USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 490 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 38 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 42 THR OG1 : rot 109:sc= 1.27 USER MOD Single : A 1 GLY N :NH3+ -150:sc= 0 (180deg=-0.0524) USER MOD Single : A 3 MET CE :methyl -125:sc= -0.02 (180deg=-0.0909) USER MOD Single : A 4 SER OG : rot -56:sc= 0.0776 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -61:sc= 0.209 USER MOD Single : A 14 SER OG : rot -170:sc= -0.959 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -2.22 USER MOD Single : A 24 SER OG : rot -60:sc= -0.0505 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.19) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.00376) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0315 K(o=-0.031,f=-0.56) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 82:sc= 0.0764 USER MOD Single : A 60 SER OG : rot -30:sc= 0.965 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.758 19.140 0.684 1.00 0.00 N ATOM 2 CA GLY A 1 -32.734 19.018 -0.802 1.00 0.00 C ATOM 3 C GLY A 1 -32.839 17.540 -1.195 1.00 0.00 C ATOM 4 O GLY A 1 -33.920 17.044 -1.443 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.186 20.050 0.951 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.319 18.362 1.087 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.786 19.093 1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.560 19.581 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.813 19.446 -1.198 1.00 0.00 H new ATOM 10 N PRO A 2 -31.708 16.883 -1.239 1.00 0.00 N ATOM 11 CA PRO A 2 -31.681 15.445 -1.607 1.00 0.00 C ATOM 12 C PRO A 2 -32.232 14.591 -0.462 1.00 0.00 C ATOM 13 O PRO A 2 -32.106 14.934 0.697 1.00 0.00 O ATOM 14 CB PRO A 2 -30.199 15.160 -1.833 1.00 0.00 C ATOM 15 CG PRO A 2 -29.477 16.188 -1.020 1.00 0.00 C ATOM 16 CD PRO A 2 -30.364 17.404 -0.955 1.00 0.00 C ATOM 0 HA PRO A 2 -32.292 15.214 -2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -29.938 14.151 -1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -29.939 15.238 -2.889 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -29.267 15.810 -0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -28.518 16.435 -1.475 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -30.319 17.878 0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -30.065 18.155 -1.686 1.00 0.00 H new ATOM 24 N MET A 3 -32.844 13.482 -0.780 1.00 0.00 N ATOM 25 CA MET A 3 -33.405 12.603 0.289 1.00 0.00 C ATOM 26 C MET A 3 -32.742 11.223 0.240 1.00 0.00 C ATOM 27 O MET A 3 -31.700 11.046 -0.359 1.00 0.00 O ATOM 28 CB MET A 3 -34.899 12.497 -0.026 1.00 0.00 C ATOM 29 CG MET A 3 -35.094 11.916 -1.429 1.00 0.00 C ATOM 30 SD MET A 3 -36.834 11.484 -1.668 1.00 0.00 S ATOM 31 CE MET A 3 -37.439 13.156 -2.006 1.00 0.00 C ATOM 0 H MET A 3 -32.980 13.146 -1.733 1.00 0.00 H new ATOM 0 HA MET A 3 -33.229 13.003 1.288 1.00 0.00 H new ATOM 0 HB2 MET A 3 -35.391 11.863 0.712 1.00 0.00 H new ATOM 0 HB3 MET A 3 -35.364 13.481 0.038 1.00 0.00 H new ATOM 0 HG2 MET A 3 -34.782 12.641 -2.181 1.00 0.00 H new ATOM 0 HG3 MET A 3 -34.468 11.033 -1.559 1.00 0.00 H new ATOM 0 HE1 MET A 3 -38.249 13.396 -1.317 1.00 0.00 H new ATOM 0 HE2 MET A 3 -36.626 13.870 -1.875 1.00 0.00 H new ATOM 0 HE3 MET A 3 -37.807 13.210 -3.031 1.00 0.00 H new ATOM 41 N SER A 4 -33.342 10.243 0.867 1.00 0.00 N ATOM 42 CA SER A 4 -32.752 8.868 0.863 1.00 0.00 C ATOM 43 C SER A 4 -31.299 8.909 1.348 1.00 0.00 C ATOM 44 O SER A 4 -30.412 8.360 0.723 1.00 0.00 O ATOM 45 CB SER A 4 -32.819 8.408 -0.594 1.00 0.00 C ATOM 46 OG SER A 4 -32.580 7.008 -0.654 1.00 0.00 O ATOM 0 H SER A 4 -34.217 10.335 1.383 1.00 0.00 H new ATOM 0 HA SER A 4 -33.288 8.191 1.528 1.00 0.00 H new ATOM 0 HB2 SER A 4 -33.796 8.641 -1.017 1.00 0.00 H new ATOM 0 HB3 SER A 4 -32.079 8.941 -1.191 1.00 0.00 H new ATOM 0 HG SER A 4 -31.721 6.804 -0.229 1.00 0.00 H new ATOM 52 N THR A 5 -31.053 9.553 2.456 1.00 0.00 N ATOM 53 CA THR A 5 -29.658 9.629 2.984 1.00 0.00 C ATOM 54 C THR A 5 -29.187 8.241 3.427 1.00 0.00 C ATOM 55 O THR A 5 -28.018 7.917 3.345 1.00 0.00 O ATOM 56 CB THR A 5 -29.734 10.580 4.181 1.00 0.00 C ATOM 57 OG1 THR A 5 -30.242 11.835 3.753 1.00 0.00 O ATOM 58 CG2 THR A 5 -28.338 10.768 4.777 1.00 0.00 C ATOM 0 H THR A 5 -31.757 10.030 3.020 1.00 0.00 H new ATOM 0 HA THR A 5 -28.951 9.981 2.233 1.00 0.00 H new ATOM 0 HB THR A 5 -30.395 10.159 4.939 1.00 0.00 H new ATOM 0 HG1 THR A 5 -30.293 12.445 4.518 1.00 0.00 H new ATOM 0 HG21 THR A 5 -28.394 11.445 5.629 1.00 0.00 H new ATOM 0 HG22 THR A 5 -27.950 9.804 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 5 -27.674 11.189 4.022 1.00 0.00 H new ATOM 66 N THR A 6 -30.089 7.420 3.893 1.00 0.00 N ATOM 67 CA THR A 6 -29.699 6.049 4.340 1.00 0.00 C ATOM 68 C THR A 6 -28.920 5.330 3.232 1.00 0.00 C ATOM 69 O THR A 6 -28.122 4.451 3.492 1.00 0.00 O ATOM 70 CB THR A 6 -31.021 5.329 4.626 1.00 0.00 C ATOM 71 OG1 THR A 6 -30.750 4.008 5.072 1.00 0.00 O ATOM 72 CG2 THR A 6 -31.870 5.276 3.353 1.00 0.00 C ATOM 0 H THR A 6 -31.081 7.639 3.984 1.00 0.00 H new