USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 839 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 4 LYS NZ :NH3+ 170:sc= 0.264 (180deg=0.225) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 27:sc= 0.0264 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= -0.0239 (180deg=-0.136) USER MOD Single : A 24 LYS NZ :NH3+ -138:sc= 0.669 (180deg=-0.431) USER MOD Single : A 31 TYR OH : rot 30:sc= 0.0277 USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= -0.0896 (180deg=-2.49!) USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -1.9! (180deg=-2.24!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -126:sc= 0.727 (180deg=0.124) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0112 F(o=-1.4!,f=-0.011) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= -0.0054 (180deg=-0.0838) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.768 F(o=-2.8!,f=-0.77) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= -0.134 (180deg=-0.612) USER MOD Single : A 67 LYS NZ :NH3+ -115:sc= 0.411 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= 1.03 (180deg=0.789) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000125) USER MOD Single : A 78 GLN : amide:sc= -0.619 K(o=-0.62,f=-3.9!) USER MOD Single : A 83 LYS NZ :NH3+ -155:sc= 0.293 (180deg=-0.709) USER MOD Single : A 85 THR OG1 : rot 76:sc= 0.228 USER MOD Single : A 89 GLN : amide:sc= -0.0332 X(o=-0.033,f=-0.033) USER MOD Single : A 91 LYS NZ :NH3+ -135:sc= -0.166 (180deg=-1.99!) USER MOD Single : A 92 GLN : amide:sc= -0.0759 X(o=-0.076,f=-0.076) USER MOD Single : A 98 LYS NZ :NH3+ -139:sc= 1.13 (180deg=0.183) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 1.269 9.580 -9.117 1.00 11.22 N ATOM 39 CA LYS A 4 1.867 8.789 -8.046 1.00 2.42 C ATOM 40 C LYS A 4 0.880 7.728 -7.587 1.00 32.12 C ATOM 41 O LYS A 4 -0.330 7.957 -7.568 1.00 23.22 O ATOM 42 CB LYS A 4 2.322 9.710 -6.865 1.00 63.43 C ATOM 43 CG LYS A 4 2.822 8.970 -5.581 1.00 70.25 C ATOM 44 CD LYS A 4 3.909 9.755 -4.802 1.00 14.21 C ATOM 45 CE LYS A 4 3.549 11.228 -4.508 1.00 60.24 C ATOM 46 NZ LYS A 4 4.725 11.974 -3.953 1.00 25.33 N ATOM 0 HA LYS A 4 2.759 8.287 -8.421 1.00 2.42 H new ATOM 0 HB2 LYS A 4 3.121 10.359 -7.222 1.00 63.43 H new ATOM 0 HB3 LYS A 4 1.487 10.354 -6.589 1.00 63.43 H new ATOM 0 HG2 LYS A 4 1.973 8.788 -4.922 1.00 70.25 H new ATOM 0 HG3 LYS A 4 3.221 7.996 -5.864 1.00 70.25 H new ATOM 0 HD2 LYS A 4 4.100 9.246 -3.858 1.00 14.21 H new ATOM 0 HD3 LYS A 4 4.837 9.728 -5.372 1.00 14.21 H new ATOM 0 HE2 LYS A 4 3.208 11.711 -5.424 1.00 60.24 H new ATOM 0 HE3 LYS A 4 2.722 11.268 -3.799 1.00 60.24 H new ATOM 0 HZ1 LYS A 4 4.509 12.991 -3.924 1.00 25.33 H new ATOM 0 HZ2 LYS A 4 4.928 11.636 -2.991 1.00 25.33 H new ATOM 0 HZ3 LYS A 4 5.555 11.814 -4.559 1.00 25.33 H new ATOM 60 N ILE A 5 1.397 6.541 -7.282 1.00 42.50 N ATOM 61 CA ILE A 5 0.632 5.494 -6.598 1.00 15.34 C ATOM 62 C ILE A 5 1.365 5.148 -5.296 1.00 61.33 C ATOM 63 O ILE A 5 2.604 5.175 -5.237 1.00 25.25 O ATOM 64 CB ILE A 5 0.410 4.210 -7.486 1.00 61.20 C ATOM 65 CG1 ILE A 5 1.759 3.523 -7.841 1.00 72.32 C ATOM 66 CG2 ILE A 5 -0.401 4.553 -8.767 1.00 13.31 C ATOM 67 CD1 ILE A 5 1.628 2.192 -8.566 1.00 30.00 C ATOM 0 H ILE A 5 2.357 6.275 -7.500 1.00 42.50 H new ATOM 0 HA ILE A 5 -0.368 5.873 -6.388 1.00 15.34 H new ATOM 0 HB ILE A 5 -0.173 3.500 -6.900 1.00 61.20 H new ATOM 0 HG12 ILE A 5 2.344 4.202 -8.461 1.00 72.32 H new ATOM 0 HG13 ILE A 5 2.323 3.366 -6.922 1.00 72.32 H new ATOM 0 HG21 ILE A 5 -0.540 3.650 -9.362 1.00 13.31 H new ATOM 0 HG22 ILE A 5 -1.374 4.955 -8.485 1.00 13.31 H new ATOM 0 HG23 ILE A 5 0.142 5.294 -9.354 1.00 13.31 H new ATOM 0 HD11 ILE A 5 2.620 1.790 -8.771 1.00 30.00 H new ATOM 0 HD12 ILE A 5 1.074 1.491 -7.942 1.00 30.00 H new ATOM 0 HD13 ILE A 5 1.095 2.340 -9.505 1.00 30.00 H new ATOM 79 N ILE A 6 0.600 4.847 -4.254 1.00 0.33 N ATOM 80 CA ILE A 6 1.143 4.588 -2.919 1.00 43.12 C ATOM 81 C ILE A 6 0.910 3.128 -2.567 1.00 72.43 C ATOM 82 O ILE A 6 -0.221 2.724 -2.319 1.00 31.42 O ATOM 83 CB ILE A 6 0.489 5.508 -1.823 1.00 64.31 C ATOM 84 CG1 ILE A 6 0.760 7.022 -2.109 1.00 14.22 C ATOM 85 CG2 ILE A 6 0.973 5.110 -0.408 1.00 3.32 C ATOM 86 CD1 ILE A 6 2.217 7.453 -2.092 1.00 60.31 C ATOM 0 H ILE A 6 -0.416 4.775 -4.307 1.00 0.33 H new ATOM 0 HA ILE A 6 2.209 4.814 -2.938 1.00 43.12 H new ATOM 0 HB ILE A 6 -0.590 5.357 -1.865 1.00 64.31 H new ATOM 0 HG12 ILE A 6 0.340 7.268 -3.085 1.00 14.22 H new ATOM 0 HG13 ILE A 6 0.218 7.613 -1.371 1.00 14.22 H new ATOM 0 HG21 ILE A 6 0.507 5.760 0.332 1.00 3.32 H new ATOM 0 HG22 ILE A 6 0.697 4.075 -0.207 1.00 3.32 H new ATOM 0 HG23 ILE A 6 2.057 5.214 -0.351 1.00 3.32 H new ATOM 0 HD11 ILE A 6 2.283 8.520 -2.303 1.00 60.31 H new ATOM 0 HD12 ILE A 6 2.645 7.250 -1.110 1.00 60.31 H new ATOM 0 HD13 ILE A 6 2.769 6.899 -2.851 1.00 60.31 H new ATOM 98 N VAL A 7 1.976 2.333 -2.584 1.00 33.12 N ATOM 99 CA VAL A 7 1.940 0.965 -2.087 1.00 10.11 C ATOM 100 C VAL A 7 2.057 0.976 -0.553 1.00 51.12 C ATOM 101 O VAL A 7 3.006 1.545 0.001 1.00 44.10 O ATOM 102 CB VAL A 7 3.081 0.100 -2.717 1.00 71.31 C ATOM 103 CG1 VAL A 7 3.187 -1.261 -2.009 1.00 35.21 C ATOM 104 CG2 VAL A 7 2.870 -0.078 -4.245 1.00 23.24 C ATOM 0 H VAL A 7 2.887 2.620 -2.942 1.00 33.12 H new ATOM 0 HA VAL A 7 0.991 0.515 -2.376 1.00 10.11 H new ATOM 0 HB VAL A 7 4.023 0.629 -2.574 1.00 71.31 H new ATOM 0 HG11 VAL A 7 3.987 -1.846 -2.463 1.00 35.21 H new ATOM 0 HG12 VAL A 7 3.406 -1.106 -0.953 1.00 35.21 H new ATOM 0 HG13 VAL A 7 2.243 -1.797 -2.109 1.00 35.21 H new ATOM 0 HG21 VAL A 7 3.678 -0.683 -4.656 1.00 23.24 H new ATOM 0 HG22 VAL A 7 1.917 -0.575 -4.425 1.00 23.24 H new ATOM 0 HG23 VAL A 7 2.867 0.899 -4.728 1.00 23.24 H new ATOM 114 N ILE A 8 1.088 0.345 0.122 1.00 61.13 N ATOM 115 CA ILE A 8 1.088 0.212 1.583 1.00 61.52 C ATOM 116 C ILE A 8 1.191 -1.269 1.948 1.00 50.44 C ATOM 117 O ILE A 8 0.440 -2.103 1.458 1.00 3.21 O ATOM 118 CB ILE A 8 -0.178 0.864 2.248 1.00 13.42 C ATOM 119 CG1 ILE A 8 -0.233 2.386 1.902 1.00 1.32 C ATOM 120 CG2 ILE A 8 -0.197 0.623 3.786 1.00 32.01 C ATOM 121 CD1 ILE A 8 -1.334 3.166 2.578 1.00 22.14 C ATOM 0 H ILE A 8 0.282 -0.087 -0.330 1.00 61.13 H new ATOM 0 HA ILE A 8 1.950 0.753 1.973 1.00 61.52 H new ATOM 0 HB ILE A 8 -1.071 0.387 1.844 1.00 13.42 H new ATOM 0 HG12 ILE A 8 0.723 2.836 2.168 1.00 1.32 H new ATOM 0 HG13 ILE A 8 -0.346 2.492 0.823 1.00 1.32 H new ATOM 0 HG21 ILE A 8 -1.085 1.086 4.216 1.00 32.01 H new ATOM 0 HG22 ILE A 8 -0.214 -0.448 3.986 1.00 32.01 H new ATOM 0 HG23 ILE A 8 0.694 1.062 4.234 1.00 32.01 H new ATOM 0 HD11 ILE A 8 -1.282 4.210 2.270 1.00 22.14 H new ATOM 0 HD12 ILE A 8 -2.301 2.751 2.294 1.00 22.14 H new ATOM 0 HD13 ILE A 8 -1.215 3.101 3.660 1.00 22.14 H new ATOM 133 N ILE A 9 2.108 -1.551 2.851 1.00 4.22 N ATOM 134 CA ILE A 9 2.469 -2.882 3.285 1.00 72.24 C ATOM 135 C ILE A 9 1.662 -3.140 4.571 1.00 62.22 C ATOM 136 O ILE A 9 2.056 -2.715 5.667 1.00 12.31 O ATOM 137 CB ILE A 9 4.032 -3.005 3.513 1.00 74.23 C ATOM 138 CG1 ILE A 9 4.847 -2.822 2.175 1.00 2.25 C ATOM 139 CG2 ILE A 9 4.396 -4.342 4.190 1.00 44.23 C ATOM 140 CD1 ILE A 9 4.905 -1.408 1.596 1.00 74.21 C ATOM 0 H ILE A 9 2.646 -0.824 3.323 1.00 4.22 H new ATOM 0 HA ILE A 9 2.233 -3.633 2.531 1.00 72.24 H new ATOM 0 HB ILE A 9 4.314 -2.192 4.181 1.00 74.23 H new ATOM 0 HG12 ILE A 9 5.868 -3.161 2.349 1.00 2.25 H new ATOM 0 HG13 ILE A 9 4.417 -3.481 1.421 1.00 2.25 H new ATOM 0 HG21 ILE A 9 5.475 -4.396 4.333 1.00 44.23 H new ATOM 0 HG22 ILE A 9 3.899 -4.407 5.158 1.00 44.23 H new ATOM 0 HG23 ILE A 9 4.072 -5.169 3.559 1.00 44.23 H new ATOM 0 HD11 ILE A 9 5.493 -1.414 0.678 1.00 74.21 H new ATOM 0 HD12 ILE A 9 3.895 -1.063 1.377 1.00 74.21 H new ATOM 0 HD13 ILE A 9 5.369 -0.737 2.319 1.00 74.21 H new ATOM 152 N SER A 10 0.481 -3.749 4.399 1.00 23.14 N ATOM 153 CA SER A 10 -0.507 -3.902 5.472 1.00 62.31 C ATOM 154 C SER A 10 -0.442 -5.321 6.060 1.00 35.13 C ATOM 155 O SER A 10 -0.544 -6.324 5.338 1.00 11.51 O ATOM 156 CB SER A 10 -1.928 -3.579 4.942 1.00 2.10 C ATOM 157 OG SER A 10 -2.918 -3.693 5.958 1.00 42.52 O ATOM 0 H SER A 10 0.185 -4.150 3.509 1.00 23.14 H new ATOM 0 HA SER A 10 -0.275 -3.197 6.270 1.00 62.31 H new ATOM 0 HB2 SER A 10 -1.941 -2.568 4.535 1.00 2.10 H new ATOM 0 HB3 SER A 10 -2.171 -4.255 4.122 1.00 2.10 H new ATOM 0 HG SER A 10 -3.798 -3.480 5.583 1.00 42.52 H new ATOM 163 N SER A 11 -0.217 -5.370 7.372 1.00 52.14 N ATOM 164 CA SER A 11 -0.283 -6.590 8.176 1.00 35.32 C ATOM 165 C SER A 11 -0.986 -6.238 9.494 1.00 61.34 C ATOM 166 O SER A 11 -0.518 -5.357 10.229 1.00 70.52 O ATOM 167 CB SER A 11 1.133 -7.164 8.427 1.00 60.15 C ATOM 168 OG SER A 11 1.091 -8.370 9.192 1.00 41.25 O ATOM 0 H SER A 11 0.022 -4.543 7.919 1.00 52.14 H new ATOM 0 HA SER A 11 -0.843 -7.363 7.650 1.00 35.32 H new ATOM 0 HB2 SER A 11 1.621 -7.357 7.472 1.00 60.15 H new ATOM 0 HB3 SER A 11 1.738 -6.423 8.950 1.00 60.15 H new ATOM 0 HG SER A 11 0.232 -8.820 9.047 1.00 41.25 H new ATOM 174 N ASP A 12 -2.128 -6.900 9.745 1.00 22.53 N ATOM 175 CA ASP A 12 -2.945 -6.753 10.967 1.00 53.21 C ATOM 176 C ASP A 12 -3.730 -5.418 11.032 1.00 34.43 C ATOM 177 O ASP A 12 -4.922 -5.394 10.716 1.00 72.50 O ATOM 178 CB ASP A 12 -2.122 -6.975 12.276 1.00 70.11 C ATOM 179 CG ASP A 12 -1.511 -8.382 12.368 1.00 23.31 C ATOM 180 OD1 ASP A 12 -2.259 -9.346 12.638 1.00 43.11 O ATOM 181 OD2 ASP A 12 -0.293 -8.542 12.177 1.00 23.32 O ATOM 0 H ASP A 12 -2.522 -7.572 9.086 1.00 22.53 H new ATOM 0 HA ASP A 12 -3.684 -7.551 10.899 1.00 53.21 H new ATOM 0 HB2 ASP A 12 -1.324 -6.234 12.327 1.00 70.11 H new ATOM 0 HB3 ASP A 12 -2.768 -6.808 13.138 1.00 70.11 H new ATOM 186 N ASP A 13 -3.050 -4.312 11.421 1.00 70.12 N ATOM 187 CA ASP A 13 -3.712 -3.032 11.808 1.00 32.23 C ATOM 188 C ASP A 13 -4.490 -2.367 10.663 1.00 75.53 C ATOM 189 O ASP A 13 -4.017 -2.296 9.525 1.00 55.44 O ATOM 190 CB ASP A 13 -2.682 -2.038 12.406 1.00 62.24 C ATOM 191 CG ASP A 13 -2.239 -2.458 13.809 1.00 14.11 C ATOM 192 OD1 ASP A 13 -1.422 -3.393 13.925 1.00 45.23 O ATOM 193 OD2 ASP A 13 -2.741 -1.889 14.804 1.00 65.51 O ATOM 0 H ASP A 13 -2.032 -4.277 11.477 1.00 70.12 H new ATOM 0 HA ASP A 13 -4.448 -3.297 12.567 1.00 32.23 H new ATOM 0 HB2 ASP A 13 -1.812 -1.978 11.752 1.00 62.24 H new ATOM 0 HB3 ASP A 13 -3.120 -1.041 12.446 1.00 62.24 H new ATOM 198 N THR A 14 -5.676 -1.850 11.028 1.00 23.24 N ATOM 199 CA THR A 14 -6.643 -1.255 10.100 1.00 35.22 C ATOM 200 C THR A 14 -6.402 0.260 9.906 1.00 51.21 C ATOM 201 O THR A 14 -6.935 0.864 8.973 1.00 12.12 O ATOM 202 CB THR A 14 -8.093 -1.539 10.617 1.00 75.24 C ATOM 203 OG1 THR A 14 -8.215 -2.946 10.906 1.00 42.41 O ATOM 204 CG2 THR A 14 -9.192 -1.134 9.611 1.00 42.24 C ATOM 0 H THR A 14 -5.992 -1.836 11.998 1.00 23.24 H new ATOM 0 HA THR A 14 -6.513 -1.714 9.120 1.00 35.22 H new ATOM 0 HB THR A 14 -8.241 -0.931 11.509 1.00 75.24 H new ATOM 0 HG1 THR A 14 -9.119 -3.136 11.233 1.00 42.41 H new ATOM 0 HG21 THR A 14 -10.172 -1.358 10.033 1.00 42.24 H new ATOM 0 HG22 THR A 14 -9.121 -0.066 9.405 1.00 42.24 H new ATOM 0 HG23 THR A 14 -9.060 -1.692 8.684 1.00 42.24 H new ATOM 212 N THR A 15 -5.597 0.882 10.793 1.00 2.32 N ATOM 213 CA THR A 15 -5.228 2.306 10.663 1.00 40.01 C ATOM 214 C THR A 15 -4.465 2.581 9.347 1.00 13.34 C ATOM 215 O THR A 15 -4.604 3.649 8.770 1.00 72.24 O ATOM 216 CB THR A 15 -4.391 2.784 11.889 1.00 54.25 C ATOM 217 OG1 THR A 15 -5.044 2.368 13.102 1.00 4.12 O ATOM 218 CG2 THR A 15 -4.227 4.317 11.907 1.00 62.35 C ATOM 0 H THR A 15 -5.191 0.420 11.606 1.00 2.32 H new ATOM 0 HA THR A 15 -6.156 2.877 10.636 1.00 40.01 H new ATOM 0 HB THR A 