USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 592 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 43 ASN : amide:sc= 0.312 X(o=0.35,f=-0.15) USER MOD Set 1.2: A 77 HIS : no HD1:sc= 0.037 X(o=0.35,f=-0.15) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= 0.542 (180deg=-0.724) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= 1.23 F(o=-0.21,f=1.2) USER MOD Single : A 50 CYS SG : rot 84:sc= 0.339 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 163:sc= -0.538 (180deg=-1.07) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 17:sc= -3.19! USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -29:sc= -0.766 USER MOD Single : A 68 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.052) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 71 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.4) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN :FLIP amide:sc= -6.02! C(o=-12!,f=-6!) USER MOD Single : A 87 MET CE :methyl -171:sc= 0 (180deg=-0.0459) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -19.822 -3.543 -24.426 1.00 0.00 N ATOM 2 CA ASP A 16 -19.378 -4.865 -24.929 1.00 0.00 C ATOM 3 C ASP A 16 -18.557 -5.599 -23.876 1.00 0.00 C ATOM 4 O ASP A 16 -18.787 -6.761 -23.608 1.00 0.00 O ATOM 5 CB ASP A 16 -18.503 -4.642 -26.173 1.00 0.00 C ATOM 6 CG ASP A 16 -17.253 -3.851 -25.781 1.00 0.00 C ATOM 7 OD1 ASP A 16 -17.421 -2.923 -25.007 1.00 0.00 O ATOM 8 OD2 ASP A 16 -16.202 -4.220 -26.276 1.00 0.00 O ATOM 0 HA ASP A 16 -20.255 -5.467 -25.169 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.219 -5.600 -26.608 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.065 -4.101 -26.934 1.00 0.00 H new ATOM 13 N ARG A 17 -17.612 -4.902 -23.297 1.00 0.00 N ATOM 14 CA ARG A 17 -16.761 -5.538 -22.256 1.00 0.00 C ATOM 15 C ARG A 17 -17.230 -5.148 -20.858 1.00 0.00 C ATOM 16 O ARG A 17 -17.897 -4.148 -20.684 1.00 0.00 O ATOM 17 CB ARG A 17 -15.318 -5.046 -22.449 1.00 0.00 C ATOM 18 CG ARG A 17 -15.320 -3.520 -22.575 1.00 0.00 C ATOM 19 CD ARG A 17 -13.948 -2.980 -22.165 1.00 0.00 C ATOM 20 NE ARG A 17 -12.963 -3.295 -23.238 1.00 0.00 N ATOM 21 CZ ARG A 17 -11.739 -3.603 -22.910 1.00 0.00 C ATOM 22 NH1 ARG A 17 -11.527 -4.672 -22.193 1.00 0.00 N ATOM 23 NH2 ARG A 17 -10.766 -2.829 -23.307 1.00 0.00 N ATOM 0 H ARG A 17 -17.397 -3.926 -23.501 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.825 -6.622 -22.354 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.700 -5.353 -21.605 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -14.884 -5.496 -23.342 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.548 -3.228 -23.600 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.097 -3.092 -21.942 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.000 -1.903 -22.005 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.634 -3.427 -21.222 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.243 -3.270 -24.218 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.312 -5.252 -21.898 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.576 -4.928 -21.928 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.969 -1.999 -23.864 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.802 -3.054 -23.060 1.00 0.00 H new ATOM 37 N SER A 18 -16.871 -5.958 -19.887 1.00 0.00 N ATOM 38 CA SER A 18 -17.279 -5.667 -18.481 1.00 0.00 C ATOM 39 C SER A 18 -16.068 -5.691 -17.552 1.00 0.00 C ATOM 40 O SER A 18 -15.328 -6.655 -17.520 1.00 0.00 O ATOM 41 CB SER A 18 -18.267 -6.757 -18.035 1.00 0.00 C ATOM 42 OG SER A 18 -18.946 -6.183 -16.928 1.00 0.00 O ATOM 0 H SER A 18 -16.315 -6.804 -20.011 1.00 0.00 H new ATOM 0 HA SER A 18 -17.735 -4.678 -18.435 1.00 0.00 H new ATOM 0 HB2 SER A 18 -18.960 -7.017 -18.835 1.00 0.00 H new ATOM 0 HB3 SER A 18 -17.748 -7.673 -17.752 1.00 0.00 H new ATOM 0 HG SER A 18 -19.604 -6.821 -16.581 1.00 0.00 H new ATOM 48 N LEU A 19 -15.887 -4.630 -16.809 1.00 0.00 N ATOM 49 CA LEU A 19 -14.728 -4.579 -15.879 1.00 0.00 C ATOM 50 C LEU A 19 -15.052 -3.748 -14.642 1.00 0.00 C ATOM 51 O LEU A 19 -16.122 -3.178 -14.540 1.00 0.00 O ATOM 52 CB LEU A 19 -13.546 -3.925 -16.616 1.00 0.00 C ATOM 53 CG LEU A 19 -13.880 -2.459 -16.908 1.00 0.00 C ATOM 54 CD1 LEU A 19 -12.678 -1.796 -17.579 1.00 0.00 C ATOM 55 CD2 LEU A 19 -15.084 -2.394 -17.850 1.00 0.00 C ATOM 0 H LEU A 19 -16.487 -3.805 -16.808 1.00 0.00 H new ATOM 0 HA LEU A 19 -14.485 -5.593 -15.561 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.643 -3.990 -16.009 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.344 -4.456 -17.546 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.115 -1.942 -15.978 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.909 -0.752 -17.790 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.815 -1.850 -16.915 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.451 -2.313 -18.512 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -15.325 -1.352 -18.061 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.845 -2.907 -18.782 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.941 -2.877 -17.380 1.00 0.00 H new ATOM 67 N ARG A 20 -14.111 -3.698 -13.725 1.00 0.00 N ATOM 68 CA ARG A 20 -14.322 -2.914 -12.478 1.00 0.00 C ATOM 69 C ARG A 20 -13.339 -1.723 -12.420 1.00 0.00 C ATOM 70 O ARG A 20 -12.141 -1.919 -12.356 1.00 0.00 O ATOM 71 CB ARG A 20 -14.035 -3.842 -11.284 1.00 0.00 C ATOM 72 CG ARG A 20 -15.335 -4.085 -10.512 1.00 0.00 C ATOM 73 CD ARG A 20 -16.318 -4.850 -11.404 1.00 0.00 C ATOM 74 NE ARG A 20 -15.574 -5.897 -12.159 1.00 0.00 N ATOM 75 CZ ARG A 20 -16.117 -6.426 -13.221 1.00 0.00 C ATOM 76 NH1 ARG A 20 -17.319 -6.056 -13.567 1.00 0.00 N ATOM 77 NH2 ARG A 20 -15.439 -7.311 -13.902 1.00 0.00 N ATOM 0 H ARG A 20 -13.209 -4.169 -13.793 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.343 -2.534 -12.452 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.624 -4.789 -11.634 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.288 -3.392 -10.630 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.132 -4.653 -9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.771 -3.135 -10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.100 -5.307 -10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.810 -4.166 -12.095 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.650 -6.197 -11.849 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.819 -5.363 -13.010 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.758 -6.459 -14.394 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.502 -7.578 -13.601 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.847 -7.735 -14.735 1.00 0.00 H new ATOM 91 N PRO A 21 -13.863 -0.497 -12.445 1.00 0.00 N ATOM 92 CA PRO A 21 -13.010 0.691 -12.397 1.00 0.00 C ATOM 93 C PRO A 21 -12.206 0.762 -11.100 1.00 0.00 C ATOM 94 O PRO A 21 -11.027 1.052 -11.117 1.00 0.00 O ATOM 95 CB PRO A 21 -13.986 1.885 -12.463 1.00 0.00 C ATOM 96 CG PRO A 21 -15.428 1.304 -12.564 1.00 0.00 C ATOM 97 CD PRO A 21 -15.309 -0.226 -12.520 1.00 0.00 C ATOM 0 HA PRO A 21 -12.285 0.682 -13.211 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.886 2.512 -11.577 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.765 2.514 -13.325 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.046 1.665 -11.742 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.908 1.626 -13.488 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -15.832 -0.637 -11.657 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -15.750 -0.681 -13.407 1.00 0.00 H new ATOM 105 N GLU A 22 -12.860 0.497 -10.003 1.00 0.00 N ATOM 106 CA GLU A 22 -12.151 0.545 -8.697 1.00 0.00 C ATOM 107 C GLU A 22 -10.771 -0.089 -8.790 1.00 0.00 C ATOM 108 O GLU A 22 -9.882 0.245 -8.033 1.00 0.00 O ATOM 109 CB GLU A 22 -12.984 -0.230 -7.664 1.00 0.00 C ATOM 110 CG GLU A 22 -13.557 -1.485 -8.324 1.00 0.00 C ATOM 111 CD GLU A 22 -13.626 -2.612 -7.291 1.00 0.00 C ATOM 112 OE1 GLU A 22 -14.231 -2.365 -6.261 1.00 0.00 O ATOM 113 OE2 GLU A 22 -13.069 -3.654 -7.590 1.00 0.00 O ATOM 0 H GLU A 22 -13.849 0.251 -9.956 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.029 1.588 -8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.364 -0.504 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.791 0.397 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.551 -1.279 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.932 -1.785 -9.165 1.00 0.00 H new ATOM 120 N GLU A 23 -10.612 -0.994 -9.712 1.00 0.00 N ATOM 121 CA GLU A 23 -9.292 -1.649 -9.855 1.00 0.00 C ATOM 122 C GLU A 23 -8.267 -0.670 -10.395 1.00 0.00 C ATOM 123 O GLU A 23 -7.293 -0.360 -9.736 1.00 0.00 O ATOM 124 CB GLU A 23 -9.432 -2.817 -10.843 1.00 0.00 C ATOM 125 CG GLU A 23 -10.257 -3.929 -10.192 1.00 0.00 C ATOM 126 CD GLU A 23 -9.520 -4.453 -8.958 1.00 0.00 C ATOM 127 OE1 GLU A 23 -8.304 -4.498 -9.034 1.00 0.00 O ATOM 128 OE2 GLU A 23 -10.215 -4.778 -8.010 1.00 0.00 O ATOM 0 H GLU A 23 -11.332 -1.304 -10.365 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.960 -2.003 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.915 -2.478 -11.759 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.448 -3.193 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.239 -3.550 -9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.421 -4.739 -10.903 1.00 0.00 H new ATOM 135 N ILE A 24 -8.499 -0.191 -11.584 1.00 0.00 N ATOM 136 CA ILE A 24 -7.541 0.769 -12.173 1.00 0.00 C ATOM 137 C ILE A 24 -7.366 1.969 -11.262 1.00 0.00 C ATOM 138 O ILE A 24 -6.308 2.566 -11.217 1.00 0.00 O ATOM 139 CB ILE A 24 -8.089 1.247 -13.515 1.00 0.00 C ATOM 140 CG1 ILE A 24 -8.343 0.050 -14.420 1.00 0.00 C ATOM 141 CG2 ILE A 24 -7.037 2.153 -14.178 1.00 0.00 C ATOM 142 CD1 ILE A 24 -7.054 -0.770 -14.542 1.00 0.00 C ATOM 0 H ILE A 24 -9.304 -0.423 -12.165 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.577 0.277 -12.302 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.021 1.790 -13.359 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.144 -0.567 -14.012 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.670 0.386 -15.404 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.413 2.504 -15.139 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.835 3.008 -13.533 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.117 1.590 -14.332 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.229 -1.629 -15.189 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.267 -0.149 -14.969 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.748 -1.116 -13.555 1.00 0.00 H new ATOM 154 N GLU A 25 -8.406 2.306 -10.548 1.00 0.00 N ATOM 155 CA GLU A 25 -8.308 3.467 -9.637 1.00 0.00 C ATOM 156 C GLU A 25 -7.325 3.179 -8.518 1.00 0.00 C ATOM 157 O GLU A 25 -6.488 3.999 -8.197 1.00 0.00 O ATOM 158 CB GLU A 25 -9.694 3.724 -9.021 1.00 0.00 C ATOM 159 CG GLU A 25 -9.905 5.231 -8.873 1.00 0.00 C ATOM 160 CD GLU A 25 -9.006 5.759 -7.754 1.00 0.00 C ATOM 161 OE1 GLU A 25 -8.904 5.053 -6.764 1.00 0.00 O ATOM 162 OE2 GLU A 25 -8.473 6.838 -7.952 1.00 0.00 O ATOM 0 H GLU A 25 -9.308 1.829 -10.560 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.965 4.336 -10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.472 3.296 -9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.770 3.237 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.673 5.736 -9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.950 5.443 -8.647 1.00 0.00 H new ATOM 169 N GLU A 26 -7.437 2.015 -7.942 1.00 0.00 N ATOM 170 CA GLU A 26 -6.513 1.664 -6.844 1.00 0.00 C ATOM 171 C GLU A 26 -5.072 1.798 -7.302 1.00 0.00 C ATOM 172 O GLU A 26 -4.241 2.337 -6.596 1.00 0.00 O ATOM 173 CB GLU A 26 -6.779 0.207 -6.430 1.00 0.00 C ATOM 174 CG GLU A 26 -5.833 -0.174 -5.288 1.00 0.00 C ATOM 175 CD GLU A 26 -6.355 -1.437 -4.596 1.00 0.00 C ATOM 176 OE1 GLU A 26 -7.259 -1.280 -3.793 1.00 0.00 O ATOM 177 OE2 GLU A 26 -5.818 -2.486 -4.910 1.00 0.00 O ATOM 0 H GLU A 26 -8.124 1.301 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.677 2.338 -6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.815 0.090 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.628 -0.458 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.829 -0.347 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.762 0.644 -4.571 1.00 0.00 H new ATOM 184 N LEU A 27 -4.793 1.309 -8.479 1.00 0.00 N ATOM 185 CA LEU A 27 -3.408 1.408 -8.989 1.00 0.00 C ATOM 186 C LEU A 27 -2.994 2.861 -9.071 1.00 0.00 C ATOM 187 O LEU A 27 -1.997 3.263 -8.504 1.00 0.00 O ATOM 188 CB LEU A 27 -3.358 0.808 -10.400 1.00 0.00 C ATOM 189 CG LEU A 27 -3.133 -0.699 -10.301 1.00 0.00 C ATOM 190 CD1 LEU A 27 -3.631 -1.357 -11.589 1.00 0.00 C ATOM 191 CD2 LEU A 27 -1.633 -0.973 -10.138 1.00 0.00 C ATOM 0 H LEU A 27 -5.460 0.851 -9.100 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.736 0.872 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.289 1.014 -10.928 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.556 1.270 -10.976 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.673 -1.103 -9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.476 -2.434 -11.531 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.694 -1.150 -11.716 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.079 -0.956 -12.439 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.465 -2.048 -10.067 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.095 -0.578 -11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.271 -0.488 -9.231 1.00 0.00 H new ATOM 203 N ARG A 28 -3.775 3.629 -9.778 1.00 0.00 N ATOM 204 CA ARG A 28 -3.447 5.063 -9.912 1.00 0.00 C ATOM 205 C ARG A 28 -3.126 5.657 -8.554 1.00 0.00 C ATOM 206 O ARG A 28 -2.118 6.315 -8.385 1.00 0.00 O ATOM 207 CB ARG A 28 -4.664 5.792 -10.502 1.00 0.00 C ATOM 208 CG ARG A 28 -4.232 7.177 -10.983 1.00 0.00 C ATOM 209 CD ARG A 28 -5.363 7.795 -11.813 1.00 0.00 C ATOM 210 NE ARG A 28 -5.891 6.769 -12.762 1.00 0.00 N ATOM 211 CZ ARG A 28 -7.102 6.898 -13.238 1.00 0.00 C ATOM 212 NH1 ARG A 28 -8.078 7.172 -12.415 1.00 0.00 N ATOM 213 NH2 ARG A 28 -7.298 6.749 -14.520 1.00 0.00 N ATOM 0 H ARG A 28 -4.619 3.323 -10.263 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.580 5.176 -10.563 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.080 5.219 -11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.449 5.883 -9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.999 7.815 -10.131 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.324 7.101 -11.582 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.160 8.147 -11.158 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.996 8.662 -12.363 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.312 5.975 -13.036 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.889 7.282 -11.419 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.029 7.276 -12.768 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.513 6.535 -15.135 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.237 6.846 -14.907 1.00 0.00 H new ATOM 227 N GLU A 29 -3.991 5.419 -7.605 1.00 0.00 N ATOM 228 CA GLU A 29 -3.742 5.968 -6.255 1.00 0.00 C ATOM 229 C GLU A 29 -2.501 5.331 -5.670 1.00 0.00 C ATOM 230 O GLU A 29 -1.731 5.971 -4.984 1.00 0.00 O ATOM 231 CB GLU A 29 -4.941 5.630 -5.359 1.00 0.00 C ATOM 232 CG GLU A 29 -5.933 6.794 -5.387 1.00 0.00 C ATOM 233 CD GLU A 29 -7.099 6.486 -4.447 1.00 0.00 C ATOM 234 OE1 GLU A 29 -6.981 5.496 -3.744 1.00 0.00 O ATOM 235 OE2 GLU A 29 -8.043 7.259 -4.482 1.00 0.00 O ATOM 0 H GLU A 29 -4.847 4.874 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.604 7.048 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.424 4.717 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.607 5.446 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.438 7.716 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.300 6.950 -6.401 1.00 0.00 H new ATOM 242 N ALA A 30 -2.333 4.072 -5.951 1.00 0.00 N ATOM 243 CA ALA A 30 -1.150 3.369 -5.424 1.00 0.00 C ATOM 244 C ALA A 30 0.115 3.925 -6.057 1.00 0.00 C ATOM 245 O ALA A 30 1.036 4.309 -5.367 1.00 0.00 O ATOM 246 CB ALA A 30 -1.272 1.881 -5.779 1.00 0.00 C ATOM 0 H ALA A 30 -2.963 3.507 -6.520 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.096 3.505 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.404 1.343 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.178 1.473 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.320 1.768 -6.862 1.00 0.00 H new ATOM 252 N PHE A 31 0.135 3.972 -7.365 1.00 0.00 N ATOM 253 CA PHE A 31 1.336 4.502 -8.049 1.00 0.00 C ATOM 254 C PHE A 31 1.657 5.885 -7.538 1.00 0.00 C ATOM 255 O PHE A 31 2.785 6.323 -7.577 1.00 0.00 O ATOM 256 CB PHE A 31 1.035 4.608 -9.550 1.00 0.00 C ATOM 257 CG PHE A 31 2.314 4.995 -10.293 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.778 6.299 -10.276 1.00 0.00 C ATOM 259 CD2 PHE A 31 3.031 4.040 -10.979 1.00 0.00 C ATOM 260 CE1 PHE A 31 3.944 6.632 -10.937 1.00 0.00 C ATOM 261 CE2 PHE A 31 4.190 4.372 -11.638 1.00 0.00 C ATOM 262 CZ PHE A 31 4.649 5.664 -11.618 1.00 0.00 C ATOM 0 H PHE A 31 -0.623 3.668 -7.977 1.00 0.00 H new ATOM 0 HA PHE A 31 2.179 3.837 -7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.656 3.657 -9.925 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.259 5.353 -9.726 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.226 7.059 -9.744 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.679 3.019 -10.999 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.303 7.651 -10.920 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.741 3.613 -12.173 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.561 5.922 -12.135 1.00 0.00 H new ATOM 272 N ARG A 32 0.655 6.543 -7.062 1.00 0.00 N ATOM 273 CA ARG A 32 0.868 7.919 -6.536 1.00 0.00 C ATOM 274 C ARG A 32 1.225 7.913 -5.060 1.00 0.00 C ATOM 275 O ARG A 32 2.262 8.416 -4.675 1.00 0.00 O ATOM 276 CB ARG A 32 -0.419 8.707 -6.717 1.00 0.00 C ATOM 277 CG ARG A 32 -0.074 10.142 -7.118 1.00 0.00 C ATOM 278 CD ARG A 32 0.235 10.183 -8.616 1.00 0.00 C ATOM 279 NE ARG A 32 -0.980 10.633 -9.348 1.00 0.00 N ATOM 280 CZ ARG A 32 -1.914 9.767 -9.630 1.00 0.00 C ATOM 281 NH1 ARG A 32 -1.640 8.788 -10.449 1.00 0.00 N ATOM 282 NH2 ARG A 32 -3.091 9.908 -9.083 1.00 0.00 N ATOM 0 H ARG A 32 -0.303 6.197 -7.010 1.00 0.00 H new ATOM 0 HA ARG A 32 1.696 8.369 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.041 8.242 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.996 8.703 -5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.906 10.807 -6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.785 10.496 -6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.065 10.862 -8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.541 9.197 -8.965 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.082 11.609 -9.627 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.708 8.710 -10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.358 8.101 -10.681 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.268 10.686 -8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.834 9.241 -9.292 1.00 0.00 H new ATOM 296 N GLU A 33 0.355 7.364 -4.253 1.00 0.00 N ATOM 297 CA GLU A 33 0.648 7.329 -2.804 1.00 0.00 C ATOM 298 C GLU A 33 2.076 6.882 -2.586 1.00 0.00 C ATOM 299 O GLU A 33 2.635 7.066 -1.521 1.00 0.00 O ATOM 300 CB GLU A 33 -0.298 6.327 -2.136 1.00 0.00 C ATOM 301 CG GLU A 33 -1.735 6.811 -2.315 1.00 0.00 C ATOM 302 CD GLU A 33 -2.181 7.555 -1.054 1.00 0.00 C ATOM 303 OE1 GLU A 33 -1.473 8.483 -0.692 1.00 0.00 O ATOM 304 OE2 GLU A 33 -3.204 7.156 -0.522 1.00 0.00 O ATOM 0 H GLU A 33 -0.531 6.946 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 33 0.510 8.322 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.175 5.339 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.061 6.233 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.804 7.468 -3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.395 5.964 -2.504 1.00 0.00 H new ATOM 311 N PHE A 34 2.638 6.296 -3.613 1.00 0.00 N ATOM 312 CA PHE A 34 4.031 5.816 -3.525 1.00 0.00 C ATOM 313 C PHE A 34 4.965 6.706 -4.340 1.00 0.00 C ATOM 314 O PHE A 34 6.139 6.799 -4.044 1.00 0.00 O ATOM 315 CB PHE A 34 4.088 4.395 -4.094 1.00 0.00 C ATOM 316 CG PHE A 34 3.863 3.393 -2.964 1.00 0.00 C ATOM 317 CD1 PHE A 34 2.901 3.626 -1.998 1.00 0.00 C ATOM 318 CD2 PHE A 34 4.625 2.245 -2.887 1.00 0.00 C ATOM 319 CE1 PHE A 34 2.706 2.723 -0.974 1.00 0.00 C ATOM 320 CE2 PHE A 34 4.426 1.347 -1.864 1.00 0.00 C ATOM 321 CZ PHE A 34 3.470 1.584 -0.909 1.00 0.00 C ATOM 0 H PHE A 34 2.181 6.133 -4.510 1.00 0.00 H new ATOM 0 HA PHE A 34 4.349 5.837 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.328 4.268 -4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.054 4.218 -4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.298 4.521 -2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.381 2.051 -3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.953 2.912 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.026 0.450 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.319 0.876 -0.108 1.00 0.00 H new ATOM 331 N ASP A 35 4.428 7.353 -5.357 1.00 0.00 N ATOM 332 CA ASP A 35 5.295 8.237 -6.190 1.00 0.00 C ATOM 333 C ASP A 35 5.210 9.681 -5.715 1.00 0.00 C ATOM 334 O ASP A 35 4.917 10.574 -6.484 1.00 0.00 O ATOM 335 CB ASP A 35 4.821 8.165 -7.651 1.00 0.00 C ATOM 336 CG ASP A 35 5.668 9.112 -8.508 1.00 0.00 C ATOM 337 OD1 ASP A 35 6.860 8.859 -8.578 1.00 0.00 O ATOM 338 OD2 ASP A 35 5.075 10.033 -9.046 1.00 0.00 O ATOM 0 H ASP A 35 3.448 7.305 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 35 6.328 7.899 -6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.908 7.144 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.768 8.440 -7.717 1.00 0.00 H new ATOM 343 N LYS A 36 5.465 9.885 -4.451 1.00 0.00 N ATOM 344 CA LYS A 36 5.403 11.262 -3.915 1.00 0.00 C ATOM 345 C LYS A 36 6.678 12.021 -4.258 1.00 0.00 C ATOM 346 O LYS A 36 6.908 13.109 -3.769 1.00 0.00 O ATOM 347 CB LYS A 36 5.256 11.187 -2.384 1.00 0.00 C ATOM 348 CG LYS A 36 6.505 10.537 -1.784 1.00 0.00 C ATOM 349 CD LYS A 36 6.369 10.521 -0.257 1.00 0.00 C ATOM 350 CE LYS A 36 7.681 10.037 0.364 1.00 0.00 C ATOM 351 NZ LYS A 36 8.368 11.156 1.068 1.00 0.00 N ATOM 0 H LYS A 36 5.711 9.161 -3.776 1.00 0.00 H new ATOM 0 HA LYS A 36 4.554 11.784 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.119 12.187 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.370 10.609 -2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.621 9.522 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.397 11.091 -2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.127 11.519 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.550 9.866 0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.481 9.226 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.331 9.634 -0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.257 10.811 1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.575 11.917 0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.752 11.522 1.822 1.00 0.00 H new ATOM 365 N ASP A 37 7.484 11.424 -5.097 1.00 0.00 N ATOM 366 CA ASP A 37 8.753 12.084 -5.494 1.00 0.00 C ATOM 367 C ASP A 37 8.589 12.806 -6.826 1.00 0.00 C ATOM 368 O ASP A 37 9.489 13.479 -7.287 1.00 0.00 O ATOM 369 CB ASP A 37 9.833 11.000 -5.651 1.00 0.00 C ATOM 370 CG ASP A 37 9.436 9.765 -4.840 1.00 0.00 C ATOM 371 OD1 ASP A 37 9.543 9.856 -3.627 1.00 0.00 O ATOM 372 OD2 ASP A 37 9.051 8.799 -5.477 1.00 0.00 O ATOM 0 H ASP A 37 7.315 10.512 -5.521 1.00 0.00 H new ATOM 0 HA ASP A 37 9.033 12.811 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.949 10.736 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.796 11.379 -5.309 1.00 0.00 H new ATOM 377 N LYS A 38 7.436 12.651 -7.422 1.00 0.00 N ATOM 378 CA LYS A 38 7.183 13.317 -8.725 1.00 0.00 C ATOM 379 C LYS A 38 8.304 13.029 -9.721 1.00 0.00 C ATOM 380 O LYS A 38 8.921 13.939 -10.239 1.00 0.00 O ATOM 381 CB LYS A 38 7.109 14.836 -8.488 1.00 0.00 C ATOM 382 CG LYS A 38 5.879 15.153 -7.636 1.00 0.00 C ATOM 383 CD LYS A 38 6.269 15.111 -6.157 1.00 0.00 C ATOM 384 CE LYS A 38 5.062 15.515 -5.306 1.00 0.00 C ATOM 385 NZ LYS A 38 4.811 14.501 -4.244 1.00 0.00 N ATOM 0 H LYS A 38 6.663 12.093 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 38 6.249 12.936 -9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.013 15.182 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.052 15.362 -9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.487 16.137 -7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.087 14.432 -7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.602 14.109 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.104 15.786 -5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.239 16.490 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.180 15.614 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.252 14.930 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.287 13.699 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.719 14.165 -3.863 1.00 0.00 H new ATOM 399 N ASP A 39 8.542 11.758 -9.973 1.00 0.00 N ATOM 400 CA ASP A 39 9.618 11.377 -10.932 1.00 0.00 C ATOM 401 C ASP A 39 9.017 10.782 -12.197 1.00 0.00 C ATOM 402 O ASP A 39 9.677 10.671 -13.210 1.00 0.00 O ATOM 403 CB ASP A 39 10.509 10.316 -10.264 1.00 0.00 C ATOM 404 CG ASP A 39 9.626 9.288 -9.557 1.00 0.00 C ATOM 405 OD1 ASP A 39 8.714 8.813 -10.213 1.00 0.00 O ATOM 406 OD2 ASP A 39 9.913 9.034 -8.398 1.00 0.00 O ATOM 0 H ASP A 39 8.037 10.977 -9.555 1.00 0.00 H new ATOM 0 HA ASP A 39 10.195 12.263 -11.196 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.132 9.825 -11.011 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.182 10.788 -9.548 1.00 0.00 H new ATOM 411 N GLY A 40 7.769 10.407 -12.114 1.00 0.00 N ATOM 412 CA GLY A 40 7.103 9.813 -13.306 1.00 0.00 C ATOM 413 C GLY A 40 7.382 8.311 -13.384 1.00 0.00 C ATOM 414 O GLY A 40 6.810 7.615 -14.198 1.00 0.00 O ATOM 0 H GLY A 40 7.187 10.486 -11.280 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.028 9.987 -13.253 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.461 10.303 -14.212 1.00 0.00 H new ATOM 418 N TYR A 41 8.259 7.839 -12.537 1.00 0.00 N ATOM 419 CA TYR A 41 8.576 6.388 -12.559 1.00 0.00 C ATOM 420 C TYR A 41 8.985 5.893 -11.180 1.00 0.00 C ATOM 421 O TYR A 41 9.669 6.585 -10.452 1.00 0.00 O ATOM 422 CB TYR A 41 9.749 6.160 -13.526 1.00 0.00 C ATOM 423 CG TYR A 41 9.566 7.039 -14.763 1.00 0.00 C ATOM 424 CD1 TYR A 41 8.823 6.591 -15.837 1.00 0.00 C ATOM 425 CD2 TYR A 41 10.144 8.290 -14.825 1.00 0.00 C ATOM 426 CE1 TYR A 41 8.664 7.382 -16.956 1.00 0.00 C ATOM 427 CE2 TYR A 41 9.984 9.081 -15.944 1.00 0.00 C ATOM 428 CZ TYR A 41 9.242 8.633 -17.018 1.00 0.00 C ATOM 429 OH TYR A 41 9.085 9.423 -18.139 1.00 0.00 O ATOM 0 H TYR A 41 8.762 8.390 -11.841 1.00 0.00 H new ATOM 0 HA TYR A 41 7.688 5.842 -12.876 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.692 6.398 -13.034 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.797 5.110 -13.816 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.363 5.614 -15.801 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.726 8.653 -13.991 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.082 7.019 -17.790 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.443 10.058 -15.980 1.00 0.00 H new ATOM 0 HH TYR A 41 9.558 10.271 -18.010 1.00 0.00 H new ATOM 439 N ILE A 42 8.558 4.698 -10.847 1.00 0.00 N ATOM 440 CA ILE A 42 8.912 4.135 -9.517 1.00 0.00 C ATOM 441 C ILE A 42 9.999 3.089 -9.650 1.00 0.00 C ATOM 442 O ILE A 42 10.182 2.514 -10.704 1.00 0.00 O ATOM 443 CB ILE A 42 7.681 3.456 -8.923 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.744 3.045 -10.033 1.00 0.00 C ATOM 445 CG2 ILE A 42 6.953 4.450 -8.011 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.675 2.112 -9.469 1.00 0.00 C ATOM 0 H ILE A 42 7.984 4.096 -11.438 1.00 0.00 H new ATOM 0 HA ILE A 42 9.263 4.947 -8.881 1.00 0.00 H