USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 37 ASN : amide:sc= 0.996 K(o=0.86,f=-0.044) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.134 X(o=0.86,f=0.99) USER MOD Single : A 1 SER N :NH3+ -103:sc= 0.0401 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00143 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-8.66e-05 X(o=-8.7e-05,f=-8.7e-05) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.843 K(o=0.84,f=-2.3!) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.494 USER MOD Single : A 35 THR OG1 : rot -64:sc= 0.27 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.992 USER MOD Single : A 61 MET CE :methyl 173:sc= 0 (180deg=-0.0975) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= 3.37 (180deg=2.61) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.461 28.420 7.559 1.00 0.00 N ATOM 2 CA SER A 1 -15.190 29.851 7.282 1.00 0.00 C ATOM 3 C SER A 1 -15.676 30.258 5.892 1.00 0.00 C ATOM 4 O SER A 1 -15.769 29.420 4.993 1.00 0.00 O ATOM 5 CB SER A 1 -13.699 30.170 7.433 1.00 0.00 C ATOM 6 OG SER A 1 -13.263 29.783 8.727 1.00 0.00 O ATOM 0 H1 SER A 1 -16.284 28.338 8.189 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.658 27.925 6.666 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.631 27.992 8.017 1.00 0.00 H new ATOM 0 HA SER A 1 -15.747 30.430 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 1 -13.124 29.644 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.527 31.236 7.283 1.00 0.00 H new ATOM 0 HG SER A 1 -12.309 29.985 8.825 1.00 0.00 H new ATOM 14 N MET A 2 -15.981 31.547 5.699 1.00 0.00 N ATOM 15 CA MET A 2 -16.394 32.143 4.415 1.00 0.00 C ATOM 16 C MET A 2 -15.872 33.584 4.256 1.00 0.00 C ATOM 17 O MET A 2 -15.381 34.186 5.217 1.00 0.00 O ATOM 18 CB MET A 2 -17.928 32.049 4.258 1.00 0.00 C ATOM 19 CG MET A 2 -18.755 32.862 5.268 1.00 0.00 C ATOM 20 SD MET A 2 -18.881 34.645 4.937 1.00 0.00 S ATOM 21 CE MET A 2 -19.912 35.143 6.343 1.00 0.00 C ATOM 0 H MET A 2 -15.947 32.230 6.456 1.00 0.00 H new ATOM 0 HA MET A 2 -15.939 31.572 3.606 1.00 0.00 H new ATOM 0 HB2 MET A 2 -18.192 32.377 3.253 1.00 0.00 H new ATOM 0 HB3 MET A 2 -18.219 31.002 4.338 1.00 0.00 H new ATOM 0 HG2 MET A 2 -19.762 32.446 5.302 1.00 0.00 H new ATOM 0 HG3 MET A 2 -18.320 32.726 6.258 1.00 0.00 H new ATOM 0 HE1 MET A 2 -20.092 36.217 6.300 1.00 0.00 H new ATOM 0 HE2 MET A 2 -20.864 34.614 6.302 1.00 0.00 H new ATOM 0 HE3 MET A 2 -19.401 34.898 7.274 1.00 0.00 H new ATOM 31 N ALA A 3 -15.981 34.138 3.044 1.00 0.00 N ATOM 32 CA ALA A 3 -15.654 35.530 2.724 1.00 0.00 C ATOM 33 C ALA A 3 -16.668 36.138 1.734 1.00 0.00 C ATOM 34 O ALA A 3 -17.242 35.431 0.901 1.00 0.00 O ATOM 35 CB ALA A 3 -14.223 35.591 2.172 1.00 0.00 C ATOM 0 H ALA A 3 -16.310 33.613 2.234 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.714 36.129 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.970 36.623 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.528 35.212 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.154 34.980 1.272 1.00 0.00 H new ATOM 41 N ASP A 4 -16.870 37.459 1.802 1.00 0.00 N ATOM 42 CA ASP A 4 -17.784 38.201 0.917 1.00 0.00 C ATOM 43 C ASP A 4 -17.280 38.244 -0.540 1.00 0.00 C ATOM 44 O ASP A 4 -18.030 37.970 -1.480 1.00 0.00 O ATOM 45 CB ASP A 4 -17.974 39.608 1.503 1.00 0.00 C ATOM 46 CG ASP A 4 -18.892 40.488 0.644 1.00 0.00 C ATOM 47 OD1 ASP A 4 -20.118 40.229 0.595 1.00 0.00 O ATOM 48 OD2 ASP A 4 -18.379 41.459 0.039 1.00 0.00 O ATOM 0 H ASP A 4 -16.397 38.054 2.482 1.00 0.00 H new ATOM 0 HA ASP A 4 -18.745 37.688 0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -18.391 39.526 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -17.002 40.091 1.601 1.00 0.00 H new ATOM 53 N ARG A 5 -15.981 38.520 -0.705 1.00 0.00 N ATOM 54 CA ARG A 5 -15.197 38.423 -1.947 1.00 0.00 C ATOM 55 C ARG A 5 -13.890 37.655 -1.723 1.00 0.00 C ATOM 56 O ARG A 5 -13.328 37.688 -0.626 1.00 0.00 O ATOM 57 CB ARG A 5 -14.924 39.836 -2.491 1.00 0.00 C ATOM 58 CG ARG A 5 -16.138 40.407 -3.242 1.00 0.00 C ATOM 59 CD ARG A 5 -16.145 41.936 -3.227 1.00 0.00 C ATOM 60 NE ARG A 5 -16.614 42.448 -1.927 1.00 0.00 N ATOM 61 CZ ARG A 5 -16.408 43.628 -1.381 1.00 0.00 C ATOM 62 NH1 ARG A 5 -15.664 44.549 -1.928 1.00 0.00 N ATOM 63 NH2 ARG A 5 -16.983 43.880 -0.245 1.00 0.00 N ATOM 0 H ARG A 5 -15.409 38.839 0.077 1.00 0.00 H new ATOM 0 HA ARG A 5 -15.773 37.864 -2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.664 40.498 -1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.064 39.807 -3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -16.127 40.053 -4.273 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -17.056 40.034 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.141 42.310 -3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.790 42.308 -4.023 1.00 0.00 H new ATOM 0 HE ARG A 5 -17.175 41.799 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.208 44.371 -2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -15.538 45.447 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -17.572 43.174 0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.845 44.784 0.207 1.00 0.00 H new ATOM 77 N VAL A 6 -13.404 36.971 -2.760 1.00 0.00 N ATOM 78 CA VAL A 6 -12.167 36.168 -2.744 1.00 0.00 C ATOM 79 C VAL A 6 -11.525 36.098 -4.136 1.00 0.00 C ATOM 80 O VAL A 6 -12.220 36.041 -5.151 1.00 0.00 O ATOM 81 CB VAL A 6 -12.441 34.759 -2.161 1.00 0.00 C ATOM 82 CG1 VAL A 6 -13.378 33.900 -3.019 1.00 0.00 C ATOM 83 CG2 VAL A 6 -11.153 33.965 -1.910 1.00 0.00 C ATOM 0 H VAL A 6 -13.871 36.956 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.448 36.663 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.939 34.966 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.520 32.930 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.342 34.400 -3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.940 33.759 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.403 32.986 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.614 33.840 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.525 34.504 -1.201 1.00 0.00 H new ATOM 93 N LEU A 7 -10.189 36.077 -4.183 1.00 0.00 N ATOM 94 CA LEU A 7 -9.391 35.817 -5.388 1.00 0.00 C ATOM 95 C LEU A 7 -8.451 34.628 -5.130 1.00 0.00 C ATOM 96 O LEU A 7 -7.687 34.629 -4.159 1.00 0.00 O ATOM 97 CB LEU A 7 -8.615 37.084 -5.798 1.00 0.00 C ATOM 98 CG LEU A 7 -9.490 38.268 -6.254 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.604 39.488 -6.516 1.00 0.00 C ATOM 100 CD2 LEU A 7 -10.263 37.967 -7.541 1.00 0.00 C ATOM 0 H LEU A 7 -9.614 36.246 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.048 35.558 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.005 37.407 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.930 36.826 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.207 38.455 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.223 40.325 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.077 39.758 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.880 39.251 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.863 38.835 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.560 37.742 -8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.917 37.110 -7.381 1.00 0.00 H new ATOM 112 N ARG A 8 -8.537 33.602 -5.984 1.00 0.00 N ATOM 113 CA ARG A 8 -7.828 32.314 -5.859 1.00 0.00 C ATOM 114 C ARG A 8 -7.598 31.654 -7.226 1.00 0.00 C ATOM 115 O ARG A 8 -8.365 31.879 -8.166 1.00 0.00 O ATOM 116 CB ARG A 8 -8.573 31.389 -4.870 1.00 0.00 C ATOM 117 CG ARG A 8 -10.086 31.230 -5.119 1.00 0.00 C ATOM 118 CD ARG A 8 -10.725 30.369 -4.022 1.00 0.00 C ATOM 119 NE ARG A 8 -12.196 30.402 -4.103 1.00 0.00 N ATOM 120 CZ ARG A 8 -13.059 29.868 -3.262 1.00 0.00 C ATOM 121 NH1 ARG A 8 -12.682 29.144 -2.245 1.00 0.00 N ATOM 122 NH2 ARG A 8 -14.333 30.061 -3.428 1.00 0.00 N ATOM 0 H ARG A 8 -9.125 33.643 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.836 32.504 -5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.111 30.402 -4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.427 31.773 -3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.561 32.211 -5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.254 30.771 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.377 29.340 -4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.405 30.727 -3.043 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.592 30.895 -4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.690 28.975 -2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.379 28.747 -1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.666 30.626 -4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.001 29.648 -2.777 1.00 0.00 H new ATOM 136 N GLY A 9 -6.532 30.858 -7.331 1.00 0.00 N ATOM 137 CA GLY A 9 -5.989 30.358 -8.604 1.00 0.00 C ATOM 138 C GLY A 9 -5.231 31.435 -9.409 1.00 0.00 C ATOM 139 O GLY A 9 -5.211 32.609 -9.032 1.00 0.00 O ATOM 0 H GLY A 9 -6.008 30.534 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.316 29.525 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.806 29.968 -9.211 1.00 0.00 H new ATOM 143 N SER A 10 -4.553 31.102 -10.512 1.00 0.00 N ATOM 144 CA SER A 10 -4.455 29.777 -11.163 1.00 0.00 C ATOM 145 C SER A 10 -3.013 29.438 -11.592 1.00 0.00 C ATOM 146 O SER A 10 -2.792 28.699 -12.554 1.00 0.00 O ATOM 147 CB SER A 10 -5.424 29.693 -12.355 1.00 0.00 C ATOM 148 OG SER A 10 -6.761 29.929 -11.934 1.00 0.00 O ATOM 0 H SER A 10 -4.013 31.803 -11.019 1.00 0.00 H new ATOM 0 HA SER A 10 -4.743 29.029 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.141 30.425 -13.112 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.352 28.710 -12.820 1.00 0.00 H new ATOM 0 HG SER A 10 -7.362 29.873 -12.706 1.00 0.00 H new ATOM 154 N ARG A 11 -2.007 29.980 -10.885 1.00 0.00 N ATOM 155 CA ARG A 11 -0.567 29.828 -11.196 1.00 0.00 C ATOM 156 C ARG A 11 -0.083 28.369 -11.145 1.00 0.00 C ATOM 157 O ARG A 11 0.798 27.987 -11.914 1.00 0.00 O ATOM 158 CB ARG A 11 0.224 30.745 -10.239 1.00 0.00 C ATOM 159 CG ARG A 11 1.748 