USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 634 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 40 SER OG : rot -14:sc= 1.72 USER MOD Set 1.2: A 43 TYR OH : rot -19:sc= 0.861 USER MOD Set 2.1: A 41 SER OG : rot -69:sc= 0.644 USER MOD Set 2.2: A 42 GLN : amide:sc= -9.46! C(o=-8.8!,f=-11!) USER MOD Set 3.1: A 22 LYS NZ :NH3+ 160:sc= 0.453 (180deg=-0.451) USER MOD Set 3.2: A 51 THR OG1 : rot 100:sc= 0.207 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -15.3! C(o=-15!,f=-21!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -116:sc= -3.15! (180deg=-6.22!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -21:sc= 1.02 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= -2.8! USER MOD Single : A 28 ASN : amide:sc= -0.0349 X(o=-0.035,f=-0.45) USER MOD Single : A 30 ASN : amide:sc= -11.1! C(o=-11!,f=-7.1!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0705 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.2 X(o=-2.2,f=-2.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -9.78! C(o=-9.8!,f=-7.3!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.252 USER MOD Single : A 56 TYR OH : rot -169:sc= -9.75! USER MOD Single : A 58 ASN : amide:sc= -2.22 K(o=-2.2,f=-2.8!) USER MOD Single : A 59 THR OG1 : rot -64:sc= 0.607 USER MOD Single : A 63 ASN : amide:sc= -2.34 K(o=-2.3,f=-6!) USER MOD Single : A 64 THR OG1 : rot -74:sc= 0.968 USER MOD Single : A 65 THR OG1 : rot 90:sc= -5.73! USER MOD Single : A 66 LYS NZ :NH3+ -127:sc= 1.06 (180deg=-1.43) USER MOD Single : A 67 THR OG1 : rot 23:sc= 0.918 USER MOD Single : A 69 THR OG1 : rot 67:sc= -0.349! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= -2.9! (180deg=-3.2!) USER MOD Single : A 78 ASN : amide:sc= -12.4! C(o=-12!,f=-21!) USER MOD Single : A 80 LYS NZ :NH3+ 152:sc= 0.336 (180deg=0.0995) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.148 17.549 -6.954 1.00 0.00 N ATOM 38 CA ASP A 3 -7.186 16.562 -7.230 1.00 0.00 C ATOM 39 C ASP A 3 -6.594 15.290 -7.829 1.00 0.00 C ATOM 40 O ASP A 3 -6.702 15.045 -9.028 1.00 0.00 O ATOM 41 CB ASP A 3 -8.230 17.148 -8.183 1.00 0.00 C ATOM 42 CG ASP A 3 -7.602 17.806 -9.397 1.00 0.00 C ATOM 43 OD1 ASP A 3 -6.401 17.570 -9.643 1.00 0.00 O ATOM 44 OD2 ASP A 3 -8.311 18.556 -10.100 1.00 0.00 O ATOM 0 HA ASP A 3 -7.663 16.304 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.904 16.356 -8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.835 17.881 -7.649 1.00 0.00 H new ATOM 49 N PRO A 4 -5.950 14.460 -6.994 1.00 0.00 N ATOM 50 CA PRO A 4 -5.338 13.213 -7.427 1.00 0.00 C ATOM 51 C PRO A 4 -6.278 12.027 -7.255 1.00 0.00 C ATOM 52 O PRO A 4 -7.098 12.009 -6.340 1.00 0.00 O ATOM 53 CB PRO A 4 -4.154 13.094 -6.471 1.00 0.00 C ATOM 54 CG PRO A 4 -4.620 13.735 -5.198 1.00 0.00 C ATOM 55 CD PRO A 4 -5.754 14.674 -5.553 1.00 0.00 C ATOM 0 HA PRO A 4 -5.071 13.213 -8.484 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.879 12.052 -6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.273 13.599 -6.868 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.956 12.979 -4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.805 14.280 -4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.657 14.442 -4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.498 15.711 -5.334 1.00 0.00 H new ATOM 63 N THR A 5 -6.145 11.025 -8.121 1.00 0.00 N ATOM 64 CA THR A 5 -6.988 9.836 -8.017 1.00 0.00 C ATOM 65 C THR A 5 -6.212 8.723 -7.324 1.00 0.00 C ATOM 66 O THR A 5 -4.988 8.800 -7.208 1.00 0.00 O ATOM 67 CB THR A 5 -7.500 9.383 -9.390 1.00 0.00 C ATOM 68 OG1 THR A 5 -8.914 9.324 -9.395 1.00 0.00 O ATOM 69 CG2 THR A 5 -6.991 8.019 -9.814 1.00 0.00 C ATOM 0 H THR A 5 -5.474 11.011 -8.889 1.00 0.00 H new ATOM 0 HA THR A 5 -7.866 10.084 -7.420 1.00 0.00 H new ATOM 0 HB THR A 5 -7.121 10.125 -10.093 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.226 9.035 -10.278 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.396 7.768 -10.794 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.902 8.037 -9.865 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.308 7.270 -9.088 1.00 0.00 H new ATOM 77 N ILE A 6 -6.914 7.707 -6.834 1.00 0.00 N ATOM 78 CA ILE A 6 -6.242 6.630 -6.131 1.00 0.00 C ATOM 79 C ILE A 6 -7.011 5.314 -6.155 1.00 0.00 C ATOM 80 O ILE A 6 -8.239 5.284 -6.188 1.00 0.00 O ATOM 81 CB ILE A 6 -5.966 7.041 -4.663 1.00 0.00 C ATOM 82 CG1 ILE A 6 -6.490 5.997 -3.665 1.00 0.00 C ATOM 83 CG2 ILE A 6 -6.579 8.404 -4.360 1.00 0.00 C ATOM 84 CD1 ILE A 6 -5.497 4.891 -3.380 1.00 0.00 C ATOM 0 H ILE A 6 -7.927 7.610 -6.910 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.305 6.459 -6.662 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.884 7.101 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.747 6.495 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.409 5.559 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.373 8.673 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.146 9.153 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.657 8.361 -4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.930 4.188 -2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.258 4.369 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.587 5.319 -2.960 1.00 0.00 H new ATOM 96 N ASN A 7 -6.245 4.230 -6.100 1.00 0.00 N ATOM 97 CA ASN A 7 -6.780 2.875 -6.073 1.00 0.00 C ATOM 98 C ASN A 7 -7.548 2.646 -4.771 1.00 0.00 C ATOM 99 O ASN A 7 -7.902 3.600 -4.082 1.00 0.00 O ATOM 100 CB ASN A 7 -5.608 1.900 -6.215 1.00 0.00 C ATOM 101 CG ASN A 7 -4.740 1.870 -4.970 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.804 0.936 -4.175 1.00 0.00 O ATOM 103 ND2 ASN A 7 -3.916 2.901 -4.802 1.00 0.00 N ATOM 0 H ASN A 7 -5.226 4.268 -6.073 1.00 0.00 H new ATOM 0 HA ASN A 7 -7.479 2.716 -6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.991 0.899 -6.414 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.001 2.186 -7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.304 2.937 -3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.896 3.655 -5.488 1.00 0.00 H new ATOM 110 N PRO A 8 -7.849 1.389 -4.418 1.00 0.00 N ATOM 111 CA PRO A 8 -8.598 1.093 -3.205 1.00 0.00 C ATOM 112 C PRO A 8 -7.859 1.553 -1.952 1.00 0.00 C ATOM 113 O PRO A 8 -6.899 2.320 -2.041 1.00 0.00 O ATOM 114 CB PRO A 8 -8.754 -0.426 -3.226 1.00 0.00 C ATOM 115 CG PRO A 8 -8.513 -0.814 -4.644 1.00 0.00 C ATOM 116 CD PRO A 8 -7.518 0.175 -5.166 1.00 0.00 C ATOM 0 HA PRO A 8 -9.554 1.615 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.039 -0.906 -2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.749 -0.726 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.128 -1.831 -4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.437 -0.783 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.493 -0.147 -4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.619 0.322 -6.241 1.00 0.00 H new ATOM 124 N THR A 9 -8.309 1.101 -0.786 1.00 0.00 N ATOM 125 CA THR A 9 -7.676 1.500 0.464 1.00 0.00 C ATOM 126 C THR A 9 -7.733 0.402 1.532 1.00 0.00 C ATOM 127 O THR A 9 -7.240 0.596 2.645 1.00 0.00 O ATOM 128 CB THR A 9 -8.343 2.772 0.997 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.555 3.700 -0.045 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.539 3.467 2.074 1.00 0.00 C ATOM 0 H THR A 9 -9.100 0.466 -0.681 1.00 0.00 H new ATOM 0 HA THR A 9 -6.624 1.685 0.248 1.00 0.00 H new ATOM 0 HB THR A 9 -9.287 2.441 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.983 4.504 0.315 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.070 4.359 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.402 2.792 2.918 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.565 3.751 1.675 1.00 0.00 H new ATOM 138 N SER A 10 -8.333 -0.735 1.210 1.00 0.00 N ATOM 139 CA SER A 10 -8.437 -1.824 2.179 1.00 0.00 C ATOM 140 C SER A 10 -8.043 -3.170 1.575 1.00 0.00 C ATOM 141 O SER A 10 -8.655 -3.638 0.616 1.00 0.00 O ATOM 142 CB SER A 10 -9.864 -1.903 2.727 1.00 0.00 C ATOM 143 OG SER A 10 -9.927 -1.404 4.051 1.00 0.00 O ATOM 0 H SER A 10 -8.751 -0.929 0.300 1.00 0.00 H new ATOM 0 HA SER A 10 -7.740 -1.607 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.536 -1.331 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.208 -2.937 2.707 1.00 0.00 H new ATOM 0 HG SER A 10 -10.848 -1.463 4.379 1.00 0.00 H new ATOM 149 N ILE A 11 -7.019 -3.788 2.158 1.00 0.00 N ATOM 150 CA ILE A 11 -6.541 -5.090 1.698 1.00 0.00 C ATOM 151 C ILE A 11 -6.060 -5.935 2.879 1.00 0.00 C ATOM 152 O ILE A 11 -5.348 -5.446 3.755 1.00 0.00 O ATOM 153 CB ILE A 11 -5.400 -4.940 0.668 1.00 0.00 C ATOM 154 CG1 ILE A 11 -4.584 -6.231 0.562 1.00 0.00 C ATOM 155 CG2 ILE A 11 -4.503 -3.768 1.033 1.00 0.00 C ATOM 156 CD1 ILE A 11 -3.509 -6.181 -0.496 1.00 0.00 C ATOM 0 H ILE A 11 -6.503 -3.408 2.951 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.378 -5.593 1.214 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.847 -4.743 -0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.123 -6.440 1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.258 -7.060 0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.705 -3.678 0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.091 -2.850 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.069 -3.935 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.972 -7.129 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.965 -6.004 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.813 -5.374 -0.269 1.00 0.00 H new ATOM 168 N SER A 12 -6.456 -7.207 2.893 1.00 0.00 N ATOM 169 CA SER A 12 -6.064 -8.118 3.966 1.00 0.00 C ATOM 170 C SER A 12 -5.594 -9.458 3.408 1.00 0.00 C ATOM 171 O SER A 12 -6.196 -10.002 2.481 1.00 0.00 