ATOM 0 HA THR A 6 -29.052 6.071 5.217 1.00 0.00 H new ATOM 0 HB THR A 6 -31.568 5.871 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 6 -30.277 3.516 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 6 -32.809 4.763 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 6 -32.079 6.290 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 6 -31.328 4.737 2.576 1.00 0.00 H new ATOM 80 N GLU A 7 -29.148 5.699 2.000 1.00 0.00 N ATOM 81 CA GLU A 7 -28.423 5.039 0.874 1.00 0.00 C ATOM 82 C GLU A 7 -26.964 5.505 0.839 1.00 0.00 C ATOM 83 O GLU A 7 -26.048 4.707 0.824 1.00 0.00 O ATOM 84 CB GLU A 7 -29.160 5.486 -0.390 1.00 0.00 C ATOM 85 CG GLU A 7 -28.535 4.811 -1.613 1.00 0.00 C ATOM 86 CD GLU A 7 -29.323 3.547 -1.959 1.00 0.00 C ATOM 87 OE1 GLU A 7 -30.529 3.649 -2.117 1.00 0.00 O ATOM 88 OE2 GLU A 7 -28.708 2.499 -2.061 1.00 0.00 O ATOM 0 H GLU A 7 -29.805 6.429 1.724 1.00 0.00 H new ATOM 0 HA GLU A 7 -28.407 3.954 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -30.216 5.226 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -29.104 6.570 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -28.537 5.497 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -27.494 4.559 -1.410 1.00 0.00 H new ATOM 95 N VAL A 8 -26.744 6.793 0.825 1.00 0.00 N ATOM 96 CA VAL A 8 -25.345 7.313 0.789 1.00 0.00 C ATOM 97 C VAL A 8 -24.616 6.952 2.087 1.00 0.00 C ATOM 98 O VAL A 8 -23.415 6.770 2.105 1.00 0.00 O ATOM 99 CB VAL A 8 -25.485 8.831 0.656 1.00 0.00 C ATOM 100 CG1 VAL A 8 -24.096 9.471 0.600 1.00 0.00 C ATOM 101 CG2 VAL A 8 -26.248 9.162 -0.629 1.00 0.00 C ATOM 0 H VAL A 8 -27.472 7.507 0.837 1.00 0.00 H new ATOM 0 HA VAL A 8 -24.767 6.886 -0.031 1.00 0.00 H new ATOM 0 HB VAL A 8 -26.030 9.220 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -24.197 10.552 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -23.550 9.236 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -23.550 9.081 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -26.348 10.243 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -25.702 8.771 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -27.238 8.708 -0.591 1.00 0.00 H new ATOM 111 N ARG A 9 -25.335 6.849 3.173 1.00 0.00 N ATOM 112 CA ARG A 9 -24.685 6.500 4.471 1.00 0.00 C ATOM 113 C ARG A 9 -24.294 5.021 4.488 1.00 0.00 C ATOM 114 O ARG A 9 -23.200 4.663 4.881 1.00 0.00 O ATOM 115 CB ARG A 9 -25.746 6.787 5.536 1.00 0.00 C ATOM 116 CG ARG A 9 -25.506 8.173 6.136 1.00 0.00 C ATOM 117 CD ARG A 9 -24.275 8.130 7.046 1.00 0.00 C ATOM 118 NE ARG A 9 -24.635 7.177 8.132 1.00 0.00 N ATOM 119 CZ ARG A 9 -23.759 6.305 8.551 1.00 0.00 C ATOM 120 NH1 ARG A 9 -23.681 5.133 7.982 1.00 0.00 N ATOM 121 NH2 ARG A 9 -22.960 6.605 9.538 1.00 0.00 N ATOM 0 H ARG A 9 -26.344 6.991 3.218 1.00 0.00 H new ATOM 0 HA ARG A 9 -23.772 7.070 4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -26.742 6.738 5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -25.706 6.029 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -25.358 8.904 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -26.380 8.491 6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -23.393 7.794 6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -24.045 9.117 7.447 1.00 0.00 H new ATOM 0 HE ARG A 9 -25.566 7.206 8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -24.305 4.898 7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -22.996 4.452 8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -23.020 7.521 9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -22.275 5.923 9.865 1.00 0.00 H new ATOM 135 N GLU A 10 -25.180 4.159 4.066 1.00 0.00 N ATOM 136 CA GLU A 10 -24.862 2.700 4.059 1.00 0.00 C ATOM 137 C GLU A 10 -23.660 2.424 3.150 1.00 0.00 C ATOM 138 O GLU A 10 -22.695 1.805 3.556 1.00 0.00 O ATOM 139 CB GLU A 10 -26.117 2.021 3.507 1.00 0.00 C ATOM 140 CG GLU A 10 -27.063 1.677 4.660 1.00 0.00 C ATOM 141 CD GLU A 10 -28.393 1.175 4.097 1.00 0.00 C ATOM 142 OE1 GLU A 10 -28.360 0.322 3.225 1.00 0.00 O ATOM 143 OE2 GLU A 10 -29.422 1.652 4.547 1.00 0.00 O ATOM 0 H GLU A 10 -26.111 4.401 3.726 1.00 0.00 H new ATOM 0 HA GLU A 10 -24.602 2.331 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.617 2.680 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.844 1.116 2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -26.615 0.914 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.228 2.556 5.283 1.00 0.00 H new ATOM 150 N ARG A 11 -23.714 2.876 1.927 1.00 0.00 N ATOM 151 CA ARG A 11 -22.575 2.639 0.990 1.00 0.00 C ATOM 152 C ARG A 11 -21.301 3.302 1.523 1.00 0.00 C ATOM 153 O ARG A 11 -20.204 2.827 1.298 1.00 0.00 O ATOM 154 CB ARG A 11 -23.003 3.285 -0.329 1.00 0.00 C ATOM 155 CG ARG A 11 -21.940 3.016 -1.397 1.00 0.00 C ATOM 156 CD ARG A 11 -22.284 1.726 -2.146 1.00 0.00 C ATOM 157 NE ARG A 11 -21.759 1.931 -3.524 1.00 0.00 N ATOM 158 CZ ARG A 11 -22.259 1.251 -4.520 1.00 0.00 C ATOM 159 NH1 ARG A 11 -23.549 1.241 -4.720 1.00 0.00 N ATOM 160 NH2 ARG A 11 -21.470 0.583 -5.316 1.00 0.00 N ATOM 0 H ARG A 11 -24.497 3.399 1.534 1.00 