USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 NoAdj-H: A 35 HIS HD1 : A 35 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 26 GLN :FLIP amide:sc= 0 X(o=-0.52,f=-0.24) USER MOD Set 1.2: A 27 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.52) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 26:sc= 0.322 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.31! C(o=-2.3!,f=-2.9!) USER MOD Single : A 31 THR OG1 : rot 151:sc= 0.964 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-4.6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0992 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.051) USER MOD Single : A 59 THR OG1 : rot -62:sc= 0.514 USER MOD Single : A 64 ASN : amide:sc= 0.0992 X(o=0.099,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 144:sc= -9.72! (180deg=-10.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.698 -30.034 18.796 1.00 0.00 N ATOM 2 CA GLY A 1 -31.729 -28.625 18.450 1.00 0.00 C ATOM 3 C GLY A 1 -30.379 -27.956 18.622 1.00 0.00 C ATOM 4 O GLY A 1 -30.131 -27.294 19.630 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.644 -30.445 18.662 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.016 -30.527 18.185 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.412 -30.141 19.790 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.057 -28.515 17.416 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.465 -28.117 19.073 1.00 0.00 H new ATOM 8 N SER A 2 -29.504 -28.129 17.637 1.00 0.00 N ATOM 9 CA SER A 2 -28.171 -27.541 17.687 1.00 0.00 C ATOM 10 C SER A 2 -27.845 -26.821 16.382 1.00 0.00 C ATOM 11 O SER A 2 -28.425 -27.115 15.337 1.00 0.00 O ATOM 12 CB SER A 2 -27.124 -28.623 17.960 1.00 0.00 C ATOM 13 OG SER A 2 -27.068 -28.941 19.340 1.00 0.00 O ATOM 0 H SER A 2 -29.694 -28.672 16.795 1.00 0.00 H new ATOM 0 HA SER A 2 -28.152 -26.813 18.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.364 -29.518 17.387 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.146 -28.281 17.622 1.00 0.00 H new ATOM 0 HG SER A 2 -26.393 -29.636 19.488 1.00 0.00 H new ATOM 19 N SER A 3 -26.913 -25.876 16.451 1.00 0.00 N ATOM 20 CA SER A 3 -26.512 -25.110 15.277 1.00 0.00 C ATOM 21 C SER A 3 -25.366 -25.800 14.544 1.00 0.00 C ATOM 22 O SER A 3 -24.468 -26.367 15.166 1.00 0.00 O ATOM 23 CB SER A 3 -26.094 -23.696 15.683 1.00 0.00 C ATOM 24 OG SER A 3 -26.260 -22.787 14.608 1.00 0.00 O ATOM 0 H SER A 3 -26.421 -25.622 17.308 1.00 0.00 H new ATOM 0 HA SER A 3 -27.367 -25.049 14.604 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.689 -23.368 16.536 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.052 -23.699 16.003 1.00 0.00 H new ATOM 0 HG SER A 3 -25.988 -21.890 14.893 1.00 0.00 H new ATOM 30 N GLY A 4 -25.404 -25.747 13.216 1.00 0.00 N ATOM 31 CA GLY A 4 -24.363 -26.371 12.418 1.00 0.00 C ATOM 32 C GLY A 4 -24.000 -25.551 11.196 1.00 0.00 C ATOM 33 O GLY A 4 -24.734 -25.539 10.208 1.00 0.00 O ATOM 0 H GLY A 4 -26.136 -25.284 12.678 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.474 -26.514 13.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.695 -27.360 12.103 1.00 0.00 H new ATOM 37 N SER A 5 -22.865 -24.863 11.263 1.00 0.00 N ATOM 38 CA SER A 5 -22.409 -24.032 10.155 1.00 0.00 C ATOM 39 C SER A 5 -20.990 -24.411 9.740 1.00 0.00 C ATOM 40 O SER A 5 -20.073 -24.417 10.560 1.00 0.00 O ATOM 41 CB SER A 5 -22.461 -22.553 10.544 1.00 0.00 C ATOM 42 OG SER A 5 -21.553 -22.270 11.595 1.00 0.00 O ATOM 0 H SER A 5 -22.244 -24.865 12.073 1.00 0.00 H new ATOM 0 HA SER A 5 -23.074 -24.201 9.308 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.222 -21.937 9.677 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.473 -22.290 10.853 1.00 0.00 H new ATOM 0 HG SER A 5 -20.819 -22.919 11.577 1.00 0.00 H new ATOM 48 N SER A 6 -20.819 -24.727 8.460 1.00 0.00 N ATOM 49 CA SER A 6 -19.514 -25.111 7.936 1.00 0.00 C ATOM 50 C SER A 6 -18.560 -23.920 7.926 1.00 0.00 C ATOM 51 O SER A 6 -18.928 -22.819 7.520 1.00 0.00 O ATOM 52 CB SER A 6 -19.656 -25.676 6.521 1.00 0.00 C ATOM 53 OG SER A 6 -20.112 -27.018 6.551 1.00 0.00 O ATOM 0 H SER A 6 -21.568 -24.725 7.767 1.00 0.00 H new ATOM 0 HA SER A 6 -19.100 -25.880 8.588 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.354 -25.064 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.696 -25.626 6.008 1.00 0.00 H new ATOM 0 HG SER A 6 -20.196 -27.355 5.635 1.00 0.00 H new ATOM 59 N GLY A 7 -17.331 -24.151 8.378 1.00 0.00 N ATOM 60 CA GLY A 7 -16.343 -23.089 8.414 1.00 0.00 C ATOM 61 C GLY A 7 -15.319 -23.213 7.304 1.00 0.00 C ATOM 62 O GLY A 7 -14.733 -24.276 7.106 1.00 0.00 O ATOM 0 H GLY A 7 -17.002 -25.054 8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.846 -22.126 8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.834 -23.103 9.378 1.00 0.00 H new ATOM 66 N GLY A 8 -15.103 -22.121 6.576 1.00 0.00 N ATOM 67 CA GLY A 8 -14.143 -22.134 5.487 1.00 0.00 C ATOM 68 C GLY A 8 -12.836 -21.463 5.858 1.00 0.00 C ATOM 69 O GLY A 8 -12.736 -20.236 5.849 1.00 0.00 O ATOM 0 H GLY A 8 -15.575 -21.229 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.947 -23.165 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.573 -21.630 4.621 1.00 0.00 H new ATOM 73 N SER A 9 -11.832 -22.268 6.188 1.00 0.00 N ATOM 74 CA SER A 9 -10.525 -21.745 6.570 1.00 0.00 C ATOM 75 C SER A 9 -9.771 -21.225 5.350 1.00 0.00 C ATOM 76 O SER A 9 -9.287 -22.003 4.529 1.00 0.00 O ATOM 77 CB SER A 9 -9.702 -22.828 7.269 1.00 0.00 C ATOM 78 OG SER A 9 -8.633 -22.261 8.006 1.00 0.00 O ATOM 0 H SER A 9 -11.898 -23.286 6.199 1.00 0.00 H new ATOM 0 HA SER A 9 -10.681 -20.916 7.260 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.344 -23.402 7.937 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.308 -23.524 6.529 1.00 0.00 H new ATOM 0 HG SER A 9 -8.124 -22.974 8.445 1.00 0.00 H new ATOM 84 N GLU A 10 -9.675 -19.904 5.239 1.00 0.00 N ATOM 85 CA GLU A 10 -8.980 -19.280 4.120 1.00 0.00 C ATOM 86 C GLU A 10 -7.580 -18.833 4.529 1.00 0.00 C ATOM 87 O GLU A 10 -7.412 -18.100 5.503 1.00 0.00 O ATOM 88 CB GLU A 10 -9.778 -18.082 3.599 1.00 0.00 C ATOM 89 CG GLU A 10 -9.208 -17.478 2.327 1.00 0.00 C ATOM 90 CD GLU A 10 -9.847 -16.148 1.975 1.00 0.00 C ATOM 91 OE1 GLU A 10 -10.865 -16.153 1.252 1.00 0.00 O ATOM 92 OE2 GLU A 10 -9.329 -15.104 2.423 1.00 0.00 O ATOM 0 H GLU A 10 -10.070 -19.245 5.910 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.888 -20.020 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.806 -18.394 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.812 -17.315 4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.133 -17.341 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.352 -18.176 1.502 1.00 0.00 H new ATOM 99 N GLU A 11 -6.579 -19.280 3.778 1.00 0.00 N ATOM 100 CA GLU A 11 -5.193 -18.928 4.064 1.00 0.00 C ATOM 101 C GLU A 11 -4.835 -17.581 3.443 1.00 0.00 C ATOM 102 O GLU A 11 -4.600 -17.484 2.239 1.00 0.00 O ATOM 103 CB GLU A 11 -4.249 -20.011 3.539 1.00 0.00 C ATOM 104 CG GLU A 11 -2.825 -19.880 4.053 1.00 0.00 C ATOM 105 CD GLU A 11 -2.605 -20.622 5.357 1.00 0.00 C ATOM 106 OE1 GLU A 11 -2.728 -21.864 5.360 1.00 0.00 O ATOM 107 OE2 GLU A 11 -2.310 -19.960 6.374 1.00 0.00 O ATOM 0 H GLU A 11 -6.702 -19.886 2.967 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.080 -18.852 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.639 -20.989 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.238 -19.974 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.135 -20.262 3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.590 -18.825 4.195 1.00 0.00 H new ATOM 114 N GLU A 12 -4.796 -16.544 4.274 1.00 0.00 N ATOM 115 CA GLU A 12 -4.469 -15.202 3.806 1.00 0.00 C ATOM 116 C GLU A 12 -3.548 -14.491 4.794 1.00 0.00 C ATOM 117 O GLU A 12 -3.984 -14.050 5.856 1.00 0.00 O ATOM 118 CB GLU A 12 -5.745 -14.384 3.602 1.00 0.00 C ATOM 119 CG GLU A 12 -5.504 -13.032 2.950 1.00 0.00 C ATOM 120 CD GLU A 12 -4.812 -13.149 1.605 1.00 0.00 C ATOM 121 OE1 GLU A 12 -3.619 -13.517 1.581 1.00 0.00 O ATOM 122 OE2 GLU A 12 -5.465 -12.871 0.577 1.00 0.00 O ATOM 0 H GLU A 12 -4.987 -16.607 5.274 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.949 -15.294 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.439 -14.956 2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.227 -14.231 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.457 -12.520 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.898 -12.415 3.614 1.00 0.00 H new ATOM 129 N GLU A 13 -2.272 -14.385 4.434 1.00 0.00 N ATOM 130 CA GLU A 13 -1.290 -13.729 5.289 1.00 0.00 C ATOM 131 C GLU A 13 -1.569 -12.232 5.388 1.00 0.00 C ATOM 132 O GLU A 13 -1.458 -11.640 6.462 1.00 0.00 O ATOM 133 CB GLU A 13 0.123 -13.962 4.751 1.00 0.00 C ATOM 134 CG GLU A 13 0.383 -13.292 3.412 1.00 0.00 C ATOM 135 CD GLU A 13 0.827 -11.850 3.557 1.00 0.00 C ATOM 136 OE1 GLU A 13 1.592 -11.556 4.500 1.00 0.00 O ATOM 137 OE2 GLU A 13 0.410 -11.014 2.728 1.00 0.00 O ATOM 0 H GLU A 13 -1.895 -14.745 3.557 