYS A 48 29.665 -3.706 17.502 1.00 25.00 C ATOM 704 CD LYS A 48 29.217 -5.101 17.059 1.00 25.00 C ATOM 705 CE LYS A 48 27.705 -5.349 17.189 1.00 25.00 C ATOM 706 NZ LYS A 48 27.183 -5.272 18.593 1.00 25.00 N ATOM 0 H LYS A 48 31.453 -2.640 19.551 1.00 25.00 H new ATOM 0 HA LYS A 48 32.818 -2.160 17.203 1.00 25.00 H new ATOM 0 HB2 LYS A 48 31.325 -3.734 16.158 1.00 25.00 H new ATOM 0 HB3 LYS A 48 31.705 -4.275 17.781 1.00 25.00 H new ATOM 0 HG2 LYS A 48 29.472 -3.574 18.567 1.00 25.00 H new ATOM 0 HG3 LYS A 48 29.088 -2.945 16.976 1.00 25.00 H new ATOM 0 HD2 LYS A 48 29.510 -5.252 16.020 1.00 25.00 H new ATOM 0 HD3 LYS A 48 29.748 -5.846 17.651 1.00 25.00 H new ATOM 0 HE2 LYS A 48 27.175 -4.619 16.577 1.00 25.00 H new ATOM 0 HE3 LYS A 48 27.474 -6.333 16.782 1.00 25.00 H new ATOM 0 HZ1 LYS A 48 26.158 -5.451 18.593 1.00 25.00 H new ATOM 0 HZ2 LYS A 48 27.659 -5.987 19.180 1.00 25.00 H new ATOM 0 HZ3 LYS A 48 27.369 -4.325 18.981 1.00 25.00 H new ATOM 720 N LYS A 49 30.075 -0.383 17.291 1.00 25.00 N ATOM 721 CA LYS A 49 29.435 0.714 16.563 1.00 25.00 C ATOM 722 C LYS A 49 30.383 1.893 16.408 1.00 25.00 C ATOM 723 O LYS A 49 30.461 2.488 15.336 1.00 25.00 O ATOM 724 CB LYS A 49 28.134 1.174 17.233 1.00 25.00 C ATOM 725 CG LYS A 49 27.355 2.234 16.435 1.00 25.00 C ATOM 726 CD LYS A 49 26.835 1.705 15.094 1.00 25.00 C ATOM 727 CE LYS A 49 26.206 2.806 14.257 1.00 25.00 C ATOM 728 NZ LYS A 49 25.647 2.225 12.993 1.00 25.00 N ATOM 0 H LYS A 49 29.696 -0.572 18.219 1.00 25.00 H new ATOM 0 HA LYS A 49 29.183 0.327 15.576 1.00 25.00 H new ATOM 0 HB2 LYS A 49 27.492 0.307 17.388 1.00 25.00 H new ATOM 0 HB3 LYS A 49 28.368 1.577 18.218 1.00 25.00 H new ATOM 0 HG2 LYS A 49 26.514 2.586 17.032 1.00 25.00 H new ATOM 0 HG3 LYS A 49 28.000 3.094 16.255 1.00 25.00 H new ATOM 0 HD2 LYS A 49 27.656 1.251 14.539 1.00 25.00 H new ATOM 0 HD3 LYS A 49 26.100 0.920 15.273 1.00 25.00 H new ATOM 0 HE2 LYS A 49 25.415 3.299 14.823 1.00 25.00 H new ATOM 0 HE3 LYS A 49 26.950 3.566 14.021 1.00 25.00 H new ATOM 0 HZ1 LYS A 49 25.498 2.984 12.298 1.00 25.00 H new ATOM 0 HZ2 LYS A 49 26.315 1.528 12.606 1.00 25.00 H new ATOM 0 HZ3 LYS A 49 24.740 1.759 13.197 1.00 25.00 H new ATOM 742 N LEU A 50 31.130 2.221 17.451 1.00 25.00 N ATOM 743 CA LEU A 50 32.085 3.326 17.376 1.00 25.00 C ATOM 744 C LEU A 50 33.153 2.979 16.343 1.00 25.00 C ATOM 745 O LEU A 50 33.514 3.820 15.519 1.00 25.00 O ATOM 746 CB LEU A 50 32.688 3.607 18.760 1.00 25.00 C ATOM 747 CG LEU A 50 33.633 4.814 18.923 1.00 25.00 C ATOM 748 CD1 LEU A 50 33.567 5.335 20.356 1.00 50.00 C ATOM 749 CD2 LEU A 50 35.101 4.500 18.593 1.00 50.00 C ATOM 0 H LEU A 50 31.098 1.746 18.353 1.00 25.00 H new ATOM 0 HA LEU A 50 31.582 4.241 17.061 1.00 25.00 H new ATOM 0 HB2 LEU A 50 31.863 3.736 19.460 1.00 25.00 H new ATOM 0 HB3 LEU A 50 33.233 2.716 19.070 1.00 25.00 H new ATOM 0 HG LEU A 50 33.288 5.561 18.208 1.00 25.00 H new ATOM 0 HD11 LEU A 50 34.237 6.188 20.464 1.00 50.00 H new ATOM 0 HD12 LEU A 50 32.547 5.644 20.584 1.00 50.00 H new ATOM 0 HD13 LEU A 50 33.870 4.546 21.044 1.00 50.00 H new ATOM 0 HD21 LEU A 50 35.705 5.397 18.731 1.00 50.00 H new ATOM 0 HD22 LEU A 50 35.463 3.714 19.256 1.00 50.00 H new ATOM 0 HD23 LEU A 50 35.178 4.166 17.558 1.00 50.00 H new ATOM 761 N LYS A 51 33.612 1.731 16.333 1.00 25.00 N ATOM 762 CA LYS A 51 34.625 1.327 15.355 1.00 25.00 C ATOM 763 C LYS A 51 34.134 1.515 13.931 1.00 25.00 C ATOM 764 O LYS A 51 34.810 2.172 13.142 1.00 25.00 O ATOM 765 CB LYS A 51 35.088 -0.124 15.536 1.00 25.00 C ATOM 766 CG LYS A 51 35.853 -0.379 16.824 1.00 25.00 C ATOM 767 CD LYS A 51 36.521 -1.749 16.797 1.00 25.00 C ATOM 768 CE LYS A 51 37.325 -1.997 18.068 1.00 25.00 C ATOM 769 NZ LYS A 51 38.113 -3.271 17.994 1.00 25.00 N ATOM 0 H LYS A 51 33.310 0.996 16.972 1.00 25.00 H new ATOM 0 HA LYS A 51 35.478 1.981 15.537 1.00 25.00 H new ATOM 0 HB2 LYS A 51 34.216 -0.778 15.509 1.00 25.00 H new ATOM 0 HB3 LYS A 51 35.719 -0.400 14.691 1.00 25.00 H new ATOM 0 HG2 LYS A 51 36.607 0.395 16.963 1.00 25.00 H new ATOM 0 HG3 LYS A 51 35.173 -0.318 17.674 1.00 25.00 H new ATOM 0 HD2 LYS A 51 35.762 -2.524 16.687 1.00 25.00 H new ATOM 0 HD3 LYS A 51 37.177 -1.819 15.929 1.00 25.00 H new ATOM 0 HE2 LYS A 51 38.003 -1.161 18.237 1.00 25.00 H new ATOM 0 HE3 LYS A 51 36.649 -2.038 18.922 1.00 25.00 H new ATOM 0 HZ1 LYS A 51 38.550 -3.463 18.918 1.00 25.00 H new ATOM 0 HZ2 LYS A 51 37.480 -4.056 17.741 1.00 25.00 H new ATOM 0 HZ3 LYS A 51 38.856 -3.178 17.272 1.00 25.00 H new ATOM 783 N GLU A 52 32.969 0.988 13.581 1.00 25.00 N ATOM 784 CA GLU A 52 32.506 1.131 12.199 1.00 25.00 C ATOM 785 C GLU A 52 32.230 2.597 11.862 1.00 25.00 C ATOM 786 O GLU A 52 32.503 3.035 10.750 1.00 25.00 O ATOM 787 CB GLU A 52 31.296 0.234 11.890 1.00 25.00 C ATOM 788 CG GLU A 52 29.982 0.604 12.572 1.00 25.00 C ATOM 789 CD GLU A 52 28.828 -0.316 12.201 1.00 25.00 C ATOM 790 OE1 GLU A 52 29.004 -1.553 12.146 1.00 25.00 O ATOM 791 OE2 GLU A 52 27.706 0.197 11.974 1.00 25.00 O ATOM 0 H GLU A 52 32.344 0.476 14.204 1.00 25.00 H new ATOM 0 HA GLU A 52 33.313 0.787 11.552 1.00 25.00 H new ATOM 0 HB2 GLU A 52 31.134 0.239 10.812 1.00 25.00 H new ATOM 0 HB3 GLU A 52 31.549 -0.789 12.170 1.00 25.00 H new ATOM 0 HG2 GLU A 52 30.123 0.580 13.653 1.00 25.00 H new ATOM 0 HG3 GLU A 52 29.720 1.628 12.307 1.00 25.00 H new ATOM 798 N SER A 53 31.767 3.384 12.825 1.00 25.00 N ATOM 799 CA SER A 53 31.466 4.789 12.564 1.00 25.00 C ATOM 800 C SER A 53 32.717 5.587 12.214 1.00 25.00 C ATOM 801 O SER A 53 32.685 6.446 11.327 1.00 25.00 O ATOM 802 CB SER A 53 30.799 5.427 13.784 