USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 723 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 53 SER OG : rot 180:sc= -0.352 USER MOD Set 1.2: A 65 THR OG1 : rot -170:sc= -0.4 USER MOD Set 2.1: A 37 CYS SG : rot -139:sc= -11.9! USER MOD Set 2.2: A 47 CYS SG : rot -86:sc= -19.8! USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -3.78! C(o=-10!,f=-8.9!) USER MOD Set 3.2: A 32 TYR OH : rot 25:sc= 0.121 USER MOD Set 3.3: A 103 ASN : amide:sc= -5.26! C(o=-8.9!,f=-9.3!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 8 THR OG1 : rot 180:sc= -4.21! USER MOD Single : A 10 SER OG : rot 29:sc= 0.06 USER MOD Single : A 11 SER OG : rot 33:sc= 0.926 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0231 USER MOD Single : A 17 THR OG1 : rot 95:sc= -1.07 USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0676) USER MOD Single : A 30 THR OG1 : rot -170:sc=-0.00139 USER MOD Single : A 36 GLN : amide:sc= -13.1! C(o=-13!,f=-17!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -9.58! C(o=-9.6!,f=-10!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.448 K(o=-0.45,f=-3.1!) USER MOD Single : A 62 SER OG : rot 39:sc= 0.366 USER MOD Single : A 64 SER OG : rot 6:sc= 0.425! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 100:sc= -1.75! USER MOD Single : A 72 SER OG : rot 43:sc= 0.613 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.476 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 71:sc= -2.46! USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.049 12.904 -4.930 1.00 0.00 N ATOM 12 CA ALA A 2 3.627 11.840 -4.135 1.00 0.00 C ATOM 13 C ALA A 2 4.972 12.283 -3.579 1.00 0.00 C ATOM 14 O ALA A 2 5.866 12.655 -4.336 1.00 0.00 O ATOM 15 CB ALA A 2 3.783 10.590 -4.996 1.00 0.00 C ATOM 0 HA ALA A 2 2.969 11.609 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.218 9.789 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.806 10.278 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.437 10.809 -5.840 1.00 0.00 H new ATOM 21 N PRO A 3 5.114 12.244 -2.252 1.00 0.00 N ATOM 22 CA PRO A 3 6.320 12.627 -1.549 1.00 0.00 C ATOM 23 C PRO A 3 7.394 11.571 -1.766 1.00 0.00 C ATOM 24 O PRO A 3 7.173 10.596 -2.482 1.00 0.00 O ATOM 25 CB PRO A 3 5.910 12.697 -0.080 1.00 0.00 C ATOM 26 CG PRO A 3 4.793 11.659 0.010 1.00 0.00 C ATOM 27 CD PRO A 3 4.083 11.813 -1.333 1.00 0.00 C ATOM 0 HA PRO A 3 6.731 13.575 -1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.740 12.456 0.584 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.561 13.692 0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.186 10.652 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.123 11.856 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.636 10.872 -1.654 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.277 12.544 -1.272 1.00 0.00 H new ATOM 35 N THR A 4 8.561 11.766 -1.147 1.00 0.00 N ATOM 36 CA THR A 4 9.658 10.830 -1.279 1.00 0.00 C ATOM 37 C THR A 4 9.710 9.917 -0.063 1.00 0.00 C ATOM 38 O THR A 4 10.027 10.362 1.038 1.00 0.00 O ATOM 39 CB THR A 4 10.967 11.600 -1.433 1.00 0.00 C ATOM 40 OG1 THR A 4 11.152 11.946 -2.787 1.00 0.00 O ATOM 41 CG2 THR A 4 12.129 10.727 -0.968 1.00 0.00 C ATOM 0 H THR A 4 8.762 12.568 -0.550 1.00 0.00 H new ATOM 0 HA THR A 4 9.508 10.212 -2.164 1.00 0.00 H new ATOM 0 HB THR A 4 10.929 12.506 -0.828 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.991 12.442 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.064 11.277 -1.078 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.987 10.459 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.168 9.821 -1.572 1.00 0.00 H new ATOM 49 N ALA A 5 9.399 8.634 -0.265 1.00 0.00 N ATOM 50 CA ALA A 5 9.410 7.666 0.813 1.00 0.00 C ATOM 51 C ALA A 5 10.278 6.477 0.428 1.00 0.00 C ATOM 52 O ALA A 5 10.533 6.248 -0.752 1.00 0.00 O ATOM 53 CB ALA A 5 7.981 7.220 1.110 1.00 0.00 C ATOM 0 H ALA A 5 9.137 8.249 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 5 9.828 8.120 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.988 6.492 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.384 8.083 1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.549 6.766 0.218 1.00 0.00 H new ATOM 59 N THR A 6 10.732 5.717 1.428 1.00 0.00 N ATOM 60 CA THR A 6 11.567 4.558 1.184 1.00 0.00 C ATOM 61 C THR A 6 10.936 3.323 1.812 1.00 0.00 C ATOM 62 O THR A 6 10.707 3.285 3.019 1.00 0.00 O ATOM 63 CB THR A 6 12.959 4.805 1.759 1.00 0.00 C ATOM 64 OG1 THR A 6 12.848 5.535 2.961 1.00 0.00 O ATOM 65 CG2 THR A 6 13.790 5.600 0.756 1.00 0.00 C ATOM 0 H THR A 6 10.530 5.891 2.413 1.00 0.00 H new ATOM 0 HA THR A 6 11.655 4.389 0.111 1.00 0.00 H new ATOM 0 HB THR A 6 13.445 3.850 1.957 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.741 5.693 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.784 5.777 1.166 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.876 5.037 -0.173 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.304 6.555 0.557 1.00 0.00 H new ATOM 73 N VAL A 7 10.655 2.311 0.988 1.00 0.00 N ATOM 74 CA VAL A 7 10.054 1.082 1.463 1.00 0.00 C ATOM 75 C VAL A 7 11.009 -0.081 1.234 1.00 0.00 C ATOM 76 O VAL A 7 11.751 -0.093 0.255 1.00 0.00 O ATOM 77 CB VAL A 7 8.732 0.849 0.736 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.225 -0.558 1.041 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.705 1.873 1.208 1.00 0.00 C ATOM 0 H VAL A 7 10.839 2.328 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 7 9.856 1.158 2.532 1.00 0.00 H new ATOM 0 HB VAL A 7 8.884 0.956 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.281 -0.725 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.959 -1.290 0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.073 -0.665 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.761 1.707 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.552 1.767 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.067 2.878 0.991 1.00 0.00 H new ATOM 89 N THR A 8 10.988 -1.061 2.140 1.00 0.00 N ATOM 90 CA THR A 8 11.851 -2.220 2.027 1.00 0.00 C ATOM 91 C THR A 8 11.417 -3.077 0.847 1.00 0.00 C ATOM 92 O THR A 8 10.339 -2.875 0.293 1.00 0.00 O ATOM 93 CB THR A 8 11.798 -3.021 3.325 1.00 0.00 C ATOM 94 OG1 THR A 8 13.098 -3.448 3.667 1.00 0.00 O ATOM 95 CG2 THR A 8 10.896 -4.237 3.136 1.00 0.00 C ATOM 0 H THR A 8 10.379 -1.067 2.958 1.00 0.00 H new ATOM 0 HA THR A 8 12.878 -1.896 1.855 1.00 0.00 H new ATOM 0 HB THR A 8 11.400 -2.394 4.123 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.065 -3.961 4.501 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.858 -4.809 4.063 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.891 -3.907 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.294 -4.864 2.338 1.00 0.00 H new ATOM 103 N PRO A 9 12.261 -4.037 0.463 1.00 0.00 N ATOM 104 CA PRO A 9 12.017 -4.948 -0.635 1.00 0.00 C ATOM 105 C PRO A 9 10.945 -5.952 -0.236 1.00 0.00 C ATOM 106 O PRO A 9 11.126 -6.712 0.712 1.00 0.00 O ATOM 107 CB PRO A 9 13.356 -5.642 -0.873 1.00 0.00 C ATOM 108 CG PRO A 9 13.989 -5.643 0.518 1.00 0.00 C ATOM 109 CD PRO A 9 13.537 -4.302 1.092 1.00 0.00 C ATOM 0 HA PRO A 9 11.662 -4.444 -1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.225 -6.653 -1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.968 -5.103 -1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.639 -6.481 1.122 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.075 -5.717 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.440 -4.349 2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.257 -3.515 0.870 1.00 0.00 H new ATOM 117 N SER A 10 9.825 -5.952 -0.962 1.00 0.00 N ATOM 118 CA SER A 10 8.732 -6.860 -0.680 1.00 0.00 C ATOM 119 C SER A 10 8.309 -7.572 -1.958 1.00 0.00 C ATOM 120 O SER A 10 7.283 -8.249 -1.983 1.00 0.00 O ATOM 121 CB SER A 10 7.564 -6.080 -0.084 1.00 0.00 C ATOM 122 OG SER A 10 6.349 -6.651 -0.514 1.00 0.00 O ATOM 0 H SER A 10 9.659 -5.327 -1.751 1.00 0.00 H new ATOM 0 HA SER A 10 9.056 -7.611 0.041 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.620 -6.095 1.004 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.616 -5.035 -0.391 1.00 0.00 H new ATOM 0 HG SER A 10 6.478 -7.608 -0.679 1.00 0.00 H new ATOM 128 N SER A 11 9.103 -7.417 -3.020 1.00 0.00 N ATOM 129 CA SER A 11 8.808 -8.046 -4.291 1.00 0.00 C ATOM 130 C SER A 11 9.364 -9.463 -4.309 1.00 0.00 C ATOM 131 O SER A 11 10.574 -9.656 -4.414 1.00 0.00 O ATOM 132 CB SER A 11 9.409 -7.215 -5.421 1.00 0.00 C ATOM 133 OG SER A 11 10.805 -7.124 -5.245 1.00 0.00 O ATOM 0 H SER A 11 9.956 -6.858 -3.016 1.00 0.00 H new ATOM 0 HA SER A 11 7.728 -8.100 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.182 -7.673 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.967 -6.219 -5.429 1.00 0.00 H new ATOM 0 HG SER A 11 11.136 -7.946 -4.827 1.00 0.00 H new ATOM 139 N GLY A 12 8.478 -10.456 -4.206 1.00 0.00 N ATOM 140 CA GLY A 12 8.890 -11.846 -4.212 1.00 0.00 C ATOM 141 C GLY A 12 8.877 -12.406 -2.797 1.00 0.00 C ATOM 142 O GLY A 12 9.439 -13.469 -2.542 1.00 0.00 O ATOM 0 H GLY A 12 7.472 -10.315 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.222 -12.428 -4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.890 -11.934 -4.636 1.00 0.00 H new ATOM 146 N LEU A 13 8.233 -11.686 -1.875 1.00 0.00 N ATOM 147 CA LEU A 13 8.150 -12.112 -0.492 1.00 0.00 C ATOM 148 C LEU A 13 6.747 -12.622 -0.192 1.00 0.00 C ATOM 149 O LEU A 13 5.762 -12.005 -0.591 1.00 0.00 O ATOM 150 CB LEU A 13 8.508 -10.944 0.422 1.00 0.00 C ATOM 151 CG LEU A 13 9.569 -10.079 -0.251 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.294 -9.249 0.805 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.572 -10.974 -0.973 1.00 0.00 C ATOM 0 H LEU A 13 7.762 -10.803 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 13 8.855 -12.924 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.620 -10.349 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.879 -11.316 1.377 1.00 0.00 H new ATOM 0 HG LEU A 13 9.092 -9.414 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.052 -8.631 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.577 -8.609 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.771 -9.913 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.330 -10.356 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.049 -11.640 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.054 -11.566 -1.728 1.00 0.00 H new ATOM 165 N SER A 14 6.659 -13.751 0.515 1.00 0.00 N ATOM 166 CA SER A 14 5.380 -14.335 0.865 1.00 0.00 C ATOM 167 C SER A 14 4.936 -13.826 2.229 1.00 0.00 C ATOM 168 O SER A 14 5.665 -13.085 2.886 1.00 0.00 O ATOM 169 CB SER A 14 5.500 -15.856 0.868 1.00 0.00 C ATOM 170 OG SER A 14 4.211 -16.428 0.876 1.00 0.00 O ATOM 0 H SER A 14 7.467 -14.274 0.853 1.00 0.00 H new ATOM 0 HA SER A 14 4.630 -14.044 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.052 -16.190 -0.010 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.062 -16.186 1.742 1.00 0.00 H new ATOM 0 HG SER A 14 4.287 -17.405 0.876 1.00 0.00 H new ATOM 176 N ASP A 15 3.736 -14.226 2.656 1.00 0.00 N ATOM 177 CA ASP A 15 3.202 -13.809 3.937 1.00 0.00 C ATOM 178 C ASP A 15 4.280 -13.925 5.005 1.00 0.00 C ATOM 179 O ASP A 15 5.194 -14.737 4.883 1.00 0.00 O ATOM 180 CB ASP A 15 1.996 -14.675 4.289 1.00 0.00 C ATOM 181 CG ASP A 15 1.356 -14.212 5.591 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.955 -14.497 6.650 1.00 0.00 O ATOM 183 OD2 ASP A 15 0.281 -13.581 5.502 1.00 0.00 O ATOM 0 H ASP A 15 3.120 -14.841 2.124 1.00 0.00 H new ATOM 0 HA ASP A 15 2.882 -12.768 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.264 -14.630 3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.305 -15.716 4.381 1.00 0.00 H new ATOM 188 N GLY A 16 4.172 -13.109 6.057 1.00 0.00 N ATOM 189 CA GLY A 16 5.138 -13.127 7.137 1.00 0.00 C ATOM 190 C GLY A 16 6.193 -12.051 6.919 1.00 0.00 C ATOM 191 O GLY A 16 6.832 -11.604 7.869 1.00 0.00 O ATOM 0 H GLY A 16 3.421 -12.430 6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.633 -12.963 8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.613 -14.106 7.193 1.00 0.00 H new ATOM 195 N THR A 17 6.374 -11.636 5.664 1.00 0.00 N ATOM 196 CA THR A 17 7.349 -10.616 5.333 1.00 0.00 C ATOM 197 C THR A 17 6.860 -9.256 5.810 1.00 0.00 C ATOM 198 O THR A 17 5.667 -8.965 5.746 1.00 0.00 O ATOM 199 CB THR A 17 7.582 -10.607 3.824 1.00 0.00 C ATOM 200 OG1 THR A 17 8.339 -11.740 3.460 1.00 0.00 O ATOM 201 CG2 THR A 17 8.341 -9.342 3.434 1.00 0.00 C ATOM 0 H THR A 17 5.853 -11.996 4.864 1.00 0.00 H new ATOM 0 HA THR A 17 8.292 -10.835 5.833 1.00 0.00 H new ATOM 0 HB THR A 17 6.622 -10.629 3.307 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.737 -12.457 3.172 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.508 -9.335 2.357 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.757 -8.466 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.301 -9.320 3.950 1.00 0.00 H new ATOM 209 N VAL A 18 7.786 -8.423 6.290 1.00 0.00 N ATOM 210 CA VAL A 18 7.447 -7.100 6.775 1.00 0.00 C ATOM 211 C VAL A 18 8.169 -6.047 5.946 1.00 0.00 C ATOM 212 O VAL A 18 9.396 -6.041 5.881 1.00 0.00 O ATOM 213 CB VAL A 18 7.829 -6.986 8.248 1.00 0.00 C ATOM 214 CG1 VAL A 18 9.334 -7.187 8.400 1.00 0.00 C ATOM 215 CG2 VAL A 18 7.446 -5.603 8.766 1.00 0.00 C ATOM 0 H VAL A 18 8.778 -8.651 6.350 1.00 0.00 H new ATOM 0 HA VAL A 18 6.374 -6.936 6.679 1.00 0.00 H new ATOM 0 HB VAL A 18 7.301 -7.748 8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.608 -7.106 9.452 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.608 -8.174 8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.863 -6.425 7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.718 -5.520 9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.974 -4.841 8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.371 -5.458 8.657 1.00 0.00 H new ATOM 225 N VAL A 19 7.404 -5.155 5.313 1.00 0.00 N ATOM 226 CA VAL A 19 7.972 -4.104 4.494 1.00 0.00 C ATOM 227 C VAL A 19 7.988 -2.796 5.273 1.00 0.00 C ATOM 228 O VAL A 19 7.180 -2.601 6.178 1.00 0.00 O ATOM 229 CB VAL A 19 7.156 -3.961 3.213 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.351 -5.236 2.977 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.205 -2.776 3.345 1.00 0.00 C ATOM 0 H VAL A 19 6.385 -5.147 5.358 1.00 0.00 H new ATOM 0 HA VAL A 19 8.998 -4.358 4.228 1.00 0.00 H new ATOM 0 HB VAL A 19 7.828 -3.795 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.768 -5.134 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.031 -6.083 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.679 -5.403 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.622 -2.674 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.533 -2.941 4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.780 -1.865 3.513 1.00 0.00 H new ATOM 241 N LYS A 20 8.909 -1.898 4.917 1.00 0.00 N ATOM 242 CA LYS A 20 9.023 -0.616 5.583 1.00 0.00 C ATOM 243 C LYS A 20 8.533 0.492 4.662 1.00 0.00 C ATOM 244 O LYS A 20 8.622 0.372 3.442 1.00 0.00 O ATOM 245 CB LYS A 20 10.475 -0.381 5.987 1.00 0.00 C ATOM 246 CG LYS A 20 10.550 -0.122 7.489 1.00 0.00 C ATOM 247 CD LYS A 20 10.554 1.381 7.748 1.00 0.00 C ATOM 248 CE LYS A 20 11.939 1.812 8.224 1.00 0.00 C ATOM 249 NZ LYS A 20 12.517 2.819 7.321 1.00 0.00 N ATOM 0 H LYS A 20 9.585 -2.044 4.167 1.00 0.00 H new ATOM 0 HA LYS A 20 8.404 -0.613 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.081 -1.249 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.883 0.469 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.701 -0.586 7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.451 -0.575 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.287 1.918 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.805 1.633 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.870 2.220 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.596 0.944 8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.521 2.959 7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.432 2.493 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.007 3.719 7.433 1.00 0.00 H new ATOM 263 N VAL A 21 8.014 1.573 5.249 1.00 0.00 N ATOM 264 CA VAL A 21 7.514 2.695 4.481 1.00 0.00 C ATOM 265 C VAL A 21 7.862 3.998 5.186 1.00 0.00 C ATOM 266 O VAL A 21 7.297 4.310 6.232 1.00 0.00 O ATOM 267 CB VAL A 21 6.004 2.559 4.309 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.297 3.199 5.501 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.573 3.262 3.025 1.00 0.00 C ATOM 0 H VAL A 21 7.933 1.687 6.259 1.00 0.00 H new ATOM 0 HA VAL A 21 7.979 2.703 3.495 1.00 0.00 H new ATOM 0 HB VAL A 21 5.738 1.503 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.218 3.102 5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.605 2.698 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.563 4.255 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.494 3.165 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.838 4.318 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.078 2.806 2.173 1.00 0.00 H new ATOM 279 N ALA A 22 8.796 4.759 4.611 1.00 0.00 N ATOM 280 CA ALA A 22 9.215 6.021 5.186 1.00 0.00 C ATOM 281 C ALA A 22 9.003 7.142 4.178 1.00 0.00 C ATOM 282 O ALA A 22 9.638 7.161 3.126 1.00 0.00 O ATOM 283 CB ALA A 22 10.682 5.931 5.595 1.00 0.00 C ATOM 0 H ALA A 22 9.273 4.514 3.744 1.00 0.00 H new ATOM 0 HA ALA A 22 8.618 6.238 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.998 6.880 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.806 5.137 6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.291 5.711 4.718 1.00 0.00 H new ATOM 289 N GLY A 23 8.108 8.078 4.501 1.00 0.00 N ATOM 290 CA GLY A 23 7.822 9.193 3.621 1.00 0.00 C ATOM 291 C GLY A 23 8.799 10.332 3.877 1.00 0.00 C ATOM 292 O GLY A 23 9.230 10.542 5.009 1.00 0.00 O ATOM 0 H GLY A 23 7.572 8.078 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.891 8.872 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.800 9.538 3.780 1.00 0.00 H new ATOM 296 N ALA A 24 9.149 11.068 2.819 1.00 0.00 N ATOM 297 CA ALA A 24 10.073 12.178 2.933 1.00 0.00 C ATOM 298 C ALA A 24 9.631 13.312 2.019 1.00 0.00 C ATOM 299 O ALA A 24 9.679 13.182 0.798 1.00 0.00 O ATOM 300 CB ALA A 24 11.479 11.708 2.570 1.00 0.00 C ATOM 0 H ALA A 24 8.800 10.907 1.874 1.00 0.00 H new ATOM 0 HA ALA A 24 10.081 12.546 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.175 12.543 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.783 10.911 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.485 11.334 1.546 1.00 0.00 H new ATOM 306 N GLY A 25 9.199 14.427 2.612 1.00 0.00 N ATOM 307 CA GLY A 25 8.752 15.573 1.846 1.00 0.00 C ATOM 308 C GLY A 25 7.232 15.596 1.770 1.00 0.00 C ATOM 309 O GLY A 25 6.661 16.274 0.919 1.00 0.00 O ATOM 0 H GLY A 25 9.152 14.552 3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.114 16.492 2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.173 15.534 0.841 1.00 0.00 H new ATOM 313 N LEU A 26 6.577 14.852 2.664 1.00 0.00 N ATOM 314 CA LEU A 26 5.130 14.790 2.695 1.00 0.00 C ATOM 315 C LEU A 26 4.586 15.871 3.619 1.00 0.00 C ATOM 316 O LEU A 26 5.339 16.480 4.375 1.00 0.00 O ATOM 317 CB LEU A 26 4.690 13.406 3.165 1.00 0.00 C ATOM 318 CG LEU A 26 5.881 12.453 3.123 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.694 12.597 4.406 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.379 11.017 2.996 1.00 0.00 C ATOM 0 H LEU A 26 7.037 14.284 3.376 1.00 0.00 H new ATOM 0 HA LEU A 26 4.734 14.962 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.292 13.464 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.888 13.032 2.528 1.00 0.00 H new ATOM 0 HG LEU A 26 6.510 12.695 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.545 11.916 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.053 13.622 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.066 12.355 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.229 10.336 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.750 10.774 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.799 10.914 2.079 1.00 0.00 H new ATOM 332 N GLN A 27 3.273 16.107 3.556 1.00 0.00 N ATOM 333 CA GLN A 27 2.638 17.112 4.384 1.00 0.00 C ATOM 334 C GLN A 27 3.010 16.889 5.843 1.00 0.00 C ATOM 335 O GLN A 27 2.746 15.825 6.398 1.00 0.00 O ATOM 336 CB GLN A 27 1.125 17.041 4.196 1.00 0.00 C ATOM 337 CG GLN A 27 0.757 17.582 2.817 1.00 0.00 C ATOM 338 CD GLN A 27 -0.615 17.083 2.386 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.747 15.765 2.221 1.00 0.00 O flip ATOM 340 NE2 GLN A 27 -1.537 17.875 2.208 1.00 0.00 N flip ATOM 0 H GLN A 27 2.635 15.609 2.935 1.00 0.00 H new ATOM 0 HA GLN A 27 2.983 18.103 4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.783 16.011 4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.624 17.621 4.971 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.762 18.672 2.836 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.506 17.272 2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.385 18.874 2.347 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.454 17.534 1.921 1.00 0.00 H new ATOM 349 N ALA A 28 3.626 17.898 6.464 1.00 0.00 N ATOM 350 CA ALA A 28 4.031 17.808 7.852 1.00 0.00 C ATOM 351 C ALA A 28 2.808 17.896 8.753 1.00 0.00 C ATOM 352 O ALA A 28 1.980 18.790 8.595 1.00 0.00 O ATOM 353 CB ALA A 28 5.016 18.931 8.167 1.00 0.00 C ATOM 0 H ALA A 28 3.852 18.787 6.017 1.00 0.00 H new ATOM 0 HA ALA A 28 4.521 16.851 8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.322 18.865 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.892 18.837 7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.538 19.894 7.989 1.00 0.00 H new ATOM 359 N GLY A 29 2.694 16.963 9.702 1.00 0.00 N ATOM 360 CA GLY A 29 1.572 16.944 10.619 1.00 0.00 C ATOM 361 C GLY A 29 0.337 16.379 9.930 1.00 0.00 C ATOM 362 O GLY A 29 -0.755 16.397 10.494 1.00 0.00 O ATOM 0 H GLY A 29 3.371 16.214 9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.818 16.340 11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.368 17.953 10.976 1.00 0.00 H new ATOM 366 N THR A 30 0.512 15.875 8.706 1.00 0.00 N ATOM 367 CA THR A 30 -0.587 15.309 7.952 1.00 0.00 C ATOM 368 C THR A 30 -0.633 13.802 8.154 1.00 0.00 C ATOM 369 O THR A 30 0.404 13.143 8.172 1.00 0.00 O ATOM 370 CB THR A 30 -0.418 15.652 6.474 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.425 16.559 6.084 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.532 14.378 5.640 1.00 0.00 C ATOM 0 H THR A 30 1.410 15.852 8.223 1.00 0.00 H new ATOM 0 HA THR A 30 -1.529 15.730 8.305 1.00 0.00 H new ATOM 0 HB THR A 30 0.561 16.105 6.316 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.416 16.658 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.411 14.622 4.585 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.245 13.675 5.941 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.511 13.926 5.798 1.00 0.00 H new ATOM 380 N ALA A 31 -1.842 13.256 8.305 1.00 0.00 N ATOM 381 CA ALA A 31 -2.018 11.832 8.506 1.00 0.00 C ATOM 382 C ALA A 31 -2.034 11.120 7.160 1.00 0.00 C ATOM 383 O ALA A 31 -2.407 11.709 6.148 1.00 0.00 O ATOM 384 CB ALA A 