new ATOM 0 HB ILE A 42 7.990 2.578 -8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.278 3.925 -10.476 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.299 2.544 -10.826 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.072 3.973 -7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.621 4.765 -7.209 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.648 5.320 -8.592 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.996 1.812 -10.267 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.151 1.227 -9.046 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.114 2.630 -8.691 1.00 0.00 H new ATOM 458 N ASN A 43 10.703 2.863 -8.581 1.00 0.00 N ATOM 459 CA ASN A 43 11.783 1.857 -8.620 1.00 0.00 C ATOM 460 C ASN A 43 11.271 0.542 -8.058 1.00 0.00 C ATOM 461 O ASN A 43 10.437 0.529 -7.173 1.00 0.00 O ATOM 462 CB ASN A 43 12.944 2.355 -7.748 1.00 0.00 C ATOM 463 CG ASN A 43 13.750 3.396 -8.530 1.00 0.00 C ATOM 464 OD1 ASN A 43 13.968 4.500 -8.073 1.00 0.00 O ATOM 465 ND2 ASN A 43 14.207 3.084 -9.712 1.00 0.00 N ATOM 0 H ASN A 43 10.574 3.333 -7.685 1.00 0.00 H new ATOM 0 HA ASN A 43 12.116 1.708 -9.647 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.561 2.792 -6.826 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.585 1.520 -7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.744 3.766 -10.247 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.027 2.158 -10.100 1.00 0.00 H new ATOM 472 N CYS A 44 11.760 -0.541 -8.581 1.00 0.00 N ATOM 473 CA CYS A 44 11.300 -1.854 -8.076 1.00 0.00 C ATOM 474 C CYS A 44 11.356 -1.892 -6.550 1.00 0.00 C ATOM 475 O CYS A 44 10.864 -2.813 -5.932 1.00 0.00 O ATOM 476 CB CYS A 44 12.222 -2.939 -8.646 1.00 0.00 C ATOM 477 SG CYS A 44 13.867 -3.105 -7.909 1.00 0.00 S ATOM 0 H CYS A 44 12.452 -0.574 -9.330 1.00 0.00 H new ATOM 0 HA CYS A 44 10.269 -2.022 -8.387 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.712 -3.898 -8.552 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.348 -2.748 -9.712 1.00 0.00 H new ATOM 0 HG CYS A 44 14.513 -4.064 -8.502 1.00 0.00 H new ATOM 483 N ARG A 45 11.968 -0.892 -5.968 1.00 0.00 N ATOM 484 CA ARG A 45 12.057 -0.863 -4.488 1.00 0.00 C ATOM 485 C ARG A 45 10.689 -0.594 -3.900 1.00 0.00 C ATOM 486 O ARG A 45 10.154 -1.405 -3.172 1.00 0.00 O ATOM 487 CB ARG A 45 13.010 0.270 -4.071 1.00 0.00 C ATOM 488 CG ARG A 45 14.451 -0.170 -4.332 1.00 0.00 C ATOM 489 CD ARG A 45 15.408 0.865 -3.740 1.00 0.00 C ATOM 490 NE ARG A 45 15.506 2.022 -4.673 1.00 0.00 N ATOM 491 CZ ARG A 45 15.597 3.231 -4.187 1.00 0.00 C ATOM 492 NH1 ARG A 45 16.759 3.661 -3.778 1.00 0.00 N ATOM 493 NH2 ARG A 45 14.523 3.970 -4.130 1.00 0.00 N ATOM 0 H ARG A 45 12.403 -0.106 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 45 12.426 -1.822 -4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.786 1.177 -4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.874 0.507 -3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.632 -1.148 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.624 -0.272 -5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.049 1.196 -2.766 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.392 0.423 -3.584 1.00 0.00 H new ATOM 0 HE ARG A 45 15.502 1.872 -5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.578 3.056 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.849 4.602 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.632 3.601 -4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.575 4.917 -3.754 1.00 0.00 H new ATOM 507 N ASP A 46 10.140 0.544 -4.225 1.00 0.00 N ATOM 508 CA ASP A 46 8.805 0.871 -3.691 1.00 0.00 C ATOM 509 C ASP A 46 7.851 -0.271 -3.993 1.00 0.00 C ATOM 510 O ASP A 46 7.093 -0.695 -3.147 1.00 0.00 O ATOM 511 CB ASP A 46 8.297 2.144 -4.389 1.00 0.00 C ATOM 512 CG ASP A 46 7.743 3.112 -3.340 1.00 0.00 C ATOM 513 OD1 ASP A 46 7.294 2.611 -2.323 1.00 0.00 O ATOM 514 OD2 ASP A 46 7.799 4.300 -3.617 1.00 0.00 O ATOM 0 H ASP A 46 10.559 1.249 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 46 8.861 1.026 -2.614 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.108 2.616 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.522 1.891 -5.112 1.00 0.00 H new ATOM 519 N LEU A 47 7.911 -0.738 -5.214 1.00 0.00 N ATOM 520 CA LEU A 47 7.031 -1.854 -5.629 1.00 0.00 C ATOM 521 C LEU A 47 6.882 -2.884 -4.534 1.00 0.00 C ATOM 522 O LEU A 47 5.806 -3.097 -4.042 1.00 0.00 O ATOM 523 CB LEU A 47 7.672 -2.537 -6.829 1.00 0.00 C ATOM 524 CG LEU A 47 7.086 -1.965 -8.101 1.00 0.00 C ATOM 525 CD1 LEU A 47 5.615 -2.281 -8.165 1.00 0.00 C ATOM 526 CD2 LEU A 47 7.280 -0.444 -8.122 1.00 0.00 C ATOM 0 H LEU A 47 8.537 -0.388 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 47 6.046 -1.449 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.752 -2.388 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.498 -3.612 -6.786 1.00 0.00 H new ATOM 0 HG LEU A 47 7.592 -2.407 -8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.194 -1.868 -9.082 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.474 -3.362 -8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.111 -1.842 -7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.857 -0.036 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.777 -0.001 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.344 -0.212 -8.079 1.00 0.00 H new ATOM 538 N GLY A 48 7.968 -3.532 -4.197 1.00 0.00 N ATOM 539 CA GLY A 48 7.901 -4.562 -3.123 1.00 0.00 C ATOM 540 C GLY A 48 6.966 -4.090 -2.018 1.00 0.00 C ATOM 541 O GLY A 48 6.172 -4.851 -1.497 1.00 0.00 O ATOM 0 H GLY A 48 8.888 -3.393 -4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.546 -5.507 -3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.896 -4.744 -2.718 1.00 0.00 H new ATOM 545 N ASN A 49 7.070 -2.833 -1.695 1.00 0.00 N ATOM 546 CA ASN A 49 6.196 -2.290 -0.634 1.00 0.00 C ATOM 547 C ASN A 49 4.818 -1.949 -1.199 1.00 0.00 C ATOM 548 O ASN A 49 3.830 -1.985 -0.489 1.00 0.00 O ATOM 549 CB ASN A 49 6.842 -1.014 -0.063 1.00 0.00 C ATOM 550 CG ASN A 49 6.091 -0.584 1.203 1.00 0.00 C ATOM 551 OD1 ASN A 49 6.425 -1.116 2.348 1.00 0.00 O flip ATOM 552 ND2 ASN A 49 5.196 0.236 1.161 1.00 0.00 N flip ATOM 0 H ASN A 49 7.717 -2.167 -2.118 1.00 0.00 H new ATOM 0 HA ASN A 49 6.077 -3.038 0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.891 -1.197 0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.813 -0.216 -0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.930 0.655 0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.710 0.505 2.017 1.00 0.00 H new ATOM 559 N CYS A 50 4.768 -1.630 -2.475 1.00 0.00 N ATOM 560 CA CYS A 50 3.458 -1.292 -3.079 1.00 0.00 C ATOM 561 C CYS A 50 2.727 -2.569 -3.432 1.00 0.00 C ATOM 562 O CYS A 50 1.523 -2.666 -3.299 1.00 0.00 O ATOM 563 CB CYS A 50 3.695 -0.480 -4.362 1.00 0.00 C ATOM 564 SG CYS A 50 2.438 0.745 -4.813 1.00 0.00 S ATOM 0 H CYS A 50 5.569 -1.592 -3.106 1.00 0.00 H new ATOM 0 HA CYS A 50 2.865 -0.711 -2.373 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.650 0.037 -4.263 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.796 -1.181 -5.191 1.00 0.00 H new ATOM 0 HG CYS A 50 2.666 1.855 -4.177 1.00 0.00 H new ATOM 570 N MET A 51 3.481 -3.530 -3.873 1.00 0.00 N ATOM 571 CA MET A 51 2.883 -4.814 -4.244 1.00 0.00 C ATOM 572 C MET A 51 2.261 -5.461 -3.015 1.00 0.00 C ATOM 573 O MET A 51 1.199 -6.045 -3.088 1.00 0.00 O ATOM 574 CB MET A 51 4.001 -5.716 -4.796 1.00 0.00 C ATOM 575 CG MET A 51 4.485 -5.155 -6.150 1.00 0.00 C ATOM 576 SD MET A 51 4.136 -6.139 -7.630 1.00 0.00 S ATOM 577 CE MET A 51 2.409 -5.634 -7.844 1.00 0.00 C ATOM 0 H MET A 51 4.493 -3.471 -3.990 1.00 0.00 H new ATOM 0 HA MET A 51 2.106 -4.670 -4.995 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.830 -5.761 -4.090 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.634 -6.735 -4.921 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.038 -4.170 -6.286 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.563 -5.009 -6.089 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.990 -6.133 -8.718 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.837 -5.911 -6.959 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.360 -4.554 -7.984 1.00 0.00 H new ATOM 587 N ARG A 52 2.939 -5.339 -1.900 1.00 0.00 N ATOM 588 CA ARG A 52 2.403 -5.937 -0.657 1.00 0.00 C ATOM 589 C ARG A 52 1.170 -5.180 -0.210 1.00 0.00 C ATOM 590 O ARG A 52 0.214 -5.760 0.265 1.00 0.00 O ATOM 591 CB ARG A 52 3.468 -5.827 0.438 1.00 0.00 C ATOM 592 CG ARG A 52 2.796 -5.981 1.803 1.00 0.00 C ATOM 593 CD ARG A 52 3.832 -6.455 2.820 1.00 0.00 C ATOM 594 NE ARG A 52 4.121 -7.897 2.580 1.00 0.00 N ATOM 595 CZ ARG A 52 5.198 -8.430 3.089 1.00 0.00 C ATOM 596 NH1 ARG A 52 6.256 -7.682 3.248 1.00 0.00 N ATOM 597 NH2 ARG A 52 5.183 -9.692 3.422 1.00 0.00 N ATOM 0 H ARG A 52 3.831 -4.854 -1.805 1.00 0.00 H new ATOM 0 HA ARG A 52 2.143 -6.980 -0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.228 -6.597 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.975 -4.864 0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.366 -5.031 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.976 -6.697 1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.746 -5.867 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.459 -6.309 3.834 1.00 0.00 H new ATOM 0 HE