15 -3.400 2.337 11.812 1.00 54.25 H new ATOM 0 HG1 THR A 15 -4.519 2.665 13.874 1.00 4.12 H new ATOM 0 HG21 THR A 15 -3.638 4.610 12.776 1.00 62.35 H new ATOM 0 HG22 THR A 15 -3.718 4.639 10.999 1.00 62.35 H new ATOM 0 HG23 THR A 15 -5.209 4.787 11.959 1.00 62.35 H new ATOM 226 N LEU A 16 -3.724 1.573 8.847 1.00 64.43 N ATOM 227 CA LEU A 16 -2.989 1.684 7.562 1.00 70.11 C ATOM 228 C LEU A 16 -3.989 1.711 6.388 1.00 1.53 C ATOM 229 O LEU A 16 -3.730 2.334 5.363 1.00 5.12 O ATOM 230 CB LEU A 16 -1.960 0.531 7.363 1.00 10.43 C ATOM 231 CG LEU A 16 -0.727 0.531 8.330 1.00 1.05 C ATOM 232 CD1 LEU A 16 -1.131 0.193 9.775 1.00 74.33 C ATOM 233 CD2 LEU A 16 0.393 -0.402 7.817 1.00 2.12 C ATOM 0 H LEU A 16 -3.616 0.671 9.310 1.00 64.43 H new ATOM 0 HA LEU A 16 -2.424 2.616 7.589 1.00 70.11 H new ATOM 0 HB2 LEU A 16 -2.483 -0.419 7.475 1.00 10.43 H new ATOM 0 HB3 LEU A 16 -1.592 0.573 6.338 1.00 10.43 H new ATOM 0 HG LEU A 16 -0.327 1.545 8.342 1.00 1.05 H new ATOM 0 HD11 LEU A 16 -0.247 0.204 10.412 1.00 74.33 H new ATOM 0 HD12 LEU A 16 -1.847 0.932 10.135 1.00 74.33 H new ATOM 0 HD13 LEU A 16 -1.586 -0.797 9.803 1.00 74.33 H new ATOM 0 HD21 LEU A 16 1.233 -0.378 8.511 1.00 2.12 H new ATOM 0 HD22 LEU A 16 0.012 -1.421 7.743 1.00 2.12 H new ATOM 0 HD23 LEU A 16 0.725 -0.066 6.835 1.00 2.12 H new ATOM 245 N GLU A 17 -5.142 1.040 6.594 1.00 2.04 N ATOM 246 CA GLU A 17 -6.245 0.949 5.616 1.00 54.23 C ATOM 247 C GLU A 17 -7.036 2.270 5.601 1.00 51.54 C ATOM 248 O GLU A 17 -7.464 2.740 4.537 1.00 3.35 O ATOM 249 CB GLU A 17 -7.178 -0.232 5.997 1.00 12.44 C ATOM 250 CG GLU A 17 -6.445 -1.571 6.241 1.00 55.25 C ATOM 251 CD GLU A 17 -7.379 -2.712 6.690 1.00 72.32 C ATOM 252 OE1 GLU A 17 -8.508 -2.829 6.151 1.00 24.21 O ATOM 253 OE2 GLU A 17 -6.991 -3.514 7.576 1.00 4.05 O ATOM 0 H GLU A 17 -5.335 0.538 7.460 1.00 2.04 H new ATOM 0 HA GLU A 17 -5.837 0.773 4.621 1.00 54.23 H new ATOM 0 HB2 GLU A 17 -7.732 0.034 6.897 1.00 12.44 H new ATOM 0 HB3 GLU A 17 -7.910 -0.372 5.202 1.00 12.44 H new ATOM 0 HG2 GLU A 17 -5.935 -1.869 5.325 1.00 55.25 H new ATOM 0 HG3 GLU A 17 -5.676 -1.422 6.999 1.00 55.25 H new ATOM 260 N GLU A 18 -7.191 2.871 6.807 1.00 1.22 N ATOM 261 CA GLU A 18 -7.853 4.175 6.987 1.00 64.54 C ATOM 262 C GLU A 18 -7.057 5.253 6.253 1.00 54.53 C ATOM 263 O GLU A 18 -7.570 5.894 5.339 1.00 2.22 O ATOM 264 CB GLU A 18 -7.975 4.526 8.504 1.00 3.42 C ATOM 265 CG GLU A 18 -9.083 3.763 9.255 1.00 20.14 C ATOM 266 CD GLU A 18 -10.498 4.132 8.760 1.00 21.30 C ATOM 267 OE1 GLU A 18 -10.987 5.236 9.090 1.00 21.34 O ATOM 268 OE2 GLU A 18 -11.127 3.332 8.036 1.00 41.10 O ATOM 0 H GLU A 18 -6.858 2.460 7.679 1.00 1.22 H new ATOM 0 HA GLU A 18 -8.859 4.124 6.571 1.00 64.54 H new ATOM 0 HB2 GLU A 18 -7.020 4.322 8.988 1.00 3.42 H new ATOM 0 HB3 GLU A 18 -8.159 5.596 8.602 1.00 3.42 H new ATOM 0 HG2 GLU A 18 -8.928 2.691 9.133 1.00 20.14 H new ATOM 0 HG3 GLU A 18 -9.008 3.977 10.321 1.00 20.14 H new ATOM 275 N LEU A 19 -5.775 5.378 6.651 1.00 63.24 N ATOM 276 CA LEU A 19 -4.822 6.336 6.072 1.00 41.42 C ATOM 277 C LEU A 19 -4.746 6.175 4.543 1.00 40.50 C ATOM 278 O LEU A 19 -4.751 7.164 3.837 1.00 4.24 O ATOM 279 CB LEU A 19 -3.423 6.155 6.728 1.00 12.22 C ATOM 280 CG LEU A 19 -3.343 6.421 8.270 1.00 31.30 C ATOM 281 CD1 LEU A 19 -1.993 5.962 8.840 1.00 61.13 C ATOM 282 CD2 LEU A 19 -3.611 7.894 8.612 1.00 55.42 C ATOM 0 H LEU A 19 -5.371 4.807 7.394 1.00 63.24 H new ATOM 0 HA LEU A 19 -5.170 7.348 6.278 1.00 41.42 H new ATOM 0 HB2 LEU A 19 -3.085 5.136 6.538 1.00 12.22 H new ATOM 0 HB3 LEU A 19 -2.721 6.823 6.228 1.00 12.22 H new ATOM 0 HG LEU A 19 -4.130 5.831 8.740 1.00 31.30 H new ATOM 0 HD11 LEU A 19 -1.965 6.159 9.912 1.00 61.13 H new ATOM 0 HD12 LEU A 19 -1.868 4.894 8.664 1.00 61.13 H new ATOM 0 HD13 LEU A 19 -1.187 6.508 8.350 1.00 61.13 H new ATOM 0 HD21 LEU A 19 -3.546 8.035 9.691 1.00 55.42 H new ATOM 0 HD22 LEU A 19 -2.870 8.523 8.119 1.00 55.42 H new ATOM 0 HD23 LEU A 19 -4.608 8.171 8.269 1.00 55.42 H new ATOM 294 N ALA A 20 -4.765 4.907 4.070 1.00 42.04 N ATOM 295 CA ALA A 20 -4.761 4.551 2.629 1.00 53.10 C ATOM 296 C ALA A 20 -5.907 5.240 1.859 1.00 4.12 C ATOM 297 O ALA A 20 -5.694 5.866 0.813 1.00 45.53 O ATOM 298 CB ALA A 20 -4.877 3.024 2.472 1.00 40.21 C ATOM 0 H ALA A 20 -4.784 4.093 4.684 1.00 42.04 H new ATOM 0 HA ALA A 20 -3.820 4.901 2.205 1.00 53.10 H new ATOM 0 HB1 ALA A 20 -4.874 2.766 1.413 1.00 40.21 H new ATOM 0 HB2 ALA A 20 -4.033 2.542 2.965 1.00 40.21 H new ATOM 0 HB3 ALA A 20 -5.807 2.681 2.926 1.00 40.21 H new ATOM 304 N ARG A 21 -7.117 5.128 2.429 1.00 22.21 N ATOM 305 CA ARG A 21 -8.354 5.677 1.848 1.00 12.34 C ATOM 306 C ARG A 21 -8.345 7.228 1.876 1.00 50.11 C ATOM 307 O ARG A 21 -8.991 7.872 1.045 1.00 4.04 O ATOM 308 CB ARG A 21 -9.568 5.071 2.606 1.00 11.00 C ATOM 309 CG ARG A 21 -10.963 5.482 2.088 1.00 74.40 C ATOM 310 CD ARG A 21 -12.095 4.696 2.778 1.00 50.10 C ATOM 311 NE ARG A 21 -11.983 4.726 4.246 1.00 11.45 N ATOM 312 CZ ARG A 21 -12.635 5.563 5.059 1.00 61.00 C ATOM 313 NH1 ARG A 21 -13.477 6.478 4.570 1.00 63.42 N ATOM 314 NH2 ARG A 21 -12.454 5.471 6.367 1.00 2.54 N ATOM 0 H ARG A 21 -7.266 4.648 3.317 1.00 22.21 H new ATOM 0 HA ARG A 21 -8.429 5.400 0.796 1.00 12.34 H new ATOM 0 HB2 ARG A 21 -9.492 3.984 2.563 1.00 11.00 H new ATOM 0 HB3 ARG A 21 -9.494 5.355 3.656 1.00 11.00 H new ATOM 0 HG2 ARG A 21 -11.110 6.549 2.254 1.00 74.40 H new ATOM 0 HG3 ARG A 21 -11.012 5.317 1.012 1.00 74.40 H new ATOM 0 HD2 ARG A 21 -13.057 5.113 2.481 1.00 50.10 H new ATOM 0 HD3 ARG A 21 -12.077 3.661 2.436 1.00 50.10 H new ATOM 0 HE ARG A 21 -11.354 4.050 4.680 1.00 11.45 H new ATOM 0 HH11 ARG A 21 -13.629 6.545 3.564 1.00 63.42 H new ATOM 0 HH12 ARG A 21 -13.967 7.110 5.203 1.00 63.42 H new ATOM 0 HH21 ARG A 21 -11.822 4.766 6.746 1.00 2.54 H new ATOM 0 HH22 ARG A 21 -12.947 6.105 6.996 1.00 2.54 H new ATOM 328 N LYS A 22 -7.586 7.817 2.820 1.00 62.33 N ATOM 329 CA LYS A 22 -7.434 9.286 2.943 1.00 11.12 C ATOM 330 C LYS A 22 -6.338 9.833 1.986 1.00 34.33 C ATOM 331 O LYS A 22 -6.488 10.938 1.458 1.00 40.23 O ATOM 332 CB LYS A 22 -7.139 9.687 4.429 1.00 44.51 C ATOM 333 CG LYS A 22 -8.387 9.818 5.351 1.00 64.12 C ATOM 334 CD LYS A 22 -9.208 8.517 5.489 1.00 40.00 C ATOM 335 CE LYS A 22 -10.372 8.641 6.489 1.00 14.30 C ATOM 336 NZ LYS A 22 -9.910 8.980 7.870 1.00 3.34 N ATOM 0 H LYS A 22 -7.061 7.292 3.519 1.00 62.33 H new ATOM 0 HA LYS A 22 -8.377 9.744 2.645 1.00 11.12 H new ATOM 0 HB2 LYS A 22 -6.467 8.945 4.860 1.00 44.51 H new ATOM 0 HB3 LYS A 22 -6.607 10.638 4.431 1.00 44.51 H new ATOM 0 HG2 LYS A 22 -8.062 10.137 6.341 1.00 64.12 H new ATOM 0 HG3 LYS A 22 -9.034 10.603 4.960 1.00 64.12 H new ATOM 0 HD2 LYS A 22 -9.604 8.239 4.512 1.00 40.00 H new ATOM 0 HD3 LYS A 22 -8.548 7.710 5.807 1.00 40.00 H new ATOM 0 HE2 LYS A 22 -11.064 9.409 6.142 1.00 14.30 H new ATOM 0 HE3 LYS A 22 -10.925 7.702 6.515 1.00 14.30 H new ATOM 0 HZ1 LYS A 22 -10.700 8.869 8.537 1.00 3.34 H new ATOM 0 HZ2 LYS A 22 -9.135 8.343 8.143 1.00 3.34 H new ATOM 0 HZ3 LYS A 22 -9.574 9.964 7.892 1.00 3.34 H new ATOM 350 N ILE A 23 -5.244 9.057 1.779 1.00 30.42 N ATOM 351 CA ILE A 23 -4.123 9.435 0.867 1.00 23.04 C ATOM 352 C ILE A 23 -4.643 9.695 -0.547 1.00 42.44 C ATOM 353 O ILE A 23 -4.419 10.772 -1.102 1.00 62.51 O ATOM 354 CB ILE A 23 -3.001 8.316 0.820 1.00 73.54 C ATOM 355 CG1 ILE A 23 -2.332 8.127 2.220 1.00 60.43 C ATOM 356 CG2 ILE A 23 -1.927 8.616 -0.259 1.00 5.54 C ATOM 357 CD1 ILE A 23 -1.548 6.834 2.387 1.00 34.24 C ATOM 0 H ILE A 23 -5.110 8.155 2.235 1.00 30.42 H new ATOM 0 HA ILE A 23 -3.680 10.348 1.265 1.00 23.04 H new ATOM 0 HB ILE A 23 -3.495 7.384 0.545 1.00 73.54 H new ATOM 0 HG12 ILE A 23 -1.662 8.967 2.402 1.00 60.43 H new ATOM 0 HG13 ILE A 23 -3.107 8.166 2.985 1.00 60.43 H new ATOM 0 HG21 ILE A 23 -1.178 7.824 -0.257 1.00 5.54 H new ATOM 0 HG22 ILE A 23 -2.400 8.665 -1.240 1.00 5.54 H new ATOM 0 HG23 ILE A 23 -1.447 9.570 -0.040 1.00 5.54 H new ATOM 0 HD11 ILE A 23 -1.122 6.794 3.389 1.00 34.24 H new ATOM 0 HD12 ILE A 23 -2.214 5.983 2.241 1.00 34.24 H new ATOM 0 HD13 ILE A 23 -0.746 6.797 1.650 1.00 34.24 H new ATOM 369 N LYS A 24 -5.400 8.714 -1.076 1.00 75.04 N ATOM 370 CA LYS A 24 -5.891 8.731 -2.464 1.00 13.35 C ATOM 371 C LYS A 24 -6.793 9.948 -2.768 1.00 53.32 C ATOM 372 O LYS A 24 -6.914 10.344 -3.934 1.00 73.03 O ATOM 373 CB LYS A 24 -6.628 7.416 -2.800 1.00 52.33 C ATOM 374 CG LYS A 24 -7.864 7.105 -1.927 1.00 33.31 C ATOM 375 CD LYS A 24 -8.731 5.975 -2.530 1.00 40.11 C ATOM 376 CE LYS A 24 -7.943 4.682 -2.797 1.00 22.23 C ATOM 377 NZ LYS A 24 -8.743 3.707 -3.583 1.00 53.41 N ATOM 0 H LYS A 24 -5.687 7.888 -0.551 1.00 75.04 H new ATOM 0 HA LYS A 24 -5.012 8.822 -3.102 1.00 13.35 H new ATOM 0 HB2 LYS A 24 -6.941 7.452 -3.843 1.00 52.33 H new ATOM 0 HB3 LYS A 24 -5.922 6.590 -2.707 1.00 52.33 H new ATOM 0 HG2 LYS A 24 -7.538 6.818 -0.927 1.00 33.31 H new ATOM 0 HG3 LYS A 24 -8.467 8.006 -1.819 1.00 33.31 H new ATOM 0 HD2 LYS A 24 -9.555 5.757 -1.851 1.00 40.11 H new ATOM 0 HD3 LYS A 24 -9.172 6.323 -3.464 1.00 40.11 H new ATOM 0 HE2 LYS A 24 -7.025 4.919 -3.336 1.00 22.23 H new ATOM 0 HE3 LYS A 24 -7.649 4.232 -1.849 1.00 22.23 H new ATOM 0 HZ1 LYS A 24 -8.607 2.752 -3.194 1.00 53.41 H new ATOM 0 HZ2 LYS A 24 -9.750 3.962 -3.531 1.00 53.41 H new ATOM 0 HZ3 LYS A 24 -8.433 3.724 -4.576 1.00 53.41 H new ATOM 391 N ASP A 25 -7.390 10.544 -1.712 1.00 71.10 N ATOM 392 CA ASP A 25 -8.288 11.716 -1.839 1.00 43.03 C ATOM 393 C ASP A 25 -7.556 12.938 -2.452 1.00 53.14 C ATOM 394 O ASP A 25 -8.188 13.792 -3.081 1.00 53.41 O ATOM 395 CB ASP A 25 -8.913 12.081 -0.465 1.00 24.41 C ATOM 396 CG ASP A 25 -10.066 13.103 -0.585 1.00 0.30 C ATOM 397 OD1 ASP A 25 -11.215 12.677 -0.827 1.00 21.01 O ATOM 398 OD2 ASP A 25 -9.836 14.326 -0.438 1.00 40.51 O ATOM 0 H ASP A 25 -7.264 10.228 -0.750 1.00 71.10 H new ATOM 0 HA ASP A 25 -9.091 11.440 -2.523 1.00 43.03 H new ATOM 0 HB2 ASP A 25 -9.285 11.174 0.012 1.00 24.41 H new ATOM 0 HB3 ASP A 25 -8.138 12.488 0.185 1.00 24.41 H new ATOM 403 N GLU A 26 -6.211 12.976 -2.318 1.00 22.21 N ATOM 404 CA GLU A 26 -5.364 14.040 -2.904 1.00 55.42 C ATOM 405 C GLU A 26 -5.291 13.957 -4.455 1.00 63.03 C ATOM 406 O GLU A 26 -4.634 14.785 -5.086 1.00 34.20 O ATOM 407 CB GLU A 26 -3.932 13.983 -2.292 1.00 64.23 C ATOM 408 CG GLU A 26 -3.859 14.123 -0.752 1.00 23.40 C ATOM 409 CD GLU A 26 -4.468 15.434 -0.217 1.00 24.31 C ATOM 410 OE1 GLU A 26 -3.738 16.437 -0.098 1.00 14.22 O ATOM 411 OE2 GLU A 26 -5.683 15.471 0.078 1.00 72.21 O ATOM 0 H GLU A 26 -5.683 12.272 -1.802 1.00 22.21 H new ATOM 0 HA GLU A 26 -5.829 14.994 -2.657 1.00 55.42 H new ATOM 0 HB2 GLU A 26 -3.472 13.036 -2.575 1.00 64.23 H new ATOM 0 HB3 GLU A 26 -3.332 14.775 -2.740 1.00 64.23 H new ATOM 0 HG2 GLU A 26 -4.377 13.280 -0.295 1.00 23.40 H new ATOM 0 HG3 GLU A 26 -2.816 14.064 -0.440 1.00 23.40 H new ATOM 418 N GLY A 27 -5.952 12.950 -5.054 1.00 43.22 N ATOM 419 CA GLY A 27 -6.069 12.827 -6.512 1.00 23.31 C ATOM 420 C GLY A 27 -5.125 11.785 -7.094 1.00 11.15 C ATOM 421 O GLY A 27 -4.722 11.885 -8.258 1.00 33.12 O ATOM 0 H GLY A 27 -6.418 12.202 -4.540 1.00 43.22 H new ATOM 0 HA2 GLY A 27 -7.095 12.564 -6.769 1.00 23.31 H new ATOM 0 HA3 GLY A 27 -5.863 13.794 -6.971 1.00 23.31 H new ATOM 425 N LEU A 28 -4.750 10.792 -6.273 1.00 75.02 N ATOM 426 CA LEU A 28 -3.870 9.673 -6.691 1.00 72.21 C ATOM 427 C LEU A 28 -4.504 8.324 -6.326 1.00 65.04 C ATOM 428 O LEU A 28 -5.590 8.284 -5.744 1.00 11.14 O ATOM 429 CB LEU A 28 -2.431 9.806 -6.108 1.00 73.44 C ATOM 430 CG LEU A 28 -2.238 9.648 -4.563 1.00 70.35 