0.00 H new ATOM 0 HA ARG A 11 -22.355 1.578 0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -23.965 2.883 -0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -23.135 4.359 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -21.890 3.852 -2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.957 2.929 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -21.823 0.859 -1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -23.360 1.549 -2.155 1.00 0.00 H new ATOM 0 HE ARG A 11 -21.009 2.602 -3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -24.166 1.764 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -23.940 0.710 -5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.462 0.592 -5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.861 0.052 -6.094 1.00 0.00 H new ATOM 174 N ARG A 12 -21.437 4.395 2.225 1.00 0.00 N ATOM 175 CA ARG A 12 -20.234 5.088 2.770 1.00 0.00 C ATOM 176 C ARG A 12 -19.553 4.218 3.830 1.00 0.00 C ATOM 177 O ARG A 12 -18.348 4.239 3.980 1.00 0.00 O ATOM 178 CB ARG A 12 -20.765 6.380 3.394 1.00 0.00 C ATOM 179 CG ARG A 12 -19.600 7.189 3.968 1.00 0.00 C ATOM 180 CD ARG A 12 -20.085 8.592 4.337 1.00 0.00 C ATOM 181 NE ARG A 12 -20.248 9.297 3.036 1.00 0.00 N ATOM 182 CZ ARG A 12 -19.197 9.706 2.378 1.00 0.00 C ATOM 183 NH1 ARG A 12 -18.598 10.811 2.729 1.00 0.00 N ATOM 184 NH2 ARG A 12 -18.746 9.009 1.371 1.00 0.00 N ATOM 0 H ARG A 12 -22.329 4.838 2.445 1.00 0.00 H new ATOM 0 HA ARG A 12 -19.490 5.286 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -21.294 6.967 2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -21.482 6.148 4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -19.195 6.689 4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -18.793 7.252 3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -21.026 8.553 4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -19.365 9.103 4.976 1.00 0.00 H new ATOM 0 HE ARG A 12 -21.181 9.461 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -18.951 11.354 3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.777 11.131 2.216 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -19.215 8.145 1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.925 9.328 0.857 1.00 0.00 H new ATOM 198 N ARG A 13 -20.316 3.458 4.570 1.00 0.00 N ATOM 199 CA ARG A 13 -19.712 2.589 5.624 1.00 0.00 C ATOM 200 C ARG A 13 -19.115 1.322 4.999 1.00 0.00 C ATOM 201 O ARG A 13 -18.102 0.818 5.441 1.00 0.00 O ATOM 202 CB ARG A 13 -20.872 2.231 6.554 1.00 0.00 C ATOM 203 CG ARG A 13 -20.340 1.447 7.755 1.00 0.00 C ATOM 204 CD ARG A 13 -19.839 2.422 8.822 1.00 0.00 C ATOM 205 NE ARG A 13 -20.224 1.803 10.120 1.00 0.00 N ATOM 206 CZ ARG A 13 -19.478 1.983 11.176 1.00 0.00 C ATOM 207 NH1 ARG A 13 -19.026 3.174 11.459 1.00 0.00 N ATOM 208 NH2 ARG A 13 -19.184 0.972 11.947 1.00 0.00 N ATOM 0 H ARG A 13 -21.331 3.401 4.491 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.901 3.090 6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -21.374 3.137 6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -21.612 1.637 6.018 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -21.126 0.814 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -19.531 0.787 7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -18.760 2.560 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -20.294 3.405 8.703 1.00 0.00 H new ATOM 0 HE ARG A 13 -21.071 1.238 10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -19.256 3.963 10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.443 3.316 12.284 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -19.537 0.041 11.724 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.601 1.112 12.772 1.00 0.00 H new ATOM 222 N SER A 14 -19.742 0.803 3.977 1.00 0.00 N ATOM 223 CA SER A 14 -19.221 -0.436 3.323 1.00 0.00 C ATOM 224 C SER A 14 -17.912 -0.150 2.584 1.00 0.00 C ATOM 225 O SER A 14 -17.078 -1.021 2.433 1.00 0.00 O ATOM 226 CB SER A 14 -20.303 -0.873 2.331 1.00 0.00 C ATOM 227 OG SER A 14 -21.440 -0.027 2.452 1.00 0.00 O ATOM 0 H SER A 14 -20.594 1.183 3.565 1.00 0.00 H new ATOM 0 HA SER A 14 -19.009 -1.212 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.914 -0.831 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 14 -20.587 -1.908 2.522 1.00 0.00 H new ATOM 0 HG SER A 14 -22.183 -0.402 1.935 1.00 0.00 H new ATOM 233 N TYR A 15 -17.735 1.058 2.105 1.00 0.00 N ATOM 234 CA TYR A 15 -16.486 1.411 1.353 1.00 0.00 C ATOM 235 C TYR A 15 -15.245 0.774 2.004 1.00 0.00 C ATOM 236 O TYR A 15 -14.277 0.465 1.336 1.00 0.00 O ATOM 237 CB TYR A 15 -16.426 2.950 1.388 1.00 0.00 C ATOM 238 CG TYR A 15 -15.477 3.435 2.464 1.00 0.00 C ATOM 239 CD1 TYR A 15 -15.803 3.271 3.815 1.00 0.00 C ATOM 240 CD2 TYR A 15 -14.273 4.055 2.105 1.00 0.00 C ATOM 241 CE1 TYR A 15 -14.927 3.727 4.808 1.00 0.00 C ATOM 242 CE2 TYR A 15 -13.397 4.510 3.098 1.00 0.00 C ATOM 243 CZ TYR A 15 -13.724 4.345 4.448 1.00 0.00 C ATOM 244 OH TYR A 15 -12.860 4.794 5.427 1.00 0.00 O ATOM 0 H TYR A 15 -18.406 1.820 2.203 1.00 0.00 H new ATOM 0 HA TYR A 15 -16.499 1.033 