USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1052 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 ASN : amide:sc= 0.927 K(o=2.8,f=1) USER MOD Set 1.2: B 65 ASN : amide:sc= 1.82 K(o=2.8,f=-1.7) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 167:sc=-0.00136 (180deg=-0.185) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00228) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -117:sc= 0.075 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.738 K(o=0.74,f=0) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -172:sc= 0 (180deg=-0.0466) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.16) USER MOD Single : B 9 THR OG1 : rot 100:sc= 0.887 USER MOD Single : B -3 GLY N :NH3+ -134:sc= 0.0426 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 118:sc= 0.0024 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 0.575 2.356 -5.849 1.00 0.00 N ATOM 2 CA GLY A -3 0.168 3.419 -4.904 1.00 0.00 C ATOM 3 C GLY A -3 1.334 4.329 -4.516 1.00 0.00 C ATOM 4 O GLY A -3 2.490 4.017 -4.826 1.00 0.00 O ATOM 0 H1 GLY A -3 0.067 2.477 -6.748 1.00 0.00 H new ATOM 0 H2 GLY A -3 1.599 2.417 -6.019 1.00 0.00 H new ATOM 0 H3 GLY A -3 0.346 1.426 -5.445 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -0.623 4.018 -5.354 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -0.249 2.963 -4.006 1.00 0.00 H new ATOM 10 N PRO A -2 1.068 5.452 -3.819 1.00 0.00 N ATOM 11 CA PRO A -2 2.085 6.437 -3.416 1.00 0.00 C ATOM 12 C PRO A -2 3.017 5.965 -2.285 1.00 0.00 C ATOM 13 O PRO A -2 4.105 6.524 -2.115 1.00 0.00 O ATOM 14 CB PRO A -2 1.279 7.674 -2.988 1.00 0.00 C ATOM 15 CG PRO A -2 -0.031 7.078 -2.466 1.00 0.00 C ATOM 16 CD PRO A -2 -0.260 5.896 -3.406 1.00 0.00 C ATOM 0 HA PRO A -2 2.768 6.628 -4.244 1.00 0.00 H new ATOM 0 HB2 PRO A -2 1.797 8.244 -2.217 1.00 0.00 H new ATOM 0 HB3 PRO A -2 1.107 8.351 -3.824 1.00 0.00 H new ATOM 0 HG2 PRO A -2 0.055 6.759 -1.427 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -0.849 7.796 -2.512 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -0.801 5.095 -2.902 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -0.859 6.192 -4.267 1.00 0.00 H new ATOM 24 N GLY A -1 2.621 4.956 -1.500 1.00 0.00 N ATOM 25 CA GLY A -1 3.381 4.457 -0.344 1.00 0.00 C ATOM 26 C GLY A -1 3.533 5.505 0.770 1.00 0.00 C ATOM 27 O GLY A -1 2.615 6.290 1.034 1.00 0.00 O ATOM 0 H GLY A -1 1.747 4.453 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A -1 2.882 3.576 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A -1 4.370 4.140 -0.675 1.00 0.00 H new ATOM 31 N SER A 0 4.699 5.530 1.419 1.00 0.00 N ATOM 32 CA SER A 0 5.033 6.462 2.515 1.00 0.00 C ATOM 33 C SER A 0 5.248 7.923 2.076 1.00 0.00 C ATOM 34 O SER A 0 5.315 8.804 2.936 1.00 0.00 O ATOM 35 CB SER A 0 6.303 5.983 3.239 1.00 0.00 C ATOM 36 OG SER A 0 6.178 4.625 3.648 1.00 0.00 O ATOM 0 H SER A 0 5.461 4.889 1.197 1.00 0.00 H new ATOM 0 HA SER A 0 4.162 6.455 3.171 1.00 0.00 H new ATOM 0 HB2 SER A 0 7.164 6.090 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 0 6.489 6.613 4.109 1.00 0.00 H new ATOM 0 HG SER A 0 6.999 4.344 4.104 1.00 0.00 H new ATOM 42 N MET A 1 5.386 8.201 0.771 1.00 0.00 N ATOM 43 CA MET A 1 5.733 9.533 0.257 1.00 0.00 C ATOM 44 C MET A 1 4.621 10.582 0.423 1.00 0.00 C ATOM 45 O MET A 1 3.433 10.317 0.225 1.00 0.00 O ATOM 46 CB MET A 1 6.152 9.470 -1.221 1.00 0.00 C ATOM 47 CG MET A 1 7.478 8.743 -1.438 1.00 0.00 C ATOM 48 SD MET A 1 8.157 8.853 -3.122 1.00 0.00 S ATOM 49 CE MET A 1 8.599 10.613 -3.205 1.00 0.00 C ATOM 0 H MET A 1 5.259 7.503 0.038 1.00 0.00 H new ATOM 0 HA MET A 1 6.572 9.857 0.872 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.371 8.968 -1.793 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.232 10.484 -1.613 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.213 9.145 -0.741 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.342 7.691 -1.186 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.231 10.789 -4.075 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.692 11.212 -3.288 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.139 10.896 -2.301 1.00 0.00 H new ATOM 59 N CYS A 2 5.058 11.809 0.694 1.00 0.00 N ATOM 60 CA CYS A 2 4.317 13.063 0.624 1.00 0.00 C ATOM 61 C CYS A 2 5.243 14.176 0.074 1.00 0.00 C ATOM 62 O CYS A 2 6.420 13.941 -0.207 1.00 0.00 O ATOM 63 CB CYS A 2 3.777 13.386 2.028 1.00 0.00 C ATOM 64 SG CYS A 2 2.509 14.687 2.084 1.00 0.00 S ATOM 0 H CYS A 2 6.021 11.963 0.993 1.00 0.00 H new ATOM 0 HA CYS A 2 3.469 12.986 -0.056 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.361 12.475 2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.612 13.686 2.662 1.00 0.00 H new ATOM 69 N MET A 3 4.730 15.401 -0.059 1.00 0.00 N ATOM 70 CA MET A 3 5.477 16.594 -0.485 1.00 0.00 C ATOM 71 C MET A 3 4.886 17.869 0.150 1.00 0.00 C ATOM 72 O MET A 3 3.711 17.892 0.525 1.00 0.00 O ATOM 73 CB MET A 3 5.517 16.659 -2.023 1.00 0.00 C ATOM 74 CG MET A 3 4.131 16.810 -2.668 1.00 0.00 C ATOM 75 SD MET A 3 4.053 16.384 -4.429 1.00 0.00 S ATOM 76 CE MET A 3 5.124 17.662 -5.141 1.00 0.00 C ATOM 0 H MET A 3 3.748 15.600 0.133 1.00 0.00 H new ATOM 0 HA MET A 3 6.506 16.525 -0.131 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.143 17.498 -2.327 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.989 15.754 -2.404 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.425 16.181 -2.126 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.800 17.841 -2.544 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.176 17.532 -6.222 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.716 18.647 -4.913 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.124 17.576 -4.717 1.00 0.00 H new ATOM 86 N ALA A 4 5.692 18.922 0.284 1.00 0.00 N ATOM 87 CA ALA A 4 5.333 20.159 0.985 1.00 0.00 C ATOM 88 C ALA A 4 5.931 21.415 0.323 1.00 0.00 C ATOM 89 O ALA A 4 6.679 21.324 -0.655 1.00 0.00 O ATOM 90 CB ALA A 4 5.795 20.015 2.449 1.00 0.00 C ATOM 0 H ALA A 4 6.636 18.941 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 4 4.253 20.300 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.543 20.920 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.296 19.161 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.874 19.862 2.477 1.00 0.00 H new ATOM 96 N LYS A 5 5.633 22.593 0.885 1.00 0.00 N ATOM 97 CA LYS A 5 6.265 23.876 0.539 1.00 0.00 C ATOM 98 C LYS A 5 6.897 24.550 1.759 1.00 0.00 C ATOM 99 O LYS A 5 6.315 24.567 2.841 1.00 0.00 O ATOM 100 CB LYS A 5 5.287 24.793 -0.219 1.00 0.00 C ATOM 101 CG LYS A 5 4.002 25.125 0.560 1.00 0.00 C ATOM 102 CD LYS A 5 3.086 26.041 -0.265 1.00 0.00 C ATOM 103 CE LYS A 5 1.759 26.335 0.443 1.00 0.00 C ATOM 104 NZ LYS A 5 0.867 25.144 0.490 1.00 0.00 N1+ ATOM 0 H LYS A 5 4.926 22.684 1.614 1.00 0.00 H new ATOM 0 HA LYS A 5 7.089 23.669 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.798 25.723 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.015 24.316 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.474 24.204 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.257 25.611 1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.602 26.980 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.884 25.575 -1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.960 26.676 1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.248 27.149 -0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.024 25.396 0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.666 24.822 -0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.335 24.380 1.019 1.00 0.00 H new ATOM 118 N VAL A 6 8.089 25.109 1.573 1.00 0.00 N ATOM 119 CA VAL A 6 8.828 25.918 2.561 1.00 0.00 C ATOM 120 C VAL A 6 8.474 27.399 2.417 1.00 0.00 C ATOM 121 O VAL A 6 8.319 27.885 1.294 1.00 0.00 O ATOM 122 CB VAL A 6 10.349 25.689 2.401 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.233 26.704 3.141 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.736 24.303 2.925 1.00 0.00 C ATOM 0 H VAL A 6 8.596 25.011 0.693 1.00 0.00 H new ATOM 0 HA VAL A 6 8.538 25.604 3.564 1.00 0.00 H new ATOM 0 HB VAL A 6 10.528 25.800 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.283 26.464 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.025 27.707 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.019 26.662 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.809 24.156 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.474 24.227 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.200 23.539 2.362 1.00 0.00 H new ATOM 134 N VAL A 7 8.415 28.135 3.533 1.00 0.00 N ATOM 135 CA VAL A 7 8.331 29.609 3.589 1.00 0.00 C ATOM 136 C VAL A 7 9.372 30.199 4.552 1.00 0.00 C ATOM 137 O VAL A 7 9.642 29.638 5.619 1.00 0.00 O ATOM 138 CB VAL A 7 6.891 30.086 3.890 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.347 29.610 5.245 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.771 31.612 3.850 1.00 0.00 C ATOM 0 H VAL A 7 8.424 27.709 4.460 1.00 0.00 H new ATOM 0 HA VAL A 7 8.579 29.994 2.600 1.00 0.00 H new ATOM 0 HB VAL A 7 6.294 29.633 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.333 29.985 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.337 28.520 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.984 29.986 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.743 31.902 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.436 32.049 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.048 31.973 2.860 1.00 0.00 H new ATOM 150 N LEU A 8 9.963 31.332 4.163 1.00 0.00 N ATOM 151 CA LEU A 8 10.931 32.123 4.940 1.00 0.00 C ATOM 152 C LEU A 8 10.875 33.615 4.551 1.00 0.00 C ATOM 153 O LEU A 8 10.390 33.965 3.470 1.00 0.00 O ATOM 154 CB LEU A 8 12.346 31.521 4.754 1.00 0.00 C ATOM 155 CG LEU A 8 12.960 31.687 3.345 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.882 32.907 3.251 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.802 30.467 2.965 1.00 0.00 C ATOM 0 H LEU A 8 9.772 31.747 3.251 1.00 0.00 H new ATOM 0 HA LEU A 8 10.673 32.075 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.016 31.982 5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.303 30.458 4.990 1.00 0.00 H new ATOM 0 HG LEU A 8 12.113 31.809 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.288 32.979 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.316 33.810 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.699 32.801 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.222 30.610 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.611 30.344 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.174 29.576 2.969 1.00 0.00 H new ATOM 169 N THR A 9 11.423 34.485 5.401 1.00 0.00 N ATOM 170 CA THR A 9 11.561 35.932 5.132 1.00 0.00 C ATOM 171 C THR A 9 12.932 36.433 5.586 1.00 0.00 C ATOM 172 O THR A 9 13.354 36.169 6.713 1.00 0.00 O ATOM 173 CB THR A 9 10.424 36.734 5.790 1.00 0.00 C ATOM 174 OG1 THR A 9 9.165 36.272 5.342 1.00 0.00 O ATOM 175 CG2 THR A 9 10.467 38.228 5.463 1.00 0.00 C ATOM 0 H THR A 9 11.791 34.208 6.311 1.00 0.00 H new ATOM 0 HA THR A 9 11.484 36.086 4.056 1.00 0.00 H new ATOM 0 HB THR A 9 10.562 36.590 6.862 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.454 36.792 5.772 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.638 38.733 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.410 38.650 5.812 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.384 38.367 4.385 1.00 0.00 H new ATOM 183 N LYS A 10 13.636 37.165 4.714 1.00 0.00 N ATOM 184 CA LYS A 10 14.970 37.756 4.956 1.00 0.00 C ATOM 185 C LYS A 10 14.938 38.882 5.995 1.00 0.00 C ATOM 186 O LYS A 10 13.896 39.502 6.223 1.00 0.00 O ATOM 187 CB LYS A 10 15.538 38.296 3.628 1.00 0.00 C ATOM 188 CG LYS A 10 15.734 37.214 2.559 1.00 0.00 C ATOM 189 CD LYS A 10 16.238 37.843 1.253 1.00 0.00 C ATOM 190 CE LYS A 10 16.168 36.808 0.129 1.00 0.00 C ATOM 191 NZ LYS A 10 16.734 37.337 -1.142 1.00 0.00 N1+ ATOM 0 H LYS A 10 13.283 37.374 3.780 1.00 0.00 H new ATOM 0 HA LYS A 10 15.608 36.967 5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.866 39.061 3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.495 38.781 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.448 36.470 2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.793 36.694 2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.633 38.713 0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.263 38.192 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.713 35.912 0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.131 36.512 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.669 36.608 -1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.198 38.178 -1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.731 37.596 -0.997 1.00 0.00 H new ATOM 205 N ALA A 11 16.105 39.233 6.542 1.00 0.00 N ATOM 206 CA ALA A 11 16.278 40.414 7.402 1.00 0.00 C ATOM 207 C ALA A 11 15.960 41.740 6.668 1.00 0.00 C ATOM 208 O ALA A 11 15.543 42.718 7.295 1.00 0.00 O ATOM 209 CB ALA A 11 17.721 40.410 7.921 1.00 0.00 C ATOM 0 H ALA A 11 16.965 38.703 6.401 1.00 0.00 H new ATOM 0 HA ALA A 11 15.569 40.356 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.879 41.276 8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.900 39.498 8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.411 40.452 7.078 1.00 0.00 H new ATOM 215 N ASP A 12 16.097 41.764 5.339 1.00 0.00 N ATOM 216 CA ASP A 12 15.709 42.871 4.453 1.00 0.00 C ATOM 217 C ASP A 12 14.189 42.955 4.174 1.00 0.00 C ATOM 218 O ASP A 12 13.734 43.870 3.481 1.00 0.00 O ATOM 219 CB ASP A 12 16.491 42.715 3.134 1.00 0.00 C ATOM 220 CG ASP A 12 18.026 42.802 3.270 1.00 0.00 C ATOM 221 OD1 ASP A 12 18.544 43.411 4.239 1.00 0.00 O ATOM 222 OD2 ASP A 12 18.728 42.275 2.375 1.00 0.00 O1- ATOM 0 H ASP A 12 16.499 40.979 4.827 1.00 0.00 H new ATOM 0 HA ASP A 12 15.955 43.805 4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.235 41.753 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.159 43.486 2.439 1.00 0.00 H new ATOM 227 N GLY A 13 13.393 42.019 4.703 1.00 0.00 N ATOM 228 CA GLY A 13 11.940 41.927 4.503 1.00 0.00 C ATOM 229 C GLY A 13 11.520 41.168 3.233 1.00 0.00 C ATOM 230 O GLY A 13 10.335 41.151 2.897 1.00 0.00 O ATOM 0 H GLY A 13 13.754 41.278 5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.497 41.435 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.527 42.935 4.463 1.00 0.00 H new ATOM 234 N GLY A 14 12.466 40.537 2.522 1.00 0.00 N ATOM 235 CA GLY A 14 12.189 39.752 1.318 1.00 0.00 C ATOM 236 C GLY A 14 11.596 38.384 1.653 1.00 0.00 C ATOM 237 O GLY A 14 12.309 37.510 2.148 1.00 0.00 O ATOM 0 H GLY A 14 13.454 40.560 2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.498 40.300 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.111 39.619 0.751 1.00 0.00 H new ATOM 241 N ARG A 15 10.299 38.185 1.392 1.00 0.00 N ATOM 242 CA ARG A 15 9.602 36.893 1.554 1.00 0.00 C ATOM 243 C ARG A 15 9.896 35.940 0.384 1.00 0.00 C ATOM 244 O ARG A 15 9.926 36.363 -0.774 1.00 0.00 O ATOM 245 CB ARG A 15 8.102 37.148 1.755 1.00 0.00 C ATOM 246 CG ARG A 15 7.305 35.854 1.955 1.00 0.00 C ATOM 247 CD ARG A 15 5.853 36.150 2.336 1.00 0.00 C ATOM 248 NE ARG A 15 5.038 34.927 2.255 1.00 0.00 N ATOM 249 CZ ARG A 15 3.890 34.667 2.841 1.00 0.00 C ATOM 250 NH1 ARG A 15 3.283 35.501 3.637 1.00 0.00 N1+ ATOM 251 NH2 ARG A 15 3.330 33.518 2.597 1.00 0.00 N ATOM 0 H ARG A 15 9.688 38.929 1.055 1.00 0.00 H new ATOM 0 HA ARG A 15 9.979 36.387 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.960 37.795 2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.709 37.682 0.890 