O ATOM 172 CB SER A 12 -7.232 -8.346 4.924 1.00 0.00 C ATOM 173 OG SER A 12 -8.363 -7.581 4.546 1.00 0.00 O ATOM 0 H SER A 12 -7.046 -7.629 2.176 1.00 0.00 H new ATOM 0 HA SER A 12 -5.237 -7.657 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.494 -9.404 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.932 -8.079 5.937 1.00 0.00 H new ATOM 0 HG SER A 12 -9.096 -7.748 5.175 1.00 0.00 H new ATOM 179 N ALA A 13 -4.515 -9.983 3.980 1.00 0.00 N ATOM 180 CA ALA A 13 -3.962 -11.254 3.548 1.00 0.00 C ATOM 181 C ALA A 13 -2.872 -11.727 4.501 1.00 0.00 C ATOM 182 O ALA A 13 -2.397 -10.973 5.355 1.00 0.00 O ATOM 183 CB ALA A 13 -3.416 -11.129 2.134 1.00 0.00 C ATOM 0 H ALA A 13 -4.007 -9.543 4.747 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.759 -11.997 3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.003 -12.087 1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.220 -10.839 1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.633 -10.371 2.112 1.00 0.00 H new ATOM 189 N LYS A 14 -2.464 -12.972 4.335 1.00 0.00 N ATOM 190 CA LYS A 14 -1.408 -13.543 5.164 1.00 0.00 C ATOM 191 C LYS A 14 -0.080 -12.894 4.801 1.00 0.00 C ATOM 192 O LYS A 14 0.080 -12.409 3.682 1.00 0.00 O ATOM 193 CB LYS A 14 -1.333 -15.055 4.939 1.00 0.00 C ATOM 194 CG LYS A 14 -1.367 -15.875 6.220 1.00 0.00 C ATOM 195 CD LYS A 14 -2.704 -15.742 6.930 1.00 0.00 C ATOM 196 CE LYS A 14 -2.655 -16.342 8.324 1.00 0.00 C ATOM 197 NZ LYS A 14 -3.821 -15.927 9.150 1.00 0.00 N ATOM 0 H LYS A 14 -2.845 -13.610 3.636 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.626 -13.355 6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.165 -15.359 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.416 -15.286 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.180 -16.923 5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.567 -15.548 6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.980 -14.689 6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.479 -16.239 6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.631 -17.429 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.733 -16.036 8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.491 -15.361 9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.471 -15.358 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.317 -16.772 9.499 1.00 0.00 H new ATOM 211 N ALA A 15 0.885 -12.879 5.721 1.00 0.00 N ATOM 212 CA ALA A 15 2.180 -12.282 5.399 1.00 0.00 C ATOM 213 C ALA A 15 2.826 -13.077 4.280 1.00 0.00 C ATOM 214 O ALA A 15 3.502 -14.081 4.511 1.00 0.00 O ATOM 215 CB ALA A 15 3.101 -12.201 6.607 1.00 0.00 C ATOM 0 H ALA A 15 0.801 -13.259 6.664 1.00 0.00 H new ATOM 0 HA ALA A 15 2.010 -11.255 5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.049 -11.750 6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.634 -11.591 7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.281 -13.204 6.995 1.00 0.00 H new ATOM 221 N GLY A 16 2.560 -12.638 3.065 1.00 0.00 N ATOM 222 CA GLY A 16 3.054 -13.312 1.886 1.00 0.00 C ATOM 223 C GLY A 16 1.908 -13.573 0.942 1.00 0.00 C ATOM 224 O GLY A 16 2.069 -13.640 -0.263 1.00 0.00 O ATOM 0 H GLY A 16 1.999 -11.809 2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.812 -12.702 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.532 -14.251 2.164 1.00 0.00 H new ATOM 228 N SER A 17 0.720 -13.651 1.519 1.00 0.00 N ATOM 229 CA SER A 17 -0.498 -13.863 0.766 1.00 0.00 C ATOM 230 C SER A 17 -0.766 -12.645 -0.109 1.00 0.00 C ATOM 231 O SER A 17 -1.786 -12.547 -0.791 1.00 0.00 O ATOM 232 CB SER A 17 -1.642 -14.011 1.769 1.00 0.00 C ATOM 233 OG SER A 17 -2.340 -15.229 1.629 1.00 0.00 O ATOM 0 H SER A 17 0.576 -13.568 2.525 1.00 0.00 H new ATOM 0 HA SER A 17 -0.411 -14.749 0.138 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.243 -13.941 2.781 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.339 -13.182 1.643 1.00 0.00 H new ATOM 0 HG SER A 17 -3.058 -15.273 2.294 1.00 0.00 H new ATOM 239 N PHE A 18 0.162 -11.712 -0.073 1.00 0.00 N ATOM 240 CA PHE A 18 0.048 -10.502 -0.819 1.00 0.00 C ATOM 241 C PHE A 18 0.837 -10.580 -2.104 1.00 0.00 C ATOM 242 O PHE A 18 1.966 -10.101 -2.183 1.00 0.00 O ATOM 243 CB PHE A 18 0.553 -9.365 0.032 1.00 0.00 C ATOM 244 CG PHE A 18 -0.231 -9.168 1.292 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.456 -8.517 1.267 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.238 -9.644 2.502 1.00 0.00 C ATOM 247 CE1 PHE A 18 -2.187 -8.342 2.426 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.480 -9.472 3.664 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.698 -8.819 3.627 1.00 0.00 C ATOM 0 H PHE A 18 1.016 -11.783 0.481 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.997 -10.339 -1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.597 -9.549 0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.525 -8.445 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.843 -8.143 0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.186 -10.161 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.139 -7.833 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.093 -9.846 4.601 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.266 -8.682 4.535 1.00 0.00 H new ATOM 259 N ALA A 19 0.236 -11.175 -3.111 1.00 0.00 N ATOM 260 CA ALA A 19 0.898 -11.297 -4.400 1.00 0.00 C ATOM 261 C ALA A 19 1.032 -9.917 -5.033 1.00 0.00 C ATOM 262 O ALA A 19 0.317 -8.991 -4.653 1.00 0.00 O ATOM 263 CB ALA A 19 0.127 -12.236 -5.312 1.00 0.00 C ATOM 0 H ALA A 19 -0.700 -11.579 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 19 1.892 -11.719 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.639 -12.313 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.067 -13.222 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.879 -11.847 -5.468 1.00 0.00 H new ATOM 269 N ASP A 20 1.960 -9.777 -5.978 1.00 0.00 N ATOM 270 CA ASP A 20 2.188 -8.489 -6.638 1.00 0.00 C ATOM 271 C ASP A 20 0.880 -7.720 -6.776 1.00 0.00 C ATOM 272 O ASP A 20 -0.021 -8.141 -7.500 1.00 0.00 O ATOM 273 CB ASP A 20 2.819 -8.704 -8.014 1.00 0.00 C ATOM 274 CG ASP A 20 2.971 -7.412 -8.792 1.00 0.00 C ATOM 275 OD1 ASP A 20 2.633 -6.344 -8.239 1.00 0.00 O ATOM 276 OD2 ASP A 20 3.432 -7.466 -9.951 1.00 0.00 O ATOM 0 H ASP A 20 2.563 -10.532 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 20 2.872 -7.903 -6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.798 -9.168 -7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.205 -9.399 -8.587 1.00 0.00 H new ATOM 281 N THR A 21 0.770 -6.603 -6.059 1.00 0.00 N ATOM 282 CA THR A 21 -0.450 -5.804 -6.095 1.00 0.00 C ATOM 283 C THR A 21 -0.220 -4.436 -6.722 1.00 0.00 C ATOM 284 O THR A 21 0.324 -3.538 -6.086 1.00 0.00 O ATOM 285 CB THR A 21 -1.012 -5.640 -4.683 1.00 0.00 C ATOM 286 OG1 THR A 21 -0.847 -6.833 -3.936 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.484 -5.286 -4.663 1.00 0.00 C ATOM 0 H THR A 21 1.503 -6.235 -5.453 1.00 0.00 H new ATOM 0 HA THR A 21 -1.169 -6.336 -6.718 1.00 0.00 H new ATOM 0 HB THR A 21 -0.450 -4.817 -4.242 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.724 -7.588 -4.548 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.820 -5.184 -3.631 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.639 -4.344 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.055 -6.074 -5.154 1.00 0.00 H new ATOM 295 N LYS A 22 -0.657 -4.276 -7.966 1.00 0.00 N ATOM 296 CA LYS A 22 -0.509 -3.021 -8.669 1.00 0.00 C ATOM 297 C LYS A 22 -1.421 -1.961 -8.070 1.00 0.00 C ATOM 298 O LYS A 22 -2.371 -2.266 -7.348 1.00 0.00 O ATOM 299 CB LYS A 22 -0.827 -3.201 -10.154 1.00 0.00 C ATOM 300 CG LYS A 22 0.258 -2.676 -11.077 1.00 0.00 C ATOM 301 CD LYS A 22 1.104 -3.808 -11.638 1.00 0.00 C ATOM 302 CE LYS A 22 1.804 -3.394 -12.922 1.00 0.00 C ATOM 303 NZ LYS A 22 2.253 -1.976 -12.880 1.00 0.00 N ATOM 0 H LYS A 22 -1.118 -5.008 -8.505 1.00 0.00 H new ATOM 0 HA LYS A 22 0.525 -2.693 -8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.984 -4.260 -10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.763 -2.691 -10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.197 -2.119 -11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.895 -1.979 -10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.846 -4.111 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.473 -4.676 -11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.664 -4.042 -13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.128 -3.535 -13.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.997 -1.826 -13.