0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.103 3.326 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.423 3.352 1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.731 2.792 4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -14.021 4.182 1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -15.180 3.602 5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -12.469 4.988 2.822 1.00 0.00 H new ATOM 0 HH TYR A 15 -12.071 5.197 5.008 1.00 0.00 H new ATOM 254 N LEU A 16 -15.273 0.564 3.293 1.00 0.00 N ATOM 255 CA LEU A 16 -14.105 -0.064 3.971 1.00 0.00 C ATOM 256 C LEU A 16 -14.575 -0.977 5.095 1.00 0.00 C ATOM 257 O LEU A 16 -13.973 -1.041 6.149 1.00 0.00 O ATOM 258 CB LEU A 16 -13.286 1.091 4.536 1.00 0.00 C ATOM 259 CG LEU A 16 -11.969 0.549 5.105 1.00 0.00 C ATOM 260 CD1 LEU A 16 -10.791 1.147 4.334 1.00 0.00 C ATOM 261 CD2 LEU A 16 -11.854 0.929 6.583 1.00 0.00 C ATOM 0 H LEU A 16 -16.054 0.801 3.904 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.520 -0.674 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.084 1.824 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.849 1.603 5.316 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.954 -0.536 5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.856 0.760 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.869 0.875 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.807 2.233 4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.918 0.543 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.872 2.014 6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.691 0.500 7.135 1.00 0.00 H new ATOM 273 N THR A 17 -15.644 -1.690 4.878 1.00 0.00 N ATOM 274 CA THR A 17 -16.148 -2.607 5.939 1.00 0.00 C ATOM 275 C THR A 17 -15.019 -3.537 6.410 1.00 0.00 C ATOM 276 O THR A 17 -14.799 -3.684 7.596 1.00 0.00 O ATOM 277 CB THR A 17 -17.287 -3.412 5.297 1.00 0.00 C ATOM 278 OG1 THR A 17 -17.596 -2.875 4.019 1.00 0.00 O ATOM 279 CG2 THR A 17 -18.527 -3.348 6.191 1.00 0.00 C ATOM 0 H THR A 17 -16.189 -1.678 4.016 1.00 0.00 H new ATOM 0 HA THR A 17 -16.500 -2.061 6.814 1.00 0.00 H new ATOM 0 HB THR A 17 -16.973 -4.450 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.322 -3.393 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 17 -19.335 -3.920 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 17 -18.293 -3.769 7.169 1.00 0.00 H new ATOM 0 HG23 THR A 17 -18.838 -2.310 6.308 1.00 0.00 H new ATOM 287 N PRO A 18 -14.324 -4.126 5.465 1.00 0.00 N ATOM 288 CA PRO A 18 -13.207 -5.025 5.792 1.00 0.00 C ATOM 289 C PRO A 18 -11.909 -4.225 5.824 1.00 0.00 C ATOM 290 O PRO A 18 -11.277 -4.012 4.808 1.00 0.00 O ATOM 291 CB PRO A 18 -13.205 -6.008 4.629 1.00 0.00 C ATOM 292 CG PRO A 18 -13.844 -5.278 3.478 1.00 0.00 C ATOM 293 CD PRO A 18 -14.500 -4.025 4.017 1.00 0.00 C ATOM 0 HA PRO A 18 -13.300 -5.517 6.760 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.190 -6.319 4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.763 -6.911 4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.096 -5.022 2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.582 -5.913 2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.029 -3.126 3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.555 -3.979 3.746 1.00 0.00 H new ATOM 301 N VAL A 19 -11.513 -3.766 6.977 1.00 0.00 N ATOM 302 CA VAL A 19 -10.260 -2.962 7.058 1.00 0.00 C ATOM 303 C VAL A 19 -9.032 -3.847 6.848 1.00 0.00 C ATOM 304 O VAL A 19 -7.923 -3.368 6.717 1.00 0.00 O ATOM 305 CB VAL A 19 -10.259 -2.358 8.463 1.00 0.00 C ATOM 306 CG1 VAL A 19 -9.012 -1.491 8.647 1.00 0.00 C ATOM 307 CG2 VAL A 19 -11.512 -1.497 8.655 1.00 0.00 C ATOM 0 H VAL A 19 -11.998 -3.911 7.863 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.222 -2.194 6.286 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.255 -3.161 9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.012 -1.061 9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.120 -2.104 8.515 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.014 -0.690 7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.509 -1.068 9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.519 -0.695 7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.401 -2.115 8.528 1.00 0.00 H new ATOM 317 N ARG A 20 -9.230 -5.130 6.811 1.00 0.00 N ATOM 318 CA ARG A 20 -8.090 -6.077 6.602 1.00 0.00 C ATOM 319 C ARG A 20 -7.212 -5.617 5.431 1.00 0.00 C ATOM 320 O ARG A 20 -6.027 -5.888 5.390 1.00 0.00 O ATOM 321 CB ARG A 20 -8.748 -7.419 6.275 1.00 0.00 C ATOM 322 CG ARG A 20 -9.817 -7.217 5.197 1.00 0.00 C ATOM 323 CD ARG A 20 -10.090 -8.545 4.489 1.00 0.00 C ATOM 324 NE ARG A 20 -10.286 -8.186 3.056 1.00 0.00 N ATOM 325 CZ ARG A 20 -10.723 -9.082 2.213 1.00 0.00 C ATOM 326 NH1 ARG A 20 -11.980 -9.431 2.226 1.00 0.00 N ATOM 327 NH2 ARG A 20 -9.903 -9.628 1.358 1.00 0.00 N ATOM 0 H ARG A 20 -10.142 -5.575 6.917 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.443 -6.135 7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.997 -8.129 5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.198 -7.843 