1.00 25.00 C ATOM 803 OG SER A 53 29.625 4.715 14.138 1.00 25.00 O ATOM 0 H SER A 53 31.593 3.080 13.783 1.00 25.00 H new ATOM 0 HA SER A 53 30.790 4.814 11.709 1.00 25.00 H new ATOM 0 HB2 SER A 53 31.494 5.434 14.624 1.00 25.00 H new ATOM 0 HB3 SER A 53 30.550 6.466 13.568 1.00 25.00 H new ATOM 0 HG SER A 53 29.828 4.089 14.864 1.00 25.00 H new ATOM 809 N TYR A 54 33.823 5.315 12.893 1.00 25.00 N ATOM 810 CA TYR A 54 35.079 6.005 12.598 1.00 25.00 C ATOM 811 C TYR A 54 35.654 5.513 11.275 1.00 25.00 C ATOM 812 O TYR A 54 36.100 6.303 10.445 1.00 25.00 O ATOM 813 CB TYR A 54 36.103 5.763 13.712 1.00 25.00 C ATOM 814 CG TYR A 54 36.027 6.758 14.858 1.00 25.00 C ATOM 815 CD1 TYR A 54 34.895 6.831 15.696 1.00 25.00 C ATOM 816 CD2 TYR A 54 37.099 7.641 15.111 1.00 25.00 C ATOM 817 CE1 TYR A 54 34.846 7.748 16.778 1.00 25.00 C ATOM 818 CE2 TYR A 54 37.050 8.559 16.197 1.00 25.00 C ATOM 819 CZ TYR A 54 35.928 8.594 17.026 1.00 25.00 C ATOM 820 OH TYR A 54 35.891 9.469 18.079 1.00 25.00 O ATOM 0 H TYR A 54 33.880 4.629 13.646 1.00 25.00 H new ATOM 0 HA TYR A 54 34.869 7.072 12.530 1.00 25.00 H new ATOM 0 HB2 TYR A 54 35.960 4.758 14.109 1.00 25.00 H new ATOM 0 HB3 TYR A 54 37.104 5.797 13.283 1.00 25.00 H new ATOM 0 HD1 TYR A 54 34.053 6.180 15.512 1.00 25.00 H new ATOM 0 HD2 TYR A 54 37.969 7.619 14.471 1.00 25.00 H new ATOM 0 HE1 TYR A 54 33.971 7.791 17.410 1.00 25.00 H new ATOM 0 HE2 TYR A 54 37.879 9.227 16.379 1.00 25.00 H new ATOM 0 HH TYR A 54 36.726 9.982 18.108 1.00 25.00 H new ATOM 830 N CYS A 55 35.637 4.207 11.057 1.00 25.00 N ATOM 831 CA CYS A 55 36.271 3.646 9.868 1.00 25.00 C ATOM 832 C CYS A 55 35.556 4.043 8.584 1.00 25.00 C ATOM 833 O CYS A 55 36.200 4.428 7.608 1.00 25.00 O ATOM 834 CB CYS A 55 36.357 2.130 10.005 1.00 25.00 C ATOM 835 SG CYS A 55 37.332 1.708 11.457 1.00 25.00 S ATOM 0 H CYS A 55 35.200 3.523 11.675 1.00 25.00 H new ATOM 0 HA CYS A 55 37.277 4.060 9.796 1.00 25.00 H new ATOM 0 HB2 CYS A 55 35.357 1.705 10.091 1.00 25.00 H new ATOM 0 HB3 CYS A 55 36.811 1.699 9.112 1.00 25.00 H new ATOM 0 HG CYS A 55 36.585 1.783 12.518 1.00 25.00 H new ATOM 840 N GLN A 56 34.229 4.043 8.604 1.00 25.00 N ATOM 841 CA GLN A 56 33.455 4.481 7.445 1.00 25.00 C ATOM 842 C GLN A 56 33.696 5.958 7.144 1.00 25.00 C ATOM 843 O GLN A 56 33.809 6.341 5.976 1.00 25.00 O ATOM 844 CB GLN A 56 31.959 4.262 7.680 1.00 25.00 C ATOM 845 CG GLN A 56 31.530 2.795 7.662 1.00 25.00 C ATOM 846 CD GLN A 56 30.092 2.604 8.107 1.00 25.00 C ATOM 847 OE1 GLN A 56 29.327 3.556 8.234 1.00 25.00 O ATOM 848 NE2 GLN A 56 29.713 1.381 8.355 1.00 25.00 N ATOM 0 H GLN A 56 33.668 3.747 9.403 1.00 25.00 H new ATOM 0 HA GLN A 56 33.784 3.885 6.594 1.00 25.00 H new ATOM 0 HB2 GLN A 56 31.686 4.697 8.642 1.00 25.00 H new ATOM 0 HB3 GLN A 56 31.400 4.802 6.916 1.00 25.00 H new ATOM 0 HG2 GLN A 56 31.651 2.397 6.655 1.00 25.00 H new ATOM 0 HG3 GLN A 56 32.188 2.220 8.313 1.00 25.00 H new ATOM 0 HE21 GLN A 56 30.371 0.610 8.241 1.00 25.00 H new ATOM 0 HE22 GLN A 56 28.759 1.195 8.663 1.00 25.00 H new ATOM 857 N ARG A 57 33.805 6.790 8.175 1.00 25.00 N ATOM 858 CA ARG A 57 34.005 8.228 7.966 1.00 25.00 C ATOM 859 C ARG A 57 35.370 8.533 7.364 1.00 25.00 C ATOM 860 O ARG A 57 35.506 9.424 6.529 1.00 25.00 O ATOM 861 CB ARG A 57 33.828 8.992 9.283 1.00 25.00 C ATOM 862 CG ARG A 57 33.630 10.495 9.088 1.00 25.00 C ATOM 863 CD ARG A 57 33.388 11.253 10.389 1.00 25.00 C ATOM 864 NE ARG A 57 32.139 10.857 11.059 1.00 25.00 N ATOM 865 CZ ARG A 57 31.612 11.421 12.139 1.00 25.00 C ATOM 866 NH1 ARG A 57 32.127 12.469 12.728 1.00 25.00 N ATOM 867 NH2 ARG A 57 30.522 10.918 12.640 1.00 25.00 N ATOM 0 H ARG A 57 33.760 6.503 9.153 1.00 25.00 H new ATOM 0 HA ARG A 57 33.248 8.559 7.254 1.00 25.00 H new ATOM 0 HB2 ARG A 57 32.970 8.586 9.818 1.00 25.00 H new ATOM 0 HB3 ARG A 57 34.703 8.826 9.912 1.00 25.00 H new ATOM 0 HG2 ARG A 57 34.510 10.908 8.595 1.00 25.00 H new ATOM 0 HG3 ARG A 57 32.784 10.658 8.420 1.00 25.00 H new ATOM 0 HD2 ARG A 57 34.226 11.082 11.064 1.00 25.00 H new ATOM 0 HD3 ARG A 57 33.359 12.322 10.180 1.00 25.00 H new ATOM 0 HE ARG A 57 31.628 10.072 10.654 1.00 25.00 H new ATOM 0 HH11 ARG A 57 32.977 12.895 12.359 1.00 25.00 H new ATOM 0 HH12 ARG A 57 31.678 12.860 13.556 1.00 25.00 H new ATOM 0 HH21 ARG A 57 30.088 10.105 12.203 1.00 25.00 H new ATOM 0 HH22 ARG A 57 30.101 11.337 13.470 1.00 25.00 H new ATOM 881 N GLN A 58 36.380 7.782 7.774 1.00 25.00 N ATOM 882 CA GLN A 58 37.735 7.976 7.256 1.00 25.00 C ATOM 883 C GLN A 58 37.964 7.267 5.925 1.00 25.00 C ATOM 884 O GLN A 58 38.932 7.560 5.219 1.00 25.00 O ATOM 885 CB GLN A 58 38.742 7.454 8.279 1.00 25.00 C ATOM 886 CG GLN A 58 38.752 8.244 9.572 1.00 25.00 C ATOM 887 CD GLN A 58 39.633 7.613 10.618 1.00 25.00 C ATOM 888 OE1 GLN A 58 40.826 7.428 10.424 1.00 25.00 O ATOM 889 NE2 GLN A 58 39.055 7.262 11.728 1.00 25.00 N ATOM 0 H GLN A 58 36.293 7.034 8.461 1.00 25.00 H new ATOM 0 HA GLN A 58 37.867 9.044 7.084 1.00 25.00 H new ATOM 0 HB2 GLN A 58 38.516 6.411 8.501 1.00 25.00 H new ATOM 0 HB3 GLN A 58 39.739 7.477 7.840 1.00 25.00 H new ATOM 0 HG2 GLN A 58 39.097 9.259 9.373 1.00 25.00 H new ATOM 0 HG3 GLN A 58 37.735 8.323 9.956 1.00 25.00 H new ATOM 0 HE21 GLN A 58 38.058 7.430 11.859 1.00 25.00 H new ATOM 0 HE22 GLN A 58 39.599 6.818 12.468 1.00 25.00 H new ATOM 898 N GLY A 59 37.091 6.333 5.574 1.00 25.00 N ATOM 899 CA GLY A 59 37.257 5.592 4.336 1.00 25.00 C ATOM 900 C GLY A 59 38.329 4.522 4.431 1.00 25.00 C ATOM 901 O GLY A 59 39.034 4.289 3.449 1.00 25.00 O ATOM 0 H GLY A 59 36.271 6.074 6.123 1.00 25.00 H new ATOM 