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.448 -1.351 -13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.629 -1.759 -11.935 1.00 0.00 H new ATOM 317 N ILE A 23 -1.110 -0.718 -8.375 1.00 0.00 N ATOM 318 CA ILE A 23 -1.876 0.412 -7.878 1.00 0.00 C ATOM 319 C ILE A 23 -1.811 1.584 -8.856 1.00 0.00 C ATOM 320 O ILE A 23 -0.831 1.735 -9.587 1.00 0.00 O ATOM 321 CB ILE A 23 -1.367 0.850 -6.495 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.973 -0.047 -5.419 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.685 2.316 -6.230 1.00 0.00 C ATOM 324 CD1 ILE A 23 -1.755 0.445 -4.007 1.00 0.00 C ATOM 0 H ILE A 23 -0.323 -0.461 -8.971 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.915 0.096 -7.783 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.282 0.746 -6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.044 -0.138 -5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.548 -1.046 -5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.313 2.597 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.206 2.935 -6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.764 2.467 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.216 -0.249 -3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.686 0.509 -3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.205 1.431 -3.892 1.00 0.00 H new ATOM 336 N THR A 24 -2.857 2.406 -8.867 1.00 0.00 N ATOM 337 CA THR A 24 -2.907 3.552 -9.766 1.00 0.00 C ATOM 338 C THR A 24 -2.959 4.862 -8.992 1.00 0.00 C ATOM 339 O THR A 24 -3.899 5.118 -8.244 1.00 0.00 O ATOM 340 CB THR A 24 -4.122 3.447 -10.691 1.00 0.00 C ATOM 341 OG1 THR A 24 -4.429 2.093 -10.962 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.926 4.148 -12.017 1.00 0.00 C ATOM 0 H THR A 24 -3.675 2.300 -8.267 1.00 0.00 H new ATOM 0 HA THR A 24 -1.996 3.546 -10.364 1.00 0.00 H new ATOM 0 HB THR A 24 -4.936 3.937 -10.156 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.209 2.046 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.824 4.035 -12.624 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.736 5.207 -11.844 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.077 3.708 -12.539 1.00 0.00 H new ATOM 350 N LEU A 25 -1.937 5.689 -9.180 1.00 0.00 N ATOM 351 CA LEU A 25 -1.855 6.971 -8.512 1.00 0.00 C ATOM 352 C LEU A 25 -1.966 8.099 -9.538 1.00 0.00 C ATOM 353 O LEU A 25 -0.958 8.568 -10.070 1.00 0.00 O ATOM 354 CB LEU A 25 -0.527 7.049 -7.770 1.00 0.00 C ATOM 355 CG LEU A 25 -0.632 6.892 -6.257 1.00 0.00 C ATOM 356 CD1 LEU A 25 -0.777 5.425 -5.884 1.00 0.00 C ATOM 357 CD2 LEU A 25 0.575 7.504 -5.567 1.00 0.00 C ATOM 0 H LEU A 25 -1.150 5.487 -9.796 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.674 7.077 -7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.136 6.275 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.059 8.008 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.521 7.423 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.851 5.331 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.677 5.019 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.093 4.872 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.479 7.381 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.482 7.006 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.632 8.566 -5.807 1.00 0.00 H new ATOM 369 N THR A 26 -3.191 8.522 -9.834 1.00 0.00 N ATOM 370 CA THR A 26 -3.412 9.572 -10.824 1.00 0.00 C ATOM 371 C THR A 26 -2.899 10.916 -10.321 1.00 0.00 C ATOM 372 O THR A 26 -3.453 11.493 -9.377 1.00 0.00 O ATOM 373 CB THR A 26 -4.892 9.678 -11.170 1.00 0.00 C ATOM 374 OG1 THR A 26 -5.342 8.495 -11.805 1.00 0.00 O ATOM 375 CG2 THR A 26 -5.214 10.841 -12.080 1.00 0.00 C ATOM 0 H THR A 26 -4.042 8.157 -9.406 1.00 0.00 H new ATOM 0 HA THR A 26 -2.856 9.305 -11.723 1.00 0.00 H new ATOM 0 HB THR A 26 -5.401 9.835 -10.219 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.073 8.712 -12.421 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.284 10.857 -12.286 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.924 11.773 -11.595 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.666 10.733 -13.016 1.00 0.00 H new ATOM 383 N PRO A 27 -1.822 11.416 -10.961 1.00 0.00 N ATOM 384 CA PRO A 27 -1.177 12.687 -10.621 1.00 0.00 C ATOM 385 C PRO A 27 -1.731 13.861 -11.407 1.00 0.00 C ATOM 386 O PRO A 27 -1.226 14.966 -11.298 1.00 0.00 O ATOM 387 CB PRO A 27 0.241 12.415 -11.061 1.00 0.00 C ATOM 388 CG PRO A 27 0.060 11.657 -12.326 1.00 0.00 C ATOM 389 CD PRO A 27 -1.128 10.766 -12.092 1.00 0.00 C ATOM 0 HA PRO A 27 -1.312 12.962 -9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.798 13.338 -11.220 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.790 11.836 -10.318 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.113 12.330 -13.166 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.949 11.072 -12.564 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.765 10.705 -12.974 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.825 9.748 -11.847 1.00 0.00 H new ATOM 397 N ASN A 28 -2.742 13.572 -12.217 1.00 0.00 N ATOM 398 CA ASN A 28 -3.401 14.529 -13.086 1.00 0.00 C ATOM 399 C ASN A 28 -3.516 15.881 -12.422 1.00 0.00 C ATOM 400 O ASN A 28 -4.597 16.359 -12.077 1.00 0.00 O ATOM 401 CB ASN A 28 -4.791 14.021 -13.469 1.00 0.00 C ATOM 402 CG ASN A 28 -5.015 14.026 -14.967 1.00 0.00 C ATOM 403 OD1 ASN A 28 -4.519 14.901 -15.679 1.00 0.00 O ATOM 404 ND2 ASN A 28 -5.765 13.044 -15.458 1.00 0.00 N ATOM 0 H ASN A 28 -3.136 12.634 -12.287 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.795 14.640 -13.985 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.922 13.008 -13.088 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.547 14.643 -12.989 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.949 12.995 -16.460 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.156 12.340 -14.833 1.00 0.00 H new ATOM 411 N GLY A 29 -2.361 16.468 -12.252 1.00 0.00 N ATOM 412 CA GLY A 29 -2.239 17.773 -11.626 1.00 0.00 C ATOM 413 C GLY A 29 -1.436 17.715 -10.342 1.00 0.00 C ATOM 414 O GLY A 29 -0.751 18.669 -9.977 1.00 0.00 O ATOM 0 H GLY A 29 -1.472 16.060 -12.542 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.762 18.465 -12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.233 18.168 -11.414 1.00 0.00 H new ATOM 418 N ASN A 30 -1.527 16.579 -9.669 1.00 0.00 N ATOM 419 CA ASN A 30 -0.815 16.347 -8.419 1.00 0.00 C ATOM 420 C ASN A 30 0.382 15.437 -8.652 1.00 0.00 C ATOM 421 O ASN A 30 0.486 14.786 -9.691 1.00 0.00 O ATOM 422 CB ASN A 30 -1.754 15.711 -7.394 1.00 0.00 C ATOM 423 CG ASN A 30 -3.220 15.841 -7.779 1.00 0.00 C ATOM 424 OD1 ASN A 30 -3.948 16.653 -7.211 1.00 0.00 O ATOM 425 ND2 ASN A 30 -3.658 15.040 -8.747 1.00 0.00 N ATOM 0 H ASN A 30 -2.097 15.790 -9.973 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.461 17.305 -8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.504 14.656 -7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.595 16.179 -6.423 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.633 15.085 -9.045 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.019 14.381 -9.191 1.00 0.00 H new ATOM 432 N THR A 31 1.289 15.389 -7.684 1.00 0.00 N ATOM 433 CA THR A 31 2.474 14.551 -7.797 1.00 0.00 C ATOM 434 C THR A 31 2.597 13.618 -6.601 1.00 0.00 C ATOM 435 O THR A 31 2.068 13.896 -5.525 1.00 0.00 O ATOM 436 CB THR A 31 3.733 15.407 -7.915 1.00 0.00 C ATOM 437 OG1 THR A 31 4.891 14.588 -7.900 1.00 0.00 O ATOM 438 CG2 THR A 31 3.876 16.422 -6.802 1.00 0.00 C ATOM 0 H THR A 31 1.226 15.919 -6.815 1.00 0.00 H new ATOM 0 HA THR A 31 2.369 13.950 -8.700 1.00 0.00 H new ATOM 0 HB THR A 31 3.634 15.943 -8.859 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.690 15.150 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.791 16.995 -6.948 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.020 17.096 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.920 15.906 -5.843 1.00 0.00 H new ATOM 446 N PHE A 32 3.300 12.513 -6.799 1.00 0.00 N ATOM 447 CA PHE A 32 3.497 11.532 -5.739 1.00 0.00 C ATOM 448 C PHE A 32 4.983 11.318 -5.459 1.00 0.00 C ATOM 449 O PHE A 32 5.787 11.195 -6.385 1.00 0.00 O ATOM 450 CB PHE A 32 2.838 10.203 -6.117 1.00 0.00 C ATOM 451 CG PHE A 32 3.244 9.057 -5.230 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.411 9.244 -3.869 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.459 7.799 -5.765 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.788 8.194 -3.055 1.00 0.00 C ATOM 455 CE2 PHE A 32 3.836 6.745 -4.956 1.00 0.00 C ATOM 456 CZ PHE A 32 4.000 6.941 -3.598 1.00 0.00 C ATOM 0 H PHE A 32 3.745 12.272 -7.685 1.00 0.00 H new ATOM 0 HA PHE A 32 3.030 11.916 -4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.755 10.319 -6.075 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.092 9.961 -7.149 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.245 10.221 -3.439 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.331 7.640 -6.825 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.917 8.352 -1.994 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.003 5.768 -5.385 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.293 6.118 -2.963 1.00 0.00 H new ATOM 466 N ASN A 33 5.341 11.272 -4.180 1.00 0.00 N ATOM 467 CA ASN A 33 6.727 11.069 -3.778 1.00 0.00 C ATOM 468 C ASN A 33 6.997 9.600 -3.471 1.00 0.00 C ATOM 469 O ASN A 33 7.721 8.925 -4.207 1.00 0.00 O ATOM 470 CB ASN A 33 7.054 11.925 -2.553 1.00 0.00 C ATOM 471 CG ASN A 33 7.957 13.094 -2.887 1.00 0.00 C ATOM 472 OD1 ASN A 33 9.128 13.118 -2.505 1.00 0.00 O ATOM 473 ND2 ASN A 33 7.419 14.071 -3.606 1.00 0.00 N ATOM 0 H ASN A 33 4.688 11.373 -3.403 1.00 0.00 H new ATOM 0 HA ASN A 33 7.367 11.371 -4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.128 12.299 -2.117 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.534 11.304 -1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.980 14.883 -3.863 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.445 14.010 -3.901 1.00 0.00 H new ATOM 480 N GLY A 34 6.415 9.102 -2.382 1.00 0.00 N ATOM 481 CA GLY A 34 6.609 7.713 -2.003 1.00 0.00 C ATOM 482 C GLY A 34 5.899 7.353 -0.710 1.00 0.00 C ATOM 483 O GLY A 34 5.398 8.227 -0.005 1.00 0.00 O ATOM 0 H GLY A 34 5.813 9.636 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.246 7.068 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.676 7.516 -1.894 1.00 0.00 H new ATOM 487 N ILE A 35 5.859 6.059 -0.404 1.00 0.00 N ATOM 488 CA ILE A 35 5.214 5.574 0.805 1.00 0.00 C ATOM 489 C ILE A 35 6.258 5.233 1.864 1.00 0.00 C ATOM 490 O ILE A 35 6.907 4.189 1.801 1.00 0.00 O ATOM 491 CB ILE A 35 4.357 4.328 0.520 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.786 4.379 -0.891 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.234 