USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 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 48 GLN : amide:sc= 0.337 K(o=1.1,f=-1.6!) USER MOD Set 1.2: A 66 THR OG1 : rot 126:sc= 0.714 USER MOD Set 1.3: A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0268 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.262 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 66:sc= 1.16 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 90:sc= -4.12! USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00364 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.513 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -0.0295 (180deg=-0.223) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot -8:sc= -0.292 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -156:sc= -0.238 (180deg=-0.886) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.421 -5.381 -6.202 1.00 0.00 N ATOM 2 CA GLY A 1 6.252 -6.222 -6.384 1.00 0.00 C ATOM 3 C GLY A 1 6.507 -7.372 -7.338 1.00 0.00 C ATOM 4 O GLY A 1 7.288 -7.243 -8.281 1.00 0.00 O ATOM 0 H1 GLY A 1 7.150 -4.382 -6.304 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.816 -5.537 -5.253 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.136 -5.621 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.939 -6.618 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.428 -5.617 -6.762 1.00 0.00 H new ATOM 8 N SER A 2 5.848 -8.500 -7.093 1.00 0.00 N ATOM 9 CA SER A 2 6.012 -9.679 -7.934 1.00 0.00 C ATOM 10 C SER A 2 4.726 -10.500 -7.976 1.00 0.00 C ATOM 11 O SER A 2 3.832 -10.314 -7.151 1.00 0.00 O ATOM 12 CB SER A 2 7.165 -10.543 -7.418 1.00 0.00 C ATOM 13 OG SER A 2 8.418 -10.002 -7.800 1.00 0.00 O ATOM 0 H SER A 2 5.195 -8.622 -6.319 1.00 0.00 H new ATOM 0 HA SER A 2 6.242 -9.344 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.112 -10.614 -6.332 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.068 -11.556 -7.809 1.00 0.00 H new ATOM 0 HG SER A 2 8.293 -9.087 -8.128 1.00 0.00 H new ATOM 19 N SER A 3 4.642 -11.407 -8.944 1.00 0.00 N ATOM 20 CA SER A 3 3.465 -12.254 -9.097 1.00 0.00 C ATOM 21 C SER A 3 3.867 -13.712 -9.294 1.00 0.00 C ATOM 22 O SER A 3 4.996 -14.010 -9.683 1.00 0.00 O ATOM 23 CB SER A 3 2.621 -11.781 -10.282 1.00 0.00 C ATOM 24 OG SER A 3 1.262 -12.147 -10.119 1.00 0.00 O ATOM 0 H SER A 3 5.375 -11.574 -9.634 1.00 0.00 H new ATOM 0 HA SER A 3 2.873 -12.179 -8.185 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.700 -10.698 -10.379 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.009 -12.213 -11.204 1.00 0.00 H new ATOM 0 HG SER A 3 0.744 -11.832 -10.889 1.00 0.00 H new ATOM 30 N GLY A 4 2.933 -14.619 -9.023 1.00 0.00 N ATOM 31 CA GLY A 4 3.208 -16.036 -9.177 1.00 0.00 C ATOM 32 C GLY A 4 3.284 -16.458 -10.630 1.00 0.00 C ATOM 33 O GLY A 4 2.315 -16.977 -11.185 1.00 0.00 O ATOM 0 H GLY A 4 1.991 -14.398 -8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.149 -16.276 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.429 -16.611 -8.675 1.00 0.00 H new ATOM 37 N SER A 5 4.438 -16.234 -11.251 1.00 0.00 N ATOM 38 CA SER A 5 4.635 -16.589 -12.651 1.00 0.00 C ATOM 39 C SER A 5 4.287 -18.055 -12.893 1.00 0.00 C ATOM 40 O SER A 5 4.753 -18.941 -12.178 1.00 0.00 O ATOM 41 CB SER A 5 6.082 -16.321 -13.069 1.00 0.00 C ATOM 42 OG SER A 5 6.286 -16.639 -14.434 1.00 0.00 O ATOM 0 H SER A 5 5.251 -15.808 -10.806 1.00 0.00 H new ATOM 0 HA SER A 5 3.970 -15.971 -13.254 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.325 -15.273 -12.896 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.758 -16.911 -12.450 1.00 0.00 H new ATOM 0 HG SER A 5 7.218 -16.457 -14.676 1.00 0.00 H new ATOM 48 N SER A 6 3.465 -18.301 -13.908 1.00 0.00 N ATOM 49 CA SER A 6 3.050 -19.659 -14.243 1.00 0.00 C ATOM 50 C SER A 6 2.713 -20.451 -12.984 1.00 0.00 C ATOM 51 O SER A 6 3.079 -21.618 -12.855 1.00 0.00 O ATOM 52 CB SER A 6 4.153 -20.372 -15.028 1.00 0.00 C ATOM 53 OG SER A 6 5.077 -20.997 -14.155 1.00 0.00 O ATOM 0 H SER A 6 3.073 -17.579 -14.512 1.00 0.00 H new ATOM 0 HA SER A 6 2.155 -19.597 -14.862 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.710 -21.118 -15.688 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.675 -19.655 -15.662 1.00 0.00 H new ATOM 0 HG SER A 6 4.628 -21.718 -13.665 1.00 0.00 H new ATOM 59 N GLY A 7 2.012 -19.806 -12.057 1.00 0.00 N ATOM 60 CA GLY A 7 1.636 -20.464 -10.819 1.00 0.00 C ATOM 61 C GLY A 7 0.155 -20.339 -10.522 1.00 0.00 C ATOM 62 O GLY A 7 -0.576 -19.657 -11.242 1.00 0.00 O ATOM 0 H GLY A 7 1.698 -18.839 -12.141 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.904 -21.519 -10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.206 -20.034 -9.995 1.00 0.00 H new ATOM 66 N THR A 8 -0.292 -21.000 -9.459 1.00 0.00 N ATOM 67 CA THR A 8 -1.696 -20.963 -9.070 1.00 0.00 C ATOM 68 C THR A 8 -1.865 -21.278 -7.588 1.00 0.00 C ATOM 69 O THR A 8 -1.124 -22.085 -7.027 1.00 0.00 O ATOM 70 CB THR A 8 -2.534 -21.959 -9.894 1.00 0.00 C ATOM 71 OG1 THR A 8 -3.774 -22.224 -9.228 1.00 0.00 O ATOM 72 CG2 THR A 8 -1.776 -23.261 -10.102 1.00 0.00 C ATOM 0 H THR A 8 0.299 -21.568 -8.852 1.00 0.00 H new ATOM 0 HA THR A 8 -2.051 -19.951 -9.266 1.00 0.00 H new ATOM 0 HB THR A 8 -2.733 -21.513 -10.869 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.302 -22.857 -9.759 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.387 -23.949 -10.686 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.846 -23.060 -10.635 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.550 -23.709 -9.134 1.00 0.00 H new ATOM 80 N ASP A 9 -2.844 -20.637 -6.960 1.00 0.00 N ATOM 81 CA ASP A 9 -3.111 -20.851 -5.542 1.00 0.00 C ATOM 82 C ASP A 9 -4.539 -21.341 -5.326 1.00 0.00 C ATOM 83 O ASP A 9 -5.453 -21.023 -6.088 1.00 0.00 O ATOM 84 CB ASP A 9 -2.878 -19.559 -4.757 1.00 0.00 C ATOM 85 CG ASP A 9 -1.701 -18.764 -5.287 1.00 0.00 C ATOM 86 OD1 ASP A 9 -1.888 -18.006 -6.262 1.00 0.00 O ATOM 87 OD2 ASP A 9 -0.594 -18.898 -4.726 1.00 0.00 O ATOM 0 H ASP A 9 -3.466 -19.965 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.425 -21.616 -5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.777 -18.944 -4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.707 -19.800 -3.708 1.00 0.00 H new ATOM 92 N PRO A 10 -4.738 -22.135 -4.264 1.00 0.00 N ATOM 93 CA PRO A 10 -6.053 -22.687 -3.923 1.00 0.00 C ATOM 94 C PRO A 10 -7.020 -21.617 -3.428 1.00 0.00 C ATOM 95 O PRO A 10 -6.632 -20.706 -2.698 1.00 0.00 O ATOM 96 CB PRO A 10 -5.740 -23.685 -2.805 1.00 0.00 C ATOM 97 CG PRO A 10 -4.478 -23.184 -2.193 1.00 0.00 C ATOM 98 CD PRO A 10 -3.695 -22.556 -3.313 1.00 0.00 C ATOM 0 HA PRO A 10 -6.544 -23.135 -4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.546 -23.725 -2.073 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.616 -24.694 -3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.687 -22.458 -1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.917 -23.998 -1.733 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.104 -21.709 -2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.001 -23.265 -3.765 1.00 0.00 H new ATOM 106 N GLY A 11 -8.282 -21.735 -3.829 1.00 0.00 N ATOM 107 CA GLY A 11 -9.285 -20.771 -3.415 1.00 0.00 C ATOM 108 C GLY A 11 -9.494 -19.675 -4.441 1.00 0.00 C ATOM 109 O GLY A 11 -8.532 -19.090 -4.938 1.00 0.00 O ATOM 0 H GLY A 11 -8.628 -22.481 -4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.230 -21.286 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.986 -20.324 -2.467 1.00 0.00 H new ATOM 113 N ALA A 12 -10.753 -19.397 -4.760 1.00 0.00 N ATOM 114 CA ALA A 12 -11.085 -18.364 -5.734 1.00 0.00 C ATOM 115 C ALA A 12 -11.409 -17.043 -5.043 1.00 0.00 C ATOM 116 O ALA A 12 -12.318 -16.324 -5.456 1.00 0.00 O ATOM 117 CB ALA A 12 -12.254 -18.810 -6.600 1.00 0.00 C ATOM 0 H ALA A 12 -11.561 -19.873 -4.358 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.215 -18.207 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.491 -18.029 -7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.987 -19.725 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.123 -18.997 -5.970 1.00 0.00 H new ATOM 123 N GLU A 13 -10.660 -16.732 -3.990 1.00 0.00 N ATOM 124 CA GLU A 13 -10.871 -15.498 -3.242 1.00 0.00 C ATOM 125 C GLU A 13 -9.567 -15.013 -2.614 1.00 0.00 C ATOM 126 O GLU A 13 -8.536 -15.677 -2.711 1.00 0.00 O ATOM 127 CB GLU A 13 -11.926 -15.708 -2.154 1.00 0.00 C ATOM 128 CG GLU A 13 -11.567 -16.801 -1.161 1.00 0.00 C ATOM 129 CD GLU A 13 -12.560 -16.900 -0.019 1.00 0.00 C ATOM 130 OE1 GLU A 13 -12.883 -15.851 0.578 1.00 0.00 O ATOM 131 OE2 GLU A 13 -13.012 -18.025 0.279 1.00 0.00 O ATOM 0 H GLU A 13 -9.903 -17.316 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.224 -14.738 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.071 -14.772 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.877 -15.955 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.520 -17.758 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.573 -16.608 -0.758 1.00 0.00 H new ATOM 138 N GLU A 14 -9.623 -13.850 -1.972 1.00 0.00 N ATOM 139 CA GLU A 14 -8.446 -13.276 -1.330 1.00 0.00 C ATOM 140 C GLU A 14 -8.779 -12.784 0.076 1.00 0.00 C ATOM 141 O GLU A 14 -9.911 -12.388 0.355 1.00 0.00 O ATOM 142 CB GLU A 14 -7.892 -12.122 -2.168 1.00 0.00 C ATOM 143 CG GLU A 14 -6.974 -12.572 -3.292 1.00 0.00 C ATOM 144 CD GLU A 14 -5.744 -13.299 -2.785 1.00 0.00 C ATOM 145 OE1 GLU A 14 -4.861 -12.636 -2.203 1.00 0.00 O ATOM 146 OE2 GLU A 14 -5.665 -14.532 -2.971 1.00 0.00 O ATOM 0 H GLU A 14 -10.469 -13.288 -1.883 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.689 -14.056 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.724 -11.560 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.347 -11.440 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.526 -13.226 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.664 -11.703 -3.873 1.00 0.00 H new ATOM 153 N LEU A 15 -7.785 -12.814 0.957 1.00 0.00 N ATOM 154 CA LEU A 15 -7.971 -12.372 2.335 1.00 0.00 C ATOM 155 C LEU A 15 -8.459 -10.927 2.382 1.00 0.00 C ATOM 156 O LEU A 15 -8.212 -10.133 1.474 1.00 0.00 O ATOM 157 CB LEU A 15 -6.662 -12.505 3.115 1.00 0.00 C ATOM 158 CG LEU A 15 -6.239 -13.930 3.476 1.00 0.00 C ATOM 159 CD1 LEU A 15 -4.781 -13.960 3.907 1.00 0.00 C ATOM 160 CD2 LEU A 15 -7.133 -14.490 4.572 1.00 0.00 C