ARG A 52 3.482 -8.463 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.231 -6.699 2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.107 -8.080 3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.338 -10.246 3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.016 -10.124 3.821 1.00 0.00 H new ATOM 611 N THR A 53 1.213 -3.890 -0.367 1.00 0.00 N ATOM 612 CA THR A 53 0.055 -3.073 0.041 1.00 0.00 C ATOM 613 C THR A 53 -1.119 -3.305 -0.905 1.00 0.00 C ATOM 614 O THR A 53 -2.264 -3.163 -0.526 1.00 0.00 O ATOM 615 CB THR A 53 0.464 -1.596 -0.031 1.00 0.00 C ATOM 616 OG1 THR A 53 0.787 -1.234 1.296 1.00 0.00 O ATOM 617 CG2 THR A 53 -0.735 -0.707 -0.393 1.00 0.00 C ATOM 0 H THR A 53 1.999 -3.372 -0.759 1.00 0.00 H new ATOM 0 HA THR A 53 -0.247 -3.348 1.052 1.00 0.00 H new ATOM 0 HB THR A 53 1.262 -1.472 -0.763 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.061 -0.293 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.416 0.334 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.130 -1.007 -1.364 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.511 -0.817 0.364 1.00 0.00 H new ATOM 625 N MET A 54 -0.809 -3.669 -2.122 1.00 0.00 N ATOM 626 CA MET A 54 -1.888 -3.914 -3.112 1.00 0.00 C ATOM 627 C MET A 54 -2.316 -5.377 -3.126 1.00 0.00 C ATOM 628 O MET A 54 -3.481 -5.679 -3.289 1.00 0.00 O ATOM 629 CB MET A 54 -1.349 -3.548 -4.501 1.00 0.00 C ATOM 630 CG MET A 54 -2.500 -3.554 -5.505 1.00 0.00 C ATOM 631 SD MET A 54 -2.263 -2.637 -7.047 1.00 0.00 S ATOM 632 CE MET A 54 -0.544 -3.122 -7.335 1.00 0.00 C ATOM 0 H MET A 54 0.141 -3.806 -2.468 1.00 0.00 H new ATOM 0 HA MET A 54 -2.754 -3.310 -2.843 1.00 0.00 H new ATOM 0 HB2 MET A 54 -0.879 -2.565 -4.474 1.00 0.00 H new ATOM 0 HB3 MET A 54 -0.582 -4.260 -4.805 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.720 -4.591 -5.760 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.383 -3.154 -5.007 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.279 -2.924 -8.374 1.00 0.00 H new ATOM 0 HE2 MET A 54 0.111 -2.550 -6.678 1.00 0.00 H new ATOM 0 HE3 MET A 54 -0.426 -4.186 -7.127 1.00 0.00 H new ATOM 642 N GLY A 55 -1.365 -6.256 -2.961 1.00 0.00 N ATOM 643 CA GLY A 55 -1.694 -7.712 -2.963 1.00 0.00 C ATOM 644 C GLY A 55 -0.963 -8.401 -1.826 1.00 0.00 C ATOM 645 O GLY A 55 -0.198 -9.316 -2.042 1.00 0.00 O ATOM 0 H GLY A 55 -0.379 -6.032 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.770 -7.852 -2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.408 -8.158 -3.916 1.00 0.00 H new ATOM 649 N TYR A 56 -1.218 -7.930 -0.635 1.00 0.00 N ATOM 650 CA TYR A 56 -0.564 -8.520 0.560 1.00 0.00 C ATOM 651 C TYR A 56 -0.394 -10.031 0.426 1.00 0.00 C ATOM 652 O TYR A 56 -1.209 -10.692 -0.177 1.00 0.00 O ATOM 653 CB TYR A 56 -1.446 -8.220 1.785 1.00 0.00 C ATOM 654 CG TYR A 56 -2.498 -9.320 1.944 1.00 0.00 C ATOM 655 CD1 TYR A 56 -3.391 -9.590 0.926 1.00 0.00 C ATOM 656 CD2 TYR A 56 -2.567 -10.059 3.106 1.00 0.00 C ATOM 657 CE1 TYR A 56 -4.338 -10.583 1.070 1.00 0.00 C ATOM 658 CE2 TYR A 56 -3.514 -11.052 3.250 1.00 0.00 C ATOM 659 CZ TYR A 56 -4.407 -11.322 2.234 1.00 0.00 C ATOM 660 OH TYR A 56 -5.354 -12.317 2.378 1.00 0.00 O ATOM 0 H TYR A 56 -1.855 -7.158 -0.441 1.00 0.00 H new ATOM 0 HA TYR A 56 0.429 -8.083 0.666 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.830 -8.160 2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.933 -7.252 1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.348 -9.019 0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.874 -9.859 3.910 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.031 -10.784 0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.556 -11.623 4.166 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.258 -12.735 3.259 1.00 0.00 H new ATOM 670 N MET A 57 0.707 -10.515 0.988 1.00 0.00 N ATOM 671 CA MET A 57 1.046 -11.985 0.959 1.00 0.00 C ATOM 672 C MET A 57 1.998 -12.389 -0.201 1.00 0.00 C ATOM 673 O MET A 57 2.074 -13.552 -0.541 1.00 0.00 O ATOM 674 CB MET A 57 -0.242 -12.828 0.837 1.00 0.00 C ATOM 675 CG MET A 57 0.033 -14.246 1.347 1.00 0.00 C ATOM 676 SD MET A 57 -0.585 -15.614 0.335 1.00 0.00 S ATOM 677 CE MET A 57 -0.453 -16.910 1.589 1.00 0.00 C ATOM 0 H MET A 57 1.394 -9.938 1.473 1.00 0.00 H new ATOM 0 HA MET A 57 1.565 -12.181 1.897 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.046 -12.371 1.414 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.573 -12.860 -0.201 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.111 -14.364 1.456 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.400 -14.338 2.343 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.790 -17.858 1.169 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.585 -17.003 1.908 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.074 -16.651 2.446 1.00 0.00 H new ATOM 687 N PRO A 58 2.714 -11.431 -0.801 1.00 0.00 N ATOM 688 CA PRO A 58 3.629 -11.759 -1.897 1.00 0.00 C ATOM 689 C PRO A 58 4.809 -12.567 -1.379 1.00 0.00 C ATOM 690 O PRO A 58 4.761 -13.116 -0.296 1.00 0.00 O ATOM 691 CB PRO A 58 4.150 -10.399 -2.398 1.00 0.00 C ATOM 692 CG PRO A 58 3.697 -9.333 -1.365 1.00 0.00 C ATOM 693 CD PRO A 58 2.655 -10.001 -0.453 1.00 0.00 C ATOM 0 HA PRO A 58 3.132 -12.343 -2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.236 -10.411 -2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.750 -10.173 -3.387 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.546 -8.976 -0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.269 -8.466 -1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.889 -9.840 0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.659 -9.593 -0.625 1.00 0.00 H new ATOM 701 N THR A 59 5.850 -12.629 -2.163 1.00 0.00 N ATOM 702 CA THR A 59 7.034 -13.389 -1.729 1.00 0.00 C ATOM 703 C THR A 59 8.001 -12.453 -1.027 1.00 0.00 C ATOM 704 O THR A 59 7.591 -11.515 -0.372 1.00 0.00 O ATOM 705 CB THR A 59 7.718 -13.967 -2.969 1.00 0.00 C ATOM 706 OG1 THR A 59 7.932 -12.861 -3.821 1.00 0.00 O ATOM 707 CG2 THR A 59 6.762 -14.880 -3.752 1.00 0.00 C ATOM 0 H THR A 59 5.923 -12.186 -3.079 1.00 0.00 H new ATOM 0 HA THR A 59 6.738 -14.188 -1.049 1.00 0.00 H new ATOM 0 HB THR A 59 8.611 -14.518 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.848 -12.031 -3.307 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.274 -15.277 -4.628 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.442 -15.704 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.891 -14.307 -4.070 1.00 0.00 H new ATOM 715 N GLU A 60 9.260 -12.726 -1.175 1.00 0.00 N ATOM 716 CA GLU A 60 10.281 -11.874 -0.536 1.00 0.00 C ATOM 717 C GLU A 60 11.390 -11.596 -1.530 1.00 0.00 C ATOM 718 O GLU A 60 12.453 -11.126 -1.175 1.00 0.00 O ATOM 719 CB GLU A 60 10.855 -12.627 0.671 1.00 0.00 C ATOM 720 CG GLU A 60 9.752 -12.793 1.718 1.00 0.00 C ATOM 721 CD GLU A 60 10.371 -12.750 3.116 1.00 0.00 C ATOM 722 OE1 GLU A 60 10.909 -13.775 3.501 1.00 0.00 O ATOM 723 OE2 GLU A 60 10.268 -11.696 3.721 1.00 0.00 O ATOM 0 H GLU A 60 9.626 -13.510 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 60 9.840 -10.931 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.233 -13.602 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.697 -12.078 1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.011 -12.001 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.231 -13.739 1.567 1.00 0.00 H new ATOM 730 N MET A 61 11.104 -11.892 -2.770 1.00 0.00 N ATOM 731 CA MET A 61 12.102 -11.668 -3.836 1.00 0.00 C ATOM 732 C MET A 61 11.490 -11.934 -5.205 1.00 0.00 C ATOM 733 O MET A 61 12.093 -11.656 -6.220 1.00 0.00 O ATOM 734 CB MET A 61 13.260 -12.652 -3.624 1.00 0.00 C ATOM 735 CG MET A 61 12.820 -14.043 -4.090 1.00 0.00 C ATOM 736 SD MET A 61 13.606 -15.474 -3.307 1.00 0.00 S ATOM 737 CE MET A 61 13.180 -16.691 -4.579 1.00 0.00 C ATOM 0 H MET A 61 10.215 -12.281 -3.084 1.00 0.00 H new ATOM 0 HA MET A 61 12.447 -10.635 -3.794 1.00 0.00 H new ATOM 0 HB2 MET A 61 14.138 -12.327 -4.183 1.00 0.00 H new ATOM 0 HB3 MET A 61 13.544 -12.679 -2.572 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.744 -14.124 -3.937 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.995 -14.109 -5.164 1.00 0.00 H new ATOM 0 HE1 MET A 61 13.574 -17.667 -4.296 1.00 0.00 H new ATOM 0 HE2 MET A 61 12.096 -16.752 -4.676 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.613 -16.388 -5.532 1.00 0.00 H new ATOM 747 N GLU A 62 10.301 -12.481 -5.210 1.00 0.00 N ATOM 748 CA GLU A 62 9.648 -12.767 -6.508 1.00 0.00 C ATOM 749 C GLU A 62 9.242 -11.484 -7.215 1.00 0.00 C ATOM 750 O GLU A 62 9.489 -11.326 -8.398 1.00 0.00 O ATOM 751 CB GLU A 62 8.401 -13.626 -6.266 1.00 0.00 C ATOM 752 CG GLU A 62 8.121 -14.453 -7.522 1.00 0.00 C ATOM 753 CD GLU A 62 9.258 -15.459 -7.726 1.00 0.00 C ATOM 754 OE1 GLU A 62 9.922 -15.732 -6.739 1.00 0.00 O ATOM 755 OE2 GLU A 62 9.399 -15.896 -8.857 1.00 0.00 O ATOM 0 H GLU A 62 9.766 -12.736 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 62 10.359 -13.298 -7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.555 -14.282 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.545 -12.992 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.170 -14.976 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.037 -13.800 -8.391 1.00 0.00 H new ATOM 762 N LEU A 63 8.621 -10.584 -6.493 1.00 0.00 