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.330 35.264 1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.773 35.253 2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.812 36.555 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.444 36.911 1.671 1.00 0.00 H new ATOM 0 HE ARG A 15 5.413 34.183 1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.698 36.412 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.393 35.243 4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.782 32.854 1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.439 33.282 3.034 1.00 0.00 H new ATOM 265 N VAL A 16 10.119 34.660 0.692 1.00 0.00 N ATOM 266 CA VAL A 16 10.537 33.599 -0.246 1.00 0.00 C ATOM 267 C VAL A 16 9.790 32.296 0.056 1.00 0.00 C ATOM 268 O VAL A 16 9.566 31.945 1.218 1.00 0.00 O ATOM 269 CB VAL A 16 12.071 33.395 -0.184 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.576 32.218 -1.030 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.843 34.643 -0.635 1.00 0.00 C ATOM 0 H VAL A 16 10.010 34.312 1.645 1.00 0.00 H new ATOM 0 HA VAL A 16 10.281 33.906 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 16 12.260 33.183 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.659 32.140 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.113 31.295 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.315 32.383 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.914 34.450 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.576 34.884 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.588 35.482 0.012 1.00 0.00 H new ATOM 281 N GLU A 17 9.449 31.540 -0.990 1.00 0.00 N ATOM 282 CA GLU A 17 8.880 30.188 -0.910 1.00 0.00 C ATOM 283 C GLU A 17 9.551 29.213 -1.890 1.00 0.00 C ATOM 284 O GLU A 17 10.008 29.606 -2.967 1.00 0.00 O ATOM 285 CB GLU A 17 7.359 30.202 -1.148 1.00 0.00 C ATOM 286 CG GLU A 17 6.523 30.714 0.039 1.00 0.00 C ATOM 287 CD GLU A 17 6.105 32.194 -0.025 1.00 0.00 C ATOM 288 OE1 GLU A 17 5.185 32.565 0.745 1.00 0.00 O ATOM 289 OE2 GLU A 17 6.650 33.005 -0.809 1.00 0.00 O1- ATOM 0 H GLU A 17 9.565 31.862 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 17 9.076 29.835 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.148 30.824 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.035 29.191 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.622 30.105 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.092 30.556 0.955 1.00 0.00 H new ATOM 296 N ILE A 18 9.572 27.925 -1.525 1.00 0.00 N ATOM 297 CA ILE A 18 10.070 26.803 -2.342 1.00 0.00 C ATOM 298 C ILE A 18 9.011 25.694 -2.329 1.00 0.00 C ATOM 299 O ILE A 18 8.643 25.203 -1.258 1.00 0.00 O ATOM 300 CB ILE A 18 11.437 26.284 -1.827 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.516 27.387 -1.825 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.915 25.084 -2.675 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.692 27.064 -0.898 1.00 0.00 C ATOM 0 H ILE A 18 9.229 27.620 -0.614 1.00 0.00 H new ATOM 0 HA ILE A 18 10.237 27.142 -3.364 1.00 0.00 H new ATOM 0 HB ILE A 18 11.288 25.964 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.887 27.528 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.065 28.330 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.876 24.733 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.184 24.278 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.023 25.393 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.420 27.875 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.330 26.951 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.165 26.136 -1.220 1.00 0.00 H new ATOM 315 N GLY A 19 8.513 25.305 -3.504 1.00 0.00 N ATOM 316 CA GLY A 19 7.499 24.253 -3.667 1.00 0.00 C ATOM 317 C GLY A 19 8.083 22.855 -3.912 1.00 0.00 C ATOM 318 O GLY A 19 9.279 22.694 -4.164 1.00 0.00 O ATOM 0 H GLY A 19 8.807 25.719 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.875 24.223 -2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.849 24.515 -4.502 1.00 0.00 H new ATOM 322 N ASP A 20 7.213 21.842 -3.882 1.00 0.00 N ATOM 323 CA ASP A 20 7.504 20.443 -4.250 1.00 0.00 C ATOM 324 C ASP A 20 8.670 19.809 -3.460 1.00 0.00 C ATOM 325 O ASP A 20 9.461 19.030 -3.996 1.00 0.00 O ATOM 326 CB ASP A 20 7.643 20.303 -5.785 1.00 0.00 C ATOM 327 CG ASP A 20 6.522 20.975 -6.598 1.00 0.00 C ATOM 328 OD1 ASP A 20 6.799 21.438 -7.733 1.00 0.00 O ATOM 329 OD2 ASP A 20 5.357 21.026 -6.132 1.00 0.00 O1- ATOM 0 H ASP A 20 6.245 21.974 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 20 6.643 19.849 -3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.599 20.729 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.671 19.243 -6.038 1.00 0.00 H new ATOM 334 N VAL A 21 8.805 20.168 -2.180 1.00 0.00 N ATOM 335 CA VAL A 21 9.910 19.763 -1.289 1.00 0.00 C ATOM 336 C VAL A 21 9.785 18.292 -0.868 1.00 0.00 C ATOM 337 O VAL A 21 8.727 17.866 -0.401 1.00 0.00 O ATOM 338 CB VAL A 21 9.977 20.704 -0.066 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.089 20.320 0.918 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.230 22.149 -0.517 1.00 0.00 C ATOM 0 H VAL A 21 8.127 20.770 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 21 10.847 19.852 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 21 9.015 20.611 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.089 21.016 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.916 19.308 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.053 20.363 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.275 22.800 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.175 22.201 -1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.420 22.473 -1.170 1.00 0.00 H new ATOM 350 N LEU A 22 10.881 17.529 -0.998 1.00 0.00 N ATOM 351 CA LEU A 22 11.030 16.166 -0.459 1.00 0.00 C ATOM 352 C LEU A 22 11.577 16.166 0.972 1.00 0.00 C ATOM 353 O LEU A 22 11.127 15.372 1.794 1.00 0.00 O ATOM 354 CB LEU A 22 11.988 15.343 -1.337 1.00 0.00 C ATOM 355 CG LEU A 22 11.512 15.059 -2.771 1.00 0.00 C ATOM 356 CD1 LEU A 22 12.560 14.187 -3.474 1.00 0.00 C ATOM 357 CD2 LEU A 22 10.167 14.331 -2.838 1.00 0.00 C ATOM 0 H LEU A 22 11.712 17.851 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 22 10.034 15.724 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.942 15.867 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.175 14.390 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 22 11.383 16.027 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.235 13.978 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.514 14.713 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.677 13.249 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.895 14.165 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.246 13.372 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.401 14.937 -2.355 1.00 0.00 H new ATOM 369 N GLU A 23 12.539 17.042 1.281 1.00 0.00 N ATOM 370 CA GLU A 23 13.103 17.189 2.628 1.00 0.00 C ATOM 371 C GLU A 23 13.758 18.559 2.882 1.00 0.00 C ATOM 372 O GLU A 23 14.143 19.281 1.954 1.00 0.00 O ATOM 373 CB GLU A 23 14.091 16.049 2.959 1.00 0.00 C ATOM 374 CG GLU A 23 15.393 16.065 2.147 1.00 0.00 C ATOM 375 CD GLU A 23 16.466 15.170 2.786 1.00 0.00 C ATOM 376 OE1 GLU A 23 16.781 15.332 3.990 1.00 0.00 O ATOM 377 OE2 GLU A 23 17.035 14.295 2.092 1.00 0.00 O1- ATOM 0 H GLU A 23 12.952 17.675 0.597 1.00 0.00 H new ATOM 0 HA GLU A 23 12.250 17.124 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.340 16.101 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.590 15.095 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.193 15.726 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.766 17.087 2.075 1.00 0.00 H new ATOM 384 N VAL A 24 13.924 18.872 4.171 1.00 0.00 N ATOM 385 CA VAL A 24 14.599 20.053 4.719 1.00 0.00 C ATOM 386 C VAL A 24 15.540 19.615 5.843 1.00 0.00 C ATOM 387 O VAL A 24 15.178 18.761 6.657 1.00 0.00 O ATOM 388 CB VAL A 24 13.593 21.099 5.240 1.00 0.00 C ATOM 389 CG1 VAL A 24 14.273 22.396 5.698 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.561 21.467 4.172 1.00 0.00 C ATOM 0 H VAL A 24 13.566 18.266 4.909 1.00 0.00 H new ATOM 0 HA VAL A 24 15.169 20.526 3.919 1.00 0.00 H new ATOM 0 HB VAL A 24 13.106 20.627 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.518 23.096 6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.973 22.175 6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.812 22.839 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.869 22.206 4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.070 21.882 3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.008 20.575 3.877 1.00 0.00 H new ATOM 400 N ARG A 25 16.737 20.203 5.906 1.00 0.00 N ATOM 401 CA ARG A 25 17.797 19.901 6.891 1.00 0.00 C ATOM 402 C ARG A 25 18.282 21.172 7.589 1.00 0.00 C ATOM 403 O ARG A 25 18.362 22.219 6.945 1.00 0.00 O ATOM 404 CB ARG A 25 18.992 19.219 6.204 1.00 0.00 C ATOM 405 CG ARG A 25 18.610 18.020 5.330 1.00 0.00 C ATOM 406 CD ARG A 25 19.854 17.245 4.889 1.00 0.00 C ATOM 407 NE ARG A 25 19.480 16.089 4.056 1.00 0.00 N ATOM 408 CZ ARG A 25 20.283 15.299 3.369 1.00 0.00 C ATOM 409 NH1 ARG A 25 21.581 15.421 3.406 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 19.793 14.355 2.620 1.00 0.00 N ATOM 0 H ARG A 25 17.013 20.933 5.249 1.00 0.00 H new ATOM 0 HA ARG A 25 17.369 19.230 7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.511 19.953 5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.696 18.889 6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 25 17.943 17.359 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 25 18.062 18.364 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.519 17.903 4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.406 16.905 5.765 1.00 0.00 H new ATOM 0 HE ARG A 25 18.484 15.874 4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 25 22.009 16.147 3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 25 22.168 14.790 2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.783 14.223 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.418 13.747 2.091 1.00 0.00 H new ATOM 424 N ALA A 26 18.676 21.062 8.851 1.00 0.00 N ATOM 425 CA ALA A 26 19.365 22.106 9.613 1.00 0.00 C ATOM 426 C ALA A 26 20.773 21.633 10.034 1.00 0.00 C ATOM 427 O ALA A 26 20.933 20.660 10.777 1.00 0.00 O ATOM 428 CB ALA A 26 18.495 22.511 10.812 1.00 0.00 C ATOM 0 H ALA A 26 18.521 20.214 9.396 1.00 0.00 H new ATOM 0 HA ALA A 26 19.511 22.989 8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 26 19.002 23.288 11.384 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.537 22.890 10.455 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.327 21.643 11.449 1.00 0.00 H new ATOM 434 N GLU A 27 21.797 22.329 9.538 1.00 0.00 N ATOM 435 CA GLU A 27 23.210 22.169 9.902 1.00 0.00 C ATOM 436 C GLU A 27 23.579 23.077 11.101 1.00 0.00 C ATOM 437 O GLU A 27 22.719 23.756 11.670 1.00 0.00 O ATOM 438 CB GLU A 27 24.092 22.455 8.666 1.00 0.00 C ATOM 439 CG GLU A 27 23.754 21.558 7.458 1.00 0.00 C ATOM 440 CD GLU A 27 24.812 21.597 6.329 1.00 0.00 C ATOM 441 OE1 GLU A 27 25.663 22.519 6.286 1.00 0.00 O ATOM 442 OE2 GLU A 27 24.791 20.692 5.459 1.00 0.00 O1- ATOM 0 H GLU A 27 21.659 23.056 8.836 1.00 0.00 H new ATOM 0 HA GLU A 27 23.389 21.142 10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.975 23.500 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 27 25.139 22.313 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 27 23.643 20.530 7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 27 22.791 21.864 7.050 1.00 0.00 H new ATOM 449 N GLY A 28 24.860 23.122 11.489 1.00 0.00 N ATOM 450 CA GLY A 28 25.357 23.919 12.627 1.00 0.00 C ATOM 451 C GLY A 28 25.255 25.448 12.488 1.00 0.00 C ATOM 452 O GLY A 28 25.472 26.161 13.471 1.00 0.00 O ATOM 0 H GLY A 28 25.596 22.598 11.015 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.807 23.620 13.520 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.402 23.660 12.795 1.00 0.00 H new ATOM 456 N GLY A 29 24.916 25.966 11.298 1.00 0.00 N ATOM 457 CA GLY A 29 24.759 27.405 11.036 1.00 0.00 C ATOM 458 C GLY A 29 23.925 27.788 9.801 1.00 0.00 C ATOM 459 O GLY A 29 23.960 28.947 9.384 1.00 0.00 O ATOM 0 H GLY A 29 24.740 25.387 10.477 1.00 0.00 H new ATOM 0 HA2 GLY A 29 24.302 27.864 11.913 1.00 0.00 H new ATOM 0 HA3 GLY A 29 25.751 27.843 10.927 1.00 0.00 H new ATOM 463 N ALA A 30 23.197 26.847 9.198 1.00 0.00 N ATOM 464 CA ALA A 30 22.407 27.039 7.976 1.00 0.00 C ATOM 465 C ALA A 30 21.300 25.974 7.831 1.00 0.00 C ATOM 466 O ALA A 30 21.400 24.898 8.424 1.00 0.00 O ATOM 467 CB ALA A 30 23.362 26.974 6.766 1.00 0.00 C ATOM 0 H ALA A 30 23.138 25.895 9.559 1.00 0.00 H new ATOM 0 HA ALA A 30 21.913 28.009 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.794 27.115 5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 30 24.113 27.759 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.855 26.002 6.743 1.00 0.00 H new ATOM 473 N VAL A 31 20.296 26.236 6.988 1.00 0.00 N ATOM 474 CA VAL A 31 19.365 25.199 6.487 1.00 0.00 C ATOM 475 C VAL A 31 19.569 24.905 5.002 1.00 0.00 C ATOM 476 O VAL A 31 20.093 25.737 4.255 1.00 0.00 O ATOM 477 CB VAL A 31 17.878 25.493 6.768 1.00 0.00 C ATOM 478 CG1 VAL A 31 17.613 25.715 8.253 1.00 0.00 C ATOM 479 CG2 VAL A 31 17.355 26.682 5.961 1.00 0.00 C ATOM 0 H VAL A 31 20.099 27.170 6.629 1.00 0.00 H new ATOM 0 HA VAL A 31 19.623 24.310 7.062 1.00 0.00 H new ATOM 0 HB VAL A 31 17.334 24.605 6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.553 25.919 8.407 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.895 24.822 8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.201 26.563 8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.303 26.847 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.928 27.574 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.461 26.474 4.896 1.00 0.00 H new ATOM 489 N ARG A 32 19.114 23.722 4.576 1.00 0.00 N ATOM 490 CA ARG A 32 19.116 23.232 3.187 1.00 0.00 C ATOM 491 C ARG A 32 17.753 22.620 2.840 1.00 0.00 C ATOM 492 O ARG A 32 17.164 21.924 3.667 1.00 0.00 O ATOM 493 CB ARG A 32 20.251 22.206 2.996 1.00 0.00 C ATOM 494 CG ARG A 32 21.651 22.836 3.118 1.00 0.00 C ATOM 495 CD ARG A 32 22.746 21.777 3.270 1.00 0.00 C ATOM 496 NE ARG A 32 22.914 20.941 2.071 1.00 0.00 N ATOM 497 CZ ARG A 32 23.761 19.936 1.935 1.00 0.00 C ATOM 498 NH1 ARG A 32 24.561 19.543 2.885 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 23.790 19.300 0.803 1.00 0.00 N ATOM 0 H ARG A 32 18.713 23.042 5.222 1.00 0.00 H new ATOM 0 HA ARG A 32 19.292 24.068 2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.148 21.414 3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.152 21.739 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.854 23.443 2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.673 23.506 3.977 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.691 22.271 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.509 21.138 4.120 1.00 0.00 H new ATOM 0 HE ARG A 32 22.321 21.158 1.270 1.00 0.00 H new ATOM 0 HH11 ARG A 32 24.553 20.018 3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.196 18.760 2.726 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.168 19.580 0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.435 18.521 0.672 1.00 0.00 H new ATOM 513 N VAL A 33 17.264 22.871 1.625 1.00 0.00 N ATOM 514 CA VAL A 33 15.959 22.429 1.083 1.00 0.00 C ATOM 515 C VAL A 33 16.162 21.686 -0.242 1.00 0.00 C ATOM 516 O VAL A 33 16.896 22.178 -1.105 1.00 0.00 O ATOM 517 