C ATOM 431 CD1 LEU A 28 -0.740 9.559 -4.206 1.00 44.23 C ATOM 432 CD2 LEU A 28 -2.898 10.797 -3.795 1.00 13.42 C ATOM 0 H LEU A 28 -5.045 10.736 -5.298 1.00 75.02 H new ATOM 0 HA LEU A 28 -3.770 9.721 -7.775 1.00 72.21 H new ATOM 0 HB2 LEU A 28 -1.803 9.062 -6.599 1.00 73.44 H new ATOM 0 HB3 LEU A 28 -2.046 10.785 -6.392 1.00 73.44 H new ATOM 0 HG LEU A 28 -2.726 8.720 -4.265 1.00 70.35 H new ATOM 0 HD11 LEU A 28 -0.629 9.450 -3.127 1.00 44.23 H new ATOM 0 HD12 LEU A 28 -0.297 8.697 -4.706 1.00 44.23 H new ATOM 0 HD13 LEU A 28 -0.234 10.467 -4.533 1.00 44.23 H new ATOM 0 HD21 LEU A 28 -2.744 10.655 -2.725 1.00 13.42 H new ATOM 0 HD22 LEU A 28 -2.453 11.743 -4.103 1.00 13.42 H new ATOM 0 HD23 LEU A 28 -3.967 10.811 -4.009 1.00 13.42 H new ATOM 444 N GLU A 29 -3.848 7.217 -6.710 1.00 4.21 N ATOM 445 CA GLU A 29 -4.324 5.858 -6.392 1.00 4.40 C ATOM 446 C GLU A 29 -3.437 5.229 -5.304 1.00 54.44 C ATOM 447 O GLU A 29 -2.268 5.590 -5.161 1.00 32.32 O ATOM 448 CB GLU A 29 -4.331 4.986 -7.680 1.00 62.11 C ATOM 449 CG GLU A 29 -4.990 3.597 -7.526 1.00 3.50 C ATOM 450 CD GLU A 29 -6.442 3.676 -7.012 1.00 5.20 C ATOM 451 OE1 GLU A 29 -7.354 3.980 -7.812 1.00 71.44 O ATOM 452 OE2 GLU A 29 -6.684 3.462 -5.799 1.00 40.20 O ATOM 0 H GLU A 29 -2.980 7.236 -7.245 1.00 4.21 H new ATOM 0 HA GLU A 29 -5.343 5.913 -6.009 1.00 4.40 H new ATOM 0 HB2 GLU A 29 -4.850 5.532 -8.467 1.00 62.11 H new ATOM 0 HB3 GLU A 29 -3.302 4.848 -8.013 1.00 62.11 H new ATOM 0 HG2 GLU A 29 -4.978 3.086 -8.489 1.00 3.50 H new ATOM 0 HG3 GLU A 29 -4.398 2.994 -6.837 1.00 3.50 H new ATOM 459 N VAL A 30 -4.018 4.300 -4.530 1.00 64.42 N ATOM 460 CA VAL A 30 -3.302 3.530 -3.505 1.00 1.22 C ATOM 461 C VAL A 30 -3.377 2.024 -3.841 1.00 51.40 C ATOM 462 O VAL A 30 -4.460 1.468 -4.070 1.00 45.21 O ATOM 463 CB VAL A 30 -3.869 3.804 -2.059 1.00 53.54 C ATOM 464 CG1 VAL A 30 -3.194 2.904 -0.993 1.00 32.20 C ATOM 465 CG2 VAL A 30 -3.700 5.293 -1.695 1.00 1.42 C ATOM 0 H VAL A 30 -5.007 4.061 -4.600 1.00 64.42 H new ATOM 0 HA VAL A 30 -2.261 3.852 -3.507 1.00 1.22 H new ATOM 0 HB VAL A 30 -4.930 3.556 -2.067 1.00 53.54 H new ATOM 0 HG11 VAL A 30 -3.614 3.125 -0.012 1.00 32.20 H new ATOM 0 HG12 VAL A 30 -3.372 1.856 -1.236 1.00 32.20 H new ATOM 0 HG13 VAL A 30 -2.121 3.097 -0.981 1.00 32.20 H new ATOM 0 HG21 VAL A 30 -4.095 5.470 -0.695 1.00 1.42 H new ATOM 0 HG22 VAL A 30 -2.642 5.556 -1.719 1.00 1.42 H new ATOM 0 HG23 VAL A 30 -4.243 5.907 -2.413 1.00 1.42 H new ATOM 475 N TYR A 31 -2.195 1.401 -3.869 1.00 75.32 N ATOM 476 CA TYR A 31 -2.012 -0.050 -4.005 1.00 33.12 C ATOM 477 C TYR A 31 -1.661 -0.600 -2.615 1.00 31.11 C ATOM 478 O TYR A 31 -1.148 0.136 -1.767 1.00 51.42 O ATOM 479 CB TYR A 31 -0.852 -0.381 -5.000 1.00 35.12 C ATOM 480 CG TYR A 31 -1.124 -0.136 -6.502 1.00 53.05 C ATOM 481 CD1 TYR A 31 -1.819 0.989 -6.965 1.00 53.45 C ATOM 482 CD2 TYR A 31 -0.649 -1.038 -7.470 1.00 21.35 C ATOM 483 CE1 TYR A 31 -2.050 1.189 -8.317 1.00 41.42 C ATOM 484 CE2 TYR A 31 -0.878 -0.836 -8.821 1.00 50.10 C ATOM 485 CZ TYR A 31 -1.568 0.283 -9.238 1.00 64.41 C ATOM 486 OH TYR A 31 -1.794 0.492 -10.587 1.00 73.01 O ATOM 0 H TYR A 31 -1.312 1.906 -3.796 1.00 75.32 H new ATOM 0 HA TYR A 31 -2.924 -0.501 -4.395 1.00 33.12 H new ATOM 0 HB2 TYR A 31 0.019 0.208 -4.713 1.00 35.12 H new ATOM 0 HB3 TYR A 31 -0.584 -1.430 -4.871 1.00 35.12 H new ATOM 0 HD1 TYR A 31 -2.182 1.716 -6.253 1.00 53.45 H new ATOM 0 HD2 TYR A 31 -0.093 -1.908 -7.153 1.00 21.35 H new ATOM 0 HE1 TYR A 31 -2.607 2.053 -8.649 1.00 41.42 H new ATOM 0 HE2 TYR A 31 -0.518 -1.552 -9.545 1.00 50.10 H new ATOM 0 HH TYR A 31 -1.851 1.454 -10.764 1.00 73.01 H new ATOM 496 N ILE A 32 -1.947 -1.874 -2.371 1.00 32.31 N ATOM 497 CA ILE A 32 -1.587 -2.532 -1.105 1.00 22.55 C ATOM 498 C ILE A 32 -0.760 -3.787 -1.423 1.00 4.23 C ATOM 499 O ILE A 32 -1.095 -4.531 -2.340 1.00 52.44 O ATOM 500 CB ILE A 32 -2.863 -2.942 -0.263 1.00 60.04 C ATOM 501 CG1 ILE A 32 -3.846 -1.744 -0.026 1.00 62.11 C ATOM 502 CG2 ILE A 32 -2.449 -3.573 1.089 1.00 2.31 C ATOM 503 CD1 ILE A 32 -3.312 -0.613 0.834 1.00 2.03 C ATOM 0 H ILE A 32 -2.430 -2.481 -3.033 1.00 32.31 H new ATOM 0 HA ILE A 32 -1.012 -1.827 -0.505 1.00 22.55 H new ATOM 0 HB ILE A 32 -3.400 -3.683 -0.855 1.00 60.04 H new ATOM 0 HG12 ILE A 32 -4.131 -1.335 -0.995 1.00 62.11 H new ATOM 0 HG13 ILE A 32 -4.754 -2.130 0.437 1.00 62.11 H new ATOM 0 HG21 ILE A 32 -3.342 -3.847 1.651 1.00 2.31 H new ATOM 0 HG22 ILE A 32 -1.848 -4.464 0.906 1.00 2.31 H new ATOM 0 HG23 ILE A 32 -1.866 -2.853 1.663 1.00 2.31 H new ATOM 0 HD11 ILE A 32 -4.074 0.161 0.932 1.00 2.03 H new ATOM 0 HD12 ILE A 32 -3.056 -0.997 1.822 1.00 2.03 H new ATOM 0 HD13 ILE A 32 -2.423 -0.190 0.367 1.00 2.03 H new ATOM 515 N LEU A 33 0.342 -3.988 -0.696 1.00 13.42 N ATOM 516 CA LEU A 33 1.048 -5.275 -0.654 1.00 2.32 C ATOM 517 C LEU A 33 0.739 -5.960 0.682 1.00 53.02 C ATOM 518 O LEU A 33 1.120 -5.464 1.747 1.00 43.01 O ATOM 519 CB LEU A 33 2.576 -5.096 -0.867 1.00 22.04 C ATOM 520 CG LEU A 33 3.026 -4.711 -2.311 1.00 43.14 C ATOM 521 CD1 LEU A 33 4.560 -4.730 -2.441 1.00 21.32 C ATOM 522 CD2 LEU A 33 2.355 -5.593 -3.382 1.00 1.44 C ATOM 0 H LEU A 33 0.771 -3.264 -0.119 1.00 13.42 H new ATOM 0 HA LEU A 33 0.699 -5.906 -1.471 1.00 2.32 H new ATOM 0 HB2 LEU A 33 2.931 -4.327 -0.180 1.00 22.04 H new ATOM 0 HB3 LEU A 33 3.073 -6.026 -0.589 1.00 22.04 H new ATOM 0 HG LEU A 33 2.691 -3.689 -2.490 1.00 43.14 H new ATOM 0 HD11 LEU A 33 4.842 -4.458 -3.458 1.00 21.32 H new ATOM 0 HD12 LEU A 33 4.993 -4.016 -1.741 1.00 21.32 H new ATOM 0 HD13 LEU A 33 4.932 -5.730 -2.217 1.00 21.32 H new ATOM 0 HD21 LEU A 33 2.698 -5.289 -4.371 1.00 1.44 H new ATOM 0 HD22 LEU A 33 2.619 -6.637 -3.211 1.00 1.44 H new ATOM 0 HD23 LEU A 33 1.273 -5.478 -3.322 1.00 1.44 H new ATOM 534 N LEU A 34 0.017 -7.085 0.611 1.00 32.44 N ATOM 535 CA LEU A 34 -0.435 -7.817 1.792 1.00 31.31 C ATOM 536 C LEU A 34 0.548 -8.962 2.072 1.00 13.32 C ATOM 537 O LEU A 34 0.793 -9.810 1.207 1.00 40.21 O ATOM 538 CB LEU A 34 -1.903 -8.351 1.591 1.00 1.15 C ATOM 539 CG LEU A 34 -2.862 -8.216 2.826 1.00 40.03 C ATOM 540 CD1 LEU A 34 -2.383 -9.040 4.045 1.00 14.25 C ATOM 541 CD2 LEU A 34 -3.041 -6.729 3.198 1.00 34.41 C ATOM 0 H LEU A 34 -0.269 -7.511 -0.271 1.00 32.44 H new ATOM 0 HA LEU A 34 -0.455 -7.149 2.653 1.00 31.31 H new ATOM 0 HB2 LEU A 34 -2.349 -7.820 0.750 1.00 1.15 H new ATOM 0 HB3 LEU A 34 -1.850 -9.403 1.311 1.00 1.15 H new ATOM 0 HG LEU A 34 -3.828 -8.630 2.536 1.00 40.03 H new ATOM 0 HD11 LEU A 34 -3.083 -8.910 4.870 1.00 14.25 H new ATOM 0 HD12 LEU A 34 -2.333 -10.095 3.774 1.00 14.25 H new ATOM 0 HD13 LEU A 34 -1.395 -8.697 4.350 1.00 14.25 H new ATOM 0 HD21 LEU A 34 -3.708 -6.646 4.056 1.00 34.41 H new ATOM 0 HD22 LEU A 34 -2.072 -6.298 3.449 1.00 34.41 H new ATOM 0 HD23 LEU A 34 -3.469 -6.191 2.352 1.00 34.41 H new ATOM 553 N LYS A 35 1.117 -8.951 3.284 1.00 45.40 N ATOM 554 CA LYS A 35 1.950 -10.035 3.807 1.00 34.02 C ATOM 555 C LYS A 35 1.662 -10.161 5.311 1.00 3.15 C ATOM 556 O LYS A 35 1.901 -9.233 6.086 1.00 3.11 O ATOM 557 CB LYS A 35 3.465 -9.777 3.468 1.00 63.13 C ATOM 558 CG LYS A 35 3.977 -8.304 3.578 1.00 64.44 C ATOM 559 CD LYS A 35 4.464 -7.852 4.984 1.00 50.44 C ATOM 560 CE LYS A 35 5.845 -8.409 5.377 1.00 70.35 C ATOM 561 NZ LYS A 35 5.805 -9.857 5.685 1.00 13.13 N ATOM 0 H LYS A 35 1.008 -8.175 3.937 1.00 45.40 H new ATOM 0 HA LYS A 35 1.711 -10.989 3.336 1.00 34.02 H new ATOM 0 HB2 LYS A 35 4.070 -10.396 4.130 1.00 63.13 H new ATOM 0 HB3 LYS A 35 3.648 -10.124 2.451 1.00 63.13 H new ATOM 0 HG2 LYS A 35 4.797 -8.172 2.872 1.00 64.44 H new ATOM 0 HG3 LYS A 35 3.174 -7.637 3.262 1.00 64.44 H new ATOM 0 HD2 LYS A 35 4.502 -6.763 5.012 1.00 50.44 H new ATOM 0 HD3 LYS A 35 3.732 -8.165 5.729 1.00 50.44 H new ATOM 0 HE2 LYS A 35 6.549 -8.233 4.564 1.00 70.35 H new ATOM 0 HE3 LYS A 35 6.219 -7.866 6.245 1.00 70.35 H new ATOM 0 HZ1 LYS A 35 6.440 -10.060 6.483 1.00 13.13 H new ATOM 0 HZ2 LYS A 35 4.834 -10.132 5.937 1.00 13.13 H new ATOM 0 HZ3 LYS A 35 6.113 -10.398 4.852 1.00 13.13 H new ATOM 575 N ASP A 36 1.115 -11.313 5.708 1.00 21.32 N ATOM 576 CA ASP A 36 0.647 -11.558 7.085 1.00 44.41 C ATOM 577 C ASP A 36 1.141 -12.930 7.562 1.00 40.40 C ATOM 578 O ASP A 36 1.539 -13.770 6.747 1.00 74.14 O ATOM 579 CB ASP A 36 -0.905 -11.459 7.139 1.00 54.43 C ATOM 580 CG ASP A 36 -1.464 -11.526 8.578 1.00 54.44 C ATOM 581 OD1 ASP A 36 -1.273 -10.550 9.344 1.00 61.13 O ATOM 582 OD2 ASP A 36 -2.074 -12.551 8.956 1.00 2.44 O ATOM 0 H ASP A 36 0.981 -12.109 5.084 1.00 21.32 H new ATOM 0 HA ASP A 36 1.055 -10.801 7.755 1.00 44.41 H new ATOM 0 HB2 ASP A 36 -1.220 -10.524 6.676 1.00 54.43 H new ATOM 0 HB3 ASP A 36 -1.336 -12.268 6.550 1.00 54.43 H new ATOM 587 N LYS A 37 1.110 -13.147 8.886 1.00 63.14 N ATOM 588 CA LYS A 37 1.574 -14.399 9.527 1.00 52.42 C ATOM 589 C LYS A 37 0.636 -15.583 9.211 1.00 2.43 C ATOM 590 O LYS A 37 1.054 -16.745 9.256 1.00 73.55 O ATOM 591 CB LYS A 37 1.721 -14.209 11.067 1.00 31.41 C ATOM 592 CG LYS A 37 2.910 -13.316 11.519 1.00 14.22 C ATOM 593 CD LYS A 37 2.791 -11.812 11.155 1.00 12.03 C ATOM 594 CE LYS A 37 1.755 -11.031 11.988 1.00 72.21 C ATOM 595 NZ LYS A 37 0.337 -11.350 11.645 1.00 32.01 N ATOM 0 H LYS A 37 0.761 -12.457 9.551 1.00 63.14 H new ATOM 0 HA LYS A 37 2.554 -14.636 9.112 1.00 52.42 H new ATOM 0 HB2 LYS A 37 0.797 -13.777 11.452 1.00 31.41 H new ATOM 0 HB3 LYS A 37 1.830 -15.191 11.528 1.00 31.41 H new ATOM 0 HG2 LYS A 37 3.017 -13.403 12.600 1.00 14.22 H new ATOM 0 HG3 LYS A 37 3.825 -13.708 11.076 1.00 14.22 H new ATOM 0 HD2 LYS A 37 3.767 -11.343 11.280 1.00 12.03 H new ATOM 0 HD3 LYS A 37 2.529 -11.726 10.100 1.00 12.03 H new ATOM 0 HE2 LYS A 37 1.919 -11.243 13.045 1.00 72.21 H new ATOM 0 HE3 LYS A 37 1.921 -9.963 11.847 1.00 72.21 H new ATOM 0 HZ1 LYS A 37 -0.293 -10.653 12.091 1.00 32.01 H new ATOM 0 HZ2 LYS A 37 0.214 -11.318 10.613 1.00 32.01 H new ATOM 0 HZ3 LYS A 37 0.101 -12.301 11.992 1.00 32.01 H new ATOM 609 N ASP A 38 -0.624 -15.267 8.915 1.00 64.34 N ATOM 610 CA ASP A 38 -1.636 -16.242 8.496 1.00 64.45 C ATOM 611 C ASP A 38 -2.042 -15.952 7.053 1.00 23.31 C ATOM 612 O ASP A 38 -2.631 -14.904 6.792 1.00 13.05 O ATOM 613 CB ASP A 38 -2.884 -16.146 9.413 1.00 0.33 C ATOM 614 CG ASP A 38 -2.575 -16.419 10.893 1.00 33.01 C ATOM 615 OD1 ASP A 38 -2.166 -15.485 11.613 1.00 44.44 O ATOM 616 OD2 ASP A 38 -2.763 -17.566 11.355 1.00 23.34 O ATOM 0 H ASP A 38 -0.978 -14.312 8.960 1.00 64.34 H new ATOM 0 HA ASP A 38 -1.220 -17.246 8.571 1.00 64.45 H new ATOM 0 HB2 ASP A 38 -3.320 -15.152 9.318 1.00 0.33 H new ATOM 0 HB3 ASP A 38 -3.634 -16.858 9.069 1.00 0.33 H new ATOM 621 N GLU A 39 -1.704 -16.863 6.128 1.00 0.55 N ATOM 622 CA GLU A 39 -2.226 -16.857 4.741 1.00 21.34 C ATOM 623 C GLU A 39 -3.770 -16.894 4.721 1.00 73.31 C ATOM 624 O GLU A 39 -4.389 -16.379 3.792 1.00 50.11 O ATOM 625 CB GLU A 39 -1.640 -18.050 3.926 1.00 15.43 C ATOM 626 CG GLU A 39 -2.089 -19.473 4.365 1.00 25.53 C ATOM 627 CD GLU A 39 -1.616 -19.888 5.775 1.00 3.44 C ATOM 628 OE1 GLU A 39 -0.458 -20.337 5.909 1.00 51.31 O ATOM 629 OE2 GLU A 39 -2.373 -19.723 6.753 1.00 71.43 O ATOM 0 H GLU A 39 -1.059 -17.630 6.316 1.00 0.55 H new ATOM 0 HA GLU A 39 -1.907 -15.926 4.271 1.00 21.34 H new ATOM 0 HB2 GLU A 39 -1.910 -17.914 2.879 1.00 15.43 H new ATOM 0 HB3 GLU A 39 -0.553 -18.002 3.983 1.00 15.43 H new ATOM 0 HG2 GLU A 39 -3.177 -19.523 4.331 1.00 25.53 H new ATOM 0 HG3 GLU A 39 -1.714 -20.198 3.642 1.00 25.53 H new ATOM 636 N LYS A 40 -4.364 -17.520 5.770 1.00 1.14 N ATOM 637 CA LYS A 40 -5.824 -17.551 6.002 1.00 52.05 C ATOM 