31 -3.319 11.583 9.264 1.00 0.00 C ATOM 0 H ALA A 31 -2.712 13.789 8.290 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.189 11.438 9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.452 10.512 9.416 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.278 12.084 10.231 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.157 11.975 8.687 1.00 0.00 H new ATOM 390 N TYR A 32 -1.627 9.848 7.151 1.00 0.00 N ATOM 391 CA TYR A 32 -1.595 9.067 5.931 1.00 0.00 C ATOM 392 C TYR A 32 -2.146 7.673 6.196 1.00 0.00 C ATOM 393 O TYR A 32 -1.868 7.081 7.236 1.00 0.00 O ATOM 394 CB TYR A 32 -0.161 8.992 5.414 1.00 0.00 C ATOM 395 CG TYR A 32 0.340 10.293 4.834 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.370 10.918 3.801 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.513 10.875 5.329 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.094 12.124 3.263 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.976 12.082 4.791 1.00 0.00 C ATOM 400 CZ TYR A 32 1.267 12.706 3.759 1.00 0.00 C ATOM 401 OH TYR A 32 1.718 13.882 3.235 1.00 0.00 O ATOM 0 H TYR A 32 -1.316 9.344 7.982 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.217 9.544 5.173 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.496 8.691 6.230 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.098 8.216 4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.275 10.469 3.420 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.061 10.393 6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.453 12.605 2.466 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.881 12.531 5.173 1.00 0.00 H new ATOM 0 HH TYR A 32 0.967 14.375 2.844 1.00 0.00 H new ATOM 411 N ASP A 33 -2.930 7.150 5.251 1.00 0.00 N ATOM 412 CA ASP A 33 -3.516 5.832 5.387 1.00 0.00 C ATOM 413 C ASP A 33 -2.759 4.839 4.517 1.00 0.00 C ATOM 414 O ASP A 33 -2.789 4.937 3.292 1.00 0.00 O ATOM 415 CB ASP A 33 -4.989 5.887 4.990 1.00 0.00 C ATOM 416 CG ASP A 33 -5.886 5.592 6.184 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.344 5.083 7.189 1.00 0.00 O ATOM 418 OD2 ASP A 33 -7.096 5.882 6.069 1.00 0.00 O ATOM 0 H ASP A 33 -3.169 7.628 4.383 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.445 5.503 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.225 6.872 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.183 5.165 4.197 1.00 0.00 H new ATOM 423 N VAL A 34 -2.080 3.882 5.152 1.00 0.00 N ATOM 424 CA VAL A 34 -1.320 2.878 4.435 1.00 0.00 C ATOM 425 C VAL A 34 -2.090 1.566 4.414 1.00 0.00 C ATOM 426 O VAL A 34 -2.844 1.272 5.339 1.00 0.00 O ATOM 427 CB VAL A 34 0.040 2.697 5.103 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.126 2.615 4.034 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.318 3.885 6.020 1.00 0.00 C ATOM 0 H VAL A 34 -2.046 3.788 6.167 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.164 3.201 3.406 1.00 0.00 H new ATOM 0 HB VAL A 34 0.037 1.778 5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.097 2.486 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.928 1.767 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.129 3.534 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.289 3.756 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.320 4.804 5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.457 3.944 6.784 1.00 0.00 H new ATOM 439 N GLY A 35 -1.900 0.775 3.356 1.00 0.00 N ATOM 440 CA GLY A 35 -2.578 -0.499 3.226 1.00 0.00 C ATOM 441 C GLY A 35 -2.002 -1.287 2.057 1.00 0.00 C ATOM 442 O GLY A 35 -1.191 -0.767 1.295 1.00 0.00 O ATOM 0 H GLY A 35 -1.279 1.003 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.471 -1.071 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.645 -0.337 3.074 1.00 0.00 H new ATOM 446 N GLN A 36 -2.425 -2.546 1.919 1.00 0.00 N ATOM 447 CA GLN A 36 -1.950 -3.397 0.847 1.00 0.00 C ATOM 448 C GLN A 36 -3.092 -3.712 -0.108 1.00 0.00 C ATOM 449 O GLN A 36 -4.021 -4.434 0.248 1.00 0.00 O ATOM 450 CB GLN A 36 -1.370 -4.679 1.438 1.00 0.00 C ATOM 451 CG GLN A 36 -1.211 -5.722 0.335 1.00 0.00 C ATOM 452 CD GLN A 36 -0.722 -7.046 0.906 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.377 -7.634 1.764 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.434 -7.513 0.429 1.00 0.00 N ATOM 0 H GLN A 36 -3.098 -2.991 2.543 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.168 -2.883 0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.405 -4.474 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.025 -5.060 2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.165 -5.870 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.505 -5.361 -0.413 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.941 -6.988 -0.283 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.810 -8.395 0.777 1.00 0.00 H new ATOM 463 N CYS A 37 -3.022 -3.168 -1.325 1.00 0.00 N ATOM 464 CA CYS A 37 -4.047 -3.393 -2.324 1.00 0.00 C ATOM 465 C CYS A 37 -3.503 -4.292 -3.426 1.00 0.00 C ATOM 466 O CYS A 37 -2.317 -4.238 -3.745 1.00 0.00 O ATOM 467 CB CYS A 37 -4.502 -2.053 -2.895 1.00 0.00 C ATOM 468 SG CYS A 37 -5.060 -0.872 -1.642 1.00 0.00 S ATOM 0 H CYS A 37 -2.259 -2.567 -1.635 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.904 -3.888 -1.867 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.679 -1.610 -3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.313 -2.227 -3.602 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.121 -0.255 -2.069 1.00 0.00 H new ATOM 473 N ALA A 38 -4.374 -5.120 -4.007 1.00 0.00 N ATOM 474 CA ALA A 38 -3.978 -6.026 -5.067 1.00 0.00 C ATOM 475 C ALA A 38 -4.874 -5.822 -6.281 1.00 0.00 C ATOM 476 O ALA A 38 -6.095 -5.784 -6.153 1.00 0.00 O ATOM 477 CB ALA A 38 -4.065 -7.464 -4.565 1.00 0.00 C ATOM 0 H ALA A 38 -5.361 -5.175 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.949 -5.820 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.767 -8.146 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.400 -7.592 -3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.089 -7.683 -4.264 1.00 0.00 H new ATOM 483 N TRP A 39 -4.264 -5.691 -7.461 1.00 0.00 N ATOM 484 CA TRP A 39 -5.012 -5.494 -8.686 1.00 0.00 C ATOM 485 C TRP A 39 -5.849 -6.729 -8.987 1.00 0.00 C ATOM 486 O TRP A 39 -5.311 -7.823 -9.144 1.00 0.00 O ATOM 487 CB TRP A 39 -4.045 -5.204 -9.830 1.00 0.00 C ATOM 488 CG TRP A 39 -4.468 -5.736 -11.162 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.745 -5.863 -11.582 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.637 -6.218 -12.262 1.00 0.00 C ATOM 491 NE1 TRP A 39 -5.762 -6.387 -12.857 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.487 -6.626 -13.326 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.253 -6.354 -12.469 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -3.992 -7.139 -14.528 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.746 -6.867 -13.672 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.610 -7.260 -14.701 1.00 0.00 C ATOM 0 H TRP A 39 -3.252 -5.719 -7.585 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.685 -4.644 -8.572 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.914 -4.125 -9.911 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.072 -5.625 -9.579 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.619 -5.595 -11.007 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.612 -6.575 -13.388 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.568 -6.058 -11.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.669 -7.439 -15.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.678 -6.960 -13.806 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.211 -7.655 -15.624 1.00 0.00 H new ATOM 507 N VAL A 40 -7.170 -6.551 -9.067 1.00 0.00 N ATOM 508 CA VAL A 40 -8.074 -7.648 -9.348 1.00 0.00 C ATOM 509 C VAL A 40 -8.477 -7.620 -10.815 1.00 0.00 C ATOM 510 O VAL A 40 -8.515 -8.659 -11.470 1.00 0.00 O ATOM 511 CB VAL A 40 -9.300 -7.539 -8.447 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.960 -8.067 -7.056 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.727 -6.077 -8.345 1.00 0.00 C ATOM 0 H VAL A 40 -7.630 -5.650 -8.939 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.576 -8.596 -9.147 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.114 -8.128 -8.869 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.837 -7.989 -6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.655 -9.111 -7.128 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.146 -7.479 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.603 -5.998 -7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.912 -5.489 -7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.971 -5.699 -9.338 1.00 0.00 H new ATOM 523 N ASP A 41 -8.779 -6.426 -11.330 1.00 0.00 N ATOM 524 CA ASP A 41 -9.178 -6.269 -12.714 1.00 0.00 C ATOM 525 C ASP A 41 -8.483 -5.057 -13.317 1.00 0.00 C ATOM 526 O ASP A 41 -7.923 -4.237 -12.592 1.00 0.00 O ATOM 527 CB ASP A 41 -10.694 -6.118 -12.792 1.00 0.00 C ATOM 528 CG ASP A 41 -11.313 -7.247 -13.604 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.657 -7.668 -14.581 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.430 -7.667 -13.233 1.00 0.00 O ATOM 0 H ASP A 41 -8.752 -5.555 -10.799 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.885 -7.151 -13.283 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.115 -6.115 -11.787 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.945 -5.159 -13.245 1.00 0.00 H new ATOM 535 N THR A 42 -8.519 -4.943 -14.646 1.00 0.00 N ATOM 536 CA THR A 42 -7.893 -3.831 -15.333 1.00 0.00 C ATOM 537 C THR A 42 -8.349 -2.518 -14.715 1.00 0.00 C ATOM 538 O THR A 42 -9.513 -2.141 -14.838 1.00 0.00 O ATOM 539 CB THR A 42 -8.250 -3.884 -16.815 1.00 0.00 C ATOM 540 OG1 THR A 42 -7.505 -2.911 -17.513 1.00 0.00 O ATOM 541 CG2 THR A 42 -9.740 -3.605 -16.990 1.00 0.00 C ATOM 0 H THR A 42 -8.978 -5.613 -15.262 1.00 0.00 H new ATOM 0 HA THR A 42 -6.810 -3.900 -15.231 1.00 0.00 H new ATOM 0 HB THR A 42 -8.017 -4.873 -17.209 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.733 -2.946 -18.466 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.995 -3.643 -18.049 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.317 -4.356 -16.451 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.974 -2.616 -16.596 1.00 0.00 H new ATOM 549 N GLY A 43 -7.428 -1.818 -14.049 1.00 0.00 N ATOM 550 CA GLY A 43 -7.744 -0.552 -13.418 1.00 0.00 C ATOM 551 C GLY A 43 -8.625 -0.776 -12.197 1.00 0.00 C ATOM 552 O GLY A 43 -9.132 0.178 -11.610 1.00 0.00 O ATOM 0 H GLY A 43 -6.458 -2.114 -13.937 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.825 -0.045 -13.124 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.254 0.099 -14.128 1.00 0.00 H new ATOM 556 N VAL A 44 -8.805 -2.042 -11.814 1.00 0.00 N ATOM 557 CA VAL A 44 -9.622 -2.386 -10.668 1.00 0.00 C ATOM 558 C VAL A 44 -8.791 -3.167 -9.660 1.00 0.00 C ATOM 559 O VAL A 44 -8.436 -4.318 -9.904 1.00 0.00 O ATOM 560 CB VAL A 44 -10.824 -3.206 -11.129 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.793 -3.388 -9.964 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.530 -2.476 -12.268 1.00 0.00 C ATOM 0 H VAL A 44 -8.390 -2.843 -12.289 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.982 -1.477 -10.186 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.486 -4.182 -11.476 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.652 -3.974 -10.293 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.289 -3.909 -9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.131 -2.412 -9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.389 -3.061 -12.598 