CB VAL A 33 15.024 23.642 0.867 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.652 23.232 0.318 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.785 24.442 2.155 1.00 0.00 C ATOM 0 H VAL A 33 17.792 23.420 0.946 1.00 0.00 H new ATOM 0 HA VAL A 33 15.497 21.754 1.803 1.00 0.00 H new ATOM 0 HB VAL A 33 15.546 24.263 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.034 24.120 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.779 22.730 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.167 22.554 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.122 25.281 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.327 23.797 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.736 24.817 2.532 1.00 0.00 H new ATOM 529 N THR A 34 15.502 20.536 -0.438 1.00 0.00 N ATOM 530 CA THR A 34 15.620 19.690 -1.644 1.00 0.00 C ATOM 531 C THR A 34 14.253 19.347 -2.255 1.00 0.00 C ATOM 532 O THR A 34 13.354 18.892 -1.542 1.00 0.00 O ATOM 533 CB THR A 34 16.393 18.397 -1.332 1.00 0.00 C ATOM 534 OG1 THR A 34 17.702 18.703 -0.887 1.00 0.00 O ATOM 535 CG2 THR A 34 16.560 17.482 -2.550 1.00 0.00 C ATOM 0 H THR A 34 14.854 20.155 0.252 1.00 0.00 H new ATOM 0 HA THR A 34 16.174 20.272 -2.380 1.00 0.00 H new ATOM 0 HB THR A 34 15.802 17.886 -0.572 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.183 17.872 -0.690 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.114 16.589 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.578 17.195 -2.926 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.107 18.011 -3.330 1.00 0.00 H new ATOM 543 N THR A 35 14.092 19.535 -3.571 1.00 0.00 N ATOM 544 CA THR A 35 12.816 19.334 -4.298 1.00 0.00 C ATOM 545 C THR A 35 12.695 17.978 -5.007 1.00 0.00 C ATOM 546 O THR A 35 13.682 17.267 -5.229 1.00 0.00 O ATOM 547 CB THR A 35 12.537 20.464 -5.311 1.00 0.00 C ATOM 548 OG1 THR A 35 13.347 20.314 -6.457 1.00 0.00 O ATOM 549 CG2 THR A 35 12.754 21.868 -4.741 1.00 0.00 C ATOM 0 H THR A 35 14.854 19.837 -4.178 1.00 0.00 H new ATOM 0 HA THR A 35 12.062 19.353 -3.511 1.00 0.00 H new ATOM 0 HB THR A 35 11.481 20.371 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.156 21.038 -7.090 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.539 22.610 -5.510 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.089 22.023 -3.891 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.789 21.973 -4.415 1.00 0.00 H new ATOM 557 N LEU A 36 11.464 17.653 -5.426 1.00 0.00 N ATOM 558 CA LEU A 36 11.085 16.489 -6.243 1.00 0.00 C ATOM 559 C LEU A 36 11.838 16.415 -7.582 1.00 0.00 C ATOM 560 O LEU A 36 12.088 15.320 -8.096 1.00 0.00 O ATOM 561 CB LEU A 36 9.560 16.581 -6.448 1.00 0.00 C ATOM 562 CG LEU A 36 8.918 15.536 -7.381 1.00 0.00 C ATOM 563 CD1 LEU A 36 9.103 14.105 -6.881 1.00 0.00 C ATOM 564 CD2 LEU A 36 7.416 15.803 -7.483 1.00 0.00 C ATOM 0 H LEU A 36 10.657 18.230 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 36 11.363 15.569 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.081 16.504 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.329 17.572 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 36 9.414 15.630 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.631 13.412 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.167 13.879 -6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.644 14.001 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.959 15.065 -8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.966 15.733 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.251 16.802 -7.887 1.00 0.00 H new ATOM 576 N PHE A 37 12.237 17.571 -8.128 1.00 0.00 N ATOM 577 CA PHE A 37 12.964 17.708 -9.396 1.00 0.00 C ATOM 578 C PHE A 37 14.477 17.934 -9.204 1.00 0.00 C ATOM 579 O PHE A 37 15.171 18.381 -10.121 1.00 0.00 O ATOM 580 CB PHE A 37 12.256 18.775 -10.248 1.00 0.00 C ATOM 581 CG PHE A 37 10.780 18.463 -10.437 1.00 0.00 C ATOM 582 CD1 PHE A 37 9.802 19.147 -9.691 1.00 0.00 C ATOM 583 CD2 PHE A 37 10.393 17.401 -11.281 1.00 0.00 C ATOM 584 CE1 PHE A 37 8.453 18.767 -9.782 1.00 0.00 C ATOM 585 CE2 PHE A 37 9.045 17.016 -11.361 1.00 0.00 C ATOM 586 CZ PHE A 37 8.074 17.693 -10.608 1.00 0.00 C ATOM 0 H PHE A 37 12.055 18.470 -7.682 1.00 0.00 H new ATOM 0 HA PHE A 37 12.931 16.766 -9.944 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.363 19.749 -9.771 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.740 18.842 -11.222 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.089 19.965 -9.048 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.136 16.882 -11.868 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.704 19.301 -9.216 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.755 16.197 -12.003 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.039 17.391 -10.662 1.00 0.00 H new ATOM 596 N ASP A 38 14.992 17.609 -8.012 1.00 0.00 N ATOM 597 CA ASP A 38 16.407 17.656 -7.629 1.00 0.00 C ATOM 598 C ASP A 38 17.050 19.059 -7.721 1.00 0.00 C ATOM 599 O ASP A 38 18.249 19.201 -7.970 1.00 0.00 O ATOM 600 CB ASP A 38 17.192 16.543 -8.343 1.00 0.00 C ATOM 601 CG ASP A 38 18.557 16.224 -7.708 1.00 0.00 C ATOM 602 OD1 ASP A 38 19.438 15.693 -8.431 1.00 0.00 O ATOM 603 OD2 ASP A 38 18.753 16.420 -6.484 1.00 0.00 O1- ATOM 0 H ASP A 38 14.399 17.288 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 38 16.459 17.449 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.587 15.636 -8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.347 16.833 -9.382 1.00 0.00 H new ATOM 608 N GLU A 39 16.258 20.114 -7.511 1.00 0.00 N ATOM 609 CA GLU A 39 16.784 21.440 -7.163 1.00 0.00 C ATOM 610 C GLU A 39 17.184 21.471 -5.677 1.00 0.00 C ATOM 611 O GLU A 39 16.543 20.827 -4.840 1.00 0.00 O ATOM 612 CB GLU A 39 15.767 22.559 -7.464 1.00 0.00 C ATOM 613 CG GLU A 39 15.285 22.618 -8.924 1.00 0.00 C ATOM 614 CD GLU A 39 16.408 22.831 -9.959 1.00 0.00 C ATOM 615 OE1 GLU A 39 17.440 23.480 -9.645 1.00 0.00 O ATOM 616 OE2 GLU A 39 16.261 22.386 -11.122 1.00 0.00 O1- ATOM 0 H GLU A 39 15.241 20.076 -7.576 1.00 0.00 H new ATOM 0 HA GLU A 39 17.663 21.622 -7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.901 22.427 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.216 23.518 -7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.763 21.691 -9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.560 23.426 -9.022 1.00 0.00 H new ATOM 623 N GLU A 40 18.217 22.240 -5.338 1.00 0.00 N ATOM 624 CA GLU A 40 18.679 22.449 -3.959 1.00 0.00 C ATOM 625 C GLU A 40 18.868 23.946 -3.661 1.00 0.00 C ATOM 626 O GLU A 40 19.404 24.700 -4.483 1.00 0.00 O ATOM 627 CB GLU A 40 19.962 21.645 -3.675 1.00 0.00 C ATOM 628 CG GLU A 40 20.462 21.816 -2.232 1.00 0.00 C ATOM 629 CD GLU A 40 21.639 20.891 -1.864 1.00 0.00 C ATOM 630 OE1 GLU A 40 21.904 20.727 -0.647 1.00 0.00 O ATOM 631 OE2 GLU A 40 22.336 20.357 -2.761 1.00 0.00 O1- ATOM 0 H GLU A 40 18.771 22.748 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 40 17.908 22.077 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 40 19.774 20.589 -3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 40 20.744 21.960 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.767 22.852 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.636 21.626 -1.547 1.00 0.00 H new ATOM 638 N HIS A 41 18.444 24.363 -2.465 1.00 0.00 N ATOM 639 CA HIS A 41 18.540 25.735 -1.949 1.00 0.00 C ATOM 640 C HIS A 41 19.147 25.711 -0.542 1.00 0.00 C ATOM 641 O HIS A 41 18.882 24.780 0.220 1.00 0.00 O ATOM 642 CB HIS A 41 17.148 26.392 -1.932 1.00 0.00 C ATOM 643 CG HIS A 41 16.390 26.281 -3.232 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.445 27.197 -4.284 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.549 25.262 -3.572 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.627 26.714 -5.233 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.076 25.553 -4.832 1.00 0.00 N ATOM 0 H HIS A 41 18.005 23.727 -1.799 1.00 0.00 H new ATOM 0 HA HIS A 41 19.186 26.324 -2.600 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.554 25.936 -1.139 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.260 27.446 -1.680 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.303 24.398 -2.972 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.438 27.190 -6.184 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.420 24.986 -5.370 1.00 0.00 H new ATOM 655 N ALA A 42 19.933 26.723 -0.184 1.00 0.00 N ATOM 656 CA ALA A 42 20.598 26.818 1.118 1.00 0.00 C ATOM 657 C ALA A 42 20.595 28.258 1.671 1.00 0.00 C ATOM 658 O ALA A 42 20.755 29.221 0.914 1.00 0.00 O ATOM 659 CB ALA A 42 22.022 26.250 1.000 1.00 0.00 C ATOM 0 H ALA A 42 20.131 27.513 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 42 20.038 26.224 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.522 26.318 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.973 25.206 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.582 26.822 0.261 1.00 0.00 H new ATOM 665 N PHE A 43 20.432 28.395 2.994 1.00 0.00 N ATOM 666 CA PHE A 43 20.229 29.685 3.672 1.00 0.00 C ATOM 667 C PHE A 43 20.990 29.728 5.008 1.00 0.00 C ATOM 668 O PHE A 43 20.597 29.024 5.946 1.00 0.00 O ATOM 669 CB PHE A 43 18.722 29.937 3.879 1.00 0.00 C ATOM 670 CG PHE A 43 17.888 29.885 2.614 1.00 0.00 C ATOM 671 CD1 PHE A 43 17.249 28.686 2.245 1.00 0.00 C ATOM 672 CD2 PHE A 43 17.779 31.019 1.789 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.508 28.620 1.054 1.00 0.00 C ATOM 674 CE2 PHE A 43 17.040 30.954 0.594 1.00 0.00 C ATOM 675 CZ PHE A 43 16.410 29.753 0.219 1.00 0.00 C ATOM 0 H PHE A 43 20.437 27.601 3.634 1.00 0.00 H new ATOM 0 HA PHE A 43 20.629 30.480 3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 43 18.338 29.197 4.581 1.00 0.00 H new ATOM 0 HB3 PHE A 43 18.592 30.915 4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.329 27.815 2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 43 18.264 31.941 2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.013 27.701 0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.956 31.827 -0.036 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.853 29.699 -0.705 1.00 0.00 H new ATOM 685 N PRO A 44 22.065 30.535 5.143 1.00 0.00 N ATOM 686 CA PRO A 44 22.788 30.687 6.404 1.00 0.00 C ATOM 687 C PRO A 44 21.969 31.470 7.438 1.00 0.00 C ATOM 688 O PRO A 44 21.222 32.394 7.110 1.00 0.00 O ATOM 689 CB PRO A 44 24.100 31.398 6.046 1.00 0.00 C ATOM 690 CG PRO A 44 23.722 32.236 4.824 1.00 0.00 C ATOM 691 CD PRO A 44 22.686 31.360 4.113 1.00 0.00 C ATOM 0 HA PRO A 44 22.981 29.722 6.872 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.457 32.021 6.866 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.894 30.687 5.817 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.306 33.202 5.110 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.585 32.436 4.189 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.941 31.974 3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.159 30.740 3.352 1.00 0.00 H new ATOM 699 N GLY A 45 22.141 31.116 8.714 1.00 0.00 N ATOM 700 CA GLY A 45 21.535 31.828 9.849 1.00 0.00 C ATOM 701 C GLY A 45 20.054 31.520 10.103 1.00 0.00 C ATOM 702 O GLY A 45 19.398 32.254 10.846 1.00 0.00 O ATOM 0 H GLY A 45 22.711 30.318 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.099 31.587 10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.643 32.900 9.683 1.00 0.00 H new ATOM 706 N LEU A 46 19.518 30.453 9.501 1.00 0.00 N ATOM 707 CA LEU A 46 18.181 29.918 9.781 1.00 0.00 C ATOM 708 C LEU A 46 18.235 28.562 10.514 1.00 0.00 C ATOM 709 O LEU A 46 19.258 27.870 10.515 1.00 0.00 O ATOM 710 CB LEU A 46 17.372 29.799 8.473 1.00 0.00 C ATOM 711 CG LEU A 46 17.136 31.106 7.687 1.00 0.00 C ATOM 712 CD1 LEU A 46 16.213 30.826 6.502 1.00 0.00 C ATOM 713 CD2 LEU A 46 16.474 32.203 8.523 1.00 0.00 C ATOM 0 H LEU A 46 20.016 29.923 8.786 1.00 0.00 H new ATOM 0 HA LEU A 46 17.681 30.619 10.449 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.885 29.095 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.401 29.364 8.711 1.00 0.00 H new ATOM 0 HG LEU A 46 18.120 31.455 7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.045 31.748 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.675 30.086 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.260 30.443 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.337 33.094 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.504 31.854 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.108 32.443 9.376 1.00 0.00 H new ATOM 725 N ALA A 47 17.097 28.174 11.092 1.00 0.00 N ATOM 726 CA ALA A 47 16.775 26.846 11.615 1.00 0.00 C ATOM 727 C ALA A 47 15.317 26.473 11.266 1.00 0.00 C ATOM 728 O ALA A 47 14.500 27.341 10.939 1.00 0.00 O ATOM 729 CB ALA A 47 17.034 26.834 13.128 1.00 0.00 C ATOM 0 H ALA A 47 16.322 28.826 11.215 1.00 0.00 H new ATOM 0 HA ALA A 47 17.411 26.091 11.154 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.797 25.849 13.530 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.083 27.062 13.319 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.406 27.583 13.611 1.00 0.00 H new ATOM 735 N ILE A 48 14.972 25.185 11.351 1.00 0.00 N ATOM 736 CA ILE A 48 13.601 24.703 11.112 1.00 0.00 C ATOM 737 C ILE A 48 12.712 25.051 12.322 1.00 0.00 C ATOM 738 O ILE A 48 13.035 24.679 13.452 1.00 0.00 O ATOM 739 CB ILE A 48 13.574 23.189 10.790 1.00 0.00 C ATOM 740 CG1 ILE A 48 14.425 22.838 9.545 1.00 0.00 C ATOM 741 CG2 ILE A 48 12.122 22.720 10.573 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.782 21.347 9.458 1.00 0.00 C ATOM 0 H ILE A 48 15.632 24.444 11.587 1.00 0.00 H new ATOM 0 HA ILE A 48 13.201 25.208 10.233 1.00 0.00 H new ATOM 0 HB ILE A 48 14.009 22.671 11.645 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.880 23.128 8.647 1.00 0.00 H new ATOM 0 HG13 ILE A 48 15.344 23.425 9.563 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.114 21.654 10.347 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.541 22.904 11.477 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.682 23.270 9.741 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.379 21.167 8.564 1.00 0.00 H new ATOM 0 HD12 ILE A 48 15.354 21.058 10.340 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.867 20.756 9.409 1.00 0.00 H new ATOM 754 N GLY A 49 11.600 25.758 12.088 1.00 0.00 N ATOM 755 CA GLY A 49 10.660 26.194 13.129 1.00 0.00 C ATOM 756 C GLY A 49 9.429 25.298 13.277 1.00 0.00 C ATOM 757 O GLY A 49 9.074 24.909 14.394 1.00 0.00 O ATOM 0 H GLY A 49 11.322 26.049 11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.185 26.232 14.084 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.332 27.209 12.905 1.00 0.00 H new ATOM 761 N ARG A 50 8.756 24.958 12.167 1.00 0.00 N ATOM 762 CA ARG A 50 7.472 24.226 12.166 1.00 0.00 C ATOM 763 C ARG A 50 7.283 23.379 10.910 1.00 0.00 C ATOM 764 O ARG A 50 7.734 23.764 9.833 1.00 0.00 O ATOM 765 CB ARG A 50 6.337 25.258 12.368 1.00 0.00 C ATOM 766 CG ARG A 50 4.912 24.801 12.007 1.00 0.00 C ATOM 767 CD ARG A 50 3.899 25.845 12.500 1.00 0.00 C ATOM 768 NE ARG A 50 2.509 25.419 12.245 1.00 0.00 N ATOM 769 CZ ARG A 50 1.413 26.096 12.543 1.00 0.00 C ATOM 770 NH1 ARG A 50 1.439 27.224 13.191 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 0.249 25.651 12.181 1.00 0.00 N ATOM 0 H ARG A 50 9.090 25.185 11.230 1.00 0.00 H new ATOM 0 HA ARG A 50 7.459 23.507 12.985 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.340 25.567 13.413 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.571 26.141 11.774 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.822 