USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 417 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 31 MET CE :methyl 163:sc= -0.108 (180deg=0) USER MOD Set 1.2: A 39 HIS : no HE2:sc= -4.41 X(o=-4.5,f=-4.5) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.087 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -77:sc= 1.22 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.4) USER MOD Single : A 28 THR OG1 : rot -21:sc=0.000615 USER MOD Single : A 29 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 1.16 K(o=1.2,f=-0.21) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 40:sc= 0.43 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 60 SER OG : rot 180:sc= -0.755 USER MOD Single : A 62 THR OG1 : rot 42:sc= 0.662 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.156 -11.586 -19.977 1.00 0.00 N ATOM 2 CA GLY A 1 -28.536 -11.072 -20.206 1.00 0.00 C ATOM 3 C GLY A 1 -28.933 -10.143 -19.061 1.00 0.00 C ATOM 4 O GLY A 1 -28.072 -9.600 -18.369 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.574 -11.404 -20.819 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.738 -11.104 -19.156 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.192 -12.609 -19.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.583 -10.537 -21.155 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.238 -11.903 -20.274 1.00 0.00 H new ATOM 10 N SER A 2 -30.244 -9.967 -18.872 1.00 0.00 N ATOM 11 CA SER A 2 -30.749 -9.101 -17.808 1.00 0.00 C ATOM 12 C SER A 2 -31.013 -9.904 -16.538 1.00 0.00 C ATOM 13 O SER A 2 -32.059 -10.545 -16.406 1.00 0.00 O ATOM 14 CB SER A 2 -32.039 -8.420 -18.262 1.00 0.00 C ATOM 15 OG SER A 2 -31.761 -7.583 -19.377 1.00 0.00 O ATOM 0 H SER A 2 -30.968 -10.410 -19.438 1.00 0.00 H new ATOM 0 HA SER A 2 -29.994 -8.345 -17.592 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.784 -9.169 -18.532 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.459 -7.831 -17.447 1.00 0.00 H new ATOM 0 HG SER A 2 -32.587 -7.146 -19.672 1.00 0.00 H new ATOM 21 N MET A 3 -30.057 -9.861 -15.607 1.00 0.00 N ATOM 22 CA MET A 3 -30.190 -10.584 -14.344 1.00 0.00 C ATOM 23 C MET A 3 -29.355 -9.915 -13.244 1.00 0.00 C ATOM 24 O MET A 3 -28.841 -10.587 -12.344 1.00 0.00 O ATOM 25 CB MET A 3 -29.741 -12.038 -14.530 1.00 0.00 C ATOM 26 CG MET A 3 -30.809 -12.818 -15.300 1.00 0.00 C ATOM 27 SD MET A 3 -30.424 -14.586 -15.231 1.00 0.00 S ATOM 28 CE MET A 3 -31.313 -15.073 -16.730 1.00 0.00 C ATOM 0 H MET A 3 -29.188 -9.336 -15.704 1.00 0.00 H new ATOM 0 HA MET A 3 -31.237 -10.564 -14.041 1.00 0.00 H new ATOM 0 HB2 MET A 3 -28.795 -12.069 -15.070 1.00 0.00 H new ATOM 0 HB3 MET A 3 -29.569 -12.502 -13.559 1.00 0.00 H new ATOM 0 HG2 MET A 3 -31.793 -12.631 -14.870 1.00 0.00 H new ATOM 0 HG3 MET A 3 -30.845 -12.482 -16.336 1.00 0.00 H new ATOM 0 HE1 MET A 3 -31.207 -16.147 -16.883 1.00 0.00 H new ATOM 0 HE2 MET A 3 -32.369 -14.824 -16.624 1.00 0.00 H new ATOM 0 HE3 MET A 3 -30.899 -14.542 -17.587 1.00 0.00 H new ATOM 38 N ALA A 4 -29.227 -8.585 -13.319 1.00 0.00 N ATOM 39 CA ALA A 4 -28.458 -7.828 -12.328 1.00 0.00 C ATOM 40 C ALA A 4 -29.387 -6.951 -11.479 1.00 0.00 C ATOM 41 O ALA A 4 -29.019 -5.843 -11.077 1.00 0.00 O ATOM 42 CB ALA A 4 -27.422 -6.955 -13.047 1.00 0.00 C ATOM 0 H ALA A 4 -29.645 -8.014 -14.053 1.00 0.00 H new ATOM 0 HA ALA A 4 -27.948 -8.527 -11.665 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -26.849 -6.391 -12.312 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -26.749 -7.589 -13.623 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -27.932 -6.263 -13.718 1.00 0.00 H new ATOM 48 N GLN A 5 -30.593 -7.458 -11.205 1.00 0.00 N ATOM 49 CA GLN A 5 -31.573 -6.722 -10.403 1.00 0.00 C ATOM 50 C GLN A 5 -32.163 -7.623 -9.313 1.00 0.00 C ATOM 51 O GLN A 5 -33.354 -7.545 -8.994 1.00 0.00 O ATOM 52 CB GLN A 5 -32.684 -6.188 -11.312 1.00 0.00 C ATOM 53 CG GLN A 5 -32.110 -5.119 -12.244 1.00 0.00 C ATOM 54 CD GLN A 5 -33.072 -4.865 -13.398 1.00 0.00 C ATOM 55 OE1 GLN A 5 -33.327 -5.761 -14.203 1.00 0.00 O ATOM 56 NE2 GLN A 5 -33.625 -3.690 -13.529 1.00 0.00 N ATOM 0 H GLN A 5 -30.913 -8.372 -11.526 1.00 0.00 H new ATOM 0 HA GLN A 5 -31.074 -5.883 -9.917 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -33.114 -7.002 -11.896 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -33.490 -5.767 -10.711 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -31.940 -4.195 -11.691 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -31.143 -5.442 -12.630 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -33.412 -2.949 -12.861 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -34.270 -3.513 -14.299 1.00 0.00 H new ATOM 65 N GLU A 6 -31.310 -8.476 -8.738 1.00 0.00 N ATOM 66 CA GLU A 6 -31.735 -9.390 -7.679 1.00 0.00 C ATOM 67 C GLU A 6 -31.375 -8.817 -6.312 1.00 0.00 C ATOM 68 O GLU A 6 -32.234 -8.699 -5.434 1.00 0.00 O ATOM 69 CB GLU A 6 -31.053 -10.747 -7.860 1.00 0.00 C ATOM 70 CG GLU A 6 -31.845 -11.824 -7.113 1.00 0.00 C ATOM 71 CD GLU A 6 -31.341 -13.209 -7.507 1.00 0.00 C ATOM 72 OE1 GLU A 6 -30.359 -13.647 -6.930 1.00 0.00 O ATOM 73 OE2 GLU A 6 -31.944 -13.811 -8.379 1.00 0.00 O ATOM 0 H GLU A 6 -30.324 -8.551 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 6 -32.816 -9.516 -7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -30.991 -10.996 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -30.031 -10.705 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -31.742 -11.683 -6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -32.906 -11.734 -7.346 1.00 0.00 H new ATOM 80 N THR A 7 -30.100 -8.461 -6.143 1.00 0.00 N ATOM 81 CA THR A 7 -29.626 -7.899 -4.882 1.00 0.00 C ATOM 82 C THR A 7 -29.741 -6.377 -4.894 1.00 0.00 C ATOM 83 O THR A 7 -29.466 -5.734 -5.908 1.00 0.00 O ATOM 84 CB THR A 7 -28.167 -8.298 -4.652 1.00 0.00 C ATOM 85 OG1 THR A 7 -27.987 -9.662 -5.003 1.00 0.00 O ATOM 86 CG2 THR A 7 -27.804 -8.095 -3.180 1.00 0.00 C ATOM 0 H THR A 7 -29.382 -8.552 -6.862 1.00 0.00 H new ATOM 0 HA THR A 7 -30.245 -8.292 -4.075 1.00 0.00 H new ATOM 0 HB THR A 7 -27.521 -7.676 -5.271 1.00 0.00 H new ATOM 0 HG1 THR A 7 -27.052 -9.917 -4.857 1.00 0.00 H new ATOM 0 HG21 THR A 7 -26.764 -8.380 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 7 -27.938 -7.047 -2.913 1.00 0.00 H new ATOM 0 HG23 THR A 7 -28.450 -8.714 -2.557 1.00 0.00 H new ATOM 94 N ASN A 8 -30.143 -5.810 -3.755 1.00 0.00 N ATOM 95 CA ASN A 8 -30.286 -4.359 -3.622 