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.868 -1.500 -11.920 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.838 -2.345 -13.100 1.00 0.00 H new ATOM 572 N LEU A 45 -8.482 -2.538 -8.523 1.00 0.00 N ATOM 573 CA LEU A 45 -7.697 -3.175 -7.485 1.00 0.00 C ATOM 574 C LEU A 45 -8.464 -3.155 -6.171 1.00 0.00 C ATOM 575 O LEU A 45 -9.130 -2.172 -5.853 1.00 0.00 O ATOM 576 CB LEU A 45 -6.361 -2.450 -7.342 1.00 0.00 C ATOM 577 CG LEU A 45 -6.485 -1.362 -6.280 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.098 -1.004 -5.753 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.132 -0.123 -6.894 1.00 0.00 C ATOM 0 H LEU A 45 -8.769 -1.584 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.506 -4.214 -7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.579 -3.157 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.069 -2.011 -8.296 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.103 -1.725 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.187 -0.227 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.636 -1.888 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.479 -0.641 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.221 0.655 -6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.515 0.240 -7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.123 -0.378 -7.270 1.00 0.00 H new ATOM 591 N ALA A 46 -8.370 -4.246 -5.407 1.00 0.00 N ATOM 592 CA ALA A 46 -9.055 -4.350 -4.135 1.00 0.00 C ATOM 593 C ALA A 46 -8.080 -4.070 -3.000 1.00 0.00 C ATOM 594 O ALA A 46 -6.874 -4.251 -3.157 1.00 0.00 O ATOM 595 CB ALA A 46 -9.661 -5.743 -3.996 1.00 0.00 C ATOM 0 H ALA A 46 -7.821 -5.069 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.857 -3.614 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.177 -5.822 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.371 -5.913 -4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.869 -6.491 -4.044 1.00 0.00 H new ATOM 601 N CYS A 47 -8.604 -3.626 -1.855 1.00 0.00 N ATOM 602 CA CYS A 47 -7.780 -3.324 -0.703 1.00 0.00 C ATOM 603 C CYS A 47 -8.042 -4.342 0.398 1.00 0.00 C ATOM 604 O CYS A 47 -9.147 -4.868 0.510 1.00 0.00 O ATOM 605 CB CYS A 47 -8.087 -1.910 -0.216 1.00 0.00 C ATOM 606 SG CYS A 47 -7.399 -0.606 -1.266 1.00 0.00 S ATOM 0 H CYS A 47 -9.602 -3.470 -1.710 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.727 -3.379 -0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.168 -1.783 -0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.697 -1.792 0.795 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.176 -0.357 -0.903 1.00 0.00 H new ATOM 611 N ASN A 48 -7.021 -4.619 1.213 1.00 0.00 N ATOM 612 CA ASN A 48 -7.148 -5.571 2.298 1.00 0.00 C ATOM 613 C ASN A 48 -6.940 -4.868 3.632 1.00 0.00 C ATOM 614 O ASN A 48 -5.854 -4.364 3.909 1.00 0.00 O ATOM 615 CB ASN A 48 -6.127 -6.690 2.113 1.00 0.00 C ATOM 616 CG ASN A 48 -4.819 -6.354 2.815 1.00 0.00 C ATOM 617 OD1 ASN A 48 -4.166 -5.369 2.475 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.438 -7.173 3.797 1.00 0.00 N ATOM 0 H ASN A 48 -6.098 -4.191 1.134 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.149 -6.003 2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.528 -7.623 2.510 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.944 -6.848 1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.570 -6.994 4.302 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.015 -7.978 4.042 1.00 0.00 H new ATOM 625 N PRO A 49 -7.987 -4.835 4.459 1.00 0.00 N ATOM 626 CA PRO A 49 -7.975 -4.214 5.766 1.00 0.00 C ATOM 627 C PRO A 49 -7.153 -5.061 6.727 1.00 0.00 C ATOM 628 O PRO A 49 -7.028 -4.726 7.902 1.00 0.00 O ATOM 629 CB PRO A 49 -9.441 -4.169 6.192 1.00 0.00 C ATOM 630 CG PRO A 49 -10.034 -5.391 5.492 1.00 0.00 C ATOM 631 CD PRO A 49 -9.279 -5.416 4.165 1.00 0.00 C ATOM 0 HA PRO A 49 -7.530 -3.219 5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.550 -4.231 7.275 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.926 -3.246 5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.874 -6.304 6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.109 -5.291 5.344 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.178 -6.434 3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.805 -4.843 3.401 1.00 0.00 H new ATOM 639 N ALA A 50 -6.593 -6.164 6.223 1.00 0.00 N ATOM 640 CA ALA A 50 -5.790 -7.054 7.037 1.00 0.00 C ATOM 641 C ALA A 50 -4.378 -6.501 7.165 1.00 0.00 C ATOM 642 O ALA A 50 -3.609 -6.948 8.014 1.00 0.00 O ATOM 643 CB ALA A 50 -5.772 -8.442 6.404 1.00 0.00 C ATOM 0 H ALA A 50 -6.687 -6.455 5.250 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.221 -7.130 8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.168 -9.113 7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.790 -8.826 6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.345 -8.380 5.403 1.00 0.00 H new ATOM 649 N ASP A 51 -4.037 -5.526 6.320 1.00 0.00 N ATOM 650 CA ASP A 51 -2.721 -4.919 6.343 1.00 0.00 C ATOM 651 C ASP A 51 -2.852 -3.404 6.303 1.00 0.00 C ATOM 652 O ASP A 51 -1.973 -2.717 5.788 1.00 0.00 O ATOM 653 CB ASP A 51 -1.909 -5.424 5.153 1.00 0.00 C ATOM 654 CG ASP A 51 -1.496 -6.875 5.353 1.00 0.00 C ATOM 655 OD1 ASP A 51 -1.490 -7.307 6.526 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.193 -7.526 4.330 1.00 0.00 O ATOM 0 H ASP A 51 -4.663 -5.144 5.611 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.204 -5.195 7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.498 -5.332 4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.022 -4.804 5.024 1.00 0.00 H new ATOM 661 N PHE A 52 -3.953 -2.882 6.848 1.00 0.00 N ATOM 662 CA PHE A 52 -4.190 -1.453 6.871 1.00 0.00 C ATOM 663 C PHE A 52 -3.491 -0.833 8.072 1.00 0.00 C ATOM 664 O PHE A 52 -3.902 -1.046 9.211 1.00 0.00 O ATOM 665 CB PHE A 52 -5.692 -1.188 6.922 1.00 0.00 C ATOM 666 CG PHE A 52 -6.136 -0.060 6.022 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.519 1.193 6.113 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.164 -0.269 5.094 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.930 2.238 5.277 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.575 0.776 4.258 1.00 0.00 C ATOM 671 CZ PHE A 52 -6.958 2.030 4.349 1.00 0.00 C ATOM 0 H PHE A 52 -4.692 -3.437 7.279 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.785 -0.999 5.967 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.223 -2.097 6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.977 -0.957 7.948 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.726 1.354 6.828 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.640 -1.236 5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.454 3.205 5.348 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.368 0.615 3.543 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.275 2.836 3.704 1.00 0.00 H new ATOM 681 N SER A 53 -2.431 -0.062 7.816 1.00 0.00 N ATOM 682 CA SER A 53 -1.684 0.585 8.876 1.00 0.00 C ATOM 683 C SER A 53 -2.003 2.073 8.899 1.00 0.00 C ATOM 684 O SER A 53 -2.708 2.573 8.025 1.00 0.00 O ATOM 685 CB SER A 53 -0.191 0.355 8.658 1.00 0.00 C ATOM 686 OG SER A 53 0.539 1.034 9.655 1.00 0.00 O ATOM 0 H SER A 53 -2.077 0.124 6.878 1.00 0.00 H new ATOM 0 HA SER A 53 -1.968 0.159 9.838 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.032 -0.711 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.103 0.712 7.671 1.00 0.00 H new ATOM 0 HG SER A 53 1.498 0.885 9.517 1.00 0.00 H new ATOM 692 N SER A 54 -1.480 2.781 9.903 1.00 0.00 N ATOM 693 CA SER A 54 -1.709 4.206 10.032 1.00 0.00 C ATOM 694 C SER A 54 -0.479 4.876 10.629 1.00 0.00 C ATOM 695 O SER A 54 0.249 4.262 11.406 1.00 0.00 O ATOM 696 CB SER A 54 -2.934 4.446 10.910 1.00 0.00 C ATOM 697 OG SER A 54 -2.698 3.923 12.198 1.00 0.00 O ATOM 0 H SER A 54 -0.894 2.381 10.636 1.00 0.00 H new ATOM 0 HA SER A 54 -1.892 4.638 9.048 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.147 5.513 10.972 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.810 3.972 10.468 1.00 0.00 H new ATOM 0 HG SER A 54 -3.484 4.078 12.763 1.00 0.00 H new ATOM 703 N VAL A 55 -0.249 6.139 10.263 1.00 0.00 N ATOM 704 CA VAL A 55 0.888 6.885 10.762 1.00 0.00 C ATOM 705 C VAL A 55 0.708 8.365 10.455 1.00 0.00 C ATOM 706 O VAL A 55 -0.004 8.724 9.520 1.00 0.00 O ATOM 707 CB VAL A 55 2.166 6.351 10.123 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.032 6.395 8.603 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.349 7.213 10.554 1.00 0.00 C ATOM 0 H VAL A 55 -0.844 6.661 9.619 1.00 0.00 H new ATOM 0 HA VAL A 55 0.961 6.765 11.843 1.00 0.00 H new ATOM 0 HB VAL A 55 2.330 5.322 10.444 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.945 6.013 8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.187 5.779 8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.868 7.424 8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.262 6.832 10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.185 8.242 10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.445 7.182 11.639 1.00 0.00 H new ATOM 719 N THR A 56 1.358 9.224 11.243 1.00 0.00 N ATOM 720 CA THR A 56 1.264 10.657 11.047 1.00 0.00 C ATOM 721 C THR A 56 2.658 11.255 10.920 1.00 0.00 C ATOM 722 O THR A 56 3.543 10.949 11.717 1.00 0.00 O ATOM 723 CB THR A 56 0.513 11.282 12.219 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.788 10.742 12.285 1.00 0.00 O ATOM 725 CG2 THR A 56 0.427 12.792 12.021 1.00 0.00 C ATOM 0 H THR A 56 1.954 8.943 12.022 1.00 0.00 H new ATOM 0 HA THR A 56 0.716 10.866 10.128 1.00 0.00 H new ATOM 0 HB THR A 56 1.044 11.067 13.147 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.270 11.142 13.039 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.109 13.239 12.858 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.432 13.210 11.970 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.103 13.008 11.094 1.00 0.00 H new ATOM 733 N ALA A 57 2.852 12.110 9.914 1.00 0.00 N ATOM 734 CA ALA A 57 4.134 12.745 9.686 1.00 0.00 C ATOM 735 C ALA A 57 4.387 13.794 10.760 1.00 0.00 C ATOM 736 O ALA A 57 3.479 14.532 11.135 1.00 0.00 O ATOM 737 CB ALA A 57 4.147 13.379 8.298 1.00 0.00 C ATOM 0 H ALA A 57 2.128 12.374 9.246 1.00 0.00 H new ATOM 0 HA ALA A 57 4.928 12.000 9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.111 13.857 8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.984 12.608 7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.355 14.125 8.231 1.00 0.00 H new ATOM 743 N ASP A 58 5.626 13.858 11.254 1.00 0.00 N ATOM 744 CA ASP A 58 5.990 14.813 12.281 1.00 0.00 C ATOM 745 C ASP A 58 6.173 16.191 11.661 1.00 0.00 C ATOM 746 O ASP A 58 5.905 16.381 10.477 1.00 0.00 O ATOM 747 CB ASP A 58 7.273 14.354 12.968 1.00 0.00 C ATOM 748 CG ASP A 58 8.393 14.161 11.956 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.236 14.681 10.830 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.385 13.496 12.327 1.00 0.00 O ATOM 0 H ASP A 58 6.390 13.254 10.952 1.00 0.00 H new ATOM 0 HA ASP A 58 5.196 14.874 13.026 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.574 15.090 13.713 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.092 13.419 13.498 1.00 0.00 H new ATOM 755 N ALA A 59 6.630 17.154 12.465 1.00 0.00 N ATOM 756 CA ALA A 59 6.845 18.507 11.993 1.00 0.00 C ATOM 757 C ALA A 59 7.905 18.509 10.901 1.00 0.00 C ATOM 758 O ALA A 59 8.019 19.473 10.146 1.00 0.00 O ATOM 759 CB ALA A 59 7.270 19.391 13.162 1.00 0.00 C ATOM 0 H ALA A 59 6.857 17.012 13.449 1.00 0.00 H new ATOM 0 HA ALA A 59 5.920 18.902 11.574 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.432 