24.673 10.928 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.703 23.833 12.462 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.039 26.012 13.568 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.085 26.797 12.002 1.00 0.00 H new ATOM 0 HE ARG A 50 2.381 24.513 11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.330 27.620 13.490 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.568 27.713 13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.176 24.775 11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.593 26.177 12.414 1.00 0.00 H new ATOM 785 N VAL A 51 6.544 22.275 11.037 1.00 0.00 N ATOM 786 CA VAL A 51 5.943 21.526 9.922 1.00 0.00 C ATOM 787 C VAL A 51 4.517 21.086 10.258 1.00 0.00 C ATOM 788 O VAL A 51 4.263 20.545 11.336 1.00 0.00 O ATOM 789 CB VAL A 51 6.817 20.334 9.482 1.00 0.00 C ATOM 790 CG1 VAL A 51 7.148 19.346 10.604 1.00 0.00 C ATOM 791 CG2 VAL A 51 6.161 19.558 8.332 1.00 0.00 C ATOM 0 H VAL A 51 6.338 21.861 11.946 1.00 0.00 H new ATOM 0 HA VAL A 51 5.890 22.205 9.071 1.00 0.00 H new ATOM 0 HB VAL A 51 7.753 20.789 9.159 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.765 18.539 10.208 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.690 19.863 11.396 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.224 18.931 11.008 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.801 18.724 8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.192 19.177 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.023 20.221 7.478 1.00 0.00 H new ATOM 801 N ASP A 52 3.604 21.266 9.302 1.00 0.00 N ATOM 802 CA ASP A 52 2.255 20.694 9.299 1.00 0.00 C ATOM 803 C ASP A 52 2.148 19.677 8.149 1.00 0.00 C ATOM 804 O ASP A 52 2.158 20.057 6.973 1.00 0.00 O ATOM 805 CB ASP A 52 1.186 21.792 9.148 1.00 0.00 C ATOM 806 CG ASP A 52 1.093 22.834 10.274 1.00 0.00 C ATOM 807 OD1 ASP A 52 1.925 22.865 11.209 1.00 0.00 O ATOM 808 OD2 ASP A 52 0.161 23.665 10.224 1.00 0.00 O1- ATOM 0 H ASP A 52 3.790 21.836 8.477 1.00 0.00 H new ATOM 0 HA ASP A 52 2.078 20.194 10.251 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.372 22.320 8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.214 21.308 9.053 1.00 0.00 H new ATOM 813 N LEU A 53 2.064 18.383 8.476 1.00 0.00 N ATOM 814 CA LEU A 53 2.020 17.285 7.503 1.00 0.00 C ATOM 815 C LEU A 53 0.684 17.265 6.743 1.00 0.00 C ATOM 816 O LEU A 53 0.671 17.078 5.524 1.00 0.00 O ATOM 817 CB LEU A 53 2.261 15.928 8.197 1.00 0.00 C ATOM 818 CG LEU A 53 3.649 15.636 8.798 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.768 15.843 7.777 1.00 0.00 C ATOM 820 CD2 LEU A 53 3.967 16.426 10.075 1.00 0.00 C ATOM 0 H LEU A 53 2.024 18.063 9.444 1.00 0.00 H new ATOM 0 HA LEU A 53 2.818 17.454 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.528 15.833 8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.044 15.144 7.472 1.00 0.00 H new ATOM 0 HG LEU A 53 3.601 14.584 9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.730 15.626 8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.616 15.174 6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.757 16.876 7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.963 16.159 10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.933 17.494 9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.232 16.187 10.843 1.00 0.00 H new ATOM 832 N ARG A 54 -0.436 17.505 7.442 1.00 0.00 N ATOM 833 CA ARG A 54 -1.788 17.553 6.857 1.00 0.00 C ATOM 834 C ARG A 54 -1.960 18.719 5.868 1.00 0.00 C ATOM 835 O ARG A 54 -2.606 18.557 4.835 1.00 0.00 O ATOM 836 CB ARG A 54 -2.808 17.600 8.010 1.00 0.00 C ATOM 837 CG ARG A 54 -4.267 17.516 7.514 1.00 0.00 C ATOM 838 CD ARG A 54 -5.269 17.333 8.662 1.00 0.00 C ATOM 839 NE ARG A 54 -5.261 18.480 9.599 1.00 0.00 N ATOM 840 CZ ARG A 54 -5.847 18.529 10.780 1.00 0.00 C ATOM 841 NH1 ARG A 54 -6.545 17.535 11.255 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -5.752 19.597 11.522 1.00 0.00 N ATOM 0 H ARG A 54 -0.429 17.674 8.448 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.958 16.657 6.261 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.613 16.776 8.696 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.672 18.523 8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.513 18.424 6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.363 16.684 6.816 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.271 17.208 8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.032 16.419 9.207 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.753 19.313 9.302 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.653 16.681 10.708 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.983 17.612 12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.222 20.403 11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.208 19.627 12.434 1.00 0.00 H new ATOM 856 N SER A 55 -1.361 19.872 6.176 1.00 0.00 N ATOM 857 CA SER A 55 -1.406 21.091 5.342 1.00 0.00 C ATOM 858 C SER A 55 -0.333 21.124 4.241 1.00 0.00 C ATOM 859 O SER A 55 -0.500 21.838 3.250 1.00 0.00 O ATOM 860 CB SER A 55 -1.256 22.335 6.225 1.00 0.00 C ATOM 861 OG SER A 55 -2.217 22.326 7.275 1.00 0.00 O ATOM 0 H SER A 55 -0.817 19.994 7.030 1.00 0.00 H new ATOM 0 HA SER A 55 -2.375 21.082 4.844 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.251 22.369 6.646 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.379 23.233 5.620 1.00 0.00 H new ATOM 0 HG SER A 55 -2.104 23.127 7.829 1.00 0.00 H new ATOM 867 N GLY A 56 0.761 20.367 4.395 1.00 0.00 N ATOM 868 CA GLY A 56 1.890 20.344 3.457 1.00 0.00 C ATOM 869 C GLY A 56 2.742 21.622 3.498 1.00 0.00 C ATOM 870 O GLY A 56 3.120 22.143 2.446 1.00 0.00 O ATOM 0 H GLY A 56 0.888 19.741 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.523 19.486 3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.510 20.202 2.445 1.00 0.00 H new ATOM 874 N VAL A 57 3.022 22.156 4.691 1.00 0.00 N ATOM 875 CA VAL A 57 3.735 23.433 4.902 1.00 0.00 C ATOM 876 C VAL A 57 4.863 23.290 5.924 1.00 0.00 C ATOM 877 O VAL A 57 4.669 22.701 6.991 1.00 0.00 O ATOM 878 CB VAL A 57 2.759 24.563 5.317 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.475 25.892 5.597 1.00 0.00 C ATOM 880 CG2 VAL A 57 1.735 24.836 4.213 1.00 0.00 C ATOM 0 H VAL A 57 2.754 21.704 5.565 1.00 0.00 H new ATOM 0 HA VAL A 57 4.185 23.708 3.948 1.00 0.00 H new ATOM 0 HB VAL A 57 2.277 24.208 6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.742 26.647 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.191 25.756 6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.000 26.218 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.062 25.633 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.253 25.139 3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.159 23.931 4.019 1.00 0.00 H new ATOM 890 N ILE A 58 6.021 23.887 5.620 1.00 0.00 N ATOM 891 CA ILE A 58 7.200 24.014 6.492 1.00 0.00 C ATOM 892 C ILE A 58 7.541 25.504 6.674 1.00 0.00 C ATOM 893 O ILE A 58 7.531 26.267 5.704 1.00 0.00 O ATOM 894 CB ILE A 58 8.393 23.216 5.915 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.078 21.704 5.904 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.688 23.484 6.723 1.00 0.00 C ATOM 897 CD1 ILE A 58 9.087 20.852 5.133 1.00 0.00 C ATOM 0 H ILE A 58 6.172 24.319 4.709 1.00 0.00 H new ATOM 0 HA ILE A 58 6.978 23.591 7.472 1.00 0.00 H new ATOM 0 HB ILE A 58 8.554 23.551 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.032 21.348 6.933 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.089 21.555 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.510 22.910 6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.928 24.546 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.538 23.184 7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.788 19.805 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.118 21.177 4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.075 20.966 5.578 1.00 0.00 H new ATOM 909 N SER A 59 7.897 25.900 7.898 1.00 0.00 N ATOM 910 CA SER A 59 8.272 27.276 8.249 1.00 0.00 C ATOM 911 C SER A 59 9.652 27.342 8.903 1.00 0.00 C ATOM 912 O SER A 59 9.998 26.508 9.748 1.00 0.00 O ATOM 913 CB SER A 59 7.207 27.889 9.158 1.00 0.00 C ATOM 914 OG SER A 59 7.466 29.267 9.366 1.00 0.00 O ATOM 0 H SER A 59 7.934 25.261 8.692 1.00 0.00 H new ATOM 0 HA SER A 59 8.330 27.855 7.328 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.221 27.762 8.711 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.193 27.367 10.115 1.00 0.00 H new ATOM 0 HG SER A 59 6.775 29.646 9.948 1.00 0.00 H new ATOM 920 N LEU A 60 10.449 28.336 8.499 1.00 0.00 N ATOM 921 CA LEU A 60 11.819 28.574 8.964 1.00 0.00 C ATOM 922 C LEU A 60 11.913 29.825 9.864 1.00 0.00 C ATOM 923 O LEU A 60 11.170 30.796 9.686 1.00 0.00 O ATOM 924 CB LEU A 60 12.759 28.675 7.748 1.00 0.00 C ATOM 925 CG LEU A 60 12.749 27.446 6.813 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.635 27.713 5.601 1.00 0.00 C ATOM 927 CD2 LEU A 60 13.241 26.183 7.514 1.00 0.00 C ATOM 0 H LEU A 60 10.145 29.025 7.811 1.00 0.00 H new ATOM 0 HA LEU A 60 12.130 27.732 9.582 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.485 29.556 7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.776 28.832 8.106 1.00 0.00 H new ATOM 0 HG LEU A 60 11.716 27.283 6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.625 26.843 4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.259 28.581 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.656 27.906 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.216 25.346 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 60 14.263 26.335 7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.596 25.965 8.366 1.00 0.00 H new ATOM 939 N ILE A 61 12.849 29.799 10.817 1.00 0.00 N ATOM 940 CA ILE A 61 13.088 30.853 11.829 1.00 0.00 C ATOM 941 C ILE A 61 14.573 31.213 11.914 1.00 0.00 C ATOM 942 O ILE A 61 15.439 30.442 11.502 1.00 0.00 O ATOM 943 CB ILE A 61 12.515 30.449 13.212 1.00 0.00 C ATOM 944 CG1 ILE A 61 13.223 29.223 13.842 1.00 0.00 C ATOM 945 CG2 ILE A 61 11.000 30.212 13.132 1.00 0.00 C ATOM 946 CD1 ILE A 61 14.233 29.591 14.934 1.00 0.00 C ATOM 0 H ILE A 61 13.492 29.014 10.916 1.00 0.00 H new ATOM 0 HA ILE A 61 12.555 31.748 11.509 1.00 0.00 H new ATOM 0 HB ILE A 61 12.712 31.292 13.874 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.471 28.557 14.264 1.00 0.00 H new ATOM 0 HG13 ILE A 61 13.736 28.667 13.057 1.00 0.00 H new ATOM 0 HG21 ILE A 61 10.623 29.930 14.115 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.506 31.126 12.803 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.794 29.412 12.421 1.00 0.00 H new ATOM 0 HD11 ILE A 61 14.689 28.683 15.329 1.00 0.00 H new ATOM 0 HD12 ILE A 61 15.007 30.232 14.512 1.00 0.00 H new ATOM 0 HD13 ILE A 61 13.722 30.120 15.739 1.00 0.00 H new ATOM 958 N GLU A 62 14.887 32.391 12.449 1.00 0.00 N ATOM 959 CA GLU A 62 16.269 32.890 12.553 1.00 0.00 C ATOM 960 C GLU A 62 17.044 32.204 13.693 1.00 0.00 C ATOM 961 O GLU A 62 16.684 32.312 14.869 1.00 0.00 O ATOM 962 CB GLU A 62 16.297 34.417 12.734 1.00 0.00 C ATOM 963 CG GLU A 62 15.748 35.178 11.514 1.00 0.00 C ATOM 964 CD GLU A 62 15.800 36.706 11.714 1.00 0.00 C ATOM 965 OE1 GLU A 62 14.784 37.391 11.440 1.00 0.00 O ATOM 966 OE2 GLU A 62 16.859 37.247 12.126 1.00 0.00 O1- ATOM 0 H GLU A 62 14.191 33.034 12.826 1.00 0.00 H new ATOM 0 HA GLU A 62 16.765 32.642 11.615 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.713 34.684 13.615 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.322 34.736 12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.325 34.909 10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.718 34.872 11.329 1.00 0.00 H new ATOM 973 N GLU A 63 18.138 31.525 13.348 1.00 0.00 N ATOM 974 CA GLU A 63 19.066 30.909 14.304 1.00 0.00 C ATOM 975 C GLU A 63 19.849 31.982 15.084 1.00 0.00 C ATOM 976 O GLU A 63 20.318 32.971 14.506 1.00 0.00 O ATOM 977 CB GLU A 63 19.978 29.917 13.567 1.00 0.00 C ATOM 978 CG GLU A 63 20.991 29.192 14.469 1.00 0.00 C ATOM 979 CD GLU A 63 22.301 29.974 14.672 1.00 0.00 C ATOM 980 OE1 GLU A 63 22.948 30.353 13.662 1.00 0.00 O ATOM 981 OE2 GLU A 63 22.703 30.198 15.837 1.00 0.00 O1- ATOM 0 H GLU A 63 18.412 31.383 12.376 1.00 0.00 H new ATOM 0 HA GLU A 63 18.505 30.347 15.050 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.357 29.173 13.068 1.00 0.00 H new ATOM 0 HB3 GLU A 63 20.522 30.452 12.788 1.00 0.00 H new ATOM 0 HG2 GLU A 63 20.533 29.007 15.441 1.00 0.00 H new ATOM 0 HG3 GLU A 63 21.221 28.219 14.035 1.00 0.00 H new ATOM 988 N GLN A 64 19.974 31.791 16.400 1.00 0.00 N ATOM 989 CA GLN A 64 20.506 32.795 17.336 1.00 0.00 C ATOM 990 C GLN A 64 21.228 32.191 18.561 1.00 0.00 C ATOM 991 O GLN A 64 21.323 32.826 19.614 1.00 0.00 O ATOM 992 CB GLN A 64 19.373 33.770 17.709 1.00 0.00 C ATOM 993 CG GLN A 64 18.185 33.128 18.453 1.00 0.00 C ATOM 994 CD GLN A 64 16.933 33.996 18.351 1.00 0.00 C ATOM 995 OE1 GLN A 64 16.611 34.775 19.245 1.00 0.00 O ATOM 996 NE2 GLN A 64 16.196 33.928 17.262 1.00 0.00 N ATOM 0 H GLN A 64 19.704 30.920 16.857 1.00 0.00 H new ATOM 0 HA GLN A 64 21.299 33.349 16.833 1.00 0.00 H new ATOM 0 HB2 GLN A 64 19.786 34.564 18.331 1.00 0.00 H new ATOM 0 HB3 GLN A 64 19.002 34.239 16.798 1.00 0.00 H new ATOM 0 HG2 GLN A 64 17.982 32.142 18.036 1.00 0.00 H new ATOM 0 HG3 GLN A 64 18.445 32.983 19.501 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.452 33.286 16.512 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.369 34.518 17.168 1.00 0.00 H new ATOM 1005 N ASN A 65 21.750 30.965 18.428 1.00 0.00 N ATOM 1006 CA ASN A 65 22.671 30.360 19.402 1.00 0.00 C ATOM 1007 C ASN A 65 24.091 30.958 19.279 1.00 0.00 C ATOM 1008 O ASN A 65 24.773 31.136 20.291 1.00 0.00 O ATOM 1009 CB ASN A 65 22.679 28.834 19.180 1.00 0.00 C ATOM 1010 CG ASN A 65 23.608 28.123 20.155 1.00 0.00 C ATOM 1011 OD1 ASN A 65 24.656 27.606 19.793 1.00 0.00 O ATOM 1012 ND2 ASN A 65 23.266 28.099 21.422 1.00 0.00 N ATOM 0 H ASN A 65 21.544 30.359 17.634 1.00 0.00 H new ATOM 0 HA ASN A 65 22.331 30.579 20.414 1.00 0.00 H new ATOM 0 HB2 ASN A 65 21.667 28.445 19.294 1.00 0.00 H new ATOM 0 HB3 ASN A 65 22.991 28.617 18.158 1.00 0.00 H new ATOM 0 HD21 ASN A 65 23.874 27.649 22.106 1.00 0.00 H new ATOM 0 HD22 ASN A 65 22.392 28.530 21.723 1.00 0.00 H new ATOM 1019 N ARG A 66 24.530 31.269 18.052 1.00 0.00 N ATOM 1020 CA ARG A 66 25.809 31.941 17.747 1.00 0.00 C ATOM 1021 C ARG A 66 25.790 33.435 18.109 1.00 0.00 C ATOM 1022 O ARG A 66 26.777 33.910 18.722 1.00 0.00 O ATOM 1023 CB ARG A 66 26.179 31.731 16.270 1.00 0.00 C ATOM 1024 CG ARG A 66 26.506 30.261 15.950 1.00 0.00 C ATOM 1025 CD ARG A 66 26.922 30.080 14.483 1.00 0.00 C ATOM 1026 NE ARG A 66 25.810 30.364 13.565 1.00 0.00 N ATOM 1027 CZ ARG A 66 25.861 30.539 12.264 1.00 0.00 C ATOM 1028 NH1 ARG A 66 26.967 30.494 11.582 1.00 0.00 N1+ ATOM 1029 NH2 ARG A 66 24.750 30.742 11.636 1.00 0.00 N ATOM 1030 OXT ARG A 66 24.808 34.133 17.765 1.00 0.00 O1- ATOM 0 H ARG A 66 23.990 31.054 17.214 1.00 0.00 H new ATOM 0 HA ARG A 66 26.576 31.484 18.371 1.00 0.00 H new ATOM 0 HB2 ARG A 66 25.353 32.062 15.641 1.00 0.00 H new ATOM 0 HB3 ARG A 66 27.038 32.354 16.021 1.00 0.00 H new ATOM 0 HG2 ARG A 66 27.309 29.916 16.602 1.00 0.00 H new ATOM 0 HG3 ARG A 66 25.635 29.640 16.161 1.00 0.00 H new ATOM 0 HD2 ARG A 66 27.758 30.741 14.257 1.00 0.00 H new ATOM 0 HD3 ARG A 66 27.272 29.059 14.327 1.00 0.00 H new ATOM 0 HE ARG A 66 24.885 30.434 13.990 1.00 0.00 H new ATOM 0 HH11 ARG A 66 27.852 30.316 12.057 1.00 0.00 H new ATOM 0 HH12 ARG