4.210 1.542 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.142 3.080 -1.327 1.00 0.00 C ATOM 0 H ILE A 35 6.269 5.326 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 35 4.565 6.369 1.172 1.00 0.00 H new ATOM 0 HB ILE A 35 4.995 3.448 0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.048 5.179 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.584 4.632 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.637 3.324 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.659 4.126 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.600 5.095 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.757 3.187 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.883 2.281 -1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.322 2.836 -0.651 1.00 0.00 H new ATOM 506 N SER A 36 6.428 6.131 2.828 1.00 0.00 N ATOM 507 CA SER A 36 7.412 5.938 3.896 1.00 0.00 C ATOM 508 C SER A 36 7.180 4.644 4.651 1.00 0.00 C ATOM 509 O SER A 36 8.125 3.905 4.931 1.00 0.00 O ATOM 510 CB SER A 36 7.394 7.124 4.862 1.00 0.00 C ATOM 511 OG SER A 36 7.984 8.272 4.273 1.00 0.00 O ATOM 0 H SER A 36 5.899 7.001 2.895 1.00 0.00 H new ATOM 0 HA SER A 36 8.394 5.875 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.367 7.347 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.931 6.863 5.774 1.00 0.00 H new ATOM 0 HG SER A 36 7.958 9.016 4.910 1.00 0.00 H new ATOM 517 N GLU A 37 5.929 4.357 4.966 1.00 0.00 N ATOM 518 CA GLU A 37 5.578 3.159 5.660 1.00 0.00 C ATOM 519 C GLU A 37 6.306 1.971 5.049 1.00 0.00 C ATOM 520 O GLU A 37 6.601 0.988 5.730 1.00 0.00 O ATOM 521 CB GLU A 37 4.074 2.974 5.558 1.00 0.00 C ATOM 522 CG GLU A 37 3.394 3.813 4.487 1.00 0.00 C ATOM 523 CD GLU A 37 2.864 5.122 5.027 1.00 0.00 C ATOM 524 OE1 GLU A 37 3.670 6.058 5.217 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.644 5.211 5.256 1.00 0.00 O ATOM 0 H GLU A 37 5.136 4.958 4.741 1.00 0.00 H new ATOM 0 HA GLU A 37 5.870 3.229 6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.865 1.922 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.627 3.213 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.103 4.015 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.573 3.244 4.051 1.00 0.00 H new ATOM 532 N LEU A 38 6.607 2.081 3.758 1.00 0.00 N ATOM 533 CA LEU A 38 7.310 1.035 3.046 1.00 0.00 C ATOM 534 C LEU A 38 8.245 1.633 1.998 1.00 0.00 C ATOM 535 O LEU A 38 7.895 1.731 0.823 1.00 0.00 O ATOM 536 CB LEU A 38 6.319 0.078 2.392 1.00 0.00 C ATOM 537 CG LEU A 38 5.001 0.704 1.940 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.446 -0.033 0.733 1.00 0.00 C ATOM 539 CD2 LEU A 38 3.992 0.699 3.078 1.00 0.00 C ATOM 0 H LEU A 38 6.370 2.892 3.187 1.00 0.00 H new ATOM 0 HA LEU A 38 7.911 0.475 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.799 -0.380 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.098 -0.725 3.095 1.00 0.00 H new ATOM 0 HG LEU A 38 5.192 1.738 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.507 0.427 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.162 0.021 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.270 -1.077 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.059 1.149 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.806 -0.327 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.387 1.272 3.917 1.00 0.00 H new ATOM 551 N GLN A 39 9.428 2.045 2.453 1.00 0.00 N ATOM 552 CA GLN A 39 10.440 2.651 1.616 1.00 0.00 C ATOM 553 C GLN A 39 10.389 2.081 0.219 1.00 0.00 C ATOM 554 O GLN A 39 11.009 1.069 -0.096 1.00 0.00 O ATOM 555 CB GLN A 39 11.834 2.451 2.215 1.00 0.00 C ATOM 556 CG GLN A 39 11.883 2.633 3.725 1.00 0.00 C ATOM 557 CD GLN A 39 11.205 3.914 4.179 1.00 0.00 C ATOM 558 OE1 GLN A 39 10.561 3.950 5.226 1.00 0.00 O ATOM 559 NE2 GLN A 39 11.350 4.971 3.387 1.00 0.00 N ATOM 0 H GLN A 39 9.706 1.962 3.431 1.00 0.00 H new ATOM 0 HA GLN A 39 10.235 3.720 1.564 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.186 1.450 1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.524 3.156 1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.402 1.781 4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.922 2.640 4.053 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.894 4.894 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.918 5.860 3.639 1.00 0.00 H new ATOM 568 N SER A 40 9.608 2.784 -0.560 1.00 0.00 N ATOM 569 CA SER A 40 9.328 2.510 -1.979 1.00 0.00 C ATOM 570 C SER A 40 9.908 1.200 -2.474 1.00 0.00 C ATOM 571 O SER A 40 9.259 0.469 -3.217 1.00 0.00 O ATOM 572 CB SER A 40 9.843 3.661 -2.846 1.00 0.00 C ATOM 573 OG SER A 40 8.984 4.784 -2.766 1.00 0.00 O ATOM 0 H SER A 40 9.116 3.610 -0.220 1.00 0.00 H new ATOM 0 HA SER A 40 8.245 2.422 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.846 3.943 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.922 3.333 -3.882 1.00 0.00 H new ATOM 0 HG SER A 40 8.137 4.519 -2.351 1.00 0.00 H new ATOM 579 N SER A 41 11.124 0.903 -2.074 1.00 0.00 N ATOM 580 CA SER A 41 11.764 -0.332 -2.489 1.00 0.00 C ATOM 581 C SER A 41 10.824 -1.509 -2.250 1.00 0.00 C ATOM 582 O SER A 41 10.890 -2.526 -2.938 1.00 0.00 O ATOM 583 CB SER A 41 13.084 -0.536 -1.741 1.00 0.00 C ATOM 584 OG SER A 41 13.204 -1.860 -1.252 1.00 0.00 O ATOM 0 H SER A 41 11.690 1.494 -1.465 1.00 0.00 H new ATOM 0 HA SER A 41 11.987 -0.270 -3.554 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.919 -0.316 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.145 0.167 -0.910 1.00 0.00 H new ATOM 0 HG SER A 41 12.559 -2.001 -0.528 1.00 0.00 H new ATOM 590 N GLN A 42 9.937 -1.349 -1.270 1.00 0.00 N ATOM 591 CA GLN A 42 8.968 -2.357 -0.925 1.00 0.00 C ATOM 592 C GLN A 42 8.053 -2.650 -2.104 1.00 0.00 C ATOM 593 O GLN A 42 7.587 -3.774 -2.310 1.00 0.00 O ATOM 594 CB GLN A 42 8.167 -1.819 0.239 1.00 0.00 C ATOM 595 CG GLN A 42 8.968 -1.673 1.522 1.00 0.00 C ATOM 596 CD GLN A 42 10.468 -1.540 1.305 1.00 0.00 C ATOM 597 OE1 GLN A 42 11.087 -2.372 0.643 1.00 0.00 O ATOM 598 NE2 GLN A 42 11.062 -0.503 1.876 1.00 0.00 N ATOM 0 H GLN A 42 9.880 -0.507 -0.697 1.00 0.00 H new ATOM 0 HA GLN A 42 9.464 -3.291 -0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.756 -0.847 -0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.322 -2.482 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.611 -0.797 2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.779 -2.539 2.157 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.513 0.165 2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.068 -0.372 1.775 1.00 0.00 H new ATOM 607 N TYR A 43 7.809 -1.607 -2.872 1.00 0.00 N ATOM 608 CA TYR A 43 6.959 -1.684 -4.051 1.00 0.00 C ATOM 609 C TYR A 43 7.704 -1.201 -5.285 1.00 0.00 C ATOM 610 O TYR A 43 8.913 -0.974 -5.253 1.00 0.00 O ATOM 611 CB TYR A 43 5.677 -0.871 -3.846 1.00 0.00 C ATOM 612 CG TYR A 43 5.906 0.596 -3.581 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.335 1.447 -4.592 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.679 1.134 -2.319 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.535 2.795 -4.350 1.00 0.00 C ATOM 616 CE2 TYR A 43 5.874 2.478 -2.075 1.00 0.00 C ATOM 617 CZ TYR A 43 6.302 3.305 -3.091 1.00 0.00 C ATOM 618 OH TYR A 43 6.498 4.646 -2.849 1.00 0.00 O ATOM 0 H TYR A 43 8.194 -0.678 -2.699 1.00 0.00 H new ATOM 0 HA TYR A 43 6.684 -2.728 -4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.050 -0.974 -4.732 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.121 -1.296 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.515 1.051 -5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.345 0.491 -1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.872 3.444 -5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.692 2.881 -1.090 1.00 0.00 H new ATOM 0 HH TYR A 43 7.072 5.024 -3.548 1.00 0.00 H new ATOM 628 N THR A 44 6.963 -1.050 -6.363 1.00 0.00 N ATOM 629 CA THR A 44 7.510 -0.597 -7.626 1.00 0.00 C ATOM 630 C THR A 44 6.628 0.487 -8.205 1.00 0.00 C ATOM 631 O THR A 44 5.637 0.220 -8.885 1.00 0.00 O ATOM 632 CB THR A 44 7.638 -1.759 -8.611 1.00 0.00 C ATOM 633 OG1 THR A 44 8.601 -2.694 -8.160 1.00 0.00 O ATOM 634 CG2 THR A 44 8.034 -1.324 -10.004 1.00 0.00 C ATOM 0 H THR A 44 5.961 -1.239 -6.388 1.00 0.00 H new ATOM 0 HA THR A 44 8.507 -0.192 -7.449 1.00 0.00 H new ATOM 0 HB THR A 44 6.646 -2.207 -8.659 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.667 -3.431 -8.803 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.107 -2.198 -10.651 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.282 -0.641 -10.399 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.999 -0.819 -9.967 1.00 0.00 H new ATOM 642 N LYS A 45 6.993 1.711 -7.893 1.00 0.00 N ATOM 643 CA LYS A 45 6.253 2.886 -8.339 1.00 0.00 C ATOM 644 C LYS A 45 6.379 3.098 -9.839 1.00 0.00 C ATOM 645 O LYS A 45 7.206 2.480 -10.507 1.00 0.00 O ATOM 646 CB LYS A 45 6.762 4.138 -7.621 1.00 0.00 C ATOM 647 CG LYS A 45 5.665 4.940 -6.944 1.00 0.00 C ATOM 648 CD LYS A 45 5.272 6.148 -7.779 1.00 0.00 C ATOM 649 CE LYS A 45 5.918 7.420 -7.259 1.00 0.00 C ATOM 650 NZ LYS A 45 7.179 7.741 -7.985 1.00 0.00 N ATOM 0 H LYS A 45 7.811 1.927 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 45 5.204 2.713 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.499 3.844 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.275 4.776 -8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.793 4.306 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.004 5.268 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.568 5.986 -8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.188 6.260 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.219 8.250 -7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.129 7.311 -6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.588 8.616 -7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.856 6.961 -7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.974 7.871 -8.996 1.00 0.00 H new ATOM 664 N GLY A 46 5.543 3.990 -10.350 1.00 0.00 N ATOM 665 CA GLY A 46 5.549 4.310 -11.761 1.00 0.00 C ATOM 666 C GLY A 46 5.058 5.723 -12.013 1.00 0.00 C ATOM 667 O GLY A 46 3.984 5.912 -12.579 1.00 0.00 O ATOM 0 H GLY A 46 4.852 4.504 -9.803 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.559 4.199 -12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.917 3.603 -12.298 1.00 0.00 H new ATOM 671 N THR A 47 5.850 6.702 -11.573 1.00 0.00 N ATOM 672 CA THR A 47 5.528 8.130 -11.728 1.00 0.00 C ATOM 673 C THR A 47 4.030 8.376 -11.898 1.00 0.00 C ATOM 674 O THR A 47 3.608 9.239 -12.664 1.00 0.00 O ATOM 675 CB THR A 47 6.298 8.709 -12.914 1.00 0.00 C ATOM 676 OG1 THR A 47 7.696 8.594 -12.706 1.00 0.00 O ATOM 677 CG2 THR A 47 5.996 10.169 -13.179 1.00 0.00 C ATOM 0 H THR A 47 6.736 6.531 -11.097 1.00 0.00 H new ATOM 0 HA THR A 47 5.831 8.635 -10.810 1.00 0.00 H new ATOM 0 HB THR A 47 5.972 8.128 -13.777 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.173 8.968 -13.476 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.578 10.512 -14.034 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.934 10.288 -13.392 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.258 10.760 -12.302 1.00 0.00 H new ATOM 685 N ASN A 48 3.243 7.622 -11.149 1.00 0.00 N ATOM 686 CA ASN A 48 1.790 7.739 -11.168 1.00 0.00 C ATOM 687 C ASN A 48 1.139 6.499 -10.614 1.00 0.00 C ATOM 688 O ASN A 48 -0.014 6.528 -10.251 1.00 0.00 O ATOM 689 CB ASN A 48 1.220 7.986 -12.563 1.00 0.00 C ATOM 690 CG ASN A 48 2.033 7.358 -13.672 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.756 8.039 -14.400 1.00 0.00 O ATOM 692 ND2 ASN A 48 1.905 6.050 -13.818 1.00 0.00 N ATOM 0 H ASN A 48 3.592 6.909 -10.508 1.00 0.00 H new ATOM 0 HA ASN A 48 1.567 8.606 -10.546 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.203 7.596 -12.605 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.157 9.060 -12.735 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.417 5.567 -14.556 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.295 5.524 -13.192 1.00 0.00 H new ATOM 699 N GLU A 49 1.875 5.412 -10.581 1.00 0.00 N ATOM 700 CA GLU A 49 1.323 4.164 -10.086 1.00 0.00 C ATOM 701 C GLU A 49 2.276 3.485 -9.115 1.00 0.00 C ATOM 702 O GLU A 49 3.445 3.843 -9.018 1.00 0.00 O ATOM 703 CB GLU A 49 1.030 3.221 -11.251 1.00 0.00 C ATOM 704 CG GLU A 49 -0.286 3.499 -11.949 1.00 0.00 C ATOM 705 CD GLU A 49 -0.140 3.630 -13.452 1.00 0.00 C ATOM 706 OE1 GLU A 49 1.006 3.691 -13.935 1.00 0.00 O ATOM 707 OE2 GLU A 49 -1.177 3.676 -14.147 1.00 0.00 O ATOM 0 H GLU A 49 2.847 5.362 -10.886 1.00 0.00 H new ATOM 0 HA GLU A 49 0.398 4.396 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.839 3.295 -11.978 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.025 2.195 -10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.987 2.695 -11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.717 4.417 -11.549 1.00 0.00 H new ATOM 714 N VAL A 50 1.763 2.493 -8.404 1.00 0.00 N ATOM 715 CA VAL A 50 2.573 1.748 -7.448 1.00 0.00 C ATOM 716 C VAL A 50 2.310 0.254 -7.554 1.00 0.00 C ATOM 717 O VAL A 50 1.166 -0.171 -7.681 1.00 0.00 O ATOM 718 CB VAL A 50 2.315 2.196 -5.999 1.00 0.00 C ATOM 719 CG1 VAL A 50 3.460 1.764 -5.096 1.00 0.00 C ATOM 720 CG2 VAL A 50 2.114 3.701 -5.933 1.00 0.00 C ATOM 0 H VAL A 50 0.793 2.185 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 50 3.613 1.957 -7.699 1.00 0.00 H new ATOM 0 HB VAL A 50 1.402 1.716 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.261 2.089 -4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.552 0.678 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.389 2.215 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.933 3.999 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.007 4.204 -6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.258 3.981 -6.547 1.00 0.00 H new ATOM 730 N THR A 51 3.373 -0.531 -7.508 1.00 0.00 N ATOM 731 CA THR A 51 3.244 -1.977 -7.602 1.00 0.00 C ATOM 732 C THR A 51 3.820 -2.666 -6.369 1.00 0.00 C ATOM 733 O THR A 51 5.035 -2.719 -6.181 1.00 0.00 O ATOM 734 CB THR A 51 3.933 -2.491 -8.865 1.00 0.00 C ATOM 735 OG1 THR A 51 3.260 -2.040 -10.024 1.00 0.00 O ATOM 736 CG2 THR A 51 4.007 -4.003 -8.937 1.00 0.00 C ATOM 0 H THR A 51 4.331 -0.195 -7.407 1.00 0.00 H new ATOM 0 HA THR A 51 2.182 -2.215 -7.656 1.00 0.00 H new ATOM 0 HB THR A 51 4.948 -2.095 -8.818 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.735 -1.269 -10.399 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.508 -4.299 -9.859 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.567 -4.381 -8.082 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.999 -4.418 -8.922 1.00 0.00 H new ATOM 744 N LEU A 52 2.932 -3.200 -5.540 1.00 0.00 N ATOM 745 CA LEU A 52 3.331 -3.900 -4.325 1.00 0.00 C ATOM 746 C LEU A 52 4.014 -5.207 -4.680 1.00 0.00 C ATOM 747 O LEU A 52 3.510 -5.967 -5.506 1.00 0.00 O ATOM 748 CB LEU A 52 2.104 -4.197 -3.462 1.00 0.00 C ATOM 749 CG LEU A 52 2.032 -3.430 -2.147 1.00 0.00 C ATOM 750 CD1 LEU A 52 0.625 -3.481 -1.576 1.00 0.00 C ATOM 751 CD2 LEU A 52 3.042 -3.981 -1.151 1.00 0.00 C ATOM 0 H LEU A 52 1.924 -3.161 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 52 4.021 -3.265 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.209 -3.974 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.084 -5.265 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 52 2.282 -2.387 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.593 -2.928 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.072 -3.033 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.343 -4.518 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.976 -3.421 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.827 -5.032 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.047 -3.885 -1.561 1.00 0.00 H new ATOM 763 N LEU A 53 5.158 -5.476 -4.065 1.00 0.00 N ATOM 764 CA LEU A 53 5.869 -6.704 -4.356 1.00 0.00 C ATOM 765 C LEU A 53 5.690 -7.731 -3.241 1.00 0.00 C ATOM 766 O LEU A 53 6.214 -7.573 -2.138 1.00 0.00 O ATOM 767 CB LEU A 53 7.354 -6.426 -4.589 1.00 0.00 C ATOM 768 CG LEU A 53 7.783 -6.397 -6.058 1.00 0.00 C ATOM 769 CD1 LEU A 53 8.969 -5.462 -6.249 1.00 0.00 C ATOM 770 CD2 LEU A 53 8.128 -7.799 -6.540 1.00 0.00 C ATOM 0 H LEU A 53 5.603 -4.871 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 53 5.443 -7.122 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.605 -5.468 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.937 -7.188 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 53 6.950 -6.023 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.260 -5.454 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.691 -4.454 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.806 -5.808 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.431 -7.760 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.946 -8.199 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.255 -8.444 -6.439 1.00 0.00 H new ATOM 782 N ALA A 54 4.952 -8.792 -3.546 1.00 0.00 N ATOM 783 CA ALA A 54 4.690 -9.861 -2.590 1.00 0.00 C ATOM 784 C ALA A 54 5.919 -10.226 -1.755 1.00 0.00 C ATOM 785 O ALA A 54 5.796 -10.876 -0.723 1.00 0.00 O ATOM 786 CB ALA A 54 4.170 -11.093 -3.318 1.00 0.00 C ATOM 0 H ALA A 54 4.520 -8.935 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 54 3.934 -9.491 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.977 -11.887 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.246 -10.844 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.914 -11.431 -4.039 1.00 0.00 H new ATOM 792 N SER A 55 7.100 -9.807 -2.196 1.00 0.00 N ATOM 793 CA SER A 55 8.334 -10.102 -1.470 1.00 0.00 C ATOM 794 C SER A 55 8.396 -9.308 -0.174 1.00 0.00 C ATOM 795 O SER A 55 8.705 -9.848 0.885 1.00 0.00 O ATOM 796 CB SER A 55 9.550 -9.786 -2.339 1.00 0.00 C ATOM 797 OG SER A 55 9.922 -8.423 -2.222 1.00 0.00 O ATOM 0 H SER A 55 7.231 -9.264 -3.049 1.00 0.00 H new ATOM 0 HA SER A 55 8.342 -11.164 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.386 -10.421 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.326 -10.017 -3.381 1.00 0.00 H new ATOM 0 HG SER A 55 10.704 -8.248 -2.787 1.00 0.00 H new ATOM 803 N TYR A 56 8.094 -8.021 -0.276 1.00 0.00 N ATOM 804 CA TYR A 56 8.100 -7.123 0.854 1.00 0.00 C ATOM 805 C TYR A 56 6.949 -7.454 1.785 1.00 0.00 C ATOM 806 O TYR A 56 7.134 -7.811 2.959 1.00 0.00 O ATOM 807 CB TYR A 56 7.967 -5.701 0.315 1.00 0.00 C ATOM 808 CG TYR A 56 7.071 -4.787 1.117 1.00 0.00 C ATOM 809 CD1 TYR A 56 7.432 -4.356 2.386 1.00 0.00 C ATOM 810 CD2 TYR A 56 5.866 -4.342 0.590 1.00 0.00 C ATOM 811 CE1 TYR A 56 6.617 -3.505 3.106 1.00 0.00 C ATOM 812 CE2 TYR A 56 5.046 -3.495 1.305 1.00 0.00 C ATOM 813 CZ TYR A 56 5.426 -3.077 2.561 1.00 0.00 C ATOM 814 OH TYR A 56 4.612 -2.227 3.270 1.00 0.00 O ATOM 0 H TYR A 56 7.837 -7.574 -1.156 1.00 0.00 H new ATOM 0 HA TYR A 56 9.025 -7.222 1.422 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.960 -5.255 0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.587 -5.751 -0.705 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.364 -4.691 2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.566 -4.665 -0.396 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.912 -3.176 4.092 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.110 -3.161 0.882 1.00 0.00 H new ATOM 0 