30.788 -10.473 1.00 0.00 C ATOM 160 CD ARG A 11 2.161 31.501 -11.770 1.00 0.00 C ATOM 161 NE ARG A 11 1.810 32.936 -11.762 1.00 0.00 N ATOM 162 CZ ARG A 11 1.931 33.783 -12.769 1.00 0.00 C ATOM 163 NH1 ARG A 11 2.397 33.419 -13.931 1.00 0.00 N ATOM 164 NH2 ARG A 11 1.583 35.031 -12.627 1.00 0.00 N ATOM 0 H ARG A 11 -2.173 30.553 -10.057 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.393 30.129 -12.229 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.169 31.758 -10.326 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.040 30.419 -9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.221 31.289 -9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.131 29.768 -10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.236 31.394 -11.913 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.677 31.016 -12.618 1.00 0.00 H new ATOM 0 HE ARG A 11 1.436 33.311 -10.890 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.683 32.452 -14.086 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.476 34.101 -14.685 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.215 35.359 -11.734 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.679 35.679 -13.409 1.00 0.00 H new ATOM 178 N LEU A 12 -0.696 27.549 -10.286 1.00 0.00 N ATOM 179 CA LEU A 12 -0.456 26.103 -10.150 1.00 0.00 C ATOM 180 C LEU A 12 -1.455 25.256 -10.982 1.00 0.00 C ATOM 181 O LEU A 12 -1.607 24.054 -10.749 1.00 0.00 O ATOM 182 CB LEU A 12 -0.440 25.716 -8.649 1.00 0.00 C ATOM 183 CG LEU A 12 0.748 26.187 -7.780 1.00 0.00 C ATOM 184 CD1 LEU A 12 2.100 25.741 -8.341 1.00 0.00 C ATOM 185 CD2 LEU A 12 0.800 27.697 -7.539 1.00 0.00 C ATOM 0 H LEU A 12 -1.406 27.887 -9.636 1.00 0.00 H new ATOM 0 HA LEU A 12 0.524 25.873 -10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.354 26.101 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.486 24.629 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 12 0.563 25.702 -6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.899 26.099 -7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.132 24.653 -8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.233 26.154 -9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.665 27.937 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.882 28.215 -8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.110 28.016 -7.030 1.00 0.00 H new ATOM 197 N GLY A 13 -2.153 25.872 -11.944 1.00 0.00 N ATOM 198 CA GLY A 13 -3.256 25.270 -12.701 1.00 0.00 C ATOM 199 C GLY A 13 -4.617 25.388 -11.987 1.00 0.00 C ATOM 200 O GLY A 13 -4.774 26.182 -11.057 1.00 0.00 O ATOM 0 H GLY A 13 -1.959 26.833 -12.225 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.322 25.750 -13.678 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.035 24.217 -12.877 1.00 0.00 H new ATOM 204 N ALA A 14 -5.644 24.634 -12.390 1.00 0.00 N ATOM 205 CA ALA A 14 -5.661 23.634 -13.465 1.00 0.00 C ATOM 206 C ALA A 14 -7.038 23.553 -14.160 1.00 0.00 C ATOM 207 O ALA A 14 -8.050 24.030 -13.631 1.00 0.00 O ATOM 208 CB ALA A 14 -5.273 22.273 -12.863 1.00 0.00 C ATOM 0 H ALA A 14 -6.556 24.712 -11.939 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.945 23.926 -14.233 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.279 21.514 -13.645 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.275 22.338 -12.429 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.989 22.001 -12.088 1.00 0.00 H new ATOM 214 N VAL A 15 -7.086 22.923 -15.339 1.00 0.00 N ATOM 215 CA VAL A 15 -8.329 22.619 -16.078 1.00 0.00 C ATOM 216 C VAL A 15 -9.107 21.450 -15.467 1.00 0.00 C ATOM 217 O VAL A 15 -8.552 20.576 -14.796 1.00 0.00 O ATOM 218 CB VAL A 15 -8.080 22.381 -17.584 1.00 0.00 C ATOM 219 CG1 VAL A 15 -7.609 23.668 -18.268 1.00 0.00 C ATOM 220 CG2 VAL A 15 -7.072 21.261 -17.870 1.00 0.00 C ATOM 0 H VAL A 15 -6.247 22.601 -15.821 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.948 23.511 -15.983 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.040 22.066 -17.992 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.440 23.476 -19.328 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.371 24.439 -18.156 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.680 24.006 -17.808 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.947 21.150 -18.947 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.112 21.511 -17.417 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.439 20.325 -17.449 1.00 0.00 H new ATOM 230 N SER A 16 -10.416 21.459 -15.710 1.00 0.00 N ATOM 231 CA SER A 16 -11.372 20.447 -15.247 1.00 0.00 C ATOM 232 C SER A 16 -11.544 19.295 -16.252 1.00 0.00 C ATOM 233 O SER A 16 -11.117 19.407 -17.405 1.00 0.00 O ATOM 234 CB SER A 16 -12.711 21.137 -14.962 1.00 0.00 C ATOM 235 OG SER A 16 -12.574 22.071 -13.903 1.00 0.00 O ATOM 0 H SER A 16 -10.860 22.198 -16.255 1.00 0.00 H new ATOM 0 HA SER A 16 -10.984 19.992 -14.336 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.063 21.645 -15.860 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.463 20.392 -14.702 1.00 0.00 H new ATOM 0 HG SER A 16 -13.437 22.504 -13.735 1.00 0.00 H new ATOM 241 N TYR A 17 -12.207 18.215 -15.808 1.00 0.00 N ATOM 242 CA TYR A 17 -12.636 17.033 -16.586 1.00 0.00 C ATOM 243 C TYR A 17 -11.533 16.323 -17.412 1.00 0.00 C ATOM 244 O TYR A 17 -10.344 16.639 -17.335 1.00 0.00 O ATOM 245 CB TYR A 17 -13.935 17.355 -17.366 1.00 0.00 C ATOM 246 CG TYR A 17 -13.853 18.484 -18.380 1.00 0.00 C ATOM 247 CD1 TYR A 17 -13.389 18.240 -19.688 1.00 0.00 C ATOM 248 CD2 TYR A 17 -14.213 19.792 -17.996 1.00 0.00 C ATOM 249 CE1 TYR A 17 -13.258 19.309 -20.598 1.00 0.00 C ATOM 250 CE2 TYR A 17 -14.048 20.867 -18.890 1.00 0.00 C ATOM 251 CZ TYR A 17 -13.571 20.626 -20.197 1.00 0.00 C ATOM 252 OH TYR A 17 -13.410 21.655 -21.075 1.00 0.00 O ATOM 0 H TYR A 17 -12.478 18.136 -14.828 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.868 16.253 -15.861 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -14.254 16.452 -17.886 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -14.715 17.600 -16.645 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.134 17.236 -19.993 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.618 19.970 -17.011 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.917 19.120 -21.605 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -14.286 21.873 -18.577 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.670 22.496 -20.645 1.00 0.00 H new ATOM 262 N GLU A 18 -11.915 15.284 -18.161 1.00 0.00 N ATOM 263 CA GLU A 18 -11.010 14.401 -18.920 1.00 0.00 C ATOM 264 C GLU A 18 -10.615 15.000 -20.289 1.00 0.00 C ATOM 265 O GLU A 18 -10.790 14.379 -21.342 1.00 0.00 O ATOM 266 CB GLU A 18 -11.621 12.989 -19.029 1.00 0.00 C ATOM 267 CG GLU A 18 -11.817 12.319 -17.661 1.00 0.00 C ATOM 268 CD GLU A 18 -12.345 10.880 -17.822 1.00 0.00 C ATOM 269 OE1 GLU A 18 -13.585 10.684 -17.879 1.00 0.00 O ATOM 270 OE2 GLU A 18 -11.527 9.929 -17.883 1.00 0.00 O ATOM 0 H GLU A 18 -12.895 15.022 -18.262 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.072 14.313 -18.371 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.582 13.052 -19.539 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.974 12.365 -19.645 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.871 12.305 -17.120 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.517 12.902 -17.063 1.00 0.00 H new ATOM 277 N THR A 19 -10.106 16.236 -20.285 1.00 0.00 N ATOM 278 CA THR A 19 -9.642 16.947 -21.487 1.00 0.00 C ATOM 279 C THR A 19 -8.259 16.456 -21.933 1.00 0.00 C ATOM 280 O THR A 19 -7.397 16.145 -21.105 1.00 0.00 O ATOM 281 CB THR A 19 -9.684 18.471 -21.285 1.00 0.00 C ATOM 282 OG1 THR A 19 -9.426 19.118 -22.512 1.00 0.00 O ATOM 283 CG2 THR A 19 -8.701 19.012 -20.246 1.00 0.00 C ATOM 0 H THR A 19 -10.002 16.784 -19.431 1.00 0.00 H new ATOM 0 HA THR A 19 -10.332 16.715 -22.298 1.00 0.00 H new ATOM 0 HB THR A 19 -10.685 18.681 -20.908 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.455 20.089 -22.382 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.806 20.095 -20.175 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.913 18.563 -19.276 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.682 18.765 -20.545 1.00 0.00 H new ATOM 291 N ASP A 20 -8.043 16.365 -23.246 1.00 0.00 N ATOM 292 CA ASP A 20 -6.788 15.919 -23.861 1.00 0.00 C ATOM 293 C ASP A 20 -6.620 16.510 -25.278 1.00 0.00 C ATOM 294 O ASP A 20 -7.612 16.791 -25.959 1.00 0.00 O ATOM 295 CB ASP A 20 -6.767 14.380 -23.909 1.00 0.00 C ATOM 296 CG ASP A 20 -5.409 13.843 -24.385 1.00 0.00 C ATOM 297 OD1 ASP A 20 -4.489 13.687 -23.547 1.00 0.00 O ATOM 298 OD2 ASP A 20 -5.254 13.618 -25.607 1.00 0.00 O ATOM 0 H ASP A 20 -8.757 16.607 -23.933 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.953 16.275 -23.258 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.988 13.982 -22.919 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.552 14.026 -24.577 1.00 0.00 H new ATOM 303 N ARG A 21 -5.375 16.654 -25.758 1.00 0.00 N ATOM 304 CA ARG A 21 -5.054 17.153 -27.114 1.00 0.00 C ATOM 305 C ARG A 21 -5.685 16.343 -28.260 1.00 0.00 C ATOM 306 O ARG A 21 -5.912 16.897 -29.336 1.00 0.00 O ATOM 307 CB ARG A 21 -3.527 17.284 -27.277 1.00 0.00 C ATOM 308 CG ARG A 21 -2.765 15.945 -27.225 1.00 0.00 C ATOM 309 CD ARG A 21 -1.253 16.126 -27.423 1.00 0.00 C ATOM 310 NE ARG A 21 -0.614 16.790 -26.266 1.00 0.00 N ATOM 311 CZ ARG A 21 -0.128 18.019 -26.201 1.00 0.00 C ATOM 312 NH1 ARG A 21 -0.168 18.845 -27.209 1.00 0.00 N ATOM 313 NH2 ARG A 21 0.414 18.450 -25.098 1.00 0.00 N ATOM 0 H ARG A 21 -4.546 16.425 -25.210 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.514 18.138 -27.197 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.316 17.772 -28.229 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.145 17.937 -26.492 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.948 15.463 -26.265 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.153 15.279 -27.996 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.790 15.152 -27.582 