A 66 26.950 30.637 10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 66 23.870 30.763 12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 66 24.753 30.882 10.626 1.00 0.00 H new TER 1044 ARG A 66 ATOM 1045 N GLY B -3 -1.204 10.562 -7.229 1.00 0.00 N ATOM 1046 CA GLY B -3 -0.171 10.826 -6.205 1.00 0.00 C ATOM 1047 C GLY B -3 -0.677 10.501 -4.802 1.00 0.00 C ATOM 1048 O GLY B -3 -1.489 9.584 -4.653 1.00 0.00 O ATOM 0 H1 GLY B -3 -0.780 10.043 -8.024 1.00 0.00 H new ATOM 0 H2 GLY B -3 -1.968 9.993 -6.812 1.00 0.00 H new ATOM 0 H3 GLY B -3 -1.591 11.464 -7.572 1.00 0.00 H new ATOM 0 HA2 GLY B -3 0.716 10.230 -6.420 1.00 0.00 H new ATOM 0 HA3 GLY B -3 0.129 11.873 -6.251 1.00 0.00 H new ATOM 1054 N PRO B -2 -0.214 11.228 -3.765 1.00 0.00 N ATOM 1055 CA PRO B -2 -0.668 11.067 -2.376 1.00 0.00 C ATOM 1056 C PRO B -2 -2.184 11.248 -2.171 1.00 0.00 C ATOM 1057 O PRO B -2 -2.880 11.854 -2.992 1.00 0.00 O ATOM 1058 CB PRO B -2 0.143 12.075 -1.550 1.00 0.00 C ATOM 1059 CG PRO B -2 1.412 12.260 -2.382 1.00 0.00 C ATOM 1060 CD PRO B -2 0.891 12.178 -3.809 1.00 0.00 C ATOM 0 HA PRO B -2 -0.497 10.039 -2.058 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -0.394 13.014 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO B -2 0.366 11.694 -0.553 1.00 0.00 H new ATOM 0 HG2 PRO B -2 1.892 13.218 -2.181 1.00 0.00 H new ATOM 0 HG3 PRO B -2 2.149 11.484 -2.175 1.00 0.00 H new ATOM 0 HD2 PRO B -2 0.556 13.154 -4.161 1.00 0.00 H new ATOM 0 HD3 PRO B -2 1.670 11.842 -4.493 1.00 0.00 H new ATOM 1068 N GLY B -1 -2.693 10.729 -1.047 1.00 0.00 N ATOM 1069 CA GLY B -1 -4.106 10.816 -0.648 1.00 0.00 C ATOM 1070 C GLY B -1 -4.542 12.196 -0.130 1.00 0.00 C ATOM 1071 O GLY B -1 -3.798 13.182 -0.192 1.00 0.00 O ATOM 0 H GLY B -1 -2.120 10.224 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -4.728 10.550 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -4.297 10.075 0.128 1.00 0.00 H new ATOM 1075 N SER B 0 -5.756 12.264 0.423 1.00 0.00 N ATOM 1076 CA SER B 0 -6.386 13.492 0.955 1.00 0.00 C ATOM 1077 C SER B 0 -5.691 14.093 2.190 1.00 0.00 C ATOM 1078 O SER B 0 -5.986 15.228 2.570 1.00 0.00 O ATOM 1079 CB SER B 0 -7.855 13.214 1.299 1.00 0.00 C ATOM 1080 OG SER B 0 -8.545 12.667 0.180 1.00 0.00 O ATOM 0 H SER B 0 -6.353 11.443 0.520 1.00 0.00 H new ATOM 0 HA SER B 0 -6.291 14.232 0.160 1.00 0.00 H new ATOM 0 HB2 SER B 0 -7.911 12.522 2.139 1.00 0.00 H new ATOM 0 HB3 SER B 0 -8.340 14.138 1.614 1.00 0.00 H new ATOM 0 HG SER B 0 -9.479 12.496 0.423 1.00 0.00 H new ATOM 1086 N MET B 1 -4.766 13.358 2.817 1.00 0.00 N ATOM 1087 CA MET B 1 -3.928 13.792 3.941 1.00 0.00 C ATOM 1088 C MET B 1 -2.556 13.090 3.914 1.00 0.00 C ATOM 1089 O MET B 1 -2.369 12.086 3.223 1.00 0.00 O ATOM 1090 CB MET B 1 -4.649 13.532 5.284 1.00 0.00 C ATOM 1091 CG MET B 1 -4.959 12.048 5.535 1.00 0.00 C ATOM 1092 SD MET B 1 -5.235 11.596 7.267 1.00 0.00 S ATOM 1093 CE MET B 1 -3.528 11.635 7.878 1.00 0.00 C ATOM 0 H MET B 1 -4.572 12.396 2.540 1.00 0.00 H new ATOM 0 HA MET B 1 -3.756 14.864 3.842 1.00 0.00 H new ATOM 0 HB2 MET B 1 -4.030 13.909 6.098 1.00 0.00 H new ATOM 0 HB3 MET B 1 -5.580 14.098 5.303 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.845 11.777 4.961 1.00 0.00 H new ATOM 0 HG3 MET B 1 -4.133 11.451 5.148 1.00 0.00 H new ATOM 0 HE1 MET B 1 -3.496 11.243 8.895 1.00 0.00 H new ATOM 0 HE2 MET B 1 -2.897 11.023 7.233 1.00 0.00 H new ATOM 0 HE3 MET B 1 -3.163 12.662 7.874 1.00 0.00 H new ATOM 1103 N CYS B 2 -1.618 13.595 4.719 1.00 0.00 N ATOM 1104 CA CYS B 2 -0.337 12.957 5.038 1.00 0.00 C ATOM 1105 C CYS B 2 -0.099 12.953 6.553 1.00 0.00 C ATOM 1106 O CYS B 2 -0.597 13.819 7.277 1.00 0.00 O ATOM 1107 CB CYS B 2 0.811 13.684 4.326 1.00 0.00 C ATOM 1108 SG CYS B 2 0.789 13.685 2.512 1.00 0.00 S ATOM 0 H CYS B 2 -1.734 14.495 5.185 1.00 0.00 H new ATOM 0 HA CYS B 2 -0.371 11.925 4.689 1.00 0.00 H new ATOM 0 HB2 CYS B 2 0.817 14.720 4.665 1.00 0.00 H new ATOM 0 HB3 CYS B 2 1.749 13.236 4.653 1.00 0.00 H new ATOM 1113 N MET B 3 0.707 12.001 7.018 1.00 0.00 N ATOM 1114 CA MET B 3 1.192 11.902 8.398 1.00 0.00 C ATOM 1115 C MET B 3 2.588 11.254 8.435 1.00 0.00 C ATOM 1116 O MET B 3 3.000 10.588 7.479 1.00 0.00 O ATOM 1117 CB MET B 3 0.173 11.155 9.279 1.00 0.00 C ATOM 1118 CG MET B 3 0.001 9.672 8.938 1.00 0.00 C ATOM 1119 SD MET B 3 -1.299 8.862 9.906 1.00 0.00 S ATOM 1120 CE MET B 3 -1.118 7.172 9.287 1.00 0.00 C ATOM 0 H MET B 3 1.055 11.248 6.424 1.00 0.00 H new ATOM 0 HA MET B 3 1.294 12.905 8.811 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.481 11.241 10.321 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.795 11.649 9.191 1.00 0.00 H new ATOM 0 HG2 MET B 3 -0.231 9.574 7.877 1.00 0.00 H new ATOM 0 HG3 MET B 3 0.946 9.155 9.107 1.00 0.00 H new ATOM 0 HE1 MET B 3 -1.846 6.525 9.777 1.00 0.00 H new ATOM 0 HE2 MET B 3 -1.288 7.159 8.210 1.00 0.00 H new ATOM 0 HE3 MET B 3 -0.111 6.812 9.500 1.00 0.00 H new ATOM 1130 N ALA B 4 3.314 11.454 9.531 1.00 0.00 N ATOM 1131 CA ALA B 4 4.728 11.082 9.669 1.00 0.00 C ATOM 1132 C ALA B 4 5.037 10.473 11.051 1.00 0.00 C ATOM 1133 O ALA B 4 4.131 10.310 11.874 1.00 0.00 O ATOM 1134 CB ALA B 4 5.539 12.357 9.401 1.00 0.00 C ATOM 0 H ALA B 4 2.931 11.889 10.370 1.00 0.00 H new ATOM 0 HA ALA B 4 4.993 10.301 8.957 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.603 12.137 9.491 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.327 12.718 8.395 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.264 13.122 10.127 1.00 0.00 H new ATOM 1140 N LYS B 5 6.308 10.157 11.325 1.00 0.00 N ATOM 1141 CA LYS B 5 6.806 9.855 12.677 1.00 0.00 C ATOM 1142 C LYS B 5 7.871 10.843 13.161 1.00 0.00 C ATOM 1143 O LYS B 5 8.716 11.296 12.387 1.00 0.00 O ATOM 1144 CB LYS B 5 7.251 8.381 12.801 1.00 0.00 C ATOM 1145 CG LYS B 5 8.537 8.029 12.033 1.00 0.00 C ATOM 1146 CD LYS B 5 8.994 6.610 12.392 1.00 0.00 C ATOM 1147 CE LYS B 5 10.365 6.293 11.781 1.00 0.00 C ATOM 1148 NZ LYS B 5 10.898 5.012 12.309 1.00 0.00 N1+ ATOM 0 H LYS B 5 7.030 10.102 10.607 1.00 0.00 H new ATOM 0 HA LYS B 5 5.965 9.990 13.357 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.399 8.148 13.856 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.444 7.741 12.443 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.360 8.102 10.960 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.322 8.745 12.276 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.044 6.505 13.476 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.259 5.888 12.035 1.00 0.00 H new ATOM 0 HE2 LYS B 5 10.279 6.236 10.696 1.00 0.00 H new ATOM 0 HE3 LYS B 5 11.062 7.101 12.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 11.776 4.768 11.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 11.096 5.111 13.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.196 4.258 12.165 1.00 0.00 H new ATOM 1162 N VAL B 6 7.860 11.141 14.457 1.00 0.00 N ATOM 1163 CA VAL B 6 8.935 11.841 15.175 1.00 0.00 C ATOM 1164 C VAL B 6 9.947 10.838 15.736 1.00 0.00 C ATOM 1165 O VAL B 6 9.571 9.737 16.147 1.00 0.00 O ATOM 1166 CB VAL B 6 8.338 12.755 16.264 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.262 13.074 17.445 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.932 14.074 15.611 1.00 0.00 C ATOM 0 H VAL B 6 7.077 10.895 15.063 1.00 0.00 H new ATOM 0 HA VAL B 6 9.479 12.481 14.480 1.00 0.00 H new ATOM 0 HB VAL B 6 7.500 12.200 16.685 1.00 0.00 H new ATOM 0 HG11 VAL B 6 8.741 13.723 18.149 1.00 0.00 H new ATOM 0 HG12 VAL B 6 9.545 12.148 17.946 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.157 13.578 17.081 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.506 14.737 16.364 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.809 14.545 15.167 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.190 13.883 14.835 1.00 0.00 H new ATOM 1178 N VAL B 7 11.223 11.237 15.805 1.00 0.00 N ATOM 1179 CA VAL B 7 12.295 10.505 16.496 1.00 0.00 C ATOM 1180 C VAL B 7 13.201 11.479 17.258 1.00 0.00 C ATOM 1181 O VAL B 7 13.584 12.523 16.724 1.00 0.00 O ATOM 1182 CB VAL B 7 13.073 9.583 15.533 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.731 10.314 14.355 1.00 0.00 C ATOM 1184 CG2 VAL B 7 14.160 8.790 16.276 1.00 0.00 C ATOM 0 H VAL B 7 11.548 12.101 15.371 1.00 0.00 H new ATOM 0 HA VAL B 7 11.842 9.842 17.234 1.00 0.00 H new ATOM 0 HB VAL B 7 12.315 8.914 15.126 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.257 9.594 13.728 1.00 0.00 H new ATOM 0 HG12 VAL B 7 12.965 10.818 13.765 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.440 11.050 14.734 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.690 8.150 15.570 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.864 9.482 16.738 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.698 8.174 17.048 1.00 0.00 H new ATOM 1194 N LEU B 8 13.519 11.148 18.514 1.00 0.00 N ATOM 1195 CA LEU B 8 14.305 11.976 19.440 1.00 0.00 C ATOM 1196 C LEU B 8 15.164 11.111 20.374 1.00 0.00 C ATOM 1197 O LEU B 8 14.830 9.952 20.642 1.00 0.00 O ATOM 1198 CB LEU B 8 13.356 12.908 20.215 1.00 0.00 C ATOM 1199 CG LEU B 8 12.414 12.245 21.244 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.006 12.251 22.657 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.084 12.996 21.299 1.00 0.00 C ATOM 0 H LEU B 8 13.226 10.264 18.931 1.00 0.00 H new ATOM 0 HA LEU B 8 15.003 12.591 18.872 1.00 0.00 H new ATOM 0 HB2 LEU B 8 13.960 13.650 20.737 1.00 0.00 H new ATOM 0 HB3 LEU B 8 12.744 13.447 19.492 1.00 0.00 H new ATOM 0 HG LEU B 8 12.273 11.214 20.918 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.308 11.775 23.346 1.00 0.00 H new ATOM 0 HD12 LEU B 8 13.949 11.704 22.659 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.183 13.279 22.973 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.427 12.520 22.027 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.262 14.031 21.592 1.00 0.00 H new ATOM 0 HD23 LEU B 8 10.613 12.973 20.316 1.00 0.00 H new ATOM 1213 N THR B 9 16.245 11.688 20.904 1.00 0.00 N ATOM 1214 CA THR B 9 17.156 11.010 21.851 1.00 0.00 C ATOM 1215 C THR B 9 17.471 11.916 23.045 1.00 0.00 C ATOM 1216 O THR B 9 17.812 13.091 22.877 1.00 0.00 O ATOM 1217 CB THR B 9 18.462 10.559 21.163 1.00 0.00 C ATOM 1218 OG1 THR B 9 18.207 9.980 19.894 1.00 0.00 O ATOM 1219 CG2 THR B 9 19.208 9.496 21.971 1.00 0.00 C ATOM 0 H THR B 9 16.522 12.646 20.691 1.00 0.00 H new ATOM 0 HA THR B 9 16.643 10.118 22.212 1.00 0.00 H new ATOM 0 HB THR B 9 19.063 11.464 21.075 1.00 0.00 H new ATOM 0 HG1 THR B 9 18.381 10.641 19.192 1.00 0.00 H new ATOM 0 HG21 THR B 9 20.119 9.212 21.445 1.00 0.00 H new ATOM 0 HG22 THR B 9 19.465 9.898 22.951 1.00 0.00 H new ATOM 0 HG23 THR B 9 18.572 8.619 22.094 1.00 0.00 H new ATOM 1227 N LYS B 10 17.361 11.365 24.261 1.00 0.00 N ATOM 1228 CA LYS B 10 17.677 12.028 25.541 1.00 0.00 C ATOM 1229 C LYS B 10 19.182 12.271 25.707 1.00 0.00 C ATOM 1230 O LYS B 10 20.003 11.606 25.074 1.00 0.00 O ATOM 1231 CB LYS B 10 17.172 11.156 26.704 1.00 0.00 C ATOM 1232 CG LYS B 10 15.643 10.992 26.733 1.00 0.00 C ATOM 1233 CD LYS B 10 15.234 9.974 27.814 1.00 0.00 C ATOM 1234 CE LYS B 10 13.740 9.633 27.755 1.00 0.00 C ATOM 1235 NZ LYS B 10 12.880 10.764 28.197 1.00 0.00 N1+ ATOM 0 H LYS B 10 17.037 10.406 24.389 1.00 0.00 H new ATOM 0 HA LYS B 10 17.180 12.998 25.545 1.00 0.00 H new ATOM 0 HB2 LYS B 10 17.633 10.171 26.635 1.00 0.00 H new ATOM 0 HB3 LYS B 10 17.500 11.596 27.646 1.00 0.00 H new ATOM 0 HG2 LYS B 10 15.171 11.954 26.933 1.00 0.00 H new ATOM 0 HG3 LYS B 10 15.288 10.659 25.758 1.00 0.00 H new ATOM 0 HD2 LYS B 10 15.818 9.062 27.691 1.00 0.00 H new ATOM 0 HD3 LYS B 10 15.474 10.376 28.798 1.00 0.00 H new ATOM 0 HE2 LYS B 10 13.474 9.355 26.735 1.00 0.00 H new ATOM 0 HE3 LYS B 10 13.544 8.764 28.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 11.880 10.483 28.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 13.113 11.014 29.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 13.045 11.586 27.582 1.00 0.00 H new ATOM 1249 N ALA B 11 19.542 13.133 26.659 1.00 0.00 N ATOM 1250 CA ALA B 11 20.932 13.361 27.088 1.00 0.00 C ATOM 1251 C ALA B 11 21.579 12.091 27.700 1.00 0.00 C ATOM 1252 O ALA B 11 22.794 11.900 27.599 1.00 0.00 O ATOM 1253 CB ALA B 11 20.933 14.521 28.088 1.00 0.00 C ATOM 0 H ALA B 11 18.867 13.705 27.166 1.00 0.00 H new ATOM 0 HA ALA B 11 21.538 13.610 26.217 1.00 0.00 H new ATOM 0 HB1 ALA B 11 21.953 14.712 28.423 1.00 0.00 H new ATOM 0 HB2 ALA B 11 20.535 15.415 27.608 1.00 0.00 H new ATOM 0 HB3 ALA B 11 20.312 14.263 28.946 1.00 0.00 H new ATOM 1259 N ASP B 12 20.766 11.201 28.286 1.00 0.00 N ATOM 1260 CA ASP B 12 21.160 9.885 28.797 1.00 0.00 C ATOM 1261 C ASP B 12 21.361 8.820 27.695 1.00 0.00 C ATOM 1262 O ASP B 12 21.766 7.689 27.984 1.00 0.00 O ATOM 1263 CB ASP B 12 20.095 9.431 29.807 1.00 0.00 C ATOM 1264 CG ASP B 12 19.995 10.297 31.081 1.00 0.00 C ATOM 1265 OD1 ASP B 12 20.955 11.025 31.436 1.00 0.00 O ATOM 1266 OD2 ASP B 12 18.951 10.217 31.771 1.00 0.00 O1- ATOM 0 H ASP B 12 19.773 11.389 28.422 1.00 0.00 H new ATOM 0 HA ASP B 12 22.136 9.987 29.271 1.00 0.00 H new ATOM 0 HB2 ASP B 12 19.124 9.426 29.312 1.00 0.00 H new ATOM 0 HB3 ASP B 12 20.308 8.403 30.100 1.00 0.00 H new ATOM 1271 N GLY B 13 21.074 9.155 26.432 1.00 0.00 N ATOM 1272 CA GLY B 13 21.165 8.253 25.277 1.00 0.00 C ATOM 1273 C GLY B 13 19.902 7.416 25.005 1.00 0.00 C ATOM 1274 O GLY B 13 19.910 6.568 24.106 1.00 0.00 O ATOM 0 H GLY B 13 20.762 10.092 26.177 1.00 0.00 H new ATOM 0 HA2 GLY B 13 21.389 8.845 24.389 1.00 0.00 H new ATOM 0 HA3 GLY B 13 22.006 7.576 25.429 1.00 0.00 H new ATOM 1278 N GLY B 14 18.818 7.653 25.752 1.00 0.00 N ATOM 1279 CA GLY B 14 17.543 6.951 25.583 1.00 0.00 C ATOM 1280 C GLY B 14 16.752 7.480 24.381 1.00 0.00 C ATOM 1281 O GLY B 14 16.404 8.659 24.346 1.00 0.00 O ATOM 0 H GLY B 14 18.802 8.346 26.500 1.00 0.00 H new ATOM 0 HA2 GLY B 14 17.730 5.885 25.453 1.00 0.00 H new ATOM 0 HA3 GLY B 14 16.945 7.062 26.488 1.00 0.00 H new ATOM 1285 N ARG B 15 16.459 6.620 23.400 1.00 0.00 N ATOM 1286 CA ARG B 15 15.744 6.972 22.156 1.00 0.00 C ATOM 1287 C ARG B 15 14.236 6.699 22.248 1.00 0.00 C ATOM 1288 O ARG B 15 13.812 5.701 22.829 1.00 0.00 O ATOM 1289 CB ARG B 15 16.420 6.259 20.972 1.00 0.00 C ATOM 1290 CG ARG B 15 15.840 6.669 19.604 1.00 0.00 C ATOM 1291 CD ARG B 15 16.849 6.414 18.478 1.00 0.00 C ATOM 1292 NE ARG B 15 17.943 7.401 18.537 1.00 0.00 N ATOM 1293 CZ ARG B 15 19.100 7.379 17.911 1.00 0.00 C ATOM 1294 NH1 ARG B 15 19.442 6.427 17.092 1.00 0.00 N1+ ATOM 1295 NH2 ARG B 15 19.942 8.343 18.124 1.00 0.00 N ATOM 0 H ARG B 15 16.716 5.634 23.444 1.00 0.00 H new ATOM 0 HA ARG B 15 15.816 8.047 21.994 1.00 0.00 H new ATOM 0 HB2 ARG B 15 17.488 6.477 20.987 1.00 0.00 H new ATOM 0 HB3 ARG B 15 16.313 5.181 21.096 1.00 0.00 H new ATOM 0 HG2 ARG B 15 14.925 6.109 19.411 1.00 0.00 H new ATOM 0 HG3 ARG B 15 15.569 7.725 19.622 1.00 0.00 H new ATOM 0 HD2 ARG B 15 17.255 5.406 18.565 1.00 0.00 H new ATOM 0 HD3 ARG B 15 16.348 6.473 17.512 1.00 0.00 H new ATOM 0 HE ARG B 15 17.782 8.206 19.142 1.00 0.00 H new ATOM 0 HH11 ARG B 15 18.801 5.654 16.912 1.00 0.00 H new ATOM 0 HH12 ARG B 15 20.351 6.454 16.630 1.00 0.00 H new ATOM 0 HH21 ARG B 15 19.701 9.098 18.766 1.00 0.00 H new ATOM 0 HH22 ARG B 15 20.845 8.346 17.649 1.00 0.00 H new ATOM 1309 N VAL B 16 13.437 7.601 21.666 1.00 0.00 N ATOM 1310 CA VAL B 16 11.964 7.607 21.682 1.00 0.00 C ATOM 1311 C VAL B 16 11.427 7.941 20.282 1.00 0.00 C ATOM 1312 O VAL B 16 12.012 8.750 19.559 1.00 0.00 O ATOM 1313 CB VAL B 16 11.441 8.606 22.747 1.00 0.00 