HH TYR A 56 3.741 -2.161 2.825 1.00 0.00 H new ATOM 824 N LEU A 57 5.757 -7.336 1.242 1.00 0.00 N ATOM 825 CA LEU A 57 4.550 -7.623 1.995 1.00 0.00 C ATOM 826 C LEU A 57 4.661 -8.985 2.674 1.00 0.00 C ATOM 827 O LEU A 57 4.173 -9.179 3.785 1.00 0.00 O ATOM 828 CB LEU A 57 3.325 -7.577 1.077 1.00 0.00 C ATOM 829 CG LEU A 57 2.071 -6.931 1.681 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.434 -5.784 2.613 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.148 -6.437 0.580 1.00 0.00 C ATOM 0 H LEU A 57 5.595 -7.042 0.279 1.00 0.00 H new ATOM 0 HA LEU A 57 4.430 -6.862 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.592 -7.033 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.079 -8.596 0.777 1.00 0.00 H new ATOM 0 HG LEU A 57 1.553 -7.691 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.524 -5.348 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.056 -6.159 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.982 -5.023 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.263 -5.981 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.670 -5.698 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.848 -7.276 -0.047 1.00 0.00 H new ATOM 843 N ASN A 58 5.325 -9.922 2.004 1.00 0.00 N ATOM 844 CA ASN A 58 5.519 -11.258 2.554 1.00 0.00 C ATOM 845 C ASN A 58 6.406 -11.203 3.794 1.00 0.00 C ATOM 846 O ASN A 58 6.199 -11.943 4.755 1.00 0.00 O ATOM 847 CB ASN A 58 6.145 -12.188 1.513 1.00 0.00 C ATOM 848 CG ASN A 58 6.520 -13.539 2.091 1.00 0.00 C ATOM 849 OD1 ASN A 58 7.431 -13.644 2.914 1.00 0.00 O ATOM 850 ND2 ASN A 58 5.819 -14.583 1.663 1.00 0.00 N ATOM 0 H ASN A 58 5.737 -9.781 1.082 1.00 0.00 H new ATOM 0 HA ASN A 58 4.541 -11.651 2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.445 -12.330 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.034 -11.715 1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.027 -15.517 2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.073 -14.451 0.980 1.00 0.00 H new ATOM 857 N THR A 59 7.407 -10.329 3.750 1.00 0.00 N ATOM 858 CA THR A 59 8.344 -10.180 4.857 1.00 0.00 C ATOM 859 C THR A 59 7.736 -9.396 6.011 1.00 0.00 C ATOM 860 O THR A 59 8.200 -9.491 7.147 1.00 0.00 O ATOM 861 CB THR A 59 9.624 -9.491 4.379 1.00 0.00 C ATOM 862 OG1 THR A 59 9.487 -9.054 3.038 1.00 0.00 O ATOM 863 CG2 THR A 59 10.846 -10.383 4.448 1.00 0.00 C ATOM 0 H THR A 59 7.590 -9.713 2.958 1.00 0.00 H new ATOM 0 HA THR A 59 8.582 -11.180 5.220 1.00 0.00 H new ATOM 0 HB THR A 59 9.769 -8.650 5.056 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.376 -9.831 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.718 -9.833 4.095 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.009 -10.698 5.479 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.692 -11.261 3.820 1.00 0.00 H new ATOM 871 N LEU A 60 6.701 -8.612 5.719 1.00 0.00 N ATOM 872 CA LEU A 60 6.043 -7.810 6.748 1.00 0.00 C ATOM 873 C LEU A 60 5.894 -8.590 8.053 1.00 0.00 C ATOM 874 O LEU A 60 5.802 -9.818 8.048 1.00 0.00 O ATOM 875 CB LEU A 60 4.669 -7.353 6.264 1.00 0.00 C ATOM 876 CG LEU A 60 4.636 -5.975 5.603 1.00 0.00 C ATOM 877 CD1 LEU A 60 4.564 -4.881 6.656 1.00 0.00 C ATOM 878 CD2 LEU A 60 5.847 -5.773 4.704 1.00 0.00 C ATOM 0 H LEU A 60 6.302 -8.515 4.785 1.00 0.00 H new ATOM 0 HA LEU A 60 6.670 -6.939 6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.289 -8.088 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.986 -7.347 7.113 1.00 0.00 H new ATOM 0 HG LEU A 60 3.742 -5.918 4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.541 -3.907 6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.661 -5.009 7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.438 -4.942 7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.799 -4.785 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.758 -5.854 5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.852 -6.535 3.924 1.00 0.00 H new ATOM 890 N PRO A 61 5.872 -7.879 9.191 1.00 0.00 N ATOM 891 CA PRO A 61 5.735 -8.499 10.514 1.00 0.00 C ATOM 892 C PRO A 61 4.471 -9.346 10.636 1.00 0.00 C ATOM 893 O PRO A 61 3.849 -9.699 9.634 1.00 0.00 O ATOM 894 CB PRO A 61 5.667 -7.303 11.471 1.00 0.00 C ATOM 895 CG PRO A 61 6.300 -6.179 10.726 1.00 0.00 C ATOM 896 CD PRO A 61 5.978 -6.414 9.278 1.00 0.00 C ATOM 0 HA PRO A 61 6.558 -9.183 10.723 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.636 -7.069 11.738 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.198 -7.510 12.400 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.910 -5.218 11.062 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.378 -6.160 10.889 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.048 -5.925 8.988 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.759 -6.027 8.624 1.00 0.00 H new ATOM 904 N GLU A 62 4.102 -9.665 11.872 1.00 0.00 N ATOM 905 CA GLU A 62 2.917 -10.470 12.137 1.00 0.00 C ATOM 906 C GLU A 62 1.651 -9.698 11.828 1.00 0.00 C ATOM 907 O GLU A 62 1.691 -8.642 11.207 1.00 0.00 O ATOM 908 CB GLU A 62 2.906 -10.936 13.594 1.00 0.00 C ATOM 909 CG GLU A 62 2.617 -9.821 14.587 1.00 0.00 C ATOM 910 CD GLU A 62 3.061 -10.165 15.995 1.00 0.00 C ATOM 911 OE1 GLU A 62 2.776 -11.294 16.447 1.00 0.00 O ATOM 912 OE2 GLU A 62 3.697 -9.308 16.642 1.00 0.00 O ATOM 0 H GLU A 62 4.609 -9.377 12.709 1.00 0.00 H new ATOM 0 HA GLU A 62 2.951 -11.342 11.485 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.156 -11.719 13.711 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.872 -11.382 13.832 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.122 -8.911 14.263 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.548 -9.609 14.589 1.00 0.00 H new ATOM 919 N ASN A 63 0.528 -10.262 12.253 1.00 0.00 N ATOM 920 CA ASN A 63 -0.776 -9.683 12.027 1.00 0.00 C ATOM 921 C ASN A 63 -0.766 -8.165 12.185 1.00 0.00 C ATOM 922 O ASN A 63 -1.335 -7.626 13.133 1.00 0.00 O ATOM 923 CB ASN A 63 -1.795 -10.294 12.989 1.00 0.00 C ATOM 924 CG ASN A 63 -3.191 -9.735 12.784 1.00 0.00 C ATOM 925 OD1 ASN A 63 -3.903 -10.137 11.863 1.00 0.00 O ATOM 926 ND2 ASN A 63 -3.588 -8.804 13.643 1.00 0.00 N ATOM 0 H ASN A 63 0.504 -11.142 12.768 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.057 -9.908 10.998 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.816 -11.375 12.853 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.479 -10.108 14.015 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.517 -8.392 13.555 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.964 -8.501 14.391 1.00 0.00 H new ATOM 933 N THR A 64 -0.124 -7.481 11.247 1.00 0.00 N ATOM 934 CA THR A 64 -0.047 -6.024 11.283 1.00 0.00 C ATOM 935 C THR A 64 -0.651 -5.417 10.025 1.00 0.00 C ATOM 936 O THR A 64 -0.545 -5.981 8.937 1.00 0.00 O ATOM 937 CB THR A 64 1.402 -5.562 11.425 1.00 0.00 C ATOM 938 OG1 THR A 64 2.271 -6.386 10.665 1.00 0.00 O ATOM 939 CG2 THR A 64 1.895 -5.560 12.856 1.00 0.00 C ATOM 0 H THR A 64 0.351 -7.910 10.452 1.00 0.00 H new ATOM 0 HA THR A 64 -0.616 -5.685 12.148 1.00 0.00 H new ATOM 0 HB THR A 64 1.414 -4.536 11.057 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.371 -7.254 11.110 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.931 -5.221 12.884 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.278 -4.888 13.453 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.832 -6.569 13.264 1.00 0.00 H new ATOM 947 N THR A 65 -1.287 -4.260 10.180 1.00 0.00 N ATOM 948 CA THR A 65 -1.909 -3.584 9.057 1.00 0.00 C ATOM 949 C THR A 65 -0.961 -2.590 8.415 1.00 0.00 C ATOM 950 O THR A 65 -0.973 -1.398 8.721 1.00 0.00 O ATOM 951 CB THR A 65 -3.176 -2.886 9.502 1.00 0.00 C ATOM 952 OG1 THR A 65 -3.616 -1.962 8.523 1.00 0.00 O ATOM 953 CG2 THR A 65 -3.031 -2.142 10.812 1.00 0.00 C ATOM 0 H THR A 65 -1.383 -3.775 11.072 1.00 0.00 H new ATOM 0 HA THR A 65 -2.160 -4.338 8.311 1.00 0.00 H new ATOM 0 HB THR A 65 -3.904 -3.685 9.642 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.222 -2.412 7.897 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.978 -1.667 11.067 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.752 -2.842 11.599 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.258 -1.380 10.714 1.00 0.00 H new ATOM 961 N LYS A 66 -0.154 -3.106 7.512 1.00 0.00 N ATOM 962 CA LYS A 66 0.811 -2.294 6.787 1.00 0.00 C ATOM 963 C LYS A 66 0.097 -1.288 5.888 1.00 0.00 C ATOM 964 O LYS A 66 -0.241 -1.596 4.745 1.00 0.00 O ATOM 965 CB LYS A 66 1.738 -3.187 5.959 1.00 0.00 C ATOM 966 CG LYS A 66 2.853 -2.431 5.255 1.00 0.00 C ATOM 967 CD LYS A 66 3.708 -1.646 6.239 1.00 0.00 C ATOM 968 CE LYS A 66 5.145 -1.524 5.757 1.00 0.00 C ATOM 969 NZ LYS A 66 6.085 -1.241 6.877 1.00 0.00 N ATOM 0 H LYS A 66 -0.145 -4.094 7.258 1.00 0.00 H new ATOM 0 HA LYS A 66 1.412 -1.742 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.179 -3.941 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.145 -3.718 5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.481 -3.134 4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.424 -1.749 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.284 -0.651 6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.690 -2.138 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.441 -2.448 5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.213 -0.727 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.653 -0.400 6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.545 -1.068 7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.714 -2.057 7.017 1.00 0.00 H new ATOM 983 N THR A 67 -0.136 -0.095 6.416 1.00 0.00 N ATOM 984 CA THR A 67 -0.821 0.946 5.665 1.00 0.00 C ATOM 985 C THR A 67 0.117 1.637 4.687 1.00 0.00 C ATOM 986 O THR A 67 1.209 