1.00 0.00 C ATOM 96 C ASN A 8 -29.578 -3.887 -2.358 1.00 0.00 C ATOM 97 O ASN A 8 -28.770 -2.955 -2.400 1.00 0.00 O ATOM 98 CB ASN A 8 -31.767 -3.980 -3.553 1.00 0.00 C ATOM 99 CG ASN A 8 -31.940 -2.500 -3.874 1.00 0.00 C ATOM 100 OD1 ASN A 8 -31.455 -1.643 -3.136 1.00 0.00 O ATOM 101 ND2 ASN A 8 -32.610 -2.148 -4.935 1.00 0.00 N ATOM 0 H ASN A 8 -30.375 -6.334 -2.911 1.00 0.00 H new ATOM 0 HA ASN A 8 -29.837 -3.878 -4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -32.339 -4.583 -4.258 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -32.160 -4.194 -2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -32.734 -1.160 -5.156 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -33.011 -2.861 -5.545 1.00 0.00 H new ATOM 108 N GLN A 9 -29.880 -4.547 -1.238 1.00 0.00 N ATOM 109 CA GLN A 9 -29.262 -4.207 0.038 1.00 0.00 C ATOM 110 C GLN A 9 -27.997 -5.037 0.245 1.00 0.00 C ATOM 111 O GLN A 9 -27.972 -6.230 -0.072 1.00 0.00 O ATOM 112 CB GLN A 9 -30.243 -4.471 1.185 1.00 0.00 C ATOM 113 CG GLN A 9 -29.762 -3.756 2.449 1.00 0.00 C ATOM 114 CD GLN A 9 -30.931 -3.545 3.407 1.00 0.00 C ATOM 115 OE1 GLN A 9 -31.019 -4.213 4.438 1.00 0.00 O ATOM 116 NE2 GLN A 9 -31.839 -2.652 3.125 1.00 0.00 N ATOM 0 H GLN A 9 -30.547 -5.317 -1.192 1.00 0.00 H new ATOM 0 HA GLN A 9 -28.999 -3.149 0.028 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -31.238 -4.120 0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -30.322 -5.542 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -28.984 -4.344 2.936 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -29.318 -2.796 2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -31.764 -2.100 2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -32.624 -2.505 3.759 1.00 0.00 H new ATOM 125 N THR A 10 -26.953 -4.398 0.773 1.00 0.00 N ATOM 126 CA THR A 10 -25.685 -5.078 1.019 1.00 0.00 C ATOM 127 C THR A 10 -24.965 -4.425 2.208 1.00 0.00 C ATOM 128 O THR A 10 -24.219 -3.459 2.022 1.00 0.00 O ATOM 129 CB THR A 10 -24.809 -5.006 -0.238 1.00 0.00 C ATOM 130 OG1 THR A 10 -25.597 -5.326 -1.377 1.00 0.00 O ATOM 131 CG2 THR A 10 -23.658 -6.006 -0.119 1.00 0.00 C ATOM 0 H THR A 10 -26.962 -3.413 1.037 1.00 0.00 H new ATOM 0 HA THR A 10 -25.876 -6.124 1.258 1.00 0.00 H new ATOM 0 HB THR A 10 -24.404 -4.000 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.041 -5.280 -2.183 1.00 0.00 H new ATOM 0 HG21 THR A 10 -23.037 -5.954 -1.013 1.00 0.00 H new ATOM 0 HG22 THR A 10 -23.055 -5.765 0.757 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.061 -7.014 -0.016 1.00 0.00 H new ATOM 139 N PRO A 11 -25.182 -4.908 3.427 1.00 0.00 N ATOM 140 CA PRO A 11 -24.543 -4.320 4.647 1.00 0.00 C ATOM 141 C PRO A 11 -23.016 -4.342 4.581 1.00 0.00 C ATOM 142 O PRO A 11 -22.428 -5.044 3.754 1.00 0.00 O ATOM 143 CB PRO A 11 -25.054 -5.188 5.808 1.00 0.00 C ATOM 144 CG PRO A 11 -26.252 -5.908 5.283 1.00 0.00 C ATOM 145 CD PRO A 11 -26.046 -6.054 3.781 1.00 0.00 C ATOM 0 HA PRO A 11 -24.803 -3.267 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.289 -5.891 6.137 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -25.314 -4.574 6.670 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -26.356 -6.884 5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -27.164 -5.351 5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -25.571 -7.003 3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.993 -6.021 3.243 1.00 0.00 H new ATOM 153 N GLY A 12 -22.382 -3.563 5.462 1.00 0.00 N ATOM 154 CA GLY A 12 -20.925 -3.486 5.510 1.00 0.00 C ATOM 155 C GLY A 12 -20.363 -2.614 4.375 1.00 0.00 C ATOM 156 O GLY A 12 -19.392 -3.016 3.730 1.00 0.00 O ATOM 0 H GLY A 12 -22.857 -2.978 6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -20.614 -3.077 6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.505 -4.489 5.440 1.00 0.00 H new ATOM 160 N PRO A 13 -20.941 -1.447 4.096 1.00 0.00 N ATOM 161 CA PRO A 13 -20.446 -0.568 2.994 1.00 0.00 C ATOM 162 C PRO A 13 -19.068 0.009 3.313 1.00 0.00 C ATOM 163 O PRO A 13 -18.958 1.069 3.930 1.00 0.00 O ATOM 164 CB PRO A 13 -21.504 0.532 2.881 1.00 0.00 C ATOM 165 CG PRO A 13 -22.171 0.580 4.212 1.00 0.00 C ATOM 166 CD PRO A 13 -22.098 -0.832 4.788 1.00 0.00 C ATOM 0 HA PRO A 13 -20.317 -1.113 2.059 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -21.048 1.491 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.220 0.308 2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -21.673 1.293 4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.207 0.906 4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.953 -0.815 5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -23.017 -1.387 4.599 1.00 0.00 H new ATOM 174 N MET A 14 -18.022 -0.708 2.896 1.00 0.00 N ATOM 175 CA MET A 14 -16.646 -0.279 3.146 1.00 0.00 C ATOM 176 C MET A 14 -16.328 1.029 2.410 1.00 0.00 C ATOM 177 O MET A 14 -15.728 1.018 1.331 1.00 0.00 O ATOM 178 CB MET A 14 -15.664 -1.371 2.698 1.00 0.00 C ATOM 179 CG MET A 14 -15.708 -2.553 3.670 1.00 0.00 C ATOM 180 SD MET A 14 -14.817 -2.133 5.191 1.00 0.00 S ATOM 181 CE MET A 14 -14.638 -3.821 5.824 1.00 0.00 C ATOM 0 H MET A 14 -18.102 -1.587 2.385 1.00 0.00 H new ATOM 0 HA MET A 14 -16.539 -0.106 4.217 1.00 0.00 H new ATOM 0 HB2 MET A 14 -15.917 -1.708 1.693 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.653 -0.965 2.653 1.00 0.00 H new ATOM 0 HG2 MET A 14 -16.742 -2.806 3.902 1.00 0.00 H new ATOM 0 HG3 MET A 14 -15.261 -3.433 3.207 1.00 0.00 H new ATOM 0 HE1 MET A 14 -14.106 -3.798 6.775 1.00 0.00 H new ATOM 0 HE2 MET A 14 -15.624 -4.261 5.971 1.00 0.00 H new ATOM 0 HE3 MET A 14 -14.076 -4.420 5.108 1.00 0.00 H new ATOM 191 N LEU A 15 -16.718 2.152 3.013 1.00 0.00 N ATOM 192 CA LEU A 15 -16.451 3.463 2.427 1.00 0.00 C ATOM 193 C LEU A 15 -15.010 3.860 2.737 1.00 0.00 C ATOM 194 O LEU A 15 -14.476 3.482 3.782 1.00 0.00 O ATOM 195 CB LEU A 15 -17.438 4.508 2.984 1.00 0.00 C ATOM 196 CG LEU A 15 -18.593 4.718 1.988 1.00 0.00 C ATOM 197 CD1 LEU A 15 -19.472 3.467 1.937 1.00 0.00 C ATOM 198 CD2 LEU A 15 -19.445 5.906 2.429 1.00 0.00 C ATOM 0 H LEU A 15 -17.217 2.179 3.902 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.586 3.418 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -17.830 4.175 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.922 5.452 3.160 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.175 4.911 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -20.287 3.623 