C ATOM 1314 CG1 VAL B 16 9.910 8.720 22.785 1.00 0.00 C ATOM 1315 CG2 VAL B 16 11.888 8.222 24.165 1.00 0.00 C ATOM 0 H VAL B 16 13.818 8.389 21.143 1.00 0.00 H new ATOM 0 HA VAL B 16 11.602 6.616 21.954 1.00 0.00 H new ATOM 0 HB VAL B 16 11.870 9.561 22.443 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.617 9.436 23.553 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.546 9.059 21.815 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.478 7.746 23.014 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.499 8.949 24.878 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.506 7.231 24.411 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.977 8.213 24.213 1.00 0.00 H new ATOM 1325 N GLU B 17 10.299 7.332 19.901 1.00 0.00 N ATOM 1326 CA GLU B 17 9.607 7.560 18.625 1.00 0.00 C ATOM 1327 C GLU B 17 8.089 7.733 18.827 1.00 0.00 C ATOM 1328 O GLU B 17 7.504 7.118 19.724 1.00 0.00 O ATOM 1329 CB GLU B 17 9.877 6.420 17.627 1.00 0.00 C ATOM 1330 CG GLU B 17 11.354 6.285 17.231 1.00 0.00 C ATOM 1331 CD GLU B 17 11.578 5.120 16.246 1.00 0.00 C ATOM 1332 OE1 GLU B 17 11.097 5.194 15.089 1.00 0.00 O ATOM 1333 OE2 GLU B 17 12.245 4.124 16.620 1.00 0.00 O1- ATOM 0 H GLU B 17 9.827 6.645 20.489 1.00 0.00 H new ATOM 0 HA GLU B 17 10.007 8.485 18.211 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.539 5.480 18.063 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.283 6.587 16.729 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.695 7.215 16.777 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.957 6.126 18.125 1.00 0.00 H new ATOM 1340 N ILE B 18 7.447 8.558 17.988 1.00 0.00 N ATOM 1341 CA ILE B 18 5.998 8.838 18.014 1.00 0.00 C ATOM 1342 C ILE B 18 5.446 8.732 16.588 1.00 0.00 C ATOM 1343 O ILE B 18 5.905 9.449 15.702 1.00 0.00 O ATOM 1344 CB ILE B 18 5.711 10.243 18.610 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.234 10.400 20.055 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.201 10.566 18.569 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.368 11.864 20.490 1.00 0.00 C ATOM 0 H ILE B 18 7.933 9.066 17.249 1.00 0.00 H new ATOM 0 HA ILE B 18 5.503 8.106 18.653 1.00 0.00 H new ATOM 0 HB ILE B 18 6.253 10.952 17.984 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.558 9.885 20.738 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.205 9.912 20.139 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.029 11.556 18.992 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.853 10.548 17.536 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.654 9.823 19.149 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.740 11.907 21.514 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.066 12.378 19.829 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.394 12.350 20.437 1.00 0.00 H new ATOM 1359 N GLY B 19 4.461 7.856 16.359 1.00 0.00 N ATOM 1360 CA GLY B 19 3.813 7.655 15.055 1.00 0.00 C ATOM 1361 C GLY B 19 2.582 8.533 14.801 1.00 0.00 C ATOM 1362 O GLY B 19 2.067 9.203 15.704 1.00 0.00 O ATOM 0 H GLY B 19 4.083 7.253 17.090 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.544 7.845 14.270 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.518 6.609 14.970 1.00 0.00 H new ATOM 1366 N ASP B 20 2.084 8.499 13.555 1.00 0.00 N ATOM 1367 CA ASP B 20 0.839 9.147 13.094 1.00 0.00 C ATOM 1368 C ASP B 20 0.769 10.673 13.351 1.00 0.00 C ATOM 1369 O ASP B 20 -0.291 11.229 13.648 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.406 8.384 13.601 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.382 6.855 13.384 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -1.117 6.144 14.113 1.00 0.00 O ATOM 1373 OD2 ASP B 20 0.331 6.346 12.484 1.00 0.00 O1- ATOM 0 H ASP B 20 2.558 7.997 12.804 1.00 0.00 H new ATOM 0 HA ASP B 20 0.850 9.076 12.006 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.522 8.580 14.667 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.287 8.790 13.104 1.00 0.00 H new ATOM 1378 N VAL B 21 1.909 11.365 13.277 1.00 0.00 N ATOM 1379 CA VAL B 21 2.077 12.804 13.560 1.00 0.00 C ATOM 1380 C VAL B 21 1.500 13.675 12.443 1.00 0.00 C ATOM 1381 O VAL B 21 1.824 13.467 11.268 1.00 0.00 O ATOM 1382 CB VAL B 21 3.564 13.135 13.792 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.797 14.626 14.043 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.113 12.363 15.005 1.00 0.00 C ATOM 0 H VAL B 21 2.786 10.921 13.005 1.00 0.00 H new ATOM 0 HA VAL B 21 1.519 13.028 14.469 1.00 0.00 H new ATOM 0 HB VAL B 21 4.083 12.841 12.880 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.860 14.807 14.201 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.456 15.198 13.180 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.241 14.937 14.927 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.164 12.612 15.150 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.549 12.637 15.897 1.00 0.00 H new ATOM 0 HG23 VAL B 21 4.015 11.292 14.829 1.00 0.00 H new ATOM 1394 N LEU B 22 0.686 14.675 12.806 1.00 0.00 N ATOM 1395 CA LEU B 22 0.145 15.696 11.894 1.00 0.00 C ATOM 1396 C LEU B 22 0.854 17.060 11.981 1.00 0.00 C ATOM 1397 O LEU B 22 0.831 17.804 11.002 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.367 15.884 12.127 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.261 14.658 11.886 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.727 15.099 11.965 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.045 14.002 10.519 1.00 0.00 C ATOM 0 H LEU B 22 0.376 14.801 13.769 1.00 0.00 H new ATOM 0 HA LEU B 22 0.331 15.315 10.890 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.514 16.215 13.155 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.713 16.690 11.480 1.00 0.00 H new ATOM 0 HG LEU B 22 -2.001 13.925 12.649 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.375 14.239 11.796 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.929 15.517 12.951 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.921 15.855 11.204 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.709 13.144 10.418 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.262 14.723 9.731 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.010 13.672 10.433 1.00 0.00 H new ATOM 1413 N GLU B 23 1.514 17.378 13.096 1.00 0.00 N ATOM 1414 CA GLU B 23 2.362 18.578 13.224 1.00 0.00 C ATOM 1415 C GLU B 23 3.538 18.401 14.198 1.00 0.00 C ATOM 1416 O GLU B 23 3.437 17.668 15.188 1.00 0.00 O ATOM 1417 CB GLU B 23 1.523 19.824 13.594 1.00 0.00 C ATOM 1418 CG GLU B 23 0.846 19.769 14.974 1.00 0.00 C ATOM 1419 CD GLU B 23 0.285 21.145 15.388 1.00 0.00 C ATOM 1420 OE1 GLU B 23 0.746 21.709 16.414 1.00 0.00 O ATOM 1421 OE2 GLU B 23 -0.630 21.664 14.702 1.00 0.00 O1- ATOM 0 H GLU B 23 1.479 16.811 13.943 1.00 0.00 H new ATOM 0 HA GLU B 23 2.803 18.732 12.239 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.169 20.701 13.558 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.754 19.963 12.835 1.00 0.00 H new ATOM 0 HG2 GLU B 23 0.038 19.037 14.954 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.565 19.430 15.719 1.00 0.00 H new ATOM 1428 N VAL B 24 4.632 19.123 13.934 1.00 0.00 N ATOM 1429 CA VAL B 24 5.798 19.279 14.821 1.00 0.00 C ATOM 1430 C VAL B 24 6.200 20.754 14.858 1.00 0.00 C ATOM 1431 O VAL B 24 6.294 21.391 13.804 1.00 0.00 O ATOM 1432 CB VAL B 24 7.005 18.413 14.381 1.00 0.00 C ATOM 1433 CG1 VAL B 24 8.147 18.488 15.409 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.631 16.940 14.212 1.00 0.00 C ATOM 0 H VAL B 24 4.737 19.638 13.060 1.00 0.00 H new ATOM 0 HA VAL B 24 5.509 18.934 15.814 1.00 0.00 H new ATOM 0 HB VAL B 24 7.326 18.818 13.421 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.980 17.870 15.073 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.479 19.521 15.509 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.792 18.125 16.374 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.510 16.375 13.903 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.262 16.547 15.159 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.854 16.847 13.453 1.00 0.00 H new ATOM 1444 N ARG B 25 6.438 21.305 16.055 1.00 0.00 N ATOM 1445 CA ARG B 25 6.721 22.738 16.266 1.00 0.00 C ATOM 1446 C ARG B 25 7.788 22.970 17.331 1.00 0.00 C ATOM 1447 O ARG B 25 7.692 22.430 18.429 1.00 0.00 O ATOM 1448 CB ARG B 25 5.432 23.482 16.658 1.00 0.00 C ATOM 1449 CG ARG B 25 4.349 23.433 15.575 1.00 0.00 C ATOM 1450 CD ARG B 25 3.160 24.357 15.873 1.00 0.00 C ATOM 1451 NE ARG B 25 2.419 23.931 17.069 1.00 0.00 N ATOM 1452 CZ ARG B 25 2.558 24.385 18.302 1.00 0.00 C ATOM 1453 NH1 ARG B 25 3.385 25.344 18.607 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 1.848 23.885 19.267 1.00 0.00 N ATOM 0 H ARG B 25 6.440 20.763 16.919 1.00 0.00 H new ATOM 0 HA ARG B 25 7.105 23.128 15.323 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.037 23.049 17.577 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.673 24.523 16.874 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.788 23.712 14.617 1.00 0.00 H new ATOM 0 HG3 ARG B 25 3.990 22.409 15.474 1.00 0.00 H new ATOM 0 HD2 ARG B 25 3.519 25.377 16.013 1.00 0.00 H new ATOM 0 HD3 ARG B 25 2.487 24.371 15.015 1.00 0.00 H new ATOM 0 HE ARG B 25 1.718 23.203 16.931 1.00 0.00 H new ATOM 0 HH11 ARG B 25 3.957 25.775 17.880 1.00 0.00 H new ATOM 0 HH12 ARG B 25 3.461 25.664 19.572 1.00 0.00 H new ATOM 0 HH21 ARG B 25 1.180 23.139 19.075 1.00 0.00 H new ATOM 0 HH22 ARG B 25 1.958 24.238 20.217 1.00 0.00 H new ATOM 1468 N ALA B 26 8.775 23.808 17.030 1.00 0.00 N ATOM 1469 CA ALA B 26 9.732 24.336 17.997 1.00 0.00 C ATOM 1470 C ALA B 26 9.168 25.604 18.676 1.00 0.00 C ATOM 1471 O ALA B 26 8.908 26.623 18.031 1.00 0.00 O ATOM 1472 CB ALA B 26 11.062 24.600 17.274 1.00 0.00 C ATOM 0 H ALA B 26 8.936 24.148 16.082 1.00 0.00 H new ATOM 0 HA ALA B 26 9.910 23.613 18.793 1.00 0.00 H new ATOM 0 HB1 ALA B 26 11.789 24.995 17.983 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.437 23.668 16.851 1.00 0.00 H new ATOM 0 HB3 ALA B 26 10.904 25.324 16.475 1.00 0.00 H new ATOM 1478 N GLU B 27 8.998 25.540 19.997 1.00 0.00 N ATOM 1479 CA GLU B 27 8.742 26.685 20.883 1.00 0.00 C ATOM 1480 C GLU B 27 10.056 27.411 21.254 1.00 0.00 C ATOM 1481 O GLU B 27 11.128 27.076 20.746 1.00 0.00 O ATOM 1482 CB GLU B 27 8.005 26.191 22.148 1.00 0.00 C ATOM 1483 CG GLU B 27 6.631 25.533 21.904 1.00 0.00 C ATOM 1484 CD GLU B 27 5.519 26.490 21.422 1.00 0.00 C ATOM 1485 OE1 GLU B 27 5.727 27.724 21.326 1.00 0.00 O ATOM 1486 OE2 GLU B 27 4.398 25.995 21.149 1.00 0.00 O1- ATOM 0 H GLU B 27 9.036 24.655 20.503 1.00 0.00 H new ATOM 0 HA GLU B 27 8.115 27.407 20.360 1.00 0.00 H new ATOM 0 HB2 GLU B 27 8.645 25.474 22.663 1.00 0.00 H new ATOM 0 HB3 GLU B 27 7.868 27.037 22.821 1.00 0.00 H new ATOM 0 HG2 GLU B 27 6.752 24.741 21.165 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.304 25.059 22.829 1.00 0.00 H new ATOM 1493 N GLY B 28 10.002 28.401 22.157 1.00 0.00 N ATOM 1494 CA GLY B 28 11.166 29.171 22.622 1.00 0.00 C ATOM 1495 C GLY B 28 12.237 28.370 23.386 1.00 0.00 C ATOM 1496 O GLY B 28 13.339 28.883 23.607 1.00 0.00 O ATOM 0 H GLY B 28 9.129 28.695 22.594 1.00 0.00 H new ATOM 0 HA2 GLY B 28 11.637 29.639 21.758 1.00 0.00 H new ATOM 0 HA3 GLY B 28 10.812 29.975 23.267 1.00 0.00 H new ATOM 1500 N GLY B 29 11.957 27.117 23.772 1.00 0.00 N ATOM 1501 CA GLY B 29 12.902 26.219 24.462 1.00 0.00 C ATOM 1502 C GLY B 29 12.495 24.738 24.499 1.00 0.00 C ATOM 1503 O GLY B 29 12.919 24.010 25.399 1.00 0.00 O ATOM 0 H GLY B 29 11.046 26.687 23.611 1.00 0.00 H new ATOM 0 HA2 GLY B 29 13.874 26.299 23.976 1.00 0.00 H new ATOM 0 HA3 GLY B 29 13.028 26.569 25.486 1.00 0.00 H new ATOM 1507 N ALA B 30 11.643 24.282 23.572 1.00 0.00 N ATOM 1508 CA ALA B 30 11.071 22.933 23.539 1.00 0.00 C ATOM 1509 C ALA B 30 10.585 22.552 22.129 1.00 0.00 C ATOM 1510 O ALA B 30 10.329 23.427 21.304 1.00 0.00 O ATOM 1511 CB ALA B 30 9.897 22.881 24.529 1.00 0.00 C ATOM 0 H ALA B 30 11.323 24.864 22.798 1.00 0.00 H new ATOM 0 HA ALA B 30 11.844 22.217 23.818 1.00 0.00 H new ATOM 0 HB1 ALA B 30 9.457 21.884 24.519 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.257 23.109 25.532 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.143 23.613 24.238 1.00 0.00 H new ATOM 1517 N VAL B 31 10.376 21.260 21.869 1.00 0.00 N ATOM 1518 CA VAL B 31 9.604 20.769 20.702 1.00 0.00 C ATOM 1519 C VAL B 31 8.278 20.144 21.154 1.00 0.00 C ATOM 1520 O VAL B 31 8.242 19.383 22.124 1.00 0.00 O ATOM 1521 CB VAL B 31 10.415 19.811 19.805 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.589 19.271 18.633 1.00 0.00 C ATOM 1523 CG2 VAL B 31 11.622 20.535 19.189 1.00 0.00 C ATOM 0 H VAL B 31 10.736 20.511 22.461 1.00 0.00 H new ATOM 0 HA VAL B 31 9.378 21.635 20.080 1.00 0.00 H new ATOM 0 HB VAL B 31 10.724 18.991 20.453 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.205 18.602 18.032 1.00 0.00 H new ATOM 0 HG12 VAL B 31 8.727 18.725 19.016 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.247 20.102 18.016 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.180 19.841 18.560 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.274 21.373 18.585 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.269 20.905 19.984 1.00 0.00 H new ATOM 1533 N ARG B 32 7.191 20.454 20.437 1.00 0.00 N ATOM 1534 CA ARG B 32 5.836 19.904 20.614 1.00 0.00 C ATOM 1535 C ARG B 32 5.402 19.113 19.382 1.00 0.00 C ATOM 1536 O ARG B 32 5.796 19.437 18.257 1.00 0.00 O ATOM 1537 CB ARG B 32 4.842 21.038 20.925 1.00 0.00 C ATOM 1538 CG ARG B 32 5.104 21.685 22.295 1.00 0.00 C ATOM 1539 CD ARG B 32 4.297 22.973 22.480 1.00 0.00 C ATOM 1540 NE ARG B 32 2.853 22.744 22.685 1.00 0.00 N ATOM 1541 CZ ARG B 32 1.912 23.665 22.692 1.00 0.00 C ATOM 1542 NH1 ARG B 32 2.131 24.915 22.384 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 0.700 23.310 22.983 1.00 0.00 N ATOM 0 H ARG B 32 7.232 21.132 19.676 1.00 0.00 H new ATOM 0 HA ARG B 32 5.848 19.215 21.458 1.00 0.00 H new ATOM 0 HB2 ARG B 32 4.908 21.799 20.148 1.00 0.00 H new ATOM 0 HB3 ARG B 32 3.826 20.644 20.900 1.00 0.00 H new ATOM 0 HG2 ARG B 32 4.848 20.979 23.085 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.167 21.905 22.396 1.00 0.00 H new ATOM 0 HD2 ARG B 32 4.694 23.520 23.335 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.435 23.607 21.604 1.00 0.00 H new ATOM 0 HE ARG B 32 2.556 21.780 22.836 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.069 25.219 22.121 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.364 25.588 22.406 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.492 22.335 23.200 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.046 24.005 22.995 1.00 0.00 H new ATOM 1557 N VAL B 33 4.594 18.078 19.606 1.00 0.00 N ATOM 1558 CA VAL B 33 4.192 17.055 18.625 1.00 0.00 C ATOM 1559 C VAL B 33 2.724 16.689 18.840 1.00 0.00 C ATOM 1560 O VAL B 33 2.323 16.468 19.982 1.00 0.00 O ATOM 1561 CB VAL B 33 5.065 15.786 18.778 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.743 14.714 17.730 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.569 16.085 18.710 1.00 0.00 C ATOM 0 H VAL B 33 4.177 17.916 20.523 1.00 0.00 H new ATOM 0 HA VAL B 33 4.329 17.459 17.622 1.00 0.00 H new ATOM 0 HB VAL B 33 4.818 15.407 19.770 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.386 13.848 17.886 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.700 14.414 17.825 1.00 0.00 H new ATOM 0 HG13 VAL B 33 4.915 15.118 16.732 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.130 15.157 18.823 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.807 