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.074 16.715 -28.322 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.539 16.233 -25.415 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.586 18.552 -28.092 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.219 19.784 -27.115 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.464 17.840 -24.282 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.788 19.398 -25.050 1.00 0.00 H new ATOM 327 N ASN A 22 -6.040 15.075 -28.028 1.00 0.00 N ATOM 328 CA ASN A 22 -6.775 14.221 -28.972 1.00 0.00 C ATOM 329 C ASN A 22 -8.184 14.757 -29.334 1.00 0.00 C ATOM 330 O ASN A 22 -8.758 14.343 -30.343 1.00 0.00 O ATOM 331 CB ASN A 22 -6.832 12.807 -28.364 1.00 0.00 C ATOM 332 CG ASN A 22 -7.466 11.776 -29.285 1.00 0.00 C ATOM 333 OD1 ASN A 22 -8.594 11.341 -29.092 1.00 0.00 O ATOM 334 ND2 ASN A 22 -6.764 11.341 -30.309 1.00 0.00 N ATOM 0 H ASN A 22 -5.818 14.599 -27.154 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.246 14.211 -29.925 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.821 12.486 -28.114 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.394 12.844 -27.431 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.160 10.643 -30.939 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.824 11.701 -30.473 1.00 0.00 H new ATOM 341 N HIS A 23 -8.729 15.707 -28.562 1.00 0.00 N ATOM 342 CA HIS A 23 -9.978 16.422 -28.872 1.00 0.00 C ATOM 343 C HIS A 23 -9.866 17.369 -30.088 1.00 0.00 C ATOM 344 O HIS A 23 -10.889 17.749 -30.661 1.00 0.00 O ATOM 345 CB HIS A 23 -10.411 17.191 -27.613 1.00 0.00 C ATOM 346 CG HIS A 23 -11.793 17.793 -27.696 1.00 0.00 C ATOM 347 ND1 HIS A 23 -12.995 17.095 -27.532 1.00 0.00 N ATOM 348 CD2 HIS A 23 -12.077 19.108 -27.929 1.00 0.00 C ATOM 349 CE1 HIS A 23 -13.973 18.006 -27.678 1.00 0.00 C ATOM 350 NE2 HIS A 23 -13.450 19.222 -27.916 1.00 0.00 N ATOM 0 H HIS A 23 -8.305 16.008 -27.684 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.729 15.685 -29.157 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -10.373 16.516 -26.758 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.692 17.987 -27.423 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.365 19.903 -28.092 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.030 17.792 -27.613 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -13.979 20.082 -28.062 1.00 0.00 H new ATOM 358 N ASP A 24 -8.641 17.724 -30.505 1.00 0.00 N ATOM 359 CA ASP A 24 -8.316 18.755 -31.510 1.00 0.00 C ATOM 360 C ASP A 24 -8.830 20.172 -31.159 1.00 0.00 C ATOM 361 O ASP A 24 -9.424 20.409 -30.102 1.00 0.00 O ATOM 362 CB ASP A 24 -8.734 18.309 -32.929 1.00 0.00 C ATOM 363 CG ASP A 24 -8.081 16.989 -33.373 1.00 0.00 C ATOM 364 OD1 ASP A 24 -6.828 16.914 -33.406 1.00 0.00 O ATOM 365 OD2 ASP A 24 -8.812 16.041 -33.748 1.00 0.00 O ATOM 0 H ASP A 24 -7.804 17.277 -30.132 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.230 18.849 -31.496 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.818 18.198 -32.962 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.472 19.092 -33.640 1.00 0.00 H new ATOM 370 N LEU A 25 -8.559 21.136 -32.048 1.00 0.00 N ATOM 371 CA LEU A 25 -8.992 22.534 -31.961 1.00 0.00 C ATOM 372 C LEU A 25 -9.849 22.926 -33.179 1.00 0.00 C ATOM 373 O LEU A 25 -9.654 22.417 -34.287 1.00 0.00 O ATOM 374 CB LEU A 25 -7.764 23.457 -31.822 1.00 0.00 C ATOM 375 CG LEU A 25 -6.929 23.256 -30.542 1.00 0.00 C ATOM 376 CD1 LEU A 25 -5.701 24.167 -30.585 1.00 0.00 C ATOM 377 CD2 LEU A 25 -7.717 23.593 -29.274 1.00 0.00 C ATOM 0 H LEU A 25 -8.006 20.953 -32.886 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.616 22.651 -31.075 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.117 23.305 -32.686 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.103 24.492 -31.856 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.647 22.204 -30.509 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.111 24.025 -29.680 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.095 23.919 -31.456 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.021 25.207 -30.650 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.085 23.435 -28.400 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.034 24.635 -29.309 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.594 22.949 -29.209 1.00 0.00 H new ATOM 389 N ALA A 26 -10.786 23.850 -32.964 1.00 0.00 N ATOM 390 CA ALA A 26 -11.720 24.379 -33.963 1.00 0.00 C ATOM 391 C ALA A 26 -12.002 25.888 -33.735 1.00 0.00 C ATOM 392 O ALA A 26 -11.728 26.387 -32.637 1.00 0.00 O ATOM 393 CB ALA A 26 -13.005 23.539 -33.889 1.00 0.00 C ATOM 0 H ALA A 26 -10.922 24.271 -32.045 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.287 24.305 -34.960 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.723 23.907 -34.622 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.771 22.496 -34.103 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.434 23.617 -32.890 1.00 0.00 H new ATOM 399 N PRO A 27 -12.557 26.623 -34.725 1.00 0.00 N ATOM 400 CA PRO A 27 -12.901 28.043 -34.606 1.00 0.00 C ATOM 401 C PRO A 27 -13.824 28.335 -33.413 1.00 0.00 C ATOM 402 O PRO A 27 -14.965 27.868 -33.342 1.00 0.00 O ATOM 403 CB PRO A 27 -13.529 28.438 -35.949 1.00 0.00 C ATOM 404 CG PRO A 27 -12.860 27.476 -36.925 1.00 0.00 C ATOM 405 CD PRO A 27 -12.777 26.196 -36.097 1.00 0.00 C ATOM 0 HA PRO A 27 -12.013 28.640 -34.400 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.612 28.319 -35.941 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.325 29.479 -36.201 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.449 27.339 -37.832 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.876 27.827 -37.235 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.695 25.615 -36.183 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.963 25.559 -36.443 1.00 0.00 H new ATOM 413 N ARG A 28 -13.279 29.081 -32.448 1.00 0.00 N ATOM 414 CA ARG A 28 -13.895 29.393 -31.146 1.00 0.00 C ATOM 415 C ARG A 28 -13.651 30.831 -30.655 1.00 0.00 C ATOM 416 O ARG A 28 -12.815 31.557 -31.192 1.00 0.00 O ATOM 417 CB ARG A 28 -13.456 28.318 -30.130 1.00 0.00 C ATOM 418 CG ARG A 28 -11.965 28.378 -29.764 1.00 0.00 C ATOM 419 CD ARG A 28 -11.564 27.166 -28.915 1.00 0.00 C ATOM 420 NE ARG A 28 -10.140 27.231 -28.530 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.535 26.502 -27.609 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.150 25.557 -26.955 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.282 26.711 -27.324 1.00 0.00 N ATOM 0 H ARG A 28 -12.357 29.504 -32.553 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.978 29.360 -31.264 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.048 28.428 -29.221 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.680 27.333 -30.539 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.364 28.406 -30.673 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.757 29.297 -29.216 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.184 27.125 -28.019 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.751 26.249 -29.474 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.563 27.910 -29.027 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.132 25.359 -27.148 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.649 25.015 -26.251 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.763 27.440 -27.813 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.820 26.145 -26.612 1.00 0.00 H new ATOM 437 N GLN A 29 -14.378 31.212 -29.605 1.00 0.00 N ATOM 438 CA GLN A 29 -14.320 32.480 -28.869 1.00 0.00 C ATOM 439 C GLN A 29 -14.186 32.183 -27.371 1.00 0.00 C ATOM 440 O GLN A 29 -15.110 31.677 -26.741 1.00 0.00 O ATOM 441 CB GLN A 29 -15.604 33.307 -29.078 1.00 0.00 C ATOM 442 CG GLN A 29 -16.004 33.594 -30.533 1.00 0.00 C ATOM 443 CD GLN A 29 -17.389 33.034 -30.828 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.329 33.742 -31.166 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.550 31.738 -30.683 1.00 0.00 N ATOM 0 H GLN A 29 -15.084 30.590 -29.212 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.466 33.047 -29.239 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.429 32.785 -28.594 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.484 34.260 -28.563 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.994 34.669 -30.713 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.274 33.151 -31.211 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.762 31.155 -30.401 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.463 31.315 -30.852 1.00 0.00 H new ATOM 454 N ILE A 30 -13.044 32.501 -26.781 1.00 0.00 N ATOM 455 CA ILE A 30 -12.813 32.387 -25.334 1.00 0.00 C ATOM 456 C ILE A 30 -13.239 33.703 -24.666 1.00 0.00 C ATOM 457 O ILE A 30 -12.551 34.719 -24.791 1.00 0.00 O ATOM 458 CB ILE A 30 -11.339 32.044 -25.008 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.725 30.952 -25.911 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.228 31.654 -23.521 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.495 29.633 -25.965 1.00 0.00 C ATOM 0 H ILE A 30 -12.235 32.851 -27.294 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.411 31.564 -24.942 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.754 32.940 -25.214 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.643 31.346 -26.924 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.712 30.747 -25.566 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.192 31.411 -23.285 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.556 32.488 -22.901 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.858 30.786 -23.324 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.979 28.937 -26.626 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.555 29.206 -24.964 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.501 29.814 -26.343 1.00 0.00 H new ATOM 473 N ALA A 31 -14.364 33.691 -23.953 1.00 0.00 N ATOM 474 CA ALA A 31 -14.798 34.794 -23.096 1.00 0.00 C ATOM 475 C ALA A 31 -14.404 34.550 -21.629 1.00 0.00 C ATOM 476 O ALA A 31 -14.090 33.426 -21.229 1.00 0.00 O ATOM 477 CB ALA A 31 -16.307 34.989 -23.273 1.00 0.00 C ATOM 0 H ALA A 31 -15.010 32.902 -23.954 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.292 35.713 -23.391 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.645 35.809 -22.639 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.524 35.223 -24.315 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.828 34.074 -22.991 1.00 0.00 H new ATOM 483 N ARG A 32 -14.453 35.602 -20.809 1.00 0.00 N ATOM 484 CA ARG A 32 -14.343 35.535 -19.343 1.00 0.00 C ATOM 485 C ARG A 32 -15.633 36.009 -18.688 1.00 0.00 C ATOM 486 O ARG A 32 -16.338 36.855 -19.242 1.00 0.00 O ATOM 487 CB ARG A 32 -13.132 36.350 -18.852 1.00 0.00 C ATOM 488 CG ARG A 32 -11.846 35.518 -18.833 1.00 0.00 C ATOM 489 CD ARG A 32 -10.597 36.406 -18.862 1.00 0.00 C ATOM 490 NE ARG A 32 -10.350 37.132 -17.597 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.196 37.639 -17.203 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.090 37.495 -17.879 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.140 38.322 -16.102 1.00 0.00 N ATOM 0 H ARG A 32 -14.574 36.555 -21.153 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.184 34.496 -19.053 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.993 37.217 -19.498 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.333 36.729 -17.850 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.829 34.895 -17.939 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.835 34.846 -19.691 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.729 35.788 -19.091 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.696 37.129 -19.672 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.146 37.252 -16.970 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.092 36.971 -18.754 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.223 37.906 -17.532 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.984 38.464 -15.547 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.252 38.717 -15.791 1.00 0.00 H new ATOM 507 N TYR A 33 -15.898 35.507 -17.484 1.00 0.00 N ATOM 508 CA TYR A 33 -17.010 35.941 -16.640 1.00 0.00 C ATOM 509 C TYR A 33 -16.610 35.993 -15.159 1.00 0.00 C ATOM 510 O TYR A 33 -15.881 35.127 -14.671 1.00 0.00 O ATOM 511 CB TYR A 33 -18.223 35.023 -16.822 1.00 0.00 C ATOM 512 CG TYR A 33 -18.816 34.964 -18.211 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.238 34.156 -19.208 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.981 35.696 -18.490 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.846 34.062 -20.472 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.583 35.615 -19.753 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.042 34.764 -20.733 1.00 0.00 C ATOM 518 OH TYR A 33 -20.716 34.581 -21.893 1.00 0.00 O ATOM 0 H TYR A 33 -15.334 34.771 -17.058 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.278 36.950 -16.954 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.935 34.013 -16.530 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.002 35.344 -16.131 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.329 33.609 -19.002 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.416 36.325 -17.727 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.398 33.453 -21.243 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.460 36.205 -19.973 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.358 35.311 -22.017 1.00 0.00 H new ATOM 528 N ARG A 34 -17.105 37.008 -14.443 1.00 0.00 N ATOM 529 CA ARG A 34 -16.821 37.290 -13.028 1.00 0.00 C ATOM 530 C ARG A 34 -18.031 36.978 -12.154 1.00 0.00 C ATOM 531 O ARG A 34 -19.109 37.526 -12.379 1.00 0.00 O ATOM 532 CB ARG A 34 -16.376 38.756 -12.888 1.00 0.00 C ATOM 533 CG ARG A 34 -15.812 39.023 -11.485 1.00 0.00 C ATOM 534 CD ARG A 34 -15.336 40.466 -11.299 1.00 0.00 C ATOM 535 NE ARG A 34 -14.246 40.853 -12.217 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.027 42.038 -12.755 1.00 0.00 C ATOM 537 NH1 ARG A 34 -14.808 43.065 -12.566 1.00 0.00 N ATOM 538 NH2 ARG A 34 -12.984 42.194 -13.510 1.00 0.00 N ATOM 0 H ARG A 34 -17.745 37.689 -14.852 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.013 36.645 -12.683 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.619 38.984 -13.639 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.222 39.417 -13.077 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.578 38.800 -10.742 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.980 38.344 -11.298 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.180 41.140 -11.446 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.998 40.598 -10.271 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.584 40.117 -12.465 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -15.636 42.975 -11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.591 43.959 -13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.353 41.410 -13.677 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.794 43.101 -13.937 1.00 0.00 H new ATOM 552 N THR A 35 -17.846 36.107 -11.168 1.00 0.00 N ATOM 553 CA THR A 35 -18.886 35.670 -10.218 1.00 0.00 C ATOM 554 C THR A 35 -19.159 36.731 -9.153 1.00 0.00 C ATOM 555 O THR A 35 -18.482 37.761 -9.077 1.00 0.00 O ATOM 556 CB THR A 35 -18.527 34.363 -9.503 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.392 34.556 -8.713 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.280 33.205 -10.453 1.00 0.00 C ATOM 0 H THR A 35 -16.943 35.666 -10.995 1.00 0.00 H new ATOM 0 HA THR A 35 -19.776 35.509 -10.826 1.00 0.00 H new ATOM 0 HB THR A 35 -19.389 34.098 -8.891 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.628 34.774 -9.286 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.031 32.312 -9.881 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.178 33.020 -11.042 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.453 33.451 -11.119 1.00 0.00 H new ATOM 566 N ASP A 36 -20.116 36.460 -8.267 1.00 0.00 N ATOM 567 CA ASP A 36 -20.501 37.408 -7.223 1.00 0.00 C ATOM 568 C ASP A 36 -19.469 37.530 -6.087 1.00 0.00 C ATOM 569 O ASP A 36 -19.468 38.541 -5.381 1.00 0.00 O ATOM 570 CB ASP A 36 -21.898 37.042 -6.708 1.00 0.00 C ATOM 571 CG ASP A 36 -22.500 38.129 -5.799 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.749 39.258 -6.289 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.773 37.844 -4.608 1.00 0.00 O ATOM 0 H ASP A 36 -20.642 35.586 -8.252 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.529 38.404 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.561 36.876 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.843 36.103 -6.157 1.00 0.00 H new ATOM 578 N ASN A 37 -18.535 36.573 -5.947 1.00 0.00 N ATOM 579 CA ASN A 37 -17.412 36.720 -5.009 1.00 0.00 C ATOM 580 C ASN A 37 -16.189 37.418 -5.653 1.00 0.00 C ATOM 581 O ASN A 37 -15.129 37.490 -5.034 1.00 0.00 O ATOM 582 CB ASN A 37 -17.028 35.391 -4.340 1.00 0.00 C ATOM 583 CG ASN A 37 -18.153 34.411 -4.060 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.253 34.745 -3.642 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.880 33.146 -4.268 1.00 0.00 N ATOM 0 H ASN A 37 -18.536 35.696 -6.468 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.766 37.379 -4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.294 34.892 -4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.533 35.618 -3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.586 32.434 -4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.961 32.873 -4.617 1.00 0.00 H new ATOM 592 N GLY A 38 -16.300 37.886 -6.904 1.00 0.00 N ATOM 593 CA GLY A 38 -15.181 38.390 -7.713 1.00 0.00 C ATOM 594 C GLY A 38 -14.365 37.306 -8.415 1.00 0.00 C ATOM 595 O GLY A 38 -13.379 37.622 -9.080 1.00 0.00 O ATOM 0 H GLY A 38 -17.194 37.926 -7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.573 39.075 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.517 38.968 -7.070 1.00 0.00 H new ATOM 599 N GLU A 39 -14.751 36.038 -8.276 1.00 0.00 N ATOM 600 CA GLU A 39 -14.020 34.908 -8.856 1.00 0.00 C ATOM 601 C GLU A 39 -14.218 34.917 -10.374 1.00 0.00 C ATOM 602 O GLU A 39 -15.351 34.825 -10.846 1.00 0.00 O ATOM 603 CB GLU A 39 -14.466 33.556 -8.265 1.00 0.00 C ATOM 604 CG GLU A 39 -14.820 33.613 -6.775 1.00 0.00 C ATOM 605 CD GLU A 39 -14.576 32.319 -5.993 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.546 31.635 -6.192 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.409 32.006 -5.109 1.00 0.00 O ATOM 0 H GLU A 39 -15.584 35.763 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.964 35.023 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.332 33.197 -8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.669 32.827 -8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.242 34.412 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.872 33.883 -6.679 1.00 0.00 H new ATOM 614 N GLU A 40 -13.143 35.025 -11.146 1.00 0.00 N ATOM 615 CA GLU A 40 -13.219 35.067 -12.611 1.00 0.00 C ATOM 616 C GLU A 40 -12.836 33.718 -13.229 1.00 0.00 C ATOM 617 O GLU A 40 -11.816 33.116 -12.878 1.00 0.00 O ATOM 618 CB GLU A 40 -12.283 36.130 -13.197 1.00 0.00 C ATOM 619 CG GLU A 40 -12.905 37.520 -13.118 1.00 0.00 C ATOM 620 CD GLU A 40 -12.083 38.557 -13.896 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.649 38.278 -15.038 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.895 39.679 -13.372 1.00 0.00 O ATOM 0 H GLU A 40 -12.193 35.086 -10.780 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.254 35.311 -12.852 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.336 36.122 -12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.059 35.888 -14.236 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.919 37.488 -13.516 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.981 37.825 -12.074 1.00 0.00 H new ATOM 629 N PHE A 41 -13.649 33.280 -14.191 1.00 0.00 N ATOM 630 CA PHE A 41 -13.459 32.053 -14.967 1.00 0.00 C ATOM 631 C PHE A 41 -13.555 32.318 -16.473 1.00 0.00 C ATOM 632 O PHE A 41 -14.081 33.342 -16.911 1.00 0.00 O ATOM 633 