0 HA2 GLY A 59 36.309 5.127 4.066 1.00 25.00 H new ATOM 0 HA3 GLY A 59 37.512 6.285 3.534 1.00 25.00 H new ATOM 905 N VAL A 60 38.497 3.912 5.601 1.00 25.00 N ATOM 906 CA VAL A 60 39.579 2.943 5.838 1.00 25.00 C ATOM 907 C VAL A 60 39.037 1.604 6.351 1.00 25.00 C ATOM 908 O VAL A 60 37.939 1.570 6.921 1.00 25.00 O ATOM 909 CB VAL A 60 40.625 3.498 6.869 1.00 25.00 C ATOM 910 CG1 VAL A 60 41.263 4.792 6.348 1.00 50.00 C ATOM 911 CG2 VAL A 60 40.004 3.743 8.258 1.00 50.00 C ATOM 0 H VAL A 60 37.896 4.069 6.410 1.00 25.00 H new ATOM 0 HA VAL A 60 40.068 2.783 4.877 1.00 25.00 H new ATOM 0 HB VAL A 60 41.394 2.734 6.981 1.00 25.00 H new ATOM 0 HG11 VAL A 60 41.985 5.161 7.077 1.00 50.00 H new ATOM 0 HG12 VAL A 60 41.770 4.593 5.404 1.00 50.00 H new ATOM 0 HG13 VAL A 60 40.488 5.543 6.193 1.00 50.00 H new ATOM 0 HG21 VAL A 60 40.767 4.126 8.935 1.00 50.00 H new ATOM 0 HG22 VAL A 60 39.196 4.470 8.172 1.00 50.00 H new ATOM 0 HG23 VAL A 60 39.609 2.806 8.650 1.00 50.00 H new ATOM 921 N PRO A 61 39.777 0.492 6.167 1.00 25.00 N ATOM 922 CA PRO A 61 39.302 -0.742 6.809 1.00 25.00 C ATOM 923 C PRO A 61 39.530 -0.721 8.325 1.00 25.00 C ATOM 924 O PRO A 61 40.478 -0.098 8.817 1.00 25.00 O ATOM 925 CB PRO A 61 40.155 -1.818 6.134 1.00 25.00 C ATOM 926 CG PRO A 61 41.438 -1.128 5.853 1.00 25.00 C ATOM 927 CD PRO A 61 41.029 0.252 5.419 1.00 25.00 C ATOM 0 HA PRO A 61 38.229 -0.898 6.694 1.00 25.00 H new ATOM 0 HB2 PRO A 61 40.299 -2.681 6.784 1.00 25.00 H new ATOM 0 HB3 PRO A 61 39.688 -2.183 5.219 1.00 25.00 H new ATOM 0 HG2 PRO A 61 42.074 -1.095 6.738 1.00 25.00 H new ATOM 0 HG3 PRO A 61 42.003 -1.639 5.073 1.00 25.00 H new ATOM 0 HD2 PRO A 61 41.791 0.992 5.664 1.00 25.00 H new ATOM 0 HD3 PRO A 61 40.869 0.303 4.342 1.00 25.00 H new ATOM 935 N MET A 62 38.682 -1.391 9.094 1.00 25.00 N ATOM 936 CA MET A 62 38.794 -1.321 10.554 1.00 25.00 C ATOM 937 C MET A 62 40.018 -1.987 11.168 1.00 25.00 C ATOM 938 O MET A 62 40.407 -1.632 12.283 1.00 25.00 O ATOM 939 CB MET A 62 37.523 -1.829 11.244 1.00 25.00 C ATOM 940 CG MET A 62 37.269 -3.324 11.154 1.00 25.00 C ATOM 941 SD MET A 62 35.801 -3.786 12.102 1.00 25.00 S ATOM 942 CE MET A 62 34.456 -3.115 11.106 1.00 25.00 C ATOM 0 H MET A 62 37.924 -1.978 8.747 1.00 25.00 H new ATOM 0 HA MET A 62 38.927 -0.255 10.740 1.00 25.00 H new ATOM 0 HB2 MET A 62 37.569 -1.551 12.297 1.00 25.00 H new ATOM 0 HB3 MET A 62 36.667 -1.309 10.814 1.00 25.00 H new ATOM 0 HG2 MET A 62 37.139 -3.613 10.111 1.00 25.00 H new ATOM 0 HG3 MET A 62 38.136 -3.868 11.530 1.00 25.00 H new ATOM 0 HE1 MET A 62 33.503 -3.484 11.486 1.00 25.00 H new ATOM 0 HE2 MET A 62 34.471 -2.026 11.160 1.00 25.00 H new ATOM 0 HE3 MET A 62 34.579 -3.429 10.069 1.00 25.00 H new ATOM 952 N ASN A 63 40.682 -2.883 10.449 1.00 25.00 N ATOM 953 CA ASN A 63 41.907 -3.506 10.960 1.00 25.00 C ATOM 954 C ASN A 63 43.094 -2.541 11.041 1.00 25.00 C ATOM 955 O ASN A 63 44.169 -2.912 11.513 1.00 25.00 O ATOM 956 CB ASN A 63 42.313 -4.734 10.133 1.00 25.00 C ATOM 957 CG ASN A 63 43.052 -4.382 8.864 1.00 25.00 C ATOM 958 OD1 ASN A 63 42.699 -3.464 8.135 1.00 25.00 O ATOM 959 ND2 ASN A 63 44.096 -5.111 8.586 1.00 25.00 N ATOM 0 H ASN A 63 40.401 -3.195 9.520 1.00 25.00 H new ATOM 0 HA ASN A 63 41.659 -3.816 11.975 1.00 25.00 H new ATOM 0 HB2 ASN A 63 42.942 -5.383 10.743 1.00 25.00 H new ATOM 0 HB3 ASN A 63 41.419 -5.304 9.879 1.00 25.00 H new ATOM 0 HD21 ASN A 63 44.640 -4.922 7.744 1.00 25.00 H new ATOM 0 HD22 ASN A 63 44.369 -5.870 9.210 1.00 25.00 H new ATOM 966 N SER A 64 42.902 -1.313 10.568 1.00 25.00 N ATOM 967 CA SER A 64 43.926 -0.275 10.640 1.00 25.00 C ATOM 968 C SER A 64 43.877 0.553 11.922 1.00 25.00 C ATOM 969 O SER A 64 44.813 1.304 12.199 1.00 25.00 O ATOM 970 CB SER A 64 43.795 0.670 9.445 1.00 25.00 C ATOM 971 OG SER A 64 42.605 1.443 9.503 1.00 25.00 O ATOM 0 H SER A 64 42.035 -1.010 10.125 1.00 25.00 H new ATOM 0 HA SER A 64 44.882 -0.799 10.630 1.00 25.00 H new ATOM 0 HB2 SER A 64 44.658 1.335 9.413 1.00 25.00 H new ATOM 0 HB3 SER A 64 43.806 0.090 8.522 1.00 25.00 H new ATOM 0 HG SER A 64 41.836 0.876 9.284 1.00 25.00 H new ATOM 977 N LEU A 65 42.807 0.434 12.702 1.00 25.00 N ATOM 978 CA LEU A 65 42.621 1.259 13.902 1.00 25.00 C ATOM 979 C LEU A 65 42.442 0.414 15.162 1.00 25.00 C ATOM 980 O LEU A 65 42.058 -0.759 15.087 1.00 25.00 O ATOM 981 CB LEU A 65 41.400 2.178 13.744 1.00 25.00 C ATOM 982 CG LEU A 65 41.303 3.156 12.559 1.00 25.00 C ATOM 983 CD1 LEU A 65 40.014 3.967 12.692 1.00 50.00 C ATOM 984 CD2 LEU A 65 42.477 4.126 12.451 1.00 50.00 C ATOM 0 H LEU A 65 42.050 -0.227 12.528 1.00 25.00 H new ATOM 0 HA LEU A 65 43.527 1.855 14.012 1.00 25.00 H new ATOM 0 HB2 LEU A 65 40.519 1.537 13.705 1.00 25.00 H new ATOM 0 HB3 LEU A 65 41.323 2.770 14.656 1.00 25.00 H new ATOM 0 HG LEU A 65 41.316 2.546 11.656 1.00 25.00 H new ATOM 0 HD11 LEU A 65 39.935 4.664 11.857 1.00 50.00 H new ATOM 0 HD12 LEU A 65 39.158 3.293 12.685 1.00 50.00 H new ATOM 0 HD13 LEU A 65 40.029 4.524 13.629 1.00 50.00 H new ATOM 0 HD21 LEU A 65 42.331 4.780 11.591 1.00 50.00 H new ATOM 0 HD22 LEU A 65 42.536 4.728 13.358 1.00 50.00 H new ATOM 0 HD23 LEU A 65 43.403 3.564 12.327 1.00 50.00 H new ATOM 996 N ARG A 66 42.682 1.022 16.318 1.00 25.00 N ATOM 997 CA ARG A 66 42.559 0.381 17.630 1.00 25.00 C ATOM 998 C ARG A 66 41.995 1.371 18.647 1.00 25.00 C ATOM 999 O ARG A 66 42.087 2.586 18.459 1.00 25.00 O ATOM 1000 CB ARG A 66 43.929 -0.131 18.095 1.00 25.00 C ATOM 1001 CG ARG A 66 45.046 0.907 18.033 1.00 25.00 C ATOM 1002 CD ARG A 66 46.340 0.406 18.648 1.00 25.00 C ATOM 1003 NE ARG A 66 47.406 1.397 