638 C LYS A 40 -6.396 -16.125 6.067 1.00 11.42 C ATOM 639 O LYS A 40 -7.252 -15.747 5.265 1.00 2.10 O ATOM 640 CB LYS A 40 -6.146 -18.298 7.328 1.00 54.45 C ATOM 641 CG LYS A 40 -5.681 -19.768 7.369 1.00 12.04 C ATOM 642 CD LYS A 40 -5.876 -20.419 8.762 1.00 60.30 C ATOM 643 CE LYS A 40 -5.067 -19.719 9.873 1.00 32.01 C ATOM 644 NZ LYS A 40 -5.301 -20.333 11.216 1.00 23.24 N ATOM 0 H LYS A 40 -3.834 -18.021 6.483 1.00 1.14 H new ATOM 0 HA LYS A 40 -6.286 -18.080 5.168 1.00 52.05 H new ATOM 0 HB2 LYS A 40 -5.680 -17.761 8.154 1.00 54.45 H new ATOM 0 HB3 LYS A 40 -7.223 -18.267 7.494 1.00 54.45 H new ATOM 0 HG2 LYS A 40 -6.234 -20.341 6.624 1.00 12.04 H new ATOM 0 HG3 LYS A 40 -4.628 -19.819 7.093 1.00 12.04 H new ATOM 0 HD2 LYS A 40 -6.934 -20.397 9.022 1.00 60.30 H new ATOM 0 HD3 LYS A 40 -5.582 -21.467 8.711 1.00 60.30 H new ATOM 0 HE2 LYS A 40 -4.005 -19.769 9.633 1.00 32.01 H new ATOM 0 HE3 LYS A 40 -5.337 -18.663 9.906 1.00 32.01 H new ATOM 0 HZ1 LYS A 40 -4.737 -19.830 11.931 1.00 23.24 H new ATOM 0 HZ2 LYS A 40 -6.310 -20.263 11.459 1.00 23.24 H new ATOM 0 HZ3 LYS A 40 -5.019 -21.334 11.194 1.00 23.24 H new ATOM 658 N ARG A 41 -5.860 -15.330 7.018 1.00 32.53 N ATOM 659 CA ARG A 41 -6.334 -13.964 7.285 1.00 54.14 C ATOM 660 C ARG A 41 -5.885 -12.997 6.179 1.00 65.03 C ATOM 661 O ARG A 41 -6.589 -12.037 5.869 1.00 73.34 O ATOM 662 CB ARG A 41 -5.848 -13.487 8.684 1.00 2.12 C ATOM 663 CG ARG A 41 -6.259 -12.035 9.044 1.00 44.33 C ATOM 664 CD ARG A 41 -6.029 -11.679 10.518 1.00 10.20 C ATOM 665 NE ARG A 41 -6.373 -10.274 10.805 1.00 15.23 N ATOM 666 CZ ARG A 41 -7.621 -9.774 10.898 1.00 14.31 C ATOM 667 NH1 ARG A 41 -8.694 -10.553 10.720 1.00 11.00 N ATOM 668 NH2 ARG A 41 -7.780 -8.483 11.178 1.00 32.25 N ATOM 0 H ARG A 41 -5.088 -15.621 7.618 1.00 32.53 H new ATOM 0 HA ARG A 41 -7.424 -13.972 7.288 1.00 54.14 H new ATOM 0 HB2 ARG A 41 -6.244 -14.162 9.442 1.00 2.12 H new ATOM 0 HB3 ARG A 41 -4.761 -13.565 8.724 1.00 2.12 H new ATOM 0 HG2 ARG A 41 -5.696 -11.342 8.419 1.00 44.33 H new ATOM 0 HG3 ARG A 41 -7.313 -11.895 8.805 1.00 44.33 H new ATOM 0 HD2 ARG A 41 -6.629 -12.336 11.148 1.00 10.20 H new ATOM 0 HD3 ARG A 41 -4.985 -11.857 10.776 1.00 10.20 H new ATOM 0 HE ARG A 41 -5.599 -9.624 10.945 1.00 15.23 H new ATOM 0 HH11 ARG A 41 -8.576 -11.544 10.510 1.00 11.00 H new ATOM 0 HH12 ARG A 41 -9.631 -10.156 10.794 1.00 11.00 H new ATOM 0 HH21 ARG A 41 -6.964 -7.887 11.319 1.00 32.25 H new ATOM 0 HH22 ARG A 41 -8.718 -8.089 11.252 1.00 32.25 H new ATOM 682 N LEU A 42 -4.718 -13.294 5.574 1.00 35.41 N ATOM 683 CA LEU A 42 -4.156 -12.539 4.439 1.00 11.12 C ATOM 684 C LEU A 42 -5.145 -12.542 3.261 1.00 50.34 C ATOM 685 O LEU A 42 -5.458 -11.486 2.706 1.00 23.21 O ATOM 686 CB LEU A 42 -2.777 -13.175 4.053 1.00 44.14 C ATOM 687 CG LEU A 42 -1.946 -12.561 2.860 1.00 72.05 C ATOM 688 CD1 LEU A 42 -0.451 -12.919 2.986 1.00 21.44 C ATOM 689 CD2 LEU A 42 -2.467 -13.026 1.481 1.00 23.05 C ATOM 0 H LEU A 42 -4.132 -14.076 5.865 1.00 35.41 H new ATOM 0 HA LEU A 42 -3.993 -11.497 4.714 1.00 11.12 H new ATOM 0 HB2 LEU A 42 -2.144 -13.147 4.940 1.00 44.14 H new ATOM 0 HB3 LEU A 42 -2.955 -14.225 3.821 1.00 44.14 H new ATOM 0 HG LEU A 42 -2.070 -11.480 2.924 1.00 72.05 H new ATOM 0 HD11 LEU A 42 0.099 -12.484 2.152 1.00 21.44 H new ATOM 0 HD12 LEU A 42 -0.060 -12.524 3.924 1.00 21.44 H new ATOM 0 HD13 LEU A 42 -0.334 -14.003 2.972 1.00 21.44 H new ATOM 0 HD21 LEU A 42 -1.863 -12.576 0.693 1.00 23.05 H new ATOM 0 HD22 LEU A 42 -2.401 -14.112 1.414 1.00 23.05 H new ATOM 0 HD23 LEU A 42 -3.506 -12.718 1.362 1.00 23.05 H new ATOM 701 N GLU A 43 -5.617 -13.750 2.905 1.00 73.24 N ATOM 702 CA GLU A 43 -6.532 -13.988 1.773 1.00 3.42 C ATOM 703 C GLU A 43 -7.828 -13.167 1.918 1.00 21.54 C ATOM 704 O GLU A 43 -8.264 -12.502 0.967 1.00 13.43 O ATOM 705 CB GLU A 43 -6.857 -15.504 1.726 1.00 51.33 C ATOM 706 CG GLU A 43 -7.414 -16.030 0.392 1.00 23.13 C ATOM 707 CD GLU A 43 -6.385 -16.004 -0.755 1.00 74.41 C ATOM 708 OE1 GLU A 43 -5.353 -16.687 -0.658 1.00 74.25 O ATOM 709 OE2 GLU A 43 -6.608 -15.319 -1.772 1.00 3.40 O ATOM 0 H GLU A 43 -5.369 -14.604 3.405 1.00 73.24 H new ATOM 0 HA GLU A 43 -6.053 -13.672 0.846 1.00 3.42 H new ATOM 0 HB2 GLU A 43 -5.949 -16.058 1.962 1.00 51.33 H new ATOM 0 HB3 GLU A 43 -7.579 -15.726 2.512 1.00 51.33 H new ATOM 0 HG2 GLU A 43 -7.765 -17.052 0.532 1.00 23.13 H new ATOM 0 HG3 GLU A 43 -8.279 -15.432 0.107 1.00 23.13 H new ATOM 716 N GLU A 44 -8.413 -13.213 3.129 1.00 54.14 N ATOM 717 CA GLU A 44 -9.633 -12.465 3.460 1.00 34.35 C ATOM 718 C GLU A 44 -9.371 -10.954 3.353 1.00 3.43 C ATOM 719 O GLU A 44 -10.145 -10.224 2.732 1.00 21.41 O ATOM 720 CB GLU A 44 -10.099 -12.825 4.893 1.00 64.01 C ATOM 721 CG GLU A 44 -10.424 -14.318 5.107 1.00 20.00 C ATOM 722 CD GLU A 44 -11.662 -14.809 4.327 1.00 13.12 C ATOM 723 OE1 GLU A 44 -12.798 -14.612 4.820 1.00 23.24 O ATOM 724 OE2 GLU A 44 -11.517 -15.384 3.227 1.00 55.12 O ATOM 0 H GLU A 44 -8.051 -13.770 3.903 1.00 54.14 H new ATOM 0 HA GLU A 44 -10.418 -12.735 2.754 1.00 34.35 H new ATOM 0 HB2 GLU A 44 -9.321 -12.531 5.598 1.00 64.01 H new ATOM 0 HB3 GLU A 44 -10.985 -12.236 5.132 1.00 64.01 H new ATOM 0 HG2 GLU A 44 -9.561 -14.913 4.810 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -10.583 -14.496 6.171 1.00 20.00 H new ATOM 731 N LYS A 45 -8.219 -10.533 3.923 1.00 21.14 N ATOM 732 CA LYS A 45 -7.824 -9.121 4.049 1.00 33.15 C ATOM 733 C LYS A 45 -7.678 -8.440 2.671 1.00 24.52 C ATOM 734 O LYS A 45 -8.099 -7.289 2.507 1.00 43.40 O ATOM 735 CB LYS A 45 -6.504 -9.000 4.872 1.00 45.03 C ATOM 736 CG LYS A 45 -6.036 -7.562 5.227 1.00 22.33 C ATOM 737 CD LYS A 45 -6.900 -6.839 6.299 1.00 20.15 C ATOM 738 CE LYS A 45 -8.209 -6.234 5.759 1.00 70.31 C ATOM 739 NZ LYS A 45 -9.010 -5.596 6.836 1.00 5.54 N ATOM 0 H LYS A 45 -7.531 -11.178 4.312 1.00 21.14 H new ATOM 0 HA LYS A 45 -8.619 -8.600 4.582 1.00 33.15 H new ATOM 0 HB2 LYS A 45 -6.629 -9.557 5.801 1.00 45.03 H new ATOM 0 HB3 LYS A 45 -5.707 -9.489 4.312 1.00 45.03 H new ATOM 0 HG2 LYS A 45 -5.006 -7.608 5.582 1.00 22.33 H new ATOM 0 HG3 LYS A 45 -6.034 -6.961 4.317 1.00 22.33 H new ATOM 0 HD2 LYS A 45 -7.141 -7.547 7.092 1.00 20.15 H new ATOM 0 HD3 LYS A 45 -6.306 -6.045 6.751 1.00 20.15 H new ATOM 0 HE2 LYS A 45 -7.978 -5.495 4.992 1.00 70.31 H new ATOM 0 HE3 LYS A 45 -8.800 -7.015 5.281 1.00 70.31 H new ATOM 0 HZ1 LYS A 45 -9.972 -5.991 6.833 1.00 5.54 H new ATOM 0 HZ2 LYS A 45 -8.563 -5.780 7.757 1.00 5.54 H new ATOM 0 HZ3 LYS A 45 -9.056 -4.570 6.673 1.00 5.54 H new ATOM 753 N ILE A 46 -7.112 -9.184 1.690 1.00 10.00 N ATOM 754 CA ILE A 46 -6.983 -8.722 0.291 1.00 2.23 C ATOM 755 C ILE A 46 -8.367 -8.335 -0.265 1.00 43.23 C ATOM 756 O ILE A 46 -8.544 -7.231 -0.768 1.00 74.43 O ATOM 757 CB ILE A 46 -6.312 -9.816 -0.642 1.00 52.44 C ATOM 758 CG1 ILE A 46 -4.832 -10.090 -0.218 1.00 13.30 C ATOM 759 CG2 ILE A 46 -6.396 -9.433 -2.147 1.00 4.24 C ATOM 760 CD1 ILE A 46 -4.070 -11.058 -1.113 1.00 21.42 C ATOM 0 H ILE A 46 -6.734 -10.118 1.848 1.00 10.00 H new ATOM 0 HA ILE A 46 -6.329 -7.850 0.294 1.00 2.23 H new ATOM 0 HB ILE A 46 -6.880 -10.737 -0.511 1.00 52.44 H new ATOM 0 HG12 ILE A 46 -4.296 -9.141 -0.196 1.00 13.30 H new ATOM 0 HG13 ILE A 46 -4.829 -10.481 0.799 1.00 13.30 H new ATOM 0 HG21 ILE A 46 -5.924 -10.211 -2.747 1.00 4.24 H new ATOM 0 HG22 ILE A 46 -7.441 -9.333 -2.439 1.00 4.24 H new ATOM 0 HG23 ILE A 46 -5.882 -8.486 -2.311 1.00 4.24 H new ATOM 0 HD11 ILE A 46 -3.055 -11.181 -0.735 1.00 21.42 H new ATOM 0 HD12 ILE A 46 -4.575 -12.024 -1.117 1.00 21.42 H new ATOM 0 HD13 ILE A 46 -4.034 -10.663 -2.128 1.00 21.42 H new ATOM 772 N GLN A 47 -9.352 -9.241 -0.088 1.00 70.44 N ATOM 773 CA GLN A 47 -10.714 -9.073 -0.639 1.00 2.22 C ATOM 774 C GLN A 47 -11.507 -7.971 0.102 1.00 22.21 C ATOM 775 O GLN A 47 -12.407 -7.363 -0.482 1.00 0.15 O ATOM 776 CB GLN A 47 -11.479 -10.418 -0.597 1.00 14.53 C ATOM 777 CG GLN A 47 -10.806 -11.563 -1.378 1.00 32.11 C ATOM 778 CD GLN A 47 -10.608 -11.258 -2.870 1.00 22.50 C ATOM 779 OE1 GLN A 47 -9.456 -10.706 -3.226 1.00 22.30 O flip ATOM 780 NE2 GLN A 47 -11.475 -11.532 -3.699 1.00 75.22 N flip ATOM 0 H GLN A 47 -9.227 -10.106 0.438 1.00 70.44 H new ATOM 0 HA GLN A 47 -10.613 -8.754 -1.676 1.00 2.22 H new ATOM 0 HB2 GLN A 47 -11.594 -10.723 0.443 1.00 14.53 H new ATOM 0 HB3 GLN A 47 -12.481 -10.263 -0.996 1.00 14.53 H new ATOM 0 HG2 GLN A 47 -9.837 -11.777 -0.928 1.00 32.11 H new ATOM 0 HG3 GLN A 47 -11.411 -12.464 -1.277 1.00 32.11 H new ATOM 0 HE21 GLN A 47 -12.352 -11.956 -3.398 1.00 75.22 H new ATOM 0 HE22 GLN A 47 -11.316 -11.335 -4.687 1.00 75.22 H new ATOM 789 N LYS A 48 -11.159 -7.719 1.388 1.00 43.01 N ATOM 790 CA LYS A 48 -11.795 -6.642 2.190 1.00 33.44 C ATOM 791 C LYS A 48 -11.312 -5.270 1.702 1.00 71.14 C ATOM 792 O LYS A 48 -12.083 -4.317 1.634 1.00 22.51 O ATOM 793 CB LYS A 48 -11.491 -6.786 3.710 1.00 30.43 C ATOM 794 CG LYS A 48 -11.902 -8.132 4.335 1.00 43.21 C ATOM 795 CD LYS A 48 -13.374 -8.522 4.070 1.00 12.40 C ATOM 796 CE LYS A 48 -13.746 -9.870 4.712 1.00 4.44 C ATOM 797 NZ LYS A 48 -13.608 -9.851 6.194 1.00 3.15 N ATOM 0 H LYS A 48 -10.444 -8.244 1.891 1.00 43.01 H new ATOM 0 HA LYS A 48 -12.873 -6.730 2.054 1.00 33.44 H new ATOM 0 HB2 LYS A 48 -10.422 -6.642 3.866 1.00 30.43 H new ATOM 0 HB3 LYS A 48 -12.001 -5.984 4.244 1.00 30.43 H new ATOM 0 HG2 LYS A 48 -11.253 -8.916 3.945 1.00 43.21 H new ATOM 0 HG3 LYS A 48 -11.736 -8.087 5.411 1.00 43.21 H new ATOM 0 HD2 LYS A 48 -14.030 -7.743 4.460 1.00 12.40 H new ATOM 0 HD3 LYS A 48 -13.546 -8.575 2.995 1.00 12.40 H new ATOM 0 HE2 LYS A 48 -14.773 -10.123 4.449 1.00 4.44 H new ATOM 0 HE3 LYS A 48 -13.109 -10.653 4.301 1.00 4.44 H new ATOM 0 HZ1 LYS A 48 -14.012 -10.723 6.591 1.00 3.15 H new ATOM 0 HZ2 LYS A 48 -12.601 -9.788 6.448 1.00 3.15 H new ATOM 0 HZ3 LYS A 48 -14.114 -9.028 6.579 1.00 3.15 H new ATOM 811 N LEU A 49 -10.017 -5.202 1.365 1.00 63.21 N ATOM 812 CA LEU A 49 -9.374 -3.983 0.849 1.00 71.13 C ATOM 813 C LEU A 49 -9.828 -3.686 -0.586 1.00 14.12 C ATOM 814 O LEU A 49 -10.047 -2.532 -0.939 1.00 11.41 O ATOM 815 CB LEU A 49 -7.842 -4.131 0.916 1.00 21.33 C ATOM 816 CG LEU A 49 -7.215 -4.110 2.336 1.00 61.22 C ATOM 817 CD1 LEU A 49 -5.783 -4.661 2.323 1.00 44.53 C ATOM 818 CD2 LEU A 49 -7.257 -2.688 2.916 1.00 5.22 C ATOM 0 H LEU A 49 -9.381 -5.996 1.443 1.00 63.21 H new ATOM 0 HA LEU A 49 -9.675 -3.141 1.472 1.00 71.13 H new ATOM 0 HB2 LEU A 49 -7.567 -5.069 0.433 1.00 21.33 H new ATOM 0 HB3 LEU A 49 -7.394 -3.328 0.331 1.00 21.33 H new ATOM 0 HG LEU A 49 -7.807 -4.762 2.979 1.00 61.22 H new ATOM 0 HD11 LEU A 49 -5.373 -4.632 3.333 1.00 44.53 H new ATOM 0 HD12 LEU A 49 -5.792 -5.690 1.964 1.00 44.53 H new ATOM 0 HD13 LEU A 49 -5.165 -4.052 1.663 1.00 44.53 H new ATOM 0 HD21 LEU A 49 -6.814 -2.688 3.912 1.00 5.22 H new ATOM 0 HD22 LEU A 49 -6.695 -2.014 2.269 1.00 5.22 H new ATOM 0 HD23 LEU A 49 -8.292 -2.351 2.979 1.00 5.22 H new ATOM 830 N LYS A 50 -9.975 -4.741 -1.408 1.00 4.31 N ATOM 831 CA LYS A 50 -10.496 -4.608 -2.779 1.00 74.24 C ATOM 832 C LYS A 50 -11.974 -4.178 -2.757 1.00 21.55 C ATOM 833 O LYS A 50 -12.422 -3.454 -3.643 1.00 3.01 O ATOM 834 CB LYS A 50 -10.298 -5.918 -3.583 1.00 30.11 C ATOM 835 CG LYS A 50 -8.814 -6.313 -3.781 1.00 41.15 C ATOM 836 CD LYS A 50 -8.616 -7.439 -4.824 1.00 10.33 C ATOM 837 CE LYS A 50 -9.087 -7.015 -6.226 1.00 23.54 C ATOM 838 NZ LYS A 50 -8.812 -8.043 -7.268 1.00 32.33 N ATOM 0 H LYS A 50 -9.739 -5.698 -1.144 1.00 4.31 H new ATOM 0 HA LYS A 50 -9.927 -3.828 -3.286 1.00 74.24 H new ATOM 0 HB2 LYS A 50 -10.815 -6.729 -3.070 1.00 