N ATOM 763 CA LEU A 63 8.213 -9.322 -7.150 1.00 0.00 C ATOM 764 C LEU A 63 9.397 -8.773 -7.905 1.00 0.00 C ATOM 765 O LEU A 63 9.261 -8.193 -8.964 1.00 0.00 O ATOM 766 CB LEU A 63 7.781 -8.290 -6.086 1.00 0.00 C ATOM 767 CG LEU A 63 7.570 -8.986 -4.739 1.00 0.00 C ATOM 768 CD1 LEU A 63 8.922 -9.133 -4.034 1.00 0.00 C ATOM 769 CD2 LEU A 63 6.642 -8.127 -3.869 1.00 0.00 C ATOM 0 H LEU A 63 8.387 -10.671 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 63 7.379 -9.514 -7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.541 -7.515 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.861 -7.797 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 63 7.125 -9.969 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.780 -9.628 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.592 -9.729 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.357 -8.147 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.488 -8.617 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.096 -7.149 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.683 -8.004 -4.372 1.00 0.00 H new ATOM 781 N ILE A 64 10.548 -8.976 -7.334 1.00 0.00 N ATOM 782 CA ILE A 64 11.769 -8.498 -7.962 1.00 0.00 C ATOM 783 C ILE A 64 11.954 -9.156 -9.329 1.00 0.00 C ATOM 784 O ILE A 64 12.218 -8.489 -10.302 1.00 0.00 O ATOM 785 CB ILE A 64 12.927 -8.858 -7.013 1.00 0.00 C ATOM 786 CG1 ILE A 64 13.629 -7.596 -6.590 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.946 -9.774 -7.724 1.00 0.00 C ATOM 788 CD1 ILE A 64 12.666 -6.745 -5.763 1.00 0.00 C ATOM 0 H ILE A 64 10.679 -9.461 -6.446 1.00 0.00 H new ATOM 0 HA ILE A 64 11.733 -7.421 -8.129 1.00 0.00 H new ATOM 0 HB ILE A 64 12.519 -9.379 -6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.516 -7.837 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.966 -7.041 -7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.757 -10.018 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.451 -10.692 -8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 64 14.351 -9.260 -8.596 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.166 -5.828 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 64 11.792 -6.495 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.352 -7.304 -4.882 1.00 0.00 H new ATOM 800 N GLU A 65 11.808 -10.454 -9.378 1.00 0.00 N ATOM 801 CA GLU A 65 11.975 -11.141 -10.677 1.00 0.00 C ATOM 802 C GLU A 65 11.169 -10.425 -11.746 1.00 0.00 C ATOM 803 O GLU A 65 11.608 -10.284 -12.870 1.00 0.00 O ATOM 804 CB GLU A 65 11.464 -12.584 -10.542 1.00 0.00 C ATOM 805 CG GLU A 65 11.491 -13.256 -11.917 1.00 0.00 C ATOM 806 CD GLU A 65 12.881 -13.089 -12.534 1.00 0.00 C ATOM 807 OE1 GLU A 65 13.826 -13.159 -11.766 1.00 0.00 O ATOM 808 OE2 GLU A 65 12.919 -12.901 -13.740 1.00 0.00 O ATOM 0 H GLU A 65 11.584 -11.054 -8.584 1.00 0.00 H new ATOM 0 HA GLU A 65 13.028 -11.138 -10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.086 -13.139 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.450 -12.588 -10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.247 -14.314 -11.822 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.736 -12.812 -12.566 1.00 0.00 H new ATOM 815 N LEU A 66 9.995 -9.984 -11.376 1.00 0.00 N ATOM 816 CA LEU A 66 9.149 -9.270 -12.362 1.00 0.00 C ATOM 817 C LEU A 66 9.756 -7.919 -12.673 1.00 0.00 C ATOM 818 O LEU A 66 10.057 -7.611 -13.816 1.00 0.00 O ATOM 819 CB LEU A 66 7.753 -9.067 -11.757 1.00 0.00 C ATOM 820 CG LEU A 66 7.227 -10.413 -11.257 1.00 0.00 C ATOM 821 CD1 LEU A 66 5.773 -10.252 -10.809 1.00 0.00 C ATOM 822 CD2 LEU A 66 7.292 -11.433 -12.398 1.00 0.00 C ATOM 0 H LEU A 66 9.594 -10.088 -10.444 1.00 0.00 H new ATOM 0 HA LEU A 66 9.082 -9.854 -13.280 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.799 -8.352 -10.936 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.076 -8.652 -12.503 1.00 0.00 H new ATOM 0 HG LEU A 66 7.834 -10.757 -10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.394 -11.210 -10.452 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.719 -9.518 -10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.168 -9.914 -11.650 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.918 -12.395 -12.048 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.679 -11.087 -13.231 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.325 -11.544 -12.729 1.00 0.00 H new ATOM 834 N SER A 67 9.930 -7.128 -11.653 1.00 0.00 N ATOM 835 CA SER A 67 10.515 -5.803 -11.878 1.00 0.00 C ATOM 836 C SER A 67 11.916 -5.957 -12.435 1.00 0.00 C ATOM 837 O SER A 67 12.476 -5.033 -12.985 1.00 0.00 O ATOM 838 CB SER A 67 10.569 -5.062 -10.540 1.00 0.00 C ATOM 839 OG SER A 67 11.563 -5.756 -9.800 1.00 0.00 O ATOM 0 H SER A 67 9.691 -7.349 -10.686 1.00 0.00 H new ATOM 0 HA SER A 67 9.911 -5.241 -12.590 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.833 -4.013 -10.676 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.605 -5.085 -10.032 1.00 0.00 H new ATOM 0 HG SER A 67 11.587 -6.694 -10.083 1.00 0.00 H new ATOM 845 N GLN A 68 12.460 -7.134 -12.276 1.00 0.00 N ATOM 846 CA GLN A 68 13.821 -7.380 -12.790 1.00 0.00 C ATOM 847 C GLN A 68 13.737 -7.609 -14.279 1.00 0.00 C ATOM 848 O GLN A 68 14.606 -7.212 -15.024 1.00 0.00 O ATOM 849 CB GLN A 68 14.395 -8.638 -12.113 1.00 0.00 C ATOM 850 CG GLN A 68 15.796 -8.916 -12.669 1.00 0.00 C ATOM 851 CD GLN A 68 16.781 -7.896 -12.094 1.00 0.00 C ATOM 852 OE1 GLN A 68 17.070 -7.893 -10.913 1.00 0.00 O ATOM 853 NE2 GLN A 68 17.317 -7.013 -12.891 1.00 0.00 N ATOM 0 H GLN A 68 12.016 -7.927 -11.813 1.00 0.00 H new ATOM 0 HA GLN A 68 14.465 -6.526 -12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.441 -8.495 -11.033 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.743 -9.492 -12.294 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.109 -9.927 -12.409 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.786 -8.856 -13.757 1.00 0.00 H new ATOM 0 HE21 GLN A 68 17.079 -7.010 -13.883 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.974 -6.326 -12.522 1.00 0.00 H new ATOM 862 N GLN A 69 12.676 -8.255 -14.690 1.00 0.00 N ATOM 863 CA GLN A 69 12.510 -8.519 -16.127 1.00 0.00 C ATOM 864 C GLN A 69 12.471 -7.197 -16.863 1.00 0.00 C ATOM 865 O GLN A 69 12.988 -7.069 -17.948 1.00 0.00 O ATOM 866 CB GLN A 69 11.176 -9.257 -16.341 1.00 0.00 C ATOM 867 CG GLN A 69 11.290 -10.155 -17.576 1.00 0.00 C ATOM 868 CD GLN A 69 10.038 -11.030 -17.682 1.00 0.00 C ATOM 869 OE1 GLN A 69 9.695 -11.756 -16.770 1.00 0.00 O ATOM 870 NE2 GLN A 69 9.329 -10.990 -18.777 1.00 0.00 N ATOM 0 H GLN A 69 11.930 -8.604 -14.089 1.00 0.00 H new ATOM 0 HA GLN A 69 13.335 -9.126 -16.500 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.933 -9.855 -15.463 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.366 -8.539 -16.472 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.400 -9.546 -18.474 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.180 -10.780 -17.504 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.612 -10.382 -19.546 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.492 -11.566 -18.864 1.00 0.00 H new ATOM 879 N ILE A 70 11.852 -6.224 -16.243 1.00 0.00 N ATOM 880 CA ILE A 70 11.765 -4.892 -16.886 1.00 0.00 C ATOM 881 C ILE A 70 13.124 -4.499 -17.455 1.00 0.00 C ATOM 882 O ILE A 70 13.214 -3.814 -18.453 1.00 0.00 O ATOM 883 CB ILE A 70 11.364 -3.874 -15.811 1.00 0.00 C ATOM 884 CG1 ILE A 70 9.996 -4.227 -15.253 1.00 0.00 C ATOM 885 CG2 ILE A 70 11.283 -2.474 -16.441 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.635 -3.230 -14.149 1.00 0.00 C ATOM 0 H ILE A 70 11.409 -6.299 -15.327 1.00 0.00 H new ATOM 0 HA ILE A 70 11.034 -4.916 -17.694 1.00 0.00 H new ATOM 0 HB ILE A 70 12.107 -3.890 -15.013 1.00 0.00 H new ATOM 0 HG12 ILE A 70 9.248 -4.199 -16.045 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.002 -5.242 -14.856 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.998 -1.748 -15.679 1.00 0.00 H new ATOM 0 HG22 ILE A 70 12.255 -2.204 -16.854 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.538 -2.476 -17.237 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.654 -3.476 -13.743 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.380 -3.281 -13.355 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.614 -2.222 -14.562 1.00 0.00 H new ATOM 898 N ASN A 71 14.158 -4.954 -16.806 1.00 0.00 N ATOM 899 CA ASN A 71 15.524 -4.629 -17.277 1.00 0.00 C ATOM 900 C ASN A 71 15.693 -4.945 -18.763 1.00 0.00 C ATOM 901 O ASN A 71 16.684 -4.579 -19.365 1.00 0.00 O ATOM 902 CB ASN A 71 16.520 -5.481 -16.474 1.00 0.00 C ATOM 903 CG ASN A 71 17.931 -5.274 -17.032 1.00 0.00 C ATOM 904 OD1 ASN A 71 18.581 -6.205 -17.465 1.00 0.00 O ATOM 905 ND2 ASN A 71 18.441 -4.073 -17.040 1.00 0.00 N ATOM 0 H ASN A 71 14.112 -5.537 -15.970 1.00 0.00 H new ATOM 0 HA ASN A 71 15.702 -3.563 -17.134 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.489 -5.201 -15.421 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.245 -6.534 -16.532 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.380 -3.920 -17.408 1.00 0.00 H new ATOM 0 HD22 ASN A 71 17.901 -3.287 -16.678 1.00 0.00 H new ATOM 912 N MET A 72 14.728 -5.618 -19.331 1.00 0.00 N ATOM 913 CA MET A 72 14.832 -5.958 -20.774 1.00 0.00 C ATOM 914 C MET A 72 14.272 -4.836 -21.647 1.00 0.00 C ATOM 915 O MET A 72 