18.459 1.00 25.00 N ATOM 1004 CZ ARG A 66 48.626 1.366 18.977 1.00 25.00 C ATOM 1005 NH1 ARG A 66 49.061 0.429 19.778 1.00 25.00 N ATOM 1006 NH2 ARG A 66 49.437 2.334 18.662 1.00 25.00 N ATOM 0 H ARG A 66 42.975 1.997 16.375 1.00 25.00 H new ATOM 0 HA ARG A 66 41.876 -0.465 17.547 1.00 25.00 H new ATOM 0 HB2 ARG A 66 43.840 -0.490 19.120 1.00 25.00 H new ATOM 0 HB3 ARG A 66 44.211 -0.987 17.481 1.00 25.00 H new ATOM 0 HG2 ARG A 66 45.224 1.182 16.994 1.00 25.00 H new ATOM 0 HG3 ARG A 66 44.727 1.811 18.552 1.00 25.00 H new ATOM 0 HD2 ARG A 66 46.196 0.214 19.711 1.00 25.00 H new ATOM 0 HD3 ARG A 66 46.627 -0.540 18.189 1.00 25.00 H new ATOM 0 HE ARG A 66 47.184 2.196 17.865 1.00 25.00 H new ATOM 0 HH11 ARG A 66 48.448 -0.342 20.041 1.00 25.00 H new ATOM 0 HH12 ARG A 66 50.014 0.469 20.140 1.00 25.00 H new ATOM 0 HH21 ARG A 66 49.125 3.078 18.038 1.00 25.00 H new ATOM 0 HH22 ARG A 66 50.385 2.348 19.039 1.00 25.00 H new ATOM 1020 N PHE A 67 41.426 0.852 19.726 1.00 25.00 N ATOM 1021 CA PHE A 67 40.845 1.681 20.780 1.00 25.00 C ATOM 1022 C PHE A 67 41.313 1.205 22.152 1.00 25.00 C ATOM 1023 O PHE A 67 41.023 0.080 22.569 1.00 25.00 O ATOM 1024 CB PHE A 67 39.325 1.630 20.668 1.00 25.00 C ATOM 1025 CG PHE A 67 38.626 2.536 21.633 1.00 25.00 C ATOM 1026 CD1 PHE A 67 38.708 3.926 21.479 1.00 25.00 C ATOM 1027 CD2 PHE A 67 37.874 2.008 22.692 1.00 25.00 C ATOM 1028 CE1 PHE A 67 38.023 4.795 22.355 1.00 25.00 C ATOM 1029 CE2 PHE A 67 37.170 2.864 23.567 1.00 25.00 C ATOM 1030 CZ PHE A 67 37.245 4.256 23.393 1.00 25.00 C ATOM 0 H PHE A 67 41.353 -0.151 19.898 1.00 25.00 H new ATOM 0 HA PHE A 67 41.176 2.713 20.662 1.00 25.00 H new ATOM 0 HB2 PHE A 67 39.034 1.899 19.653 1.00 25.00 H new ATOM 0 HB3 PHE A 67 38.990 0.606 20.835 1.00 25.00 H new ATOM 0 HD1 PHE A 67 39.304 4.339 20.678 1.00 25.00 H new ATOM 0 HD2 PHE A 67 37.833 0.939 22.840 1.00 25.00 H new ATOM 0 HE1 PHE A 67 38.096 5.865 22.228 1.00 25.00 H new ATOM 0 HE2 PHE A 67 36.576 2.450 24.368 1.00 25.00 H new ATOM 0 HZ PHE A 67 36.704 4.913 24.058 1.00 25.00 H new ATOM 1040 N LEU A 68 42.115 2.029 22.814 1.00 25.00 N ATOM 1041 CA LEU A 68 42.933 1.580 23.941 1.00 25.00 C ATOM 1042 C LEU A 68 43.302 2.689 24.917 1.00 25.00 C ATOM 1043 O LEU A 68 43.183 3.875 24.601 1.00 25.00 O ATOM 1044 CB LEU A 68 44.233 0.944 23.413 1.00 25.00 C ATOM 1045 CG LEU A 68 45.397 1.794 22.879 1.00 25.00 C ATOM 1046 CD1 LEU A 68 46.580 0.865 22.628 1.00 50.00 C ATOM 1047 CD2 LEU A 68 45.080 2.577 21.609 1.00 50.00 C ATOM 0 H LEU A 68 42.219 3.019 22.590 1.00 25.00 H new ATOM 0 HA LEU A 68 42.323 0.860 24.487 1.00 25.00 H new ATOM 0 HB2 LEU A 68 44.635 0.333 24.221 1.00 25.00 H new ATOM 0 HB3 LEU A 68 43.947 0.264 22.611 1.00 25.00 H new ATOM 0 HG LEU A 68 45.617 2.548 23.634 1.00 25.00 H new ATOM 0 HD11 LEU A 68 47.422 1.443 22.248 1.00 50.00 H new ATOM 0 HD12 LEU A 68 46.865 0.379 23.561 1.00 50.00 H new ATOM 0 HD13 LEU A 68 46.299 0.108 21.896 1.00 50.00 H new ATOM 0 HD21 LEU A 68 45.958 3.147 21.305 1.00 50.00 H new ATOM 0 HD22 LEU A 68 44.804 1.884 20.814 1.00 50.00 H new ATOM 0 HD23 LEU A 68 44.252 3.260 21.800 1.00 50.00 H new ATOM 1059 N PHE A 69 43.792 2.310 26.087 1.00 25.00 N ATOM 1060 CA PHE A 69 44.338 3.268 27.043 1.00 25.00 C ATOM 1061 C PHE A 69 45.477 2.587 27.787 1.00 25.00 C ATOM 1062 O PHE A 69 45.351 1.416 28.155 1.00 25.00 O ATOM 1063 CB PHE A 69 43.257 3.726 28.025 1.00 25.00 C ATOM 1064 CG PHE A 69 43.595 5.012 28.730 1.00 25.00 C ATOM 1065 CD1 PHE A 69 43.236 6.239 28.151 1.00 25.00 C ATOM 1066 CD2 PHE A 69 44.275 5.010 29.957 1.00 25.00 C ATOM 1067 CE1 PHE A 69 43.550 7.467 28.783 1.00 25.00 C ATOM 1068 CE2 PHE A 69 44.608 6.228 30.603 1.00 25.00 C ATOM 1069 CZ PHE A 69 44.242 7.461 30.014 1.00 25.00 C ATOM 0 H PHE A 69 43.824 1.340 26.401 1.00 25.00 H new ATOM 0 HA PHE A 69 44.703 4.152 26.520 1.00 25.00 H new ATOM 0 HB2 PHE A 69 42.318 3.852 27.487 1.00 25.00 H new ATOM 0 HB3 PHE A 69 43.097 2.944 28.768 1.00 25.00 H new ATOM 0 HD1 PHE A 69 42.711 6.247 27.207 1.00 25.00 H new ATOM 0 HD2 PHE A 69 44.548 4.071 30.415 1.00 25.00 H new ATOM 0 HE1 PHE A 69 43.262 8.402 28.326 1.00 25.00 H new ATOM 0 HE2 PHE A 69 45.140 6.214 31.543 1.00 25.00 H new ATOM 0 HZ PHE A 69 44.490 8.392 30.503 1.00 25.00 H new ATOM 1079 N GLU A 70 46.580 3.301 27.978 1.00 25.00 N ATOM 1080 CA GLU A 70 47.764 2.815 28.702 1.00 25.00 C ATOM 1081 C GLU A 70 48.269 1.462 28.160 1.00 25.00 C ATOM 1082 O GLU A 70 48.734 0.584 28.890 1.00 25.00 O ATOM 1083 CB GLU A 70 47.441 2.799 30.204 1.00 25.00 C ATOM 1084 CG GLU A 70 48.629 2.839 31.165 1.00 25.00 C ATOM 1085 CD GLU A 70 48.161 2.893 32.612 1.00 25.00 C ATOM 1086 OE1 GLU A 70 47.236 2.129 32.973 1.00 25.00 O ATOM 1087 OE2 GLU A 70 48.675 3.705 33.415 1.00 25.00 O ATOM 0 H GLU A 70 46.685 4.254 27.630 1.00 25.00 H new ATOM 0 HA GLU A 70 48.602 3.493 28.539 1.00 25.00 H new ATOM 0 HB2 GLU A 70 46.799 3.652 30.422 1.00 25.00 H new ATOM 0 HB3 GLU A 70 46.862 1.901 30.417 1.00 25.00 H new ATOM 0 HG2 GLU A 70 49.253 1.958 31.014 1.00 25.00 H new ATOM 0 HG3 GLU A 70 49.248 3.709 30.947 1.00 25.00 H new ATOM 1094 N GLY A 71 48.146 1.280 26.852 1.00 25.00 N ATOM 1095 CA GLY A 71 48.594 0.065 26.185 1.00 25.00 C ATOM 1096 C GLY A 71 47.629 -1.108 26.147 1.00 25.00 C ATOM 1097 O GLY A 71 47.854 -2.066 25.398 1.00 25.00 O ATOM 0 H GLY A 71 47.733 1.970 26.224 1.00 25.00 H new ATOM 0 HA2 GLY A 71 48.854 0.321 25.158 1.00 25.00 H new ATOM 0 HA3 GLY A 71 49.510 -0.268 26.672 1.00 25.00 H new ATOM 1101 N GLN A 72 46.546 -1.054 26.910 1.00 25.00 N ATOM 1102 CA GLN A 72 45.559 -2.136 26.924 1.00 