7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.735 -6.838 5.647 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.484 -6.471 4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.256 -9.236 4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.974 -9.035 4.897 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.079 -7.241 2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.621 -9.004 2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.322 -10.131 1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.920 -9.355 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.245 -10.328 0.699 1.00 0.00 H new ATOM 341 N ASP A 21 -7.782 -4.923 4.480 1.00 0.00 N ATOM 342 CA ASP A 21 -6.976 -4.448 3.317 1.00 0.00 C ATOM 343 C ASP A 21 -6.126 -3.253 3.727 1.00 0.00 C ATOM 344 O ASP A 21 -5.055 -3.020 3.201 1.00 0.00 O ATOM 345 CB ASP A 21 -8.000 -4.049 2.253 1.00 0.00 C ATOM 346 CG ASP A 21 -7.303 -3.924 0.896 1.00 0.00 C ATOM 347 OD1 ASP A 21 -7.002 -4.951 0.311 1.00 0.00 O ATOM 348 OD2 ASP A 21 -7.083 -2.803 0.467 1.00 0.00 O ATOM 0 H ASP A 21 -8.769 -4.665 4.459 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.292 -5.212 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.794 -4.794 2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.469 -3.103 2.521 1.00 0.00 H new ATOM 353 N GLU A 22 -6.602 -2.503 4.668 1.00 0.00 N ATOM 354 CA GLU A 22 -5.849 -1.318 5.146 1.00 0.00 C ATOM 355 C GLU A 22 -4.695 -1.768 6.043 1.00 0.00 C ATOM 356 O GLU A 22 -3.652 -1.146 6.091 1.00 0.00 O ATOM 357 CB GLU A 22 -6.861 -0.490 5.942 1.00 0.00 C ATOM 358 CG GLU A 22 -7.296 0.721 5.114 1.00 0.00 C ATOM 359 CD GLU A 22 -7.690 1.864 6.052 1.00 0.00 C ATOM 360 OE1 GLU A 22 -8.659 1.704 6.777 1.00 0.00 O ATOM 361 OE2 GLU A 22 -7.017 2.882 6.030 1.00 0.00 O ATOM 0 H GLU A 22 -7.495 -2.661 5.135 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.417 -0.742 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.728 -1.101 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.418 -0.161 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.485 1.037 4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.137 0.455 4.474 1.00 0.00 H new ATOM 368 N GLU A 23 -4.878 -2.850 6.754 1.00 0.00 N ATOM 369 CA GLU A 23 -3.795 -3.350 7.651 1.00 0.00 C ATOM 370 C GLU A 23 -2.727 -4.080 6.831 1.00 0.00 C ATOM 371 O GLU A 23 -1.554 -4.042 7.148 1.00 0.00 O ATOM 372 CB GLU A 23 -4.489 -4.318 8.610 1.00 0.00 C ATOM 373 CG GLU A 23 -3.513 -4.732 9.714 1.00 0.00 C ATOM 374 CD GLU A 23 -3.828 -6.160 10.163 1.00 0.00 C ATOM 375 OE1 GLU A 23 -4.196 -6.959 9.318 1.00 0.00 O ATOM 376 OE2 GLU A 23 -3.696 -6.431 11.345 1.00 0.00 O ATOM 0 H GLU A 23 -5.731 -3.409 6.752 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.292 -2.542 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.369 -3.846 9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.835 -5.198 8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.488 -4.672 9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.591 -4.048 10.559 1.00 0.00 H new ATOM 383 N SER A 24 -3.126 -4.746 5.780 1.00 0.00 N ATOM 384 CA SER A 24 -2.136 -5.479 4.938 1.00 0.00 C ATOM 385 C SER A 24 -1.258 -4.487 4.171 1.00 0.00 C ATOM 386 O SER A 24 -0.049 -4.615 4.132 1.00 0.00 O ATOM 387 CB SER A 24 -2.975 -6.311 3.969 1.00 0.00 C ATOM 388 OG SER A 24 -3.550 -5.455 2.991 1.00 0.00 O ATOM 0 H SER A 24 -4.095 -4.814 5.468 1.00 0.00 H new ATOM 0 HA SER A 24 -1.468 -6.101 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.353 -7.066 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.758 -6.841 4.511 1.00 0.00 H new ATOM 0 HG SER A 24 -4.117 -4.789 3.432 1.00 0.00 H new ATOM 394 N GLU A 25 -1.858 -3.498 3.565 1.00 0.00 N ATOM 395 CA GLU A 25 -1.059 -2.494 2.802 1.00 0.00 C ATOM 396 C GLU A 25 -0.176 -1.688 3.759 1.00 0.00 C ATOM 397 O GLU A 25 0.975 -1.417 3.476 1.00 0.00 O ATOM 398 CB GLU A 25 -2.092 -1.585 2.134 1.00 0.00 C ATOM 399 CG GLU A 25 -2.292 -2.021 0.680 1.00 0.00 C ATOM 400 CD GLU A 25 -3.657 -1.540 0.186 1.00 0.00 C ATOM 401 OE1 GLU A 25 -4.654 -2.037 0.686 1.00 0.00 O ATOM 402 OE2 GLU A 25 -3.683 -0.685 -0.683 1.00 0.00 O ATOM 0 H GLU A 25 -2.866 -3.341 3.565 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.398 -2.961 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.038 -1.634 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.758 -0.548 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.501 -1.609 0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.227 -3.106 0.602 1.00 0.00 H new ATOM 409 N SER A 26 -0.706 -1.307 4.890 1.00 0.00 N ATOM 410 CA SER A 26 0.102 -0.520 5.867 1.00 0.00 C ATOM 411 C SER A 26 1.286 -1.357 6.363 1.00 0.00 C ATOM 412 O SER A 26 2.390 -0.866 6.501 1.00 0.00 O ATOM 413 CB SER A 26 -0.854 -0.210 7.019 1.00 0.00 C ATOM 414 OG SER A 26 -0.105 0.198 8.155 1.00 0.00 O ATOM 0 H SER A 26 -1.663 -1.506 5.180 1.00 0.00 H new ATOM 0 HA SER A 26 0.513 0.388 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.550 0.576 6.727 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.450 -1.091 7.259 1.00 