13.969 -5.042 -22.805 1.00 0.00 O ATOM 916 CB MET A 72 14.027 -7.243 -21.036 1.00 0.00 C ATOM 917 CG MET A 72 14.931 -8.271 -21.719 1.00 0.00 C ATOM 918 SD MET A 72 15.757 -7.770 -23.249 1.00 0.00 S ATOM 919 CE MET A 72 17.092 -8.992 -23.198 1.00 0.00 C ATOM 0 H MET A 72 13.882 -5.943 -18.862 1.00 0.00 H new ATOM 0 HA MET A 72 15.883 -6.098 -21.025 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.644 -7.644 -20.098 1.00 0.00 H new ATOM 0 HB3 MET A 72 13.164 -7.024 -21.665 1.00 0.00 H new ATOM 0 HG2 MET A 72 15.698 -8.571 -21.005 1.00 0.00 H new ATOM 0 HG3 MET A 72 14.332 -9.156 -21.934 1.00 0.00 H new ATOM 0 HE1 MET A 72 17.737 -8.863 -24.067 1.00 0.00 H new ATOM 0 HE2 MET A 72 17.677 -8.854 -22.289 1.00 0.00 H new ATOM 0 HE3 MET A 72 16.667 -9.996 -23.208 1.00 0.00 H new ATOM 929 N ASN A 73 14.145 -3.671 -21.077 1.00 0.00 N ATOM 930 CA ASN A 73 13.608 -2.531 -21.861 1.00 0.00 C ATOM 931 C ASN A 73 14.117 -1.211 -21.298 1.00 0.00 C ATOM 932 O ASN A 73 14.916 -0.536 -21.918 1.00 0.00 O ATOM 933 CB ASN A 73 12.074 -2.555 -21.768 1.00 0.00 C ATOM 934 CG ASN A 73 11.661 -3.193 -20.445 1.00 0.00 C ATOM 935 OD1 ASN A 73 11.385 -2.423 -19.432 1.00 0.00 O flip ATOM 936 ND2 ASN A 73 11.588 -4.398 -20.321 1.00 0.00 N flip ATOM 0 H ASN A 73 14.389 -3.462 -20.109 1.00 0.00 H new ATOM 0 HA ASN A 73 13.934 -2.621 -22.897 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.678 -1.542 -21.836 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.656 -3.118 -22.603 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.803 -5.006 -21.111 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.312 -4.803 -19.427 1.00 0.00 H new ATOM 943 N LEU A 74 13.645 -0.865 -20.131 1.00 0.00 N ATOM 944 CA LEU A 74 14.089 0.404 -19.511 1.00 0.00 C ATOM 945 C LEU A 74 15.280 0.161 -18.591 1.00 0.00 C ATOM 946 O LEU A 74 16.412 0.387 -18.970 1.00 0.00 O ATOM 947 CB LEU A 74 12.925 0.977 -18.685 1.00 0.00 C ATOM 948 CG LEU A 74 11.837 1.480 -19.637 1.00 0.00 C ATOM 949 CD1 LEU A 74 10.683 2.065 -18.820 1.00 0.00 C ATOM 950 CD2 LEU A 74 12.419 2.572 -20.537 1.00 0.00 C ATOM 0 H LEU A 74 12.974 -1.407 -19.586 1.00 0.00 H new ATOM 0 HA LEU A 74 14.388 1.102 -20.293 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.521 0.211 -18.023 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.278 1.792 -18.053 1.00 0.00 H new ATOM 0 HG LEU A 74 11.474 0.654 -20.248 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.906 2.425 -19.494 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.271 1.294 -18.169 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.050 2.894 -18.214 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.647 2.933 -21.217 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.776 3.398 -19.922 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.249 2.164 -21.114 1.00 0.00 H new ATOM 962 N GLY A 75 15.006 -0.296 -17.395 1.00 0.00 N ATOM 963 CA GLY A 75 16.127 -0.558 -16.439 1.00 0.00 C ATOM 964 C GLY A 75 15.724 -0.222 -14.998 1.00 0.00 C ATOM 965 O GLY A 75 16.221 0.725 -14.422 1.00 0.00 O ATOM 0 H GLY A 75 14.070 -0.497 -17.042 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.423 -1.605 -16.501 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.996 0.036 -16.723 1.00 0.00 H new ATOM 969 N GLY A 76 14.828 -1.000 -14.441 1.00 0.00 N ATOM 970 CA GLY A 76 14.396 -0.725 -13.041 1.00 0.00 C ATOM 971 C GLY A 76 13.602 0.579 -12.971 1.00 0.00 C ATOM 972 O GLY A 76 13.778 1.371 -12.066 1.00 0.00 O ATOM 0 H GLY A 76 14.384 -1.801 -14.890 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.785 -1.550 -12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.269 -0.661 -12.391 1.00 0.00 H new ATOM 976 N HIS A 77 12.747 0.773 -13.929 1.00 0.00 N ATOM 977 CA HIS A 77 11.931 2.010 -13.944 1.00 0.00 C ATOM 978 C HIS A 77 10.596 1.736 -14.604 1.00 0.00 C ATOM 979 O HIS A 77 10.536 1.464 -15.788 1.00 0.00 O ATOM 980 CB HIS A 77 12.669 3.081 -14.753 1.00 0.00 C ATOM 981 CG HIS A 77 13.676 3.799 -13.851 1.00 0.00 C ATOM 982 ND1 HIS A 77 14.881 3.972 -14.122 1.00 0.00 N ATOM 983 CD2 HIS A 77 13.492 4.381 -12.610 1.00 0.00 C ATOM 984 CE1 HIS A 77 15.484 4.595 -13.197 1.00 0.00 C ATOM 985 NE2 HIS A 77 14.675 4.902 -12.183 1.00 0.00 N ATOM 0 H HIS A 77 12.578 0.129 -14.702 1.00 0.00 H new ATOM 0 HA HIS A 77 11.769 2.349 -12.921 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.183 2.623 -15.598 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.957 3.797 -15.163 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.559 4.416 -12.067 1.00 0.00 H new ATOM 0 HE1 HIS A 77 16.533 4.848 -13.227 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.886 5.397 -11.316 1.00 0.00 H new ATOM 993 N VAL A 78 9.547 1.820 -13.828 1.00 0.00 N ATOM 994 CA VAL A 78 8.190 1.564 -14.387 1.00 0.00 C ATOM 995 C VAL A 78 7.317 2.804 -14.361 1.00 0.00 C ATOM 996 O VAL A 78 7.299 3.548 -13.400 1.00 0.00 O ATOM 997 CB VAL A 78 7.515 0.453 -13.530 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.342 0.214 -12.288 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.097 0.877 -13.092 1.00 0.00 C ATOM 0 H VAL A 78 9.572 2.054 -12.836 1.00 0.00 H new ATOM 0 HA VAL A 78 8.298 1.259 -15.428 1.00 0.00 H new ATOM 0 HB VAL A 78 7.447 -0.451 -14.135 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.874 -0.563 -11.683 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.345 -0.103 -12.574 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.404 1.136 -11.709 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.648 0.083 -12.495 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.157 1.789 -12.497 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.483 1.059 -13.974 1.00 0.00 H new ATOM 1009 N ASP A 79 6.619 2.994 -15.435 1.00 0.00 N ATOM 1010 CA ASP A 79 5.723 4.153 -15.543 1.00 0.00 C ATOM 1011 C ASP A 79 4.326 3.652 -15.249 1.00 0.00 C ATOM 1012 O ASP A 79 4.098 2.459 -15.286 1.00 0.00 O ATOM 1013 CB ASP A 79 5.788 4.713 -16.973 1.00 0.00 C ATOM 1014 CG ASP A 79 4.885 3.889 -17.879 1.00 0.00 C ATOM 1015 OD1 ASP A 79 5.374 2.874 -18.348 1.00 0.00 O ATOM 1016 OD2 ASP A 79 3.756 4.320 -18.055 1.00 0.00 O ATOM 0 H ASP A 79 6.635 2.383 -16.252 1.00 0.00 H new ATOM 0 HA ASP A 79 6.007 4.944 -14.849 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.475 5.757 -16.981 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.814 4.685 -17.340 1.00 0.00 H new ATOM 1021 N PHE A 80 3.420 4.525 -14.938 1.00 0.00 N ATOM 1022 CA PHE A 80 2.051 4.036 -14.645 1.00 0.00 C ATOM 1023 C PHE A 80 1.609 2.960 -15.642 1.00 0.00 C ATOM 1024 O PHE A 80 0.693 2.208 -15.372 1.00 0.00 O ATOM 1025 CB PHE A 80 1.061 5.198 -14.698 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.241 4.724 -14.055 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.252 4.263 -12.745 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.413 4.689 -14.786 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.410 3.774 -12.188 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.570 4.199 -14.224 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.570 3.742 -12.926 1.00 0.00 C ATOM 0 H PHE A 80 3.560 5.533 -14.874 1.00 0.00 H new ATOM 0 HA PHE A 80 2.066 3.597 -13.647 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.457 6.064 -14.167 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.889 5.508 -15.729 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.655 4.289 -12.160 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.421 5.048 -15.804 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.409 3.415 -11.170 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.481 4.173 -14.804 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.480 3.359 -12.488 1.00 0.00 H new ATOM 1041 N ASP A 81 2.264 2.902 -16.776 1.00 0.00 N ATOM 1042 CA ASP A 81 1.881 1.874 -17.778 1.00 0.00 C ATOM 1043 C ASP A 81 2.574 0.552 -17.461 1.00 0.00 C ATOM 1044 O ASP A 81 1.979 -0.503 -17.571 1.00 0.00 O ATOM 1045 CB ASP A 81 2.313 2.343 -19.177 1.00 0.00 C ATOM 1046 CG ASP A 81 1.742 3.735 -19.447 1.00 0.00 C ATOM 1047 OD1 ASP A 81 0.695 4.009 -18.882 1.00 0.00 O ATOM 1048 OD2 ASP A 81 2.383 4.445 -20.203 1.00 0.00 O ATOM 0 H ASP A 81 3.035 3.514 -17.044 1.00 0.00 H new ATOM 0 HA ASP A 81 0.801 1.732 -17.748 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.401 2.365 -19.245 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.960 1.641 -19.933 1.00 0.00 H new ATOM 1053 N ASP A 82 3.832 0.627 -17.070 1.00 0.00 N ATOM 1054 CA ASP A 82 4.558 -0.619 -16.743 1.00 0.00 C ATOM 1055 C ASP A 82 4.082 -1.103 -15.389 1.00 0.00 C ATOM 1056 O ASP A 82 4.190 -2.265 -15.050 1.00 0.00 O ATOM 1057 CB ASP A 82 6.065 -0.313 -16.687 1.00 0.00 C ATOM 1058 CG ASP A 82 6.847 -1.625 -16.654 1.00 0.00 C ATOM 1059 OD1 ASP A 82 6.236 -2.628 -16.988 1.00 0.00 O ATOM 1060 OD2 ASP A 82 8.013 -1.553 -16.299 1.00 0.00 O ATOM 0 H ASP A 82 4.367 1.489 -16.969 1.00 0.00 H new ATOM 0 HA ASP A 82 4.373 -1.385 -17.496 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.360 0.278 -17.554 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.294 0.282 -15.803 1.00 0.00 H new ATOM 1065 N PHE A 83 3.564 -0.170 -14.642 1.00 0.00 N ATOM 1066 CA PHE A 83 3.047 -0.478 -13.294 1.00 0.00 C ATOM 1067 C PHE A 83 1.761 -1.260 -13.455 1.00 0.00 C ATOM 1068 O PHE A 83 1.550 -2.282 -12.821 1.00 0.00 