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.367 -14.162 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.845 -13.592 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.292 -15.034 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.148 -13.851 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.524 -13.330 2.809 1.00 0.00 H new ATOM 144 N ILE A 14 -1.929 -11.628 4.261 1.00 0.00 N ATOM 145 CA ILE A 14 -2.224 -10.201 4.221 1.00 0.00 C ATOM 146 C ILE A 14 -2.883 -9.739 5.516 1.00 0.00 C ATOM 147 O ILE A 14 -3.765 -10.401 6.063 1.00 0.00 O ATOM 148 CB ILE A 14 -3.143 -9.849 3.036 1.00 0.00 C ATOM 149 CG1 ILE A 14 -2.474 -10.230 1.713 1.00 0.00 C ATOM 150 CG2 ILE A 14 -3.487 -8.367 3.055 1.00 0.00 C ATOM 151 CD1 ILE A 14 -3.409 -10.169 0.525 1.00 0.00 C ATOM 0 H ILE A 14 -2.023 -12.104 3.364 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.272 -9.685 4.097 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.068 -10.418 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.630 -9.563 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.070 -11.239 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.137 -8.133 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.999 -8.124 3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.572 -7.780 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.868 -10.451 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.240 -10.857 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.793 -9.155 0.416 1.00 0.00 H new ATOM 163 N PRO A 15 -2.449 -8.574 6.018 1.00 0.00 N ATOM 164 CA PRO A 15 -2.985 -7.995 7.254 1.00 0.00 C ATOM 165 C PRO A 15 -4.418 -7.501 7.089 1.00 0.00 C ATOM 166 O PRO A 15 -4.891 -7.302 5.970 1.00 0.00 O ATOM 167 CB PRO A 15 -2.044 -6.821 7.534 1.00 0.00 C ATOM 168 CG PRO A 15 -1.495 -6.449 6.199 1.00 0.00 C ATOM 169 CD PRO A 15 -1.400 -7.731 5.419 1.00 0.00 C ATOM 0 HA PRO A 15 -3.028 -8.726 8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.577 -5.986 7.990 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.249 -7.106 8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.145 -5.733 5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.517 -5.978 6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.574 -7.568 4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.415 -8.187 5.514 1.00 0.00 H new ATOM 177 N PHE A 16 -5.105 -7.306 8.209 1.00 0.00 N ATOM 178 CA PHE A 16 -6.485 -6.835 8.188 1.00 0.00 C ATOM 179 C PHE A 16 -6.568 -5.373 8.617 1.00 0.00 C ATOM 180 O PHE A 16 -7.366 -4.603 8.083 1.00 0.00 O ATOM 181 CB PHE A 16 -7.354 -7.697 9.106 1.00 0.00 C ATOM 182 CG PHE A 16 -7.101 -9.171 8.961 1.00 0.00 C ATOM 183 CD1 PHE A 16 -7.798 -9.918 8.026 1.00 0.00 C ATOM 184 CD2 PHE A 16 -6.166 -9.809 9.761 1.00 0.00 C ATOM 185 CE1 PHE A 16 -7.567 -11.274 7.889 1.00 0.00 C ATOM 186 CE2 PHE A 16 -5.931 -11.164 9.629 1.00 0.00 C ATOM 187 CZ PHE A 16 -6.633 -11.898 8.693 1.00 0.00 C ATOM 0 H PHE A 16 -4.729 -7.467 9.143 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.855 -6.917 7.166 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.175 -7.406 10.141 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.404 -7.494 8.895 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.531 -9.435 7.396 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.615 -9.241 10.496 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.116 -11.845 7.155 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.199 -11.649 10.257 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.452 -12.958 8.590 1.00 0.00 H new ATOM 197 N ARG A 17 -5.737 -4.998 9.584 1.00 0.00 N ATOM 198 CA ARG A 17 -5.718 -3.629 10.086 1.00 0.00 C ATOM 199 C ARG A 17 -4.285 -3.130 10.247 1.00 0.00 C ATOM 200 O ARG A 17 -3.342 -3.921 10.298 1.00 0.00 O ATOM 201 CB ARG A 17 -6.452 -3.544 11.425 1.00 0.00 C ATOM 202 CG ARG A 17 -5.632 -4.047 12.603 1.00 0.00 C ATOM 203 CD ARG A 17 -6.150 -3.490 13.920 1.00 0.00 C ATOM 204 NE ARG A 17 -7.147 -4.366 14.530 1.00 0.00 N ATOM 205 CZ ARG A 17 -6.841 -5.403 15.301 1.00 0.00 C ATOM 206 NH1 ARG A 17 -5.573 -5.692 15.556 1.00 0.00 N ATOM 207 NH2 ARG A 17 -7.805 -6.152 15.820 1.00 0.00 N ATOM 0 H ARG A 17 -5.068 -5.622 10.035 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.227 -2.995 9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.737 -2.508 11.608 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.374 -4.122 11.362 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.662 -5.136 12.630 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.589 -3.760 12.471 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.316 -3.354 14.609 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.587 -2.506 13.751 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.133 -4.170 14.354 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.829 -5.117 15.160 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.341 -6.489 16.149 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.782 -5.932 15.627 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.569 -6.948 16.412 1.00 0.00 H new ATOM 221 N CYS A 18 -4.128 -1.813 10.325 1.00 0.00 N ATOM 222 CA CYS A 18 -2.811 -1.207 10.479 1.00 0.00 C ATOM 223 C CYS A 18 -2.117 -1.725 11.736 1.00 0.00 C ATOM 224 O CYS A 18 -2.760 -2.270 12.633 1.00 0.00 O ATOM 225 CB CYS A 18 -2.932 0.317 10.541 1.00 0.00 C ATOM 226 SG CYS A 18 -1.350 1.178 10.817 1.00 0.00 S ATOM 0 H CYS A 18 -4.897 -1.144 10.284 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.209 -1.482 9.613 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.370 0.674 9.609 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.623 0.584 11.341 1.00 0.00 H new ATOM 231 N PHE A 19 -0.801 -1.550 11.793 1.00 0.00 N ATOM 232 CA PHE A 19 -0.019 -2.000 12.939 1.00 0.00 C ATOM 233 C PHE A 19 0.533 -0.811 13.721 1.00 0.00 C ATOM 234 O PHE A 19 0.719 -0.887 14.936 1.00 0.00 O ATOM 235 CB PHE A 19 1.129 -2.900 12.478 1.00 0.00 C ATOM 236 CG PHE A 19 1.669 -2.537 11.124 1.00 0.00 C ATOM 237 CD1 PHE A 19 1.006 -2.929 9.972 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.838 -1.804 11.003 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.500 -2.596 8.724 1.00 0.00 C ATOM 240 CE2 PHE A 19 3.336 -1.468 9.759 1.00 0.00 C ATOM 241 CZ PHE A 19 2.667 -1.866 8.618 1.00 0.00 C ATOM 0 H PHE A 19 -0.254 -1.100 11.059 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.677 -2.570 13.595 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.937 -2.848 13.208 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.784 -3.934 12.457 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.093 -3.501 10.050 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.366 -1.491 11.892 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.974 -2.907 7.834 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.248 -0.895 9.679 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.056 -1.607 7.645 1.00 0.00 H new ATOM 251 N ILE A 20 0.794 0.284 13.015 1.00 0.00 N ATOM 252 CA ILE A 20 1.324 1.488 13.642 1.00 0.00 C ATOM 253 C ILE A 20 0.315 2.093 14.611 1.00 0.00 C ATOM 254 O ILE A 20 0.683 2.609 15.667 1.00 0.00 O ATOM 255 CB ILE A 20 1.710 2.547 12.592 1.00 0.00 C ATOM 256 CG1 ILE A 20 2.815 2.012 11.679 1.00 0.00 C ATOM 257 CG2 ILE A 20 2.154 3.832 13.274 1.00 0.00 C ATOM 258 CD1 ILE A 20 2.961 2.789 10.389 1.00 0.00 C ATOM 0 H ILE A 20 0.647 0.362 12.009 1.00 0.00 H new ATOM 0 HA ILE A 20 2.217 1.190 14.191 1.00 0.00 H new ATOM 0 HB ILE A 20 0.835 2.767 11.981 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.763 2.035 12.217 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.607 0.968 11.444 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.423 4.570 12.519 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.339 4.219 13.886 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.018 3.628 13.907 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.762 2.355 9.791 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.026 2.745 9.830 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.200 3.828 10.615 1.00 0.00 H new ATOM 270 N CYS A 21 -0.961 2.025 14.247 1.00 0.00 N ATOM 271 CA CYS A 21 -2.026 2.565 15.084 1.00 0.00 C ATOM 272 C CYS A 21 -2.966 1.457 15.550 1.00 0.00 C ATOM 273 O CYS A 21 -3.763 1.650 16.468 1.00 0.00 O ATOM 274 CB CYS A 21 -2.814 3.629 14.319 1.00 0.00 C ATOM 275 SG CYS A 21 -3.441 3.072 12.702 1.00 0.00 S ATOM 0 H CYS A 21 -1.283 1.601 13.377 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.568 3.022 15.961 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.656 3.952 14.931 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.176 4.500 14.169 1.00 0.00 H new ATOM 280 N ARG A 22 -2.866 0.296 14.911 1.00 0.00 N ATOM 281 CA ARG A 22 -3.707 -0.843 15.259 1.00 0.00 C ATOM 282 C ARG A 22 -5.177 -0.538 14.982 1.00 0.00 C ATOM 283 O ARG A 22 -6.061 -0.983 15.714 1.00 0.00 O ATOM 284 CB ARG A 22 -3.521 -1.211 16.732 1.00 0.00 C ATOM 285 CG ARG A 22 -2.081 -1.525 17.103 1.00 0.00 C ATOM 286 CD ARG A 22 -1.641 -2.868 