2.062 5.064 1.00 0.00 O ATOM 987 CB THR A 67 -1.419 1.975 6.627 1.00 0.00 C ATOM 988 OG1 THR A 67 -2.043 3.028 5.913 1.00 0.00 O ATOM 989 CG2 THR A 67 -0.395 2.593 7.555 1.00 0.00 C ATOM 0 H THR A 67 0.139 0.175 7.360 1.00 0.00 H new ATOM 0 HA THR A 67 -1.619 0.475 5.090 1.00 0.00 H new ATOM 0 HB THR A 67 -2.142 1.422 7.226 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.282 2.718 5.015 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.885 3.313 8.210 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.069 1.812 8.157 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.370 3.100 6.967 1.00 0.00 H new ATOM 997 N LEU A 68 -0.303 1.745 3.429 1.00 0.00 N ATOM 998 CA LEU A 68 0.494 2.378 2.400 1.00 0.00 C ATOM 999 C LEU A 68 0.001 3.793 2.110 1.00 0.00 C ATOM 1000 O LEU A 68 -0.933 3.982 1.338 1.00 0.00 O ATOM 1001 CB LEU A 68 0.428 1.554 1.122 1.00 0.00 C ATOM 1002 CG LEU A 68 -0.897 0.845 0.872 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -1.088 0.583 -0.609 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -0.964 -0.446 1.655 1.00 0.00 C ATOM 0 H LEU A 68 -1.204 1.395 3.102 1.00 0.00 H new ATOM 0 HA LEU A 68 1.522 2.436 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.636 2.209 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.221 0.807 1.150 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.704 1.493 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.040 0.076 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.086 1.530 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.276 -0.045 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.917 -0.938 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.149 -1.101 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.874 -0.231 2.720 1.00 0.00 H new ATOM 1016 N THR A 69 0.637 4.783 2.726 1.00 0.00 N ATOM 1017 CA THR A 69 0.250 6.171 2.518 1.00 0.00 C ATOM 1018 C THR A 69 1.166 6.851 1.506 1.00 0.00 C ATOM 1019 O THR A 69 2.268 7.280 1.844 1.00 0.00 O ATOM 1020 CB THR A 69 0.292 6.945 3.837 1.00 0.00 C ATOM 1021 OG1 THR A 69 -0.429 6.260 4.843 1.00 0.00 O ATOM 1022 CG2 THR A 69 -0.274 8.341 3.729 1.00 0.00 C ATOM 0 H THR A 69 1.418 4.651 3.369 1.00 0.00 H new ATOM 0 HA THR A 69 -0.768 6.173 2.129 1.00 0.00 H new ATOM 0 HB THR A 69 1.348 7.021 4.095 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.032 5.424 5.064 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.214 8.834 4.699 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.299 8.910 2.997 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.316 8.288 3.413 1.00 0.00 H new ATOM 1030 N PHE A 70 0.702 6.958 0.264 1.00 0.00 N ATOM 1031 CA PHE A 70 1.480 7.599 -0.778 1.00 0.00 C ATOM 1032 C PHE A 70 1.570 9.098 -0.524 1.00 0.00 C ATOM 1033 O PHE A 70 0.569 9.810 -0.607 1.00 0.00 O ATOM 1034 CB PHE A 70 0.842 7.347 -2.144 1.00 0.00 C ATOM 1035 CG PHE A 70 0.315 5.954 -2.329 1.00 0.00 C ATOM 1036 CD1 PHE A 70 1.174 4.906 -2.624 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -1.035 5.695 -2.217 1.00 0.00 C ATOM 1038 CE1 PHE A 70 0.686 3.624 -2.800 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -1.527 4.416 -2.393 1.00 0.00 C ATOM 1040 CZ PHE A 70 -0.664 3.381 -2.684 1.00 0.00 C ATOM 0 H PHE A 70 -0.207 6.608 -0.039 1.00 0.00 H new ATOM 0 HA PHE A 70 2.484 7.176 -0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.025 8.054 -2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.580 7.550 -2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.234 5.093 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.716 6.502 -1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.363 2.814 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.587 4.227 -2.303 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.047 2.380 -2.821 1.00 0.00 H new ATOM 1050 N ASP A 71 2.769 9.578 -0.219 1.00 0.00 N ATOM 1051 CA ASP A 71 2.963 10.998 0.039 1.00 0.00 C ATOM 1052 C ASP A 71 2.799 11.804 -1.235 1.00 0.00 C ATOM 1053 O ASP A 71 3.701 11.876 -2.064 1.00 0.00 O ATOM 1054 CB ASP A 71 4.340 11.251 0.634 1.00 0.00 C ATOM 1055 CG ASP A 71 4.600 12.723 0.887 1.00 0.00 C ATOM 1056 OD1 ASP A 71 3.626 13.461 1.151 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.776 13.141 0.822 1.00 0.00 O ATOM 0 H ASP A 71 3.614 9.011 -0.145 1.00 0.00 H new ATOM 0 HA ASP A 71 2.204 11.315 0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.434 10.702 1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.102 10.861 -0.041 1.00 0.00 H new ATOM 1062 N PHE A 72 1.631 12.401 -1.372 1.00 0.00 N ATOM 1063 CA PHE A 72 1.312 13.213 -2.539 1.00 0.00 C ATOM 1064 C PHE A 72 1.661 14.677 -2.290 1.00 0.00 C ATOM 1065 O PHE A 72 1.130 15.574 -2.943 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.165 13.076 -2.896 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.408 12.255 -4.131 1.00 0.00 C ATOM 1068 CD1 PHE A 72 -0.328 12.831 -5.388 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.710 10.906 -4.034 1.00 0.00 C ATOM 1070 CE1 PHE A 72 -0.541 12.078 -6.524 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -0.923 10.148 -5.166 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.840 10.735 -6.414 1.00 0.00 C ATOM 0 H PHE A 72 0.879 12.340 -0.686 1.00 0.00 H new ATOM 0 HA PHE A 72 1.909 12.854 -3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.693 12.622 -2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.590 14.069 -3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.096 13.882 -5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.779 10.443 -3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.474 12.539 -7.498 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.154 9.097 -5.077 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.009 10.144 -7.302 1.00 0.00 H new ATOM 1082 N GLY A 73 2.552 14.911 -1.331 1.00 0.00 N ATOM 1083 CA GLY A 73 2.956 16.266 -1.009 1.00 0.00 C ATOM 1084 C GLY A 73 1.818 17.091 -0.445 1.00 0.00 C ATOM 1085 O GLY A 73 1.972 18.289 -0.206 1.00 0.00 O ATOM 0 H GLY A 73 3.001 14.186 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.772 16.237 -0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.342 16.750 -1.906 1.00 0.00 H new ATOM 1089 N VAL A 74 0.678 16.448 -0.233 1.00 0.00 N ATOM 1090 CA VAL A 74 -0.483 17.125 0.309 1.00 0.00 C ATOM 1091 C VAL A 74 -0.934 16.471 1.607 1.00 0.00 C ATOM 1092 O VAL A 74 -1.219 17.154 2.592 1.00 0.00 O ATOM 1093 CB VAL A 74 -1.656 17.116 -0.686 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -1.386 18.079 -1.832 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -1.905 15.711 -1.211 1.00 0.00 C ATOM 0 H VAL A 74 0.536 15.457 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.188 18.157 0.501 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.554 17.446 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.225 18.061 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.262 19.088 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.477 17.779 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.739 15.727 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.011 15.348 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.144 15.049 -0.379 1.00 0.00 H new ATOM 1105 N GLY A 75 -0.989 15.145 1.605 1.00 0.00 N ATOM 1106 CA GLY A 75 -1.396 14.413 2.792 1.00 0.00 C ATOM 1107 C GLY A 75 -2.897 14.412 3.023 1.00 0.00 C ATOM 1108 O GLY A 75 -3.458 13.420 3.484 1.00 0.00 O ATOM 0 H GLY A 75 -0.759 14.561 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.049 13.383 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.904 14.847 3.662 1.00 0.00 H new ATOM 1112 N THR A 76 -3.544 15.521 2.706 1.00 0.00 N ATOM 1113 CA THR A 76 -4.986 15.650 2.887 1.00 0.00 C ATOM 1114 C THR A 76 -5.718 14.504 2.207 1.00 0.00 C ATOM 1115 O THR A 76 -6.226 13.596 2.865 1.00 0.00 O ATOM 1116 CB THR A 76 -5.476 16.987 2.331 1.00 0.00 C ATOM 1117 OG1 THR A 76 -4.902 18.068 3.044 1.00 0.00 O ATOM 1118 CG2 THR A 76 -6.978 17.145 2.391 1.00 0.00 C ATOM 0 H THR A 76 -3.093 16.351 2.320 1.00 0.00 H new ATOM 0 HA THR A 76 -5.199 15.613 3.955 1.00 0.00 H new ATOM 0 HB THR A 76 -5.167 16.995 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.227 18.914 2.672 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.258 18.115 1.981 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.451 16.354 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.310 17.079 3.427 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.769 14.552 0.883 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.439 13.521 0.110 1.00 0.00 C ATOM 1128 C LYS A 77 -5.503 12.351 -0.177 1.00 0.00 C ATOM 1129 O LYS A 77 -5.831 11.460 -0.958 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.976 14.102 -1.195 1.00 0.00 C ATOM 1131 CG LYS A 77 -5.941 14.197 -2.306 1.00 0.00 C ATOM 1132 CD LYS A 77 -4.641 14.834 -1.842 1.00 0.00 C ATOM 1133 CE LYS A 77 -4.724 16.356 -1.811 1.00 0.00 C ATOM 1134 NZ LYS A 77 -6.102 16.851 -1.540 1.00 0.00 N ATOM 0 H LYS A 77 -5.353 15.296 0.323 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.275 13.147 0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.807 13.486 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.376 15.097 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.735 13.199 -2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.352 14.779 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.393 14.465 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.832 14.529 -2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.048 16.737 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.381 16.754 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.112 17.890 -1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.754 