0.00 H new ATOM 0 HG SER A 26 -0.716 0.399 8.895 1.00 0.00 H new ATOM 420 N GLN A 27 1.063 -2.616 6.629 1.00 0.00 N ATOM 421 CA GLN A 27 2.174 -3.487 7.113 1.00 0.00 C ATOM 422 C GLN A 27 3.157 -3.769 5.973 1.00 0.00 C ATOM 423 O GLN A 27 4.355 -3.816 6.172 1.00 0.00 O ATOM 424 CB GLN A 27 1.497 -4.780 7.568 1.00 0.00 C ATOM 425 CG GLN A 27 1.132 -4.672 9.049 1.00 0.00 C ATOM 426 CD GLN A 27 0.891 -6.070 9.622 1.00 0.00 C ATOM 427 OE1 GLN A 27 -0.182 -6.364 10.109 1.00 0.00 O ATOM 428 NE2 GLN A 27 1.853 -6.953 9.583 1.00 0.00 N ATOM 0 H GLN A 27 0.160 -3.079 6.532 1.00 0.00 H new ATOM 0 HA GLN A 27 2.743 -3.021 7.918 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.601 -4.962 6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.163 -5.628 7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.934 -4.177 9.596 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.239 -4.060 9.170 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.755 -6.707 9.174 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.702 -7.888 9.961 1.00 0.00 H new ATOM 437 N ARG A 28 2.657 -3.954 4.780 1.00 0.00 N ATOM 438 CA ARG A 28 3.561 -4.230 3.624 1.00 0.00 C ATOM 439 C ARG A 28 4.438 -3.009 3.338 1.00 0.00 C ATOM 440 O ARG A 28 5.621 -3.130 3.084 1.00 0.00 O ATOM 441 CB ARG A 28 2.627 -4.507 2.445 1.00 0.00 C ATOM 442 CG ARG A 28 3.442 -5.031 1.261 1.00 0.00 C ATOM 443 CD ARG A 28 2.762 -4.624 -0.050 1.00 0.00 C ATOM 444 NE ARG A 28 3.667 -3.605 -0.654 1.00 0.00 N ATOM 445 CZ ARG A 28 4.284 -3.862 -1.775 1.00 0.00 C ATOM 446 NH1 ARG A 28 3.601 -4.226 -2.827 1.00 0.00 N ATOM 447 NH2 ARG A 28 5.583 -3.756 -1.844 1.00 0.00 N ATOM 0 H ARG A 28 1.662 -3.926 4.556 1.00 0.00 H new ATOM 0 HA ARG A 28 4.232 -5.067 3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.870 -5.237 2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.100 -3.596 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.455 -4.629 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.527 -6.116 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.635 -5.481 -0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.769 -4.212 0.132 1.00 0.00 H new ATOM 0 HE ARG A 28 3.804 -2.707 -0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.586 -4.309 -2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.083 -4.427 -3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.116 -3.472 -1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.065 -3.957 -2.720 1.00 0.00 H new ATOM 461 N LYS A 29 3.867 -1.835 3.380 1.00 0.00 N ATOM 462 CA LYS A 29 4.667 -0.604 3.113 1.00 0.00 C ATOM 463 C LYS A 29 5.710 -0.406 4.216 1.00 0.00 C ATOM 464 O LYS A 29 6.843 -0.055 3.955 1.00 0.00 O ATOM 465 CB LYS A 29 3.653 0.542 3.120 1.00 0.00 C ATOM 466 CG LYS A 29 3.930 1.479 1.941 1.00 0.00 C ATOM 467 CD LYS A 29 5.254 2.210 2.171 1.00 0.00 C ATOM 468 CE LYS A 29 5.015 3.434 3.058 1.00 0.00 C ATOM 469 NZ LYS A 29 4.614 4.517 2.119 1.00 0.00 N ATOM 0 H LYS A 29 2.881 -1.675 3.588 1.00 0.00 H new ATOM 0 HA LYS A 29 5.208 -0.660 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.640 0.145 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.718 1.093 4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.973 0.910 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.118 2.199 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.974 1.541 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.682 2.517 1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.235 3.241 3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.915 3.703 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.102 5.257 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.463 4.928 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.997 4.124 1.379 1.00 0.00 H new ATOM 483 N ALA A 30 5.334 -0.632 5.447 1.00 0.00 N ATOM 484 CA ALA A 30 6.303 -0.461 6.569 1.00 0.00 C ATOM 485 C ALA A 30 7.360 -1.567 6.523 1.00 0.00 C ATOM 486 O ALA A 30 8.534 -1.325 6.725 1.00 0.00 O ATOM 487 CB ALA A 30 5.463 -0.575 7.842 1.00 0.00 C ATOM 0 H ALA A 30 4.398 -0.928 5.724 1.00 0.00 H new ATOM 0 HA ALA A 30 6.833 0.490 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.107 -0.460 8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.702 0.205 7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.981 -1.552 7.874 1.00 0.00 H new ATOM 493 N ARG A 31 6.950 -2.778 6.257 1.00 0.00 N ATOM 494 CA ARG A 31 7.930 -3.904 6.194 1.00 0.00 C ATOM 495 C ARG A 31 8.926 -3.670 5.056 1.00 0.00 C ATOM 496 O ARG A 31 10.104 -3.940 5.184 1.00 0.00 O ATOM 497 CB ARG A 31 7.087 -5.150 5.924 1.00 0.00 C ATOM 498 CG ARG A 31 7.955 -6.399 6.082 1.00 0.00 C ATOM 499 CD ARG A 31 8.577 -6.766 4.732 1.00 0.00 C ATOM 500 NE ARG A 31 8.403 -8.240 4.614 1.00 0.00 N ATOM 501 CZ ARG A 31 7.498 -8.729 3.812 1.00 0.00 C ATOM 502 NH1 ARG A 31 7.591 -8.531 2.525 1.00 0.00 N ATOM 503 NH2 ARG A 31 6.498 -9.415 4.296 1.00 0.00 N ATOM 0 H ARG A 31 5.980 -3.038 6.080 1.00 0.00 H new ATOM 0 HA ARG A 31 8.511 -3.999 7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.246 -5.189 6.616 