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.873 2.614 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -19.883 3.271 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -20.261 6.051 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.854 5.712 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.828 6.804 2.461 1.00 0.00 H new ATOM 210 N CYS A 16 -14.367 4.600 1.816 1.00 0.00 N ATOM 211 CA CYS A 16 -12.965 5.016 2.008 1.00 0.00 C ATOM 212 C CYS A 16 -12.724 5.643 3.396 1.00 0.00 C ATOM 213 O CYS A 16 -13.292 6.684 3.735 1.00 0.00 O ATOM 214 CB CYS A 16 -12.535 6.005 0.925 1.00 0.00 C ATOM 215 SG CYS A 16 -10.724 6.101 0.912 1.00 0.00 S ATOM 0 H CYS A 16 -14.788 4.919 0.943 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.363 4.110 1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.903 5.683 -0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.964 6.988 1.119 1.00 0.00 H new ATOM 220 N SER A 17 -11.891 4.963 4.187 1.00 0.00 N ATOM 221 CA SER A 17 -11.575 5.402 5.548 1.00 0.00 C ATOM 222 C SER A 17 -10.918 6.787 5.597 1.00 0.00 C ATOM 223 O SER A 17 -10.936 7.431 6.649 1.00 0.00 O ATOM 224 CB SER A 17 -10.656 4.378 6.214 1.00 0.00 C ATOM 225 OG SER A 17 -11.331 3.131 6.293 1.00 0.00 O ATOM 0 H SER A 17 -11.421 4.102 3.907 1.00 0.00 H new ATOM 0 HA SER A 17 -12.521 5.479 6.084 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.734 4.271 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.375 4.717 7.211 1.00 0.00 H new ATOM 0 HG SER A 17 -10.746 2.469 6.718 1.00 0.00 H new ATOM 231 N THR A 18 -10.339 7.250 4.482 1.00 0.00 N ATOM 232 CA THR A 18 -9.690 8.567 4.466 1.00 0.00 C ATOM 233 C THR A 18 -10.704 9.711 4.296 1.00 0.00 C ATOM 234 O THR A 18 -10.352 10.874 4.501 1.00 0.00 O ATOM 235 CB THR A 18 -8.634 8.637 3.355 1.00 0.00 C ATOM 236 OG1 THR A 18 -9.246 8.386 2.102 1.00 0.00 O ATOM 237 CG2 THR A 18 -7.537 7.596 3.614 1.00 0.00 C ATOM 0 H THR A 18 -10.306 6.745 3.597 1.00 0.00 H new ATOM 0 HA THR A 18 -9.205 8.693 5.434 1.00 0.00 H new ATOM 0 HB THR A 18 -8.187 9.631 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.409 7.425 2.004 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.790 7.650 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.063 7.798 4.575 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.978 6.599 3.630 1.00 0.00 H new ATOM 245 N GLY A 19 -11.962 9.389 3.943 1.00 0.00 N ATOM 246 CA GLY A 19 -12.995 10.417 3.786 1.00 0.00 C ATOM 247 C GLY A 19 -13.194 10.827 2.326 1.00 0.00 C ATOM 248 O GLY A 19 -13.378 12.010 2.035 1.00 0.00 O ATOM 0 H GLY A 19 -12.280 8.437 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.938 10.045 4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.723 11.294 4.373 1.00 0.00 H new ATOM 252 N CYS A 20 -13.165 9.851 1.418 1.00 0.00 N ATOM 253 CA CYS A 20 -13.359 10.133 -0.008 1.00 0.00 C ATOM 254 C CYS A 20 -14.839 10.120 -0.391 1.00 0.00 C ATOM 255 O CYS A 20 -15.234 10.779 -1.355 1.00 0.00 O ATOM 256 CB CYS A 20 -12.630 9.101 -0.874 1.00 0.00 C ATOM 257 SG CYS A 20 -10.854 9.431 -0.857 1.00 0.00 S ATOM 0 H CYS A 20 -13.011 8.867 1.639 1.00 0.00 H new ATOM 0 HA CYS A 20 -12.950 11.127 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -12.826 8.096 -0.500 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -13.006 9.140 -1.896 1.00 0.00 H new ATOM 262 N GLY A 21 -15.643 9.338 0.334 1.00 0.00 N ATOM 263 CA GLY A 21 -17.072 9.220 0.020 1.00 0.00 C ATOM 264 C GLY A 21 -17.321 8.184 -1.093 1.00 0.00 C ATOM 265 O GLY A 21 -18.447 8.053 -1.576 1.00 0.00 O ATOM 0 H GLY A 21 -15.336 8.783 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.620 8.931 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.459 10.190 -0.291 1.00 0.00 H new ATOM 269 N PHE A 22 -16.270 7.439 -1.483 1.00 0.00 N ATOM 270 CA PHE A 22 -16.387 6.419 -2.517 1.00 0.00 C ATOM 271 C PHE A 22 -16.346 5.037 -1.869 1.00 0.00 C ATOM 272 O PHE A 22 -16.304 4.928 -0.639 1.00 0.00 O ATOM 273 CB PHE A 22 -15.239 6.563 -3.530 1.00 0.00 C ATOM 274 CG PHE A 22 -15.390 7.860 -4.306 1.00 0.00 C ATOM 275 CD1 PHE A 22 -16.581 8.143 -4.995 1.00 0.00 C ATOM 276 CD2 PHE A 22 -14.335 8.782 -4.335 1.00 0.00 C ATOM 277 CE1 PHE A 22 -16.713 9.341 -5.707 1.00 0.00 C ATOM 278 CE2 PHE A 22 -14.469 9.983 -5.049 1.00 0.00 C ATOM 279 CZ PHE A 22 -15.659 10.261 -5.733 1.00 0.00 C ATOM 0 H PHE A 22 -15.333 7.532 -1.091 1.00 0.00 H new ATOM 0 HA PHE A 22 -17.333 6.543 -3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -14.281 6.550 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -15.241 5.717 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.396 7.435 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -13.417 8.568 -3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -17.629 9.555 -6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -13.655 10.692 -5.071 1.00 0.00 H new ATOM 0 HZ PHE A 22 -15.763 11.186 -6.281 1.00 0.00 H new ATOM 289 N TYR A 23 -16.359 3.988 -2.692 1.00 0.00 N ATOM 290 CA TYR A 23 -16.328 2.621 -2.174 1.00 0.00 C ATOM 291 C TYR A 23 -14.902 2.079 -2.112 1.00 0.00 C ATOM 292 O TYR A 23 -14.091 2.330 -3.004 1.00 0.00 O ATOM 293 CB TYR A 23 -17.188 1.706 -3.053 1.00 0.00 C ATOM 294 CG TYR A 23 -17.635 0.503 -2.252 1.00 0.00 C ATOM 295 CD1 TYR A 23 -18.410 0.676 -1.098 1.00 0.00 C ATOM 296 CD2 TYR A 23 -17.271 -0.785 -2.661 1.00 0.00 C ATOM 297 CE1 TYR A 23 -18.820 -0.435 -0.355 1.00 0.00 C ATOM 298 CE2 TYR A 23 -17.682 -1.899 -1.918 1.00 0.00 C ATOM 299 CZ TYR A 23 -18.456 -1.725 -0.764 1.00 0.00 C ATOM 300 OH TYR A 23 -18.857 -2.824 -0.028 1.00 0.00 O ATOM 0 H TYR A 23 -16.390 4.057 -3.709 1.00 0.00 H new ATOM 0 HA TYR A 23 -16.730 2.640 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -18.056 2.252 -3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -16.619 1.383 -3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -18.691 1.670 -0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -16.673 -0.920 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -19.417 -0.299 0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -17.402 -2.893 -2.235 1.00 0.00 H new ATOM 0 HH TYR A 23 -18.520 -3.641 -0.451 1.00 0.00 H new ATOM 310 N GLY A 24 -14.617 1.315 -1.053 1.00 0.00 N ATOM 311 CA GLY A 24 -13.298 0.710 -0.867 1.00 0.00 C ATOM 312 C GLY A 24 -13.400 -0.806 -0.982 1.00 0.00 C ATOM 313 O GLY A 24 -14.504 -1.357 -1.005 1.00 0.00 O ATOM 0 H GLY A 24 -15.284 1.102 -0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.604 