O ATOM 1069 CB PHE A 83 2.766 0.877 -12.626 1.00 0.00 C ATOM 1070 CG PHE A 83 2.159 0.726 -11.229 1.00 0.00 C ATOM 1071 CD1 PHE A 83 2.919 0.261 -10.168 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.888 1.220 -10.974 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.420 0.304 -8.879 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.396 1.260 -9.687 1.00 0.00 C ATOM 1075 CZ PHE A 83 1.159 0.808 -8.642 1.00 0.00 C ATOM 0 H PHE A 83 3.479 0.808 -14.919 1.00 0.00 H new ATOM 0 HA PHE A 83 3.744 -1.065 -12.696 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.694 1.444 -12.556 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.087 1.454 -13.254 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.907 -0.137 -10.349 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.279 1.576 -11.791 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.019 -0.058 -8.057 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.594 1.649 -9.501 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.773 0.847 -7.634 1.00 0.00 H new ATOM 1085 N VAL A 84 0.919 -0.765 -14.319 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.354 -1.449 -14.554 1.00 0.00 C ATOM 1087 C VAL A 84 -0.057 -2.801 -15.184 1.00 0.00 C ATOM 1088 O VAL A 84 -0.751 -3.777 -14.951 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.191 -0.596 -15.524 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.182 -1.489 -16.264 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -1.965 0.458 -14.727 1.00 0.00 C ATOM 0 H VAL A 84 1.069 0.083 -14.865 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.903 -1.588 -13.623 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.531 -0.109 -16.242 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.774 -0.884 -16.951 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.638 -2.248 -16.826 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.843 -1.973 -15.545 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.560 1.065 -15.409 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.624 -0.037 -14.013 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.263 1.097 -14.191 1.00 0.00 H new ATOM 1101 N GLU A 85 0.992 -2.834 -15.977 1.00 0.00 N ATOM 1102 CA GLU A 85 1.364 -4.101 -16.633 1.00 0.00 C ATOM 1103 C GLU A 85 1.654 -5.133 -15.564 1.00 0.00 C ATOM 1104 O GLU A 85 1.188 -6.253 -15.634 1.00 0.00 O ATOM 1105 CB GLU A 85 2.632 -3.868 -17.475 1.00 0.00 C ATOM 1106 CG GLU A 85 2.941 -5.129 -18.286 1.00 0.00 C ATOM 1107 CD GLU A 85 4.327 -4.992 -18.920 1.00 0.00 C ATOM 1108 OE1 GLU A 85 5.150 -4.349 -18.289 1.00 0.00 O ATOM 1109 OE2 GLU A 85 4.485 -5.535 -20.001 1.00 0.00 O ATOM 0 H GLU A 85 1.593 -2.037 -16.188 1.00 0.00 H new ATOM 0 HA GLU A 85 0.555 -4.450 -17.274 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.488 -3.019 -18.143 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.473 -3.624 -16.826 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.908 -6.008 -17.642 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.187 -5.272 -19.060 1.00 0.00 H new ATOM 1116 N LEU A 86 2.430 -4.738 -14.581 1.00 0.00 N ATOM 1117 CA LEU A 86 2.750 -5.688 -13.503 1.00 0.00 C ATOM 1118 C LEU A 86 1.443 -6.234 -12.951 1.00 0.00 C ATOM 1119 O LEU A 86 1.364 -7.366 -12.518 1.00 0.00 O ATOM 1120 CB LEU A 86 3.509 -4.938 -12.386 1.00 0.00 C ATOM 1121 CG LEU A 86 5.023 -5.001 -12.656 1.00 0.00 C ATOM 1122 CD1 LEU A 86 5.762 -4.303 -11.514 1.00 0.00 C ATOM 1123 CD2 LEU A 86 5.464 -6.464 -12.717 1.00 0.00 C ATOM 0 H LEU A 86 2.843 -3.810 -14.491 1.00 0.00 H new ATOM 0 HA LEU A 86 3.369 -6.504 -13.877 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.180 -3.900 -12.343 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.284 -5.384 -11.417 1.00 0.00 H new ATOM 0 HG LEU A 86 5.250 -4.509 -13.602 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.836 -4.343 -11.697 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.442 -3.263 -11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.536 -4.805 -10.573 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.536 -6.513 -12.908 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.242 -6.951 -11.767 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.929 -6.972 -13.519 1.00 0.00 H new ATOM 1135 N MET A 87 0.432 -5.391 -12.978 1.00 0.00 N ATOM 1136 CA MET A 87 -0.902 -5.809 -12.471 1.00 0.00 C ATOM 1137 C MET A 87 -1.631 -6.600 -13.555 1.00 0.00 C ATOM 1138 O MET A 87 -2.682 -7.166 -13.327 1.00 0.00 O ATOM 1139 CB MET A 87 -1.722 -4.548 -12.142 1.00 0.00 C ATOM 1140 CG MET A 87 -2.841 -4.912 -11.157 1.00 0.00 C ATOM 1141 SD MET A 87 -2.707 -4.266 -9.472 1.00 0.00 S ATOM 1142 CE MET A 87 -3.780 -5.487 -8.672 1.00 0.00 C ATOM 0 H MET A 87 0.482 -4.435 -13.330 1.00 0.00 H new ATOM 0 HA MET A 87 -0.782 -6.428 -11.582 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.077 -3.783 -11.710 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.147 -4.129 -13.054 1.00 0.00 H new ATOM 0 HG2 MET A 87 -3.785 -4.566 -11.577 1.00 0.00 H new ATOM 0 HG3 MET A 87 -2.898 -5.999 -11.098 1.00 0.00 H new ATOM 0 HE1 MET A 87 -3.970 -5.185 -7.642 1.00 0.00 H new ATOM 0 HE2 MET A 87 -4.725 -5.550 -9.212 1.00 0.00 H new ATOM 0 HE3 MET A 87 -3.291 -6.461 -8.680 1.00 0.00 H new ATOM 1152 N GLY A 88 -1.031 -6.606 -14.724 1.00 0.00 N ATOM 1153 CA GLY A 88 -1.612 -7.336 -15.901 1.00 0.00 C ATOM 1154 C GLY A 88 -2.442 -8.563 -15.492 1.00 0.00 C ATOM 1155 O GLY A 88 -3.601 -8.666 -15.840 1.00 0.00 O ATOM 0 H GLY A 88 -0.150 -6.129 -14.916 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.240 -6.653 -16.472 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.804 -7.653 -16.560 1.00 0.00 H new ATOM 1159 N PRO A 89 -1.817 -9.489 -14.781 1.00 0.00 N ATOM 1160 CA PRO A 89 -2.499 -10.699 -14.331 1.00 0.00 C ATOM 1161 C PRO A 89 -3.878 -10.405 -13.729 1.00 0.00 C ATOM 1162 O PRO A 89 -4.614 -11.311 -13.395 1.00 0.00 O ATOM 1163 CB PRO A 89 -1.558 -11.297 -13.267 1.00 0.00 C ATOM 1164 CG PRO A 89 -0.195 -10.545 -13.384 1.00 0.00 C ATOM 1165 CD PRO A 89 -0.401 -9.391 -14.380 1.00 0.00 C ATOM 0 HA PRO A 89 -2.690 -11.378 -15.162 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.980 -11.177 -12.269 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.423 -12.366 -13.430 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.120 -10.164 -12.412 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.588 -11.219 -13.731 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.186 -8.427 -13.919 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.262 -9.488 -15.240 1.00 0.00 H new ATOM 1173 N LYS A 90 -4.201 -9.148 -13.601 1.00 0.00 N ATOM 1174 CA LYS A 90 -5.520 -8.789 -13.029 1.00 0.00 C ATOM 1175 C LYS A 90 -5.947 -7.399 -13.487 1.00 0.00 C ATOM 1176 O LYS A 90 -5.798 -6.434 -12.766 1.00 0.00 O ATOM 1177 CB LYS A 90 -5.414 -8.792 -11.499 1.00 0.00 C ATOM 1178 CG LYS A 90 -6.819 -8.661 -10.907 1.00 0.00 C ATOM 1179 CD LYS A 90 -6.713 -8.216 -9.449 1.00 0.00 C ATOM 1180 CE LYS A 90 -7.903 -8.775 -8.669 1.00 0.00 C ATOM 1181 NZ LYS A 90 -8.173 -7.946 -7.461 1.00 0.00 N ATOM 0 H LYS A 90 -3.610 -8.361 -13.867 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.259 -9.515 -13.368 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.944 -9.713 -11.155 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.784 -7.968 -11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.401 -7.938 -11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.343 -9.614 -10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.778 -8.570 -9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.701 -7.128 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.786 -8.796 -9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.700 -9.804 -8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.984 -8.340 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.335 -7.947 -6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.388 -6.971 -7.750 1.00 0.00 H new ATOM 1195 N LEU A 91 -6.470 -7.325 -14.685 1.00 0.00 N ATOM 1196 CA LEU A 91 -6.913 -6.008 -15.212 1.00 0.00 C ATOM 1197 C LEU A 91 -8.412 -5.819 -15.009 1.00 0.00 C ATOM 1198 O LEU A 91 -9.228 -6.149 -15.846 1.00 0.00 O ATOM 1199 CB LEU A 91 -6.609 -5.961 -16.717 1.00 0.00 C ATOM 1200 CG LEU A 91 -5.097 -5.845 -16.917 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -4.758 -6.140 -18.377 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -4.651 -4.423 -16.574 1.00 0.00 C ATOM 0 H LEU A 91 -6.607 -8.116 -15.314 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.386 -5.216 -14.680 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.985 -6.860 -17.205 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.116 -5.113 -17.177 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.585 -6.557 -16.270 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.681 -6.058 -18.524 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.083 -7.149 -18.629 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.267 -5.423 -19.021 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.574 -4.336 -16.715 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.161 -3.714 -17.226 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.900 -4.204 -15.536 1.00 0.00 H new TER 1214 LEU A 91 HETATM 1215 MG MG A 601 8.527 7.346 -7.816 1.00 0.00 MG