CB PHE A 41 -14.489 31.008 -14.522 1.00 0.00 C ATOM 634 CG PHE A 41 -14.326 30.573 -13.076 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.931 31.298 -12.029 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.515 29.463 -12.770 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.716 30.911 -10.700 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.257 29.116 -11.433 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.859 29.840 -10.394 1.00 0.00 C ATOM 0 H PHE A 41 -14.490 33.789 -14.462 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.456 31.671 -14.778 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.491 31.415 -14.660 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.409 30.133 -15.167 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.558 32.149 -12.251 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.088 28.874 -13.569 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.214 31.441 -9.902 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.596 28.293 -11.206 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.665 29.576 -9.365 1.00 0.00 H new ATOM 649 N GLU A 42 -13.075 31.367 -17.272 1.00 0.00 N ATOM 650 CA GLU A 42 -13.065 31.425 -18.735 1.00 0.00 C ATOM 651 C GLU A 42 -14.062 30.420 -19.329 1.00 0.00 C ATOM 652 O GLU A 42 -14.118 29.261 -18.907 1.00 0.00 O ATOM 653 CB GLU A 42 -11.661 31.168 -19.317 1.00 0.00 C ATOM 654 CG GLU A 42 -10.511 31.944 -18.653 1.00 0.00 C ATOM 655 CD GLU A 42 -9.759 31.083 -17.616 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.140 31.081 -16.421 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.772 30.405 -17.994 1.00 0.00 O ATOM 0 H GLU A 42 -12.668 30.505 -16.908 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.364 32.436 -19.011 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.446 30.102 -19.242 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.677 31.416 -20.378 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.813 32.283 -19.418 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.908 32.835 -18.166 1.00 0.00 H new ATOM 664 N VAL A 43 -14.828 30.857 -20.331 1.00 0.00 N ATOM 665 CA VAL A 43 -15.809 30.037 -21.062 1.00 0.00 C ATOM 666 C VAL A 43 -15.515 30.068 -22.573 1.00 0.00 C ATOM 667 O VAL A 43 -15.718 31.103 -23.215 1.00 0.00 O ATOM 668 CB VAL A 43 -17.258 30.477 -20.771 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.256 29.507 -21.415 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.566 30.547 -19.269 1.00 0.00 C ATOM 0 H VAL A 43 -14.785 31.818 -20.669 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.711 29.010 -20.709 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.359 31.476 -21.195 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.273 29.834 -21.198 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.102 29.490 -22.494 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.103 28.506 -21.011 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.599 30.862 -19.124 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.420 29.564 -18.821 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.898 31.265 -18.794 1.00 0.00 H new ATOM 680 N PRO A 44 -15.049 28.953 -23.167 1.00 0.00 N ATOM 681 CA PRO A 44 -14.962 28.768 -24.610 1.00 0.00 C ATOM 682 C PRO A 44 -16.352 28.607 -25.244 1.00 0.00 C ATOM 683 O PRO A 44 -17.159 27.773 -24.825 1.00 0.00 O ATOM 684 CB PRO A 44 -14.106 27.515 -24.837 1.00 0.00 C ATOM 685 CG PRO A 44 -13.420 27.260 -23.497 1.00 0.00 C ATOM 686 CD PRO A 44 -14.410 27.839 -22.494 1.00 0.00 C ATOM 0 HA PRO A 44 -14.515 29.642 -25.083 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.721 26.665 -25.134 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.376 27.674 -25.631 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.247 26.197 -23.327 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.450 27.754 -23.439 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.144 27.091 -22.193 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.901 28.169 -21.588 1.00 0.00 H new ATOM 694 N PHE A 45 -16.596 29.381 -26.294 1.00 0.00 N ATOM 695 CA PHE A 45 -17.770 29.304 -27.177 1.00 0.00 C ATOM 696 C PHE A 45 -17.361 28.921 -28.601 1.00 0.00 C ATOM 697 O PHE A 45 -16.358 29.409 -29.111 1.00 0.00 O ATOM 698 CB PHE A 45 -18.501 30.648 -27.195 1.00 0.00 C ATOM 699 CG PHE A 45 -19.334 30.914 -25.960 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.728 31.418 -24.796 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.724 30.700 -25.986 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.508 31.715 -23.670 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.505 31.003 -24.855 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.893 31.496 -23.688 1.00 0.00 C ATOM 0 H PHE A 45 -15.951 30.120 -26.574 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.436 28.533 -26.789 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.768 31.447 -27.305 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.148 30.686 -28.072 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.660 31.577 -24.769 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.192 30.303 -26.874 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.039 32.115 -22.783 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.575 30.857 -24.883 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.487 31.705 -22.810 1.00 0.00 H new ATOM 714 N ALA A 46 -18.153 28.104 -29.284 1.00 0.00 N ATOM 715 CA ALA A 46 -17.875 27.670 -30.656 1.00 0.00 C ATOM 716 C ALA A 46 -18.361 28.701 -31.690 1.00 0.00 C ATOM 717 O ALA A 46 -19.213 29.537 -31.389 1.00 0.00 O ATOM 718 CB ALA A 46 -18.515 26.292 -30.871 1.00 0.00 C ATOM 0 H ALA A 46 -19.016 27.718 -28.901 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.798 27.591 -30.801 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.317 25.954 -31.888 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.091 25.580 -30.163 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.591 26.362 -30.715 1.00 0.00 H new ATOM 724 N ASP A 47 -17.873 28.622 -32.929 1.00 0.00 N ATOM 725 CA ASP A 47 -18.305 29.481 -34.048 1.00 0.00 C ATOM 726 C ASP A 47 -19.814 29.366 -34.370 1.00 0.00 C ATOM 727 O ASP A 47 -20.408 30.291 -34.926 1.00 0.00 O ATOM 728 CB ASP A 47 -17.453 29.147 -35.281 1.00 0.00 C ATOM 729 CG ASP A 47 -17.877 29.927 -36.538 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.890 31.180 -36.495 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.184 29.288 -37.574 1.00 0.00 O ATOM 0 H ASP A 47 -17.153 27.949 -33.194 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.154 30.518 -33.748 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.407 29.364 -35.062 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.522 28.078 -35.484 1.00 0.00 H new ATOM 736 N ASP A 48 -20.461 28.274 -33.954 1.00 0.00 N ATOM 737 CA ASP A 48 -21.918 28.079 -34.030 1.00 0.00 C ATOM 738 C ASP A 48 -22.710 28.943 -33.017 1.00 0.00 C ATOM 739 O ASP A 48 -23.936 29.047 -33.104 1.00 0.00 O ATOM 740 CB ASP A 48 -22.197 26.584 -33.820 1.00 0.00 C ATOM 741 CG ASP A 48 -23.654 26.191 -34.126 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.092 26.344 -35.293 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.352 25.680 -33.217 1.00 0.00 O ATOM 0 H ASP A 48 -19.975 27.477 -33.543 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.263 28.409 -35.010 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.529 26.003 -34.457 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.965 26.319 -32.789 1.00 0.00 H new ATOM 748 N ALA A 49 -22.012 29.567 -32.062 1.00 0.00 N ATOM 749 CA ALA A 49 -22.557 30.339 -30.944 1.00 0.00 C ATOM 750 C ALA A 49 -21.930 31.745 -30.813 1.00 0.00 C ATOM 751 O ALA A 49 -20.942 32.089 -31.467 1.00 0.00 O ATOM 752 CB ALA A 49 -22.347 29.513 -29.665 1.00 0.00 C ATOM 0 H ALA A 49 -20.992 29.544 -32.050 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.617 30.518 -31.122 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.743 30.060 -28.809 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.867 28.560 -29.758 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.282 29.333 -29.519 1.00 0.00 H new ATOM 758 N GLU A 50 -22.506 32.557 -29.927 1.00 0.00 N ATOM 759 CA GLU A 50 -22.009 33.864 -29.483 1.00 0.00 C ATOM 760 C GLU A 50 -22.015 33.975 -27.943 1.00 0.00 C ATOM 761 O GLU A 50 -22.554 33.107 -27.257 1.00 0.00 O ATOM 762 CB GLU A 50 -22.823 34.986 -30.157 1.00 0.00 C ATOM 763 CG GLU A 50 -24.297 35.095 -29.725 1.00 0.00 C ATOM 764 CD GLU A 50 -25.203 34.063 -30.428 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.626 34.310 -31.585 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.517 33.009 -29.823 1.00 0.00 O ATOM 0 H GLU A 50 -23.384 32.308 -29.472 1.00 0.00 H new ATOM 0 HA GLU A 50 -20.969 33.973 -29.791 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.333 35.938 -29.953 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.790 34.835 -31.236 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.366 34.957 -28.646 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.661 36.099 -29.942 1.00 0.00 H new ATOM 773 N ILE A 51 -21.417 35.044 -27.404 1.00 0.00 N ATOM 774 CA ILE A 51 -21.244 35.345 -25.977 1.00 0.00 C ATOM 775 C ILE A 51 -22.461 36.129 -25.455 1.00 0.00 C ATOM 776 O ILE A 51 -22.643 37.300 -25.811 1.00 0.00 O ATOM 777 CB ILE A 51 -19.950 36.157 -25.723 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.751 35.684 -26.575 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.584 36.165 -24.226 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.322 34.231 -26.376 1.00 0.00 C ATOM 0 H ILE A 51 -21.013 35.772 -27.994 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.161 34.399 -25.442 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.170 37.177 -26.039 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.998 35.829 -27.627 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.899 36.327 -26.356 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.671 36.742 -24.078 