25.00 C ATOM 1103 C GLN A 72 44.313 -1.716 26.155 1.00 25.00 C ATOM 1104 O GLN A 72 43.737 -0.652 26.414 1.00 25.00 O ATOM 1105 CB GLN A 72 45.169 -2.522 28.357 1.00 25.00 C ATOM 1106 CG GLN A 72 46.296 -3.109 29.221 1.00 25.00 C ATOM 1107 CD GLN A 72 46.799 -4.476 28.764 1.00 25.00 C ATOM 1108 OE1 GLN A 72 46.239 -5.124 27.883 1.00 25.00 O ATOM 1109 NE2 GLN A 72 47.858 -4.931 29.374 1.00 25.00 N ATOM 0 H GLN A 72 46.324 -0.274 27.529 1.00 25.00 H new ATOM 0 HA GLN A 72 46.012 -3.005 26.446 1.00 25.00 H new ATOM 0 HB2 GLN A 72 44.776 -1.637 28.858 1.00 25.00 H new ATOM 0 HB3 GLN A 72 44.357 -3.248 28.310 1.00 25.00 H new ATOM 0 HG2 GLN A 72 47.133 -2.411 29.226 1.00 25.00 H new ATOM 0 HG3 GLN A 72 45.943 -3.191 30.249 1.00 25.00 H new ATOM 0 HE21 GLN A 72 48.306 -4.375 30.102 1.00 25.00 H new ATOM 0 HE22 GLN A 72 48.239 -5.843 29.123 1.00 25.00 H new ATOM 1118 N ARG A 73 43.907 -2.544 25.202 1.00 25.00 N ATOM 1119 CA ARG A 73 42.709 -2.289 24.398 1.00 25.00 C ATOM 1120 C ARG A 73 41.540 -3.019 25.027 1.00 25.00 C ATOM 1121 O ARG A 73 41.747 -3.932 25.827 1.00 25.00 O ATOM 1122 CB ARG A 73 42.916 -2.703 22.934 1.00 25.00 C ATOM 1123 CG ARG A 73 43.109 -4.195 22.663 1.00 25.00 C ATOM 1124 CD ARG A 73 43.255 -4.442 21.167 1.00 25.00 C ATOM 1125 NE ARG A 73 44.488 -3.857 20.616 1.00 25.00 N ATOM 1126 CZ ARG A 73 44.742 -3.634 19.333 1.00 25.00 C ATOM 1127 NH1 ARG A 73 43.913 -3.900 18.356 1.00 25.00 N ATOM 1128 NH2 ARG A 73 45.878 -3.094 19.007 1.00 25.00 N ATOM 0 H ARG A 73 44.393 -3.408 24.962 1.00 25.00 H new ATOM 0 HA ARG A 73 42.500 -1.219 24.386 1.00 25.00 H new ATOM 0 HB2 ARG A 73 42.055 -2.361 22.359 1.00 25.00 H new ATOM 0 HB3 ARG A 73 43.787 -2.172 22.550 1.00 25.00 H new ATOM 0 HG2 ARG A 73 43.994 -4.556 23.187 1.00 25.00 H new ATOM 0 HG3 ARG A 73 42.258 -4.756 23.051 1.00 25.00 H new ATOM 0 HD2 ARG A 73 43.250 -5.515 20.977 1.00 25.00 H new ATOM 0 HD3 ARG A 73 42.394 -4.022 20.647 1.00 25.00 H new ATOM 0 HE ARG A 73 45.215 -3.599 21.283 1.00 25.00 H new ATOM 0 HH11 ARG A 73 43.000 -4.307 18.558 1.00 25.00 H new ATOM 0 HH12 ARG A 73 44.180 -3.700 17.392 1.00 25.00 H new ATOM 0 HH21 ARG A 73 46.553 -2.851 19.731 1.00 25.00 H new ATOM 0 HH22 ARG A 73 46.094 -2.914 18.027 1.00 25.00 H new ATOM 1142 N ILE A 74 40.331 -2.645 24.646 1.00 25.00 N ATOM 1143 CA ILE A 74 39.122 -3.325 25.112 1.00 25.00 C ATOM 1144 C ILE A 74 38.502 -4.026 23.909 1.00 25.00 C ATOM 1145 O ILE A 74 38.835 -3.707 22.763 1.00 25.00 O ATOM 1146 CB ILE A 74 38.124 -2.350 25.803 1.00 25.00 C ATOM 1147 CG1 ILE A 74 37.705 -1.215 24.848 1.00 25.00 C ATOM 1148 CG2 ILE A 74 38.749 -1.791 27.105 1.00 25.00 C ATOM 1149 CD1 ILE A 74 36.486 -0.418 25.296 1.00 25.00 C ATOM 0 H ILE A 74 40.154 -1.868 24.010 1.00 25.00 H new ATOM 0 HA ILE A 74 39.378 -4.055 25.880 1.00 25.00 H new ATOM 0 HB ILE A 74 37.220 -2.901 26.063 1.00 25.00 H new ATOM 0 HG12 ILE A 74 38.545 -0.531 24.729 1.00 25.00 H new ATOM 0 HG13 ILE A 74 37.501 -1.642 23.866 1.00 25.00 H new ATOM 0 HG21 ILE A 74 38.045 -1.110 27.583 1.00 25.00 H new ATOM 0 HG22 ILE A 74 38.975 -2.614 27.783 1.00 25.00 H new ATOM 0 HG23 ILE A 74 39.668 -1.255 26.867 1.00 25.00 H new ATOM 0 HD11 ILE A 74 36.268 0.357 24.561 1.00 25.00 H new ATOM 0 HD12 ILE A 74 35.628 -1.085 25.386 1.00 25.00 H new ATOM 0 HD13 ILE A 74 36.689 0.044 26.262 1.00 25.00 H new ATOM 1161 N ALA A 75 37.636 -4.994 24.163 1.00 25.00 N ATOM 1162 CA ALA A 75 36.981 -5.766 23.113 1.00 25.00 C ATOM 1163 C ALA A 75 35.993 -4.890 22.338 1.00 25.00 C ATOM 1164 O ALA A 75 35.487 -3.901 22.859 1.00 25.00 O ATOM 1165 CB ALA A 75 36.252 -6.959 23.755 1.00 25.00 C ATOM 0 H ALA A 75 37.365 -5.269 25.107 1.00 25.00 H new ATOM 0 HA ALA A 75 37.729 -6.130 22.409 1.00 25.00 H new ATOM 0 HB1 ALA A 75 35.758 -7.544 22.979 1.00 25.00 H new ATOM 0 HB2 ALA A 75 36.973 -7.587 24.279 1.00 25.00 H new ATOM 0 HB3 ALA A 75 35.508 -6.593 24.462 1.00 25.00 H new ATOM 1171 N ASP A 76 35.650 -5.265 21.115 1.00 25.00 N ATOM 1172 CA ASP A 76 34.610 -4.535 20.375 1.00 25.00 C ATOM 1173 C ASP A 76 33.228 -4.815 20.971 1.00 25.00 C ATOM 1174 O ASP A 76 32.304 -4.014 20.866 1.00 25.00 O ATOM 1175 CB ASP A 76 34.610 -4.893 18.888 1.00 25.00 C ATOM 1176 CG ASP A 76 34.052 -6.278 18.612 1.00 25.00 C ATOM 1177 OD1 ASP A 76 34.522 -7.257 19.226 1.00 25.00 O ATOM 1178 OD2 ASP A 76 33.144 -6.416 17.772 1.00 25.00 O ATOM 0 H ASP A 76 36.062 -6.053 20.615 1.00 25.00 H new ATOM 0 HA ASP A 76 34.837 -3.473 20.468 1.00 25.00 H new ATOM 0 HB2 ASP A 76 34.022 -4.155 18.342 1.00 25.00 H new ATOM 0 HB3 ASP A 76 35.629 -4.835 18.506 1.00 25.00 H new ATOM 1183 N ASN A 77 33.111 -5.942 21.659 1.00 25.00 N ATOM 1184 CA ASN A 77 31.876 -6.318 22.342 1.00 25.00 C ATOM 1185 C ASN A 77 31.710 -5.628 23.701 1.00 25.00 C ATOM 1186 O ASN A 77 30.675 -5.756 24.356 1.00 25.00 O ATOM 1187 CB ASN A 77 31.855 -7.841 22.527 1.00 25.00 C ATOM 1188 CG ASN A 77 30.500 -8.356 22.951 1.00 25.00 C ATOM 1189 OD1 ASN A 77 29.473 -7.908 22.456 1.00 25.00 O ATOM 1190 ND2 ASN A 77 30.478 -9.297 23.848 1.00 25.00 N ATOM 0 H ASN A 77 33.865 -6.621 21.761 1.00 25.00 H new ATOM 0 HA ASN A 77 31.043 -5.990 21.721 1.00 25.00 H new ATOM 0 HB2 ASN A 77 32.146 -8.321 21.592 1.00 25.00 H new ATOM 0 HB3 ASN A 77 32.597 -8.123 23.274 1.00 25.00 H new ATOM 0 HD21 ASN A 77 29.587 -9.684 24.159 1.00 25.00 H new ATOM 0 HD22 ASN A 77 31.352 -9.648 24.240 1.00 25.00 H new ATOM 1197 N HIS A 78 32.727 -4.902 24.140 1.00 25.00 N ATOM 1198 CA HIS A 78 32.693 -4.217 25.431 1.00 25.00 C ATOM 1199 C HIS A 78 31.662 -3.088 25.388 1.00 25.00 C ATOM 1200 O HIS A 78 31.534 -2.397 24.371 