16.542 1.00 0.00 C ATOM 287 NE ARG A 22 -0.621 -3.502 17.373 1.00 0.00 N ATOM 288 CZ ARG A 22 -0.875 -4.056 18.553 1.00 0.00 C ATOM 289 NH1 ARG A 22 -2.109 -4.055 19.038 1.00 0.00 N ATOM 290 NH2 ARG A 22 0.107 -4.613 19.251 1.00 0.00 N ATOM 0 H ARG A 22 -2.211 0.119 14.149 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.405 -1.688 14.640 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.876 -0.387 17.351 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.144 -2.075 16.964 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.427 -0.739 16.724 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.977 -1.531 18.188 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.505 -3.528 16.462 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.252 -2.729 15.533 1.00 0.00 H new ATOM 0 HE ARG A 22 0.339 -3.520 17.028 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.866 -3.628 18.505 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.301 -4.481 19.945 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.058 -4.616 18.881 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.089 -5.038 20.157 1.00 0.00 H new ATOM 304 N GLN A 23 -5.428 0.223 13.922 1.00 0.00 N ATOM 305 CA GLN A 23 -6.790 0.588 13.550 1.00 0.00 C ATOM 306 C GLN A 23 -7.106 0.135 12.128 1.00 0.00 C ATOM 307 O GLN A 23 -6.238 -0.377 11.422 1.00 0.00 O ATOM 308 CB GLN A 23 -6.986 2.100 13.671 1.00 0.00 C ATOM 309 CG GLN A 23 -6.031 2.761 14.652 1.00 0.00 C ATOM 310 CD GLN A 23 -6.490 2.632 16.091 1.00 0.00 C ATOM 311 OE1 GLN A 23 -7.568 2.105 16.366 1.00 0.00 O ATOM 312 NE2 GLN A 23 -5.671 3.113 17.019 1.00 0.00 N ATOM 0 H GLN A 23 -4.707 0.599 13.306 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.474 0.084 14.233 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.857 2.554 12.689 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.011 2.301 13.983 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.043 2.313 14.549 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.931 3.817 14.400 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.787 3.542 16.746 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.926 3.054 18.005 1.00 0.00 H new ATOM 321 N ALA A 24 -8.354 0.327 11.715 1.00 0.00 N ATOM 322 CA ALA A 24 -8.784 -0.060 10.377 1.00 0.00 C ATOM 323 C ALA A 24 -7.934 0.620 9.309 1.00 0.00 C ATOM 324 O ALA A 24 -7.795 1.843 9.298 1.00 0.00 O ATOM 325 CB ALA A 24 -10.255 0.276 10.177 1.00 0.00 C ATOM 0 H ALA A 24 -9.085 0.748 12.288 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.652 -1.137 10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.562 -0.018 9.174 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.854 -0.261 10.912 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.403 1.349 10.302 1.00 0.00 H new ATOM 331 N PHE A 25 -7.368 -0.181 8.412 1.00 0.00 N ATOM 332 CA PHE A 25 -6.530 0.344 7.340 1.00 0.00 C ATOM 333 C PHE A 25 -7.225 1.497 6.621 1.00 0.00 C ATOM 334 O PHE A 25 -8.221 1.297 5.926 1.00 0.00 O ATOM 335 CB PHE A 25 -6.189 -0.764 6.342 1.00 0.00 C ATOM 336 CG PHE A 25 -4.949 -1.532 6.699 1.00 0.00 C ATOM 337 CD1 PHE A 25 -3.763 -0.870 6.972 1.00 0.00 C ATOM 338 CD2 PHE A 25 -4.969 -2.916 6.760 1.00 0.00 C ATOM 339 CE1 PHE A 25 -2.620 -1.574 7.302 1.00 0.00 C ATOM 340 CE2 PHE A 25 -3.830 -3.625 7.089 1.00 0.00 C ATOM 341 CZ PHE A 25 -2.653 -2.954 7.359 1.00 0.00 C ATOM 0 H PHE A 25 -7.474 -1.195 8.406 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.608 0.720 7.784 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.029 -1.456 6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.062 -0.324 5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.731 0.209 6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.885 -3.447 6.548 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.702 -1.046 7.515 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.860 -4.704 7.135 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.761 -3.507 7.614 1.00 0.00 H new ATOM 351 N GLN A 26 -6.693 2.702 6.795 1.00 0.00 N ATOM 352 CA GLN A 26 -7.263 3.886 6.164 1.00 0.00 C ATOM 353 C GLN A 26 -6.352 4.404 5.055 1.00 0.00 C ATOM 354 O GLN A 26 -5.309 4.998 5.323 1.00 0.00 O ATOM 355 CB GLN A 26 -7.493 4.984 7.205 1.00 0.00 C ATOM 356 CG GLN A 26 -8.385 6.112 6.712 1.00 0.00 C ATOM 357 CD GLN A 26 -8.164 7.405 7.472 1.00 0.00 C ATOM 358 OE1 GLN A 26 -7.687 8.429 6.774 1.00 0.00 O flip ATOM 359 NE2 GLN A 26 -8.419 7.483 8.674 1.00 0.00 N flip ATOM 0 H GLN A 26 -5.869 2.884 7.367 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.220 3.607 5.723 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.940 4.541 8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.530 5.398 7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.197 6.282 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.429 5.813 6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.784 6.671 9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.265 8.360 9.172 1.00 0.00 H new ATOM 368 N ASN A 27 -6.755 4.174 3.810 1.00 0.00 N ATOM 369 CA ASN A 27 -5.975 4.616 2.660 1.00 0.00 C ATOM 370 C ASN A 27 -4.562 4.043 2.709 1.00 0.00 C ATOM 371 O ASN A 27 -3.569 4.765 2.616 1.00 0.00 O ATOM 372 CB ASN A 27 -5.916 6.144 2.615 1.00 0.00 C ATOM 373 CG ASN A 27 -7.219 6.786 3.050 1.00 0.00 C ATOM 374 OD1 ASN A 27 -8.299 6.240 2.823 1.00 0.00 O ATOM 375 ND2 ASN A 27 -7.123 7.952 3.679 1.00 0.00 N ATOM 0 H ASN A 27 -7.617 3.684 3.572 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.465 4.251 1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.109 6.493 3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.676 6.466 1.602 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.966 8.432 3.995 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.207 8.368 3.846 1.00 0.00 H new ATOM 382 N PRO A 28 -4.467 2.713 2.857 1.00 0.00 N ATOM 383 CA PRO A 28 -3.181 2.013 2.921 1.00 0.00 C ATOM 384 C PRO A 28 -2.454 2.013 1.580 1.00 0.00 C ATOM 385 O PRO A 28 -3.075 1.874 0.526 1.00 0.00 O ATOM 386 CB PRO A 28 -3.572 0.587 3.317 1.00 0.00 C ATOM 387 CG PRO A 28 -4.976 0.433 2.841 1.00 0.00 C ATOM 388 CD PRO A 28 -5.609 1.791 2.975 1.00 0.00 C ATOM 0 HA PRO A 28 -2.492 2.490 3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.914 -0.147 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.501 0.442 4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.002 0.090 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.511 -0.308 3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.350 1.968 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.119 1.904 3.932 1.00 0.00 H new ATOM 396 N VAL A 29 -1.135 2.169 1.627 1.00 0.00 N ATOM 397 CA VAL A 29 -0.324 2.185 0.416 1.00 0.00 C ATOM 398 C VAL A 29 0.717 1.071 0.437 1.00 0.00 C ATOM 399 O VAL A 29 1.296 0.767 1.480 1.00 0.00 O ATOM 400 CB VAL A 29 0.391 3.537 0.238 1.00 0.00 C ATOM 401 CG1 VAL A 29 -0.620 4.650 0.008 1.00 0.00 C ATOM 402 CG2 VAL A 29 1.265 3.841 1.445 1.00 0.00 C ATOM 0 H VAL A 29 -0.605 2.286 2.491 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.003 2.028 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 29 1.033 3.475 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.096 5.598 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.199 4.436 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.291 4.715 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.763 4.800 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.646 3.884 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.014 3.057 1.559 1.00 0.00 H new ATOM 412 N VAL A 30 0.951 0.465 -0.723 1.00 0.00 N ATOM 413 CA VAL A 30 1.924 -0.615 -0.839 1.00 0.00 C ATOM 414 C VAL A 30 3.317 -0.070 -1.135 1.00 0.00 C ATOM 415 O VAL A 30 3.487 0.806 -1.984 1.00 0.00 O ATOM 416 CB VAL A 30 1.528 -1.610 -1.946 1.00 0.00 C ATOM 417 CG1 VAL A 30 1.713 -0.982 -3.320 1.00 0.00 C ATOM 418 CG2 VAL A 30 2.337 -2.892 -1.824 1.00 0.00 C ATOM 0 H VAL A 30 0.480 0.704 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 30 1.936 -1.135 0.119 1.00 0.00 H new ATOM 0 HB VAL A 30 0.474 -1.860 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.428 -1.700 -4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.086 -0.094 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.758 -0.702 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.044 -3.584 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.398 -2.663 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.149 -3.350 -0.853 1.00 0.00 H new ATOM 428 N THR A 31 4.313 -0.594 -0.428 1.00 0.00 N ATOM 429 CA THR A 31 5.692 -0.161 -0.614 1.00 0.00 C ATOM 430 C THR A 31 6.524 -1.246 -1.289 1.00 0.00 C ATOM 431 O THR A 31 6.028 -2.337 -1.572 1.00 0.00 O ATOM 432 CB THR A 31 6.349 0.213 0.728 1.00 0.00 C ATOM 433 OG1 THR A 31 6.060 -0.788 1.711 1.00 0.00 O ATOM 434 CG2 THR A 31 5.853 1.566 1.215 1.00 0.00 C ATOM 0 H THR A 31 4.190 -1.319 0.279 1.00 0.00 H new ATOM 0 HA THR A 31 5.662 0.721 -1.254 1.00 0.00 H new ATOM 0 HB THR A 31 7.427 0.272 0.575 