16.538 17.747 1.00 0.00 H new ATOM 0 HG23 VAL B 33 6.840 16.773 19.511 1.00 0.00 H new ATOM 1573 N THR B 34 1.920 16.589 17.774 1.00 0.00 N ATOM 1574 CA THR B 34 0.494 16.192 17.868 1.00 0.00 C ATOM 1575 C THR B 34 0.114 15.133 16.829 1.00 0.00 C ATOM 1576 O THR B 34 0.464 15.260 15.651 1.00 0.00 O ATOM 1577 CB THR B 34 -0.451 17.405 17.801 1.00 0.00 C ATOM 1578 OG1 THR B 34 -0.135 18.357 18.802 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.920 17.048 18.027 1.00 0.00 C ATOM 0 H THR B 34 2.231 16.779 16.821 1.00 0.00 H new ATOM 0 HA THR B 34 0.370 15.736 18.850 1.00 0.00 H new ATOM 0 HB THR B 34 -0.312 17.798 16.794 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.749 19.118 18.736 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.527 17.951 17.966 1.00 0.00 H new ATOM 0 HG22 THR B 34 -2.244 16.340 17.264 1.00 0.00 H new ATOM 0 HG23 THR B 34 -2.038 16.598 19.013 1.00 0.00 H new ATOM 1587 N THR B 35 -0.595 14.083 17.250 1.00 0.00 N ATOM 1588 CA THR B 35 -1.010 12.946 16.394 1.00 0.00 C ATOM 1589 C THR B 35 -2.353 13.151 15.676 1.00 0.00 C ATOM 1590 O THR B 35 -3.114 14.077 15.963 1.00 0.00 O ATOM 1591 CB THR B 35 -1.061 11.631 17.195 1.00 0.00 C ATOM 1592 OG1 THR B 35 -2.176 11.635 18.063 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.208 11.356 18.008 1.00 0.00 C ATOM 0 H THR B 35 -0.909 13.988 18.216 1.00 0.00 H new ATOM 0 HA THR B 35 -0.242 12.889 15.623 1.00 0.00 H new ATOM 0 HB THR B 35 -1.146 10.833 16.458 1.00 0.00 H new ATOM 0 HG1 THR B 35 -2.201 10.795 18.567 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.099 10.414 18.545 1.00 0.00 H new ATOM 0 HG22 THR B 35 1.064 11.294 17.336 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.365 12.165 18.722 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.679 12.222 14.765 1.00 0.00 N ATOM 1602 CA LEU B 36 -3.972 12.039 14.103 1.00 0.00 C ATOM 1603 C LEU B 36 -5.156 11.923 15.083 1.00 0.00 C ATOM 1604 O LEU B 36 -6.283 12.286 14.741 1.00 0.00 O ATOM 1605 CB LEU B 36 -3.826 10.778 13.219 1.00 0.00 C ATOM 1606 CG LEU B 36 -5.094 10.291 12.499 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.662 11.330 11.535 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -4.775 9.031 11.692 1.00 0.00 C ATOM 0 H LEU B 36 -1.996 11.532 14.452 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.213 12.920 13.508 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.062 10.976 12.467 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.456 9.965 13.844 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.836 10.096 13.274 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.556 10.931 11.056 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.919 12.235 12.085 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.917 11.566 10.775 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.675 8.688 11.183 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.004 9.256 10.955 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -4.418 8.250 12.363 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.904 11.455 16.308 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.906 11.251 17.362 1.00 0.00 C ATOM 1622 C PHE B 37 -5.884 12.375 18.415 1.00 0.00 C ATOM 1623 O PHE B 37 -6.426 12.215 19.512 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.745 9.832 17.926 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.778 8.782 16.828 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -6.997 8.470 16.190 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -4.584 8.199 16.357 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -7.020 7.614 15.080 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -4.609 7.330 15.252 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.825 7.048 14.607 1.00 0.00 C ATOM 0 H PHE B 37 -3.963 11.198 16.606 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.910 11.321 16.944 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.802 9.761 18.469 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.541 9.633 18.643 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -7.919 8.894 16.559 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -3.647 8.421 16.846 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -7.956 7.390 14.589 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -3.693 6.879 14.899 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.841 6.395 13.747 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.286 13.526 18.080 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.142 14.720 18.930 1.00 0.00 C ATOM 1642 C ASP B 38 -4.369 14.489 20.251 1.00 0.00 C ATOM 1643 O ASP B 38 -4.488 15.278 21.197 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.495 15.440 19.133 1.00 0.00 C ATOM 1645 CG ASP B 38 -7.260 15.755 17.835 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -6.634 16.064 16.791 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -8.514 15.746 17.865 1.00 0.00 O1- ATOM 0 H ASP B 38 -4.866 13.658 17.160 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.494 15.396 18.372 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.128 14.822 19.770 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -6.318 16.372 19.669 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.567 13.423 20.342 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.659 13.204 21.472 1.00 0.00 C ATOM 1654 C GLU B 39 -1.425 14.113 21.342 1.00 0.00 C ATOM 1655 O GLU B 39 -0.717 14.077 20.331 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.230 11.727 21.583 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.399 10.742 21.759 1.00 0.00 C ATOM 1658 CD GLU B 39 -4.267 10.993 23.014 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -3.753 11.512 24.035 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -5.468 10.627 23.012 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.529 12.689 19.635 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.197 13.458 22.386 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.672 11.454 20.688 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.550 11.620 22.428 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.036 10.793 20.876 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.000 9.729 21.806 1.00 0.00 H new ATOM 1667 N GLU B 40 -1.183 14.947 22.356 1.00 0.00 N ATOM 1668 CA GLU B 40 -0.043 15.876 22.406 1.00 0.00 C ATOM 1669 C GLU B 40 1.139 15.303 23.208 1.00 0.00 C ATOM 1670 O GLU B 40 0.957 14.691 24.266 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.506 17.242 22.948 1.00 0.00 C ATOM 1672 CG GLU B 40 0.649 18.262 23.028 1.00 0.00 C ATOM 1673 CD GLU B 40 0.205 19.691 23.378 1.00 0.00 C ATOM 1674 OE1 GLU B 40 -0.979 19.934 23.712 1.00 0.00 O ATOM 1675 OE2 GLU B 40 1.066 20.599 23.333 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.781 14.999 23.181 1.00 0.00 H new ATOM 0 HA GLU B 40 0.329 16.018 21.391 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -1.293 17.637 22.306 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.940 17.109 23.939 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.367 17.923 23.775 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.170 18.280 22.071 1.00 0.00 H new ATOM 1682 N HIS B 41 2.359 15.559 22.728 1.00 0.00 N ATOM 1683 CA HIS B 41 3.630 15.263 23.408 1.00 0.00 C ATOM 1684 C HIS B 41 4.544 16.499 23.359 1.00 0.00 C ATOM 1685 O HIS B 41 4.495 17.266 22.396 1.00 0.00 O ATOM 1686 CB HIS B 41 4.306 14.047 22.758 1.00 0.00 C ATOM 1687 CG HIS B 41 3.408 12.841 22.582 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.188 11.844 23.538 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.669 12.562 21.467 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.319 10.984 22.975 1.00 0.00 C ATOM 1691 NE2 HIS B 41 1.991 11.393 21.734 1.00 0.00 N ATOM 0 H HIS B 41 2.498 15.996 21.817 1.00 0.00 H new ATOM 0 HA HIS B 41 3.435 15.020 24.453 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.691 14.342 21.782 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.164 13.758 23.365 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.625 13.143 20.557 1.00 0.00 H new ATOM 0 HE1 HIS B 41 1.939 10.092 23.451 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.349 10.918 21.100 1.00 0.00 H new ATOM 1699 N ALA B 42 5.378 16.697 24.382 1.00 0.00 N ATOM 1700 CA ALA B 42 6.255 17.864 24.512 1.00 0.00 C ATOM 1701 C ALA B 42 7.589 17.519 25.195 1.00 0.00 C ATOM 1702 O ALA B 42 7.618 16.765 26.171 1.00 0.00 O ATOM 1703 CB ALA B 42 5.503 18.962 25.277 1.00 0.00 C ATOM 0 H ALA B 42 5.465 16.040 25.157 1.00 0.00 H new ATOM 0 HA ALA B 42 6.513 18.221 23.515 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.144 19.837 25.381 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.602 19.236 24.728 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.228 18.594 26.265 1.00 0.00 H new ATOM 1709 N PHE B 43 8.681 18.102 24.692 1.00 0.00 N ATOM 1710 CA PHE B 43 10.057 17.753 25.061 1.00 0.00 C ATOM 1711 C PHE B 43 10.929 19.020 25.182 1.00 0.00 C ATOM 1712 O PHE B 43 11.247 19.637 24.158 1.00 0.00 O ATOM 1713 CB PHE B 43 10.615 16.782 24.008 1.00 0.00 C ATOM 1714 CG PHE B 43 9.798 15.513 23.850 1.00 0.00 C ATOM 1715 CD1 PHE B 43 8.817 15.432 22.844 1.00 0.00 C ATOM 1716 CD2 PHE B 43 9.979 14.443 24.749 1.00 0.00 C ATOM 1717 CE1 PHE B 43 8.004 14.289 22.749 1.00 0.00 C ATOM 1718 CE2 PHE B 43 9.173 13.298 24.648 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.177 13.223 23.655 1.00 0.00 C ATOM 0 H PHE B 43 8.632 18.849 23.999 1.00 0.00 H new ATOM 0 HA PHE B 43 10.068 17.267 26.037 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.665 17.293 23.046 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.636 16.514 24.280 1.00 0.00 H new ATOM 0 HD1 PHE B 43 8.689 16.246 22.146 1.00 0.00 H new ATOM 0 HD2 PHE B 43 10.738 14.504 25.515 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.247 14.228 21.982 1.00 0.00 H new ATOM 0 HE2 PHE B 43 9.317 12.475 25.332 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.546 12.349 23.588 1.00 0.00 H new ATOM 1729 N PRO B 44 11.321 19.443 26.402 1.00 0.00 N ATOM 1730 CA PRO B 44 12.157 20.626 26.596 1.00 0.00 C ATOM 1731 C PRO B 44 13.605 20.389 26.138 1.00 0.00 C ATOM 1732 O PRO B 44 14.141 19.281 26.231 1.00 0.00 O ATOM 1733 CB PRO B 44 12.070 20.935 28.093 1.00 0.00 C ATOM 1734 CG PRO B 44 11.836 19.567 28.727 1.00 0.00 C ATOM 1735 CD PRO B 44 10.982 18.847 27.691 1.00 0.00 C ATOM 0 HA PRO B 44 11.812 21.466 25.993 1.00 0.00 H new ATOM 0 HB2 PRO B 44 12.986 21.396 28.461 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.255 21.624 28.314 1.00 0.00 H new ATOM 0 HG2 PRO B 44 12.774 19.043 28.911 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.323 19.649 29.685 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.188 17.777 27.692 1.00 0.00 H new ATOM 0 HD3 PRO B 44 9.921 18.967 27.909 1.00 0.00 H new ATOM 1743 N GLY B 45 14.255 21.459 25.667 1.00 0.00 N ATOM 1744 CA GLY B 45 15.681 21.462 25.327 1.00 0.00 C ATOM 1745 C GLY B 45 16.042 20.781 24.002 1.00 0.00 C ATOM 1746 O GLY B 45 17.206 20.411 23.803 1.00 0.00 O ATOM 0 H GLY B 45 13.799 22.358 25.510 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.026 22.495 25.291 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.230 20.970 26.130 1.00 0.00 H new ATOM 1750 N LEU B 46 15.062 20.603 23.112 1.00 0.00 N ATOM 1751 CA LEU B 46 15.228 20.066 21.755 1.00 0.00 C ATOM 1752 C LEU B 46 14.939 21.128 20.674 1.00 0.00 C ATOM 1753 O LEU B 46 14.297 22.152 20.935 1.00 0.00 O ATOM 1754 CB LEU B 46 14.333 18.827 21.546 1.00 0.00 C ATOM 1755 CG LEU B 46 14.555 17.648 22.517 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.698 16.462 22.070 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.005 17.155 22.563 1.00 0.00 C ATOM 0 H LEU B 46 14.092 20.838 23.324 1.00 0.00 H new ATOM 0 HA LEU B 46 16.272 19.769 21.651 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.292 19.141 21.622 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.483 18.465 20.529 1.00 0.00 H new ATOM 0 HG LEU B 46 14.286 18.018 23.506 1.00 0.00 H new ATOM 0 HD11 LEU B 46 13.850 15.626 22.752 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.647 16.750 22.077 1.00 0.00 H new ATOM 0 HD13 LEU B 46 13.986 16.165 21.062 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.085 16.326 23.266 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.307 16.820 21.571 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.656 17.968 22.885 1.00 0.00 H new ATOM 1769 N ALA B 47 15.378 20.835 19.448 1.00 0.00 N ATOM 1770 CA ALA B 47 15.083 21.558 18.210 1.00 0.00 C ATOM 1771 C ALA B 47 14.865 20.562 17.047 1.00 0.00 C ATOM 1772 O ALA B 47 15.142 19.369 17.182 1.00 0.00 O ATOM 1773 CB ALA B 47 16.233 22.538 17.928 1.00 0.00 C ATOM 0 H ALA B 47 15.988 20.035 19.283 1.00 0.00 H new ATOM 0 HA ALA B 47 14.160 22.129 18.312 1.00 0.00 H new ATOM 0 HB1 ALA B 47 16.028 23.085 17.008 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.323 23.241 18.756 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.165 21.984 17.820 1.00 0.00 H new ATOM 1779 N ILE B 48 14.341 21.028 15.909 1.00 0.00 N ATOM 1780 CA ILE B 48 14.132 20.194 14.709 1.00 0.00 C ATOM 1781 C ILE B 48 15.409 20.180 13.846 1.00 0.00 C ATOM 1782 O ILE B 48 15.894 21.234 13.425 1.00 0.00 O ATOM 1783 CB ILE B 48 12.890 20.671 13.920 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.604 20.658 14.783 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.685 19.786 12.675 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.461 21.485 14.182 1.00 0.00 C ATOM 0 H ILE B 48 14.047 21.997 15.788 1.00 0.00 H new ATOM 0 HA ILE B 48 13.933 19.167 15.015 1.00 0.00 H new ATOM 0 HB ILE B 48 13.076 21.702 13.620 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.270 19.628 14.910 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.837 21.042 15.776 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.808 20.129 12.125 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.564 19.851 12.034 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.537 18.751 12.984 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.591 21.433 14.837 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.777 22.523 14.081 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.201 21.088 13.201 1.00 0.00 H new ATOM 1798 N GLY B 49 15.945 18.986 13.567 1.00 0.00 N ATOM 1799 CA GLY B 49 17.160 18.753 12.773 1.00 0.00 C ATOM 1800 C GLY B 49 16.905 18.398 11.302 1.00 0.00 C ATOM 1801 O GLY B 49 17.614 18.887 10.423 1.00 0.00 O ATOM 0 H GLY B 49 15.527 18.118 13.902 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.782 19.647 12.815 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.730 17.946 13.234 1.00 0.00 H new ATOM 1805 N ARG B 50 15.866 17.599 11.009 1.00 0.00 N ATOM 1806 CA ARG B 50 15.353 17.339 9.642 1.00 0.00 C ATOM 1807 C ARG B 50 13.833 17.203 9.620 1.00 0.00 C ATOM 1808 O ARG B 50 13.238 16.703 10.573 1.00 0.00 O ATOM 1809 CB ARG B 50 15.949 16.073 8.993 1.00 0.00 C ATOM 1810 CG ARG B 50 17.469 16.057 8.755 1.00 0.00 C ATOM 1811 CD ARG B 50 17.871 15.035 7.673 1.00 0.00 C ATOM 1812 NE ARG B 50 17.295 13.691 7.902 1.00 0.00 N ATOM 1813 CZ ARG B 50 16.474 13.022 7.107 1.00 0.00 C ATOM 1814 NH1 ARG B 50 16.113 13.424 5.924 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 15.964 11.887 7.488 1.00 0.00 N ATOM 0 H ARG B 50 15.343 17.101 11.729 1.00 0.00 H new ATOM 0 HA ARG B 50 15.665 18.210 9.065 1.00 0.00 H new ATOM 0 HB2 ARG B 50 15.696 15.219 9.622 1.00 0.00 H new ATOM 0 HB3 ARG B 50 15.455 15.920 8.034 