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.396 36.616 -23.655 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.426 35.142 -23.885 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.474 34.010 -27.024 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.035 34.076 -25.336 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.151 33.569 -26.626 1.00 0.00 H new ATOM 792 N PRO A 52 -23.302 35.519 -24.610 1.00 0.00 N ATOM 793 CA PRO A 52 -24.333 36.216 -23.859 1.00 0.00 C ATOM 794 C PRO A 52 -23.708 37.077 -22.750 1.00 0.00 C ATOM 795 O PRO A 52 -22.649 36.749 -22.210 1.00 0.00 O ATOM 796 CB PRO A 52 -25.235 35.110 -23.306 1.00 0.00 C ATOM 797 CG PRO A 52 -24.304 33.908 -23.176 1.00 0.00 C ATOM 798 CD PRO A 52 -23.279 34.111 -24.283 1.00 0.00 C ATOM 0 HA PRO A 52 -24.904 36.912 -24.473 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.665 35.389 -22.344 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.067 34.900 -23.978 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.830 33.875 -22.195 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.845 32.970 -23.300 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.286 33.805 -23.953 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.525 33.506 -25.156 1.00 0.00 H new ATOM 806 N GLY A 53 -24.391 38.167 -22.388 1.00 0.00 N ATOM 807 CA GLY A 53 -23.985 39.126 -21.347 1.00 0.00 C ATOM 808 C GLY A 53 -23.592 38.500 -20.000 1.00 0.00 C ATOM 809 O GLY A 53 -22.736 39.043 -19.295 1.00 0.00 O ATOM 0 H GLY A 53 -25.277 38.419 -22.827 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.141 39.707 -21.720 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.804 39.825 -21.180 1.00 0.00 H new ATOM 813 N THR A 54 -24.175 37.352 -19.640 1.00 0.00 N ATOM 814 CA THR A 54 -23.760 36.554 -18.478 1.00 0.00 C ATOM 815 C THR A 54 -23.785 35.040 -18.764 1.00 0.00 C ATOM 816 O THR A 54 -24.456 34.583 -19.694 1.00 0.00 O ATOM 817 CB THR A 54 -24.683 36.815 -17.267 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.020 36.471 -17.576 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.758 38.279 -16.840 1.00 0.00 C ATOM 0 H THR A 54 -24.957 36.945 -20.152 1.00 0.00 H new ATOM 0 HA THR A 54 -22.738 36.863 -18.258 1.00 0.00 H new ATOM 0 HB THR A 54 -24.246 36.213 -16.471 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.590 36.641 -16.797 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.426 38.375 -15.984 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.763 38.629 -16.564 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.138 38.880 -17.666 1.00 0.00 H new ATOM 827 N TRP A 55 -23.050 34.252 -17.969 1.00 0.00 N ATOM 828 CA TRP A 55 -22.921 32.790 -18.092 1.00 0.00 C ATOM 829 C TRP A 55 -22.487 32.139 -16.764 1.00 0.00 C ATOM 830 O TRP A 55 -21.763 32.746 -15.975 1.00 0.00 O ATOM 831 CB TRP A 55 -21.911 32.450 -19.194 1.00 0.00 C ATOM 832 CG TRP A 55 -21.897 31.020 -19.631 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.087 30.063 -19.137 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.701 30.360 -20.656 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.291 28.877 -19.807 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.285 28.998 -20.754 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.731 30.782 -21.523 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.854 28.103 -21.674 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.314 29.892 -22.447 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.877 28.557 -22.525 1.00 0.00 C ATOM 0 H TRP A 55 -22.507 34.628 -17.192 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.901 32.390 -18.352 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.121 33.076 -20.062 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.913 32.715 -18.844 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.381 30.205 -18.333 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.772 28.018 -19.625 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.078 31.804 -21.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.511 27.080 -21.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.102 30.237 -23.100 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.327 27.882 -23.238 1.00 0.00 H new ATOM 851 N LEU A 56 -22.923 30.907 -16.487 1.00 0.00 N ATOM 852 CA LEU A 56 -22.586 30.180 -15.257 1.00 0.00 C ATOM 853 C LEU A 56 -21.100 29.766 -15.224 1.00 0.00 C ATOM 854 O LEU A 56 -20.606 29.094 -16.133 1.00 0.00 O ATOM 855 CB LEU A 56 -23.527 28.968 -15.112 1.00 0.00 C ATOM 856 CG LEU A 56 -24.155 28.824 -13.717 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.250 27.758 -13.743 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.129 28.405 -12.668 1.00 0.00 C ATOM 0 H LEU A 56 -23.527 30.379 -17.117 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.731 30.841 -14.403 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.324 29.050 -15.851 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.970 28.060 -15.344 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.560 29.801 -13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.689 27.663 -12.750 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.023 28.047 -14.455 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.820 26.802 -14.042 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.617 28.315 -11.697 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.696 27.444 -12.946 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.341 29.156 -12.610 1.00 0.00 H new ATOM 870 N CYS A 57 -20.395 30.142 -14.159 1.00 0.00 N ATOM 871 CA CYS A 57 -18.979 29.825 -13.948 1.00 0.00 C ATOM 872 C CYS A 57 -18.786 28.494 -13.202 1.00 0.00 C ATOM 873 O CYS A 57 -19.679 28.035 -12.484 1.00 0.00 O ATOM 874 CB CYS A 57 -18.309 30.976 -13.188 1.00 0.00 C ATOM 875 SG CYS A 57 -18.180 32.434 -14.253 1.00 0.00 S ATOM 0 H CYS A 57 -20.800 30.689 -13.399 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.509 29.707 -14.924 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.887 31.218 -12.296 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.317 30.672 -12.853 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.613 33.402 -13.597 1.00 0.00 H new ATOM 881 N ARG A 58 -17.584 27.901 -13.291 1.00 0.00 N ATOM 882 CA ARG A 58 -17.275 26.586 -12.684 1.00 0.00 C ATOM 883 C ARG A 58 -17.301 26.590 -11.142 1.00 0.00 C ATOM 884 O ARG A 58 -17.417 25.530 -10.529 1.00 0.00 O ATOM 885 CB ARG A 58 -15.980 26.002 -13.302 1.00 0.00 C ATOM 886 CG ARG A 58 -14.752 25.953 -12.379 1.00 0.00 C ATOM 887 CD ARG A 58 -13.494 25.572 -13.168 1.00 0.00 C ATOM 888 NE ARG A 58 -12.348 25.315 -12.274 1.00 0.00 N ATOM 889 CZ ARG A 58 -11.121 25.001 -12.649 1.00 0.00 C ATOM 890 NH1 ARG A 58 -10.745 24.989 -13.896 1.00 0.00 N ATOM 891 NH2 ARG A 58 -10.211 24.676 -11.780 1.00 0.00 N ATOM 0 H ARG A 58 -16.795 28.317 -13.786 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.086 25.904 -12.938 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.191 24.990 -13.646 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.724 26.591 -14.182 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.609 26.924 -11.904 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.920 25.230 -11.581 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.695 24.684 -13.767 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.242 26.374 -13.862 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.520 25.387 -11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.410 25.229 -14.631 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.786 24.740 -14.137 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.438 24.660 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.270 24.437 -12.092 1.00 0.00 H new ATOM 905 N ASN A 59 -17.269 27.776 -10.522 1.00 0.00 N ATOM 906 CA ASN A 59 -17.494 27.979 -9.081 1.00 0.00 C ATOM 907 C ASN A 59 -18.937 27.616 -8.640 1.00 0.00 C ATOM 908 O ASN A 59 -19.209 27.414 -7.456 1.00 0.00 O ATOM 909 CB ASN A 59 -17.173 29.454 -8.780 1.00 0.00 C ATOM 910 CG ASN A 59 -17.334 29.906 -7.334 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.099 29.171 -6.385 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.668 31.161 -7.119 1.00 0.00 N ATOM 0 H ASN A 59 -17.081 28.646 -11.020 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.847 27.311 -8.513 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.145 29.648 -9.085 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.814 30.076 -9.405 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.730 31.516 -6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.865 31.778 -7.907 1.00 0.00 H new ATOM 919 N GLY A 60 -19.867 27.519 -9.595 1.00 0.00 N ATOM 920 CA GLY A 60 -21.294 27.271 -9.371 1.00 0.00 C ATOM 921 C GLY A 60 -22.126 28.551 -9.231 1.00 0.00 C ATOM 922 O GLY A 60 -23.289 28.471 -8.830 1.00 0.00 O ATOM 0 H GLY A 60 -19.637 27.615 -10.584 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.686 26.682 -10.200 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.412 26.670 -8.469 1.00 0.00 H new ATOM 926 N MET A 61 -21.554 29.721 -9.555 1.00 0.00 N ATOM 927 CA MET A 61 -22.236 31.018 -9.518 1.00 0.00 C ATOM 928 C MET A 61 -22.378 31.628 -10.918 1.00 0.00 C ATOM 929 O MET A 61 -21.510 31.462 -11.775 1.00 0.00 O ATOM 930 CB MET A 61 -21.487 31.950 -8.549 1.00 0.00 C ATOM 931 CG MET A 61 -22.287 33.205 -8.170 1.00 0.00 C ATOM 932 SD MET A 61 -23.946 32.889 -7.498 1.00 0.00 S ATOM 933 CE MET A 61 -24.561 34.585 -7.326 1.00 0.00 C ATOM 0 H MET A 61 -20.582 29.790 -9.857 1.00 0.00 H new ATOM 0 HA MET A 61 -23.253 30.878 -9.153 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.241 31.397 -7.642 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.544 32.253 -9.004 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.716 33.772 -7.435 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.384 33.836 -9.054 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.613 34.563 -7.042 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.988 35.103 -6.557 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.452 