30.11 H new ATOM 0 HB3 LYS A 50 -10.768 -5.808 -4.560 1.00 30.11 H new ATOM 0 HG2 LYS A 50 -8.250 -5.434 -4.093 1.00 41.15 H new ATOM 0 HG3 LYS A 50 -8.400 -6.635 -2.825 1.00 41.15 H new ATOM 0 HD2 LYS A 50 -7.562 -7.715 -4.864 1.00 10.33 H new ATOM 0 HD3 LYS A 50 -9.166 -8.326 -4.509 1.00 10.33 H new ATOM 0 HE2 LYS A 50 -10.158 -6.812 -6.198 1.00 23.54 H new ATOM 0 HE3 LYS A 50 -8.593 -6.084 -6.503 1.00 23.54 H new ATOM 0 HZ1 LYS A 50 -9.151 -7.702 -8.190 1.00 32.33 H new ATOM 0 HZ2 LYS A 50 -7.789 -8.220 -7.319 1.00 32.33 H new ATOM 0 HZ3 LYS A 50 -9.304 -8.926 -7.023 1.00 32.33 H new ATOM 852 N SER A 51 -12.713 -4.623 -1.726 1.00 0.30 N ATOM 853 CA SER A 51 -14.070 -4.129 -1.443 1.00 34.52 C ATOM 854 C SER A 51 -14.055 -2.613 -1.136 1.00 63.52 C ATOM 855 O SER A 51 -14.925 -1.872 -1.603 1.00 75.10 O ATOM 856 CB SER A 51 -14.683 -4.915 -0.271 1.00 4.23 C ATOM 857 OG SER A 51 -15.989 -4.466 0.048 1.00 33.34 O ATOM 0 H SER A 51 -12.388 -5.332 -1.069 1.00 0.30 H new ATOM 0 HA SER A 51 -14.686 -4.283 -2.329 1.00 34.52 H new ATOM 0 HB2 SER A 51 -14.716 -5.975 -0.524 1.00 4.23 H new ATOM 0 HB3 SER A 51 -14.042 -4.817 0.605 1.00 4.23 H new ATOM 0 HG SER A 51 -16.342 -4.992 0.796 1.00 33.34 H new ATOM 863 N GLN A 52 -13.047 -2.166 -0.349 1.00 74.43 N ATOM 864 CA GLN A 52 -12.815 -0.732 -0.050 1.00 62.43 C ATOM 865 C GLN A 52 -12.255 0.023 -1.285 1.00 64.31 C ATOM 866 O GLN A 52 -12.218 1.256 -1.291 1.00 3.12 O ATOM 867 CB GLN A 52 -11.837 -0.595 1.153 1.00 70.04 C ATOM 868 CG GLN A 52 -12.337 -1.213 2.472 1.00 53.40 C ATOM 869 CD GLN A 52 -11.292 -1.164 3.591 1.00 11.14 C ATOM 870 OE1 GLN A 52 -10.452 -2.182 3.684 1.00 53.40 O flip ATOM 871 NE2 GLN A 52 -11.230 -0.212 4.362 1.00 3.41 N flip ATOM 0 H GLN A 52 -12.373 -2.789 0.096 1.00 74.43 H new ATOM 0 HA GLN A 52 -13.773 -0.281 0.208 1.00 62.43 H new ATOM 0 HB2 GLN A 52 -10.889 -1.063 0.886 1.00 70.04 H new ATOM 0 HB3 GLN A 52 -11.635 0.463 1.319 1.00 70.04 H new ATOM 0 HG2 GLN A 52 -13.234 -0.685 2.797 1.00 53.40 H new ATOM 0 HG3 GLN A 52 -12.623 -2.250 2.295 1.00 53.40 H new ATOM 0 HE21 GLN A 52 -11.888 0.562 4.271 1.00 3.41 H new ATOM 0 HE22 GLN A 52 -10.520 -0.194 5.094 1.00 3.41 H new ATOM 880 N GLY A 53 -11.799 -0.732 -2.307 1.00 5.40 N ATOM 881 CA GLY A 53 -11.333 -0.169 -3.579 1.00 32.30 C ATOM 882 C GLY A 53 -9.826 0.036 -3.608 1.00 4.51 C ATOM 883 O GLY A 53 -9.352 1.135 -3.890 1.00 41.51 O ATOM 0 H GLY A 53 -11.746 -1.750 -2.267 1.00 5.40 H new ATOM 0 HA2 GLY A 53 -11.622 -0.833 -4.394 1.00 32.30 H new ATOM 0 HA3 GLY A 53 -11.830 0.785 -3.754 1.00 32.30 H new ATOM 887 N PHE A 54 -9.068 -1.028 -3.293 1.00 42.43 N ATOM 888 CA PHE A 54 -7.589 -1.012 -3.320 1.00 61.12 C ATOM 889 C PHE A 54 -7.062 -2.114 -4.244 1.00 44.13 C ATOM 890 O PHE A 54 -7.638 -3.211 -4.306 1.00 60.41 O ATOM 891 CB PHE A 54 -7.010 -1.192 -1.890 1.00 23.42 C ATOM 892 CG PHE A 54 -7.325 -0.031 -0.950 1.00 13.22 C ATOM 893 CD1 PHE A 54 -6.735 1.215 -1.148 1.00 24.41 C ATOM 894 CD2 PHE A 54 -8.231 -0.168 0.102 1.00 35.32 C ATOM 895 CE1 PHE A 54 -7.031 2.274 -0.317 1.00 34.34 C ATOM 896 CE2 PHE A 54 -8.528 0.898 0.930 1.00 32.40 C ATOM 897 CZ PHE A 54 -7.931 2.118 0.715 1.00 70.33 C ATOM 0 H PHE A 54 -9.461 -1.926 -3.012 1.00 42.43 H new ATOM 0 HA PHE A 54 -7.265 -0.044 -3.704 1.00 61.12 H new ATOM 0 HB2 PHE A 54 -7.405 -2.113 -1.461 1.00 23.42 H new ATOM 0 HB3 PHE A 54 -5.929 -1.310 -1.958 1.00 23.42 H new ATOM 0 HD1 PHE A 54 -6.038 1.353 -1.961 1.00 24.41 H new ATOM 0 HD2 PHE A 54 -8.708 -1.122 0.272 1.00 35.32 H new ATOM 0 HE1 PHE A 54 -6.555 3.231 -0.475 1.00 34.34 H new ATOM 0 HE2 PHE A 54 -9.227 0.773 1.744 1.00 32.40 H new ATOM 0 HZ PHE A 54 -8.168 2.955 1.356 1.00 70.33 H new ATOM 907 N GLU A 55 -5.961 -1.812 -4.964 1.00 44.21 N ATOM 908 CA GLU A 55 -5.279 -2.775 -5.845 1.00 42.33 C ATOM 909 C GLU A 55 -4.274 -3.577 -5.006 1.00 45.42 C ATOM 910 O GLU A 55 -3.107 -3.192 -4.855 1.00 31.42 O ATOM 911 CB GLU A 55 -4.587 -2.055 -7.042 1.00 41.45 C ATOM 912 CG GLU A 55 -3.893 -2.998 -8.058 1.00 74.33 C ATOM 913 CD GLU A 55 -4.848 -4.034 -8.679 1.00 55.01 C ATOM 914 OE1 GLU A 55 -5.544 -3.700 -9.653 1.00 64.04 O ATOM 915 OE2 GLU A 55 -4.913 -5.188 -8.198 1.00 42.11 O ATOM 0 H GLU A 55 -5.522 -0.892 -4.949 1.00 44.21 H new ATOM 0 HA GLU A 55 -6.010 -3.458 -6.278 1.00 42.33 H new ATOM 0 HB2 GLU A 55 -5.333 -1.461 -7.570 1.00 41.45 H new ATOM 0 HB3 GLU A 55 -3.846 -1.359 -6.649 1.00 41.45 H new ATOM 0 HG2 GLU A 55 -3.450 -2.400 -8.854 1.00 74.33 H new ATOM 0 HG3 GLU A 55 -3.076 -3.520 -7.559 1.00 74.33 H new ATOM 922 N VAL A 56 -4.769 -4.670 -4.417 1.00 33.21 N ATOM 923 CA VAL A 56 -4.019 -5.460 -3.433 1.00 44.53 C ATOM 924 C VAL A 56 -3.353 -6.665 -4.107 1.00 10.04 C ATOM 925 O VAL A 56 -4.002 -7.411 -4.844 1.00 3.44 O ATOM 926 CB VAL A 56 -4.935 -5.958 -2.261 1.00 52.53 C ATOM 927 CG1 VAL A 56 -4.093 -6.499 -1.078 1.00 5.02 C ATOM 928 CG2 VAL A 56 -5.884 -4.846 -1.803 1.00 52.34 C ATOM 0 H VAL A 56 -5.703 -5.033 -4.609 1.00 33.21 H new ATOM 0 HA VAL A 56 -3.255 -4.806 -3.013 1.00 44.53 H new ATOM 0 HB VAL A 56 -5.539 -6.784 -2.636 1.00 52.53 H new ATOM 0 HG11 VAL A 56 -4.758 -6.836 -0.283 1.00 5.02 H new ATOM 0 HG12 VAL A 56 -3.482 -7.335 -1.419 1.00 5.02 H new ATOM 0 HG13 VAL A 56 -3.446 -5.707 -0.699 1.00 5.02 H new ATOM 0 HG21 VAL A 56 -6.510 -5.214 -0.990 1.00 52.34 H new ATOM 0 HG22 VAL A 56 -5.303 -3.992 -1.456 1.00 52.34 H new ATOM 0 HG23 VAL A 56 -6.516 -4.540 -2.637 1.00 52.34 H new ATOM 938 N ARG A 57 -2.063 -6.838 -3.817 1.00 62.12 N ATOM 939 CA ARG A 57 -1.219 -7.915 -4.352 1.00 54.23 C ATOM 940 C ARG A 57 -0.440 -8.529 -3.187 1.00 10.21 C ATOM 941 O ARG A 57 0.003 -7.812 -2.286 1.00 0.43 O ATOM 942 CB ARG A 57 -0.242 -7.372 -5.436 1.00 54.43 C ATOM 943 CG ARG A 57 -0.932 -6.748 -6.666 1.00 1.33 C ATOM 944 CD ARG A 57 -1.762 -7.761 -7.478 1.00 74.55 C ATOM 945 NE ARG A 57 -2.612 -7.087 -8.471 1.00 53.41 N ATOM 946 CZ ARG A 57 -2.597 -7.287 -9.793 1.00 44.15 C ATOM 947 NH1 ARG A 57 -1.749 -8.156 -10.355 1.00 1.43 N ATOM 948 NH2 ARG A 57 -3.450 -6.612 -10.548 1.00 74.30 N ATOM 0 H ARG A 57 -1.559 -6.216 -3.185 1.00 62.12 H new ATOM 0 HA ARG A 57 -1.843 -8.671 -4.829 1.00 54.23 H new ATOM 0 HB2 ARG A 57 0.406 -6.623 -4.980 1.00 54.43 H new ATOM 0 HB3 ARG A 57 0.399 -8.188 -5.770 1.00 54.43 H new ATOM 0 HG2 ARG A 57 -1.582 -5.937 -6.337 1.00 1.33 H new ATOM 0 HG3 ARG A 57 -0.175 -6.307 -7.314 1.00 1.33 H new ATOM 0 HD2 ARG A 57 -1.094 -8.459 -7.983 1.00 74.55 H new ATOM 0 HD3 ARG A 57 -2.385 -8.348 -6.803 1.00 74.55 H new ATOM 0 HE ARG A 57 -3.278 -6.400 -8.117 1.00 53.41 H new ATOM 0 HH11 ARG A 57 -1.097 -8.681 -9.773 1.00 1.43 H new ATOM 0 HH12 ARG A 57 -1.755 -8.293 -11.366 1.00 1.43 H new ATOM 0 HH21 ARG A 57 -4.101 -5.955 -10.119 1.00 74.30 H new ATOM 0 HH22 ARG A 57 -3.456 -6.749 -11.559 1.00 74.30 H new ATOM 962 N LYS A 58 -0.280 -9.849 -3.200 1.00 54.41 N ATOM 963 CA LYS A 58 0.400 -10.579 -2.124 1.00 34.30 C ATOM 964 C LYS A 58 1.918 -10.616 -2.392 1.00 22.32 C ATOM 965 O LYS A 58 2.349 -10.812 -3.533 1.00 12.30 O ATOM 966 CB LYS A 58 -0.181 -12.008 -2.023 1.00 72.12 C ATOM 967 CG LYS A 58 0.548 -12.948 -1.033 1.00 24.02 C ATOM 968 CD LYS A 58 -0.119 -14.336 -0.955 1.00 34.43 C ATOM 969 CE LYS A 58 -0.179 -15.045 -2.318 1.00 23.53 C ATOM 970 NZ LYS A 58 -1.088 -16.219 -2.295 1.00 75.14 N ATOM 0 H LYS A 58 -0.617 -10.447 -3.955 1.00 54.41 H new ATOM 0 HA LYS A 58 0.236 -10.070 -1.174 1.00 34.30 H new ATOM 0 HB2 LYS A 58 -1.228 -11.937 -1.728 1.00 72.12 H new ATOM 0 HB3 LYS A 58 -0.159 -12.463 -3.013 1.00 72.12 H new ATOM 0 HG2 LYS A 58 1.587 -13.062 -1.341 1.00 24.02 H new ATOM 0 HG3 LYS A 58 0.557 -12.494 -0.042 1.00 24.02 H new ATOM 0 HD2 LYS A 58 0.431 -14.959 -0.250 1.00 34.43 H new ATOM 0 HD3 LYS A 58 -1.130 -14.227 -0.562 1.00 34.43 H new ATOM 0 HE2 LYS A 58 -0.516 -14.341 -3.079 1.00 23.53 H new ATOM 0 HE3 LYS A 58 0.822 -15.367 -2.603 1.00 23.53 H new ATOM 0 HZ1 LYS A 58 -1.099 -16.668 -3.233 1.00 75.14 H new ATOM 0 HZ2 LYS A 58 -0.753 -16.904 -1.588 1.00 75.14 H new ATOM 0 HZ3 LYS A 58 -2.049 -15.909 -2.048 1.00 75.14 H new ATOM 984 N VAL A 59 2.707 -10.433 -1.330 1.00 75.44 N ATOM 985 CA VAL A 59 4.184 -10.514 -1.364 1.00 43.40 C ATOM 986 C VAL A 59 4.662 -11.276 -0.117 1.00 64.50 C ATOM 987 O VAL A 59 3.841 -11.669 0.724 1.00 74.35 O ATOM 988 CB VAL A 59 4.864 -9.096 -1.405 1.00 62.34 C ATOM 989 CG1 VAL A 59 4.694 -8.418 -2.784 1.00 2.11 C ATOM 990 CG2 VAL A 59 4.317 -8.217 -0.260 1.00 53.21 C ATOM 0 H VAL A 59 2.339 -10.220 -0.403 1.00 75.44 H new ATOM 0 HA VAL A 59 4.472 -11.035 -2.277 1.00 43.40 H new ATOM 0 HB VAL A 59 5.936 -9.223 -1.257 1.00 62.34 H new ATOM 0 HG11 VAL A 59 5.177 -7.441 -2.771 1.00 2.11 H new ATOM 0 HG12 VAL A 59 5.152 -9.039 -3.554 1.00 2.11 H new ATOM 0 HG13 VAL A 59 3.633 -8.295 -3.001 1.00 2.11 H new ATOM 0 HG21 VAL A 59 4.792 -7.237 -0.295 1.00 53.21 H new ATOM 0 HG22 VAL A 59 3.239 -8.102 -0.373 1.00 53.21 H new ATOM 0 HG23 VAL A 59 4.533 -8.691 0.698 1.00 53.21 H new ATOM 1000 N LYS A 60 5.980 -11.485 -0.004 1.00 50.15 N ATOM 1001 CA LYS A 60 6.597 -12.164 1.154 1.00 35.25 C ATOM 1002 C LYS A 60 7.280 -11.154 2.096 1.00 21.12 C ATOM 1003 O LYS A 60 6.723 -10.761 3.128 1.00 63.41 O ATOM 1004 CB LYS A 60 7.610 -13.237 0.663 1.00 34.14 C ATOM 1005 CG LYS A 60 6.981 -14.466 -0.004 1.00 3.15 C ATOM 1006 CD LYS A 60 6.099 -15.279 0.974 1.00 34.25 C ATOM 1007 CE LYS A 60 5.806 -16.691 0.452 1.00 73.30 C ATOM 1008 NZ LYS A 60 7.062 -17.470 0.227 1.00 74.13 N ATOM 0 H LYS A 60 6.653 -11.190 -0.711 1.00 50.15 H new ATOM 0 HA LYS A 60 5.809 -12.659 1.722 1.00 35.25 H new ATOM 0 HB2 LYS A 60 8.296 -12.770 -0.044 1.00 34.14 H new ATOM 0 HB3 LYS A 60 8.205 -13.569 1.514 1.00 34.14 H new ATOM 0 HG2 LYS A 60 6.378 -14.146 -0.854 1.00 3.15 H new ATOM 0 HG3 LYS A 60 7.770 -15.107 -0.397 1.00 3.15 H new ATOM 0 HD2 LYS A 60 6.599 -15.347 1.940 1.00 34.25 H new ATOM 0 HD3 LYS A 60 5.159 -14.752 1.137 1.00 34.25 H new ATOM 0 HE2 LYS A 60 5.174 -17.219 1.166 1.00 73.30 H new ATOM 0 HE3 LYS A 60 5.247 -16.625 -0.481 1.00 73.30 H new ATOM 0 HZ1 LYS A 60 6.850 -18.488 0.258 1.00 74.13 H new ATOM 0 HZ2 LYS A 60 7.459 -17.228 -0.703 1.00 74.13 H new ATOM 0 HZ3 LYS A 60 7.752 -17.237 0.969 1.00 74.13 H new ATOM 1022 N ASP A 61 8.472 -10.709 1.702 1.00 41.31 N ATOM 1023 CA ASP A 61 9.377 -9.910 2.556 1.00 0.12 C ATOM 1024 C ASP A 61 9.710 -8.597 1.830 1.00 64.23 C ATOM 1025 O ASP A 61 9.308 -8.420 0.680 1.00 15.23 O ATOM 1026 CB ASP A 61 10.665 -10.754 2.841 1.00 63.44 C ATOM 1027 CG ASP A 61 11.605 -10.129 3.896 1.00 42.52 C ATOM 1028 OD1 ASP A 61 11.352 -10.293 5.107 1.00 43.14 O ATOM 1029 OD2 ASP A 61 12.599 -9.464 3.517 1.00 61.21 O ATOM 0 H ASP A 61 8.849 -10.890 0.772 1.00 41.31 H new ATOM 0 HA ASP A 61 8.908 -9.663 3.509 1.00 0.12 H new ATOM 0 HB2 ASP A 61 10.369 -11.748 3.177 1.00 63.44 H new ATOM 0 HB3 ASP A 61 11.216 -10.883 1.909 1.00 63.44 H new ATOM 1034 N ASP A 62 10.468 -7.687 2.482 1.00 2.25 N ATOM 1035 CA ASP A 62 10.843 -6.381 1.883 1.00 33.14 C ATOM 1036 C ASP A 62 11.887 -6.571 0.758 1.00 5.53 C ATOM 1037 O ASP A 62 12.123 -5.668 -0.046 1.00 15.24 O ATOM 1038 CB ASP A 62 11.340 -5.372 2.946 1.00 74.12 C ATOM 1039 CG ASP A 62 11.507 -3.937 2.379 1.00 54.41 C ATOM 1040 OD1 ASP A 62 10.490 -3.240 2.171 1.00 21.12 O ATOM 1041 OD2 ASP A 62 12.655 -3.495 2.140 1.00 21.20 O ATOM 0 H ASP A 62 10.833 -7.831 3.423 1.00 2.25 H new ATOM 0 HA ASP A 62 9.941 -5.956 1.443 1.00 33.14 H new ATOM 0 HB2 ASP A 62 10.635 -5.350 3.777 1.00 74.12 H new ATOM 0 HB3 ASP A 62 12.295 -5.713 3.346 1.00 74.12 H new ATOM 1046 N ASP A 63 12.502 -7.766 