ATOM 0 H LEU A 15 -6.843 -13.140 0.742 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.728 -13.007 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.865 -12.048 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.751 -11.929 4.036 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.348 -14.557 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.497 -14.982 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.153 -13.600 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.646 -13.319 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.818 -15.504 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.056 -13.863 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.167 -14.505 4.226 1.00 0.00 H new ATOM 172 N PRO A 16 -9.167 -10.577 3.466 1.00 0.00 N ATOM 173 CA PRO A 16 -9.702 -9.226 3.659 1.00 0.00 C ATOM 174 C PRO A 16 -8.605 -8.200 3.923 1.00 0.00 C ATOM 175 O PRO A 16 -7.873 -8.299 4.907 1.00 0.00 O ATOM 176 CB PRO A 16 -10.603 -9.373 4.887 1.00 0.00 C ATOM 177 CG PRO A 16 -10.043 -10.536 5.631 1.00 0.00 C ATOM 178 CD PRO A 16 -9.499 -11.472 4.587 1.00 0.00 C ATOM 0 HA PRO A 16 -10.222 -8.864 2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.591 -8.470 5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.639 -9.549 4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.258 -10.219 6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.812 -11.024 6.230 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.621 -12.008 4.947 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.235 -12.223 4.298 1.00 0.00 H new ATOM 186 N ALA A 17 -8.497 -7.215 3.038 1.00 0.00 N ATOM 187 CA ALA A 17 -7.491 -6.169 3.177 1.00 0.00 C ATOM 188 C ALA A 17 -8.134 -4.831 3.524 1.00 0.00 C ATOM 189 O ALA A 17 -8.737 -4.181 2.669 1.00 0.00 O ATOM 190 CB ALA A 17 -6.674 -6.049 1.899 1.00 0.00 C ATOM 0 H ALA A 17 -9.094 -7.119 2.217 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.826 -6.445 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.927 -5.264 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.176 -6.997 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.333 -5.800 1.068 1.00 0.00 H new ATOM 196 N ARG A 18 -8.003 -4.425 4.782 1.00 0.00 N ATOM 197 CA ARG A 18 -8.573 -3.164 5.242 1.00 0.00 C ATOM 198 C ARG A 18 -8.232 -2.030 4.279 1.00 0.00 C ATOM 199 O ARG A 18 -7.072 -1.639 4.153 1.00 0.00 O ATOM 200 CB ARG A 18 -8.061 -2.829 6.644 1.00 0.00 C ATOM 201 CG ARG A 18 -8.538 -3.797 7.714 1.00 0.00 C ATOM 202 CD ARG A 18 -7.719 -3.666 8.988 1.00 0.00 C ATOM 203 NE ARG A 18 -8.133 -2.517 9.789 1.00 0.00 N ATOM 204 CZ ARG A 18 -7.726 -2.305 11.036 1.00 0.00 C ATOM 205 NH1 ARG A 18 -6.897 -3.159 11.620 1.00 0.00 N ATOM 206 NH2 ARG A 18 -8.146 -1.236 11.700 1.00 0.00 N ATOM 0 H ARG A 18 -7.507 -4.951 5.502 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.657 -3.275 5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.971 -2.823 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.383 -1.822 6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.589 -3.608 7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.469 -4.818 7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.821 -4.576 9.580 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.664 -3.568 8.732 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.769 -1.840 9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.570 -3.981 11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.586 -2.994 12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.782 -0.576 11.253 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.833 -1.075 12.657 1.00 0.00 H new ATOM 220 N ILE A 19 -9.250 -1.508 3.604 1.00 0.00 N ATOM 221 CA ILE A 19 -9.058 -0.419 2.654 1.00 0.00 C ATOM 222 C ILE A 19 -8.877 0.913 3.373 1.00 0.00 C ATOM 223 O ILE A 19 -9.826 1.464 3.930 1.00 0.00 O ATOM 224 CB ILE A 19 -10.245 -0.306 1.679 1.00 0.00 C ATOM 225 CG1 ILE A 19 -10.480 -1.641 0.970 1.00 0.00 C ATOM 226 CG2 ILE A 19 -9.995 0.802 0.666 1.00 0.00 C ATOM 227 CD1 ILE A 19 -9.259 -2.163 0.245 1.00 0.00 C ATOM 0 H ILE A 19 -10.216 -1.821 3.697 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.155 -0.650 2.089 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.141 -0.056 2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.801 -2.381 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.295 -1.525 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.843 0.869 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.873 1.751 1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.090 0.580 0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.499 -3.112 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.949 -1.442 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.448 -2.311 0.958 1.00 0.00 H new ATOM 239 N PHE A 20 -7.651 1.426 3.357 1.00 0.00 N ATOM 240 CA PHE A 20 -7.344 2.695 4.007 1.00 0.00 C ATOM 241 C PHE A 20 -7.019 3.771 2.975 1.00 0.00 C ATOM 242 O PHE A 20 -6.225 3.549 2.061 1.00 0.00 O ATOM 243 CB PHE A 20 -6.170 2.526 4.973 1.00 0.00 C ATOM 244 CG PHE A 20 -6.587 2.147 6.365 1.00 0.00 C ATOM 245 CD1 PHE A 20 -7.394 1.042 6.583 1.00 0.00 C ATOM 246 CD2 PHE A 20 -6.174 2.897 7.454 1.00 0.00 C ATOM 247 CE1 PHE A 20 -7.780 0.690 7.863 1.00 0.00 C ATOM 248 CE2 PHE A 20 -6.557 2.550 8.736 1.00 0.00 C ATOM 249 CZ PHE A 20 -7.361 1.446 8.941 1.00 0.00 C ATOM 0 H PHE A 20 -6.854 0.982 2.901 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.224 3.010 4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.497 1.762 4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.606 3.458 5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.725 0.449 5.743 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.546 3.762 7.300 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.408 -0.174 8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.228 3.142 9.577 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.662 1.174 9.942 1.00 0.00 H new ATOM 259 N VAL A 21 -7.639 4.936 3.128 1.00 0.00 N ATOM 260 CA VAL A 21 -7.416 6.047 2.211 1.00 0.00 C ATOM 261 C VAL A 21 -6.479 7.084 2.821 1.00 0.00 C ATOM 262 O VAL A 21 -6.535 7.357 4.019 1.00 0.00 O ATOM 263 CB VAL A 21 -8.740 6.732 1.825 1.00 0.00 C ATOM 264 CG1 VAL A 21 -9.237 7.612 2.963 1.00 0.00 C ATOM 265 CG2 VAL A 21 -8.569 7.543 0.550 1.00 0.00 C ATOM 0 H VAL A 21 -8.300 5.135 3.879 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.957 5.629 1.315 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.487 5.960 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.174 8.088 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.401 7.001 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.493 8.378 3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.515 8.020 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.807 8.307 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.262 6.884 -0.262 1.00 0.00 H new ATOM 275 N ALA A 22 -5.618 7.659 1.987 1.00 0.00 N ATOM 276 CA ALA A 22 -4.670 8.668 2.443 1.00 0.00 C ATOM 277 C ALA A 22 -5.358 10.012 2.654 1.00 0.00 C ATOM 278 O ALA A 22 -6.067 10.503 1.773 1.00 0.00 O ATOM 279 CB ALA A 22 -3.528 8.807 1.448 1.00 0.00 C ATOM 0 H ALA A 22 -5.558 7.443 0.992 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.264 8.343 3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.828 9.564 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.012 7.852 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.925 9.105 0.478 1.00 0.00 H new ATOM 285 N LEU A 23 -5.147 10.603 3.824 1.00 0.00 N ATOM 286 CA LEU A 23 -5.748 11.892 4.151 1.00 0.00 C ATOM 287 C LEU A 23 -4.844 13.040 3.714 1.00 0.00 C ATOM 288 O LEU A 23 -5.309 14.157 3.483 1.00 0.00 O ATOM 289 CB LEU A 23 -6.020 11.984 5.653 1.00 0.00 C ATOM 290 CG LEU A 23 -6.891 10.877 6.247 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.994 11.030 7.756 1.00 0.00 C ATOM 292 CD2 LEU A 23 -8.274 10.888 5.612 1.00 0.00 C ATOM 0 H LEU A 23 -4.564 10.210 4.563 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.692 11.972 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.063 11.986 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.497 12.943 5.857 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.422 9.917 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.618 10.233 8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.999 10.971 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.439 11.996 7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.880 10.093 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.751 11.851 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.182 10.728 4.538 1.00 0.00 H new ATOM 304 N PHE A 24 -3.550 12.758 3.602 1.00 0.00 N ATOM 305 CA PHE A 24 -2.581 13.767 3.192 1.00 0.00 C ATOM 306 C PHE A 24 -1.372 13.120 2.523 1.00 0.00 C ATOM 307 O PHE A 24 -0.854 12.108 2.998 1.00 0.00 O ATOM 308 CB PHE A 24 -2.129 14.591 4.400 1.00 0.00 C ATOM 309 CG PHE A 24 -3.193 14.752 5.448 1.00 0.00 C ATOM 310 CD1 PHE A 24 -4.155 15.743 5.331 1.00 0.00 C ATOM 311 CD2 PHE A 24 -3.231 13.913 6.550 1.00 0.00 C ATOM 312 CE1 PHE A 24 -5.136 15.893 6.293 1.00 0.00 C ATOM 313 CE2 PHE A 24 -4.209 14.059 7.515 1.00 0.00 C ATOM 314 CZ PHE A 24 -5.162 15.051 7.387 1.00 0.00 C ATOM 0 H PHE A 24 -3.149 11.839 3.789 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.064 14.426 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.257 14.115 4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.813 15.577 4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.138 16.406 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.488 13.136 6.656 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.881 16.668 6.189 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.228 13.398 8.369 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.926 15.168 8.141 1.00 0.00 H new ATOM 324 N ASP A 25 -0.928 13.710 1.419 1.00 0.00 N ATOM 325 CA ASP A 25 0.220 13.191 0.684 1.00 0.00 C ATOM 326 C ASP A 25 1.303 12.703 1.641 1.00 0.00 C ATOM 327 O ASP A 25 1.400 13.172 2.776 1.00 0.00 O ATOM 328 CB ASP A 25 0.788 14.268 -0.242 1.00 0.00 C ATOM 329 CG ASP A 25 -0.285 14.939 -1.076 1.00 0.00 C ATOM 330 OD1 ASP A 25 -1.010 15.798 -0.531 1.00 0.00 O ATOM 331 OD2 ASP A 25 -0.399 14.606 -2.274 1.00 0.00 O ATOM 0 H ASP A 25 -1.345 14.548 1.013 