20.409 12.808 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.488 19.391 13.921 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.194 19.005 13.593 1.00 0.00 H new ATOM 765 N ASN A 60 8.682 17.427 10.817 1.00 0.00 N ATOM 766 CA ASN A 60 9.726 17.312 9.819 1.00 0.00 C ATOM 767 C ASN A 60 9.142 16.783 8.516 1.00 0.00 C ATOM 768 O ASN A 60 9.876 16.513 7.568 1.00 0.00 O ATOM 769 CB ASN A 60 10.822 16.385 10.336 1.00 0.00 C ATOM 770 CG ASN A 60 12.133 17.137 10.508 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.283 18.249 10.006 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.084 16.529 11.221 1.00 0.00 N ATOM 0 H ASN A 60 8.600 16.619 11.435 1.00 0.00 H new ATOM 0 HA ASN A 60 10.159 18.294 9.626 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.518 15.953 11.289 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.962 15.557 9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.983 16.988 11.369 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.912 15.605 11.618 1.00 0.00 H new ATOM 779 N GLY A 61 7.816 16.636 8.470 1.00 0.00 N ATOM 780 CA GLY A 61 7.146 16.142 7.284 1.00 0.00 C ATOM 781 C GLY A 61 7.662 14.755 6.927 1.00 0.00 C ATOM 782 O GLY A 61 7.722 14.396 5.753 1.00 0.00 O ATOM 0 H GLY A 61 7.192 16.855 9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.070 16.105 7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.314 16.826 6.452 1.00 0.00 H new ATOM 786 N SER A 62 8.034 13.975 7.944 1.00 0.00 N ATOM 787 CA SER A 62 8.541 12.634 7.732 1.00 0.00 C ATOM 788 C SER A 62 7.811 11.656 8.642 1.00 0.00 C ATOM 789 O SER A 62 7.586 11.945 9.815 1.00 0.00 O ATOM 790 CB SER A 62 10.042 12.610 8.006 1.00 0.00 C ATOM 791 OG SER A 62 10.569 11.360 7.622 1.00 0.00 O ATOM 0 H SER A 62 7.990 14.258 8.923 1.00 0.00 H new ATOM 0 HA SER A 62 8.368 12.335 6.698 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.536 13.410 7.455 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.232 12.787 9.064 1.00 0.00 H new ATOM 0 HG SER A 62 10.141 11.066 6.791 1.00 0.00 H new ATOM 797 N ALA A 63 7.442 10.495 8.097 1.00 0.00 N ATOM 798 CA ALA A 63 6.740 9.482 8.859 1.00 0.00 C ATOM 799 C ALA A 63 7.448 8.143 8.711 1.00 0.00 C ATOM 800 O ALA A 63 8.314 7.988 7.853 1.00 0.00 O ATOM 801 CB ALA A 63 5.297 9.387 8.371 1.00 0.00 C ATOM 0 H ALA A 63 7.623 10.240 7.126 1.00 0.00 H new ATOM 0 HA ALA A 63 6.735 9.754 9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.769 8.625 8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.803 10.349 8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.287 9.119 7.315 1.00 0.00 H new ATOM 807 N SER A 64 7.078 7.173 9.551 1.00 0.00 N ATOM 808 CA SER A 64 7.679 5.855 9.508 1.00 0.00 C ATOM 809 C SER A 64 6.676 4.815 9.987 1.00 0.00 C ATOM 810 O SER A 64 6.095 4.957 11.061 1.00 0.00 O ATOM 811 CB SER A 64 8.932 5.839 10.379 1.00 0.00 C ATOM 812 OG SER A 64 8.559 5.819 11.738 1.00 0.00 O ATOM 0 H SER A 64 6.362 7.285 10.268 1.00 0.00 H new ATOM 0 HA SER A 64 7.962 5.613 8.483 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.540 4.965 10.145 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.543 6.717 10.171 1.00 0.00 H new ATOM 0 HG SER A 64 7.586 5.725 11.809 1.00 0.00 H new ATOM 818 N THR A 65 6.474 3.765 9.187 1.00 0.00 N ATOM 819 CA THR A 65 5.546 2.709 9.537 1.00 0.00 C ATOM 820 C THR A 65 6.029 1.383 8.967 1.00 0.00 C ATOM 821 O THR A 65 6.997 1.345 8.210 1.00 0.00 O ATOM 822 CB THR A 65 4.159 3.055 9.001 1.00 0.00 C ATOM 823 OG1 THR A 65 3.259 3.185 10.078 1.00 0.00 O ATOM 824 CG2 THR A 65 3.682 1.944 8.071 1.00 0.00 C ATOM 0 H THR A 65 6.946 3.632 8.293 1.00 0.00 H new ATOM 0 HA THR A 65 5.491 2.614 10.621 1.00 0.00 H new ATOM 0 HB THR A 65 4.206 3.995 8.450 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.344 3.250 9.734 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.692 2.190 7.688 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.378 1.842 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.635 1.004 8.621 1.00 0.00 H new ATOM 832 N SER A 66 5.350 0.293 9.333 1.00 0.00 N ATOM 833 CA SER A 66 5.712 -1.026 8.856 1.00 0.00 C ATOM 834 C SER A 66 4.501 -1.696 8.222 1.00 0.00 C ATOM 835 O SER A 66 3.467 -1.854 8.867 1.00 0.00 O ATOM 836 CB SER A 66 6.243 -1.859 10.019 1.00 0.00 C ATOM 837 OG SER A 66 6.529 -1.012 11.110 1.00 0.00 O ATOM 0 H SER A 66 4.546 0.308 9.960 1.00 0.00 H new ATOM 0 HA SER A 66 6.493 -0.941 8.100 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.507 -2.609 10.310 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.142 -2.396 9.716 1.00 0.00 H new ATOM 0 HG SER A 66 6.869 -1.546 11.858 1.00 0.00 H new ATOM 843 N LEU A 67 4.632 -2.092 6.953 1.00 0.00 N ATOM 844 CA LEU A 67 3.552 -2.743 6.240 1.00 0.00 C ATOM 845 C LEU A 67 3.782 -4.248 6.214 1.00 0.00 C ATOM 846 O LEU A 67 4.919 -4.702 6.104 1.00 0.00 O ATOM 847 CB LEU A 67 3.471 -2.185 4.822 1.00 0.00 C ATOM 848 CG LEU A 67 2.008 -2.088 4.397 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.523 -3.456 3.926 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.164 -1.628 5.582 1.00 0.00 C ATOM 0 H LEU A 67 5.483 -1.968 6.404 1.00 0.00 H new ATOM 0 HA LEU A 67 2.608 -2.549 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.939 -1.202 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.019 -2.829 4.134 1.00 0.00 H new ATOM 0 HG LEU A 67 1.913 -1.370 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.478 -3.387 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.126 -3.784 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.618 -4.175 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.119 -1.558 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.259 -2.346 6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.510 -0.651 5.918 1.00 0.00 H new ATOM 862 N THR A 68 2.699 -5.021 6.316 1.00 0.00 N ATOM 863 CA THR A 68 2.793 -6.467 6.303 1.00 0.00 C ATOM 864 C THR A 68 2.434 -6.998 4.922 1.00 0.00 C ATOM 865 O THR A 68 1.558 -6.454 4.254 1.00 0.00 O ATOM 866 CB THR A 68 1.860 -7.046 7.363 1.00 0.00 C ATOM 867 OG1 THR A 68 1.349 -8.281 6.915 1.00 0.00 O ATOM 868 CG2 THR A 68 0.707 -6.078 7.610 1.00 0.00 C ATOM 0 H THR A 68 1.749 -4.661 6.408 1.00 0.00 H new ATOM 0 HA THR A 68 3.815 -6.769 6.531 1.00 0.00 H new ATOM 0 HB THR A 68 2.413 -7.196 8.290 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.851 -9.013 7.330 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.041 -6.491 8.367 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.102 -5.123 7.957 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.154 -5.927 6.683 1.00 0.00 H new ATOM 876 N VAL A 69 3.116 -8.064 4.496 1.00 0.00 N ATOM 877 CA VAL A 69 2.868 -8.662 3.200 1.00 0.00 C ATOM 878 C VAL A 69 2.058 -9.940 3.370 1.00 0.00 C ATOM 879 O VAL A 69 2.414 -10.801 4.171 1.00 0.00 O ATOM 880 CB VAL A 69 4.199 -8.953 2.512 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.060 -10.199 1.642 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.589 -7.764 1.639 1.00 0.00 C ATOM 0 H VAL A 69 3.846 -8.526 5.039 1.00 0.00 H new ATOM 0 HA VAL A 69 2.297 -7.972 2.579 1.00 0.00 H new ATOM 0 HB VAL A 69 4.969 -9.120 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.010 -10.407 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.780 -11.048 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.290 -10.032 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.539 -7.970 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.819 -7.598 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.688 -6.874 2.260 1.00 0.00 H new ATOM 892 N ARG A 70 0.965 -10.060 2.613 1.00 0.00 N ATOM 893 CA ARG A 70 0.111 -11.229 2.683 1.00 0.00 C ATOM 894 C ARG A 70 0.064 -11.916 1.326 1.00 0.00 C ATOM 895 O ARG A 70 0.079 -11.252 0.292 1.00 0.00 O ATOM 896 CB ARG A 70 -1.288 -10.809 3.126 1.00 0.00 C ATOM 897 CG ARG A 70 -1.397 -10.924 4.643 1.00 0.00 C ATOM 898 CD ARG A 70 -0.097 -10.447 5.285 1.00 0.00 C ATOM 899 NE ARG A 70 -0.299 -10.109 6.694 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.296 -11.029 7.668 1.00 0.00 C ATOM 901 NH1 ARG A 70 -0.101 -12.320 7.370 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.488 -10.657 8.941 1.00 0.00 N ATOM 0 H ARG A 70 0.657 -9.354 1.944 1.00 0.00 H new ATOM 0 HA ARG A 70 0.512 -11.935 3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.488 -9.784 2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.037 -11.440 2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.234 -10.326 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.597 -11.957 4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.661 -11.225 5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.279 -9.575 4.749 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.448 -9.132 6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.045 -12.603 6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.099 -13.020 8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.636 -9.674 9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.486 -11.357 9.683 1.00 0.00 H new ATOM 916 N ARG A 71 0.006 -13.249 1.332 1.00 0.00 N ATOM 917 CA ARG A 71 -0.042 -14.018 0.104 1.00 0.00 C ATOM 918 C ARG A 71 -1.398 -13.838 -0.564 1.00 0.00 C ATOM 919 O ARG A 71 -1.498 -13.867 -1.788 1.00 0.00 O ATOM 920 CB ARG A 71 0.215 -15.489 0.416 1.00 0.00 C ATOM 921 CG ARG A 71 -0.690 -15.933 1.562 1.00 0.00 C ATOM 922 CD ARG A 71 -1.534 -17.123 1.113 1.00 0.00 C ATOM 923 NE ARG A 71 -1.013 -18.373 1.665 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.676 -19.535 1.582 1.00 0.00 C ATOM 925 NH1 ARG A 71 -2.869 -19.584 0.973 1.00 0.00 N ATOM 926 NH2 ARG A 71 -1.148 -20.648 2.109 1.00 0.00 N ATOM 0 H ARG A 71 -0.009 -13.813 2.182 1.00 0.00 H new ATOM 0 HA ARG A 71 0.729 -13.665 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.025 -16.098 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.261 -15.637 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.089 -16.207 2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.336 -15.110 1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.566 -16.982 1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.542 -17.178 0.024 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.107 -18.360 2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.272 -18.737 0.573 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.373 -20.468 0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.241 -20.611 2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.653 -21.532 2.045 1.00 0.00 H new ATOM 940 N SER A 72 -2.444 -13.652 0.245 1.00 0.00 N ATOM 941 CA SER A 72 -3.785 -13.468 -0.272 1.00 0.00 C ATOM 942 C SER A 72 -4.646 -12.761 0.766 1.00 0.00 C ATOM 943 O SER A 72 -4.329 -12.777 1.954 1.00 0.00 O ATOM 944 CB SER A 72 -4.381 -14.825 -0.634 1.00 0.00 C ATOM 945 OG SER A 72 -5.652 -14.639 -1.216 1.00 0.00 O ATOM 0 H SER A 72 -2.378 -13.626 1.263 1.00 0.00 H new ATOM 0 HA SER A 72 -3.751 -12.850 -1.169 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.724 -15.349 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.465 -15.447 0.257 1.00 0.00 H new ATOM 0 HG SER A 72 -5.617 -13.889 -1.846 1.00 0.00 H new ATOM 951 N PHE A 73 -5.738 -12.140 0.315 1.00 0.00 N ATOM 952 CA PHE A 73 -6.637 -11.434 1.206 1.00 0.00 C ATOM 953 C PHE A 73 -7.824 -10.894 0.421 1.00 0.00 C ATOM 954 O PHE A 73 -7.779 -10.821 -0.805 1.00 0.00 O ATOM 955 CB PHE A 73 -5.882 -10.300 1.894 1.00 0.00 C ATOM 956 CG PHE A 73 -4.950 -9.550 0.972 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.467 -8.835 -0.115 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.570 -9.568 1.206 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.603 -8.138 -0.968 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.706 -8.871 0.353 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.223 -8.156 -0.734 1.00 0.00 C ATOM 0 H PHE A 73 -6.014 -12.117 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.012 -12.118 1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.602 -9.600 2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.307 -10.709 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.532 -8.821 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.172 -10.120 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.001 -7.586 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.641 -8.885 0.533 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.557 -7.618 -1.392 1.00 0.00 H new ATOM 971 N GLU A 74 -8.890 -10.515 1.131 1.00 0.00 N ATOM 972 CA GLU A 74 -10.079 -9.984 0.496 1.00 0.00 C ATOM 973 C GLU A 74 -9.760 -8.657 -0.177 1.00 0.00 C ATOM 974 O GLU A 74 -9.326 -7.713 0.479 1.00 0.00 O ATOM 975 CB GLU A 74 -11.177 -9.810 1.542 1.00 0.00 C ATOM 976 CG GLU A 74 -10.663 -8.932 2.679 1.00 0.00 C ATOM 977 CD GLU A 74 -10.680 -9.688 3.999 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.793 -9.851 4.545 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.581 -10.088 4.438 1.00 0.00 O ATOM 0 H GLU A 74 -8.945 -10.570 2.148 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.428 -10.679 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.058 -9.356 1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.483 -10.782 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.648 -8.601 2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.280 -8.037 2.760 1.00 0.00 H new ATOM 986 N GLY A 75 -9.977 -8.585 -1.493 1.00 0.00 N ATOM 987 CA GLY A 75 -9.711 -7.374 -2.243 1.00 0.00 C ATOM 988 C GLY A 75 -10.806 -6.347 -1.991 1.00 0.00 C ATOM 989 O GLY A 75 -11.831 -6.350 -2.669 1.00 0.00 O ATOM 0 H GLY A 75 -10.337 -9.357 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.744 -6.963 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.654 -7.602 -3.307 1.00 0.00 H new ATOM 993 N PHE A 76 -10.587 -5.466 -1.012 1.00 0.00 N ATOM 994 CA PHE A 76 -11.554 -4.441 -0.678 1.00 0.00 C ATOM 995 C PHE A 76 -11.385 -3.248 -1.608 1.00 0.00 C ATOM 996 O PHE A 76 -10.496 -2.423 -1.408 1.00 0.00 O ATOM 997 CB PHE A 76 -11.368 -4.023 0.778 1.00 0.00 C ATOM 998 CG PHE A 76 -12.583 -4.276 1.638 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.749 -3.527 1.439 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.542 -5.256 2.636 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.875 -3.760 2.238 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.668 -5.489 3.435 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.835 -4.741 3.235 1.00 0.00 C ATOM 0 H PHE A 76 -9.743 -5.450 -0.440 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.563 -4.833 -0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.518 -4.562 1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.122 -2.962 0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.780 -2.770 0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.642 -5.833 2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.775 -3.182 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.637 -6.245 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.704 -4.921 3.850 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.241 -3.158 -2.629 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.183 -2.069 -3.583 1.00 0.00 C ATOM 1015 C LEU A 77 -12.242 -0.736 -2.850 1.00 0.00 C ATOM 1016 O LEU A 77 -13.026 -0.573 -1.918 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.340 -2.196 -4.570 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.758 -0.807 -5.043 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.633 -0.189 -5.868 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.015 -0.919 -5.901 1.00 0.00 C ATOM 0 H LEU A 77 -12.983 -3.834 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.245 -2.115 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.041 -2.807 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.183 -2.700 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.963 -0.176 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.932 0.803 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.735 -0.108 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.427 -0.820 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.314 0.073 -6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.810 -1.551 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.819 -1.359 -5.312 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.411 0.218 -3.275 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.376 1.529 -2.657 1.00 0.00 C ATOM 1034 C PHE A 78 -12.793 2.053 -2.477 1.00 0.00 C ATOM 1035 O PHE A 78 -13.112 2.646 -1.449 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.553 2.477 -3.526 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.123 2.628 -3.066 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.251 1.534 -3.119 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -8.669 3.863 -2.588 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -6.925 1.675 -2.694 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.342 4.004 -2.164 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.470 2.910 -2.217 1.00 0.00 C ATOM 0 H PHE A 78 -10.755 0.099 -4.047 1.00 0.00 H new ATOM 0 HA PHE A 78 -10.909 1.461 -1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.559 2.113 -4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.030 3.457 -3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.602 0.581 -3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.342 4.707 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.253 0.831 -2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.991 4.957 -1.796 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.446 3.019 -1.890 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.645 1.834 -3.482 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.020 2.286 -3.430 1.00 0.00 C ATOM 1054 C ASP A 79 -15.706 1.708 -2.200 1.00 0.00 C ATOM 1055 O ASP A 79 -16.753 2.198 -1.784 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.744 1.858 -4.704 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.845 2.846 -5.062 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.678 4.034 -4.711 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.832 2.395 -5.681 1.00 0.00 O ATOM 0 H ASP A 79 -13.396 1.343 -4.341 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.047 3.373 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.031 1.788 -5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.172 0.865 -4.568 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.113 0.663 -1.618 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.673 0.029 -0.441 1.00 0.00 C ATOM 1066 C GLY A 80 -16.494 -1.189 -0.839 1.00 0.00 C ATOM 1067 O GLY A 80 -17.434 -1.563 -0.140 1.00 0.00 O ATOM 0 H GLY A 80 -14.244 0.244 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.872 -0.269 0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.300 0.738 0.099 1.00 0.00 H new ATOM 1071 N THR A 81 -16.138 -1.810 -1.966 1.00 0.00 N ATOM 1072 CA THR A 81 -16.844 -2.980 -2.446 1.00 0.00 C ATOM 1073 C THR A 81 -15.959 -4.211 -2.312 1.00 0.00 C ATOM 1074 O THR A 81 -14.759 -4.149 -2.574 1.00 0.00 O ATOM 1075 CB THR A 81 -17.253 -2.765 -3.900 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.511 -2.129 -3.945 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.339 -4.113 -4.610 1.00 0.00 C ATOM 0 H THR A 81 -15.362 -1.514 -2.558 1.00 0.00 H new ATOM 0 HA THR A 81 -17.742 -3.137 -1.848 1.00 0.00 H new ATOM 0 HB THR A 81 -16.511 -2.140 -4.397 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.774 -1.989 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.631 -3.959 -5.649 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.367 -4.605 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.080 -4.739 -4.113 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.555 -5.334 -1.903 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.821 -6.572 -1.735 1.00 0.00 C ATOM 1087 C ARG A 82 -15.586 -7.220 -3.092 1.00 0.00 C ATOM 1088 O ARG A 82 -16.425 -7.978 -3.574 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.605 -7.506 -0.819 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.130 -7.324 0.620 1.00 0.00 C ATOM 1091 CD ARG A 82 -15.708 -8.674 1.192 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.789 -9.275 1.974 1.00 0.00 N ATOM 1093 CZ ARG A 82 -16.697 -10.493 2.523 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -15.579 -11.216 2.368 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -17.722 -10.990 3.228 1.00 0.00 N ATOM 0 H ARG A 82 -17.549 -5.402 -1.683 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.852 -6.366 -1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.671 -7.293 -0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.465 -8.541 -1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.293 -6.626 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.928 -6.894 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.426 -9.344 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.827 -8.547 1.821 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.649 -8.743 2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.798 -10.839 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.509 -12.144 2.786 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.573 -10.441 3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.651 -11.918 3.646 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.441 -6.920 -3.710 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.106 -7.478 -5.005 1.00 0.00 C ATOM 1111 C TRP A 83 -13.993 -8.992 -4.903 1.00 0.00 C ATOM 1112 O TRP A 83 -14.697 -9.718 -5.602 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.795 -6.870 -5.496 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.553 -6.999 -6.965 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.751 -6.022 -7.878 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.071 -8.154 -7.717 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.427 -6.491 -9.133 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.001 -7.803 -9.092 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -11.686 -9.464 -7.377 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.573 -8.699 -10.076 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -11.256 -10.370 -8.356 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -11.198 -9.993 -9.703 1.00 0.00 C ATOM 0 H TRP A 83 -13.735 -6.292 -3.327 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.893 -7.241 -5.721 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.780 -5.813 -5.232 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.970 -7.343 -4.964 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -13.108 -5.027 -7.658 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.494 -5.937 -9.987 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.722 -9.777 -6.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.533 -8.395 -11.