1.094 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.898 0.983 0.109 1.00 0.00 H new ATOM 317 N ASN A 25 -12.247 -1.478 -1.051 1.00 0.00 N ATOM 318 CA ASN A 25 -12.223 -2.940 -1.164 1.00 0.00 C ATOM 319 C ASN A 25 -11.640 -3.571 0.111 1.00 0.00 C ATOM 320 O ASN A 25 -10.657 -3.059 0.650 1.00 0.00 O ATOM 321 CB ASN A 25 -11.378 -3.359 -2.369 1.00 0.00 C ATOM 322 CG ASN A 25 -11.833 -4.724 -2.877 1.00 0.00 C ATOM 323 OD1 ASN A 25 -11.242 -5.743 -2.525 1.00 0.00 O ATOM 324 ND2 ASN A 25 -12.854 -4.807 -3.683 1.00 0.00 N ATOM 0 H ASN A 25 -11.327 -1.039 -1.031 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.247 -3.290 -1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.469 -2.618 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.325 -3.398 -2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.163 -5.718 -4.022 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.344 -3.961 -3.974 1.00 0.00 H new ATOM 331 N PRO A 26 -12.209 -4.667 0.608 1.00 0.00 N ATOM 332 CA PRO A 26 -11.693 -5.339 1.839 1.00 0.00 C ATOM 333 C PRO A 26 -10.386 -6.094 1.591 1.00 0.00 C ATOM 334 O PRO A 26 -9.572 -6.240 2.507 1.00 0.00 O ATOM 335 CB PRO A 26 -12.818 -6.288 2.241 1.00 0.00 C ATOM 336 CG PRO A 26 -13.549 -6.596 0.977 1.00 0.00 C ATOM 337 CD PRO A 26 -13.388 -5.381 0.064 1.00 0.00 C ATOM 0 HA PRO A 26 -11.446 -4.619 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.422 -7.196 2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.479 -5.825 2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.143 -7.491 0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.602 -6.791 1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -13.229 -5.680 -0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.277 -4.751 0.080 1.00 0.00 H new ATOM 345 N ARG A 27 -10.174 -6.541 0.348 1.00 0.00 N ATOM 346 CA ARG A 27 -8.939 -7.242 -0.003 1.00 0.00 C ATOM 347 C ARG A 27 -7.788 -6.237 -0.055 1.00 0.00 C ATOM 348 O ARG A 27 -6.665 -6.544 0.351 1.00 0.00 O ATOM 349 CB ARG A 27 -9.085 -7.933 -1.361 1.00 0.00 C ATOM 350 CG ARG A 27 -10.162 -9.017 -1.278 1.00 0.00 C ATOM 351 CD ARG A 27 -10.642 -9.359 -2.689 1.00 0.00 C ATOM 352 NE ARG A 27 -11.252 -10.692 -2.708 1.00 0.00 N ATOM 353 CZ ARG A 27 -12.060 -11.106 -3.699 1.00 0.00 C ATOM 354 NH1 ARG A 27 -12.338 -10.342 -4.735 1.00 0.00 N ATOM 355 NH2 ARG A 27 -12.581 -12.299 -3.630 1.00 0.00 N ATOM 0 H ARG A 27 -10.834 -6.431 -0.422 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.732 -8.001 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.350 -7.202 -2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.134 -8.374 -1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.762 -9.907 -0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.998 -8.670 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.365 -8.616 -3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.803 -9.325 -3.384 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.055 -11.331 -1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.936 -9.407 -4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.955 -10.685 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.373 -12.901 -2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.197 -12.630 -4.373 1.00 0.00 H new ATOM 369 N THR A 28 -8.091 -5.019 -0.527 1.00 0.00 N ATOM 370 CA THR A 28 -7.097 -3.955 -0.593 1.00 0.00 C ATOM 371 C THR A 28 -6.884 -3.415 0.833 1.00 0.00 C ATOM 372 O THR A 28 -7.110 -4.146 1.800 1.00 0.00 O ATOM 373 CB THR A 28 -7.579 -2.848 -1.557 1.00 0.00 C ATOM 374 OG1 THR A 28 -8.746 -2.237 -1.024 1.00 0.00 O ATOM 375 CG2 THR A 28 -7.884 -3.445 -2.933 1.00 0.00 C ATOM 0 H THR A 28 -9.016 -4.753 -0.866 1.00 0.00 H new ATOM 0 HA THR A 28 -6.148 -4.329 -0.978 1.00 0.00 H new ATOM 0 HB THR A 28 -6.795 -2.099 -1.668 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.170 -2.845 -0.384 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.223 -2.656 -3.605 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.982 -3.904 -3.338 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.664 -4.200 -2.837 1.00 0.00 H new ATOM 383 N ASN A 29 -6.450 -2.156 0.976 1.00 0.00 N ATOM 384 CA ASN A 29 -6.216 -1.569 2.297 1.00 0.00 C ATOM 385 C ASN A 29 -7.470 -0.867 2.851 1.00 0.00 C ATOM 386 O ASN A 29 -7.347 0.089 3.626 1.00 0.00 O ATOM 387 CB ASN A 29 -5.040 -0.577 2.216 1.00 0.00 C ATOM 388 CG ASN A 29 -4.044 -0.833 3.345 1.00 0.00 C ATOM 389 OD1 ASN A 29 -3.971 -0.060 4.295 1.00 0.00 O ATOM 390 ND2 ASN A 29 -3.271 -1.881 3.289 1.00 0.00 N ATOM 0 H ASN A 29 -6.255 -1.529 0.196 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.972 -2.378 2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.540 -0.675 1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.414 0.445 2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.602 -2.062 4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.336 -2.521 2.497 1.00 0.00 H new ATOM 397 N GLY A 30 -8.670 -1.335 2.474 1.00 0.00 N ATOM 398 CA GLY A 30 -9.908 -0.725 2.963 1.00 0.00 C ATOM 399 C GLY A 30 -10.096 0.709 2.448 1.00 0.00 C ATOM 400 O GLY A 30 -10.901 1.460 3.001 1.00 0.00 O ATOM 0 H GLY A 30 -8.805 -2.123 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.757 -1.334 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.901 -0.719 4.053 1.00 0.00 H new ATOM 404 N MET A 31 -9.357 1.087 1.394 1.00 0.00 N ATOM 405 CA MET A 31 -9.458 2.433 0.826 1.00 0.00 C ATOM 406 C MET A 31 -9.790 2.343 -0.658 1.00 0.00 C ATOM 407 O MET A 31 -9.936 1.241 -1.196 1.00 0.00 O ATOM 408 CB MET A 31 -8.153 3.207 1.041 1.00 0.00 C ATOM 409 CG MET A 31 -7.806 3.212 2.535 1.00 0.00 C ATOM 410 SD MET A 31 -6.657 4.559 2.891 1.00 0.00 S ATOM 411 CE MET A 31 -5.778 3.753 4.251 1.00 0.00 C ATOM 0 H MET A 31 -8.687 0.480 0.922 1.00 0.00 H new ATOM 0 HA MET A 31 -10.258 2.972 1.334 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.346 2.747 0.470 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.259 4.229 0.677 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.713 3.329 3.128 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.361 2.258 2.818 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.835 4.269 4.431 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.390 3.790 5.152 1.00 0.00 H new ATOM 0 HE3 MET A 31 -5.579 2.714 3.990 1.00 0.00 H new ATOM 421 N CYS A 32 -9.921 3.494 -1.316 1.00 0.00 N ATOM 422 CA CYS A 32 -10.253 3.522 -2.733 1.00 0.00 C ATOM 423 C CYS A 