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.794 -0.832 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.331 1.809 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.100 2.331 0.479 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.772 1.530 1.352 1.00 0.00 H new ATOM 442 N LYS A 32 7.791 -0.941 -1.544 1.00 0.00 N ATOM 443 CA LYS A 32 8.694 -1.890 -2.184 1.00 0.00 C ATOM 444 C LYS A 32 8.893 -3.125 -1.311 1.00 0.00 C ATOM 445 O LYS A 32 9.164 -4.216 -1.813 1.00 0.00 O ATOM 446 CB LYS A 32 10.045 -1.230 -2.468 1.00 0.00 C ATOM 447 CG LYS A 32 10.064 -0.408 -3.745 1.00 0.00 C ATOM 448 CD LYS A 32 11.305 0.465 -3.828 1.00 0.00 C ATOM 449 CE LYS A 32 11.694 0.745 -5.271 1.00 0.00 C ATOM 450 NZ LYS A 32 12.558 -0.331 -5.831 1.00 0.00 N ATOM 0 H LYS A 32 8.217 -0.042 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 32 8.244 -2.201 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.310 -0.587 -1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.811 -2.003 -2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.028 -1.073 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.173 0.219 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.124 1.407 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.132 -0.027 -3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.794 0.841 -5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.219 1.699 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.802 -0.103 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.429 -0.406 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.048 -1.237 -5.801 1.00 0.00 H new ATOM 464 N CYS A 33 8.755 -2.947 -0.001 1.00 0.00 N ATOM 465 CA CYS A 33 8.919 -4.046 0.942 1.00 0.00 C ATOM 466 C CYS A 33 7.639 -4.871 1.043 1.00 0.00 C ATOM 467 O CYS A 33 7.472 -5.666 1.968 1.00 0.00 O ATOM 468 CB CYS A 33 9.302 -3.508 2.322 1.00 0.00 C ATOM 469 SG CYS A 33 8.272 -2.118 2.891 1.00 0.00 S ATOM 0 H CYS A 33 8.530 -2.051 0.431 1.00 0.00 H new ATOM 0 HA CYS A 33 9.718 -4.690 0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.233 -4.318 3.048 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.344 -3.189 2.299 1.00 0.00 H new ATOM 474 N ARG A 34 6.738 -4.675 0.086 1.00 0.00 N ATOM 475 CA ARG A 34 5.473 -5.400 0.067 1.00 0.00 C ATOM 476 C ARG A 34 4.726 -5.224 1.386 1.00 0.00 C ATOM 477 O ARG A 34 4.215 -6.188 1.955 1.00 0.00 O ATOM 478 CB ARG A 34 5.717 -6.887 -0.199 1.00 0.00 C ATOM 479 CG ARG A 34 5.706 -7.251 -1.675 1.00 0.00 C ATOM 480 CD ARG A 34 4.313 -7.644 -2.141 1.00 0.00 C ATOM 481 NE ARG A 34 4.346 -8.380 -3.402 1.00 0.00 N ATOM 482 CZ ARG A 34 3.543 -9.402 -3.677 1.00 0.00 C ATOM 483 NH1 ARG A 34 2.649 -9.807 -2.785 1.00 0.00 N ATOM 484 NH2 ARG A 34 3.633 -10.022 -4.847 1.00 0.00 N ATOM 0 H ARG A 34 6.860 -4.020 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 34 4.860 -4.990 -0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.678 -7.171 0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.953 -7.470 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.062 -6.405 -2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.397 -8.075 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.834 -8.256 -1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.704 -6.748 -2.260 1.00 0.00 H new ATOM 0 HE ARG A 34 5.022 -8.094 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.576 -9.333 -1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.034 -10.592 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.319 -9.714 -5.536 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.016 -10.807 -5.057 1.00 0.00 H new ATOM 498 N HIS A 35 4.668 -3.986 1.866 1.00 0.00 N ATOM 499 CA HIS A 35 3.984 -3.683 3.118 1.00 0.00 C ATOM 500 C HIS A 35 2.940 -2.589 2.916 1.00 0.00 C ATOM 501 O HIS A 35 2.970 -1.865 1.921 1.00 0.00 O ATOM 502 CB HIS A 35 4.992 -3.252 4.184 1.00 0.00 C ATOM 503 CG HIS A 35 5.793 -4.386 4.745 1.00 0.00 C ATOM 504 ND1 HIS A 35 6.900 -4.202 5.546 1.00 0.00 N ATOM 505 CD2 HIS A 35 5.642 -5.725 4.617 1.00 0.00 C ATOM 506 CE1 HIS A 35 7.395 -5.378 5.886 1.00 0.00 C ATOM 507 NE2 HIS A 35 6.650 -6.319 5.336 1.00 0.00 N ATOM 0 H HIS A 35 5.086 -3.177 1.407 1.00 0.00 H new ATOM 0 HA HIS A 35 3.477 -4.587 3.454 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.671 -2.516 3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.460 -2.757 4.996 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.872 -6.232 4.054 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.262 -5.542 6.508 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.799 -7.324 5.430 1.00 0.00 H new ATOM 515 N TYR A 36 2.017 -2.476 3.865 1.00 0.00 N ATOM 516 CA TYR A 36 0.962 -1.472 3.789 1.00 0.00 C ATOM 517 C TYR A 36 0.937 -0.612 5.049 1.00 0.00 C ATOM 518 O TYR A 36 1.234 -1.087 6.146 1.00 0.00 O ATOM 519 CB TYR A 36 -0.397 -2.145 3.591 1.00 0.00 C ATOM 520 CG TYR A 36 -0.359 -3.318 2.637 1.00 0.00 C ATOM 521 CD1 TYR A 36 -0.353 -3.119 1.262 1.00 0.00 C ATOM 522 CD2 TYR A 36 -0.331 -4.624 3.110 1.00 0.00 C ATOM 523 CE1 TYR A 36 -0.319 -4.187 0.386 1.00 0.00 C ATOM 524 CE2 TYR A 36 -0.295 -5.697 2.242 1.00 0.00 C ATOM 525 CZ TYR A 36 -0.289 -5.474 0.881 1.00 0.00 C ATOM 526 OH TYR A 36 -0.255 -6.541 0.013 1.00 0.00 O ATOM 0 H TYR A 36 1.978 -3.067 4.695 1.00 0.00 H new ATOM 0 HA TYR A 36 1.169 -0.827 2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.769 -2.485 4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.107 -1.407 3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.375 -2.112 0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.338 -4.803 4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.316 -4.015 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.272 -6.706 2.627 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.236 -7.377 0.523 1.00 0.00 H new ATOM 536 N PHE A 37 0.581 0.658 4.883 1.00 0.00 N ATOM 537 CA PHE A 37 0.517 1.586 6.006 1.00 0.00 C ATOM 538 C PHE A 37 -0.462 2.721 5.717 1.00 0.00 C ATOM 539 O PHE A 37 -0.550 3.209 4.590 1.00 0.00 O ATOM 540 CB PHE A 37 1.905 2.158 6.302 1.00 0.00 C ATOM 541 CG PHE A 37 3.022 1.195 6.017 1.00 0.00 C ATOM 542 CD1 PHE A 37 3.333 0.839 4.715 1.00 0.00 C ATOM 543 CD2 PHE A 37 3.762 0.646 7.052 1.00 0.00 C ATOM 544 CE1 PHE A 37 4.361 -0.045 4.449 1.00 0.00 C ATOM 545 CE2 PHE A 37 4.792 -0.239 6.792 1.00 0.00 C ATOM 546 CZ PHE A 37 5.090 -0.586 5.489 1.00 0.00 C ATOM 0 H PHE A 37 0.333 1.067 3.982 1.00 0.00 H new ATOM 0 HA PHE A 37 0.164 1.038 6.879 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.052 3.060 5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.951 2.456 7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.765 1.258 3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.532 0.912 8.073 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.594 -0.312 3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.363 -0.658 7.607 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.892 -1.280 5.284 1.00 0.00 H new ATOM 556 N CYS A 38 -1.195 3.137 6.744 1.00 0.00 N ATOM 557 CA CYS A 38 -2.168 4.214 6.603 1.00 0.00 C ATOM 558 C CYS A 38 -1.536 5.436 5.943 1.00 0.00 C ATOM 559 O CYS A 38 -0.479 5.903 6.365 1.00 0.00 O ATOM 560 CB CYS A 38 -2.738 4.597 7.970 1.00 0.00 C ATOM 561 SG CYS A 38 -3.339 3.182 8.948 1.00 0.00 S ATOM 0 H CYS A 38 -1.134 2.745 7.683 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.977 3.857 5.966 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.968 5.118 8.540 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.558 5.300 7.826 1.00 0.00 H new ATOM 566 N GLU A 39 -2.192 5.947 4.906 1.00 0.00 N ATOM 567 CA GLU A 39 -1.693 7.114 4.188 1.00 0.00 C ATOM 568 C GLU A 39 -1.088 8.129 5.153 1.00 0.00 C ATOM 569 O GLU A 39 -0.130 8.825 4.818 1.00 0.00 O ATOM 570 CB GLU A 39 -2.821 7.767 3.385 1.00 0.00 C ATOM 571 CG GLU A 39 -2.364 8.944 2.540 1.00 0.00 C ATOM 572 CD GLU A 39 -3.451 9.984 2.351 1.00 0.00 C ATOM 573 OE1 GLU A 39 -3.931 10.529 3.366 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.821 10.251 1.189 1.00 0.00 O ATOM 0 H GLU A 39 -3.069 5.572 4.545 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.914 6.781 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.274 7.018 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.597 8.104 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.499 9.410 3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.040 8.582 1.565 1.00 0.00 H new ATOM 581 N SER A 40 -1.655 8.208 6.353 1.00 0.00 N ATOM 582 CA SER A 40 -1.175 9.140 7.366 1.00 0.00 C ATOM 583 C SER A 40 0.044 8.576 8.090 1.00 0.00 C ATOM 584 O SER A 40 1.030 9.279 8.311 1.00 0.00 O ATOM 585 CB SER A 40 -2.284 9.447 8.373 1.00 0.00 C ATOM 586 OG SER A 40 -1.783 10.182 9.476 1.00 0.00 O ATOM 0 H SER A 40 -2.448 7.637 6.647 1.00 0.00 H new ATOM 0 HA SER A 40 -0.883 10.063 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.076 10.014 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.728 8.516 8.724 1.00 0.00 H new ATOM 0 HG SER A 40 -2.512 10.367 10.104 1.00 0.00 