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.116 12.346 0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.304 15.020 0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.531 13.820 -0.903 1.00 0.00 H new ATOM 336 N TYR A 26 2.114 11.759 1.177 1.00 0.00 N ATOM 337 CA TYR A 26 3.188 11.205 1.993 1.00 0.00 C ATOM 338 C TYR A 26 4.446 10.982 1.160 1.00 0.00 C ATOM 339 O TYR A 26 4.463 10.151 0.251 1.00 0.00 O ATOM 340 CB TYR A 26 2.744 9.887 2.630 1.00 0.00 C ATOM 341 CG TYR A 26 3.862 9.144 3.326 1.00 0.00 C ATOM 342 CD1 TYR A 26 4.857 9.830 4.012 1.00 0.00 C ATOM 343 CD2 TYR A 26 3.923 7.756 3.299 1.00 0.00 C ATOM 344 CE1 TYR A 26 5.881 9.155 4.649 1.00 0.00 C ATOM 345 CE2 TYR A 26 4.942 7.073 3.935 1.00 0.00 C ATOM 346 CZ TYR A 26 5.919 7.777 4.607 1.00 0.00 C ATOM 347 OH TYR A 26 6.936 7.102 5.242 1.00 0.00 O ATOM 0 H TYR A 26 2.048 11.361 0.240 1.00 0.00 H new ATOM 0 HA TYR A 26 3.419 11.922 2.781 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.951 10.090 3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.318 9.246 1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.830 10.909 4.048 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.161 7.201 2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.647 9.704 5.177 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.973 5.994 3.906 1.00 0.00 H new ATOM 0 HH TYR A 26 6.671 6.905 6.165 1.00 0.00 H new ATOM 357 N ASP A 27 5.497 11.730 1.477 1.00 0.00 N ATOM 358 CA ASP A 27 6.762 11.614 0.759 1.00 0.00 C ATOM 359 C ASP A 27 7.892 11.228 1.709 1.00 0.00 C ATOM 360 O ASP A 27 8.452 12.063 2.418 1.00 0.00 O ATOM 361 CB ASP A 27 7.097 12.931 0.057 1.00 0.00 C ATOM 362 CG ASP A 27 7.998 12.733 -1.146 1.00 0.00 C ATOM 363 OD1 ASP A 27 9.199 12.453 -0.947 1.00 0.00 O ATOM 364 OD2 ASP A 27 7.504 12.859 -2.286 1.00 0.00 O ATOM 0 H ASP A 27 5.499 12.423 2.226 1.00 0.00 H new ATOM 0 HA ASP A 27 6.656 10.829 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.174 13.415 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.583 13.603 0.764 1.00 0.00 H new ATOM 369 N PRO A 28 8.235 9.931 1.725 1.00 0.00 N ATOM 370 CA PRO A 28 9.300 9.405 2.583 1.00 0.00 C ATOM 371 C PRO A 28 10.684 9.866 2.138 1.00 0.00 C ATOM 372 O PRO A 28 11.687 9.570 2.789 1.00 0.00 O ATOM 373 CB PRO A 28 9.165 7.888 2.425 1.00 0.00 C ATOM 374 CG PRO A 28 8.524 7.701 1.093 1.00 0.00 C ATOM 375 CD PRO A 28 7.609 8.879 0.905 1.00 0.00 C ATOM 0 HA PRO A 28 9.203 9.751 3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.137 7.397 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.556 7.460 3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.273 7.658 0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.967 6.765 1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.542 9.173 -0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.595 8.658 1.240 1.00 0.00 H new ATOM 383 N LEU A 29 10.731 10.593 1.028 1.00 0.00 N ATOM 384 CA LEU A 29 11.993 11.096 0.496 1.00 0.00 C ATOM 385 C LEU A 29 12.313 12.475 1.066 1.00 0.00 C ATOM 386 O LEU A 29 13.478 12.858 1.179 1.00 0.00 O ATOM 387 CB LEU A 29 11.935 11.164 -1.031 1.00 0.00 C ATOM 388 CG LEU A 29 11.238 9.995 -1.728 1.00 0.00 C ATOM 389 CD1 LEU A 29 11.158 10.240 -3.227 1.00 0.00 C ATOM 390 CD2 LEU A 29 11.965 8.690 -1.437 1.00 0.00 C ATOM 0 H LEU A 29 9.910 10.848 0.478 1.00 0.00 H new ATOM 0 HA LEU A 29 12.784 10.407 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.427 12.086 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.954 11.232 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 29 10.223 9.917 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.659 9.398 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.593 11.153 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.164 10.345 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.455 7.869 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.991 8.757 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.970 8.508 -0.362 1.00 0.00 H new ATOM 402 N THR A 30 11.270 13.217 1.426 1.00 0.00 N ATOM 403 CA THR A 30 11.439 14.552 1.985 1.00 0.00 C ATOM 404 C THR A 30 11.033 14.589 3.454 1.00 0.00 C ATOM 405 O THR A 30 11.561 15.380 4.234 1.00 0.00 O ATOM 406 CB THR A 30 10.612 15.595 1.210 1.00 0.00 C ATOM 407 OG1 THR A 30 9.219 15.427 1.497 1.00 0.00 O ATOM 408 CG2 THR A 30 10.845 15.466 -0.288 1.00 0.00 C ATOM 0 H THR A 30 10.299 12.915 1.340 1.00 0.00 H new ATOM 0 HA THR A 30 12.497 14.799 1.897 1.00 0.00 H new ATOM 0 HB THR A 30 10.931 16.588 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.700 16.095 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.251 16.213 -0.814 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.901 15.623 -0.507 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.550 14.470 -0.618 1.00 0.00 H new ATOM 416 N MET A 31 10.092 13.727 3.824 1.00 0.00 N ATOM 417 CA MET A 31 9.617 13.660 5.202 1.00 0.00 C ATOM 418 C MET A 31 10.613 12.916 6.085 1.00 0.00 C ATOM 419 O MET A 31 11.188 13.491 7.009 1.00 0.00 O ATOM 420 CB MET A 31 8.252 12.970 5.260 1.00 0.00 C ATOM 421 CG MET A 31 7.149 13.746 4.559 1.00 0.00 C ATOM 422 SD MET A 31 5.502 13.276 5.124 1.00 0.00 S ATOM 423 CE MET A 31 4.516 14.603 4.435 1.00 0.00 C ATOM 0 H MET A 31 9.643 13.066 3.190 1.00 0.00 H new ATOM 0 HA MET A 31 9.518 14.679 5.576 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.334 11.982 4.807 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.973 12.821 6.303 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.296 14.813 4.728 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.221 13.581 3.484 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.469 14.453 4.699 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.859 15.557 4.836 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.619 14.608 3.350 1.00 0.00 H new ATOM 433 N SER A 32 10.813 11.634 5.795 1.00 0.00 N ATOM 434 CA SER A 32 11.737 10.811 6.566 1.00 0.00 C ATOM 435 C SER A 32 13.177 11.269 6.356 1.00 0.00 C ATOM 436 O SER A 32 13.588 11.622 5.250 1.00 0.00 O ATOM 437 CB SER A 32 11.595 9.340 6.171 1.00 0.00 C ATOM 438 OG SER A 32 11.997 8.486 7.228 1.00 0.00 O ATOM 0 H SER A 32 10.347 11.143 5.032 1.00 0.00 H new ATOM 0 HA SER A 32 11.489 10.922 7.622 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.559 9.130 5.904 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.199 9.138 5.287 1.00 0.00 H new ATOM 0 HG SER A 32 11.895 7.552 6.951 1.00 0.00 H new ATOM 444 N PRO A 33 13.964 11.263 7.442 1.00 0.00 N ATOM 445 CA PRO A 33 15.370 11.674 7.404 1.00 0.00 C ATOM 446 C PRO A 33 16.244 10.680 6.646 1.00 0.00 C ATOM 447 O PRO A 33 17.000 11.060 5.753 1.00 0.00 O ATOM 448 CB PRO A 33 15.768 11.717 8.881 1.00 0.00 C ATOM 449 CG PRO A 33 14.835 10.769 9.553 1.00 0.00 C ATOM 450 CD PRO A 33 13.540 10.854 8.792 1.00 0.00 C ATOM 0 HA PRO A 33 15.503 12.623 6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.806 11.416 9.020 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.671 12.723 9.288 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.231 9.754 9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.691 11.038 10.599 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.019 9.897 8.777 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.859 11.580 9.237 1.00 0.00 H new ATOM 458 N ASN A 34 16.134 9.406 7.008 1.00 0.00 N ATOM 459 CA ASN A 34 16.915 8.358 6.362 1.00 0.00 C ATOM 460 C ASN A 34 16.347 8.027 4.985 1.00 0.00 C ATOM 461 O ASN A 34 15.195 7.616 4.844 1.00 0.00 O ATOM 462 CB ASN A 34 16.937 7.100 7.232 1.00 0.00 C ATOM 463 CG ASN A 34 18.119 7.075 8.182 1.00 0.00 C ATOM 464 OD1 ASN A 34 18.076 7.670 9.259 1.00 0.00 O ATOM 465 ND2 ASN A 34 19.182 6.385 7.786 1.00 0.00 N ATOM 0 H ASN A 34 15.512 9.075 7.745 1.00 0.00 H new ATOM 0 HA ASN A 34 17.934 8.724 6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.012 7.042 7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.971 6.219 6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 34 20.007 6.333 8.383 1.00 0.00 H new ATOM 0 HD22 ASN A 34 19.173 5.907 6.885 1.00 0.00 H new ATOM 472 N PRO A 35 17.173 8.209 3.944 1.00 0.00 N ATOM 473 CA PRO A 35 16.776 7.935 2.560 1.00 0.00 C ATOM 474 C PRO A 35 16.606 6.444 2.290 1.00 0.00 C ATOM 475 O PRO A 35 15.726 6.037 1.532 1.00 0.00 O ATOM 476 CB PRO A 35 17.938 8.498 1.739 1.00 0.00 C ATOM 477 CG PRO A 35 19.109 8.454 2.660 1.00 0.00 C ATOM 478 CD PRO A 35 18.560 8.696 4.039 1.00 0.00 C ATOM 0 HA PRO A 35 15.811 8.379 2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.116 7.902 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.732 9.516 1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.613 7.489 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.844 9.214 2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 35 19.125 8.154 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.598 9.752 4.307 1.00 0.00 H new ATOM 486 N ASP A 36 17.453 5.634 2.916 1.00 0.00 N ATOM 487 CA ASP A 36 17.395 4.187 2.744 1.00 0.00 C ATOM 488 C ASP A 36 16.212 3.596 3.505 1.00 0.00 C ATOM 489 O ASP A 36 15.510 2.722 2.998 1.00 0.00 O ATOM 490 CB ASP A 36 18.698 3.543 3.222 1.00 0.00 C ATOM 491 CG ASP A 36 19.808 3.653 2.196 1.00 0.00 C ATOM 492 OD1 ASP A 36 19.515 3.532 0.988 1.00 0.00 O ATOM 493 OD2 ASP A 36 20.971 3.862 2.602 1.00 0.00 O ATOM 0 H ASP A 36 18.188 5.955 3.547 1.00 0.00 H new ATOM 0 HA ASP A 36 17.262 3.977 1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.016 4.019 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.519 2.492 3.448 1.00 0.00 H new ATOM 498 N ALA A 37 15.999 4.079 4.725 1.00 0.00 N ATOM 499 CA ALA A 37 14.901 3.599 5.555 1.00 0.00 C ATOM 500 C ALA A 37 13.556 3.839 4.878 1.00 0.00 C ATOM 501 O ALA A 37 12.651 3.008 4.962 1.00 0.00 O ATOM 502 CB ALA A 37 14.936 4.274 6.918 1.00 0.00 C ATOM 0 H ALA A 37 16.572 4.802 5.160 1.00 0.00 H new ATOM 0 HA ALA A 37 15.023 2.524 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 37 14.111 3.906 7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 37 15.881 4.047 7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.842 5.353 6.792 1.00 0.00 H new ATOM 508 N ALA A 38 13.431 4.980 4.208 1.00 0.00 N ATOM 509 CA ALA A 38 12.196 5.328 3.516 1.00 0.00 C ATOM 510 C ALA A 38 11.704 4.169 2.654 1.00 0.00 C ATOM 511 O ALA A 38 10.507 3.890 2.599 1.00 0.00 