32 -8.984 3.344 -3.591 1.00 0.00 C ATOM 424 O CYS A 32 -7.905 3.089 -3.057 1.00 0.00 O ATOM 425 CB CYS A 32 -11.033 4.819 -3.061 1.00 0.00 C ATOM 426 SG CYS A 32 -9.981 6.302 -2.956 1.00 0.00 S ATOM 0 H CYS A 32 -9.802 4.413 -0.890 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.906 2.684 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.453 4.744 -4.064 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -11.871 4.921 -2.371 1.00 0.00 H new ATOM 431 N SER A 33 -9.134 3.441 -4.913 1.00 0.00 N ATOM 432 CA SER A 33 -8.004 3.245 -5.836 1.00 0.00 C ATOM 433 C SER A 33 -6.937 4.343 -5.707 1.00 0.00 C ATOM 434 O SER A 33 -5.739 4.051 -5.686 1.00 0.00 O ATOM 435 CB SER A 33 -8.528 3.200 -7.281 1.00 0.00 C ATOM 436 OG SER A 33 -7.852 2.171 -7.993 1.00 0.00 O ATOM 0 H SER A 33 -10.020 3.653 -5.371 1.00 0.00 H new ATOM 0 HA SER A 33 -7.527 2.301 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.602 3.016 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.368 4.162 -7.769 1.00 0.00 H new ATOM 0 HG SER A 33 -8.184 2.138 -8.914 1.00 0.00 H new ATOM 442 N VAL A 34 -7.378 5.598 -5.653 1.00 0.00 N ATOM 443 CA VAL A 34 -6.453 6.740 -5.564 1.00 0.00 C ATOM 444 C VAL A 34 -5.694 6.742 -4.230 1.00 0.00 C ATOM 445 O VAL A 34 -4.518 7.109 -4.174 1.00 0.00 O ATOM 446 CB VAL A 34 -7.221 8.070 -5.709 1.00 0.00 C ATOM 447 CG1 VAL A 34 -6.228 9.208 -5.957 1.00 0.00 C ATOM 448 CG2 VAL A 34 -8.201 8.006 -6.889 1.00 0.00 C ATOM 0 H VAL A 34 -8.365 5.856 -5.669 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.734 6.640 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.780 8.246 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.770 10.148 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.537 9.277 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.669 9.010 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.732 8.954 -6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.650 7.816 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.918 7.202 -6.723 1.00 0.00 H new ATOM 458 N CYS A 35 -6.388 6.350 -3.165 1.00 0.00 N ATOM 459 CA CYS A 35 -5.807 6.326 -1.821 1.00 0.00 C ATOM 460 C CYS A 35 -4.816 5.176 -1.637 1.00 0.00 C ATOM 461 O CYS A 35 -3.789 5.340 -0.976 1.00 0.00 O ATOM 462 CB CYS A 35 -6.929 6.177 -0.785 1.00 0.00 C ATOM 463 SG CYS A 35 -7.716 7.782 -0.494 1.00 0.00 S ATOM 0 H CYS A 35 -7.360 6.042 -3.205 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.267 7.263 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.669 5.458 -1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.524 5.786 0.149 1.00 0.00 H new ATOM 468 N TYR A 36 -5.150 4.008 -2.187 1.00 0.00 N ATOM 469 CA TYR A 36 -4.303 2.822 -2.035 1.00 0.00 C ATOM 470 C TYR A 36 -2.916 3.015 -2.644 1.00 0.00 C ATOM 471 O TYR A 36 -1.933 2.481 -2.123 1.00 0.00 O ATOM 472 CB TYR A 36 -5.000 1.591 -2.650 1.00 0.00 C ATOM 473 CG TYR A 36 -4.226 0.316 -2.340 1.00 0.00 C ATOM 474 CD1 TYR A 36 -3.804 0.036 -1.030 1.00 0.00 C ATOM 475 CD2 TYR A 36 -3.933 -0.585 -3.370 1.00 0.00 C ATOM 476 CE1 TYR A 36 -3.095 -1.139 -0.756 1.00 0.00 C ATOM 477 CE2 TYR A 36 -3.223 -1.760 -3.093 1.00 0.00 C ATOM 478 CZ TYR A 36 -2.806 -2.038 -1.788 1.00 0.00 C ATOM 479 OH TYR A 36 -2.108 -3.198 -1.517 1.00 0.00 O ATOM 0 H TYR A 36 -5.995 3.857 -2.738 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.159 2.659 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.014 1.509 -2.259 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.084 1.717 -3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.027 0.729 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.255 -0.374 -4.379 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.771 -1.352 0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.997 -2.453 -3.890 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.993 -3.711 -2.344 1.00 0.00 H new ATOM 489 N LYS A 37 -2.833 3.774 -3.730 1.00 0.00 N ATOM 490 CA LYS A 37 -1.552 4.026 -4.376 1.00 0.00 C ATOM 491 C LYS A 37 -0.786 5.109 -3.609 1.00 0.00 C ATOM 492 O LYS A 37 0.416 4.978 -3.364 1.00 0.00 O ATOM 493 CB LYS A 37 -1.787 4.449 -5.843 1.00 0.00 C ATOM 494 CG LYS A 37 -1.476 3.277 -6.788 1.00 0.00 C ATOM 495 CD LYS A 37 -2.687 2.339 -6.858 1.00 0.00 C ATOM 496 CE LYS A 37 -2.225 0.929 -7.247 1.00 0.00 C ATOM 497 NZ LYS A 37 -1.849 0.907 -8.690 1.00 0.00 N ATOM 0 H LYS A 37 -3.632 4.223 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.953 3.116 -4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.820 4.769 -5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.155 5.302 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.236 3.652 -7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.601 2.732 -6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.195 2.313 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.406 2.711 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.374 0.632 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.021 0.209 -7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.536 -0.049 -8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.672 1.173 -9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.076 1.582 -8.858 1.00 0.00 H new ATOM 511 N GLU A 38 -1.493 6.185 -3.263 1.00 0.00 N ATOM 512 CA GLU A 38 -0.889 7.315 -2.556 1.00 0.00 C ATOM 513 C GLU A 38 -0.355 6.939 -1.172 1.00 0.00 C ATOM 514 O GLU A 38 0.761 7.334 -0.820 1.00 0.00 O ATOM 515 CB GLU A 38 -1.915 8.445 -2.394 1.00 0.00 C ATOM 516 CG GLU A 38 -2.188 9.093 -3.752 1.00 0.00 C ATOM 517 CD GLU A 38 -1.006 9.975 -4.154 1.00 0.00 C ATOM 518 OE1 GLU A 38 -0.952 11.103 -3.695 1.00 0.00 O ATOM 519 OE2 GLU A 38 -0.174 9.507 -4.913 1.00 0.00 O ATOM 0 H GLU A 38 -2.487 6.298 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.044 7.640 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.841 8.051 -1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.541 9.191 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.351 8.323 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.099 9.690 -3.703 1.00 0.00 H new ATOM 526 N HIS A 39 -1.153 6.214 -0.373 1.00 0.00 N ATOM 527 CA HIS A 39 -0.711 5.865 0.985 1.00 0.00 C ATOM 528 C HIS A 39 0.317 4.726 0.990 1.00 0.00 C ATOM 529 O HIS A 39 1.299 4.789 1.732 1.00 0.00 O ATOM 530 CB HIS A 39 -1.915 5.613 1.925 1.00 0.00 C ATOM 531 CG HIS A 39 -2.530 4.242 1.773 1.00 0.00 C ATOM 532 ND1 HIS A 39 -3.870 4.083 1.469 1.00 0.00 N ATOM 533 CD2 HIS A 39 -2.041 2.977 1.978 