0.725 1.00 4.32 N ATOM 1047 CA ASP A 63 13.287 -8.245 -0.432 1.00 42.31 C ATOM 1048 C ASP A 63 12.406 -8.222 -1.700 1.00 72.45 C ATOM 1049 O ASP A 63 12.809 -7.702 -2.736 1.00 41.41 O ATOM 1050 CB ASP A 63 13.812 -9.688 -0.164 1.00 61.34 C ATOM 1051 CG ASP A 63 14.709 -10.228 -1.298 1.00 63.03 C ATOM 1052 OD1 ASP A 63 14.188 -10.832 -2.267 1.00 42.32 O ATOM 1053 OD2 ASP A 63 15.941 -10.051 -1.227 1.00 65.52 O ATOM 0 H ASP A 63 12.470 -8.429 1.499 1.00 4.32 H new ATOM 0 HA ASP A 63 14.144 -7.588 -0.582 1.00 42.31 H new ATOM 0 HB2 ASP A 63 14.374 -9.696 0.770 1.00 61.34 H new ATOM 0 HB3 ASP A 63 12.963 -10.358 -0.031 1.00 61.34 H new ATOM 1058 N ASP A 64 11.195 -8.785 -1.566 1.00 20.01 N ATOM 1059 CA ASP A 64 10.187 -8.851 -2.639 1.00 51.30 C ATOM 1060 C ASP A 64 9.538 -7.473 -2.854 1.00 73.20 C ATOM 1061 O ASP A 64 9.375 -7.046 -3.985 1.00 72.11 O ATOM 1062 CB ASP A 64 9.099 -9.905 -2.272 1.00 51.21 C ATOM 1063 CG ASP A 64 9.681 -11.307 -2.019 1.00 33.34 C ATOM 1064 OD1 ASP A 64 10.163 -11.575 -0.892 1.00 64.52 O ATOM 1065 OD2 ASP A 64 9.666 -12.149 -2.945 1.00 64.15 O ATOM 0 H ASP A 64 10.882 -9.215 -0.695 1.00 20.01 H new ATOM 0 HA ASP A 64 10.677 -9.148 -3.566 1.00 51.30 H new ATOM 0 HB2 ASP A 64 8.565 -9.573 -1.381 1.00 51.21 H new ATOM 0 HB3 ASP A 64 8.368 -9.961 -3.079 1.00 51.21 H new ATOM 1070 N ILE A 65 9.217 -6.786 -1.734 1.00 14.10 N ATOM 1071 CA ILE A 65 8.468 -5.503 -1.736 1.00 73.11 C ATOM 1072 C ILE A 65 9.264 -4.393 -2.457 1.00 12.23 C ATOM 1073 O ILE A 65 8.777 -3.817 -3.422 1.00 52.25 O ATOM 1074 CB ILE A 65 8.103 -5.052 -0.263 1.00 64.44 C ATOM 1075 CG1 ILE A 65 7.167 -6.103 0.421 1.00 50.31 C ATOM 1076 CG2 ILE A 65 7.477 -3.638 -0.224 1.00 52.51 C ATOM 1077 CD1 ILE A 65 6.964 -5.918 1.919 1.00 12.11 C ATOM 0 H ILE A 65 9.470 -7.105 -0.799 1.00 14.10 H new ATOM 0 HA ILE A 65 7.540 -5.668 -2.283 1.00 73.11 H new ATOM 0 HB ILE A 65 9.034 -5.001 0.301 1.00 64.44 H new ATOM 0 HG12 ILE A 65 6.193 -6.070 -0.068 1.00 50.31 H new ATOM 0 HG13 ILE A 65 7.577 -7.098 0.247 1.00 50.31 H new ATOM 0 HG21 ILE A 65 7.243 -3.372 0.807 1.00 52.51 H new ATOM 0 HG22 ILE A 65 8.183 -2.916 -0.634 1.00 52.51 H new ATOM 0 HG23 ILE A 65 6.563 -3.628 -0.817 1.00 52.51 H new ATOM 0 HD11 ILE A 65 6.300 -6.697 2.295 1.00 12.11 H new ATOM 0 HD12 ILE A 65 7.926 -5.984 2.427 1.00 12.11 H new ATOM 0 HD13 ILE A 65 6.520 -4.940 2.108 1.00 12.11 H new ATOM 1089 N ASP A 66 10.510 -4.147 -2.008 1.00 34.53 N ATOM 1090 CA ASP A 66 11.380 -3.079 -2.572 1.00 42.53 C ATOM 1091 C ASP A 66 11.635 -3.301 -4.075 1.00 2.30 C ATOM 1092 O ASP A 66 11.692 -2.354 -4.859 1.00 21.31 O ATOM 1093 CB ASP A 66 12.721 -3.025 -1.794 1.00 51.21 C ATOM 1094 CG ASP A 66 13.624 -1.853 -2.222 1.00 61.00 C ATOM 1095 OD1 ASP A 66 13.240 -0.696 -1.971 1.00 44.02 O ATOM 1096 OD2 ASP A 66 14.714 -2.077 -2.791 1.00 5.13 O ATOM 0 H ASP A 66 10.945 -4.674 -1.251 1.00 34.53 H new ATOM 0 HA ASP A 66 10.866 -2.124 -2.462 1.00 42.53 H new ATOM 0 HB2 ASP A 66 12.512 -2.943 -0.727 1.00 51.21 H new ATOM 0 HB3 ASP A 66 13.258 -3.962 -1.943 1.00 51.21 H new ATOM 1101 N LYS A 67 11.719 -4.581 -4.436 1.00 55.10 N ATOM 1102 CA LYS A 67 11.959 -5.060 -5.805 1.00 73.44 C ATOM 1103 C LYS A 67 10.663 -4.969 -6.655 1.00 65.21 C ATOM 1104 O LYS A 67 10.722 -4.723 -7.868 1.00 74.33 O ATOM 1105 CB LYS A 67 12.498 -6.504 -5.681 1.00 3.12 C ATOM 1106 CG LYS A 67 12.807 -7.262 -6.986 1.00 53.22 C ATOM 1107 CD LYS A 67 13.594 -8.578 -6.719 1.00 15.22 C ATOM 1108 CE LYS A 67 12.935 -9.482 -5.649 1.00 54.44 C ATOM 1109 NZ LYS A 67 13.773 -10.676 -5.322 1.00 73.41 N ATOM 0 H LYS A 67 11.619 -5.342 -3.764 1.00 55.10 H new ATOM 0 HA LYS A 67 12.690 -4.442 -6.327 1.00 73.44 H new ATOM 0 HB2 LYS A 67 13.411 -6.472 -5.086 1.00 3.12 H new ATOM 0 HB3 LYS A 67 11.770 -7.088 -5.117 1.00 3.12 H new ATOM 0 HG2 LYS A 67 11.875 -7.494 -7.501 1.00 53.22 H new ATOM 0 HG3 LYS A 67 13.386 -6.621 -7.650 1.00 53.22 H new ATOM 0 HD2 LYS A 67 13.682 -9.136 -7.651 1.00 15.22 H new ATOM 0 HD3 LYS A 67 14.606 -8.329 -6.400 1.00 15.22 H new ATOM 0 HE2 LYS A 67 12.763 -8.902 -4.742 1.00 54.44 H new ATOM 0 HE3 LYS A 67 11.959 -9.812 -6.006 1.00 54.44 H new ATOM 0 HZ1 LYS A 67 13.275 -11.541 -5.615 1.00 73.41 H new ATOM 0 HZ2 LYS A 67 14.680 -10.612 -5.826 1.00 73.41 H new ATOM 0 HZ3 LYS A 67 13.948 -10.707 -4.297 1.00 73.41 H new ATOM 1123 N TRP A 68 9.505 -5.144 -5.982 1.00 50.23 N ATOM 1124 CA TRP A 68 8.159 -5.062 -6.596 1.00 1.43 C ATOM 1125 C TRP A 68 7.848 -3.610 -7.003 1.00 74.22 C ATOM 1126 O TRP A 68 7.338 -3.364 -8.086 1.00 35.12 O ATOM 1127 CB TRP A 68 7.081 -5.592 -5.596 1.00 72.42 C ATOM 1128 CG TRP A 68 5.733 -5.926 -6.204 1.00 12.11 C ATOM 1129 CD1 TRP A 68 5.329 -7.152 -6.657 1.00 74.34 C ATOM 1130 CD2 TRP A 68 4.618 -5.035 -6.419 1.00 0.20 C ATOM 1131 NE1 TRP A 68 4.044 -7.086 -7.119 1.00 71.31 N ATOM 1132 CE2 TRP A 68 3.587 -5.800 -6.993 1.00 44.22 C ATOM 1133 CE3 TRP A 68 4.390 -3.672 -6.178 1.00 33.54 C ATOM 1134 CZ2 TRP A 68 2.353 -5.249 -7.333 1.00 73.40 C ATOM 1135 CZ3 TRP A 68 3.166 -3.127 -6.517 1.00 12.44 C ATOM 1136 CH2 TRP A 68 2.159 -3.916 -7.088 1.00 74.52 C ATOM 0 H TRP A 68 9.477 -5.349 -4.983 1.00 50.23 H new ATOM 0 HA TRP A 68 8.140 -5.684 -7.491 1.00 1.43 H new ATOM 0 HB2 TRP A 68 7.471 -6.485 -5.109 1.00 72.42 H new ATOM 0 HB3 TRP A 68 6.933 -4.843 -4.818 1.00 72.42 H new ATOM 0 HD1 TRP A 68 5.938 -8.044 -6.651 1.00 74.34 H new ATOM 0 HE1 TRP A 68 3.511 -7.869 -7.497 1.00 71.31 H new ATOM 0 HE3 TRP A 68 5.159 -3.058 -5.734 1.00 33.54 H new ATOM 0 HZ2 TRP A 68 1.575 -5.854 -7.775 1.00 73.40 H new ATOM 0 HZ3 TRP A 68 2.983 -2.078 -6.339 1.00 12.44 H new ATOM 0 HH2 TRP A 68 1.211 -3.464 -7.340 1.00 74.52 H new ATOM 1147 N ILE A 69 8.181 -2.659 -6.120 1.00 1.42 N ATOM 1148 CA ILE A 69 7.968 -1.214 -6.367 1.00 5.22 C ATOM 1149 C ILE A 69 8.987 -0.712 -7.410 1.00 34.04 C ATOM 1150 O ILE A 69 8.643 0.085 -8.293 1.00 33.10 O ATOM 1151 CB ILE A 69 8.042 -0.372 -5.020 1.00 34.42 C ATOM 1152 CG1 ILE A 69 6.708 -0.499 -4.210 1.00 23.35 C ATOM 1153 CG2 ILE A 69 8.394 1.117 -5.251 1.00 33.15 C ATOM 1154 CD1 ILE A 69 6.477 -1.844 -3.555 1.00 4.24 C ATOM 0 H ILE A 69 8.605 -2.862 -5.215 1.00 1.42 H new ATOM 0 HA ILE A 69 6.963 -1.072 -6.765 1.00 5.22 H new ATOM 0 HB ILE A 69 8.858 -0.800 -4.437 1.00 34.42 H new ATOM 0 HG12 ILE A 69 6.696 0.270 -3.438 1.00 23.35 H new ATOM 0 HG13 ILE A 69 5.874 -0.291 -4.880 1.00 23.35 H new ATOM 0 HG21 ILE A 69 8.429 1.636 -4.293 1.00 33.15 H new ATOM 0 HG22 ILE A 69 9.366 1.190 -5.738 1.00 33.15 H new ATOM 0 HG23 ILE A 69 7.635 1.576 -5.885 1.00 33.15 H new ATOM 0 HD11 ILE A 69 5.528 -1.830 -3.019 1.00 4.24 H new ATOM 0 HD12 ILE A 69 6.451 -2.621 -4.319 1.00 4.24 H new ATOM 0 HD13 ILE A 69 7.286 -2.051 -2.854 1.00 4.24 H new ATOM 1166 N ASP A 70 10.229 -1.231 -7.302 1.00 53.11 N ATOM 1167 CA ASP A 70 11.345 -0.908 -8.217 1.00 4.41 C ATOM 1168 C ASP A 70 10.961 -1.194 -9.677 1.00 32.03 C ATOM 1169 O ASP A 70 11.207 -0.364 -10.566 1.00 62.12 O ATOM 1170 CB ASP A 70 12.613 -1.712 -7.816 1.00 34.52 C ATOM 1171 CG ASP A 70 13.867 -1.370 -8.645 1.00 33.33 C ATOM 1172 OD1 ASP A 70 14.559 -0.387 -8.324 1.00 33.51 O ATOM 1173 OD2 ASP A 70 14.182 -2.095 -9.608 1.00 72.32 O ATOM 0 H ASP A 70 10.488 -1.893 -6.570 1.00 53.11 H new ATOM 0 HA ASP A 70 11.563 0.157 -8.132 1.00 4.41 H new ATOM 0 HB2 ASP A 70 12.827 -1.530 -6.763 1.00 34.52 H new ATOM 0 HB3 ASP A 70 12.402 -2.776 -7.919 1.00 34.52 H new ATOM 1178 N LYS A 71 10.307 -2.347 -9.902 1.00 51.54 N ATOM 1179 CA LYS A 71 9.912 -2.762 -11.255 1.00 73.11 C ATOM 1180 C LYS A 71 8.707 -1.947 -11.760 1.00 22.11 C ATOM 1181 O LYS A 71 8.658 -1.630 -12.938 1.00 24.31 O ATOM 1182 CB LYS A 71 9.656 -4.291 -11.355 1.00 22.05 C ATOM 1183 CG LYS A 71 8.466 -4.840 -10.541 1.00 22.40 C ATOM 1184 CD LYS A 71 8.362 -6.384 -10.564 1.00 3.23 C ATOM 1185 CE LYS A 71 8.176 -6.965 -11.978 1.00 34.33 C ATOM 1186 NZ LYS A 71 6.922 -6.488 -12.620 1.00 54.12 N ATOM 0 H LYS A 71 10.043 -3.003 -9.167 1.00 51.54 H new ATOM 0 HA LYS A 71 10.755 -2.548 -11.912 1.00 73.11 H new ATOM 0 HB2 LYS A 71 9.499 -4.544 -12.404 1.00 22.05 H new ATOM 0 HB3 LYS A 71 10.559 -4.811 -11.034 1.00 22.05 H new ATOM 0 HG2 LYS A 71 8.558 -4.505 -9.508 1.00 22.40 H new ATOM 0 HG3 LYS A 71 7.542 -4.416 -10.933 1.00 22.40 H new ATOM 0 HD2 LYS A 71 9.263 -6.808 -10.121 1.00 3.23 H new ATOM 0 HD3 LYS A 71 7.524 -6.693 -9.939 1.00 3.23 H new ATOM 0 HE2 LYS A 71 9.028 -6.687 -12.598 1.00 34.33 H new ATOM 0 HE3 LYS A 71 8.163 -8.054 -11.923 1.00 34.33 H new ATOM 0 HZ1 LYS A 71 6.724 -7.063 -13.464 1.00 54.12 H new ATOM 0 HZ2 LYS A 71 6.133 -6.576 -11.948 1.00 54.12 H new ATOM 0 HZ3 LYS A 71 7.031 -5.492 -12.897 1.00 54.12 H new ATOM 1200 N ILE A 72 7.765 -1.567 -10.861 1.00 72.23 N ATOM 1201 CA ILE A 72 6.606 -0.716 -11.250 1.00 13.15 C ATOM 1202 C ILE A 72 7.103 0.651 -11.785 1.00 51.30 C ATOM 1203 O ILE A 72 6.572 1.171 -12.757 1.00 41.43 O ATOM 1204 CB ILE A 72 5.593 -0.475 -10.055 1.00 12.14 C ATOM 1205 CG1 ILE A 72 5.038 -1.816 -9.486 1.00 53.15 C ATOM 1206 CG2 ILE A 72 4.419 0.448 -10.482 1.00 51.34 C ATOM 1207 CD1 ILE A 72 4.192 -2.638 -10.442 1.00 2.54 C ATOM 0 H ILE A 72 7.781 -1.830 -9.876 1.00 72.23 H new ATOM 0 HA ILE A 72 6.070 -1.256 -12.031 1.00 13.15 H new ATOM 0 HB ILE A 72 6.156 0.022 -9.265 1.00 12.14 H new ATOM 0 HG12 ILE A 72 5.880 -2.426 -9.159 1.00 53.15 H new ATOM 0 HG13 ILE A 72 4.442 -1.594 -8.601 1.00 53.15 H new ATOM 0 HG21 ILE A 72 3.744 0.592 -9.638 1.00 51.34 H new ATOM 0 HG22 ILE A 72 4.812 1.413 -10.801 1.00 51.34 H new ATOM 0 HG23 ILE A 72 3.876 -0.013 -11.307 1.00 51.34 H new ATOM 0 HD11 ILE A 72 3.859 -3.548 -9.943 1.00 2.54 H new ATOM 0 HD12 ILE A 72 3.324 -2.056 -10.752 1.00 2.54 H new ATOM 0 HD13 ILE A 72 4.785 -2.901 -11.318 1.00 2.54 H new ATOM 1219 N LYS A 73 8.162 1.185 -11.154 1.00 4.43 N ATOM 1220 CA LYS A 73 8.731 2.503 -11.511 1.00 62.41 C ATOM 1221 C LYS A 73 9.506 2.477 -12.846 1.00 72.20 C ATOM 1222 O LYS A 73 9.598 3.512 -13.514 1.00 74.24 O ATOM 1223 CB LYS A 73 9.646 3.015 -10.375 1.00 1.03 C ATOM 1224 CG LYS A 73 8.907 3.257 -9.044 1.00 73.13 C ATOM 1225 CD LYS A 73 9.831 3.751 -7.912 1.00 31.21 C ATOM 1226 CE LYS A 73 10.978 2.772 -7.606 1.00 53.41 C ATOM 1227 NZ LYS A 73 11.823 3.241 -6.480 1.00 31.33 N ATOM 0 H LYS A 73 8.648 0.722 -10.386 1.00 4.43 H new ATOM 0 HA LYS A 73 7.891 3.186 -11.643 1.00 62.41 H new ATOM 0 HB2 LYS A 73 10.445 2.292 -10.210 1.00 1.03 H new ATOM 0 HB3 LYS A 73 10.118 3.945 -10.692 1.00 1.03 H new ATOM 0 HG2 LYS A 73 8.116 3.990 -9.204 1.00 73.13 H new ATOM 0 HG3 LYS A 73 8.424 2.331 -8.731 1.00 73.13 H new ATOM 0 HD2 LYS A 73 10.250 4.719 -8.188 1.00 31.21 H new ATOM 0 HD3 LYS A 73 9.241 3.905 -7.009 1.00 31.21 H new ATOM 0 HE2 LYS A 73 10.564 1.793 -7.366 1.00 53.41 H new ATOM 0 HE3 LYS A 73 11.596 2.648 -8.496 1.00 53.41 H new ATOM 0 HZ1 LYS A 73 12.583 2.553 -6.307 1.00 31.33 H new ATOM 0 HZ2 LYS A 73 12.239 4.164 -6.719 1.00 31.33 H new ATOM 0 HZ3 LYS A 73 11.240 3.335 -5.624 1.00 31.33 H new ATOM 1241 N LYS A 74 10.071 1.311 -13.223 1.00 20.35 N ATOM 1242 CA LYS A 74 10.883 1.196 -14.462 1.00 33.54 C ATOM 1243 C LYS A 74 9.988 0.840 -15.669 1.00 4.21 C ATOM 1244 O LYS A 74 10.201 1.337 -16.783 1.00 71.13 O ATOM 1245 CB LYS A 74 12.038 0.163 -14.295 1.00 31.31 C ATOM 1246 CG LYS A 74 11.625 -1.328 -14.271 1.00 74.43 C ATOM 1247 CD LYS A 74 12.792 -2.286 -13.949 1.00 63.45 C ATOM 1248 CE LYS A 74 13.991 -2.148 -14.911 1.00 62.25 C ATOM 1249 NZ LYS A 74 13.620 -2.386 -16.327 1.00 0.11 N ATOM 0 H LYS A 74 9.984 0.442 -12.696 1.00 20.35 H new ATOM 0 HA LYS A 74 11.341 2.167 -14.652 