O ATOM 512 CB ALA A 38 12.401 6.571 2.664 1.00 0.00 C ATOM 0 H ALA A 38 14.170 5.679 4.130 1.00 0.00 H new ATOM 0 HA ALA A 38 11.434 5.537 4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.471 6.819 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.699 7.404 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.181 6.382 1.926 1.00 0.00 H new ATOM 518 N GLU A 39 12.636 3.500 1.983 1.00 0.00 N ATOM 519 CA GLU A 39 12.296 2.372 1.123 1.00 0.00 C ATOM 520 C GLU A 39 11.201 1.517 1.755 1.00 0.00 C ATOM 521 O GLU A 39 10.220 1.165 1.101 1.00 0.00 O ATOM 522 CB GLU A 39 13.535 1.516 0.853 1.00 0.00 C ATOM 523 CG GLU A 39 14.412 2.051 -0.266 1.00 0.00 C ATOM 524 CD GLU A 39 15.731 1.310 -0.379 1.00 0.00 C ATOM 525 OE1 GLU A 39 16.369 1.072 0.667 1.00 0.00 O ATOM 526 OE2 GLU A 39 16.123 0.969 -1.515 1.00 0.00 O ATOM 0 H GLU A 39 13.632 3.719 2.018 1.00 0.00 H new ATOM 0 HA GLU A 39 11.924 2.768 0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.126 1.449 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.219 0.503 0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.875 1.975 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.608 3.110 -0.095 1.00 0.00 H new ATOM 533 N GLU A 40 11.379 1.187 3.031 1.00 0.00 N ATOM 534 CA GLU A 40 10.407 0.372 3.750 1.00 0.00 C ATOM 535 C GLU A 40 9.035 1.040 3.757 1.00 0.00 C ATOM 536 O GLU A 40 8.007 0.370 3.673 1.00 0.00 O ATOM 537 CB GLU A 40 10.876 0.129 5.186 1.00 0.00 C ATOM 538 CG GLU A 40 12.201 -0.609 5.277 1.00 0.00 C ATOM 539 CD GLU A 40 12.031 -2.116 5.268 1.00 0.00 C ATOM 540 OE1 GLU A 40 11.030 -2.598 4.699 1.00 0.00 O ATOM 541 OE2 GLU A 40 12.902 -2.813 5.831 1.00 0.00 O ATOM 0 H GLU A 40 12.186 1.471 3.587 1.00 0.00 H new ATOM 0 HA GLU A 40 10.322 -0.585 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.968 1.088 5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.114 -0.443 5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.835 -0.314 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.717 -0.311 6.190 1.00 0.00 H new ATOM 548 N GLU A 41 9.030 2.366 3.859 1.00 0.00 N ATOM 549 CA GLU A 41 7.785 3.125 3.879 1.00 0.00 C ATOM 550 C GLU A 41 7.156 3.175 2.490 1.00 0.00 C ATOM 551 O GLU A 41 7.855 3.302 1.484 1.00 0.00 O ATOM 552 CB GLU A 41 8.036 4.546 4.389 1.00 0.00 C ATOM 553 CG GLU A 41 8.244 4.626 5.892 1.00 0.00 C ATOM 554 CD GLU A 41 8.969 5.889 6.314 1.00 0.00 C ATOM 555 OE1 GLU A 41 9.838 6.359 5.550 1.00 0.00 O ATOM 556 OE2 GLU A 41 8.667 6.407 7.410 1.00 0.00 O ATOM 0 H GLU A 41 9.873 2.936 3.929 1.00 0.00 H new ATOM 0 HA GLU A 41 7.093 2.621 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.914 4.953 3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.190 5.176 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.276 4.583 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.813 3.757 6.223 1.00 0.00 H new ATOM 563 N LEU A 42 5.832 3.073 2.443 1.00 0.00 N ATOM 564 CA LEU A 42 5.107 3.106 1.177 1.00 0.00 C ATOM 565 C LEU A 42 4.521 4.490 0.921 1.00 0.00 C ATOM 566 O LEU A 42 3.557 4.911 1.561 1.00 0.00 O ATOM 567 CB LEU A 42 3.992 2.059 1.179 1.00 0.00 C ATOM 568 CG LEU A 42 3.646 1.444 -0.178 1.00 0.00 C ATOM 569 CD1 LEU A 42 2.514 0.439 -0.036 1.00 0.00 C ATOM 570 CD2 LEU A 42 3.275 2.531 -1.177 1.00 0.00 C ATOM 0 H LEU A 42 5.239 2.967 3.266 1.00 0.00 H new ATOM 0 HA LEU A 42 5.811 2.877 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.277 1.255 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.091 2.517 1.588 1.00 0.00 H new ATOM 0 HG LEU A 42 4.525 0.919 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.282 0.012 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.817 -0.356 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.631 0.940 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.032 2.075 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.411 3.084 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.116 3.213 -1.302 1.00 0.00 H new ATOM 582 N PRO A 43 5.114 5.217 -0.038 1.00 0.00 N ATOM 583 CA PRO A 43 4.665 6.564 -0.402 1.00 0.00 C ATOM 584 C PRO A 43 3.314 6.553 -1.109 1.00 0.00 C ATOM 585 O PRO A 43 2.973 5.595 -1.804 1.00 0.00 O ATOM 586 CB PRO A 43 5.761 7.058 -1.350 1.00 0.00 C ATOM 587 CG PRO A 43 6.353 5.817 -1.924 1.00 0.00 C ATOM 588 CD PRO A 43 6.268 4.778 -0.841 1.00 0.00 C ATOM 0 HA PRO A 43 4.522 7.197 0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.350 7.698 -2.131 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.510 7.644 -0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.808 5.500 -2.813 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.387 5.982 -2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.115 3.780 -1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.181 4.741 -0.246 1.00 0.00 H new ATOM 596 N PHE A 44 2.549 7.624 -0.929 1.00 0.00 N ATOM 597 CA PHE A 44 1.234 7.738 -1.549 1.00 0.00 C ATOM 598 C PHE A 44 0.703 9.164 -1.441 1.00 0.00 C ATOM 599 O PHE A 44 1.177 9.956 -0.626 1.00 0.00 O ATOM 600 CB PHE A 44 0.252 6.765 -0.894 1.00 0.00 C ATOM 601 CG PHE A 44 0.226 6.857 0.605 1.00 0.00 C ATOM 602 CD1 PHE A 44 -0.376 7.934 1.235 1.00 0.00 C ATOM 603 CD2 PHE A 44 0.803 5.867 1.383 1.00 0.00 C ATOM 604 CE1 PHE A 44 -0.400 8.022 2.614 1.00 0.00 C ATOM 605 CE2 PHE A 44 0.781 5.949 2.763 1.00 0.00 C ATOM 606 CZ PHE A 44 0.178 7.028 3.379 1.00 0.00 C ATOM 0 H PHE A 44 2.817 8.426 -0.359 1.00 0.00 H new ATOM 0 HA PHE A 44 1.335 7.486 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.749 6.958 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.514 5.747 -1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.832 8.713 0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.276 5.021 0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.871 8.868 3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.235 5.170 3.358 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.158 7.094 4.457 1.00 0.00 H new ATOM 616 N LYS A 45 -0.285 9.485 -2.270 1.00 0.00 N ATOM 617 CA LYS A 45 -0.883 10.815 -2.269 1.00 0.00 C ATOM 618 C LYS A 45 -2.261 10.792 -1.615 1.00 0.00 C ATOM 619 O LYS A 45 -2.811 9.725 -1.346 1.00 0.00 O ATOM 620 CB LYS A 45 -0.994 11.348 -3.699 1.00 0.00 C ATOM 621 CG LYS A 45 0.273 12.020 -4.199 1.00 0.00 C ATOM 622 CD LYS A 45 1.384 11.010 -4.432 1.00 0.00 C ATOM 623 CE LYS A 45 1.362 10.477 -5.857 1.00 0.00 C ATOM 624 NZ LYS A 45 1.785 11.510 -6.842 1.00 0.00 N ATOM 0 H LYS A 45 -0.688 8.842 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.237 11.476 -1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.245 10.524 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.817 12.061 -3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.062 12.551 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.602 12.764 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.349 11.476 -4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.278 10.182 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.022 9.612 -5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.357 10.133 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.099 11.046 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.984 12.139 -7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.569 12.067 -6.446 1.00 0.00 H new ATOM 638 N GLU A 46 -2.812 11.975 -1.364 1.00 0.00 N ATOM 639 CA GLU A 46 -4.126 12.089 -0.743 1.00 0.00 C ATOM 640 C GLU A 46 -5.200 11.454 -1.622 1.00 0.00 C ATOM 641 O GLU A 46 -5.064 11.396 -2.843 1.00 0.00 O ATOM 642 CB GLU A 46 -4.467 13.557 -0.482 1.00 0.00 C ATOM 643 CG GLU A 46 -5.605 13.752 0.506 1.00 0.00 C ATOM 644 CD GLU A 46 -6.964 13.768 -0.166 1.00 0.00 C ATOM 645 OE1 GLU A 46 -7.027 14.088 -1.372 1.00 0.00 O ATOM 646 OE2 GLU A 46 -7.965 13.460 0.514 1.00 0.00 O ATOM 0 H GLU A 46 -2.369 12.868 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.097 11.557 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.580 14.066 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.731 14.033 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.579 12.953 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.458 14.689 1.043 1.00 0.00 H new ATOM 653 N GLY A 47 -6.270 10.980 -0.990 1.00 0.00 N ATOM 654 CA GLY A 47 -7.352 10.355 -1.729 1.00 0.00 C ATOM 655 C GLY A 47 -6.906 9.108 -2.467 1.00 0.00 C ATOM 656 O GLY A 47 -7.590 8.640 -3.376 1.00 0.00 O ATOM 0 H GLY A 47 -6.407 11.018 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.157 10.098 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.760 11.070 -2.444 1.00 0.00 H new ATOM 660 N GLN A 48 -5.755 8.571 -2.076 1.00 0.00 N ATOM 661 CA GLN A 48 -5.218 7.372 -2.708 1.00 0.00 C ATOM 662 C GLN A 48 -5.605 6.123 -1.924 1.00 0.00 C ATOM 663 O GLN A 48 -5.532 6.102 -0.695 1.00 0.00 O ATOM 664 CB GLN A 48 -3.695 7.467 -2.820 1.00 0.00 C ATOM 665 CG GLN A 48 -3.074 6.345 -3.637 1.00 0.00 C ATOM 666 CD GLN A 48 -1.611 6.592 -3.948 1.00 0.00 C ATOM 667 OE1 GLN A 48 -1.243 7.648 -4.462 1.00 0.00 O ATOM 668 NE2 GLN A 48 -0.767 5.615 -3.639 1.00 0.00 N ATOM 0 H GLN A 48 -5.177 8.947 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.645 7.297 -3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.431 8.423 -3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.264 7.458 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.172 5.406 -3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.626 6.231 -4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.115 4.756 -3.214 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.230 5.724 -3.827 1.00 0.00 H new ATOM 677 N ILE A 49 -6.018 5.084 -2.642 1.00 0.00 N ATOM 678 CA ILE A 49 -6.416 3.831 -2.013 1.00 0.00 C ATOM 679 C ILE A 49 -5.201 2.968 -1.688 1.00 0.00 C ATOM 680 O ILE A 49 -4.240 2.918 -2.456 1.00 0.00 O ATOM 681 CB ILE A 49 -7.375 3.029 -2.913 1.00 0.00 C ATOM 682 CG1 ILE A 49 -8.460 3.944 -3.483 1.00 0.00 C ATOM 683 CG2 ILE A 49 -7.999 1.881 -2.133 1.00 0.00 C ATOM 684 CD1 ILE A 49 -9.452 4.424 -2.447 1.00 0.00 C ATOM 0 H ILE A 49 -6.086 5.085 -3.660 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.931 4.092 -1.088 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.805 2.611 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.987 4.808 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.996 3.412 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.674 1.324 