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.800 17.051 8.456 1.00 0.00 H new ATOM 0 HG3 ARG B 50 17.980 15.818 9.688 1.00 0.00 H new ATOM 0 HD2 ARG B 50 17.548 15.401 6.698 1.00 0.00 H new ATOM 0 HD3 ARG B 50 18.958 14.957 7.641 1.00 0.00 H new ATOM 0 HE ARG B 50 17.561 13.227 8.771 1.00 0.00 H new ATOM 0 HH11 ARG B 50 16.467 14.307 5.555 1.00 0.00 H new ATOM 0 HH12 ARG B 50 15.476 12.857 5.365 1.00 0.00 H new ATOM 0 HH21 ARG B 50 16.196 11.506 8.405 1.00 0.00 H new ATOM 0 HH22 ARG B 50 15.332 11.378 6.869 1.00 0.00 H new ATOM 1829 N VAL B 51 13.242 17.544 8.480 1.00 0.00 N ATOM 1830 CA VAL B 51 11.860 17.217 8.092 1.00 0.00 C ATOM 1831 C VAL B 51 11.905 16.508 6.737 1.00 0.00 C ATOM 1832 O VAL B 51 12.472 17.045 5.787 1.00 0.00 O ATOM 1833 CB VAL B 51 10.987 18.484 8.029 1.00 0.00 C ATOM 1834 CG1 VAL B 51 9.584 18.196 7.491 1.00 0.00 C ATOM 1835 CG2 VAL B 51 10.823 19.133 9.404 1.00 0.00 C ATOM 0 H VAL B 51 13.730 18.081 7.763 1.00 0.00 H new ATOM 0 HA VAL B 51 11.409 16.563 8.838 1.00 0.00 H new ATOM 0 HB VAL B 51 11.513 19.158 7.353 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.007 19.120 7.466 1.00 0.00 H new ATOM 0 HG12 VAL B 51 9.658 17.787 6.483 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.086 17.475 8.140 1.00 0.00 H new ATOM 0 HG21 VAL B 51 10.200 20.023 9.314 1.00 0.00 H new ATOM 0 HG22 VAL B 51 10.350 18.426 10.086 1.00 0.00 H new ATOM 0 HG23 VAL B 51 11.802 19.413 9.793 1.00 0.00 H new ATOM 1845 N ASP B 52 11.332 15.314 6.630 1.00 0.00 N ATOM 1846 CA ASP B 52 11.457 14.428 5.466 1.00 0.00 C ATOM 1847 C ASP B 52 10.080 13.917 5.032 1.00 0.00 C ATOM 1848 O ASP B 52 9.546 12.959 5.596 1.00 0.00 O ATOM 1849 CB ASP B 52 12.448 13.310 5.830 1.00 0.00 C ATOM 1850 CG ASP B 52 12.948 12.491 4.637 1.00 0.00 C ATOM 1851 OD1 ASP B 52 12.234 12.386 3.616 1.00 0.00 O ATOM 1852 OD2 ASP B 52 14.070 11.933 4.730 1.00 0.00 O1- ATOM 0 H ASP B 52 10.750 14.920 7.369 1.00 0.00 H new ATOM 0 HA ASP B 52 11.852 14.959 4.600 1.00 0.00 H new ATOM 0 HB2 ASP B 52 13.306 13.753 6.336 1.00 0.00 H new ATOM 0 HB3 ASP B 52 11.971 12.637 6.542 1.00 0.00 H new ATOM 1857 N LEU B 53 9.491 14.575 4.030 1.00 0.00 N ATOM 1858 CA LEU B 53 8.177 14.242 3.482 1.00 0.00 C ATOM 1859 C LEU B 53 8.223 12.957 2.639 1.00 0.00 C ATOM 1860 O LEU B 53 7.229 12.241 2.535 1.00 0.00 O ATOM 1861 CB LEU B 53 7.645 15.399 2.613 1.00 0.00 C ATOM 1862 CG LEU B 53 7.581 16.829 3.179 1.00 0.00 C ATOM 1863 CD1 LEU B 53 6.984 16.896 4.585 1.00 0.00 C ATOM 1864 CD2 LEU B 53 8.926 17.557 3.153 1.00 0.00 C ATOM 0 H LEU B 53 9.927 15.373 3.567 1.00 0.00 H new ATOM 0 HA LEU B 53 7.508 14.079 4.327 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.259 15.435 1.713 1.00 0.00 H new ATOM 0 HB3 LEU B 53 6.636 15.130 2.300 1.00 0.00 H new ATOM 0 HG LEU B 53 6.907 17.349 2.499 1.00 0.00 H new ATOM 0 HD11 LEU B 53 6.968 17.932 4.925 1.00 0.00 H new ATOM 0 HD12 LEU B 53 5.967 16.504 4.568 1.00 0.00 H new ATOM 0 HD13 LEU B 53 7.591 16.300 5.267 1.00 0.00 H new ATOM 0 HD21 LEU B 53 8.806 18.558 3.566 1.00 0.00 H new ATOM 0 HD22 LEU B 53 9.651 17.003 3.749 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.281 17.629 2.125 1.00 0.00 H new ATOM 1876 N ARG B 54 9.393 12.654 2.057 1.00 0.00 N ATOM 1877 CA ARG B 54 9.650 11.465 1.232 1.00 0.00 C ATOM 1878 C ARG B 54 9.631 10.197 2.083 1.00 0.00 C ATOM 1879 O ARG B 54 8.926 9.244 1.755 1.00 0.00 O ATOM 1880 CB ARG B 54 10.992 11.702 0.503 1.00 0.00 C ATOM 1881 CG ARG B 54 11.698 10.466 -0.085 1.00 0.00 C ATOM 1882 CD ARG B 54 13.178 10.773 -0.362 1.00 0.00 C ATOM 1883 NE ARG B 54 13.903 11.047 0.899 1.00 0.00 N ATOM 1884 CZ ARG B 54 14.929 11.858 1.079 1.00 0.00 C ATOM 1885 NH1 ARG B 54 15.564 12.451 0.107 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 15.358 12.116 2.273 1.00 0.00 N ATOM 0 H ARG B 54 10.215 13.251 2.151 1.00 0.00 H new ATOM 0 HA ARG B 54 8.867 11.313 0.489 1.00 0.00 H new ATOM 0 HB2 ARG B 54 10.816 12.409 -0.308 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.677 12.182 1.202 1.00 0.00 H new ATOM 0 HG2 ARG B 54 11.618 9.629 0.609 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.204 10.163 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.639 9.929 -0.876 1.00 0.00 H new ATOM 0 HD3 ARG B 54 13.257 11.633 -1.027 1.00 0.00 H new ATOM 0 HE ARG B 54 13.571 10.551 1.726 1.00 0.00 H new ATOM 0 HH11 ARG B 54 15.274 12.299 -0.859 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.351 13.067 0.313 1.00 0.00 H new ATOM 0 HH21 ARG B 54 14.903 11.692 3.081 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.151 12.743 2.405 1.00 0.00 H new ATOM 1900 N SER B 55 10.377 10.192 3.187 1.00 0.00 N ATOM 1901 CA SER B 55 10.450 9.064 4.126 1.00 0.00 C ATOM 1902 C SER B 55 9.315 9.065 5.169 1.00 0.00 C ATOM 1903 O SER B 55 9.034 8.021 5.763 1.00 0.00 O ATOM 1904 CB SER B 55 11.813 9.057 4.829 1.00 0.00 C ATOM 1905 OG SER B 55 12.867 8.980 3.877 1.00 0.00 O ATOM 0 H SER B 55 10.959 10.983 3.462 1.00 0.00 H new ATOM 0 HA SER B 55 10.328 8.156 3.536 1.00 0.00 H new ATOM 0 HB2 SER B 55 11.923 9.960 5.429 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.871 8.210 5.513 1.00 0.00 H new ATOM 0 HG SER B 55 13.422 9.786 3.937 1.00 0.00 H new ATOM 1911 N GLY B 56 8.661 10.207 5.399 1.00 0.00 N ATOM 1912 CA GLY B 56 7.627 10.386 6.422 1.00 0.00 C ATOM 1913 C GLY B 56 8.199 10.477 7.840 1.00 0.00 C ATOM 1914 O GLY B 56 7.702 9.808 8.750 1.00 0.00 O ATOM 0 H GLY B 56 8.841 11.056 4.864 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.062 11.292 6.205 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.926 9.553 6.372 1.00 0.00 H new ATOM 1918 N VAL B 57 9.266 11.265 8.040 1.00 0.00 N ATOM 1919 CA VAL B 57 10.048 11.336 9.293 1.00 0.00 C ATOM 1920 C VAL B 57 10.387 12.783 9.665 1.00 0.00 C ATOM 1921 O VAL B 57 10.698 13.598 8.797 1.00 0.00 O ATOM 1922 CB VAL B 57 11.331 10.471 9.200 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.163 10.505 10.493 1.00 0.00 C ATOM 1924 CG2 VAL B 57 11.021 8.997 8.899 1.00 0.00 C ATOM 0 H VAL B 57 9.622 11.890 7.317 1.00 0.00 H new ATOM 0 HA VAL B 57 9.424 10.930 10.090 1.00 0.00 H new ATOM 0 HB VAL B 57 11.899 10.912 8.381 1.00 0.00 H new ATOM 0 HG11 VAL B 57 13.049 9.882 10.372 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.466 11.531 10.704 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.564 10.126 11.321 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.952 8.433 8.844 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.395 8.587 9.692 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.495 8.923 7.947 1.00 0.00 H new ATOM 1934 N ILE B 58 10.384 13.100 10.962 1.00 0.00 N ATOM 1935 CA ILE B 58 10.918 14.346 11.537 1.00 0.00 C ATOM 1936 C ILE B 58 11.948 13.992 12.619 1.00 0.00 C ATOM 1937 O ILE B 58 11.629 13.302 13.593 1.00 0.00 O ATOM 1938 CB ILE B 58 9.797 15.272 12.075 1.00 0.00 C ATOM 1939 CG1 ILE B 58 8.734 15.612 11.008 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.410 16.584 12.597 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.526 14.667 11.032 1.00 0.00 C ATOM 0 H ILE B 58 9.996 12.476 11.670 1.00 0.00 H new ATOM 0 HA ILE B 58 11.412 14.916 10.750 1.00 0.00 H new ATOM 0 HB ILE B 58 9.300 14.727 12.877 1.00 0.00 H new ATOM 0 HG12 ILE B 58 8.390 16.635 11.161 1.00 0.00 H new ATOM 0 HG13 ILE B 58 9.195 15.576 10.021 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.618 17.231 12.974 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.112 16.363 13.401 1.00 0.00 H new ATOM 0 HG23 ILE B 58 10.935 17.088 11.786 1.00 0.00 H new ATOM 0 HD11 ILE B 58 6.818 14.962 10.258 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.859 13.646 10.849 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.041 14.721 12.007 1.00 0.00 H new ATOM 1953 N SER B 59 13.188 14.444 12.436 1.00 0.00 N ATOM 1954 CA SER B 59 14.307 14.157 13.337 1.00 0.00 C ATOM 1955 C SER B 59 14.544 15.327 14.297 1.00 0.00 C ATOM 1956 O SER B 59 14.757 16.461 13.861 1.00 0.00 O ATOM 1957 CB SER B 59 15.568 13.844 12.525 1.00 0.00 C ATOM 1958 OG SER B 59 16.638 13.506 13.389 1.00 0.00 O ATOM 0 H SER B 59 13.449 15.031 11.644 1.00 0.00 H new ATOM 0 HA SER B 59 14.059 13.282 13.938 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.372 13.020 11.839 1.00 0.00 H new ATOM 0 HB3 SER B 59 15.841 14.707 11.917 1.00 0.00 H new ATOM 0 HG SER B 59 17.437 13.307 12.858 1.00 0.00 H new ATOM 1964 N LEU B 60 14.500 15.066 15.603 1.00 0.00 N ATOM 1965 CA LEU B 60 14.744 16.047 16.666 1.00 0.00 C ATOM 1966 C LEU B 60 16.181 15.895 17.203 1.00 0.00 C ATOM 1967 O LEU B 60 16.722 14.790 17.296 1.00 0.00 O ATOM 1968 CB LEU B 60 13.708 15.878 17.795 1.00 0.00 C ATOM 1969 CG LEU B 60 12.296 16.432 17.532 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.646 15.954 16.235 1.00 0.00 C ATOM 1971 CD2 LEU B 60 11.370 16.042 18.692 1.00 0.00 C ATOM 0 H LEU B 60 14.287 14.136 15.965 1.00 0.00 H new ATOM 0 HA LEU B 60 14.637 17.052 16.258 1.00 0.00 H new ATOM 0 HB2 LEU B 60 13.619 14.815 18.018 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.100 16.360 18.691 1.00 0.00 H new ATOM 0 HG LEU B 60 12.426 17.510 17.442 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.655 16.398 16.139 1.00 0.00 H new ATOM 0 HD12 LEU B 60 12.262 16.254 15.387 1.00 0.00 H new ATOM 0 HD13 LEU B 60 11.557 14.868 16.252 1.00 0.00 H new ATOM 0 HD21 LEU B 60 10.370 16.434 18.507 1.00 0.00 H new ATOM 0 HD22 LEU B 60 11.325 14.956 18.772 1.00 0.00 H new ATOM 0 HD23 LEU B 60 11.756 16.459 19.622 1.00 0.00 H new ATOM 1983 N ILE B 61 16.784 17.031 17.560 1.00 0.00 N ATOM 1984 CA ILE B 61 18.176 17.164 18.021 1.00 0.00 C ATOM 1985 C ILE B 61 18.254 18.027 19.289 1.00 0.00 C ATOM 1986 O ILE B 61 17.357 18.817 19.574 1.00 0.00 O ATOM 1987 CB ILE B 61 19.089 17.717 16.899 1.00 0.00 C ATOM 1988 CG1 ILE B 61 18.739 19.166 16.481 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.086 16.783 15.674 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.757 20.183 17.002 1.00 0.00 C ATOM 0 H ILE B 61 16.297 17.927 17.536 1.00 0.00 H new ATOM 0 HA ILE B 61 18.542 16.169 18.275 1.00 0.00 H new ATOM 0 HB ILE B 61 20.095 17.751 17.318 1.00 0.00 H new ATOM 0 HG12 ILE B 61 18.692 19.227 15.394 1.00 0.00 H new ATOM 0 HG13 ILE B 61 17.748 19.421 16.858 1.00 0.00 H new ATOM 0 HG21 ILE B 61 19.735 17.195 14.901 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.450 15.798 15.967 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.071 16.694 15.286 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.467 21.184 16.682 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.786 20.144 18.091 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.744 19.946 16.604 1.00 0.00 H new ATOM 2002 N GLU B 62 19.322 17.884 20.079 1.00 0.00 N ATOM 2003 CA GLU B 62 19.499 18.623 21.335 1.00 0.00 C ATOM 2004 C GLU B 62 19.908 20.087 21.097 1.00 0.00 C ATOM 2005 O GLU B 62 20.901 20.360 20.415 1.00 0.00 O ATOM 2006 CB GLU B 62 20.518 17.913 22.240 1.00 0.00 C ATOM 2007 CG GLU B 62 20.056 16.509 22.660 1.00 0.00 C ATOM 2008 CD GLU B 62 20.779 16.049 23.935 1.00 0.00 C ATOM 2009 OE1 GLU B 62 20.493 16.621 25.018 1.00 0.00 O ATOM 2010 OE2 GLU B 62 21.628 15.128 23.864 1.00 0.00 O1- ATOM 0 H GLU B 62 20.092 17.250 19.866 1.00 0.00 H new ATOM 0 HA GLU B 62 18.533 18.640 21.839 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.472 17.837 21.718 1.00 0.00 H new ATOM 0 HB3 GLU B 62 20.690 18.517 23.131 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.979 16.512 22.830 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.249 15.802 21.853 1.00 0.00 H new ATOM 2017 N GLU B 63 19.162 21.033 21.674 1.00 0.00 N ATOM 2018 CA GLU B 63 19.386 22.483 21.569 1.00 0.00 C ATOM 2019 C GLU B 63 20.326 23.014 22.675 1.00 0.00 C ATOM 2020 O GLU B 63 20.193 22.638 23.841 1.00 0.00 O ATOM 2021 CB GLU B 63 18.019 23.192 21.610 1.00 0.00 C ATOM 2022 CG GLU B 63 18.120 24.676 21.228 1.00 0.00 C ATOM 2023 CD GLU B 63 16.802 25.457 21.376 1.00 0.00 C ATOM 2024 OE1 GLU B 63 15.924 25.079 22.190 1.00 0.00 O ATOM 2025 OE2 GLU B 63 16.675 26.517 20.715 1.00 0.00 O1- ATOM 0 H GLU B 63 18.353 20.804 22.251 1.00 0.00 H new ATOM 0 HA GLU B 63 19.887 22.694 20.624 1.00 0.00 H new ATOM 0 HB2 GLU B 63 17.331 22.690 20.929 1.00 0.00 H new ATOM 0 HB3 GLU B 63 17.597 23.105 22.611 1.00 0.00 H new ATOM 0 HG2 GLU B 63 18.881 25.148 21.849 1.00 0.00 H new ATOM 0 HG3 GLU B 63 18.460 24.751 20.195 1.00 0.00 H new ATOM 2032 N GLN B 64 21.246 23.931 22.336 1.00 0.00 N ATOM 2033 CA GLN B 64 22.246 24.498 23.255 1.00 0.00 C ATOM 2034 C GLN B 64 21.802 25.796 23.960 1.00 0.00 C ATOM 2035 O GLN B 64 22.526 26.342 24.794 1.00 0.00 O ATOM 2036 CB GLN B 64 23.592 24.687 22.517 1.00 0.00 C ATOM 2037 CG GLN B 64 24.318 23.370 22.183 1.00 0.00 C ATOM 2038 CD GLN B 64 23.616 22.531 21.121 1.00 0.00 C ATOM 2039 OE1 GLN B 64 23.164 23.020 20.093 1.00 0.00 O ATOM 2040 NE2 GLN B 64 23.477 21.238 21.319 1.00 0.00 N ATOM 0 H GLN B 64 21.317 24.308 21.391 1.00 0.00 H new ATOM 0 HA GLN B 64 22.367 23.774 24.061 1.00 0.00 H new ATOM 0 HB2 GLN B 64 23.413 25.235 21.592 1.00 0.00 H new ATOM 0 HB3 GLN B 64 24.247 25.305 23.131 1.00 0.00 H new ATOM 0 HG2 GLN B 64 25.328 23.599 21.842 1.00 0.00 H new ATOM 0 HG3 GLN B 64 24.415 22.779 23.094 1.00 0.00 H new ATOM 0 HE21 GLN B 64 23.846 20.810 22.168 1.00 0.00 H new ATOM 0 HE22 GLN B 64 23.001 20.664 20.623 1.00 0.00 H new ATOM 2049 N ASN B 65 20.606 26.292 23.643 1.00 0.00 N ATOM 2050 CA ASN B 65 19.998 27.490 24.212 1.00 0.00 C ATOM 2051 C ASN B 65 19.355 27.260 25.602 1.00 0.00 C ATOM 2052 O ASN B 65 19.020 28.226 26.293 1.00 0.00 O ATOM 2053 CB ASN B 65 18.965 27.996 23.193 1.00 0.00 C ATOM 2054 CG ASN B 65 19.579 28.493 21.893 1.00 0.00 C ATOM 2055 OD1 ASN B 65 20.626 29.131 21.870 1.00 0.00 O ATOM 2056 ND2 ASN B 65 18.977 28.208 20.760 1.00 0.00 N ATOM 0 H ASN B 65 20.007 25.846 22.948 1.00 0.00 H new ATOM 0 HA ASN B 65 20.775 28.232 24.392 1.00 0.00 H new ATOM 0 HB2 ASN B 65 18.265 27.191 22.969 1.00 0.00 H new ATOM 0 HB3 ASN B 65 18.389 28.804 23.644 1.00 0.00 H new ATOM 0 HD21 ASN B 65 19.381 28.517 19.876 1.00 0.00 H new ATOM 0 HD22 ASN B 65 18.106 27.678 20.765 1.00 0.00 H new ATOM 2063 N ARG B 66 19.152 25.993 25.993 1.00 0.00 N ATOM 2064 CA ARG B 66 18.489 25.576 27.244 1.00 0.00 C ATOM 2065 C ARG B 66 19.263 25.934 28.522 1.00 0.00 C ATOM 2066 O ARG B 66 18.604 26.233 29.546 1.00 0.00 O ATOM 2067 CB ARG B 66 18.136 24.080 27.154 1.00 0.00 C ATOM 2068 CG ARG B 66 19.347 23.130 27.202 1.00 0.00 C ATOM 2069 CD ARG B 66 18.910 21.711 26.833 1.00 0.00 C ATOM 2070 NE ARG B 66 19.989 20.732 27.013 1.00 0.00 N ATOM 2071 CZ ARG B 66 20.087 19.551 26.435 1.00 0.00 C ATOM 2072 NH1 ARG B 66 19.262 19.114 25.532 1.00 0.00 N1+ ATOM 2073 NH2 ARG B 66 21.031 18.727 26.765 1.00 0.00 N ATOM 2074 OXT ARG B 66 20.517 25.908 28.498 1.00 0.00 O1- ATOM 0 H ARG B 66 19.455 25.200 25.428 1.00 0.00 H new ATOM 0 HA ARG B 66 17.570 26.155 27.338 1.00 0.00 H new ATOM 0 HB2 ARG B 66 17.462 23.830 27.973 1.00 0.00 H new ATOM 0 HB3 ARG B 66 17.590 23.904 26.227 1.00 0.00 H new ATOM 0 HG2 ARG B 66 20.118 23.474 26.512 1.00 0.00 H new ATOM 0 HG3 ARG B 66 19.786 23.137 28.199 1.00 0.00 H new ATOM 0 HD2 ARG B 66 18.056 21.425 27.447 1.00 0.00 H new ATOM 0 HD3 ARG B 66 18.576 21.694 25.796 1.00 0.00 H new ATOM 0 HE ARG B 66 20.741 20.992 27.651 1.00 0.00 H new ATOM 0 HH11 ARG B 66 18.481 19.696 25.230 1.00 0.00 H new ATOM 0 HH12 ARG B 66 19.395 18.189 25.124 1.00 0.00 H new ATOM 0 HH21 ARG B 66 21.710 18.989 27.480 1.00 0.00 H new ATOM 0 HH22 ARG B 66 21.095 17.816 26.310 1.00 0.00 H new TER 2088 ARG B 66