1.00 33.54 H new ATOM 0 HB2 LYS A 74 12.748 0.309 -15.109 1.00 31.31 H new ATOM 0 HB3 LYS A 74 12.566 0.387 -13.368 1.00 31.31 H new ATOM 0 HG2 LYS A 74 10.837 -1.467 -13.531 1.00 74.43 H new ATOM 0 HG3 LYS A 74 11.203 -1.595 -15.240 1.00 74.43 H new ATOM 0 HD2 LYS A 74 13.132 -2.101 -12.930 1.00 63.45 H new ATOM 0 HD3 LYS A 74 12.427 -3.313 -13.982 1.00 63.45 H new ATOM 0 HE2 LYS A 74 14.416 -1.149 -14.814 1.00 62.25 H new ATOM 0 HE3 LYS A 74 14.768 -2.855 -14.620 1.00 62.25 H new ATOM 0 HZ1 LYS A 74 14.465 -2.298 -16.927 1.00 0.11 H new ATOM 0 HZ2 LYS A 74 13.224 -3.342 -16.426 1.00 0.11 H new ATOM 0 HZ3 LYS A 74 12.911 -1.685 -16.623 1.00 0.11 H new ATOM 1263 N GLU A 75 8.985 -0.029 -15.426 1.00 42.54 N ATOM 1264 CA GLU A 75 7.992 -0.444 -16.442 1.00 51.32 C ATOM 1265 C GLU A 75 7.024 0.708 -16.722 1.00 34.15 C ATOM 1266 O GLU A 75 6.625 0.948 -17.867 1.00 65.34 O ATOM 1267 CB GLU A 75 7.198 -1.684 -15.947 1.00 5.34 C ATOM 1268 CG GLU A 75 8.051 -2.941 -15.687 1.00 44.23 C ATOM 1269 CD GLU A 75 7.252 -4.067 -15.011 1.00 70.13 C ATOM 1270 OE1 GLU A 75 6.882 -3.915 -13.823 1.00 20.11 O ATOM 1271 OE2 GLU A 75 6.935 -5.078 -15.676 1.00 22.54 O ATOM 0 H GLU A 75 8.839 -0.465 -14.516 1.00 42.54 H new ATOM 0 HA GLU A 75 8.519 -0.706 -17.359 1.00 51.32 H new ATOM 0 HB2 GLU A 75 6.677 -1.420 -15.027 1.00 5.34 H new ATOM 0 HB3 GLU A 75 6.435 -1.927 -16.686 1.00 5.34 H new ATOM 0 HG2 GLU A 75 8.455 -3.304 -16.632 1.00 44.23 H new ATOM 0 HG3 GLU A 75 8.901 -2.675 -15.058 1.00 44.23 H new ATOM 1278 N ARG A 76 6.660 1.417 -15.645 1.00 35.24 N ATOM 1279 CA ARG A 76 5.734 2.555 -15.679 1.00 4.33 C ATOM 1280 C ARG A 76 6.451 3.805 -15.099 1.00 15.42 C ATOM 1281 O ARG A 76 6.264 4.147 -13.924 1.00 34.02 O ATOM 1282 CB ARG A 76 4.443 2.200 -14.877 1.00 20.30 C ATOM 1283 CG ARG A 76 3.725 0.911 -15.356 1.00 33.11 C ATOM 1284 CD ARG A 76 2.573 0.481 -14.434 1.00 1.40 C ATOM 1285 NE ARG A 76 1.486 1.474 -14.389 1.00 61.34 N ATOM 1286 CZ ARG A 76 0.302 1.302 -13.773 1.00 54.31 C ATOM 1287 NH1 ARG A 76 0.009 0.169 -13.126 1.00 53.10 N ATOM 1288 NH2 ARG A 76 -0.600 2.268 -13.823 1.00 12.43 N ATOM 0 H ARG A 76 7.008 1.211 -14.709 1.00 35.24 H new ATOM 0 HA ARG A 76 5.435 2.778 -16.703 1.00 4.33 H new ATOM 0 HB2 ARG A 76 4.703 2.087 -13.825 1.00 20.30 H new ATOM 0 HB3 ARG A 76 3.747 3.036 -14.945 1.00 20.30 H new ATOM 0 HG2 ARG A 76 3.336 1.072 -16.362 1.00 33.11 H new ATOM 0 HG3 ARG A 76 4.451 0.101 -15.421 1.00 33.11 H new ATOM 0 HD2 ARG A 76 2.175 -0.474 -14.777 1.00 1.40 H new ATOM 0 HD3 ARG A 76 2.958 0.322 -13.427 1.00 1.40 H new ATOM 0 HE ARG A 76 1.643 2.363 -14.863 1.00 61.34 H new ATOM 0 HH11 ARG A 76 0.690 -0.589 -13.092 1.00 53.10 H new ATOM 0 HH12 ARG A 76 -0.896 0.063 -12.667 1.00 53.10 H new ATOM 0 HH21 ARG A 76 -0.395 3.132 -14.325 1.00 12.43 H new ATOM 0 HH22 ARG A 76 -1.501 2.149 -13.360 1.00 12.43 H new ATOM 1302 N PRO A 77 7.326 4.498 -15.911 1.00 55.11 N ATOM 1303 CA PRO A 77 8.032 5.728 -15.467 1.00 51.23 C ATOM 1304 C PRO A 77 7.147 6.992 -15.556 1.00 51.51 C ATOM 1305 O PRO A 77 7.634 8.121 -15.385 1.00 70.04 O ATOM 1306 CB PRO A 77 9.242 5.778 -16.429 1.00 22.35 C ATOM 1307 CG PRO A 77 8.717 5.212 -17.714 1.00 2.33 C ATOM 1308 CD PRO A 77 7.721 4.134 -17.310 1.00 45.13 C ATOM 0 HA PRO A 77 8.317 5.704 -14.415 1.00 51.23 H new ATOM 0 HB2 PRO A 77 9.603 6.798 -16.562 1.00 22.35 H new ATOM 0 HB3 PRO A 77 10.078 5.191 -16.048 1.00 22.35 H new ATOM 0 HG2 PRO A 77 8.237 5.984 -18.315 1.00 2.33 H new ATOM 0 HG3 PRO A 77 9.523 4.794 -18.317 1.00 2.33 H new ATOM 0 HD2 PRO A 77 6.858 4.120 -17.976 1.00 45.13 H new ATOM 0 HD3 PRO A 77 8.171 3.142 -17.351 1.00 45.13 H new ATOM 1316 N GLN A 78 5.842 6.786 -15.813 1.00 41.41 N ATOM 1317 CA GLN A 78 4.830 7.855 -15.812 1.00 74.31 C ATOM 1318 C GLN A 78 4.492 8.242 -14.364 1.00 3.22 C ATOM 1319 O GLN A 78 4.448 9.427 -14.013 1.00 23.11 O ATOM 1320 CB GLN A 78 3.534 7.415 -16.570 1.00 21.30 C ATOM 1321 CG GLN A 78 3.727 7.095 -18.073 1.00 5.20 C ATOM 1322 CD GLN A 78 4.464 5.779 -18.339 1.00 73.31 C ATOM 1323 OE1 GLN A 78 4.331 4.815 -17.590 1.00 24.50 O ATOM 1324 NE2 GLN A 78 5.263 5.730 -19.387 1.00 24.14 N ATOM 0 H GLN A 78 5.459 5.866 -16.029 1.00 41.41 H new ATOM 0 HA GLN A 78 5.242 8.718 -16.334 1.00 74.31 H new ATOM 0 HB2 GLN A 78 3.125 6.533 -16.077 1.00 21.30 H new ATOM 0 HB3 GLN A 78 2.791 8.206 -16.476 1.00 21.30 H new ATOM 0 HG2 GLN A 78 2.750 7.056 -18.554 1.00 5.20 H new ATOM 0 HG3 GLN A 78 4.280 7.910 -18.540 1.00 5.20 H new ATOM 0 HE21 GLN A 78 5.357 6.544 -19.995 1.00 24.14 H new ATOM 0 HE22 GLN A 78 5.787 4.878 -19.590 1.00 24.14 H new ATOM 1333 N LEU A 79 4.290 7.221 -13.522 1.00 30.51 N ATOM 1334 CA LEU A 79 3.927 7.397 -12.109 1.00 42.43 C ATOM 1335 C LEU A 79 5.094 6.978 -11.197 1.00 64.52 C ATOM 1336 O LEU A 79 5.795 5.998 -11.476 1.00 34.03 O ATOM 1337 CB LEU A 79 2.594 6.629 -11.794 1.00 2.44 C ATOM 1338 CG LEU A 79 2.444 5.142 -12.307 1.00 44.25 C ATOM 1339 CD1 LEU A 79 3.234 4.114 -11.460 1.00 63.11 C ATOM 1340 CD2 LEU A 79 0.954 4.747 -12.400 1.00 12.20 C ATOM 0 H LEU A 79 4.374 6.244 -13.803 1.00 30.51 H new ATOM 0 HA LEU A 79 3.740 8.452 -11.907 1.00 42.43 H new ATOM 0 HB2 LEU A 79 2.463 6.622 -10.712 1.00 2.44 H new ATOM 0 HB3 LEU A 79 1.770 7.209 -12.211 1.00 2.44 H new ATOM 0 HG LEU A 79 2.886 5.116 -13.303 1.00 44.25 H new ATOM 0 HD11 LEU A 79 3.085 3.115 -11.869 1.00 63.11 H new ATOM 0 HD12 LEU A 79 4.295 4.362 -11.484 1.00 63.11 H new ATOM 0 HD13 LEU A 79 2.878 4.141 -10.430 1.00 63.11 H new ATOM 0 HD21 LEU A 79 0.871 3.720 -12.755 1.00 12.20 H new ATOM 0 HD22 LEU A 79 0.494 4.829 -11.415 1.00 12.20 H new ATOM 0 HD23 LEU A 79 0.444 5.413 -13.095 1.00 12.20 H new ATOM 1352 N GLU A 80 5.335 7.783 -10.155 1.00 11.21 N ATOM 1353 CA GLU A 80 6.296 7.467 -9.081 1.00 70.44 C ATOM 1354 C GLU A 80 5.567 6.656 -7.992 1.00 52.02 C ATOM 1355 O GLU A 80 4.347 6.781 -7.837 1.00 61.42 O ATOM 1356 CB GLU A 80 6.919 8.769 -8.496 1.00 22.13 C ATOM 1357 CG GLU A 80 5.894 9.810 -7.995 1.00 60.32 C ATOM 1358 CD GLU A 80 6.535 11.063 -7.366 1.00 21.44 C ATOM 1359 OE1 GLU A 80 6.809 12.036 -8.099 1.00 2.02 O ATOM 1360 OE2 GLU A 80 6.762 11.083 -6.134 1.00 43.53 O ATOM 0 H GLU A 80 4.867 8.680 -10.029 1.00 11.21 H new ATOM 0 HA GLU A 80 7.117 6.873 -9.483 1.00 70.44 H new ATOM 0 HB2 GLU A 80 7.577 8.501 -7.669 1.00 22.13 H new ATOM 0 HB3 GLU A 80 7.542 9.232 -9.261 1.00 22.13 H new ATOM 0 HG2 GLU A 80 5.264 10.116 -8.830 1.00 60.32 H new ATOM 0 HG3 GLU A 80 5.242 9.339 -7.259 1.00 60.32 H new ATOM 1367 N VAL A 81 6.305 5.815 -7.255 1.00 62.32 N ATOM 1368 CA VAL A 81 5.715 4.897 -6.266 1.00 53.22 C ATOM 1369 C VAL A 81 6.434 5.053 -4.917 1.00 23.40 C ATOM 1370 O VAL A 81 7.647 5.266 -4.877 1.00 64.10 O ATOM 1371 CB VAL A 81 5.801 3.395 -6.735 1.00 4.41 C ATOM 1372 CG1 VAL A 81 4.965 2.477 -5.817 1.00 51.22 C ATOM 1373 CG2 VAL A 81 5.391 3.218 -8.218 1.00 64.23 C ATOM 0 H VAL A 81 7.321 5.750 -7.325 1.00 62.32 H new ATOM 0 HA VAL A 81 4.662 5.157 -6.162 1.00 53.22 H new ATOM 0 HB VAL A 81 6.847 3.098 -6.656 1.00 4.41 H new ATOM 0 HG11 VAL A 81 5.043 1.447 -6.164 1.00 51.22 H new ATOM 0 HG12 VAL A 81 5.340 2.545 -4.796 1.00 51.22 H new ATOM 0 HG13 VAL A 81 3.921 2.790 -5.842 1.00 51.22 H new ATOM 0 HG21 VAL A 81 5.467 2.166 -8.493 1.00 64.23 H new ATOM 0 HG22 VAL A 81 4.364 3.556 -8.354 1.00 64.23 H new ATOM 0 HG23 VAL A 81 6.054 3.808 -8.852 1.00 64.23 H new ATOM 1383 N ARG A 82 5.666 4.941 -3.824 1.00 1.21 N ATOM 1384 CA ARG A 82 6.179 5.002 -2.447 1.00 60.34 C ATOM 1385 C ARG A 82 5.714 3.752 -1.664 1.00 11.15 C ATOM 1386 O ARG A 82 4.533 3.386 -1.728 1.00 63.31 O ATOM 1387 CB ARG A 82 5.658 6.298 -1.776 1.00 35.15 C ATOM 1388 CG ARG A 82 6.023 6.474 -0.286 1.00 33.33 C ATOM 1389 CD ARG A 82 7.539 6.560 -0.029 1.00 73.54 C ATOM 1390 NE ARG A 82 7.833 6.707 1.407 1.00 73.25 N ATOM 1391 CZ ARG A 82 8.293 7.821 2.001 1.00 13.40 C ATOM 1392 NH1 ARG A 82 8.533 8.930 1.296 1.00 44.22 N ATOM 1393 NH2 ARG A 82 8.507 7.822 3.309 1.00 70.31 N ATOM 0 H ARG A 82 4.656 4.804 -3.872 1.00 1.21 H new ATOM 0 HA ARG A 82 7.269 5.017 -2.450 1.00 60.34 H new ATOM 0 HB2 ARG A 82 6.046 7.153 -2.330 1.00 35.15 H new ATOM 0 HB3 ARG A 82 4.572 6.323 -1.871 1.00 35.15 H new ATOM 0 HG2 ARG A 82 5.547 7.379 0.092 1.00 33.33 H new ATOM 0 HG3 ARG A 82 5.614 5.638 0.281 1.00 33.33 H new ATOM 0 HD2 ARG A 82 8.026 5.663 -0.412 1.00 73.54 H new ATOM 0 HD3 ARG A 82 7.955 7.406 -0.576 1.00 73.54 H new ATOM 0 HE ARG A 82 7.674 5.893 2.001 1.00 73.25 H new ATOM 0 HH11 ARG A 82 8.367 8.940 0.290 1.00 44.22 H new ATOM 0 HH12 ARG A 82 8.882 9.766 1.764 1.00 44.22 H new ATOM 0 HH21 ARG A 82 8.323 6.981 3.857 1.00 70.31 H new ATOM 0 HH22 ARG A 82 8.856 8.663 3.768 1.00 70.31 H new ATOM 1407 N LYS A 83 6.662 3.097 -0.967 1.00 21.23 N ATOM 1408 CA LYS A 83 6.376 2.008 -0.013 1.00 23.14 C ATOM 1409 C LYS A 83 6.014 2.612 1.350 1.00 14.10 C ATOM 1410 O LYS A 83 6.652 3.572 1.787 1.00 73.44 O ATOM 1411 CB LYS A 83 7.605 1.084 0.187 1.00 14.01 C ATOM 1412 CG LYS A 83 8.249 0.548 -1.101 1.00 44.43 C ATOM 1413 CD LYS A 83 9.381 -0.468 -0.812 1.00 21.32 C ATOM 1414 CE LYS A 83 10.439 0.065 0.170 1.00 64.01 C ATOM 1415 NZ LYS A 83 11.487 -0.949 0.491 1.00 5.25 N ATOM 0 H LYS A 83 7.656 3.310 -1.051 1.00 21.23 H new ATOM 0 HA LYS A 83 5.553 1.420 -0.420 1.00 23.14 H new ATOM 0 HB2 LYS A 83 8.361 1.632 0.749 1.00 14.01 H new ATOM 0 HB3 LYS A 83 7.303 0.236 0.801 1.00 14.01 H new ATOM 0 HG2 LYS A 83 7.485 0.072 -1.716 1.00 44.43 H new ATOM 0 HG3 LYS A 83 8.650 1.381 -1.678 1.00 44.43 H new ATOM 0 HD2 LYS A 83 8.946 -1.381 -0.406 1.00 21.32 H new ATOM 0 HD3 LYS A 83 9.868 -0.736 -1.750 1.00 21.32 H new ATOM 0 HE2 LYS A 83 10.913 0.949 -0.257 1.00 64.01 H new ATOM 0 HE3 LYS A 83 9.949 0.379 1.091 1.00 64.01 H new ATOM 0 HZ1 LYS A 83 11.905 -0.735 1.419 1.00 5.25 H new ATOM 0 HZ2 LYS A 83 11.058 -1.896 0.515 1.00 5.25 H new ATOM 0 HZ3 LYS A 83 12.229 -0.923 -0.237 1.00 5.25 H new ATOM 1429 N VAL A 84 4.997 2.050 2.002 1.00 32.12 N ATOM 1430 CA VAL A 84 4.572 2.449 3.356 1.00 34.22 C ATOM 1431 C VAL A 84 4.440 1.196 4.242 1.00 2.11 C ATOM 1432 O VAL A 84 3.409 0.536 4.238 1.00 5.12 O ATOM 1433 CB VAL A 84 3.210 3.243 3.277 1.00 41.25 C ATOM 1434 CG1 VAL A 84 2.553 3.426 4.660 1.00 61.01 C ATOM 1435 CG2 VAL A 84 3.401 4.605 2.566 1.00 71.35 C ATOM 0 H VAL A 84 4.435 1.296 1.607 1.00 32.12 H new ATOM 0 HA VAL A 84 5.319 3.106 3.801 1.00 34.22 H new ATOM 0 HB VAL A 84 2.526 2.638 2.682 1.00 41.25 H new ATOM 0 HG11 VAL A 84 1.620 3.978 4.549 1.00 61.01 H new ATOM 0 HG12 VAL A 84 2.347 2.449 5.097 1.00 61.01 H new ATOM 0 HG13 VAL A 84 3.227 3.981 5.313 1.00 61.01 H new ATOM 0 HG21 VAL A 84 2.447 5.131 2.525 1.00 71.35 H new ATOM 0 HG22 VAL A 84 4.123 5.206 3.119 1.00 71.35 H new ATOM 0 HG23 VAL A 84 3.767 4.438 1.553 1.00 71.35 H new ATOM 1445 N THR A 85 5.499 0.856 4.981 1.00 44.41 N ATOM 1446 CA THR A 85 5.529 -0.369 5.813 1.00 25.11 C ATOM 1447 C THR A 85 4.823 -0.164 7.170 1.00 72.34 C ATOM 1448 O THR A 85 4.246 -1.103 7.735 1.00 63.54 O ATOM 1449 CB THR A 85 7.001 -0.845 6.019 1.00 53.34 C ATOM 1450 OG1 THR A 85 7.769 0.217 6.621 1.00 41.14 O ATOM 1451 CG2 THR A 85 7.660 -1.253 4.683 1.00 65.35 C ATOM 0 H THR A 85 6.355 1.409 5.026 1.00 44.41 H new ATOM 0 HA THR A 85 4.978 -1.144 5.281 1.00 25.11 H new ATOM 0 HB THR A 85 6.983 -1.719 6.671 1.00 53.34 H new ATOM 0 HG1 THR A 85 7.551 0.279 7.574 1.00 41.14 H new ATOM 0 HG21 THR A 85 8.684 -1.579 4.867 1.00 65.35 H new ATOM 0 HG22 THR A 85 7.095 -2.069 4.233 1.00 65.35 H new ATOM 0 HG23 THR A 85 7.667 -0.399 4.005 1.00 65.35 H new ATOM 1459 N ASP A 86 