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.214 1.217 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.557 2.278 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.192 5.068 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.953 3.566 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.927 4.984 -1.673 1.00 0.00 H new ATOM 696 N ILE A 50 -5.253 2.290 -0.547 1.00 0.00 N ATOM 697 CA ILE A 50 -4.158 1.427 -0.122 1.00 0.00 C ATOM 698 C ILE A 50 -4.682 0.174 0.571 1.00 0.00 C ATOM 699 O ILE A 50 -5.392 0.256 1.573 1.00 0.00 O ATOM 700 CB ILE A 50 -3.198 2.163 0.832 1.00 0.00 C ATOM 701 CG1 ILE A 50 -2.724 3.474 0.201 1.00 0.00 C ATOM 702 CG2 ILE A 50 -2.011 1.276 1.178 1.00 0.00 C ATOM 703 CD1 ILE A 50 -2.128 4.443 1.198 1.00 0.00 C ATOM 0 H ILE A 50 -6.041 2.321 0.100 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.615 1.141 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.732 2.396 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.982 3.251 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.566 3.952 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.342 1.810 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.366 0.367 1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.474 1.015 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.814 5.350 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.874 4.695 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.266 3.983 1.681 1.00 0.00 H new ATOM 715 N LYS A 51 -4.327 -0.987 0.031 1.00 0.00 N ATOM 716 CA LYS A 51 -4.758 -2.259 0.597 1.00 0.00 C ATOM 717 C LYS A 51 -3.901 -2.638 1.801 1.00 0.00 C ATOM 718 O LYS A 51 -2.845 -3.253 1.654 1.00 0.00 O ATOM 719 CB LYS A 51 -4.686 -3.363 -0.461 1.00 0.00 C ATOM 720 CG LYS A 51 -5.833 -3.327 -1.456 1.00 0.00 C ATOM 721 CD LYS A 51 -5.648 -4.358 -2.557 1.00 0.00 C ATOM 722 CE LYS A 51 -6.933 -4.571 -3.343 1.00 0.00 C ATOM 723 NZ LYS A 51 -6.664 -5.048 -4.727 1.00 0.00 N ATOM 0 H LYS A 51 -3.741 -1.073 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.790 -2.148 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.744 -3.275 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.679 -4.332 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.773 -3.513 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.903 -2.332 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.857 -4.033 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.326 -5.304 -2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.560 -5.296 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.493 -3.637 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.565 -5.181 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.087 -4.344 -5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.152 -5.952 -4.689 1.00 0.00 H new ATOM 737 N VAL A 52 -4.363 -2.266 2.991 1.00 0.00 N ATOM 738 CA VAL A 52 -3.639 -2.569 4.220 1.00 0.00 C ATOM 739 C VAL A 52 -3.610 -4.070 4.485 1.00 0.00 C ATOM 740 O VAL A 52 -4.594 -4.772 4.248 1.00 0.00 O ATOM 741 CB VAL A 52 -4.269 -1.857 5.432 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.593 -2.298 6.721 1.00 0.00 C ATOM 743 CG2 VAL A 52 -4.185 -0.347 5.265 1.00 0.00 C ATOM 0 H VAL A 52 -5.235 -1.755 3.130 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.620 -2.207 4.085 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.321 -2.135 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.051 -1.785 7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.710 -3.375 6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.532 -2.051 6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.635 0.140 6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.140 -0.048 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.720 -0.050 4.363 1.00 0.00 H new ATOM 753 N TYR A 53 -2.476 -4.556 4.978 1.00 0.00 N ATOM 754 CA TYR A 53 -2.318 -5.975 5.273 1.00 0.00 C ATOM 755 C TYR A 53 -1.728 -6.179 6.666 1.00 0.00 C ATOM 756 O TYR A 53 -0.740 -5.545 7.033 1.00 0.00 O ATOM 757 CB TYR A 53 -1.422 -6.639 4.226 1.00 0.00 C ATOM 758 CG TYR A 53 -2.127 -6.924 2.919 1.00 0.00 C ATOM 759 CD1 TYR A 53 -3.068 -7.941 2.822 1.00 0.00 C ATOM 760 CD2 TYR A 53 -1.852 -6.175 1.781 1.00 0.00 C ATOM 761 CE1 TYR A 53 -3.714 -8.205 1.630 1.00 0.00 C ATOM 762 CE2 TYR A 53 -2.494 -6.431 0.585 1.00 0.00 C ATOM 763 CZ TYR A 53 -3.424 -7.447 0.515 1.00 0.00 C ATOM 764 OH TYR A 53 -4.066 -7.706 -0.675 1.00 0.00 O ATOM 0 H TYR A 53 -1.653 -3.988 5.182 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.304 -6.438 5.244 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.564 -5.995 4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.035 -7.574 4.632 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.299 -8.536 3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.124 -5.379 1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.442 -9.001 1.571 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.269 -5.839 -0.290 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.748 -7.082 -1.361 1.00 0.00 H new ATOM 774 N GLY A 54 -2.344 -7.070 7.437 1.00 0.00 N ATOM 775 CA GLY A 54 -1.867 -7.343 8.780 1.00 0.00 C ATOM 776 C GLY A 54 -2.190 -6.223 9.749 1.00 0.00 C ATOM 777 O GLY A 54 -2.713 -5.181 9.352 1.00 0.00 O ATOM 0 H GLY A 54 -3.164 -7.607 7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.314 -8.270 9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.788 -7.498 8.755 1.00 0.00 H new ATOM 781 N ASP A 55 -1.879 -6.437 11.023 1.00 0.00 N ATOM 782 CA ASP A 55 -2.140 -5.437 12.052 1.00 0.00 C ATOM 783 C ASP A 55 -0.928 -4.531 12.250 1.00 0.00 C ATOM 784 O ASP A 55 0.129 -4.753 11.659 1.00 0.00 O ATOM 785 CB ASP A 55 -2.506 -6.116 13.372 1.00 0.00 C ATOM 786 CG ASP A 55 -1.571 -7.260 13.713 1.00 0.00 C ATOM 787 OD1 ASP A 55 -1.794 -8.379 13.206 1.00 0.00 O ATOM 788 OD2 ASP A 55 -0.618 -7.036 14.488 1.00 0.00 O ATOM 0 H ASP A 55 -1.446 -7.294 11.368 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.979 -4.824 11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.482 -5.379 14.175 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.528 -6.491 13.313 1.00 0.00 H new ATOM 793 N LYS A 56 -1.089 -3.510 13.084 1.00 0.00 N ATOM 794 CA LYS A 56 -0.009 -2.570 13.361 1.00 0.00 C ATOM 795 C LYS A 56 1.114 -3.247 14.139 1.00 0.00 C ATOM 796 O LYS A 56 0.916 -3.699 15.267 1.00 0.00 O ATOM 797 CB LYS A 56 -0.539 -1.370 14.149 1.00 0.00 C ATOM 798 CG LYS A 56 -1.015 -0.227 13.269 1.00 0.00 C ATOM 799 CD LYS A 56 -1.516 0.944 14.098 1.00 0.00 C ATOM 800 CE LYS A 56 -0.365 1.713 14.729 1.00 0.00 C ATOM 801 NZ LYS A 56 -0.849 2.819 15.600 1.00 0.00 N ATOM 0 H LYS A 56 -1.958 -3.312 13.581 1.00 0.00 H new ATOM 0 HA LYS A 56 0.391 -2.223 12.408 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.363 -1.697 14.783 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.246 -1.005 14.811 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.198 0.104 12.627 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.813 -0.578 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.100 1.614 13.467 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.183 0.579 14.879 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.249 1.030 15.316 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.273 2.121 13.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.035 3.319 16.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.414 3.484 15.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.437 2.428 16.364 1.00 0.00 H new ATOM 815 N ASP A 57 2.294 -3.311 13.531 1.00 0.00 N ATOM 816 CA ASP A 57 3.450 -3.930 14.169 1.00 0.00 C ATOM 817 C ASP A 57 3.968 -3.064 15.312 1.00 0.00 C ATOM 818 O ASP A 57 3.438 -1.986 15.577 1.00 0.00 O ATOM 819 CB ASP A 57 4.561 -4.162 13.144 1.00 0.00 C ATOM 820 CG ASP A 57 4.629 -3.061 12.104 1.00 0.00 C ATOM 821 OD1 ASP A 57 3.897 -3.150 11.096 1.00 0.00 O ATOM 822 OD2 ASP A 57 5.413 -2.109 12.299 1.00 0.00 O ATOM 0 H ASP A 57 2.475 -2.942 12.597 1.00 0.00 H new ATOM 0 HA ASP A 57 3.137 -4.891 14.578 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.519 -4.230 13.660 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.398 -5.118 12.646 1.00 0.00 H new ATOM 827 N ALA A 58 5.008 -3.544 15.987 1.00 0.00 N ATOM 828 CA ALA A 58 5.599 -2.813 17.101 1.00 0.00 C ATOM 829 C ALA A 58 5.809 -1.346 16.745 1.00 0.00 C ATOM 830 O ALA A 58 5.502 -0.455 17.538 1.00 0.00 O ATOM 831 CB ALA A 58 6.917 -3.453 17.512 1.00 0.00 C ATOM 0 H ALA A 58 5.458 -4.436 15.781 1.00 0.00 H new ATOM 0 HA ALA A 58 4.907 -2.860 17.942 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.347 -2.897 18.345 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.741 -4.485 17.817 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.608 -3.436 16.669 1.00 0.00 H new ATOM 837 N ASP A 59 6.334 -1.101 15.550 1.00 0.00 N ATOM 838 CA ASP A 59 6.585 0.260 15.089 1.00 0.00 C ATOM 839 C ASP A 59 5.297 1.077 15.082 1.00 0.00 C ATOM 840 O ASP A 59 5.284 2.238 15.489 1.00 0.00 O ATOM 841 CB ASP A 59 7.200 0.241 13.689 1.00 0.00 C ATOM 842 CG ASP A 59 8.631 -0.257 13.691 1.00 0.00 C ATOM 843 OD1 ASP A 59 9.511 0.468 14.202 1.00 0.00 O ATOM 844 OD2 ASP A 59 8.872 -1.372 13.184 1.00 0.00 O ATOM 0 H ASP A 59 6.594 -1.827 14.882 1.00 0.00 H new ATOM 0 HA ASP A 59 7.287 0.728 15.779 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.598 -0.395 13.040 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.169 1.246 13.268 1.00 0.00 H new ATOM 849 N GLY A 60 4.214 0.463 14.614 1.00 0.00 N ATOM 850 CA GLY A 60 2.937 1.149 14.561 1.00 0.00 C ATOM 851 C GLY A 60 2.587 1.618 13.163 1.00 0.00 C ATOM 852 O GLY A 60 2.143 2.750 12.972 1.00 0.00 O ATOM 0 H GLY A 60 4.199 -0.497 14.271 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.155 0.482 14.923 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.961 2.007 15.233 1.00 0.00 H new ATOM 856 N PHE A 61 2.790 0.746 12.180 1.00 0.00 N ATOM 857 CA PHE A 61 2.496 1.077 10.791 1.00 0.00 C ATOM 858 C PHE A 61 1.505 0.082 10.193 1.00 0.00 C ATOM 859 O PHE A 61 1.143 -0.908 10.828 1.00 0.00 O ATOM 860 CB PHE A 61 3.783 1.091 9.965 1.00 0.00 C ATOM 861 CG PHE A 61 4.559 2.372 10.085 1.00 0.00 C ATOM 862 CD1 PHE A 61 5.349 2.617 11.196 1.00 0.00 C ATOM 863 CD2 PHE A 61 4.497 3.331 9.087 1.00 0.00 C ATOM 864 CE1 PHE A 61 6.064 3.795 11.310 1.00 0.00 C ATOM 865 