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.671 -5.109 4.918 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.739 -6.219 6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.353 -7.228 6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.081 -6.244 3.914 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.631 -6.489 4.695 1.00 0.00 H new ATOM 0 HE ARG A 31 8.992 -8.868 5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.371 -7.994 2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.883 -8.913 1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.424 -9.569 5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.791 -9.797 3.668 1.00 0.00 H new ATOM 517 N SER A 32 8.460 -3.169 3.943 1.00 0.00 N ATOM 518 CA SER A 32 9.378 -2.916 2.794 1.00 0.00 C ATOM 519 C SER A 32 10.337 -1.770 3.126 1.00 0.00 C ATOM 520 O SER A 32 11.489 -1.779 2.737 1.00 0.00 O ATOM 521 CB SER A 32 8.465 -2.531 1.630 1.00 0.00 C ATOM 522 OG SER A 32 9.147 -2.753 0.404 1.00 0.00 O ATOM 0 H SER A 32 7.483 -2.924 3.780 1.00 0.00 H new ATOM 0 HA SER A 32 9.991 -3.786 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.549 -3.120 1.661 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.173 -1.484 1.713 1.00 0.00 H new ATOM 0 HG SER A 32 8.563 -2.509 -0.344 1.00 0.00 H new ATOM 528 N ARG A 33 9.868 -0.782 3.842 1.00 0.00 N ATOM 529 CA ARG A 33 10.752 0.367 4.201 1.00 0.00 C ATOM 530 C ARG A 33 11.914 -0.115 5.075 1.00 0.00 C ATOM 531 O ARG A 33 13.057 0.232 4.850 1.00 0.00 O ATOM 532 CB ARG A 33 9.857 1.330 4.982 1.00 0.00 C ATOM 533 CG ARG A 33 10.289 2.773 4.703 1.00 0.00 C ATOM 534 CD ARG A 33 10.415 3.537 6.024 1.00 0.00 C ATOM 535 NE ARG A 33 9.076 4.148 6.245 1.00 0.00 N ATOM 536 CZ ARG A 33 8.461 3.978 7.385 1.00 0.00 C ATOM 537 NH1 ARG A 33 7.852 2.853 7.636 1.00 0.00 N ATOM 538 NH2 ARG A 33 8.459 4.935 8.272 1.00 0.00 N ATOM 0 H ARG A 33 8.912 -0.721 4.193 1.00 0.00 H new ATOM 0 HA ARG A 33 11.189 0.842 3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.815 1.189 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.923 1.120 6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.242 2.782 4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.561 3.263 4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.684 2.869 6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.192 4.299 5.967 1.00 0.00 H new ATOM 0 HE ARG A 33 8.639 4.699 5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.856 2.105 6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.372 2.721 8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.937 5.814 8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.979 4.804 9.163 1.00 0.00 H new ATOM 552 N GLN A 34 11.628 -0.912 6.070 1.00 0.00 N ATOM 553 CA GLN A 34 12.716 -1.418 6.959 1.00 0.00 C ATOM 554 C GLN A 34 13.700 -2.272 6.155 1.00 0.00 C ATOM 555 O GLN A 34 14.897 -2.218 6.364 1.00 0.00 O ATOM 556 CB GLN A 34 12.007 -2.268 8.014 1.00 0.00 C ATOM 557 CG GLN A 34 11.830 -1.451 9.297 1.00 0.00 C ATOM 558 CD GLN A 34 10.424 -0.849 9.331 1.00 0.00 C ATOM 559 OE1 GLN A 34 10.238 0.305 9.002 1.00 0.00 O ATOM 560 NE2 GLN A 34 9.421 -1.589 9.716 1.00 0.00 N ATOM 0 H GLN A 34 10.690 -1.235 6.306 1.00 0.00 H new ATOM 0 HA GLN A 34 13.290 -0.608 7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.036 -2.593 7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.587 -3.168 8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.986 -2.086 10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.577 -0.659 9.342 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.579 -2.558 9.992 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.479 -1.198 9.741 1.00 0.00 H new ATOM 569 N ALA A 35 13.204 -3.056 5.235 1.00 0.00 N ATOM 570 CA ALA A 35 14.111 -3.914 4.417 1.00 0.00 C ATOM 571 C ALA A 35 15.045 -3.040 3.576 1.00 0.00 C ATOM 572 O ALA A 35 16.243 -3.245 3.547 1.00 0.00 O ATOM 573 CB ALA A 35 13.183 -4.728 3.515 1.00 0.00 C ATOM 0 H ALA A 35 12.212 -3.140 5.015 1.00 0.00 H new ATOM 0 HA ALA A 35 14.742 -4.554 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.777 -5.386 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.511 -5.327 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.598 -4.053 2.890 1.00 0.00 H new ATOM 579 N ARG A 36 14.506 -2.067 2.892 1.00 0.00 N ATOM 580 CA ARG A 36 15.361 -1.177 2.052 1.00 0.00 C ATOM 581 C ARG A 36 16.267 -0.324 2.944 1.00 0.00 C ATOM 582 O ARG A 36 17.443 -0.166 2.680 1.00 0.00 O ATOM 583 CB ARG A 36 14.381 -0.292 1.281 1.00 0.00 C ATOM 584 CG ARG A 36 15.065 0.253 0.025 1.00 0.00 C ATOM 585 CD ARG A 36 14.187 1.337 -0.606 1.00 0.00 C ATOM 586 NE ARG A 36 14.780 2.625 -0.149 1.00 0.00 N ATOM 587 CZ ARG A 36 15.405 3.394 -0.998 1.00 0.00 C ATOM 588 NH1 ARG A 36 14.728 4.185 -1.784 1.00 0.00 N ATOM 589 NH2 ARG A 36 16.708 3.371 -1.061 1.00 0.00 N ATOM 0 H ARG A 36 13.510 -1.849 2.878 1.00 0.00 H new ATOM 0 HA ARG A 36 16.011 -1.741 1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.496 -0.865 1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.045 0.531 1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.042 