1.00 25.00 O ATOM 1201 CB HIS A 78 34.089 -3.653 25.712 1.00 25.00 C ATOM 1202 CG HIS A 78 34.242 -3.022 27.061 1.00 25.00 C ATOM 1203 ND1 HIS A 78 33.920 -1.716 27.349 1.00 25.00 N ATOM 1204 CD2 HIS A 78 34.743 -3.526 28.220 1.00 25.00 C ATOM 1205 CE1 HIS A 78 34.229 -1.489 28.626 1.00 25.00 C ATOM 1206 NE2 HIS A 78 34.736 -2.561 29.201 1.00 25.00 N ATOM 0 H HIS A 78 33.594 -4.769 23.619 1.00 25.00 H new ATOM 0 HA HIS A 78 32.410 -4.911 26.223 1.00 25.00 H new ATOM 0 HB2 HIS A 78 34.818 -4.457 25.616 1.00 25.00 H new ATOM 0 HB3 HIS A 78 34.329 -2.913 24.949 1.00 25.00 H new ATOM 0 HD2 HIS A 78 35.096 -4.538 28.352 1.00 25.00 H new ATOM 0 HE1 HIS A 78 34.082 -0.544 29.127 1.00 25.00 H new ATOM 0 HE2 HIS A 78 35.055 -2.655 30.165 1.00 25.00 H new ATOM 1214 N THR A 79 30.960 -2.866 26.492 1.00 25.00 N ATOM 1215 CA THR A 79 30.001 -1.767 26.617 1.00 25.00 C ATOM 1216 C THR A 79 30.474 -0.864 27.756 1.00 25.00 C ATOM 1217 O THR A 79 31.027 -1.368 28.736 1.00 25.00 O ATOM 1218 CB THR A 79 28.595 -2.292 27.005 1.00 25.00 C ATOM 1219 OG1 THR A 79 28.680 -3.043 28.219 1.00 25.00 O ATOM 1220 CG2 THR A 79 28.009 -3.210 25.963 1.00 25.00 C ATOM 0 H THR A 79 31.037 -3.442 27.330 1.00 25.00 H new ATOM 0 HA THR A 79 29.941 -1.244 25.663 1.00 25.00 H new ATOM 0 HB THR A 79 27.957 -1.414 27.107 1.00 25.00 H new ATOM 0 HG1 THR A 79 27.830 -3.504 28.379 1.00 25.00 H new ATOM 0 HG21 THR A 79 27.024 -3.547 26.287 1.00 25.00 H new ATOM 0 HG22 THR A 79 27.916 -2.675 25.018 1.00 25.00 H new ATOM 0 HG23 THR A 79 28.662 -4.073 25.829 1.00 25.00 H new ATOM 1228 N PRO A 80 30.211 0.456 27.713 1.00 25.00 N ATOM 1229 CA PRO A 80 30.539 1.212 28.932 1.00 25.00 C ATOM 1230 C PRO A 80 29.692 0.844 30.152 1.00 25.00 C ATOM 1231 O PRO A 80 30.072 1.170 31.277 1.00 25.00 O ATOM 1232 CB PRO A 80 30.305 2.664 28.504 1.00 25.00 C ATOM 1233 CG PRO A 80 29.261 2.570 27.462 1.00 25.00 C ATOM 1234 CD PRO A 80 29.679 1.359 26.676 1.00 25.00 C ATOM 0 HA PRO A 80 31.553 1.001 29.271 1.00 25.00 H new ATOM 0 HB2 PRO A 80 29.977 3.279 29.342 1.00 25.00 H new ATOM 0 HB3 PRO A 80 31.217 3.117 28.115 1.00 25.00 H new ATOM 0 HG2 PRO A 80 28.268 2.448 27.895 1.00 25.00 H new ATOM 0 HG3 PRO A 80 29.230 3.464 26.840 1.00 25.00 H new ATOM 0 HD2 PRO A 80 28.838 0.913 26.145 1.00 25.00 H new ATOM 0 HD3 PRO A 80 30.434 1.604 25.929 1.00 25.00 H new ATOM 1242 N LYS A 81 28.609 0.090 29.980 1.00 25.00 N ATOM 1243 CA LYS A 81 27.888 -0.474 31.127 1.00 25.00 C ATOM 1244 C LYS A 81 28.787 -1.369 31.970 1.00 25.00 C ATOM 1245 O LYS A 81 28.629 -1.408 33.180 1.00 25.00 O ATOM 1246 CB LYS A 81 26.684 -1.311 30.689 1.00 25.00 C ATOM 1247 CG LYS A 81 25.544 -0.525 30.053 1.00 25.00 C ATOM 1248 CD LYS A 81 24.297 -1.386 29.841 1.00 25.00 C ATOM 1249 CE LYS A 81 24.506 -2.479 28.792 1.00 25.00 C ATOM 1250 NZ LYS A 81 23.237 -3.205 28.479 1.00 25.00 N ATOM 0 H LYS A 81 28.212 -0.145 29.070 1.00 25.00 H new ATOM 0 HA LYS A 81 27.552 0.381 31.713 1.00 25.00 H new ATOM 0 HB2 LYS A 81 27.025 -2.065 29.979 1.00 25.00 H new ATOM 0 HB3 LYS A 81 26.297 -1.843 31.558 1.00 25.00 H new ATOM 0 HG2 LYS A 81 25.293 0.325 30.687 1.00 25.00 H new ATOM 0 HG3 LYS A 81 25.873 -0.122 29.095 1.00 25.00 H new ATOM 0 HD2 LYS A 81 24.013 -1.846 30.787 1.00 25.00 H new ATOM 0 HD3 LYS A 81 23.468 -0.748 29.535 1.00 25.00 H new ATOM 0 HE2 LYS A 81 24.904 -2.035 27.880 1.00 25.00 H new ATOM 0 HE3 LYS A 81 25.251 -3.189 29.152 1.00 25.00 H new ATOM 0 HZ1 LYS A 81 23.423 -3.937 27.764 1.00 25.00 H new ATOM 0 HZ2 LYS A 81 22.870 -3.651 29.344 1.00 25.00 H new ATOM 0 HZ3 LYS A 81 22.534 -2.533 28.111 1.00 25.00 H new ATOM 1264 N GLU A 82 29.764 -2.031 31.368 1.00 25.00 N ATOM 1265 CA GLU A 82 30.687 -2.882 32.122 1.00 25.00 C ATOM 1266 C GLU A 82 31.558 -2.071 33.080 1.00 25.00 C ATOM 1267 O GLU A 82 32.001 -2.581 34.106 1.00 25.00 O ATOM 1268 CB GLU A 82 31.602 -3.662 31.171 1.00 25.00 C ATOM 1269 CG GLU A 82 30.902 -4.736 30.345 1.00 25.00 C ATOM 1270 CD GLU A 82 30.890 -6.097 31.032 1.00 25.00 C ATOM 1271 OE1 GLU A 82 30.314 -6.250 32.134 1.00 25.00 O ATOM 1272 OE2 GLU A 82 31.459 -7.057 30.465 1.00 25.00 O ATOM 0 H GLU A 82 29.942 -1.999 30.364 1.00 25.00 H new ATOM 0 HA GLU A 82 30.074 -3.571 32.703 1.00 25.00 H new ATOM 0 HB2 GLU A 82 32.082 -2.957 30.492 1.00 25.00 H new ATOM 0 HB3 GLU A 82 32.394 -4.131 31.755 1.00 25.00 H new ATOM 0 HG2 GLU A 82 29.876 -4.425 30.148 1.00 25.00 H new ATOM 0 HG3 GLU A 82 31.399 -4.826 29.379 1.00 25.00 H new ATOM 1279 N LEU A 83 31.805 -0.805 32.772 1.00 25.00 N ATOM 1280 CA LEU A 83 32.625 0.049 33.637 1.00 25.00 C ATOM 1281 C LEU A 83 31.781 0.641 34.772 1.00 25.00 C ATOM 1282 O LEU A 83 32.295 0.974 35.844 1.00 25.00 O ATOM 1283 CB LEU A 83 33.268 1.171 32.813 1.00 25.00 C ATOM 1284 CG LEU A 83 34.139 0.760 31.615 1.00 25.00 C ATOM 1285 CD1 LEU A 83 34.543 1.997 30.823 1.00 50.00 C ATOM 1286 CD2 LEU A 83 35.388 -0.020 32.018 1.00 50.00 C ATOM 0 H LEU A 83 31.453 -0.343 31.934 1.00 25.00 H new ATOM 0 HA LEU A 83 33.413 -0.562 34.079 1.00 25.00 H new ATOM 0 HB2 LEU A 83 32.471 1.817 32.444 1.00 25.00 H new ATOM 0 HB3 LEU A 83 33.881 1.773 33.484 1.00 25.00 H new ATOM 0 HG LEU A 83 33.533 0.093 31.001 1.00 25.00 H new ATOM 0 HD11 LEU A 83 35.160 1.701 29.975 1.00 50.00 H new ATOM 0 HD12 LEU A 83 33.649 2.505 30.461 1.00 50.00 H new ATOM 0 HD13 LEU A 83 35.109 2.672 31.465 1.00 50.00 H new ATOM 0 HD21 LEU A 83 35.958 -0.280 31.126 1.00 50.00 H new ATOM 0 HD22 LEU A 83 36.003 0.593 32.677 1.00 50.00 H new ATOM 0 HD23 LEU A 83 35.095 -0.931 32.539 1.00 50.00 H new ATOM 1298 N GLY A 84 30.478 0.743 34.546 1.00 25.00 