35.110 -8.275 1.00 0.00 H new ATOM 943 N GLU A 62 -23.463 32.366 -11.146 1.00 0.00 N ATOM 944 CA GLU A 62 -23.683 33.147 -12.367 1.00 0.00 C ATOM 945 C GLU A 62 -22.641 34.273 -12.502 1.00 0.00 C ATOM 946 O GLU A 62 -22.610 35.225 -11.718 1.00 0.00 O ATOM 947 CB GLU A 62 -25.143 33.632 -12.464 1.00 0.00 C ATOM 948 CG GLU A 62 -25.681 34.418 -11.257 1.00 0.00 C ATOM 949 CD GLU A 62 -27.171 34.763 -11.453 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.483 35.841 -12.016 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.045 33.961 -11.041 1.00 0.00 O ATOM 0 H GLU A 62 -24.229 32.441 -10.477 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.531 32.498 -13.230 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.237 34.259 -13.350 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.783 32.763 -12.619 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.555 33.830 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.104 35.334 -11.126 1.00 0.00 H new ATOM 958 N GLY A 63 -21.738 34.126 -13.473 1.00 0.00 N ATOM 959 CA GLY A 63 -20.718 35.112 -13.813 1.00 0.00 C ATOM 960 C GLY A 63 -21.208 36.135 -14.842 1.00 0.00 C ATOM 961 O GLY A 63 -21.997 35.807 -15.729 1.00 0.00 O ATOM 0 H GLY A 63 -21.697 33.293 -14.060 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.406 35.633 -12.908 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.839 34.600 -14.205 1.00 0.00 H new ATOM 965 N THR A 64 -20.699 37.368 -14.776 1.00 0.00 N ATOM 966 CA THR A 64 -20.979 38.428 -15.765 1.00 0.00 C ATOM 967 C THR A 64 -19.772 38.700 -16.655 1.00 0.00 C ATOM 968 O THR A 64 -18.642 38.711 -16.172 1.00 0.00 O ATOM 969 CB THR A 64 -21.426 39.729 -15.081 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.562 39.493 -14.276 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.803 40.835 -16.073 1.00 0.00 C ATOM 0 H THR A 64 -20.073 37.668 -14.028 1.00 0.00 H new ATOM 0 HA THR A 64 -21.794 38.065 -16.392 1.00 0.00 H new ATOM 0 HB THR A 64 -20.570 40.059 -14.492 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.836 40.329 -13.844 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.109 41.726 -15.525 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.942 41.072 -16.699 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.626 40.495 -16.702 1.00 0.00 H new ATOM 979 N LEU A 65 -20.009 38.896 -17.955 1.00 0.00 N ATOM 980 CA LEU A 65 -18.988 39.032 -18.997 1.00 0.00 C ATOM 981 C LEU A 65 -18.060 40.236 -18.723 1.00 0.00 C ATOM 982 O LEU A 65 -18.524 41.377 -18.645 1.00 0.00 O ATOM 983 CB LEU A 65 -19.743 39.119 -20.341 1.00 0.00 C ATOM 984 CG LEU A 65 -18.962 38.963 -21.661 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.901 39.341 -22.812 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.701 39.815 -21.810 1.00 0.00 C ATOM 0 H LEU A 65 -20.957 38.967 -18.325 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.314 38.176 -19.018 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.520 38.355 -20.329 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.246 40.085 -20.371 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.625 37.927 -21.670 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.373 39.240 -23.760 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.768 38.680 -22.806 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.231 40.373 -22.689 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.241 39.617 -22.778 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.965 40.870 -21.742 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.997 39.565 -21.016 1.00 0.00 H new ATOM 998 N ILE A 66 -16.752 39.981 -18.607 1.00 0.00 N ATOM 999 CA ILE A 66 -15.679 40.988 -18.498 1.00 0.00 C ATOM 1000 C ILE A 66 -14.560 40.723 -19.517 1.00 0.00 C ATOM 1001 O ILE A 66 -14.340 39.586 -19.938 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.108 41.106 -17.059 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.256 39.909 -16.574 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.210 41.448 -16.042 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.921 38.549 -16.608 1.00 0.00 C ATOM 0 H ILE A 66 -16.392 39.027 -18.585 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.135 41.950 -18.732 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.403 41.935 -17.122 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.354 39.863 -17.184 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.939 40.108 -15.550 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.775 41.523 -15.045 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.670 42.399 -16.310 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.968 40.664 -16.049 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.224 37.794 -16.245 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.806 38.561 -15.972 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.212 38.312 -17.631 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.830 41.768 -19.909 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.678 41.652 -20.815 1.00 0.00 C ATOM 1019 C GLU A 67 -11.386 41.300 -20.054 1.00 0.00 C ATOM 1020 O GLU A 67 -11.086 41.879 -19.007 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.493 42.940 -21.634 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.659 43.194 -22.598 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.393 44.437 -23.465 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -12.694 44.315 -24.500 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -13.883 45.542 -23.124 1.00 0.00 O ATOM 0 H GLU A 67 -14.019 42.724 -19.608 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.887 40.833 -21.503 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.395 43.788 -20.956 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.564 42.876 -22.201 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.804 42.323 -23.238 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.581 43.330 -22.032 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.597 40.371 -20.605 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.281 39.972 -20.081 1.00 0.00 C ATOM 1034 C GLY A 68 -8.106 40.849 -20.545 1.00 0.00 C ATOM 1035 O GLY A 68 -6.950 40.520 -20.273 1.00 0.00 O ATOM 0 H GLY A 68 -10.860 39.862 -21.449 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.320 39.989 -18.992 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.085 38.941 -20.377 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.377 41.938 -21.269 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.427 42.846 -21.893 1.00 0.00 C ATOM 1041 C ASP A 69 -8.004 44.277 -21.933 1.00 0.00 C ATOM 1042 O ASP A 69 -9.174 44.523 -21.624 1.00 0.00 O ATOM 1043 CB ASP A 69 -7.052 42.320 -23.292 1.00 0.00 C ATOM 1044 CG ASP A 69 -8.231 42.309 -24.279 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -9.037 41.348 -24.268 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -8.342 43.259 -25.088 1.00 0.00 O ATOM 0 H ASP A 69 -9.340 42.224 -21.444 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.512 42.891 -21.303 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.252 42.937 -23.701 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.658 41.308 -23.198 1.00 0.00 H new ATOM 1051 N LEU A 70 -7.136 45.222 -22.274 1.00 0.00 N ATOM 1052 CA LEU A 70 -7.333 46.675 -22.151 1.00 0.00 C ATOM 1053 C LEU A 70 -8.427 47.262 -23.080 1.00 0.00 C ATOM 1054 O LEU A 70 -8.782 46.640 -24.087 1.00 0.00 O ATOM 1055 CB LEU A 70 -5.973 47.371 -22.380 1.00 0.00 C ATOM 1056 CG LEU A 70 -4.991 47.274 -21.200 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -3.613 47.775 -21.635 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -5.454 48.131 -20.021 1.00 0.00 C ATOM 0 H LEU A 70 -6.223 44.990 -22.666 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.707 46.867 -21.145 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.503 46.937 -23.262 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.152 48.424 -22.600 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.947 46.229 -20.892 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.919 47.705 -20.797 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.248 47.164 -22.460 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.689 48.813 -21.958 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.739 48.041 -19.203 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.520 49.173 -20.333 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.434 47.790 -19.686 1.00 0.00 H new ATOM 1070 N PRO A 71 -8.947 48.477 -22.793 1.00 0.00 N ATOM 1071 CA PRO A 71 -10.033 49.083 -23.572 1.00 0.00 C ATOM 1072 C PRO A 71 -9.672 49.404 -25.031 1.00 0.00 C ATOM 1073 O PRO A 71 -10.444 49.068 -25.930 1.00 0.00 O ATOM 1074 CB PRO A 71 -10.448 50.348 -22.808 1.00 0.00 C ATOM 1075 CG PRO A 71 -10.015 50.055 -21.375 1.00 0.00 C ATOM 1076 CD PRO A 71 -8.730 49.260 -21.580 1.00 0.00 C ATOM 0 HA PRO A 71 -10.848 48.365 -23.664 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.954 51.236 -23.203 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.522 50.524 -22.875 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.841 50.969 -20.808 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.766 49.481 -20.832 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.871 49.923 -21.689 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.528 48.613 -20.726 1.00 0.00 H new ATOM 1084 N GLU A 72 -8.516 50.037 -25.283 1.00 0.00 N ATOM 1085 CA GLU A 72 -8.097 50.483 -26.628 1.00 0.00 C ATOM 1086 C GLU A 72 -6.614 50.196 -27.003 1.00 0.00 C ATOM 1087 O GLU A 72 -5.876 51.106 -27.402 1.00 0.00 O ATOM 1088 CB GLU A 72 -8.435 51.983 -26.796 1.00 0.00 C ATOM 1089 CG GLU A 72 -9.912 52.327 -26.564 1.00 0.00 C ATOM 1090 CD GLU A 72 -10.215 53.778 -26.985 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -10.037 54.707 -26.159 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -10.642 54.004 -28.145 1.00 0.00 O ATOM 0 H GLU A 72 -7.837 50.257 -24.555 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.664 