H new ATOM 592 N CYS A 41 -0.032 7.301 8.457 1.00 0.00 N ATOM 593 CA CYS A 41 1.062 6.640 9.157 1.00 0.00 C ATOM 594 C CYS A 41 2.325 6.624 8.300 1.00 0.00 C ATOM 595 O CYS A 41 3.421 6.900 8.787 1.00 0.00 O ATOM 596 CB CYS A 41 0.667 5.210 9.529 1.00 0.00 C ATOM 597 SG CYS A 41 -0.469 5.097 10.948 1.00 0.00 S ATOM 0 H CYS A 41 -0.841 6.705 8.281 1.00 0.00 H new ATOM 0 HA CYS A 41 1.269 7.201 10.068 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.200 4.737 8.665 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.570 4.642 9.754 1.00 0.00 H new ATOM 602 N ALA A 42 2.161 6.300 7.022 1.00 0.00 N ATOM 603 CA ALA A 42 3.287 6.250 6.096 1.00 0.00 C ATOM 604 C ALA A 42 3.976 7.607 5.997 1.00 0.00 C ATOM 605 O ALA A 42 5.201 7.701 6.089 1.00 0.00 O ATOM 606 CB ALA A 42 2.820 5.791 4.723 1.00 0.00 C ATOM 0 H ALA A 42 1.260 6.068 6.604 1.00 0.00 H new ATOM 0 HA ALA A 42 4.011 5.532 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.670 5.758 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.380 4.797 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.075 6.488 4.340 1.00 0.00 H new ATOM 612 N LEU A 43 3.183 8.655 5.808 1.00 0.00 N ATOM 613 CA LEU A 43 3.717 10.008 5.695 1.00 0.00 C ATOM 614 C LEU A 43 4.286 10.482 7.028 1.00 0.00 C ATOM 615 O LEU A 43 5.461 10.833 7.123 1.00 0.00 O ATOM 616 CB LEU A 43 2.626 10.971 5.222 1.00 0.00 C ATOM 617 CG LEU A 43 1.996 10.656 3.864 1.00 0.00 C ATOM 618 CD1 LEU A 43 0.747 11.496 3.648 1.00 0.00 C ATOM 619 CD2 LEU A 43 2.999 10.890 2.744 1.00 0.00 C ATOM 0 H LEU A 43 2.168 8.594 5.730 1.00 0.00 H new ATOM 0 HA LEU A 43 4.523 9.993 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.835 10.989 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.048 11.975 5.180 1.00 0.00 H new ATOM 0 HG LEU A 43 1.708 9.605 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.312 11.259 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.022 11.279 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.010 12.553 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.534 10.661 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.318 11.932 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.865 10.245 2.890 1.00 0.00 H new ATOM 631 N GLU A 44 3.443 10.487 8.057 1.00 0.00 N ATOM 632 CA GLU A 44 3.863 10.917 9.385 1.00 0.00 C ATOM 633 C GLU A 44 5.162 10.228 9.794 1.00 0.00 C ATOM 634 O GLU A 44 6.108 10.877 10.243 1.00 0.00 O ATOM 635 CB GLU A 44 2.769 10.618 10.412 1.00 0.00 C ATOM 636 CG GLU A 44 3.052 11.195 11.789 1.00 0.00 C ATOM 637 CD GLU A 44 2.517 12.604 11.952 1.00 0.00 C ATOM 638 OE1 GLU A 44 2.959 13.498 11.200 1.00 0.00 O ATOM 639 OE2 GLU A 44 1.656 12.813 12.833 1.00 0.00 O ATOM 0 H GLU A 44 2.467 10.198 7.996 1.00 0.00 H new ATOM 0 HA GLU A 44 4.037 11.993 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.822 11.017 10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.648 9.538 10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.606 10.551 12.547 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.128 11.196 11.964 1.00 0.00 H new ATOM 646 N HIS A 45 5.200 8.908 9.637 1.00 0.00 N ATOM 647 CA HIS A 45 6.383 8.130 9.990 1.00 0.00 C ATOM 648 C HIS A 45 7.547 8.459 9.060 1.00 0.00 C ATOM 649 O HIS A 45 8.706 8.450 9.473 1.00 0.00 O ATOM 650 CB HIS A 45 6.072 6.635 9.927 1.00 0.00 C ATOM 651 CG HIS A 45 7.001 5.795 10.749 1.00 0.00 C ATOM 652 ND1 HIS A 45 7.208 6.001 12.097 1.00 0.00 N ATOM 653 CD2 HIS A 45 7.779 4.742 10.407 1.00 0.00 C ATOM 654 CE1 HIS A 45 8.075 5.111 12.547 1.00 0.00 C ATOM 655 NE2 HIS A 45 8.436 4.335 11.542 1.00 0.00 N ATOM 0 H HIS A 45 4.426 8.355 9.268 1.00 0.00 H new ATOM 0 HA HIS A 45 6.670 8.392 11.009 1.00 0.00 H new ATOM 0 HB2 HIS A 45 5.050 6.470 10.267 1.00 0.00 H new ATOM 0 HB3 HIS A 45 6.120 6.306 8.889 1.00 0.00 H new ATOM 0 HD1 HIS A 45 6.762 6.726 12.658 1.00 0.00 H new ATOM 0 HD2 HIS A 45 7.867 4.303 9.424 1.00 0.00 H new ATOM 0 HE1 HIS A 45 8.428 5.032 13.565 1.00 0.00 H new ATOM 663 N PHE A 46 7.230 8.749 7.802 1.00 0.00 N ATOM 664 CA PHE A 46 8.249 9.079 6.813 1.00 0.00 C ATOM 665 C PHE A 46 9.019 10.331 7.223 1.00 0.00 C ATOM 666 O PHE A 46 10.247 10.369 7.147 1.00 0.00 O ATOM 667 CB PHE A 46 7.609 9.287 5.439 1.00 0.00 C ATOM 668 CG PHE A 46 8.491 10.024 4.472 1.00 0.00 C ATOM 669 CD1 PHE A 46 9.641 9.433 3.974 1.00 0.00 C ATOM 670 CD2 PHE A 46 8.170 11.308 4.062 1.00 0.00 C ATOM 671 CE1 PHE A 46 10.455 10.108 3.084 1.00 0.00 C ATOM 672 CE2 PHE A 46 8.980 11.988 3.171 1.00 0.00 C ATOM 673 CZ PHE A 46 10.124 11.388 2.683 1.00 0.00 C ATOM 0 H PHE A 46 6.275 8.762 7.444 1.00 0.00 H new ATOM 0 HA PHE A 46 8.949 8.245 6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.352 8.316 5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.677 9.839 5.561 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.904 8.433 4.285 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.278 11.783 4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.348 9.636 2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.718 12.988 2.857 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.759 11.919 1.989 1.00 0.00 H new ATOM 683 N ARG A 47 8.288 11.352 7.657 1.00 0.00 N ATOM 684 CA ARG A 47 8.902 12.606 8.077 1.00 0.00 C ATOM 685 C ARG A 47 9.993 12.357 9.114 1.00 0.00 C ATOM 686 O ARG A 47 11.146 12.744 8.921 1.00 0.00 O ATOM 687 CB ARG A 47 7.843 13.549 8.652 1.00 0.00 C ATOM 688 CG ARG A 47 6.882 14.095 7.609 1.00 0.00 C ATOM 689 CD ARG A 47 5.623 14.656 8.250 1.00 0.00 C ATOM 690 NE ARG A 47 4.958 15.631 7.390 1.00 0.00 N ATOM 691 CZ ARG A 47 5.447 16.840 7.135 1.00 0.00 C ATOM 692 NH1 ARG A 47 6.599 17.219 7.671 1.00 0.00 N ATOM 693 NH2 ARG A 47 4.783 17.671 6.342 1.00 0.00 N ATOM 0 H ARG A 47 7.271 11.336 7.727 1.00 0.00 H new ATOM 0 HA ARG A 47 9.356 13.070 7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.274 13.020 9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.341 14.383 9.146 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.376 14.876 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.614 13.303 6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.935 13.840 8.472 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.878 15.125 9.200 1.00 0.00 H new ATOM 0 HE ARG A 47 4.070 15.370 6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.112 16.582 8.281 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.972 18.148 7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.897 17.382 5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.159 18.599 6.147 1.00 0.00 H new ATOM 707 N ALA A 48 9.622 11.709 10.213 1.00 0.00 N ATOM 708 CA ALA A 48 10.569 11.407 11.279 1.00 0.00 C ATOM 709 C ALA A 48 11.629 10.418 10.807 1.00 0.00 C ATOM 710 O ALA A 48 12.828 10.677 10.917 1.00 0.00 O ATOM 711 CB ALA A 48 9.837 10.860 12.496 1.00 0.00 C ATOM 0 H ALA A 48 8.672 11.383 10.389 1.00 0.00 H new ATOM 0 HA ALA A 48 11.072 12.333 11.558 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.557 10.639 13.284 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.123 11.601 12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.307 9.948 12.222 1.00 0.00 H new ATOM 717 N THR A 49 11.181 9.282 10.282 1.00 0.00 N ATOM 718 CA THR A 49 12.091 8.253 9.796 1.00 0.00 C ATOM 719 C THR A 49 11.812 7.919 8.335 1.00 0.00 C ATOM 720 O THR A 49 10.727 7.464 7.973 1.00 0.00 O ATOM 721 CB THR A 49 11.983 6.966 10.634 1.00 0.00 C ATOM 722 OG1 THR A 49 12.671 5.895 9.979 1.00 0.00 O ATOM 723 CG2 THR A 49 10.527 6.582 10.852 1.00 0.00 C ATOM 0 H THR A 49 10.192 9.051 10.183 1.00 0.00 H new ATOM 0 HA THR A 49 13.100 8.654 9.889 1.00 0.00 H new ATOM 0 HB THR A 49 12.442 7.152 11.605 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.599 5.081 10.519 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.476 5.670 11.447 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.013 7.387 11.378 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.047 6.414 9.888 1.00 0.00 H new ATOM 731 N PRO A 50 12.814 8.148 7.473 1.00 0.00 N ATOM 732 CA PRO A 50 12.701 7.876 6.037 1.00 0.00 C ATOM 733 C PRO A 50 12.648 6.383 5.731 1.00 0.00 C ATOM 734 O PRO A 50 12.602 5.979 4.569 1.00 0.00 O ATOM 735 CB PRO A 50 13.975 8.496 5.457 1.00 0.00 C ATOM 736 CG PRO A 50 14.948 8.487 6.585 1.00 0.00 C ATOM 737 CD PRO A 50 14.135 8.688 7.834 1.00 0.00 C ATOM 0 HA PRO A 50 11.782 8.284 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.346 7.919 4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.794 9.509 5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.494 7.544 6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.688 9.279 6.469 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.567 8.159 8.684 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.077 9.741 8.110 1.00 0.00 H new ATOM 745 N ARG A 51 12.655 5.569 6.781 1.00 0.00 N ATOM 746 CA ARG A 51 12.609 4.120 6.625 1.00 0.00 C ATOM 747 C ARG A 51 11.240 3.574 7.019 1.00 0.00 C ATOM 748 O ARG A 51 10.374 4.316 7.483 1.00 0.00 O ATOM 749 CB ARG A 51 