1.00 0.00 C ATOM 534 CE1 HIS A 39 -4.145 2.767 1.512 1.00 0.00 C ATOM 535 NE2 HIS A 39 -3.065 2.047 1.817 1.00 0.00 N ATOM 0 H HIS A 39 -2.077 5.868 -0.632 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.183 6.728 1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.591 5.743 2.958 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.678 6.367 1.733 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.531 4.829 1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.017 2.738 2.227 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.121 2.345 1.323 1.00 0.00 H new ATOM 544 N LEU A 40 0.111 3.713 0.145 1.00 0.00 N ATOM 545 CA LEU A 40 1.066 2.592 0.054 1.00 0.00 C ATOM 546 C LEU A 40 2.463 3.094 -0.372 1.00 0.00 C ATOM 547 O LEU A 40 3.482 2.484 -0.038 1.00 0.00 O ATOM 548 CB LEU A 40 0.556 1.554 -0.960 1.00 0.00 C ATOM 549 CG LEU A 40 1.388 0.265 -0.872 1.00 0.00 C ATOM 550 CD1 LEU A 40 1.197 -0.399 0.496 1.00 0.00 C ATOM 551 CD2 LEU A 40 0.933 -0.706 -1.968 1.00 0.00 C ATOM 0 H LEU A 40 -0.693 3.640 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 40 1.150 2.130 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.493 1.331 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.613 1.963 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 40 2.441 0.514 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.792 -1.311 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.518 0.286 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.145 -0.645 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.521 -1.622 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.122 -0.942 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.076 -0.245 -2.945 1.00 0.00 H new ATOM 563 N GLN A 41 2.487 4.214 -1.107 1.00 0.00 N ATOM 564 CA GLN A 41 3.743 4.806 -1.573 1.00 0.00 C ATOM 565 C GLN A 41 4.564 5.331 -0.386 1.00 0.00 C ATOM 566 O GLN A 41 5.791 5.218 -0.375 1.00 0.00 O ATOM 567 CB GLN A 41 3.445 5.954 -2.560 1.00 0.00 C ATOM 568 CG GLN A 41 3.789 5.529 -3.990 1.00 0.00 C ATOM 569 CD GLN A 41 3.629 6.716 -4.933 1.00 0.00 C ATOM 570 OE1 GLN A 41 2.620 6.826 -5.627 1.00 0.00 O ATOM 571 NE2 GLN A 41 4.567 7.620 -4.993 1.00 0.00 N ATOM 0 H GLN A 41 1.651 4.726 -1.390 1.00 0.00 H new ATOM 0 HA GLN A 41 4.325 4.038 -2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.393 6.231 -2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.023 6.837 -2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.812 5.155 -4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.138 4.713 -4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.403 7.526 -4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.465 8.421 -5.617 1.00 0.00 H new ATOM 580 N ARG A 42 3.876 5.910 0.601 1.00 0.00 N ATOM 581 CA ARG A 42 4.545 6.461 1.785 1.00 0.00 C ATOM 582 C ARG A 42 5.005 5.357 2.742 1.00 0.00 C ATOM 583 O ARG A 42 6.005 5.520 3.444 1.00 0.00 O ATOM 584 CB ARG A 42 3.599 7.418 2.518 1.00 0.00 C ATOM 585 CG ARG A 42 3.311 8.632 1.629 1.00 0.00 C ATOM 586 CD ARG A 42 2.459 9.643 2.395 1.00 0.00 C ATOM 587 NE ARG A 42 2.440 10.934 1.697 1.00 0.00 N ATOM 588 CZ ARG A 42 1.711 11.983 2.125 1.00 0.00 C ATOM 589 NH1 ARG A 42 0.909 11.891 3.166 1.00 0.00 N ATOM 590 NH2 ARG A 42 1.793 13.117 1.485 1.00 0.00 N ATOM 0 H ARG A 42 2.861 6.010 0.606 1.00 0.00 H new ATOM 0 HA ARG A 42 5.429 7.001 1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.669 6.907 2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.047 7.740 3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.247 9.095 1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.792 8.317 0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.442 9.265 2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.856 9.773 3.402 1.00 0.00 H new ATOM 0 HE ARG A 42 3.002 11.041 0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.828 11.008 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.369 12.702 3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.403 13.201 0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.247 13.920 1.798 1.00 0.00 H new ATOM 604 N GLN A 43 4.277 4.234 2.764 1.00 0.00 N ATOM 605 CA GLN A 43 4.629 3.112 3.637 1.00 0.00 C ATOM 606 C GLN A 43 5.779 2.299 3.046 1.00 0.00 C ATOM 607 O GLN A 43 6.621 1.779 3.782 1.00 0.00 O ATOM 608 CB GLN A 43 3.416 2.199 3.833 1.00 0.00 C ATOM 609 CG GLN A 43 2.355 2.926 4.656 1.00 0.00 C ATOM 610 CD GLN A 43 1.105 2.064 4.758 1.00 0.00 C ATOM 611 OE1 GLN A 43 1.199 0.855 4.979 1.00 0.00 O ATOM 612 NE2 GLN A 43 -0.065 2.617 4.608 1.00 0.00 N ATOM 0 H GLN A 43 3.447 4.080 2.191 1.00 0.00 H new ATOM 0 HA GLN A 43 4.943 3.519 4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.005 1.910 2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.717 1.281 4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.740 3.144 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.112 3.882 4.191 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.136 3.618 4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.910 2.049 4.673 1.00 0.00 H new ATOM 621 N GLN A 44 5.804 2.193 1.714 1.00 0.00 N ATOM 622 CA GLN A 44 6.851 1.437 1.026 1.00 0.00 C ATOM 623 C GLN A 44 8.202 2.143 1.155 1.00 0.00 C ATOM 624 O GLN A 44 9.223 1.499 1.406 1.00 0.00 O ATOM 625 CB GLN A 44 6.487 1.283 -0.455 1.00 0.00 C ATOM 626 CG GLN A 44 7.173 0.043 -1.035 1.00 0.00 C ATOM 627 CD GLN A 44 6.962 -0.003 -2.546 1.00 0.00 C ATOM 628 OE1 GLN A 44 7.927 -0.075 -3.306 1.00 0.00 O ATOM 629 NE2 GLN A 44 5.750 0.033 -3.026 1.00 0.00 N ATOM 0 H GLN A 44 5.115 2.619 1.095 1.00 0.00 H new ATOM 0 HA GLN A 44 6.929 0.453 1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.406 1.196 -0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.794 2.171 -1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.239 0.065 -0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.768 -0.858 -0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.952 0.093 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.600 0.001 -4.034 1.00 0.00 H new ATOM 638 N ASN A 45 8.198 3.467 0.982 1.00 0.00 N ATOM 639 CA ASN A 45 9.432 4.253 1.081 1.00 0.00 C ATOM 640 C ASN A 45 10.006 4.235 2.504 1.00 0.00 C ATOM 641 O ASN A 45 11.194 4.509 2.694 1.00 0.00 O ATOM 642 CB ASN A 45 9.165 5.703 0.658 1.00 0.00 C ATOM 643 CG ASN A 45 9.197 5.820 -0.863 1.00 0.00 C ATOM 644 OD1 ASN A 45 10.194 6.266 -1.429 1.00 0.00 O ATOM 645 ND2 ASN A 45 8.162 5.446 -1.560 1.00 0.00 N