49.875 -27.333 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.826 52.561 -26.101 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.155 52.296 -27.802 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.542 51.641 -27.131 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.160 52.191 -25.511 1.00 0.00 H new ATOM 1099 N PRO A 73 -6.181 48.919 -27.013 1.00 0.00 N ATOM 1100 CA PRO A 73 -5.172 48.405 -27.949 1.00 0.00 C ATOM 1101 C PRO A 73 -5.633 48.464 -29.420 1.00 0.00 C ATOM 1102 O PRO A 73 -6.736 48.926 -29.727 1.00 0.00 O ATOM 1103 CB PRO A 73 -4.928 46.953 -27.512 1.00 0.00 C ATOM 1104 CG PRO A 73 -5.266 46.963 -26.026 1.00 0.00 C ATOM 1105 CD PRO A 73 -6.426 47.951 -25.957 1.00 0.00 C ATOM 0 HA PRO A 73 -4.269 49.014 -27.914 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.561 46.257 -28.062 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.895 46.650 -27.686 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.554 45.974 -25.669 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.420 47.287 -25.420 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.380 47.445 -26.103 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.469 48.437 -24.982 1.00 0.00 H new ATOM 1113 N LYS A 74 -4.826 47.921 -30.345 1.00 0.00 N ATOM 1114 CA LYS A 74 -5.286 47.579 -31.704 1.00 0.00 C ATOM 1115 C LYS A 74 -6.192 46.340 -31.645 1.00 0.00 C ATOM 1116 O LYS A 74 -5.707 45.208 -31.566 1.00 0.00 O ATOM 1117 CB LYS A 74 -4.083 47.396 -32.647 1.00 0.00 C ATOM 1118 CG LYS A 74 -4.542 47.141 -34.094 1.00 0.00 C ATOM 1119 CD LYS A 74 -3.339 46.997 -35.037 1.00 0.00 C ATOM 1120 CE LYS A 74 -3.819 46.747 -36.472 1.00 0.00 C ATOM 1121 NZ LYS A 74 -2.678 46.604 -37.414 1.00 0.00 N ATOM 0 H LYS A 74 -3.843 47.707 -30.176 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.879 48.397 -32.113 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.453 48.285 -32.614 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.473 46.561 -32.304 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.149 46.236 -34.132 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.174 47.963 -34.429 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.730 47.900 -35.002 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.706 46.172 -34.708 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.430 45.845 -36.500 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.455 47.572 -36.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.040 46.436 -38.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.110 47.475 -37.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.085 45.801 -37.122 1.00 0.00 H new ATOM 1135 N LYS A 75 -7.508 46.566 -31.656 1.00 0.00 N ATOM 1136 CA LYS A 75 -8.563 45.538 -31.581 1.00 0.00 C ATOM 1137 C LYS A 75 -9.812 45.959 -32.363 1.00 0.00 C ATOM 1138 O LYS A 75 -10.227 47.119 -32.305 1.00 0.00 O ATOM 1139 CB LYS A 75 -8.872 45.199 -30.104 1.00 0.00 C ATOM 1140 CG LYS A 75 -9.346 46.395 -29.255 1.00 0.00 C ATOM 1141 CD LYS A 75 -9.291 46.118 -27.746 1.00 0.00 C ATOM 1142 CE LYS A 75 -10.483 45.299 -27.245 1.00 0.00 C ATOM 1143 NZ LYS A 75 -10.349 45.010 -25.799 1.00 0.00 N ATOM 0 H LYS A 75 -7.890 47.510 -31.720 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.201 44.627 -32.058 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.638 44.424 -30.076 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.976 44.778 -29.647 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.727 47.263 -29.482 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.368 46.650 -29.535 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.368 45.586 -27.513 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.257 47.066 -27.209 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.408 45.845 -27.427 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.549 44.365 -27.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.293 44.883 -25.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.793 44.141 -25.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.867 45.803 -25.330 1.00 0.00 H new ATOM 1157 N VAL A 76 -10.401 45.010 -33.092 1.00 0.00 N ATOM 1158 CA VAL A 76 -11.623 45.179 -33.908 1.00 0.00 C ATOM 1159 C VAL A 76 -12.598 44.005 -33.728 1.00 0.00 C ATOM 1160 O VAL A 76 -12.195 42.904 -33.343 1.00 0.00 O ATOM 1161 CB VAL A 76 -11.297 45.382 -35.406 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -10.520 46.681 -35.649 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -10.509 44.220 -36.027 1.00 0.00 C ATOM 0 H VAL A 76 -10.031 44.061 -33.138 1.00 0.00 H new ATOM 0 HA VAL A 76 -12.110 46.084 -33.545 1.00 0.00 H new ATOM 0 HB VAL A 76 -12.270 45.431 -35.894 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.311 46.786 -36.714 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.115 47.529 -35.311 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.581 46.652 -35.096 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.317 44.432 -37.079 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.561 44.101 -35.501 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.089 43.301 -35.942 1.00 0.00 H new ATOM 1173 N LYS A 77 -13.885 44.234 -34.024 1.00 0.00 N ATOM 1174 CA LYS A 77 -14.958 43.223 -33.971 1.00 0.00 C ATOM 1175 C LYS A 77 -14.844 42.142 -35.069 1.00 0.00 C ATOM 1176 O LYS A 77 -14.800 40.963 -34.706 1.00 0.00 O ATOM 1177 CB LYS A 77 -16.359 43.858 -33.841 1.00 0.00 C ATOM 1178 CG LYS A 77 -16.546 44.544 -32.475 1.00 0.00 C ATOM 1179 CD LYS A 77 -17.913 45.231 -32.325 1.00 0.00 C ATOM 1180 CE LYS A 77 -19.077 44.231 -32.338 1.00 0.00 C ATOM 1181 NZ LYS A 77 -20.382 44.910 -32.125 1.00 0.00 N ATOM 0 H LYS A 77 -14.221 45.152 -34.315 1.00 0.00 H new ATOM 0 HA LYS A 77 -14.809 42.668 -33.045 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.504 44.587 -34.638 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.121 43.089 -33.970 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.430 43.803 -31.684 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.758 45.284 -32.336 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.933 45.794 -31.392 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.046 45.949 -33.134 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.092 43.702 -33.291 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.924 43.483 -31.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.147 44.205 -32.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.375 45.394 -31.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.539 45.606 -32.881 1.00 0.00 H new ATOM 1195 N PRO A 78 -14.868 42.469 -36.382 1.00 0.00 N ATOM 1196 CA PRO A 78 -14.873 41.464 -37.453 1.00 0.00 C ATOM 1197 C PRO A 78 -13.620 40.557 -37.467 1.00 0.00 C ATOM 1198 O PRO A 78 -12.546 40.996 -37.039 1.00 0.00 O ATOM 1199 CB PRO A 78 -14.994 42.248 -38.769 1.00 0.00 C ATOM 1200 CG PRO A 78 -15.563 43.598 -38.343 1.00 0.00 C ATOM 1201 CD PRO A 78 -14.916 43.798 -36.978 1.00 0.00 C ATOM 0 HA PRO A 78 -15.704 40.776 -37.299 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.026 42.359 -39.258 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -15.652 41.743 -39.476 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -15.297 44.392 -39.041 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -16.651 43.581 -38.280 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.917 44.223 -37.074 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -15.497 44.485 -36.363 1.00 0.00 H new ATOM 1209 N PRO A 79 -13.711 39.321 -38.004 1.00 0.00 N ATOM 1210 CA PRO A 79 -14.914 38.705 -38.579 1.00 0.00 C ATOM 1211 C PRO A 79 -15.850 38.073 -37.530 1.00 0.00 C ATOM 1212 O PRO A 79 -17.060 38.005 -37.759 1.00 0.00 O ATOM 1213 CB PRO A 79 -14.372 37.646 -39.545 1.00 0.00 C ATOM 1214 CG PRO A 79 -13.077 37.184 -38.878 1.00 0.00 C ATOM 1215 CD PRO A 79 -12.552 38.464 -38.228 1.00 0.00 C ATOM 0 HA PRO A 79 -15.537 39.456 -39.065 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.074 36.822 -39.672 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -14.187 38.063 -40.535 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.259 36.402 -38.141 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.371 36.780 -39.603 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -12.046 38.242 -37.288 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -11.824 38.956 -38.873 1.00 0.00 H new ATOM 1223 N ARG A 80 -15.308 37.611 -36.392 1.00 0.00 N ATOM 1224 CA ARG A 80 -16.012 36.879 -35.319 1.00 0.00 C ATOM 1225 C ARG A 80 -15.492 37.254 -33.927 1.00 0.00 C ATOM 1226 O ARG A 80 -14.255 37.311 -33.736 1.00 0.00 O ATOM 1227 CB ARG A 80 -15.886 35.354 -35.536 1.00 0.00 C ATOM 1228 CG ARG A 80 -16.662 34.806 -36.748 1.00 0.00 C ATOM 1229 CD ARG A 80 -18.189 34.835 -36.573 1.00 0.00 C ATOM 1230 NE ARG A 80 -18.677 33.753 -35.700 1.00 0.00 N ATOM 1231 CZ ARG A 80 -19.024 33.807 -34.432 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -18.872 34.861 -33.688 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -19.535 32.761 -33.863 1.00 0.00 N ATOM 1234 OXT ARG A 80 -16.342 37.463 -33.033 1.00 0.00 O ATOM 0 H ARG A 80 -14.319 37.743 -36.182 1.00 0.00 H new ATOM 0 HA ARG A 80 -17.062 37.168 -35.368 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.832 35.104 -35.655 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.235 34.844 -34.638 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.396 35.387 -37.631 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.347 33.780 -36.935 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -18.485 35.797 -36.155 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -18.665 34.752 -37.550 1.00 0.00 H new ATOM 0 HE ARG A 80 -18.757 32.836 -36.139 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.464 35.709 -34.082 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.161 34.841 -32.710 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -19.666 31.902 -34.398 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.806 32.796 -32.880 1.00 0.00 H new TER 1248 ARG A 80