16.471 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.404 16.538 -0.595 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.343 12.356 0.466 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.361 11.292 0.289 1.00 0.00 C ATOM 1150 C ASN A 78 -4.036 9.922 0.319 1.00 0.00 C ATOM 1151 O ASN A 78 -4.890 9.665 1.168 1.00 0.00 O ATOM 1152 CB ASN A 78 -2.292 11.377 1.380 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.268 10.260 1.284 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.572 9.154 0.842 1.00 0.00 O ATOM 1155 ND2 ASN A 78 -0.044 10.548 1.706 1.00 0.00 N ATOM 0 H ASN A 78 -4.057 13.087 1.117 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.887 11.419 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.783 12.338 1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.773 11.341 2.358 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.688 9.838 1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.166 11.479 2.066 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.664 9.022 -0.601 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.235 7.684 -0.673 1.00 0.00 C ATOM 1164 C PRO A 79 -3.534 6.706 0.255 1.00 0.00 C ATOM 1165 O PRO A 79 -2.604 6.009 -0.140 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.030 7.281 -2.142 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.125 8.312 -2.752 1.00 0.00 C ATOM 1168 CD PRO A 79 -2.662 9.229 -1.649 1.00 0.00 C ATOM 0 HA PRO A 79 -5.279 7.670 -0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.587 6.288 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.983 7.243 -2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.272 7.834 -3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.652 8.876 -3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.660 8.972 -1.305 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.630 10.268 -1.976 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.983 6.661 1.503 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.393 5.768 2.490 1.00 0.00 C ATOM 1178 C LYS A 80 -4.224 4.505 2.653 1.00 0.00 C ATOM 1179 O LYS A 80 -5.316 4.534 3.219 1.00 0.00 O ATOM 1180 CB LYS A 80 -3.241 6.471 3.840 1.00 0.00 C ATOM 1181 CG LYS A 80 -4.279 7.552 4.093 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.847 8.885 3.504 1.00 0.00 C ATOM 1183 CE LYS A 80 -2.892 9.621 4.431 1.00 0.00 C ATOM 1184 NZ LYS A 80 -3.555 10.765 5.117 1.00 0.00 N ATOM 0 H LYS A 80 -4.752 7.231 1.854 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.404 5.487 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.304 5.728 4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.247 6.915 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.232 7.252 3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.439 7.661 5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.365 8.719 2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.725 9.504 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.502 8.927 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.039 9.986 3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.091 10.938 6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.480 11.616 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.558 10.541 5.275 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.692 3.394 2.157 1.00 0.00 N ATOM 1199 CA LEU A 81 -4.378 2.116 2.252 1.00 0.00 C ATOM 1200 C LEU A 81 -3.908 1.344 3.468 1.00 0.00 C ATOM 1201 O LEU A 81 -2.937 1.721 4.121 1.00 0.00 O ATOM 1202 CB LEU A 81 -4.162 1.268 1.000 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.776 2.041 -0.254 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.884 1.143 -1.472 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.650 3.273 -0.411 1.00 0.00 C ATOM 0 H LEU A 81 -2.788 3.355 1.686 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.443 2.330 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.383 0.535 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.077 0.712 0.796 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.742 2.372 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.606 1.705 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.214 0.291 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.910 0.787 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.360 3.813 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.694 2.971 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.524 3.921 0.456 1.00 0.00 H new ATOM 1217 N THR A 82 -4.606 0.262 3.761 1.00 0.00 N ATOM 1218 CA THR A 82 -4.271 -0.571 4.903 1.00 0.00 C ATOM 1219 C THR A 82 -4.095 -2.031 4.492 1.00 0.00 C ATOM 1220 O THR A 82 -5.035 -2.671 4.018 1.00 0.00 O ATOM 1221 CB THR A 82 -5.357 -0.456 5.973 1.00 0.00 C ATOM 1222 OG1 THR A 82 -6.399 0.395 5.538 1.00 0.00 O ATOM 1223 CG2 THR A 82 -4.847 0.072 7.294 1.00 0.00 C ATOM 0 H THR A 82 -5.410 -0.062 3.223 1.00 0.00 H new ATOM 0 HA THR A 82 -3.324 -0.218 5.311 1.00 0.00 H new ATOM 0 HB THR A 82 -5.718 -1.473 6.128 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.085 0.455 6.235 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.670 0.128 8.006 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.078 -0.596 7.680 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.425 1.066 7.150 1.00 0.00 H new ATOM 1231 N ILE A 83 -2.888 -2.554 4.689 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.591 -3.943 4.352 1.00 0.00 C ATOM 1233 C ILE A 83 -2.541 -4.805 5.605 1.00 0.00 C ATOM 1234 O ILE A 83 -1.530 -4.838 6.305 1.00 0.00 O ATOM 1235 CB ILE A 83 -1.243 -4.075 3.615 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -1.220 -3.181 2.369 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -0.976 -5.531 3.258 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.321 -3.930 1.056 1.00 0.00 C ATOM 0 H ILE A 83 -2.100 -2.037 5.080 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.392 -4.284 3.696 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.446 -3.740 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.044 -2.471 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.298 -2.600 2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.021 -5.609 2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.943 -6.129 4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.772 -5.899 2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.297 -3.220 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.483 -4.621 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.256 -4.489 1.027 1.00 0.00 H new ATOM 1250 N THR A 84 -3.632 -5.507 5.884 1.00 0.00 N ATOM 1251 CA THR A 84 -3.696 -6.373 7.053 1.00 0.00 C ATOM 1252 C THR A 84 -2.911 -7.653 6.798 1.00 0.00 C ATOM 1253 O THR A 84 -3.464 -8.650 6.336 1.00 0.00 O ATOM 1254 CB THR A 84 -5.149 -6.697 7.395 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.796 -5.569 7.954 1.00 0.00 O ATOM 1256 CG2 THR A 84 -5.299 -7.843 8.374 1.00 0.00 C ATOM 0 H THR A 84 -4.481 -5.494 5.319 1.00 0.00 H new ATOM 0 HA THR A 84 -3.251 -5.853 7.901 1.00 0.00 H new ATOM 0 HB THR A 84 -5.606 -6.989 6.450 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.726 -5.796 8.165 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.357 -8.017 8.571 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.855 -8.744 7.950 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.793 -7.594 9.307 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.615 -7.615 7.095 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.759 -8.773 6.889 1.00 0.00 C ATOM 1266 C VAL A 85 -0.670 -9.618 8.150 1.00 0.00 C ATOM 1267 O VAL A 85 -0.264 -9.140 9.205 1.00 0.00 O ATOM 1268 CB VAL A 85 0.657 -8.362 6.441 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.103 -7.092 7.153 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.653 -9.489 6.673 1.00 0.00 C ATOM 0 H VAL A 85 -1.139 -6.798 7.477 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.213 -9.365 6.095 1.00 0.00 H new ATOM 0 HB VAL A 85 0.624 -8.158 5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.105 -6.821 6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.412 -6.282 6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.111 -7.262 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.644 -9.172 6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.681 -9.737 7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.348 -10.367 6.103 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.058 -10.880 8.023 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.027 -11.801 9.151 1.00 0.00 C ATOM 1282 C LEU A 86 -0.468 -13.159 8.741 1.00 0.00 C ATOM 1283 O LEU A 86 -1.163 -13.962 8.124 1.00 0.00 O ATOM 1284 CB LEU A 86 -2.431 -11.970 9.736 1.00 0.00 C ATOM 1285 CG LEU A 86 -3.538 -12.184 8.705 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -4.704 -12.941 9.325 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.007 -10.852 8.141 1.00 0.00 C ATOM 0 H LEU A 86 -1.397 -11.289 7.152 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.370 -11.377 9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.424 -12.818 10.420 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.671 -11.086 10.327 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.135 -12.781 7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.484 -13.085 8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.359 -13.912 9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.105 -12.369 10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.795 -11.024 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.392 -10.230 8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.170 -10.345 7.661 1.00 0.00 H new