ATOM 0 H ASN A 45 7.363 4.014 0.774 1.00 0.00 H new ATOM 0 HA ASN A 45 10.165 3.799 0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.195 6.027 1.035 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.914 6.362 1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.177 5.523 -2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.336 5.076 -1.089 1.00 0.00 H new ATOM 652 N SER A 46 9.167 3.921 3.506 1.00 0.00 N ATOM 653 CA SER A 46 9.616 3.884 4.904 1.00 0.00 C ATOM 654 C SER A 46 10.726 2.849 5.105 1.00 0.00 C ATOM 655 O SER A 46 11.806 3.179 5.596 1.00 0.00 O ATOM 656 CB SER A 46 8.441 3.552 5.825 1.00 0.00 C ATOM 657 OG SER A 46 8.800 3.849 7.168 1.00 0.00 O ATOM 0 H SER A 46 8.182 3.691 3.373 1.00 0.00 H new ATOM 0 HA SER A 46 10.012 4.869 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.562 4.128 5.535 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.177 2.499 5.731 1.00 0.00 H new ATOM 0 HG SER A 46 8.049 3.639 7.761 1.00 0.00 H new ATOM 663 N GLY A 47 10.450 1.600 4.719 1.00 0.00 N ATOM 664 CA GLY A 47 11.433 0.529 4.860 1.00 0.00 C ATOM 665 C GLY A 47 10.761 -0.806 5.169 1.00 0.00 C ATOM 666 O GLY A 47 10.911 -1.342 6.269 1.00 0.00 O ATOM 0 H GLY A 47 9.562 1.310 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.013 0.442 3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.134 0.779 5.657 1.00 0.00 H new ATOM 670 N ARG A 48 10.031 -1.342 4.187 1.00 0.00 N ATOM 671 CA ARG A 48 9.343 -2.625 4.352 1.00 0.00 C ATOM 672 C ARG A 48 9.788 -3.603 3.269 1.00 0.00 C ATOM 673 O ARG A 48 9.886 -3.236 2.096 1.00 0.00 O ATOM 674 CB ARG A 48 7.828 -2.432 4.268 1.00 0.00 C ATOM 675 CG ARG A 48 7.126 -3.659 4.856 1.00 0.00 C ATOM 676 CD ARG A 48 5.670 -3.316 5.165 1.00 0.00 C ATOM 677 NE ARG A 48 5.577 -2.588 6.435 1.00 0.00 N ATOM 678 CZ ARG A 48 4.427 -2.471 7.126 1.00 0.00 C ATOM 679 NH1 ARG A 48 3.305 -3.017 6.707 1.00 0.00 N ATOM 680 NH2 ARG A 48 4.424 -1.797 8.243 1.00 0.00 N ATOM 0 H ARG A 48 9.901 -0.909 3.273 1.00 0.00 H new ATOM 0 HA ARG A 48 9.599 -3.028 5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.534 -1.535 4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.525 -2.288 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.173 -4.490 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.635 -3.982 5.764 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.253 -2.711 4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.077 -4.229 5.217 1.00 0.00 H new ATOM 0 HE ARG A 48 6.419 -2.152 6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.290 -3.547 5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.451 -2.910 7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.285 -1.367 8.582 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.561 -1.700 8.778 1.00 0.00 H new ATOM 694 N MET A 49 10.053 -4.849 3.670 1.00 0.00 N ATOM 695 CA MET A 49 10.486 -5.884 2.732 1.00 0.00 C ATOM 696 C MET A 49 9.497 -7.045 2.731 1.00 0.00 C ATOM 697 O MET A 49 8.550 -7.062 3.522 1.00 0.00 O ATOM 698 CB MET A 49 11.870 -6.407 3.128 1.00 0.00 C ATOM 699 CG MET A 49 12.942 -5.387 2.739 1.00 0.00 C ATOM 700 SD MET A 49 14.581 -6.116 2.985 1.00 0.00 S ATOM 701 CE MET A 49 15.522 -4.920 2.005 1.00 0.00 C ATOM 0 H MET A 49 9.975 -5.164 4.637 1.00 0.00 H new ATOM 0 HA MET A 49 10.531 -5.446 1.735 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.905 -6.593 4.201 1.00 0.00 H new ATOM 0 HB3 MET A 49 12.064 -7.359 2.633 1.00 0.00 H new ATOM 0 HG2 MET A 49 12.816 -5.090 1.698 1.00 0.00 H new ATOM 0 HG3 MET A 49 12.838 -4.485 3.343 1.00 0.00 H new ATOM 0 HE1 MET A 49 16.579 -5.187 2.022 1.00 0.00 H new ATOM 0 HE2 MET A 49 15.162 -4.929 0.976 1.00 0.00 H new ATOM 0 HE3 MET A 49 15.392 -3.923 2.426 1.00 0.00 H new ATOM 711 N SER A 50 9.725 -8.013 1.843 1.00 0.00 N ATOM 712 CA SER A 50 8.855 -9.180 1.748 1.00 0.00 C ATOM 713 C SER A 50 9.644 -10.398 1.249 1.00 0.00 C ATOM 714 O SER A 50 10.667 -10.234 0.580 1.00 0.00 O ATOM 715 CB SER A 50 7.691 -8.893 0.799 1.00 0.00 C ATOM 716 OG SER A 50 8.196 -8.341 -0.409 1.00 0.00 O ATOM 0 H SER A 50 10.502 -8.010 1.183 1.00 0.00 H new ATOM 0 HA SER A 50 8.461 -9.399 2.741 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.141 -9.811 0.591 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.990 -8.200 1.264 1.00 0.00 H new ATOM 0 HG SER A 50 7.453 -8.157 -1.021 1.00 0.00 H new ATOM 722 N PRO A 51 9.203 -11.609 1.559 1.00 0.00 N ATOM 723 CA PRO A 51 9.909 -12.852 1.125 1.00 0.00 C ATOM 724 C PRO A 51 9.631 -13.192 -0.339 1.00 0.00 C ATOM 725 O PRO A 51 10.551 -13.509 -1.095 1.00 0.00 O ATOM 726 CB PRO A 51 9.346 -13.925 2.058 1.00 0.00 C ATOM 727 CG PRO A 51 7.971 -13.462 2.405 1.00 0.00 C ATOM 728 CD PRO A 51 7.993 -11.932 2.351 1.00 0.00 C ATOM 0 HA PRO A 51 10.993 -12.754 1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.321 -14.899 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.962 -14.033 2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.239 -13.863 1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.685 -13.810 3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.093 -11.538 1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.045 -11.500 3.350 1.00 0.00 H new ATOM 736 N MET A 52 8.354 -13.123 -0.729 1.00 0.00 N ATOM 737 CA MET A 52 7.951 -13.424 -2.103 1.00 0.00 C ATOM 738 C MET A 52 7.476 -12.154 -2.804 1.00 0.00 C ATOM 739 O MET A 52 6.890 -11.273 -2.172 1.00 0.00 O ATOM 740 CB MET A 52 6.826 -14.462 -2.099 1.00 0.00 C ATOM 741 CG MET A 52 6.705 -15.096 -3.487 1.00 0.00 C ATOM 742 SD MET A 52 5.246 -16.166 -3.535 1.00 0.00 S ATOM 743 CE MET A 52 4.174 -15.055 -4.481 1.00 0.00 C ATOM 0 H MET A 52 7.584 -12.862 -0.113 1.00 0.00 H new ATOM 0 HA MET A 52 8.810 -13.825 -2.641 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.030 -15.231 -1.354 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.884 -13.990 -1.821 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.625 -14.319 -4.248 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.601 -15.674 -3.714 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.202 -15.526 -4.629 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.045 -14.121 -3.934 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.629 -14.849 -5.450 1.00 0.00 H new ATOM 753 N GLY A 53 7.739 -12.065 -4.110 1.00 0.00 N ATOM 754 CA GLY A 53 7.340 -10.893 -4.887 1.00 0.00 C ATOM 755 C GLY A 53 8.466 -9.863 -4.926 1.00 0.00 C ATOM 756 O GLY A 53 8.213 -8.657 -4.894 