N ATOM 1299 CA GLY A 84 29.522 1.112 35.584 1.00 25.00 C ATOM 1300 C GLY A 84 29.397 2.558 36.041 1.00 25.00 C ATOM 1301 O GLY A 84 28.295 3.001 36.373 1.00 25.00 O ATOM 0 H GLY A 84 30.052 0.572 33.635 1.00 25.00 H new ATOM 0 HA2 GLY A 84 28.537 0.797 35.240 1.00 25.00 H new ATOM 0 HA3 GLY A 84 29.758 0.515 36.465 1.00 25.00 H new ATOM 1305 N MET A 85 30.490 3.306 36.104 1.00 25.00 N ATOM 1306 CA MET A 85 30.465 4.654 36.689 1.00 25.00 C ATOM 1307 C MET A 85 29.913 5.748 35.774 1.00 25.00 C ATOM 1308 O MET A 85 29.581 6.834 36.242 1.00 25.00 O ATOM 1309 CB MET A 85 31.862 5.055 37.167 1.00 25.00 C ATOM 1310 CG MET A 85 32.515 4.057 38.124 1.00 25.00 C ATOM 1311 SD MET A 85 31.485 3.597 39.543 1.00 25.00 S ATOM 1312 CE MET A 85 31.363 5.153 40.447 1.00 25.00 C ATOM 0 H MET A 85 31.404 3.011 35.761 1.00 25.00 H new ATOM 0 HA MET A 85 29.769 4.580 37.525 1.00 25.00 H new ATOM 0 HB2 MET A 85 32.507 5.181 36.298 1.00 25.00 H new ATOM 0 HB3 MET A 85 31.799 6.025 37.661 1.00 25.00 H new ATOM 0 HG2 MET A 85 32.772 3.155 37.569 1.00 25.00 H new ATOM 0 HG3 MET A 85 33.449 4.482 38.491 1.00 25.00 H new ATOM 0 HE1 MET A 85 30.771 5.004 41.350 1.00 25.00 H new ATOM 0 HE2 MET A 85 32.361 5.494 40.720 1.00 25.00 H new ATOM 0 HE3 MET A 85 30.883 5.903 39.818 1.00 25.00 H new ATOM 1322 N GLU A 86 29.799 5.439 34.488 1.00 25.00 N ATOM 1323 CA GLU A 86 29.212 6.267 33.418 1.00 25.00 C ATOM 1324 C GLU A 86 29.879 7.594 33.032 1.00 25.00 C ATOM 1325 O GLU A 86 29.740 8.041 31.890 1.00 25.00 O ATOM 1326 CB GLU A 86 27.717 6.512 33.663 1.00 25.00 C ATOM 1327 CG GLU A 86 26.901 5.241 33.890 1.00 25.00 C ATOM 1328 CD GLU A 86 25.404 5.501 33.981 1.00 25.00 C ATOM 1329 OE1 GLU A 86 24.873 6.350 33.233 1.00 25.00 O ATOM 1330 OE2 GLU A 86 24.729 4.862 34.823 1.00 25.00 O ATOM 0 H GLU A 86 30.134 4.544 34.131 1.00 25.00 H new ATOM 0 HA GLU A 86 29.405 5.634 32.552 1.00 25.00 H new ATOM 0 HB2 GLU A 86 27.605 7.162 34.531 1.00 25.00 H new ATOM 0 HB3 GLU A 86 27.304 7.047 32.808 1.00 25.00 H new ATOM 0 HG2 GLU A 86 27.094 4.542 33.076 1.00 25.00 H new ATOM 0 HG3 GLU A 86 27.237 4.760 34.809 1.00 25.00 H new ATOM 1337 N GLU A 87 30.593 8.240 33.944 1.00 25.00 N ATOM 1338 CA GLU A 87 31.215 9.539 33.669 1.00 25.00 C ATOM 1339 C GLU A 87 32.707 9.658 34.001 1.00 25.00 C ATOM 1340 O GLU A 87 33.280 10.742 33.887 1.00 25.00 O ATOM 1341 CB GLU A 87 30.427 10.626 34.418 1.00 25.00 C ATOM 1342 CG GLU A 87 30.485 10.550 35.947 1.00 25.00 C ATOM 1343 CD GLU A 87 29.628 11.626 36.598 1.00 25.00 C ATOM 1344 OE1 GLU A 87 29.893 12.828 36.364 1.00 25.00 O ATOM 1345 OE2 GLU A 87 28.670 11.307 37.345 1.00 25.00 O ATOM 0 H GLU A 87 30.759 7.888 34.887 1.00 25.00 H new ATOM 0 HA GLU A 87 31.171 9.662 32.587 1.00 25.00 H new ATOM 0 HB2 GLU A 87 30.801 11.601 34.106 1.00 25.00 H new ATOM 0 HB3 GLU A 87 29.383 10.571 34.109 1.00 25.00 H new ATOM 0 HG2 GLU A 87 30.147 9.567 36.275 1.00 25.00 H new ATOM 0 HG3 GLU A 87 31.518 10.658 36.278 1.00 25.00 H new ATOM 1352 N GLU A 88 33.356 8.586 34.433 1.00 25.00 N ATOM 1353 CA GLU A 88 34.708 8.708 34.997 1.00 25.00 C ATOM 1354 C GLU A 88 35.862 8.264 34.096 1.00 25.00 C ATOM 1355 O GLU A 88 36.918 8.901 34.095 1.00 25.00 O ATOM 1356 CB GLU A 88 34.794 7.942 36.321 1.00 25.00 C ATOM 1357 CG GLU A 88 33.832 8.458 37.391 1.00 25.00 C ATOM 1358 CD GLU A 88 34.085 7.854 38.769 1.00 25.00 C ATOM 1359 OE1 GLU A 88 34.810 6.839 38.901 1.00 25.00 O ATOM 1360 OE2 GLU A 88 33.565 8.416 39.763 1.00 25.00 O ATOM 0 H GLU A 88 32.984 7.636 34.409 1.00 25.00 H new ATOM 0 HA GLU A 88 34.842 9.781 35.130 1.00 25.00 H new ATOM 0 HB2 GLU A 88 34.586 6.888 36.135 1.00 25.00 H new ATOM 0 HB3 GLU A 88 35.814 8.004 36.701 1.00 25.00 H new ATOM 0 HG2 GLU A 88 33.919 9.543 37.455 1.00 25.00 H new ATOM 0 HG3 GLU A 88 32.809 8.237 37.087 1.00 25.00 H new ATOM 1367 N ASP A 89 35.697 7.189 33.340 1.00 25.00 N ATOM 1368 CA ASP A 89 36.805 6.641 32.548 1.00 25.00 C ATOM 1369 C ASP A 89 36.973 7.335 31.192 1.00 25.00 C ATOM 1370 O ASP A 89 36.014 7.922 30.668 1.00 25.00 O ATOM 1371 CB ASP A 89 36.591 5.140 32.324 1.00 25.00 C ATOM 1372 CG ASP A 89 37.898 4.348 32.302 1.00 25.00 C ATOM 1373 OD1 ASP A 89 39.003 4.937 32.201 1.00 25.00 O ATOM 1374 OD2 ASP A 89 37.834 3.109 32.450 1.00 25.00 O ATOM 0 H ASP A 89 34.819 6.678 33.253 1.00 25.00 H new ATOM 0 HA ASP A 89 37.716 6.819 33.119 1.00 25.00 H new ATOM 0 HB2 ASP A 89 35.948 4.748 33.113 1.00 25.00 H new ATOM 0 HB3 ASP A 89 36.066 4.990 31.381 1.00 25.00 H new ATOM 1379 N VAL A 90 38.175 7.245 30.632 1.00 25.00 N ATOM 1380 CA VAL A 90 38.529 7.796 29.318 1.00 25.00 C ATOM 1381 C VAL A 90 39.339 6.719 28.592 1.00 25.00 C ATOM 1382 O VAL A 90 40.232 6.125 29.209 1.00 25.00 O ATOM 1383 CB VAL A 90 39.414 9.077 29.444 1.00 25.00 C ATOM 1384 CG1 VAL A 90 39.731 9.681 28.064 1.00 50.00 C ATOM 1385 CG2 VAL A 90 38.729 10.137 30.316 1.00 50.00 C ATOM 0 H VAL A 90 38.956 6.774 31.089 1.00 25.00 H new ATOM 0 HA VAL A 90 37.619 8.071 28.784 1.00 25.00 H new ATOM 0 HB VAL A 90 40.348 8.772 29.917 1.00 25.00 H new ATOM 0 HG11 VAL A 90 40.348 10.571 28.189 1.00 50.00 H new ATOM 0 HG12 VAL A 90 40.268 8.949 27.461 1.00 50.00 H new ATOM 0 HG13 VAL A 90 38.802 9.952 27.563 1.00 50.00 H new ATOM 0 HG21 VAL A 90 39.367 11.018 30.387 1.00 50.00 H new ATOM 0 HG22 VAL A 90 37.775 10.415 29.868 1.00 50.00 H new ATOM 0 HG23 VAL A 90 38.558 9.732 31.313 1.00 50.00 H new ATOM 1395 N ILE A 91 39.040 6.441 27.327 1.00 25.00 N ATOM 1396 CA ILE A 91 39.770 5.446 26.524 1.00 25.00 C ATOM 1397 C ILE A 91 39.955 6.132 25.155 1.00 25.00 C ATOM 1398 O ILE A 91 39.136 6.973 24.800 