CE2 PHE A 61 5.210 4.510 9.195 1.00 0.00 C ATOM 866 CZ PHE A 61 5.993 4.743 10.309 1.00 0.00 C ATOM 0 H PHE A 61 3.157 -0.195 12.320 1.00 0.00 H new ATOM 0 HA PHE A 61 2.046 2.070 10.767 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.416 0.261 10.280 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.535 0.923 8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.407 1.879 11.983 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.885 3.155 8.215 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.677 3.973 12.181 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.155 5.249 8.409 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.549 5.665 10.397 1.00 0.00 H new ATOM 876 N TYR A 62 1.070 0.355 8.968 1.00 0.00 N ATOM 877 CA TYR A 62 0.119 -0.513 8.284 1.00 0.00 C ATOM 878 C TYR A 62 0.656 -0.943 6.922 1.00 0.00 C ATOM 879 O TYR A 62 0.487 -0.240 5.926 1.00 0.00 O ATOM 880 CB TYR A 62 -1.223 0.200 8.113 1.00 0.00 C ATOM 881 CG TYR A 62 -2.160 0.017 9.286 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.348 -1.234 9.862 1.00 0.00 C ATOM 883 CD2 TYR A 62 -2.855 1.095 9.820 1.00 0.00 C ATOM 884 CE1 TYR A 62 -3.203 -1.406 10.933 1.00 0.00 C ATOM 885 CE2 TYR A 62 -3.711 0.932 10.892 1.00 0.00 C ATOM 886 CZ TYR A 62 -3.882 -0.320 11.445 1.00 0.00 C ATOM 887 OH TYR A 62 -4.733 -0.487 12.513 1.00 0.00 O ATOM 0 H TYR A 62 1.361 1.170 8.428 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.026 -1.404 8.895 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.043 1.265 7.965 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.709 -0.169 7.210 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.816 -2.086 9.465 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.724 2.077 9.390 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.339 -2.385 11.367 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.244 1.781 11.295 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.131 0.376 12.752 1.00 0.00 H new ATOM 897 N ARG A 63 1.302 -2.104 6.888 1.00 0.00 N ATOM 898 CA ARG A 63 1.865 -2.629 5.649 1.00 0.00 C ATOM 899 C ARG A 63 0.779 -2.806 4.591 1.00 0.00 C ATOM 900 O ARG A 63 0.086 -3.822 4.563 1.00 0.00 O ATOM 901 CB ARG A 63 2.563 -3.965 5.907 1.00 0.00 C ATOM 902 CG ARG A 63 3.730 -4.233 4.971 1.00 0.00 C ATOM 903 CD ARG A 63 4.485 -5.492 5.368 1.00 0.00 C ATOM 904 NE ARG A 63 5.700 -5.674 4.578 1.00 0.00 N ATOM 905 CZ ARG A 63 5.705 -6.133 3.332 1.00 0.00 C ATOM 906 NH1 ARG A 63 4.565 -6.455 2.736 1.00 0.00 N ATOM 907 NH2 ARG A 63 6.852 -6.270 2.678 1.00 0.00 N ATOM 0 H ARG A 63 1.449 -2.699 7.703 1.00 0.00 H new ATOM 0 HA ARG A 63 2.596 -1.911 5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.922 -3.985 6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.836 -4.771 5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.363 -4.334 3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.410 -3.381 4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.745 -5.441 6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.837 -6.359 5.241 1.00 0.00 H new ATOM 0 HE ARG A 63 6.594 -5.435 5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.681 -6.350 3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.572 -6.807 1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.731 -6.023 3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.854 -6.623 1.721 1.00 0.00 H new ATOM 921 N GLY A 64 0.638 -1.809 3.723 1.00 0.00 N ATOM 922 CA GLY A 64 -0.365 -1.875 2.676 1.00 0.00 C ATOM 923 C GLY A 64 0.246 -1.935 1.290 1.00 0.00 C ATOM 924 O GLY A 64 1.426 -1.634 1.112 1.00 0.00 O ATOM 0 H GLY A 64 1.200 -0.958 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.991 -2.754 2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.016 -1.003 2.745 1.00 0.00 H new ATOM 928 N GLU A 65 -0.558 -2.327 0.307 1.00 0.00 N ATOM 929 CA GLU A 65 -0.087 -2.428 -1.070 1.00 0.00 C ATOM 930 C GLU A 65 -0.858 -1.477 -1.980 1.00 0.00 C ATOM 931 O GLU A 65 -2.085 -1.390 -1.911 1.00 0.00 O ATOM 932 CB GLU A 65 -0.230 -3.865 -1.576 1.00 0.00 C ATOM 933 CG GLU A 65 -0.045 -4.002 -3.078 1.00 0.00 C ATOM 934 CD GLU A 65 -0.584 -5.313 -3.615 1.00 0.00 C ATOM 935 OE1 GLU A 65 -1.799 -5.562 -3.462 1.00 0.00 O ATOM 936 OE2 GLU A 65 0.207 -6.091 -4.188 1.00 0.00 O ATOM 0 H GLU A 65 -1.538 -2.580 0.438 1.00 0.00 H new ATOM 0 HA GLU A 65 0.966 -2.147 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.502 -4.494 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.216 -4.241 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.547 -3.175 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.015 -3.924 -3.318 1.00 0.00 H new ATOM 943 N THR A 66 -0.130 -0.764 -2.834 1.00 0.00 N ATOM 944 CA THR A 66 -0.744 0.182 -3.757 1.00 0.00 C ATOM 945 C THR A 66 0.188 0.499 -4.920 1.00 0.00 C ATOM 946 O THR A 66 1.409 0.393 -4.796 1.00 0.00 O ATOM 947 CB THR A 66 -1.124 1.495 -3.046 1.00 0.00 C ATOM 948 OG1 THR A 66 -1.820 2.359 -3.951 1.00 0.00 O ATOM 949 CG2 THR A 66 0.114 2.200 -2.514 1.00 0.00 C ATOM 0 H THR A 66 0.886 -0.824 -2.905 1.00 0.00 H new ATOM 0 HA THR A 66 -1.649 -0.291 -4.139 1.00 0.00 H new ATOM 0 HB THR A 66 -1.774 1.252 -2.205 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.676 2.625 -3.556 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.179 3.124 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.625 1.551 -1.803 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.785 2.431 -3.341 1.00 0.00 H new ATOM 957 N CYS A 67 -0.393 0.889 -6.049 1.00 0.00 N ATOM 958 CA CYS A 67 0.387 1.222 -7.236 1.00 0.00 C ATOM 959 C CYS A 67 1.442 0.155 -7.510 1.00 0.00 C ATOM 960 O CYS A 67 2.616 0.465 -7.710 1.00 0.00 O ATOM 961 CB CYS A 67 1.057 2.586 -7.065 1.00 0.00 C ATOM 962 SG CYS A 67 -0.097 3.978 -7.039 1.00 0.00 S ATOM 0 H CYS A 67 -1.402 0.982 -6.168 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.292 1.263 -8.087 1.00 0.00 H new ATOM 0 HB2 CYS A 67 1.628 2.584 -6.137 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.769 2.733 -7.877 1.00 0.00 H new ATOM 0 HG CYS A 67 0.564 5.087 -6.888 1.00 0.00 H new ATOM 968 N ALA A 68 1.015 -1.103 -7.516 1.00 0.00 N ATOM 969 CA ALA A 68 1.922 -2.217 -7.766 1.00 0.00 C ATOM 970 C ALA A 68 3.158 -2.128 -6.877 1.00 0.00 C ATOM 971 O ALA A 68 4.224 -2.634 -7.228 1.00 0.00 O ATOM 972 CB ALA A 68 2.325 -2.250 -9.233 1.00 0.00 C ATOM 0 H ALA A 68 0.046 -1.377 -7.351 1.00 0.00 H new ATOM 0 HA ALA A 68 1.398 -3.142 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.002 -3.087 -9.406 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.436 -2.369 -9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.826 -1.318 -9.494 1.00 0.00 H new ATOM 978 N ARG A 69 3.008 -1.481 -5.726 1.00 0.00 N ATOM 979 CA ARG A 69 4.113 -1.324 -4.788 1.00 0.00 C ATOM 980 C ARG A 69 3.805 -2.016 -3.463 1.00 0.00 C ATOM 981 O ARG A 69 2.723 -2.576 -3.280 1.00 0.00 O ATOM 982 CB ARG A 69 4.400 0.159 -4.548 1.00 0.00 C ATOM 983 CG ARG A 69 5.852 0.452 -4.207 1.00 0.00 C ATOM 984 CD ARG A 69 6.262 1.842 -4.667 1.00 0.00 C ATOM 985 NE ARG A 69 6.322 1.942 -6.122 1.00 0.00 N ATOM 986 CZ ARG A 69 6.639 3.057 -6.770 1.00 0.00 C ATOM 987 NH1 ARG A 69 6.923 4.162 -6.094 1.00 0.00 N ATOM 988 NH2 ARG A 69 6.672 3.069 -8.096 1.00 0.00 N ATOM 0 H ARG A 69 2.132 -1.057 -5.421 1.00 0.00 H new ATOM 0 HA ARG A 69 4.996 -1.791 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.124 0.722 -5.439 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.766 0.516 -3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.999 0.366 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.495 -0.292 -4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.553 2.575 -4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.236 2.090 -4.246 1.00 0.00 H new ATOM 0 HE ARG A 69 6.109 1.109 -6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.898 4.157 -5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.166 5.017 -6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.454 2.221 -8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.916 3.926 -8.592 1.00 0.00 H new ATOM 1002 N LEU A 70 4.761 -1.973 -2.543 1.00 0.00 N ATOM 1003 CA LEU A 70 4.592 -2.595 -1.234 1.00 0.00 C ATOM 1004 C LEU A 70 5.466 -1.910 -0.189 1.00 0.00 C ATOM 1005 O LEU A 70 6.665 -1.722 -0.394 1.00 0.00 O ATOM 1006 CB LEU A 70 4.936 -4.084 -1.307 1.00 0.00 C ATOM 1007 CG LEU A 70 4.261 -4.980 -0.268 1.00 0.00 C ATOM 1008 CD1 LEU A 70 2.770 -4.691 -0.202 1.00 0.00 C ATOM 1009 CD2 LEU A 70 4.508 -6.447 -0.589 1.00 0.00 C ATOM 0 H LEU A 70 5.662 -1.514 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 70 3.549 -2.483 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.672 -4.449 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.016 -4.193 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 70 4.695 -4.764 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.307 -5.338 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.613 -3.649 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.319 -4.879 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.021 -7.071 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.101 -6.678 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.580 -6.645 -0.584 1.00 0.00 H new ATOM 1021 N GLY A 71 4.858 -1.542 0.935 1.00 0.00 N ATOM 1022 CA GLY A 71 5.597 -0.884 1.997 1.00 0.00 C ATOM 1023 C GLY A 71 4.776 -0.727 3.262 1.00 0.00 C ATOM 1024 O GLY A 71 3.893 -1.538 3.543 1.00 0.00 O ATOM 0 H GLY A 71 3.867 -1.688 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.496 -1.458 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.923 0.098 1.654 1.00 0.00 H new ATOM 1028 N LEU A 72 5.068 0.319 4.028 1.00 0.00 N ATOM 1029 CA LEU A 72 4.352 0.579 5.272 1.00 0.00 C ATOM 1030 C LEU A 72 3.602 1.905 5.201 1.00 0.00 C ATOM 1031 O LEU A 72 4.015 2.826 4.496 1.00 0.00 O ATOM 1032 CB LEU A 72 5.327 0.595 6.451 1.00 0.00 C ATOM 1033 CG LEU A 72 6.130 -0.687 6.674 1.00 0.00 C ATOM 1034 CD1 LEU A 72 7.279 -0.436 7.639 1.00 0.00 C ATOM 1035 CD2 LEU A 72 5.229 -1.798 7.194 1.00 0.00 C ATOM 0 H LEU A 72 5.795 1.000 3.809 1.00 0.00 H new ATOM 0 HA LEU A 72 3.626 -0.221 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.027 1.418 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.764 0.810 7.359 1.00 0.00 H new ATOM 0 HG LEU A 72 6.547 -1.002 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.839 -1.359 7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.939 0.328 7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.883 -0.096 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.818 -2.702 7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.783 -1.492 8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.440 -1.997 6.468 1.00 0.00 H new ATOM 1047 N ILE A 73 2.499 1.995 5.936 1.00 0.00 N ATOM 1048 CA ILE A 73 1.693 3.210 5.958 1.00 0.00 C ATOM 1049 C ILE A 73 1.435 3.672 7.388 1.00 0.00 C ATOM 1050 O ILE A 73 1.012 2.900 8.250 1.00 0.00 O ATOM 1051 CB ILE A 73 0.343 3.003 5.246 1.00 0.00 C ATOM 1052 CG1 ILE A 73 0.567 2.680 3.767 1.00 0.00 C ATOM 1053 CG2 ILE A 73 -0.530 4.240 5.397 1.00 0.00 C ATOM 1054 CD1 ILE A 73 0.732 1.203 3.489 1.00 0.00 C ATOM 0 H ILE A 73 2.143 1.242 6.524 1.00 0.00 H new ATOM 0 HA ILE A 73 2.260 3.975 5.428 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.171 2.161 5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.276 3.058 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.454 3.208 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.481 4.079 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.712 4.430 6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.024 5.099 4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.887 1.049 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.593 0.823 4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.165 0.671 3.806 1.00 0.00 H new ATOM 1066 N PRO A 74 1.692 4.962 7.649 1.00 0.00 N ATOM 1067 CA PRO A 74 1.492 5.558 8.974 1.00 0.00 C ATOM 1068 C PRO A 74 0.016 5.676 9.339 1.00 0.00 C ATOM 1069 O PRO A 74 -0.680 6.575 8.866 1.00 0.00 O ATOM 1070 CB PRO A 74 2.122 6.946 8.837 1.00 0.00 C ATOM 1071 CG PRO A 74 2.046 7.256 7.382 1.00 0.00 C ATOM 1072 CD PRO A 74 2.197 5.940 6.670 1.00 0.00 C ATOM 0 HA PRO A 74 1.933 4.951 9.765 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.582 7.686 9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.154 6.949 9.189 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.096 7.728 7.133 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.833 7.951 7.089 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.622 5.916 5.744 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.236 5.743 6.405 1.00 0.00 H new ATOM 1080 N CYS A 75 -0.455 4.765 10.183 1.00 0.00 N ATOM 1081 CA CYS A 75 -1.849 4.767 10.612 1.00 0.00 C ATOM 1082 C CYS A 75 -2.299 6.175 10.988 1.00 0.00 C ATOM 1083 O CYS A 75 -3.466 6.529 10.824 1.00 0.00 O ATOM 1084 CB CYS A 75 -2.041 3.823 11.799 1.00 0.00 C ATOM 1085 SG CYS A 75 -3.660 3.954 12.593 1.00 0.00 S ATOM 0 H CYS A 75 0.108 4.015 10.584 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.460 4.419 9.779 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.896 2.797 11.460 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.268 4.026 12.540 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.306 4.967 12.096 1.00 0.00 H new ATOM 1091 N ASN A 76 -1.366 6.973 11.496 1.00 0.00 N ATOM 1092 CA ASN A 76 -1.667 8.342 11.899 1.00 0.00 C ATOM 1093 C ASN A 76 -2.176 9.158 10.714 1.00 0.00 C ATOM 1094 O ASN A 76 -3.127 9.929 10.841 1.00 0.00 O ATOM 1095 CB ASN A 76 -0.424 9.007 12.493 1.00 0.00 C ATOM 1096 CG ASN A 76 -0.756 10.267 13.268 1.00 0.00 C ATOM 1097 OD1 ASN A 76 -1.049 10.216 14.463 1.00 0.00 O ATOM 1098 ND2 ASN A 76 -0.713 11.408 12.589 1.00 0.00 N ATOM 0 H ASN A 76 -0.395 6.695 11.638 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.449 8.307 12.657 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.082 8.301 13.152 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.273 9.250 11.691 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.928 12.288 13.057 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.465 11.404 11.600 1.00 0.00 H new ATOM 1105 N MET A 77 -1.536 8.982 9.563 1.00 0.00 N ATOM 1106 CA MET A 77 -1.925 9.700 8.355 1.00 0.00 C ATOM 1107 C MET A 77 -3.195 9.105 7.754 1.00 0.00 C ATOM 1108 O MET A 77 -4.256 9.730 7.776 1.00 0.00 O ATOM 1109 CB MET A 77 -0.794 9.661 7.326 1.00 0.00 C ATOM 1110 CG MET A 77 0.538 10.153 7.869 1.00 0.00 C ATOM 1111 SD MET A 77 0.727 11.941 7.731 1.00 0.00 S ATOM 1112 CE MET A 77 0.777 12.140 5.951 1.00 0.00 C ATOM 0 H MET A 77 -0.746 8.349 9.441 1.00 0.00 H new ATOM 0 HA MET A 77 -2.124 10.737 8.627 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.675 8.639 6.967 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.074 10.270 6.467 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.629 9.862 8.915 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.349 9.663 7.330 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.298 13.065 5.703 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.303 11.296 5.505 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.240 12.181 5.561 1.00 0.00 H new ATOM 1122 N VAL A 78 -3.080 7.895 7.217 1.00 0.00 N ATOM 1123 CA VAL A 78 -4.219 7.216 6.611 1.00 0.00 C ATOM 1124 C VAL A 78 -5.376 7.097 7.597 1.00 0.00 C ATOM 1125 O VAL A 78 -5.256 7.481 8.760 1.00 0.00 O ATOM 1126 CB VAL A 78 -3.835 5.809 6.115 1.00 0.00 C ATOM 1127 CG1 VAL A 78 -2.956 5.901 4.877 1.00 0.00 C ATOM 1128 CG2 VAL A 78 -3.137 5.028 7.218 1.00 0.00 C ATOM 0 H VAL A 78 -2.209 7.364 7.189 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.532 7.821 5.760 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.747 5.276 5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.695 4.898 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.496 6.420 4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.046 6.452 5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.873 4.036 6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.233 5.556 7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.805 4.932 8.074 1.00 0.00 H new ATOM 1138 N SER A 79 -6.497 6.562 7.123 1.00 0.00 N ATOM 1139 CA SER A 79 -7.678 6.395 7.962 1.00 0.00 C ATOM 1140 C SER A 79 -8.482 5.172 7.530 1.00 0.00 C ATOM 1141 O SER A 79 -8.383 4.723 6.389 1.00 0.00 O ATOM 1142 CB SER A 79 -8.556 7.646 7.897 1.00 0.00 C ATOM 1143 OG SER A 79 -9.302 7.807 9.091 1.00 0.00 O ATOM 0 H SER A 79 -6.612 6.237 6.163 1.00 0.00 H new ATOM 0 HA SER A 79 -7.346 6.246 8.989 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.932 8.524 7.733 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.235 7.574 7.047 1.00 0.00 H new ATOM 0 HG SER A 79 -9.854 8.614 9.026 1.00 0.00 H new ATOM 1149 N GLU A 80 -9.279 4.640 8.452 1.00 0.00 N ATOM 1150 CA GLU A 80 -10.100 3.469 8.168 1.00 0.00 C ATOM 1151 C GLU A 80 -11.422 3.875 7.523 1.00 0.00 C ATOM 1152 O GLU A 80 -12.131 4.743 8.032 1.00 0.00 O ATOM 1153 CB GLU A 80 -10.367 2.681 9.452 1.00 0.00 C ATOM 1154 CG GLU A 80 -11.114 1.379 9.223 1.00 0.00 C ATOM 1155 CD GLU A 80 -11.058 0.454 10.424 1.00 0.00 C ATOM 1156 OE1 GLU A 80 -10.125 0.601 11.241 1.00 0.00 O ATOM 1157 OE2 GLU A 80 -11.945 -0.416 10.546 1.00 0.00 O ATOM 0 H GLU A 80 -9.373 5.001 9.401 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.554 2.835 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.416 2.464 9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.942 3.304 10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.155 1.599 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.691 0.870 8.357 1.00 0.00 H new ATOM 1164 N ILE A 81 -11.745 3.241 6.401 1.00 0.00 N ATOM 1165 CA ILE A 81 -12.981 3.536 5.687 1.00 0.00 C ATOM 1166 C ILE A 81 -14.141 2.710 6.232 1.00 0.00 C ATOM 1167 O ILE A 81 -13.963 1.558 6.627 1.00 0.00 O ATOM 1168 CB ILE A 81 -12.838 3.265 4.177 1.00 0.00 C ATOM 1169 CG1 ILE A 81 -11.548 3.892 3.645 1.00 0.00 C ATOM 1170 CG2 ILE A 81 -14.046 3.804 3.425 1.00 0.00 C ATOM 1171 CD1 ILE A 81 -11.238 3.514 2.213 1.00 0.00 C ATOM 0 H ILE A 81 -11.168 2.520 5.967 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.188 4.595 5.840 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.788 2.188 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.624 4.977 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.717 3.588 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.930 3.605 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.949 3.315 3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.125 4.879 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.310 3.994 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.129 2.432 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.051 3.843 1.566 1.00 0.00 H new ATOM 1183 N GLN A 82 -15.329 3.307 6.249 1.00 0.00 N ATOM 1184 CA GLN A 82 -16.518 2.625 6.745 1.00 0.00 C ATOM 1185 C GLN A 82 -16.856 1.418 5.877 1.00 0.00 C ATOM 1186 O GLN A 82 -16.442 1.338 4.721 1.00 0.00 O ATOM 1187 CB GLN A 82 -17.706 3.589 6.783 1.00 0.00 C ATOM 1188 CG GLN A 82 -18.703 3.282 7.888 1.00 0.00 C ATOM 1189 CD GLN A 82 -20.119 3.686 7.525 1.00 0.00 C ATOM 1190 OE1 GLN A 82 -20.520 4.833 7.721 1.00 0.00 O ATOM 1191 NE2 GLN A 82 -20.885 2.741 6.992 1.00 0.00 N ATOM 0 H GLN A 82 -15.493 4.260 5.925 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.310 2.275 7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -17.334 4.606 6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -18.220 3.557 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -18.679 2.215 8.108 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -18.403 3.802 8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -20.511 1.803 6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -21.847 2.953 6.727 1.00 0.00 H new ATOM 1200 N ALA A 83 -17.610 0.481 6.442 1.00 0.00 N ATOM 1201 CA ALA A 83 -18.005 -0.721 5.719 1.00 0.00 C ATOM 1202 C ALA A 83 -16.790 -1.569 5.358 1.00 0.00 C ATOM 1203 O ALA A 83 -16.625 -1.979 4.209 1.00 0.00 O ATOM 1204 CB ALA A 83 -18.783 -0.351 4.465 1.00 0.00 C ATOM 0 H ALA A 83 -17.960 0.531 7.399 1.00 0.00 H new ATOM 0 HA ALA A 83 -18.648 -1.312 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.072 -1.259 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -19.677 0.207 4.743 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.158 0.264 3.818 1.00 0.00 H new ATOM 1210 N ASP A 84 -15.940 -1.827 6.347 1.00 0.00 N ATOM 1211 CA ASP A 84 -14.740 -2.627 6.134 1.00 0.00 C ATOM 1212 C ASP A 84 -15.030 -4.110 6.343 1.00 0.00 C ATOM 1213 O ASP A 84 -14.717 -4.940 5.490 1.00 0.00 O ATOM 