4.865 1.076 7.677 1.00 2.31 N ATOM 1460 CA ASP A 86 4.278 1.442 8.983 1.00 22.04 C ATOM 1461 C ASP A 86 3.187 2.509 8.819 1.00 4.12 C ATOM 1462 O ASP A 86 3.148 3.228 7.818 1.00 73.44 O ATOM 1463 CB ASP A 86 5.388 1.953 9.950 1.00 55.22 C ATOM 1464 CG ASP A 86 6.358 0.844 10.406 1.00 42.35 C ATOM 1465 OD1 ASP A 86 7.347 0.570 9.686 1.00 70.32 O ATOM 1466 OD2 ASP A 86 6.140 0.244 11.486 1.00 0.11 O ATOM 0 H ASP A 86 5.307 1.859 7.195 1.00 2.31 H new ATOM 0 HA ASP A 86 3.819 0.550 9.409 1.00 22.04 H new ATOM 0 HB2 ASP A 86 5.955 2.742 9.456 1.00 55.22 H new ATOM 0 HB3 ASP A 86 4.919 2.399 10.827 1.00 55.22 H new ATOM 1471 N GLU A 87 2.308 2.573 9.835 1.00 11.10 N ATOM 1472 CA GLU A 87 1.256 3.596 9.985 1.00 2.13 C ATOM 1473 C GLU A 87 1.822 5.018 9.826 1.00 74.25 C ATOM 1474 O GLU A 87 1.274 5.832 9.074 1.00 31.41 O ATOM 1475 CB GLU A 87 0.610 3.438 11.388 1.00 75.44 C ATOM 1476 CG GLU A 87 -0.450 4.498 11.748 1.00 31.32 C ATOM 1477 CD GLU A 87 -0.942 4.439 13.203 1.00 45.55 C ATOM 1478 OE1 GLU A 87 -1.150 3.326 13.733 1.00 62.40 O ATOM 1479 OE2 GLU A 87 -1.137 5.506 13.822 1.00 42.31 O ATOM 0 H GLU A 87 2.310 1.895 10.597 1.00 11.10 H new ATOM 0 HA GLU A 87 0.511 3.452 9.202 1.00 2.13 H new ATOM 0 HB2 GLU A 87 0.149 2.452 11.449 1.00 75.44 H new ATOM 0 HB3 GLU A 87 1.400 3.468 12.139 1.00 75.44 H new ATOM 0 HG2 GLU A 87 -0.035 5.488 11.558 1.00 31.32 H new ATOM 0 HG3 GLU A 87 -1.306 4.378 11.083 1.00 31.32 H new ATOM 1486 N ASP A 88 2.950 5.286 10.522 1.00 4.43 N ATOM 1487 CA ASP A 88 3.572 6.622 10.540 1.00 65.14 C ATOM 1488 C ASP A 88 4.043 7.041 9.147 1.00 34.45 C ATOM 1489 O ASP A 88 3.967 8.205 8.819 1.00 71.33 O ATOM 1490 CB ASP A 88 4.736 6.720 11.561 1.00 72.44 C ATOM 1491 CG ASP A 88 5.289 8.161 11.695 1.00 51.31 C ATOM 1492 OD1 ASP A 88 4.487 9.085 11.988 1.00 43.34 O ATOM 1493 OD2 ASP A 88 6.518 8.373 11.563 1.00 21.31 O ATOM 0 H ASP A 88 3.446 4.590 11.079 1.00 4.43 H new ATOM 0 HA ASP A 88 2.796 7.316 10.863 1.00 65.14 H new ATOM 0 HB2 ASP A 88 4.390 6.375 12.535 1.00 72.44 H new ATOM 0 HB3 ASP A 88 5.541 6.053 11.254 1.00 72.44 H new ATOM 1498 N GLN A 89 4.452 6.070 8.321 1.00 32.52 N ATOM 1499 CA GLN A 89 4.926 6.337 6.953 1.00 1.13 C ATOM 1500 C GLN A 89 3.769 6.838 6.065 1.00 32.11 C ATOM 1501 O GLN A 89 3.969 7.696 5.202 1.00 12.23 O ATOM 1502 CB GLN A 89 5.579 5.065 6.369 1.00 52.33 C ATOM 1503 CG GLN A 89 6.717 4.482 7.233 1.00 23.41 C ATOM 1504 CD GLN A 89 7.839 5.488 7.540 1.00 0.25 C ATOM 1505 OE1 GLN A 89 7.800 6.211 8.540 1.00 25.35 O ATOM 1506 NE2 GLN A 89 8.856 5.519 6.700 1.00 14.34 N ATOM 0 H GLN A 89 4.465 5.083 8.578 1.00 32.52 H new ATOM 0 HA GLN A 89 5.679 7.125 6.982 1.00 1.13 H new ATOM 0 HB2 GLN A 89 4.810 4.303 6.239 1.00 52.33 H new ATOM 0 HB3 GLN A 89 5.972 5.294 5.378 1.00 52.33 H new ATOM 0 HG2 GLN A 89 6.299 4.120 8.172 1.00 23.41 H new ATOM 0 HG3 GLN A 89 7.144 3.620 6.721 1.00 23.41 H new ATOM 0 HE21 GLN A 89 8.861 4.910 5.882 1.00 14.34 H new ATOM 0 HE22 GLN A 89 9.638 6.152 6.869 1.00 14.34 H new ATOM 1515 N ALA A 90 2.559 6.287 6.307 1.00 35.02 N ATOM 1516 CA ALA A 90 1.314 6.762 5.664 1.00 61.51 C ATOM 1517 C ALA A 90 0.940 8.166 6.156 1.00 65.03 C ATOM 1518 O ALA A 90 0.411 8.973 5.392 1.00 64.24 O ATOM 1519 CB ALA A 90 0.156 5.789 5.910 1.00 51.50 C ATOM 0 H ALA A 90 2.418 5.507 6.948 1.00 35.02 H new ATOM 0 HA ALA A 90 1.499 6.810 4.591 1.00 61.51 H new ATOM 0 HB1 ALA A 90 -0.745 6.165 5.425 1.00 51.50 H new ATOM 0 HB2 ALA A 90 0.408 4.812 5.498 1.00 51.50 H new ATOM 0 HB3 ALA A 90 -0.020 5.697 6.982 1.00 51.50 H new ATOM 1525 N LYS A 91 1.238 8.446 7.436 1.00 11.55 N ATOM 1526 CA LYS A 91 1.018 9.772 8.044 1.00 20.14 C ATOM 1527 C LYS A 91 1.993 10.816 7.464 1.00 73.13 C ATOM 1528 O LYS A 91 1.590 11.939 7.175 1.00 64.34 O ATOM 1529 CB LYS A 91 1.189 9.680 9.582 1.00 43.25 C ATOM 1530 CG LYS A 91 0.126 8.816 10.301 1.00 2.11 C ATOM 1531 CD LYS A 91 0.447 8.530 11.792 1.00 22.35 C ATOM 1532 CE LYS A 91 0.563 9.793 12.679 1.00 40.33 C ATOM 1533 NZ LYS A 91 1.847 10.531 12.486 1.00 1.21 N ATOM 0 H LYS A 91 1.637 7.762 8.078 1.00 11.55 H new ATOM 0 HA LYS A 91 0.002 10.092 7.812 1.00 20.14 H new ATOM 0 HB2 LYS A 91 2.176 9.273 9.800 1.00 43.25 H new ATOM 0 HB3 LYS A 91 1.160 10.687 9.998 1.00 43.25 H new ATOM 0 HG2 LYS A 91 -0.839 9.319 10.238 1.00 2.11 H new ATOM 0 HG3 LYS A 91 0.026 7.868 9.773 1.00 2.11 H new ATOM 0 HD2 LYS A 91 -0.331 7.885 12.201 1.00 22.35 H new ATOM 0 HD3 LYS A 91 1.383 7.975 11.849 1.00 22.35 H new ATOM 0 HE2 LYS A 91 -0.269 10.461 12.459 1.00 40.33 H new ATOM 0 HE3 LYS A 91 0.471 9.504 13.726 1.00 40.33 H new ATOM 0 HZ1 LYS A 91 2.240 10.792 13.413 1.00 1.21 H new ATOM 0 HZ2 LYS A 91 2.524 9.924 11.982 1.00 1.21 H new ATOM 0 HZ3 LYS A 91 1.672 11.392 11.929 1.00 1.21 H new ATOM 1547 N GLN A 92 3.267 10.404 7.266 1.00 1.15 N ATOM 1548 CA GLN A 92 4.332 11.299 6.791 1.00 44.23 C ATOM 1549 C GLN A 92 4.041 11.744 5.357 1.00 52.54 C ATOM 1550 O GLN A 92 4.165 12.923 5.042 1.00 53.11 O ATOM 1551 CB GLN A 92 5.732 10.622 6.856 1.00 61.34 C ATOM 1552 CG GLN A 92 6.241 10.240 8.265 1.00 21.44 C ATOM 1553 CD GLN A 92 6.250 11.404 9.257 1.00 0.43 C ATOM 1554 OE1 GLN A 92 7.226 12.151 9.360 1.00 25.13 O ATOM 1555 NE2 GLN A 92 5.176 11.554 10.017 1.00 22.22 N ATOM 0 H GLN A 92 3.578 9.447 7.432 1.00 1.15 H new ATOM 0 HA GLN A 92 4.350 12.166 7.451 1.00 44.23 H new ATOM 0 HB2 GLN A 92 5.705 9.720 6.245 1.00 61.34 H new ATOM 0 HB3 GLN A 92 6.459 11.294 6.400 1.00 61.34 H new ATOM 0 HG2 GLN A 92 5.615 9.441 8.663 1.00 21.44 H new ATOM 0 HG3 GLN A 92 7.251 9.840 8.180 1.00 21.44 H new ATOM 0 HE21 GLN A 92 4.383 10.921 9.910 1.00 22.22 H new ATOM 0 HE22 GLN A 92 5.142 12.302 10.709 1.00 22.22 H new ATOM 1564 N ILE A 93 3.682 10.771 4.487 1.00 20.41 N ATOM 1565 CA ILE A 93 3.327 11.066 3.085 1.00 64.33 C ATOM 1566 C ILE A 93 2.023 11.895 2.961 1.00 41.42 C ATOM 1567 O ILE A 93 1.881 12.642 2.005 1.00 44.15 O ATOM 1568 CB ILE A 93 3.253 9.795 2.178 1.00 3.15 C ATOM 1569 CG1 ILE A 93 2.095 8.862 2.611 1.00 5.31 C ATOM 1570 CG2 ILE A 93 4.610 9.047 2.170 1.00 52.23 C ATOM 1571 CD1 ILE A 93 1.856 7.699 1.683 1.00 72.35 C ATOM 0 H ILE A 93 3.632 9.782 4.732 1.00 20.41 H new ATOM 0 HA ILE A 93 4.152 11.675 2.716 1.00 64.33 H new ATOM 0 HB ILE A 93 3.044 10.119 1.159 1.00 3.15 H new ATOM 0 HG12 ILE A 93 2.307 8.478 3.609 1.00 5.31 H new ATOM 0 HG13 ILE A 93 1.179 9.448 2.683 1.00 5.31 H new ATOM 0 HG21 ILE A 93 4.536 8.166 1.533 1.00 52.23 H new ATOM 0 HG22 ILE A 93 5.387 9.708 1.787 1.00 52.23 H new ATOM 0 HG23 ILE A 93 4.862 8.740 3.185 1.00 52.23 H new ATOM 0 HD11 ILE A 93 1.029 7.097 2.060 1.00 72.35 H new ATOM 0 HD12 ILE A 93 1.610 8.072 0.689 1.00 72.35 H new ATOM 0 HD13 ILE A 93 2.756 7.086 1.629 1.00 72.35 H new ATOM 1583 N LEU A 94 1.082 11.764 3.927 1.00 63.33 N ATOM 1584 CA LEU A 94 -0.091 12.673 3.996 1.00 22.32 C ATOM 1585 C LEU A 94 0.390 14.134 4.111 1.00 74.42 C ATOM 1586 O LEU A 94 0.024 14.976 3.295 1.00 44.20 O ATOM 1587 CB LEU A 94 -1.034 12.299 5.185 1.00 42.51 C ATOM 1588 CG LEU A 94 -1.983 11.084 4.940 1.00 32.42 C ATOM 1589 CD1 LEU A 94 -2.671 10.647 6.245 1.00 31.14 C ATOM 1590 CD2 LEU A 94 -3.024 11.404 3.841 1.00 54.45 C ATOM 0 H LEU A 94 1.109 11.052 4.657 1.00 63.33 H new ATOM 0 HA LEU A 94 -0.670 12.561 3.079 1.00 22.32 H new ATOM 0 HB2 LEU A 94 -0.419 12.086 6.059 1.00 42.51 H new ATOM 0 HB3 LEU A 94 -1.643 13.169 5.429 1.00 42.51 H new ATOM 0 HG LEU A 94 -1.374 10.250 4.590 1.00 32.42 H new ATOM 0 HD11 LEU A 94 -3.326 9.799 6.045 1.00 31.14 H new ATOM 0 HD12 LEU A 94 -1.915 10.357 6.975 1.00 31.14 H new ATOM 0 HD13 LEU A 94 -3.260 11.475 6.641 1.00 31.14 H new ATOM 0 HD21 LEU A 94 -3.672 10.540 3.691 1.00 54.45 H new ATOM 0 HD22 LEU A 94 -3.625 12.260 4.148 1.00 54.45 H new ATOM 0 HD23 LEU A 94 -2.509 11.638 2.909 1.00 54.45 H new ATOM 1602 N GLU A 95 1.295 14.366 5.081 1.00 70.21 N ATOM 1603 CA GLU A 95 1.940 15.677 5.332 1.00 15.34 C ATOM 1604 C GLU A 95 2.861 16.095 4.154 1.00 53.02 C ATOM 1605 O GLU A 95 3.050 17.277 3.891 1.00 63.34 O ATOM 1606 CB GLU A 95 2.752 15.590 6.659 1.00 40.40 C ATOM 1607 CG GLU A 95 1.912 15.162 7.889 1.00 65.14 C ATOM 1608 CD GLU A 95 2.745 14.870 9.150 1.00 30.23 C ATOM 1609 OE1 GLU A 95 3.254 13.735 9.291 1.00 55.12 O ATOM 1610 OE2 GLU A 95 2.884 15.767 10.017 1.00 74.24 O ATOM 0 H GLU A 95 1.606 13.638 5.725 1.00 70.21 H new ATOM 0 HA GLU A 95 1.167 16.441 5.419 1.00 15.34 H new ATOM 0 HB2 GLU A 95 3.569 14.881 6.526 1.00 40.40 H new ATOM 0 HB3 GLU A 95 3.203 16.562 6.861 1.00 40.40 H new ATOM 0 HG2 GLU A 95 1.193 15.949 8.116 1.00 65.14 H new ATOM 0 HG3 GLU A 95 1.339 14.272 7.631 1.00 65.14 H new ATOM 1617 N ASP A 96 3.370 15.086 3.431 1.00 74.13 N ATOM 1618 CA ASP A 96 4.338 15.263 2.320 1.00 50.31 C ATOM 1619 C ASP A 96 3.622 15.668 1.026 1.00 24.02 C ATOM 1620 O ASP A 96 4.208 16.328 0.170 1.00 23.33 O ATOM 1621 CB ASP A 96 5.148 13.965 2.114 1.00 31.31 C ATOM 1622 CG ASP A 96 6.232 14.038 1.030 1.00 3.14 C ATOM 1623 OD1 ASP A 96 7.064 14.964 1.077 1.00 32.44 O ATOM 1624 OD2 ASP A 96 6.287 13.144 0.154 1.00 60.51 O ATOM 0 H ASP A 96 3.123 14.110 3.597 1.00 74.13 H new ATOM 0 HA ASP A 96 5.025 16.067 2.584 1.00 50.31 H new ATOM 0 HB2 ASP A 96 5.619 13.696 3.059 1.00 31.31 H new ATOM 0 HB3 ASP A 96 4.457 13.161 1.861 1.00 31.31 H new ATOM 1629 N LEU A 97 2.351 15.259 0.900 1.00 70.22 N ATOM 1630 CA LEU A 97 1.479 15.662 -0.217 1.00 0.33 C ATOM 1631 C LEU A 97 0.905 17.069 0.041 1.00 72.14 C ATOM 1632 O LEU A 97 0.365 17.685 -0.878 1.00 2.43 O ATOM 1633 CB LEU A 97 0.341 14.604 -0.449 1.00 70.15 C ATOM 1634 CG LEU A 97 0.661 13.429 -1.448 1.00 15.50 C ATOM 1635 CD1 LEU A 97 1.946 12.673 -1.086 1.00 62.55 C ATOM 1636 CD2 LEU A 97 -0.526 12.452 -1.541 1.00 43.42 C ATOM 0 H LEU A 97 1.897 14.638 1.570 1.00 70.22 H new ATOM 0 HA LEU A 97 2.072 15.702 -1.131 1.00 0.33 H new ATOM 0 HB2 LEU A 97 0.079 14.169 0.515 1.00 70.15 H new ATOM 0 HB3 LEU A 97 -0.543 15.129 -0.813 1.00 70.15 H new ATOM 0 HG LEU A 97 0.825 13.888 -2.423 1.00 15.50 H new ATOM 0 HD11 LEU A 97 2.115 11.875 -1.809 1.00 62.55 H new ATOM 0 HD12 LEU A 97 2.790 13.362 -1.102 1.00 62.55 H new ATOM 0 HD13 LEU A 97 1.847 12.244 -0.089 1.00 62.55 H new ATOM 0 HD21 LEU A 97 -0.283 11.649 -2.236 1.00 43.42 H new ATOM 0 HD22 LEU A 97 -0.728 12.031 -0.556 1.00 43.42 H new ATOM 0 HD23 LEU A 97 -1.408 12.984 -1.896 1.00 43.42 H new ATOM 1648 N LYS A 98 1.005 17.563 1.301 1.00 44.11 N ATOM 1649 CA LYS A 98 0.625 18.953 1.650 1.00 72.32 C ATOM 1650 C LYS A 98 1.826 19.896 1.392 1.00 55.14 C ATOM 1651 O LYS A 98 1.657 21.012 0.880 1.00 2.21 O ATOM 1652 CB LYS A 98 0.147 19.069 3.133 1.00 25.23 C ATOM 1653 CG LYS A 98 -0.823 17.964 3.623 1.00 74.22 C ATOM 1654 CD LYS A 98 -2.035 17.701 2.696 1.00 5.14 C ATOM 1655 CE LYS A 98 -3.022 18.874 2.623 1.00 45.44 C ATOM 1656 NZ LYS A 98 -4.172 18.579 1.719 1.00 11.33 N ATOM 0 H LYS A 98 1.346 17.017 2.092 1.00 44.11 H new ATOM 0 HA LYS A 98 -0.213 19.247 1.018 1.00 72.32 H new ATOM 0 HB2 LYS A 98 1.025 19.066 3.778 1.00 25.23 H new ATOM 0 HB3 LYS A 98 -0.340 20.036 3.262 1.00 25.23 H new ATOM 0 HG2 LYS A 98 -0.264 17.035 3.738 1.00 74.22 H new ATOM 0 HG3 LYS A 98 -1.193 18.238 4.611 1.00 74.22 H new ATOM 0 HD2 LYS A 98 -1.672 17.480 1.692 1.00 5.14 H new ATOM 0 HD3 LYS A 98 -2.563 16.814 3.046 1.00 5.14 H new ATOM 0 HE2 LYS A 98 -3.394 19.098 3.623 1.00 45.44 H new ATOM 0 HE3 LYS A 98 -2.502 19.764 2.270 1.00 45.44 H new ATOM 0 HZ1 LYS A 98 -4.395 19.423 1.155 1.00 11.33 H new ATOM 0 HZ2 LYS A 98 -3.922 17.794 1.084 1.00 11.33 H new ATOM 0 HZ3 LYS A 98 -5.001 18.313 2.288 1.00 11.33 H new