13.697 3.459 7.473 1.00 0.00 C ATOM 750 CG ARG A 51 15.084 4.039 7.245 1.00 0.00 C ATOM 751 CD ARG A 51 16.171 3.019 7.544 1.00 0.00 C ATOM 752 NE ARG A 51 17.467 3.651 7.774 1.00 0.00 N ATOM 753 CZ ARG A 51 17.842 4.153 8.945 1.00 0.00 C ATOM 754 NH1 ARG A 51 17.025 4.095 9.987 1.00 0.00 N ATOM 755 NH2 ARG A 51 19.038 4.713 9.076 1.00 0.00 N ATOM 0 H ARG A 51 12.692 5.888 7.749 1.00 0.00 H new ATOM 0 HA ARG A 51 12.785 3.887 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.438 3.563 8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.718 2.392 7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.173 4.375 6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.222 4.915 7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.891 2.437 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.251 2.320 6.711 1.00 0.00 H new ATOM 0 HE ARG A 51 18.120 3.710 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.106 3.664 9.891 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.316 4.481 10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.670 4.758 8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 51 19.325 5.098 9.976 1.00 0.00 H new ATOM 769 N CYS A 52 11.051 2.272 6.830 1.00 0.00 N ATOM 770 CA CYS A 52 9.788 1.625 7.165 1.00 0.00 C ATOM 771 C CYS A 52 9.605 1.540 8.677 1.00 0.00 C ATOM 772 O CYS A 52 10.532 1.808 9.442 1.00 0.00 O ATOM 773 CB CYS A 52 9.731 0.224 6.553 1.00 0.00 C ATOM 774 SG CYS A 52 8.060 -0.499 6.507 1.00 0.00 S ATOM 0 H CYS A 52 11.757 1.644 6.446 1.00 0.00 H new ATOM 0 HA CYS A 52 8.979 2.227 6.752 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.125 0.266 5.538 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.386 -0.436 7.122 1.00 0.00 H new ATOM 779 N TYR A 53 8.403 1.166 9.101 1.00 0.00 N ATOM 780 CA TYR A 53 8.096 1.047 10.522 1.00 0.00 C ATOM 781 C TYR A 53 8.191 -0.405 10.980 1.00 0.00 C ATOM 782 O TYR A 53 8.325 -0.683 12.172 1.00 0.00 O ATOM 783 CB TYR A 53 6.697 1.595 10.811 1.00 0.00 C ATOM 784 CG TYR A 53 6.191 1.262 12.196 1.00 0.00 C ATOM 785 CD1 TYR A 53 6.608 1.991 13.303 1.00 0.00 C ATOM 786 CD2 TYR A 53 5.296 0.218 12.398 1.00 0.00 C ATOM 787 CE1 TYR A 53 6.148 1.690 14.571 1.00 0.00 C ATOM 788 CE2 TYR A 53 4.831 -0.089 13.662 1.00 0.00 C ATOM 789 CZ TYR A 53 5.260 0.650 14.745 1.00 0.00 C ATOM 790 OH TYR A 53 4.799 0.346 16.005 1.00 0.00 O ATOM 0 H TYR A 53 7.625 0.940 8.481 1.00 0.00 H new ATOM 0 HA TYR A 53 8.829 1.632 11.077 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.707 2.678 10.688 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.000 1.197 10.073 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.303 2.807 13.170 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.958 -0.363 11.552 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.482 2.266 15.421 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.135 -0.903 13.802 1.00 0.00 H new ATOM 0 HH TYR A 53 4.180 -0.412 15.953 1.00 0.00 H new ATOM 800 N ILE A 54 8.121 -1.326 10.025 1.00 0.00 N ATOM 801 CA ILE A 54 8.201 -2.749 10.329 1.00 0.00 C ATOM 802 C ILE A 54 9.558 -3.321 9.932 1.00 0.00 C ATOM 803 O ILE A 54 10.285 -3.859 10.767 1.00 0.00 O ATOM 804 CB ILE A 54 7.092 -3.541 9.611 1.00 0.00 C ATOM 805 CG1 ILE A 54 5.743 -3.302 10.291 1.00 0.00 C ATOM 806 CG2 ILE A 54 7.428 -5.025 9.594 1.00 0.00 C ATOM 807 CD1 ILE A 54 4.576 -3.916 9.550 1.00 0.00 C ATOM 0 H ILE A 54 8.009 -1.112 9.034 1.00 0.00 H new ATOM 0 HA ILE A 54 8.069 -2.850 11.406 1.00 0.00 H new ATOM 0 HB ILE A 54 7.025 -3.192 8.581 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.777 -3.710 11.301 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.578 -2.229 10.386 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.635 -5.572 9.083 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.371 -5.179 9.069 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.519 -5.389 10.617 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.652 -3.707 10.089 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.516 -3.490 8.549 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.718 -4.994 9.478 1.00 0.00 H new ATOM 819 N CYS A 55 9.893 -3.200 8.652 1.00 0.00 N ATOM 820 CA CYS A 55 11.163 -3.703 8.143 1.00 0.00 C ATOM 821 C CYS A 55 12.226 -2.608 8.154 1.00 0.00 C ATOM 822 O CYS A 55 13.388 -2.853 7.830 1.00 0.00 O ATOM 823 CB CYS A 55 10.988 -4.244 6.722 1.00 0.00 C ATOM 824 SG CYS A 55 10.664 -2.960 5.472 1.00 0.00 S ATOM 0 H CYS A 55 9.302 -2.758 7.948 1.00 0.00 H new ATOM 0 HA CYS A 55 11.493 -4.512 8.795 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.887 -4.792 6.440 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.165 -4.958 6.716 1.00 0.00 H new ATOM 829 N ASP A 56 11.819 -1.400 8.529 1.00 0.00 N ATOM 830 CA ASP A 56 12.735 -0.268 8.585 1.00 0.00 C ATOM 831 C ASP A 56 13.653 -0.251 7.366 1.00 0.00 C ATOM 832 O ASP A 56 14.870 -0.123 7.497 1.00 0.00 O ATOM 833 CB ASP A 56 13.569 -0.321 9.866 1.00 0.00 C ATOM 834 CG ASP A 56 14.550 -1.477 9.871 1.00 0.00 C ATOM 835 OD1 ASP A 56 14.152 -2.592 10.270 1.00 0.00 O ATOM 836 OD2 ASP A 56 15.715 -1.268 9.474 1.00 0.00 O ATOM 0 H ASP A 56 10.860 -1.180 8.799 1.00 0.00 H new ATOM 0 HA ASP A 56 12.143 0.647 8.585 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.115 0.616 9.980 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.904 -0.409 10.725 1.00 0.00 H new ATOM 841 N GLN A 57 13.061 -0.383 6.184 1.00 0.00 N ATOM 842 CA GLN A 57 13.826 -0.385 4.943 1.00 0.00 C ATOM 843 C GLN A 57 13.851 1.005 4.316 1.00 0.00 C ATOM 844 O GLN A 57 12.999 1.851 4.589 1.00 0.00 O ATOM 845 CB GLN A 57 13.234 -1.392 3.955 1.00 0.00 C ATOM 846 CG GLN A 57 13.677 -2.825 4.208 1.00 0.00 C ATOM 847 CD GLN A 57 13.193 -3.783 3.137 1.00 0.00 C ATOM 848 OE1 GLN A 57 12.558 -4.795 3.434 1.00 0.00 O ATOM 849 NE2 GLN A 57 13.491 -3.468 1.882 1.00 0.00 N ATOM 0 H GLN A 57 12.054 -0.490 6.059 1.00 0.00 H new ATOM 0 HA GLN A 57 14.850 -0.676 5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.146 -1.342 4.006 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.519 -1.106 2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.765 -2.861 4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.302 -3.151 5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.019 -2.619 1.681 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.191 -4.075 1.119 1.00 0.00 H new ATOM 858 N PRO A 58 14.850 1.249 3.455 1.00 0.00 N ATOM 859 CA PRO A 58 15.010 2.536 2.772 1.00 0.00 C ATOM 860 C PRO A 58 13.923 2.778 1.730 1.00 0.00 C ATOM 861 O PRO A 58 14.108 2.494 0.546 1.00 0.00 O ATOM 862 CB PRO A 58 16.378 2.412 2.097 1.00 0.00 C ATOM 863 CG PRO A 58 16.579 0.947 1.914 1.00 0.00 C ATOM 864 CD PRO A 58 15.901 0.287 3.083 1.00 0.00 C ATOM 0 HA PRO A 58 14.935 3.376 3.463 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.397 2.937 1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.165 2.845 2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.149 0.609 0.971 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.640 0.699 1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.481 -0.681 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.596 0.113 3.905 1.00 0.00 H new ATOM 872 N THR A 59 12.787 3.304 2.178 1.00 0.00 N ATOM 873 CA THR A 59 11.670 3.584 1.285 1.00 0.00 C ATOM 874 C THR A 59 12.009 4.711 0.316 1.00 0.00 C ATOM 875 O THR A 59 11.657 4.657 -0.862 1.00 0.00 O ATOM 876 CB THR A 59 10.402 3.963 2.073 1.00 0.00 C ATOM 877 OG1 THR A 59 10.669 5.088 2.918 1.00 0.00 O ATOM 878 CG2 THR A 59 9.917 2.793 2.915 1.00 0.00 C ATOM 0 H THR A 59 12.617 3.545 3.154 1.00 0.00 H new ATOM 0 HA THR A 59 11.479 2.670 0.722 1.00 0.00 H new ATOM 0 HB THR A 59 9.621 4.223 1.358 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.366 4.853 3.565 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.021 3.085 3.462 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.687 1.948 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.696 2.506 3.622 1.00 0.00 H new ATOM 886 N GLY A 60 12.695 5.732 0.820 1.00 0.00 N ATOM 887 CA GLY A 60 13.071 6.858 -0.015 1.00 0.00 C ATOM 888 C GLY A 60 11.875 7.682 -0.450 1.00 0.00 C ATOM 889 O GLY A 60 11.821 8.162 -1.581 1.00 0.00 O ATOM 0 H GLY A 60 12.997 5.800 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.768 7.494 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.597 6.493 -0.897 1.00 0.00 H new ATOM 893 N GLY A 61 10.911 7.844 0.451 1.00 0.00 N ATOM 894 CA GLY A 61 9.722 8.614 0.135 1.00 0.00 C ATOM 895 C GLY A 61 8.926 8.010 -1.005 1.00 0.00 C ATOM 896 O GLY A 61 8.433 8.729 -1.875 1.00 0.00 O ATOM 0 H GLY A 61 10.932 7.456 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.090 8.680 1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.011 9.632 -0.127 1.00 0.00 H new ATOM 900 N ILE A 62 8.801 6.688 -1.002 1.00 0.00 N ATOM 901 CA ILE A 62 8.061 5.988 -2.044 1.00 0.00 C ATOM 902 C ILE A 62 6.816 5.314 -1.476 1.00 0.00 C ATOM 903 O ILE A 62 6.888 4.591 -0.482 1.00 0.00 O ATOM 904 CB ILE A 62 8.933 4.926 -2.739 1.00 0.00 C ATOM 905 CG1 ILE A 62 10.170 5.579 -3.361 1.00 0.00 C ATOM 906 CG2 ILE A 62 8.128 4.190 -3.799 1.00 0.00 C ATOM 907 CD1 ILE A 62 11.244 4.588 -3.752 1.00 0.00 C ATOM 0 H ILE A 62 9.203 6.079 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 62 7.764 6.738 -2.777 1.00 0.00 H new ATOM 0 HB ILE A 62 9.262 4.202 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.868 6.143 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.588 6.295 -2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.758 3.443 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.275 3.698 -3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.773 4.901 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 62 12.090 5.121 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 62 11.574 4.041 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.843 3.887 -4.484 1.00 0.00 H new ATOM 919 N PHE A 63 5.676 5.554 -2.114 1.00 0.00 N ATOM 920 CA PHE A 63 4.415 4.970 -1.673 1.00 0.00 C ATOM 921 C PHE A 63 3.440 4.837 -2.840 1.00 0.00 C ATOM 922 O PHE A 63 3.100 5.821 -3.494 1.00 0.00 O ATOM 923 CB PHE A 63 3.791 5.825 -0.568 1.00 0.00 C ATOM 924 CG PHE A 63 4.714 6.072 0.591 1.00 0.00 C ATOM 925 CD1 PHE A 63 4.841 5.135 1.604 1.00 0.00 C ATOM 926 CD2 PHE A 63 5.454 7.241 0.668 1.00 0.00 C ATOM 927 CE1 PHE A 63 5.689 5.361 2.672 1.00 0.00 C ATOM 928 CE2 PHE A 63 6.304 7.471 1.733 1.00 0.00 C ATOM 929 CZ PHE A 63 6.422 6.529 2.736 1.00 0.00 C ATOM 0 H PHE A 63 5.599 6.149 -2.939 1.00 0.00 H new ATOM 0 HA PHE A 63 4.622 3.975 -1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.485 6.783 -0.989 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.888 5.334 -0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.271 4.219 1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.365 7.981 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.778 4.624 3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.875 8.386 1.781 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.086 6.706 3.569 1.00 0.00 H new ATOM 939 N ASN A 64 2.994 3.610 -3.093 1.00 0.00 N ATOM 940 CA ASN A 64 2.060 3.347 -4.181 1.00 0.00 C ATOM 941 C ASN A 64 0.664 3.051 -3.640 1.00 0.00 C ATOM 942 O ASN A 64 0.498 2.456 -2.575 1.00 0.00 O ATOM 943 CB ASN A 64 2.550 2.171 -5.029 1.00 0.00 C ATOM 944 CG ASN A 64 4.000 2.323 -5.445 1.00 0.00 C ATOM 945 OD1 ASN A 64 4.308 2.991 -6.431 1.00 0.00 O ATOM 946 ND2 ASN A 64 4.900 1.700 -4.692 1.00 0.00 N ATOM 0 H ASN A 64 3.264 2.784 -2.560 1.00 0.00 H new ATOM 0 HA ASN A 64 2.007 4.239 -4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.432 1.246 -4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.927 2.084 -5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.891 1.765 -4.923 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.600 1.157 -3.883 1.00 0.00 H new ATOM 953 N PRO A 65 -0.364 3.475 -4.390 1.00 0.00 N ATOM 954 CA PRO A 65 -1.763 3.266 -4.006 1.00 0.00 C ATOM 955 C PRO A 65 -2.176 1.801 -4.094 1.00 0.00 C ATOM 956 O PRO A 65 -2.188 1.214 -5.176 1.00 0.00 O ATOM 957 CB PRO A 65 -2.539 4.103 -5.026 1.00 0.00 C ATOM 958 CG PRO A 65 -1.642 4.182 -6.212 1.00 0.00 C ATOM 959 CD PRO A 65 -0.239 4.191 -5.671 1.00 0.00 C ATOM 0 HA PRO A 65 -1.949 3.551 -2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.490 3.636 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.765 5.095 -4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.798 3.332 -6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.842 5.082 -6.793 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.455 3.690 -6.346 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.131 5.207 -5.530 1.00 0.00 H new ATOM 967 N ALA A 66 -2.514 1.216 -2.950 1.00 0.00 N ATOM 968 CA ALA A 66 -2.929 -0.180 -2.899 1.00 0.00 C ATOM 969 C ALA A 66 -4.449 -0.302 -2.935 1.00 0.00 C ATOM 970 O ALA A 66 -5.036 -1.103 -2.208 1.00 0.00 O ATOM 971 CB ALA A 66 -2.374 -0.851 -1.652 1.00 0.00 C ATOM 0 H ALA A 66 -2.509 1.688 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.528 -0.684 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.692 -1.893 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.285 -0.804 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.746 -0.337 -0.766 1.00 0.00 H new ATOM 977 N LYS A 67 -5.082 0.499 -3.786 1.00 0.00 N ATOM 978 CA LYS A 67 -6.534 0.481 -3.919 1.00 0.00 C ATOM 979 C LYS A 67 -7.040 -0.936 -4.166 1.00 0.00 C ATOM 980 O LYS A 67 -8.068 -1.341 -3.625 1.00 0.00 O ATOM 981 CB LYS A 67 -6.973 1.398 -5.062 1.00 0.00 C ATOM 982 CG LYS A 67 -6.772 2.875 -4.770 1.00 0.00 C ATOM 983 CD LYS A 67 -7.243 3.742 -5.925 1.00 0.00 C ATOM 984 CE LYS A 67 -7.595 5.147 -5.461 1.00 0.00 C ATOM 985 NZ LYS A 67 -6.387 6.010 -5.341 1.00 0.00 N ATOM 0 H LYS A 67 -4.612 1.169 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.964 0.843 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.416 1.135 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.027 1.219 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.317 3.145 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.717 3.068 -4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.463 3.793 -6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.114 3.284 -6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.295 5.597 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.102 5.095 -4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.669 6.959 -5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.730 5.594 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.917 6.081 -6.266 1.00 0.00 H new ATOM 999 N GLU A 68 -6.310 -1.686 -4.987 1.00 0.00 N ATOM 1000 CA GLU A 68 -6.687 -3.058 -5.304 1.00 0.00 C ATOM 1001 C GLU A 68 -6.738 -3.915 -4.042 1.00 0.00 C ATOM 1002 O GLU A 68 -7.700 -4.649 -3.814 1.00 0.00 O ATOM 1003 CB GLU A 68 -5.700 -3.663 -6.305 1.00 0.00 C ATOM 1004 CG GLU A 68 -6.037 -5.089 -6.707 1.00 0.00 C ATOM 1005 CD GLU A 68 -7.483 -5.248 -7.134 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -7.947 -4.442 -7.968 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -8.151 -6.178 -6.636 1.00 0.00 O ATOM 0 H GLU A 68 -5.456 -1.366 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.681 -3.040 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.674 -3.039 -7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.699 -3.643 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.385 -5.396 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.834 -5.756 -5.869 1.00 0.00 H new ATOM 1014 N LEU A 69 -5.695 -3.815 -3.225 1.00 0.00 N ATOM 1015 CA LEU A 69 -5.619 -4.581 -1.985 1.00 0.00 C ATOM 1016 C LEU A 69 -6.909 -4.447 -1.183 1.00 0.00 C ATOM 1017 O LEU A 69 -7.491 -5.443 -0.755 1.00 0.00 O ATOM 1018 CB LEU A 69 -4.431 -4.110 -1.144 1.00 0.00 C ATOM 1019 CG LEU A 69 -4.416 -4.570 0.314 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -3.822 -5.965 0.428 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -3.640 -3.585 1.176 1.00 0.00 C ATOM 0 H LEU A 69 -4.891 -3.212 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.480 -5.631 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.514 -4.454 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.409 -3.020 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.444 -4.605 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.820 -6.275 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.420 -6.664 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.800 -5.957 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.640 -3.928 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.613 -3.517 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.110 -2.603 1.120 1.00 0.00 H new ATOM 1033 N MET A 70 -7.351 -3.209 -0.985 1.00 0.00 N ATOM 1034 CA MET A 70 -8.575 -2.945 -0.236 1.00 0.00 C ATOM 1035 C MET A 70 -9.784 -3.551 -0.941 1.00 0.00 C ATOM 1036 O MET A 70 -10.635 -4.175 -0.308 1.00 0.00 O ATOM 1037 CB MET A 70 -8.775 -1.439 -0.059 1.00 0.00 C ATOM 1038 CG MET A 70 -7.718 -0.784 0.815 1.00 0.00 C ATOM 1039 SD MET A 70 -7.664 -1.479 2.478 1.00 0.00 S ATOM 1040 CE MET A 70 -6.141 -2.418 2.404 1.00 0.00 C ATOM 0 H MET A 70 -6.880 -2.373 -1.332 1.00 0.00 H new ATOM 0 HA MET A 70 -8.478 -3.409 0.746 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.770 -0.963 -1.039 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.758 -1.260 0.378 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.741 -0.899 0.345 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.917 0.286 0.879 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.635 -2.368 3.368 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.366 -3.458 2.166 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.494 -2.001 1.633 1.00 0.00 H new ATOM 1050 N ALA A 71 -9.854 -3.363 -2.255 1.00 0.00 N ATOM 1051 CA ALA A 71 -10.958 -3.893 -3.045 1.00 0.00 C ATOM 1052 C ALA A 71 -11.237 -5.350 -2.692 1.00 0.00 C ATOM 1053 O ALA A 71 -12.389 -5.750 -2.528 1.00 0.00 O ATOM 1054 CB ALA A 71 -10.657 -3.756 -4.530 1.00 0.00 C ATOM 