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -10.966 -11.370 -8.068 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -10.865 -10.698 -10.450 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.104 -9.470 -4.029 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.907 -10.893 -3.844 1.00 0.00 C ATOM 1135 C GLY A 84 -11.477 -11.176 -3.405 1.00 0.00 C ATOM 1136 O GLY A 84 -10.613 -10.307 -3.499 1.00 0.00 O ATOM 0 H GLY A 84 -12.512 -8.883 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.605 -11.269 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.120 -11.420 -4.774 1.00 0.00 H new ATOM 1140 N THR A 85 -11.228 -12.396 -2.923 1.00 0.00 N ATOM 1141 CA THR A 85 -9.906 -12.782 -2.474 1.00 0.00 C ATOM 1142 C THR A 85 -8.913 -12.664 -3.622 1.00 0.00 C ATOM 1143 O THR A 85 -9.149 -13.190 -4.707 1.00 0.00 O ATOM 1144 CB THR A 85 -9.948 -14.211 -1.941 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.222 -14.472 -1.396 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.886 -14.383 -0.859 1.00 0.00 C ATOM 0 H THR A 85 -11.932 -13.129 -2.837 1.00 0.00 H new ATOM 0 HA THR A 85 -9.583 -12.117 -1.673 1.00 0.00 H new ATOM 0 HB THR A 85 -9.752 -14.908 -2.756 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.250 -15.390 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.916 -15.404 -0.478 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.901 -14.182 -1.281 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.081 -13.686 -0.044 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.799 -11.970 -3.378 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.777 -11.785 -4.389 1.00 0.00 C ATOM 1156 C VAL A 86 -5.509 -12.522 -3.979 1.00 0.00 C ATOM 1157 O VAL A 86 -5.210 -12.632 -2.792 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.503 -10.295 -4.568 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.954 -9.718 -3.266 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.480 -10.097 -5.683 1.00 0.00 C ATOM 0 H VAL A 86 -7.589 -11.529 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.121 -12.194 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.430 -9.784 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.758 -8.653 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.684 -9.860 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.027 -10.228 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.284 -9.033 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.553 -10.608 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.871 -10.509 -6.613 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.764 -13.025 -4.965 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.536 -13.748 -4.702 1.00 0.00 C ATOM 1172 C ASP A 87 -2.342 -12.825 -4.904 1.00 0.00 C ATOM 1173 O ASP A 87 -1.865 -12.661 -6.025 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.448 -14.956 -5.630 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.882 -16.226 -4.912 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.005 -16.161 -3.670 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.083 -17.237 -5.619 1.00 0.00 O ATOM 0 H ASP A 87 -4.998 -12.940 -5.954 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.530 -14.099 -3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.078 -14.794 -6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.426 -15.069 -5.991 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.861 -12.221 -3.815 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.729 -11.319 -3.878 1.00 0.00 C ATOM 1184 C CYS A 88 0.451 -12.020 -4.536 1.00 0.00 C ATOM 1185 O CYS A 88 1.365 -11.365 -5.033 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.367 -10.860 -2.468 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.453 -9.067 -2.234 1.00 0.00 S ATOM 0 H CYS A 88 -2.246 -12.347 -2.879 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.987 -10.445 -4.476 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -1.038 -11.342 -1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.642 -11.199 -2.234 1.00 0.00 H new ATOM 1192 N THR A 89 0.431 -13.354 -4.540 1.00 0.00 N ATOM 1193 CA THR A 89 1.498 -14.131 -5.138 1.00 0.00 C ATOM 1194 C THR A 89 1.174 -14.421 -6.596 1.00 0.00 C ATOM 1195 O THR A 89 1.936 -15.098 -7.282 1.00 0.00 O ATOM 1196 CB THR A 89 1.681 -15.428 -4.356 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.581 -16.278 -4.592 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.773 -15.116 -2.865 1.00 0.00 C ATOM 0 H THR A 89 -0.319 -13.913 -4.132 1.00 0.00 H new ATOM 0 HA THR A 89 2.429 -13.565 -5.101 1.00 0.00 H new ATOM 0 HB THR A 89 2.597 -15.921 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.699 -17.112 -4.091 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.904 -16.043 -2.307 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.624 -14.459 -2.682 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.857 -14.622 -2.539 1.00 0.00 H new ATOM 1206 N THR A 90 0.037 -13.906 -7.071 1.00 0.00 N ATOM 1207 CA THR A 90 -0.378 -14.113 -8.443 1.00 0.00 C ATOM 1208 C THR A 90 -0.242 -12.817 -9.228 1.00 0.00 C ATOM 1209 O THR A 90 -0.053 -12.839 -10.442 1.00 0.00 O ATOM 1210 CB THR A 90 -1.821 -14.611 -8.468 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.859 -15.960 -8.061 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.377 -14.490 -9.884 1.00 0.00 C ATOM 0 H THR A 90 -0.608 -13.343 -6.517 1.00 0.00 H new ATOM 0 HA THR A 90 0.261 -14.863 -8.909 1.00 0.00 H new ATOM 0 HB THR A 90 -2.425 -14.009 -7.789 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.785 -16.280 -8.075 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.407 -14.846 -9.902 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.348 -13.447 -10.199 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.774 -15.091 -10.564 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.338 -11.683 -8.529 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.226 -10.384 -9.161 1.00 0.00 C ATOM 1222 C ALA A 91 0.692 -9.489 -8.341 1.00 0.00 C ATOM 1223 O ALA A 91 1.163 -9.887 -7.278 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.613 -9.761 -9.291 1.00 0.00 C ATOM 0 H ALA A 91 -0.494 -11.648 -7.522 1.00 0.00 H new ATOM 0 HA ALA A 91 0.203 -10.496 -10.157 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.530 -8.784 -9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.247 -10.407 -9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.055 -9.647 -8.301 1.00 0.00 H new ATOM 1230 N ALA A 92 0.947 -8.277 -8.839 1.00 0.00 N ATOM 1231 CA ALA A 92 1.807 -7.334 -8.152 1.00 0.00 C ATOM 1232 C ALA A 92 0.981 -6.480 -7.202 1.00 0.00 C ATOM 1233 O ALA A 92 -0.007 -5.873 -7.609 1.00 0.00 O ATOM 1234 CB ALA A 92 2.525 -6.462 -9.178 1.00 0.00 C ATOM 0 H ALA A 92 0.564 -7.932 -9.720 1.00 0.00 H new ATOM 0 HA ALA A 92 2.552 -7.874 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.172 -5.752 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.126 -7.092 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.790 -5.918 -9.771 1.00 0.00 H new ATOM 1240 N CYS A 93 1.388 -6.433 -5.931 1.00 0.00 N ATOM 1241 CA CYS A 93 0.686 -5.656 -4.930 1.00 0.00 C ATOM 1242 C CYS A 93 1.474 -4.393 -4.613 1.00 0.00 C ATOM 1243 O CYS A 93 2.601 -4.230 -5.075 1.00 0.00 O ATOM 1244 CB CYS A 93 0.491 -6.501 -3.675 1.00 0.00 C ATOM 1245 SG CYS A 93 0.519 -8.285 -3.978 1.00 0.00 S ATOM 0 H CYS A 93 2.206 -6.930 -5.578 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.293 -5.364 -5.311 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.272 -6.252 -2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.461 -6.236 -3.215 1.00 0.00 H new ATOM 1250 N GLN A 94 0.877 -3.497 -3.823 1.00 0.00 N ATOM 1251 CA GLN A 94 1.525 -2.255 -3.451 1.00 0.00 C ATOM 1252 C GLN A 94 0.923 -1.726 -2.157 1.00 0.00 C ATOM 1253 O GLN A 94 -0.262 -1.923 -1.895 1.00 0.00 O ATOM 1254 CB GLN A 94 1.361 -1.240 -4.579 1.00 0.00 C ATOM 1255 CG GLN A 94 0.459 -0.101 -4.113 1.00 0.00 C ATOM 1256 CD GLN A 94 0.010 0.752 -5.290 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.533 0.615 -6.394 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.962 1.636 -5.052 1.00 0.00 N ATOM 0 H GLN A 94 -0.057 -3.617 -3.432 1.00 0.00 H new ATOM 0 HA GLN A 94 2.589 -2.429 -3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.335 -0.849 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.931 -1.722 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.413 -0.508 -3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.992 0.519 -3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.365 1.712 -4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.302 2.235 -5.804 1.00 0.00 H new ATOM 1267 N VAL A 95 1.742 -1.050 -1.348 1.00 0.00 N ATOM 1268 CA VAL A 95 1.288 -0.496 -0.089 1.00 0.00 C ATOM 1269 C VAL A 95 1.124 1.011 -0.219 1.00 0.00 C ATOM 1270 O VAL A 95 1.642 1.615 -1.156 1.00 0.00 O ATOM 1271 CB VAL A 95 2.293 -0.838 1.008 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.031 0.039 2.229 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.143 -2.306 1.395 1.00 0.00 C ATOM 0 H VAL A 95 2.726 -0.877 -1.552 1.00 0.00 H new ATOM 0 HA VAL A 95 0.322 -0.926 0.175 1.00 0.00 H new ATOM 0 HB VAL A 95 3.304 -0.660 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.748 -0.205 3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.138 1.088 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.020 -0.139 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.860 -2.551 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.132 -2.484 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.330 -2.933 0.523 1.00 0.00 H new ATOM 1283 N GLY A 96 0.401 1.620 0.724 1.00 0.00 N ATOM 1284 CA GLY A 96 0.176 3.051 0.705 1.00 0.00 C ATOM 1285 C GLY A 96 -0.687 3.465 1.889 1.00 0.00 C ATOM 1286 O GLY A 96 -1.267 2.618 2.564 1.00 0.00 O ATOM 0 H GLY A 96 -0.036 1.135 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.130 3.577 0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.311 3.337 -0.227 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.770 4.774 2.139 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.559 5.294 3.238 1.00 0.00 C ATOM 1292 C LEU A 97 -2.415 6.457 2.755 1.00 0.00 C ATOM 1293 O LEU A 97 -1.951 7.293 1.982 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.631 5.738 4.365 1.00 0.00 C ATOM 1295 CG LEU A 97 0.287 6.848 3.860 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.361 7.960 4.902 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.683 6.282 3.618 1.00 0.00 C ATOM 0 H LEU A 97 -0.295 5.489 1.588 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.220 4.514 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.216 6.093 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.039 4.893 4.717 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.108 7.251 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.016 8.753 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.637 8.364 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.756 7.558 5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.339 7.074 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.079 5.879 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.630 5.488 2.873 1.00 0.00 H new ATOM 1309 N SER A 98 -3.668 6.508 3.212 1.00 0.00 N ATOM 1310 CA SER A 98 -4.579 7.567 2.826 1.00 0.00 C ATOM 1311 C SER A 98 -5.069 8.304 4.064 1.00 0.00 C ATOM 1312 O SER A 98 -5.250 7.699 5.119 1.00 0.00 O ATOM 1313 CB SER A 98 -5.751 6.971 2.051 1.00 0.00 C ATOM 1314 OG SER A 98 -5.328 6.627 0.751 1.00 0.00 O ATOM 0 H SER A 98 -4.068 5.822 3.852 1.00 0.00 H new ATOM 0 HA SER A 98 -4.062 8.281 2.185 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.131 6.089 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.570 7.688 2.001 1.00 0.00 H new ATOM 0 HG SER A 98 -6.080 6.243 0.253 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.286 