1214 CB ASP A 84 -13.625 -2.174 7.079 1.00 0.00 C ATOM 1215 CG ASP A 84 -14.126 -1.926 8.488 1.00 0.00 C ATOM 1216 OD1 ASP A 84 -14.601 -0.804 8.760 1.00 0.00 O ATOM 1217 OD2 ASP A 84 -14.042 -2.854 9.319 1.00 0.00 O ATOM 0 H ASP A 84 -16.060 -1.494 7.303 1.00 0.00 H new ATOM 0 HA ASP A 84 -14.415 -2.481 5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -12.842 -2.932 7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.173 -1.261 6.691 1.00 0.00 H new ATOM 1222 N ASP A 85 -15.627 -4.435 7.484 1.00 0.00 N ATOM 1223 CA ASP A 85 -15.960 -5.817 7.807 1.00 0.00 C ATOM 1224 C ASP A 85 -17.357 -6.171 7.308 1.00 0.00 C ATOM 1225 O ASP A 85 -18.117 -5.297 6.893 1.00 0.00 O ATOM 1226 CB ASP A 85 -15.870 -6.047 9.316 1.00 0.00 C ATOM 1227 CG ASP A 85 -16.281 -7.452 9.713 1.00 0.00 C ATOM 1228 OD1 ASP A 85 -15.419 -8.355 9.675 1.00 0.00 O ATOM 1229 OD2 ASP A 85 -17.463 -7.647 10.063 1.00 0.00 O ATOM 0 H ASP A 85 -15.890 -3.759 8.201 1.00 0.00 H new ATOM 0 HA ASP A 85 -15.240 -6.464 7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -14.848 -5.863 9.648 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.507 -5.327 9.829 1.00 0.00 H new ATOM 1234 N GLU A 86 -17.688 -7.458 7.350 1.00 0.00 N ATOM 1235 CA GLU A 86 -18.993 -7.926 6.901 1.00 0.00 C ATOM 1236 C GLU A 86 -19.402 -9.195 7.643 1.00 0.00 C ATOM 1237 O GLU A 86 -18.627 -9.744 8.426 1.00 0.00 O ATOM 1238 CB GLU A 86 -18.974 -8.188 5.393 1.00 0.00 C ATOM 1239 CG GLU A 86 -18.172 -9.416 4.999 1.00 0.00 C ATOM 1240 CD GLU A 86 -18.585 -9.975 3.650 1.00 0.00 C ATOM 1241 OE1 GLU A 86 -19.721 -9.695 3.214 1.00 0.00 O ATOM 1242 OE2 GLU A 86 -17.771 -10.691 3.031 1.00 0.00 O ATOM 0 H GLU A 86 -17.070 -8.195 7.690 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.724 -7.147 7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -19.999 -8.305 5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.560 -7.316 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.113 -9.161 4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.296 -10.186 5.761 1.00 0.00 H new ATOM 1249 N GLU A 87 -20.623 -9.655 7.390 1.00 0.00 N ATOM 1250 CA GLU A 87 -21.135 -10.858 8.036 1.00 0.00 C ATOM 1251 C GLU A 87 -20.171 -12.027 7.849 1.00 0.00 C ATOM 1252 O GLU A 87 -19.148 -11.900 7.178 1.00 0.00 O ATOM 1253 CB GLU A 87 -22.510 -11.221 7.471 1.00 0.00 C ATOM 1254 CG GLU A 87 -23.637 -10.359 8.012 1.00 0.00 C ATOM 1255 CD GLU A 87 -23.798 -10.484 9.514 1.00 0.00 C ATOM 1256 OE1 GLU A 87 -24.312 -11.526 9.972 1.00 0.00 O ATOM 1257 OE2 GLU A 87 -23.410 -9.539 10.233 1.00 0.00 O ATOM 0 H GLU A 87 -21.276 -9.213 6.743 1.00 0.00 H new ATOM 0 HA GLU A 87 -21.231 -10.655 9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -22.483 -11.129 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -22.722 -12.266 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -23.447 -9.317 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -24.571 -10.641 7.526 1.00 0.00 H new ATOM 1264 N MET A 88 -20.507 -13.164 8.450 1.00 0.00 N ATOM 1265 CA MET A 88 -19.672 -14.356 8.350 1.00 0.00 C ATOM 1266 C MET A 88 -20.260 -15.349 7.353 1.00 0.00 C ATOM 1267 O MET A 88 -21.293 -15.087 6.737 1.00 0.00 O ATOM 1268 CB MET A 88 -19.526 -15.018 9.721 1.00 0.00 C ATOM 1269 CG MET A 88 -20.813 -15.643 10.235 1.00 0.00 C ATOM 1270 SD MET A 88 -20.686 -16.185 11.950 1.00 0.00 S ATOM 1271 CE MET A 88 -20.997 -17.940 11.774 1.00 0.00 C ATOM 0 H MET A 88 -21.350 -13.285 9.011 1.00 0.00 H new ATOM 0 HA MET A 88 -18.688 -14.051 7.995 1.00 0.00 H new ATOM 0 HB2 MET A 88 -18.756 -15.787 9.664 1.00 0.00 H new ATOM 0 HB3 MET A 88 -19.181 -14.274 10.439 1.00 0.00 H new ATOM 0 HG2 MET A 88 -21.624 -14.920 10.146 1.00 0.00 H new ATOM 0 HG3 MET A 88 -21.074 -16.495 9.607 1.00 0.00 H new ATOM 0 HE1 MET A 88 -20.952 -18.417 12.753 1.00 0.00 H new ATOM 0 HE2 MET A 88 -21.985 -18.093 11.341 1.00 0.00 H new ATOM 0 HE3 MET A 88 -20.243 -18.379 11.121 1.00 0.00 H new ATOM 1281 N MET A 89 -19.596 -16.490 7.199 1.00 0.00 N ATOM 1282 CA MET A 89 -20.054 -17.522 6.276 1.00 0.00 C ATOM 1283 C MET A 89 -21.393 -18.097 6.726 1.00 0.00 C ATOM 1284 O MET A 89 -21.467 -18.819 7.721 1.00 0.00 O ATOM 1285 CB MET A 89 -19.015 -18.640 6.172 1.00 0.00 C ATOM 1286 CG MET A 89 -19.472 -19.817 5.326 1.00 0.00 C ATOM 1287 SD MET A 89 -19.976 -19.326 3.666 1.00 0.00 S ATOM 1288 CE MET A 89 -18.405 -19.371 2.807 1.00 0.00 C ATOM 0 H MET A 89 -18.739 -16.723 7.701 1.00 0.00 H new ATOM 0 HA MET A 89 -20.186 -17.066 5.295 1.00 0.00 H new ATOM 0 HB2 MET A 89 -18.097 -18.233 5.748 1.00 0.00 H new ATOM 0 HB3 MET A 89 -18.774 -18.995 7.174 1.00 0.00 H new ATOM 0 HG2 MET A 89 -18.663 -20.544 5.256 1.00 0.00 H new ATOM 0 HG3 MET A 89 -20.305 -20.314 5.822 1.00 0.00 H new ATOM 0 HE1 MET A 89 -18.552 -19.090 1.764 1.00 0.00 H new ATOM 0 HE2 MET A 89 -17.713 -18.672 3.277 1.00 0.00 H new ATOM 0 HE3 MET A 89 -17.992 -20.378 2.857 1.00 0.00 H new ATOM 1298 N ASP A 90 -22.449 -17.773 5.988 1.00 0.00 N ATOM 1299 CA ASP A 90 -23.786 -18.258 6.310 1.00 0.00 C ATOM 1300 C ASP A 90 -24.127 -19.497 5.487 1.00 0.00 C ATOM 1301 O ASP A 90 -25.267 -19.671 5.056 1.00 0.00 O ATOM 1302 CB ASP A 90 -24.823 -17.163 6.061 1.00 0.00 C ATOM 1303 CG ASP A 90 -26.210 -17.562 6.526 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -26.449 -17.553 7.751 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -27.055 -17.884 5.665 1.00 0.00 O ATOM 0 H ASP A 90 -22.405 -17.176 5.162 1.00 0.00 H new ATOM 0 HA ASP A 90 -23.803 -18.529 7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -24.518 -16.253 6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -24.853 -16.930 4.997 1.00 0.00 H new ATOM 1310 N GLN A 91 -23.133 -20.352 5.273 1.00 0.00 N ATOM 1311 CA GLN A 91 -23.328 -21.572 4.500 1.00 0.00 C ATOM 1312 C GLN A 91 -22.588 -22.744 5.136 1.00 0.00 C ATOM 1313 O GLN A 91 -21.361 -22.819 5.082 1.00 0.00 O ATOM 1314 CB GLN A 91 -22.850 -21.372 3.061 1.00 0.00 C ATOM 1315 CG GLN A 91 -23.484 -22.335 2.070 1.00 0.00 C ATOM 1316 CD GLN A 91 -22.933 -22.174 0.666 1.00 0.00 C ATOM 1317 OE1 GLN A 91 -22.451 -21.103 0.295 1.00 0.00 O ATOM 1318 NE2 GLN A 91 -23.001 -23.240 -0.122 1.00 0.00 N ATOM 0 H GLN A 91 -22.184 -20.222 5.624 1.00 0.00 H new ATOM 0 HA GLN A 91 -24.394 -21.800 4.492 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -23.070 -20.350 2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -21.767 -21.490 3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -23.318 -23.358 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -24.562 -22.176 2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -23.409 -24.107 0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -22.646 -23.192 -1.077 1.00 0.00 H new ATOM 1327 N SER A 92 -23.343 -23.657 5.740 1.00 0.00 N ATOM 1328 CA SER A 92 -22.758 -24.824 6.390 1.00 0.00 C ATOM 1329 C SER A 92 -22.840 -26.049 5.485 1.00 0.00 C ATOM 1330 O SER A 92 -23.665 -26.108 4.575 1.00 0.00 O ATOM 1331 CB SER A 92 -23.470 -25.106 7.715 1.00 0.00 C ATOM 1332 OG SER A 92 -24.863 -25.278 7.518 1.00 0.00 O ATOM 0 H SER A 92 -24.361 -23.611 5.793 1.00 0.00 H new ATOM 0 HA SER A 92 -21.708 -24.610 6.588 1.00 0.00 H new ATOM 0 HB2 SER A 92 -23.051 -26.002 8.173 1.00 0.00 H new ATOM 0 HB3 SER A 92 -23.296 -24.282 8.408 1.00 0.00 H new ATOM 0 HG SER A 92 -25.295 -25.459 8.379 1.00 0.00 H new ATOM 1338 N GLY A 93 -21.975 -27.026 5.742 1.00 0.00 N ATOM 1339 CA GLY A 93 -21.965 -28.237 4.943 1.00 0.00 C ATOM 1340 C GLY A 93 -22.133 -29.488 5.783 1.00 0.00 C ATOM 1341 O GLY A 93 -22.650 -29.447 6.899 1.00 0.00 O ATOM 0 H GLY A 93 -21.281 -27.000 6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -22.766 -28.188 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -21.027 -28.297 4.391 1.00 0.00 H new ATOM 1345 N PRO A 94 -21.691 -30.632 5.241 1.00 0.00 N ATOM 1346 CA PRO A 94 -21.785 -31.922 5.931 1.00 0.00 C ATOM 1347 C PRO A 94 -20.844 -32.010 7.128 1.00 0.00 C ATOM 1348 O PRO A 94 -19.628 -32.113 6.967 1.00 0.00 O ATOM 1349 CB PRO A 94 -21.377 -32.931 4.854 1.00 0.00 C ATOM 1350 CG PRO A 94 -20.518 -32.156 3.916 1.00 0.00 C ATOM 1351 CD PRO A 94 -21.064 -30.756 3.914 1.00 0.00 C ATOM 0 HA PRO A 94 -22.781 -32.094 6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -20.834 -33.772 5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -22.249 -33.341 4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -19.477 -32.168 4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -20.546 -32.587 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.275 -30.017 3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -21.788 -30.608 3.112 1.00 0.00 H new ATOM 1359 N SER A 95 -21.414 -31.970 8.328 1.00 0.00 N ATOM 1360 CA SER A 95 -20.625 -32.041 9.552 1.00 0.00 C ATOM 1361 C SER A 95 -19.890 -33.375 9.647 1.00 0.00 C ATOM 1362 O SER A 95 -20.034 -34.239 8.782 1.00 0.00 O ATOM 1363 CB SER A 95 -21.525 -31.853 10.775 1.00 0.00 C ATOM 1364 OG SER A 95 -22.245 -33.038 11.065 1.00 0.00 O ATOM 0 H SER A 95 -22.420 -31.889 8.479 1.00 0.00 H new ATOM 0 HA SER A 95 -19.886 -31.240 9.527 1.00 0.00 H new ATOM 0 HB2 SER A 95 -20.919 -31.572 11.636 1.00 0.00 H new ATOM 0 HB3 SER A 95 -22.222 -31.035 10.595 1.00 0.00 H new ATOM 0 HG SER A 95 -22.811 -32.893 11.851 1.00 0.00 H new ATOM 1370 N SER A 96 -19.102 -33.535 10.705 1.00 0.00 N ATOM 1371 CA SER A 96 -18.341 -34.761 10.913 1.00 0.00 C ATOM 1372 C SER A 96 -19.224 -35.855 11.504 1.00 0.00 C ATOM 1373 O SER A 96 -20.041 -35.600 12.388 1.00 0.00 O ATOM 1374 CB SER A 96 -17.150 -34.496 11.837 1.00 0.00 C ATOM 1375 OG SER A 96 -17.584 -34.156 13.143 1.00 0.00 O ATOM 0 H SER A 96 -18.974 -32.831 11.432 1.00 0.00 H new ATOM 0 HA SER A 96 -17.973 -35.100 9.945 1.00 0.00 H new ATOM 0 HB2 SER A 96 -16.515 -35.381 11.880 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.543 -33.687 11.430 1.00 0.00 H new ATOM 0 HG SER A 96 -16.805 -33.993 13.715 1.00 0.00 H new ATOM 1381 N GLY A 97 -19.054 -37.077 11.007 1.00 0.00 N ATOM 1382 CA GLY A 97 -19.843 -38.193 11.496 1.00 0.00 C ATOM 1383 C GLY A 97 -19.193 -38.889 12.676 1.00 0.00 C ATOM 1384 O GLY A 97 -18.018 -39.252 12.621 1.00 0.00 O ATOM 0 H GLY A 97 -18.384 -37.314 10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -20.831 -37.836 11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -19.989 -38.912 10.690 1.00 0.00 H new TER 1388 GLY A 97