0 H ALA A 71 -9.159 -2.847 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.851 -3.313 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.490 -4.156 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.516 -2.704 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.750 -4.310 -4.770 1.00 0.00 H new ATOM 1060 N LYS A 72 -10.174 -6.139 -2.576 1.00 0.00 N ATOM 1061 CA LYS A 72 -10.303 -7.552 -2.241 1.00 0.00 C ATOM 1062 C LYS A 72 -10.904 -7.730 -0.850 1.00 0.00 C ATOM 1063 O LYS A 72 -11.854 -8.491 -0.665 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.939 -8.241 -2.311 1.00 0.00 C ATOM 1065 CG LYS A 72 -8.521 -8.624 -3.720 1.00 0.00 C ATOM 1066 CD LYS A 72 -7.168 -9.314 -3.733 1.00 0.00 C ATOM 1067 CE LYS A 72 -7.306 -10.815 -3.528 1.00 0.00 C ATOM 1068 NZ LYS A 72 -5.988 -11.467 -3.295 1.00 0.00 N ATOM 0 H LYS A 72 -9.213 -5.823 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.973 -8.011 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.185 -7.579 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.962 -9.138 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.271 -9.284 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.481 -7.731 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.668 -9.120 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.537 -8.895 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.961 -11.007 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.781 -11.259 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.125 -12.489 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.371 -11.306 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.546 -11.062 -2.445 1.00 0.00 H new ATOM 1082 N LEU A 73 -10.344 -7.022 0.125 1.00 0.00 N ATOM 1083 CA LEU A 73 -10.826 -7.099 1.500 1.00 0.00 C ATOM 1084 C LEU A 73 -12.333 -6.871 1.563 1.00 0.00 C ATOM 1085 O LEU A 73 -13.069 -7.680 2.127 1.00 0.00 O ATOM 1086 CB LEU A 73 -10.106 -6.070 2.372 1.00 0.00 C ATOM 1087 CG LEU A 73 -8.630 -6.349 2.662 1.00 0.00 C ATOM 1088 CD1 LEU A 73 -7.975 -5.141 3.311 1.00 0.00 C ATOM 1089 CD2 LEU A 73 -8.485 -7.578 3.547 1.00 0.00 C ATOM 0 H LEU A 73 -9.556 -6.388 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.613 -8.099 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.183 -5.096 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.634 -5.996 3.322 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.124 -6.545 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.926 -5.359 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.047 -4.284 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.482 -4.912 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.429 -7.762 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.006 -7.411 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.916 -8.443 3.043 1.00 0.00 H new ATOM 1101 N GLN A 74 -12.784 -5.766 0.978 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.203 -5.433 0.967 1.00 0.00 C ATOM 1103 C GLN A 74 -14.988 -6.424 0.113 1.00 0.00 C ATOM 1104 O GLN A 74 -14.407 -7.265 -0.573 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.411 -4.012 0.442 1.00 0.00 C ATOM 1106 CG GLN A 74 -14.182 -2.936 1.491 1.00 0.00 C ATOM 1107 CD GLN A 74 -14.593 -1.557 1.012 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -13.793 -0.827 0.427 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -15.846 -1.194 1.258 1.00 0.00 N ATOM 0 H GLN A 74 -12.187 -5.087 0.506 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.572 -5.492 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.735 -3.841 -0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.426 -3.921 0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.744 -3.186 2.391 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.128 -2.921 1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.475 -1.831 1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.180 -0.278 0.959 1.00 0.00 H new ATOM 1118 N LYS A 75 -16.312 -6.319 0.161 1.00 0.00 N ATOM 1119 CA LYS A 75 -17.178 -7.205 -0.608 1.00 0.00 C ATOM 1120 C LYS A 75 -17.598 -6.550 -1.920 1.00 0.00 C ATOM 1121 O LYS A 75 -17.515 -7.161 -2.985 1.00 0.00 O ATOM 1122 CB LYS A 75 -18.417 -7.576 0.209 1.00 0.00 C ATOM 1123 CG LYS A 75 -18.094 -8.235 1.539 1.00 0.00 C ATOM 1124 CD LYS A 75 -17.468 -9.606 1.345 1.00 0.00 C ATOM 1125 CE LYS A 75 -17.595 -10.459 2.597 1.00 0.00 C ATOM 1126 NZ LYS A 75 -16.478 -10.214 3.551 1.00 0.00 N ATOM 0 H LYS A 75 -16.809 -5.629 0.725 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.618 -8.111 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.004 -6.676 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -19.041 -8.249 -0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.413 -7.600 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.005 -8.330 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.950 -10.112 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.415 -9.493 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.545 -10.245 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.610 -11.513 2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.601 -10.814 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.573 -10.442 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.479 -9.214 3.837 1.00 0.00 H new ATOM 1140 N SER A 76 -18.050 -5.302 -1.835 1.00 0.00 N ATOM 1141 CA SER A 76 -18.485 -4.565 -3.016 1.00 0.00 C ATOM 1142 C SER A 76 -17.438 -3.537 -3.431 1.00 0.00 C ATOM 1143 O SER A 76 -16.910 -3.586 -4.542 1.00 0.00 O ATOM 1144 CB SER A 76 -19.820 -3.869 -2.744 1.00 0.00 C ATOM 1145 OG SER A 76 -20.192 -3.038 -3.830 1.00 0.00 O ATOM 0 H SER A 76 -18.124 -4.781 -0.961 1.00 0.00 H new ATOM 0 HA SER A 76 -18.613 -5.276 -3.832 1.00 0.00 H new ATOM 0 HB2 SER A 76 -20.595 -4.616 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 76 -19.744 -3.273 -1.835 1.00 0.00 H new ATOM 0 HG SER A 76 -21.049 -2.606 -3.633 1.00 0.00 H new ATOM 1151 N GLY A 77 -17.141 -2.605 -2.530 1.00 0.00 N ATOM 1152 CA GLY A 77 -16.159 -1.578 -2.821 1.00 0.00 C ATOM 1153 C GLY A 77 -16.434 -0.285 -2.079 1.00 0.00 C ATOM 1154 O GLY A 77 -17.365 -0.190 -1.278 1.00 0.00 O ATOM 0 H GLY A 77 -17.563 -2.543 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.167 -1.942 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.149 -1.383 -3.893 1.00 0.00 H new ATOM 1158 N PRO A 78 -15.611 0.740 -2.343 1.00 0.00 N ATOM 1159 CA PRO A 78 -15.751 2.052 -1.704 1.00 0.00 C ATOM 1160 C PRO A 78 -16.992 2.799 -2.178 1.00 0.00 C ATOM 1161 O PRO A 78 -17.301 2.816 -3.369 1.00 0.00 O ATOM 1162 CB PRO A 78 -14.483 2.794 -2.135 1.00 0.00 C ATOM 1163 CG PRO A 78 -14.079 2.142 -3.413 1.00 0.00 C ATOM 1164 CD PRO A 78 -14.481 0.699 -3.286 1.00 0.00 C ATOM 0 HA PRO A 78 -15.866 1.968 -0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.675 3.858 -2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.699 2.709 -1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.573 2.611 -4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.005 2.235 -3.576 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -14.775 0.278 -4.247 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.663 0.086 -2.907 1.00 0.00 H new ATOM 1172 N SER A 79 -17.701 3.417 -1.238 1.00 0.00 N ATOM 1173 CA SER A 79 -18.911 4.164 -1.560 1.00 0.00 C ATOM 1174 C SER A 79 -18.580 5.412 -2.372 1.00 0.00 C ATOM 1175 O SER A 79 -17.574 6.078 -2.126 1.00 0.00 O ATOM 1176 CB SER A 79 -19.649 4.557 -0.279 1.00 0.00 C ATOM 1177 OG SER A 79 -20.721 5.441 -0.558 1.00 0.00 O ATOM 0 H SER A 79 -17.458 3.415 -0.247 1.00 0.00 H new ATOM 0 HA SER A 79 -19.555 3.522 -2.160 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.030 3.663 0.214 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.954 5.031 0.414 1.00 0.00 H new ATOM 0 HG SER A 79 -21.177 5.676 0.277 1.00 0.00 H new ATOM 1183 N SER A 80 -19.433 5.723 -3.343 1.00 0.00 N ATOM 1184 CA SER A 80 -19.230 6.889 -4.195 1.00 0.00 C ATOM 1185 C SER A 80 -20.497 7.215 -4.980 1.00 0.00 C ATOM 1186 O SER A 80 -21.352 6.355 -5.186 1.00 0.00 O ATOM 1187 CB SER A 80 -18.068 6.646 -5.159 1.00 0.00 C ATOM 1188 OG SER A 80 -17.519 7.870 -5.615 1.00 0.00 O ATOM 0 H SER A 80 -20.271 5.184 -3.559 1.00 0.00 H new ATOM 0 HA SER A 80 -18.991 7.739 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.295 6.060 -4.661 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.414 6.060 -6.010 1.00 0.00 H new ATOM 0 HG SER A 80 -16.777 7.687 -6.228 1.00 0.00 H new ATOM 1194 N GLY A 81 -20.610 8.466 -5.415 1.00 0.00 N ATOM 1195 CA GLY A 81 -21.775 8.886 -6.172 1.00 0.00 C ATOM 1196 C GLY A 81 -23.076 8.517 -5.487 1.00 0.00 C ATOM 1197 O GLY A 81 -23.372 9.068 -4.428 1.00 0.00 O ATOM 0 H GLY A 81 -19.916 9.196 -5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -21.739 9.965 -6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -21.746 8.428 -7.161 1.00 0.00 H new TER 1201 GLY A 81 HETATM 1202 ZN ZN A 201 -2.024 3.402 10.900 1.00 0.00 ZN HETATM 1203 ZN ZN A 401 8.375 -2.427 5.240 1.00 0.00 ZN