9.615 3.934 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.754 10.426 5.040 1.00 0.00 C ATOM 1322 C ASP A 99 -7.237 10.723 4.869 1.00 0.00 C ATOM 1323 O ASP A 99 -7.937 10.007 4.157 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.946 11.719 5.098 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.552 12.780 4.192 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.704 12.479 2.988 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.852 13.873 4.719 1.00 0.00 O ATOM 0 H ASP A 99 -5.142 10.131 3.066 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.618 9.886 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.914 12.086 6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.917 11.523 4.797 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.714 11.784 5.524 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.109 12.169 5.442 1.00 0.00 C ATOM 1334 C ALA A 100 -9.411 12.721 4.056 1.00 0.00 C ATOM 1335 O ALA A 100 -10.397 12.334 3.433 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.412 13.210 6.516 1.00 0.00 C ATOM 0 H ALA A 100 -7.145 12.389 6.117 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.742 11.297 5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.461 13.501 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.209 12.787 7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.783 14.087 6.361 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.558 13.629 3.574 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.738 14.229 2.268 1.00 0.00 C ATOM 1344 C ALA A 101 -8.548 13.176 1.186 1.00 0.00 C ATOM 1345 O ALA A 101 -9.068 13.317 0.081 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.741 15.371 2.092 1.00 0.00 C ATOM 0 H ALA A 101 -7.735 13.960 4.078 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.748 14.630 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.876 15.823 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.909 16.123 2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.726 14.984 2.177 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.800 12.117 1.504 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.549 11.050 0.556 1.00 0.00 C ATOM 1354 C GLY A 102 -6.250 11.308 -0.195 1.00 0.00 C ATOM 1355 O GLY A 102 -6.230 11.310 -1.424 1.00 0.00 O ATOM 0 H GLY A 102 -7.361 11.983 2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.492 10.095 1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.377 10.978 -0.149 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.162 11.525 0.548 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.868 11.781 -0.051 1.00 0.00 C ATOM 1361 C ASN A 103 -2.813 10.891 0.591 1.00 0.00 C ATOM 1362 O ASN A 103 -3.050 10.306 1.646 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.511 13.254 0.124 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.579 13.450 1.312 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.509 14.038 1.173 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.989 12.956 2.483 1.00 0.00 N ATOM 0 H ASN A 103 -5.161 11.527 1.568 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.906 11.552 -1.116 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.034 13.627 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.420 13.838 0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.405 13.059 3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.886 12.475 2.548 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.646 10.788 -0.048 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.566 9.970 0.466 1.00 0.00 C ATOM 1375 C GLY A 104 0.718 10.247 -0.303 1.00 0.00 C ATOM 1376 O GLY A 104 0.701 10.949 -1.312 1.00 0.00 O ATOM 0 H GLY A 104 -1.433 11.265 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.416 10.178 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.828 8.915 0.382 1.00 0.00 H new ATOM 1380 N PRO A 105 1.834 9.694 0.177 1.00 0.00 N ATOM 1381 CA PRO A 105 3.143 9.846 -0.421 1.00 0.00 C ATOM 1382 C PRO A 105 3.213 9.038 -1.709 1.00 0.00 C ATOM 1383 O PRO A 105 2.352 8.199 -1.965 1.00 0.00 O ATOM 1384 CB PRO A 105 4.116 9.299 0.622 1.00 0.00 C ATOM 1385 CG PRO A 105 3.282 8.237 1.338 1.00 0.00 C ATOM 1386 CD PRO A 105 1.890 8.864 1.362 1.00 0.00 C ATOM 0 HA PRO A 105 3.373 10.879 -0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.006 8.871 0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.455 10.077 1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.289 7.288 0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.655 8.039 2.343 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.113 8.100 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.738 9.455 2.265 1.00 0.00 H new ATOM 1394 N GLU A 106 4.241 9.294 -2.521 1.00 0.00 N ATOM 1395 CA GLU A 106 4.413 8.589 -3.776 1.00 0.00 C ATOM 1396 C GLU A 106 4.012 7.130 -3.612 1.00 0.00 C ATOM 1397 O GLU A 106 4.590 6.412 -2.798 1.00 0.00 O ATOM 1398 CB GLU A 106 5.867 8.703 -4.226 1.00 0.00 C ATOM 1399 CG GLU A 106 6.764 7.956 -3.243 1.00 0.00 C ATOM 1400 CD GLU A 106 8.231 8.264 -3.504 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.566 9.468 -3.511 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.990 7.288 -3.693 1.00 0.00 O ATOM 0 H GLU A 106 4.963 9.987 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 106 3.773 9.035 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.982 8.288 -5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.161 9.751 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.505 8.238 -2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.592 6.883 -3.331 1.00 0.00 H new ATOM 1409 N GLY A 107 3.020 6.691 -4.390 1.00 0.00 N ATOM 1410 CA GLY A 107 2.551 5.321 -4.324 1.00 0.00 C ATOM 1411 C GLY A 107 3.725 4.370 -4.134 1.00 0.00 C ATOM 1412 O GLY A 107 4.864 4.718 -4.438 1.00 0.00 O ATOM 0 H GLY A 107 2.531 7.272 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.847 5.210 -3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.014 5.069 -5.238 1.00 0.00 H new ATOM 1416 N VAL A 108 3.444 3.167 -3.628 1.00 0.00 N ATOM 1417 CA VAL A 108 4.473 2.174 -3.399 1.00 0.00 C ATOM 1418 C VAL A 108 4.241 0.974 -4.306 1.00 0.00 C ATOM 1419 O VAL A 108 3.362 0.156 -4.043 1.00 0.00 O ATOM 1420 CB VAL A 108 4.458 1.755 -1.932 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.082 0.369 -1.792 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.259 2.759 -1.108 1.00 0.00 C ATOM 0 H VAL A 108 2.504 2.865 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 108 5.450 2.597 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 108 3.429 1.728 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.071 0.069 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.510 -0.349 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.111 0.395 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.249 2.460 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.288 2.786 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.814 3.749 -1.207 1.00 0.00 H new ATOM 1432 N ALA A 109 5.033 0.869 -5.375 1.00 0.00 N ATOM 1433 CA ALA A 109 4.910 -0.228 -6.314 1.00 0.00 C ATOM 1434 C ALA A 109 5.687 -1.433 -5.803 1.00 0.00 C ATOM 1435 O ALA A 109 6.883 -1.336 -5.537 1.00 0.00 O ATOM 1436 CB ALA A 109 5.430 0.212 -7.679 1.00 0.00 C ATOM 0 H ALA A 109 5.767 1.538 -5.605 1.00 0.00 H new ATOM 0 HA ALA A 109 3.862 -0.512 -6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.338 -0.612 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.847 1.062 -8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.477 0.501 -7.593 1.00 0.00 H new ATOM 1442 N ILE A 110 5.003 -2.571 -5.666 1.00 0.00 N ATOM 1443 CA ILE A 110 5.628 -3.789 -5.189 1.00 0.00 C ATOM 1444 C ILE A 110 5.208 -4.960 -6.065 1.00 0.00 C ATOM 1445 O ILE A 110 4.521 -4.773 -7.068 1.00 0.00 O ATOM 1446 CB ILE A 110 5.231 -4.029 -3.736 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.710 -4.040 -3.618 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.801 -2.915 -2.862 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.291 -5.002 -2.511 1.00 0.00 C ATOM 0 H ILE A 110 4.011 -2.666 -5.882 1.00 0.00 H new ATOM 0 HA ILE A 110 6.712 -3.692 -5.243 1.00 0.00 H new ATOM 0 HB ILE A 110 5.627 -4.989 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.345 -3.037 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.264 -4.343 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.517 -3.086 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.888 -2.908 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.405 -1.955 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.204 -5.009 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.643 -6.006 -2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.726 -4.679 -1.565 1.00 0.00 H new ATOM 1461 N SER A 111 5.621 -6.171 -5.685 1.00 0.00 N ATOM 1462 CA SER A 111 5.285 -7.364 -6.436 1.00 0.00 C ATOM 1463 C SER A 111 5.694 -8.602 -5.651 1.00 0.00 C ATOM 1464 O SER A 111 6.292 -8.493 -4.583 1.00 0.00 O ATOM 1465 CB SER A 111 5.987 -7.326 -7.791 1.00 0.00 C ATOM 1466 OG SER A 111 5.121 -6.767 -8.753 1.00 0.00 O ATOM 0 H SER A 111 6.191 -6.343 -4.857 1.00 0.00 H new ATOM 0 HA SER A 111 4.208 -7.403 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.901 -6.736 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.279 -8.333 -8.090 1.00 0.00 H new ATOM 0 HG SER A 111 5.016 -5.808 -8.581 1.00 0.00 H new ATOM 1472 N PHE A 112 5.370 -9.783 -6.183 1.00 0.00 N ATOM 1473 CA PHE A 112 5.707 -11.032 -5.531 1.00 0.00 C ATOM 1474 C PHE A 112 6.509 -11.911 -6.480 1.00 0.00 C ATOM 1475 O PHE A 112 6.000 -12.336 -7.515 1.00 0.00 O ATOM 1476 CB PHE A 112 4.426 -11.736 -5.092 1.00 0.00 C ATOM 1477 CG PHE A 112 3.692 -11.019 -3.984 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.264 -9.699 -4.168 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.439 -11.675 -2.774 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.582 -9.035 -3.141 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.757 -11.011 -1.747 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.329 -9.691 -1.931 1.00 0.00 C ATOM 0 H PHE A 112 4.873 -9.891 -7.067 1.00 0.00 H new ATOM 0 HA PHE A 112 6.318 -10.834 -4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.763 -11.835 -5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.671 -12.745 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.460 -9.193 -5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.770 -12.693 -2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.251 -8.017 -3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.561 -11.517 -0.813 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.803 -9.179 -1.139 1.00 0.00 H new ATOM 1492 N ASN A 113 7.766 -12.184 -6.125 1.00 0.00 N ATOM 1493 CA ASN A 113 8.628 -13.010 -6.945 1.00 0.00 C ATOM 1494 C ASN A 113 8.826 -12.361 -8.308 1.00 0.00 C ATOM 1495 O ASN A 113 9.741 -12.723 -9.044 1.00 0.00 O ATOM 1496 CB ASN A 113 8.011 -14.398 -7.093 1.00 0.00 C ATOM 1497 CG ASN A 113 8.234 -15.228 -5.837 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.245 -15.917 -5.718 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.288 -15.159 -4.897 1.00 0.00 N ATOM 0 H ASN A 113 8.203 -11.840 -5.270 1.00 0.00 H new ATOM 0 HA ASN A 113 9.603 -13.108 -6.467 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.943 -14.306 -7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.450 -14.906 -7.952 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.387 -15.693 -4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.466 -14.572 -5.042 1.00 0.00 H new