1.00 0.00 O ATOM 0 H GLY A 53 8.223 -12.785 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.081 -11.194 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.447 -10.447 -4.449 1.00 0.00 H new ATOM 760 N THR A 54 9.708 -10.350 -4.992 1.00 0.00 N ATOM 761 CA THR A 54 10.872 -9.467 -5.032 1.00 0.00 C ATOM 762 C THR A 54 11.077 -8.917 -6.440 1.00 0.00 C ATOM 763 O THR A 54 11.377 -9.671 -7.369 1.00 0.00 O ATOM 764 CB THR A 54 12.122 -10.233 -4.593 1.00 0.00 C ATOM 765 OG1 THR A 54 12.216 -11.444 -5.330 1.00 0.00 O ATOM 766 CG2 THR A 54 12.035 -10.545 -3.099 1.00 0.00 C ATOM 0 H THR A 54 9.931 -11.345 -5.019 1.00 0.00 H new ATOM 0 HA THR A 54 10.699 -8.634 -4.351 1.00 0.00 H new ATOM 0 HB THR A 54 13.006 -9.624 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.953 -11.282 -6.260 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.926 -11.091 -2.789 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.965 -9.614 -2.536 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.151 -11.153 -2.905 1.00 0.00 H new ATOM 774 N ALA A 55 10.911 -7.602 -6.590 1.00 0.00 N ATOM 775 CA ALA A 55 11.080 -6.959 -7.890 1.00 0.00 C ATOM 776 C ALA A 55 12.558 -6.704 -8.175 1.00 0.00 C ATOM 777 O ALA A 55 13.415 -6.980 -7.332 1.00 0.00 O ATOM 778 CB ALA A 55 10.315 -5.635 -7.921 1.00 0.00 C ATOM 0 H ALA A 55 10.661 -6.967 -5.832 1.00 0.00 H new ATOM 0 HA ALA A 55 10.684 -7.624 -8.658 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.446 -5.162 -8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.255 -5.823 -7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.698 -4.975 -7.142 1.00 0.00 H new ATOM 784 N SER A 56 12.846 -6.174 -9.366 1.00 0.00 N ATOM 785 CA SER A 56 14.224 -5.882 -9.759 1.00 0.00 C ATOM 786 C SER A 56 14.286 -4.581 -10.555 1.00 0.00 C ATOM 787 O SER A 56 13.251 -4.024 -10.929 1.00 0.00 O ATOM 788 CB SER A 56 14.780 -7.028 -10.604 1.00 0.00 C ATOM 789 OG SER A 56 16.200 -7.009 -10.540 1.00 0.00 O ATOM 0 H SER A 56 12.147 -5.940 -10.071 1.00 0.00 H new ATOM 0 HA SER A 56 14.826 -5.773 -8.857 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.400 -7.982 -10.239 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.449 -6.927 -11.638 1.00 0.00 H new ATOM 0 HG SER A 56 16.562 -7.743 -11.079 1.00 0.00 H new ATOM 795 N GLY A 57 15.507 -4.102 -10.809 1.00 0.00 N ATOM 796 CA GLY A 57 15.703 -2.862 -11.563 1.00 0.00 C ATOM 797 C GLY A 57 16.212 -1.749 -10.653 1.00 0.00 C ATOM 798 O GLY A 57 17.053 -0.943 -11.060 1.00 0.00 O ATOM 0 H GLY A 57 16.370 -4.552 -10.505 1.00 0.00 H new ATOM 0 HA2 GLY A 57 16.415 -3.031 -12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.763 -2.559 -12.024 1.00 0.00 H new ATOM 802 N SER A 58 15.697 -1.709 -9.422 1.00 0.00 N ATOM 803 CA SER A 58 16.108 -0.691 -8.457 1.00 0.00 C ATOM 804 C SER A 58 17.504 -0.997 -7.921 1.00 0.00 C ATOM 805 O SER A 58 18.362 -0.114 -7.868 1.00 0.00 O ATOM 806 CB SER A 58 15.113 -0.638 -7.296 1.00 0.00 C ATOM 807 OG SER A 58 13.972 0.115 -7.687 1.00 0.00 O ATOM 0 H SER A 58 14.999 -2.366 -9.073 1.00 0.00 H new ATOM 0 HA SER A 58 16.127 0.275 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.816 -1.647 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.580 -0.184 -6.422 1.00 0.00 H new ATOM 0 HG SER A 58 13.332 0.149 -6.945 1.00 0.00 H new ATOM 813 N ASN A 59 17.720 -2.255 -7.527 1.00 0.00 N ATOM 814 CA ASN A 59 19.013 -2.675 -6.995 1.00 0.00 C ATOM 815 C ASN A 59 20.008 -2.919 -8.129 1.00 0.00 C ATOM 816 O ASN A 59 19.790 -3.788 -8.976 1.00 0.00 O ATOM 817 CB ASN A 59 18.847 -3.957 -6.175 1.00 0.00 C ATOM 818 CG ASN A 59 18.007 -3.677 -4.934 1.00 0.00 C ATOM 819 OD1 ASN A 59 16.788 -3.537 -5.027 1.00 0.00 O ATOM 820 ND2 ASN A 59 18.589 -3.586 -3.769 1.00 0.00 N ATOM 0 H ASN A 59 17.019 -2.994 -7.567 1.00 0.00 H new ATOM 0 HA ASN A 59 19.397 -1.880 -6.356 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.370 -4.727 -6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.825 -4.341 -5.884 1.00 0.00 H new ATOM 0 HD21 ASN A 59 18.033 -3.399 -2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.600 -3.702 -3.693 1.00 0.00 H new ATOM 827 N SER A 60 21.096 -2.144 -8.135 1.00 0.00 N ATOM 828 CA SER A 60 22.122 -2.282 -9.168 1.00 0.00 C ATOM 829 C SER A 60 23.104 -3.404 -8.804 1.00 0.00 C ATOM 830 O SER A 60 23.331 -3.662 -7.620 1.00 0.00 O ATOM 831 CB SER A 60 22.882 -0.964 -9.324 1.00 0.00 C ATOM 832 OG SER A 60 23.399 -0.874 -10.645 1.00 0.00 O ATOM 0 H SER A 60 21.287 -1.421 -7.442 1.00 0.00 H new ATOM 0 HA SER A 60 21.635 -2.534 -10.110 1.00 0.00 H new ATOM 0 HB2 SER A 60 22.219 -0.123 -9.122 1.00 0.00 H new ATOM 0 HB3 SER A 60 23.694 -0.911 -8.599 1.00 0.00 H new ATOM 0 HG SER A 60 23.885 -0.030 -10.749 1.00 0.00 H new ATOM 838 N PRO A 61 23.691 -4.076 -9.786 1.00 0.00 N ATOM 839 CA PRO A 61 24.659 -5.182 -9.529 1.00 0.00 C ATOM 840 C PRO A 61 26.072 -4.662 -9.269 1.00 0.00 C ATOM 841 O PRO A 61 26.414 -3.548 -9.672 1.00 0.00 O ATOM 842 CB PRO A 61 24.603 -6.003 -10.816 1.00 0.00 C ATOM 843 CG PRO A 61 24.266 -5.027 -11.896 1.00 0.00 C ATOM 844 CD PRO A 61 23.506 -3.866 -11.240 1.00 0.00 C ATOM 0 HA PRO A 61 24.406 -5.756 -8.638 1.00 0.00 H new ATOM 0 HB2 PRO A 61 25.557 -6.492 -11.012 1.00 0.00 H new ATOM 0 HB3 PRO A 61 23.851 -6.789 -10.748 1.00 0.00 H new ATOM 0 HG2 PRO A 61 25.171 -4.667 -12.385 1.00 0.00 H new ATOM 0 HG3 PRO A 61 23.656 -5.500 -12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.905 -2.902 -11.556 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.450 -3.879 -11.512 1.00 0.00 H new ATOM 852 N THR A 62 26.885 -5.475 -8.590 1.00 0.00 N ATOM 853 CA THR A 62 28.259 -5.092 -8.276 1.00 0.00 C ATOM 854 C THR A 62 29.162 -6.321 -8.231 1.00 0.00 C ATOM 855 O THR A 62 30.056 -6.405 -9.055 1.00 0.00 O ATOM 856 CB THR A 62 28.307 -4.373 -6.926 1.00 0.00 C ATOM 857 OG1 THR A 62 27.689 -5.184 -5.937 1.00 0.00 O ATOM 858 CG2 THR A 62 27.570 -3.037 -7.030 1.00 0.00 C ATOM 859 OXT THR A 62 28.944 -7.159 -7.372 1.00 0.00 O ATOM 0 H THR A 62 26.615 -6.398 -8.250 1.00 0.00 H new ATOM 0 HA THR A 62 28.615 -4.421 -9.058 1.00 0.00 H new ATOM 0 HB THR A 62 29.345 -4.190 -6.648 1.00 0.00 H new ATOM 0 HG1 THR A 62 27.962 -6.117 -6.062 1.00 0.00 H new ATOM 0 HG21 THR A 62 27.605 -2.526 -6.068 1.00 0.00 H new ATOM 0 HG22 THR A 62 28.047 -2.416 -7.788 1.00 0.00 H new ATOM 0 HG23 THR A 62 26.531 -3.215 -7.309 1.00 0.00 H new TER 867 THR A 62 HETATM 868 ZN ZN A 63 -9.940 7.319 -0.879 1.00 0.00 ZN