1.00 25.00 O ATOM 1399 CB ILE A 91 38.997 4.079 26.448 1.00 25.00 C ATOM 1400 CG1 ILE A 91 38.687 3.532 27.861 1.00 25.00 C ATOM 1401 CG2 ILE A 91 39.819 3.017 25.663 1.00 25.00 C ATOM 1402 CD1 ILE A 91 37.800 2.282 27.936 1.00 25.00 C ATOM 0 H ILE A 91 38.282 6.898 26.821 1.00 25.00 H new ATOM 0 HA ILE A 91 40.731 5.168 26.957 1.00 25.00 H new ATOM 0 HB ILE A 91 38.060 4.270 25.925 1.00 25.00 H new ATOM 0 HG12 ILE A 91 39.633 3.308 28.355 1.00 25.00 H new ATOM 0 HG13 ILE A 91 38.207 4.325 28.435 1.00 25.00 H new ATOM 0 HG21 ILE A 91 39.262 2.081 25.625 1.00 25.00 H new ATOM 0 HG22 ILE A 91 39.999 3.373 24.649 1.00 25.00 H new ATOM 0 HG23 ILE A 91 40.773 2.852 26.164 1.00 25.00 H new ATOM 0 HD11 ILE A 91 37.657 1.999 28.979 1.00 25.00 H new ATOM 0 HD12 ILE A 91 36.832 2.495 27.482 1.00 25.00 H new ATOM 0 HD13 ILE A 91 38.280 1.463 27.400 1.00 25.00 H new ATOM 1414 N GLU A 92 41.038 5.888 24.424 1.00 25.00 N ATOM 1415 CA GLU A 92 41.438 6.740 23.293 1.00 25.00 C ATOM 1416 C GLU A 92 41.539 6.001 21.948 1.00 25.00 C ATOM 1417 O GLU A 92 41.898 4.822 21.899 1.00 25.00 O ATOM 1418 CB GLU A 92 42.812 7.338 23.612 1.00 25.00 C ATOM 1419 CG GLU A 92 42.892 8.175 24.895 1.00 25.00 C ATOM 1420 CD GLU A 92 44.325 8.522 25.293 1.00 25.00 C ATOM 1421 OE1 GLU A 92 45.213 7.635 25.267 1.00 25.00 O ATOM 1422 OE2 GLU A 92 44.587 9.688 25.677 1.00 25.00 O ATOM 0 H GLU A 92 41.664 5.101 24.592 1.00 25.00 H new ATOM 0 HA GLU A 92 40.660 7.494 23.178 1.00 25.00 H new ATOM 0 HB2 GLU A 92 43.534 6.524 23.685 1.00 25.00 H new ATOM 0 HB3 GLU A 92 43.120 7.962 22.773 1.00 25.00 H new ATOM 0 HG2 GLU A 92 42.326 9.096 24.757 1.00 25.00 H new ATOM 0 HG3 GLU A 92 42.417 7.628 25.709 1.00 25.00 H new ATOM 1429 N VAL A 93 41.233 6.696 20.858 1.00 25.00 N ATOM 1430 CA VAL A 93 41.280 6.135 19.499 1.00 25.00 C ATOM 1431 C VAL A 93 42.651 6.389 18.866 1.00 25.00 C ATOM 1432 O VAL A 93 43.124 7.534 18.869 1.00 25.00 O ATOM 1433 CB VAL A 93 40.211 6.823 18.578 1.00 25.00 C ATOM 1434 CG1 VAL A 93 40.183 6.194 17.173 1.00 50.00 C ATOM 1435 CG2 VAL A 93 38.795 6.745 19.184 1.00 50.00 C ATOM 0 H VAL A 93 40.942 7.673 20.886 1.00 25.00 H new ATOM 0 HA VAL A 93 41.082 5.066 19.582 1.00 25.00 H new ATOM 0 HB VAL A 93 40.509 7.869 18.500 1.00 25.00 H new ATOM 0 HG11 VAL A 93 39.431 6.696 16.564 1.00 50.00 H new ATOM 0 HG12 VAL A 93 41.161 6.304 16.705 1.00 50.00 H new ATOM 0 HG13 VAL A 93 39.937 5.135 17.253 1.00 50.00 H new ATOM 0 HG21 VAL A 93 38.086 7.233 18.515 1.00 50.00 H new ATOM 0 HG22 VAL A 93 38.512 5.700 19.314 1.00 50.00 H new ATOM 0 HG23 VAL A 93 38.785 7.247 20.152 1.00 50.00 H new ATOM 1445 N TYR A 94 43.279 5.364 18.301 1.00 25.00 N ATOM 1446 CA TYR A 94 44.541 5.514 17.567 1.00 25.00 C ATOM 1447 C TYR A 94 44.576 4.587 16.355 1.00 25.00 C ATOM 1448 O TYR A 94 43.845 3.604 16.303 1.00 25.00 O ATOM 1449 CB TYR A 94 45.734 5.191 18.474 1.00 25.00 C ATOM 1450 CG TYR A 94 46.035 6.299 19.460 1.00 25.00 C ATOM 1451 CD1 TYR A 94 46.850 7.383 19.074 1.00 25.00 C ATOM 1452 CD2 TYR A 94 45.496 6.295 20.764 1.00 25.00 C ATOM 1453 CE1 TYR A 94 47.094 8.463 19.959 1.00 25.00 C ATOM 1454 CE2 TYR A 94 45.771 7.362 21.661 1.00 25.00 C ATOM 1455 CZ TYR A 94 46.539 8.444 21.239 1.00 25.00 C ATOM 1456 OH TYR A 94 46.745 9.506 22.079 1.00 25.00 O ATOM 0 H TYR A 94 42.933 4.405 18.336 1.00 25.00 H new ATOM 0 HA TYR A 94 44.607 6.549 17.232 1.00 25.00 H new ATOM 0 HB2 TYR A 94 45.531 4.270 19.020 1.00 25.00 H new ATOM 0 HB3 TYR A 94 46.615 5.009 17.858 1.00 25.00 H new ATOM 0 HD1 TYR A 94 47.295 7.390 18.090 1.00 25.00 H new ATOM 0 HD2 TYR A 94 44.870 5.475 21.083 1.00 25.00 H new ATOM 0 HE1 TYR A 94 47.706 9.296 19.644 1.00 25.00 H new ATOM 0 HE2 TYR A 94 45.385 7.334 22.669 1.00 25.00 H new ATOM 0 HH TYR A 94 46.292 9.341 22.932 1.00 25.00 H new ATOM 1466 N GLN A 95 45.448 4.860 15.394 1.00 25.00 N ATOM 1467 CA GLN A 95 45.754 3.873 14.358 1.00 25.00 C ATOM 1468 C GLN A 95 46.597 2.767 14.997 1.00 25.00 C ATOM 1469 O GLN A 95 47.180 2.959 16.069 1.00 25.00 O ATOM 1470 CB GLN A 95 46.471 4.518 13.161 1.00 25.00 C ATOM 1471 CG GLN A 95 47.873 5.055 13.446 1.00 25.00 C ATOM 1472 CD GLN A 95 48.479 5.807 12.271 1.00 25.00 C ATOM 1473 OE1 GLN A 95 48.202 5.533 11.105 1.00 25.00 O ATOM 1474 NE2 GLN A 95 49.286 6.789 12.571 1.00 25.00 N ATOM 0 H GLN A 95 45.952 5.743 15.307 1.00 25.00 H new ATOM 0 HA GLN A 95 44.831 3.449 13.962 1.00 25.00 H new ATOM 0 HB2 GLN A 95 46.539 3.782 12.360 1.00 25.00 H new ATOM 0 HB3 GLN A 95 45.856 5.337 12.789 1.00 25.00 H new ATOM 0 HG2 GLN A 95 47.832 5.718 14.310 1.00 25.00 H new ATOM 0 HG3 GLN A 95 48.526 4.224 13.712 1.00 25.00 H new ATOM 0 HE21 GLN A 95 49.498 6.994 13.547 1.00 25.00 H new ATOM 0 HE22 GLN A 95 49.704 7.351 11.829 1.00 25.00 H new ATOM 1483 N GLU A 96 46.663 1.605 14.364 1.00 25.00 N ATOM 1484 CA GLU A 96 47.515 0.515 14.840 1.00 25.00 C ATOM 1485 C GLU A 96 48.974 0.951 14.687 1.00 25.00 C ATOM 1486 O GLU A 96 49.298 1.768 13.826 1.00 25.00 O ATOM 1487 CB GLU A 96 47.271 -0.764 14.025 1.00 25.00 C ATOM 1488 CG GLU A 96 45.904 -1.439 14.221 1.00 25.00 C ATOM 1489 CD GLU A 96 45.768 -2.263 15.503 1.00 25.00 C ATOM 1490 OE1 GLU A 96 46.704 -2.314 16.330 1.00 25.00 O ATOM 1491 OE2 GLU A 96 44.719 -2.919 15.695 1.00 25.00 O ATOM 0 H GLU A 96 46.137 1.388 13.517 1.00 25.00 H new ATOM 0 HA GLU A 96 47.283 0.300 15.883 1.00 25.00 H new ATOM 0 HB2 GLU A 96 47.387 -0.525 12.968 1.00 25.00 H new ATOM 0 HB3 GLU A 96 48.049 -1.485 14.276 1.00 25.00 H new ATOM 0 HG2 GLU A 96 45.132 -0.670 14.218 1.00 25.00 H new ATOM 0 HG3 GLU A 96 45.710 -2.088 13.367 1.00 25.00 H new