0.664 0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.235 -0.553 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.190 1.264 -1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.150 1.243 -0.283 1.00 0.00 H new ATOM 0 HE ARG A 36 14.697 2.906 0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.709 4.203 -1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.217 4.786 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.237 2.752 -0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.197 3.972 -1.724 1.00 0.00 H new ATOM 603 N GLN A 37 15.728 0.224 4.001 1.00 0.00 N ATOM 604 CA GLN A 37 16.557 1.066 4.913 1.00 0.00 C ATOM 605 C GLN A 37 17.651 0.217 5.563 1.00 0.00 C ATOM 606 O GLN A 37 18.764 0.665 5.759 1.00 0.00 O ATOM 607 CB GLN A 37 15.583 1.588 5.970 1.00 0.00 C ATOM 608 CG GLN A 37 16.194 2.799 6.676 1.00 0.00 C ATOM 609 CD GLN A 37 15.083 3.768 7.084 1.00 0.00 C ATOM 610 OE1 GLN A 37 13.964 3.361 7.327 1.00 0.00 O ATOM 611 NE2 GLN A 37 15.345 5.044 7.169 1.00 0.00 N ATOM 0 H GLN A 37 14.750 0.125 4.272 1.00 0.00 H new ATOM 0 HA GLN A 37 17.056 1.879 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.638 1.865 5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.363 0.804 6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.751 2.477 7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.902 3.299 6.015 1.00 0.00 H new ATOM 0 HE21 GLN A 37 16.284 5.387 6.965 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.611 5.698 7.439 1.00 0.00 H new ATOM 620 N SER A 38 17.341 -1.007 5.899 1.00 0.00 N ATOM 621 CA SER A 38 18.362 -1.889 6.539 1.00 0.00 C ATOM 622 C SER A 38 19.540 -2.107 5.586 1.00 0.00 C ATOM 623 O SER A 38 20.689 -1.990 5.968 1.00 0.00 O ATOM 624 CB SER A 38 17.639 -3.208 6.806 1.00 0.00 C ATOM 625 OG SER A 38 18.593 -4.209 7.139 1.00 0.00 O ATOM 0 H SER A 38 16.426 -1.435 5.758 1.00 0.00 H new ATOM 0 HA SER A 38 18.766 -1.456 7.454 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.924 -3.086 7.620 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.071 -3.509 5.926 1.00 0.00 H new ATOM 0 HG SER A 38 18.132 -5.056 7.312 1.00 0.00 H new ATOM 631 N ARG A 39 19.264 -2.422 4.348 1.00 0.00 N ATOM 632 CA ARG A 39 20.368 -2.646 3.369 1.00 0.00 C ATOM 633 C ARG A 39 21.182 -1.361 3.189 1.00 0.00 C ATOM 634 O ARG A 39 22.388 -1.397 3.034 1.00 0.00 O ATOM 635 CB ARG A 39 19.670 -3.026 2.062 1.00 0.00 C ATOM 636 CG ARG A 39 19.038 -4.411 2.203 1.00 0.00 C ATOM 637 CD ARG A 39 20.083 -5.484 1.886 1.00 0.00 C ATOM 638 NE ARG A 39 19.329 -6.556 1.179 1.00 0.00 N ATOM 639 CZ ARG A 39 19.612 -7.811 1.405 1.00 0.00 C ATOM 640 NH1 ARG A 39 20.699 -8.334 0.910 1.00 0.00 N ATOM 641 NH2 ARG A 39 18.806 -8.540 2.128 1.00 0.00 N ATOM 0 H ARG A 39 18.322 -2.534 3.973 1.00 0.00 H new ATOM 0 HA ARG A 39 21.062 -3.419 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 39 18.905 -2.289 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 39 20.387 -3.024 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 39 18.657 -4.547 3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 39 18.188 -4.505 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 39 20.882 -5.085 1.261 1.00 0.00 H new ATOM 0 HD3 ARG A 39 20.549 -5.863 2.796 1.00 0.00 H new ATOM 0 HE ARG A 39 18.592 -6.310 0.518 1.00 0.00 H new ATOM 0 HH11 ARG A 39 21.329 -7.763 0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.920 -9.314 1.087 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.956 -8.130 2.516 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.026 -9.520 2.305 1.00 0.00 H new ATOM 655 N ARG A 40 20.532 -0.229 3.211 1.00 0.00 N ATOM 656 CA ARG A 40 21.266 1.060 3.042 1.00 0.00 C ATOM 657 C ARG A 40 22.054 1.388 4.313 1.00 0.00 C ATOM 658 O ARG A 40 23.219 1.730 4.262 1.00 0.00 O ATOM 659 CB ARG A 40 20.179 2.109 2.795 1.00 0.00 C ATOM 660 CG ARG A 40 20.567 2.978 1.596 1.00 0.00 C ATOM 661 CD ARG A 40 21.731 3.893 1.984 1.00 0.00 C ATOM 662 NE ARG A 40 21.090 5.100 2.577 1.00 0.00 N ATOM 663 CZ ARG A 40 21.508 6.290 2.245 1.00 0.00 C ATOM 664 NH1 ARG A 40 22.784 6.563 2.267 1.00 0.00 N ATOM 665 NH2 ARG A 40 20.650 7.207 1.890 1.00 0.00 N ATOM 0 H ARG A 40 19.524 -0.140 3.339 1.00 0.00 H new ATOM 0 HA ARG A 40 21.985 1.022 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 40 19.223 1.620 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 40 20.051 2.731 3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 40 20.851 2.348 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 40 19.713 3.574 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 40 22.394 3.406 2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 40 22.335 4.153 1.115 1.00 0.00 H new ATOM 0 HE ARG A 40 20.324 4.996 3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 40 23.454 5.846 2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 40 23.111 7.494 2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 40 19.653 6.993 1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.977 8.138 1.630 1.00 0.00 H new ATOM 679 N SER A 41 21.426 1.287 5.454 1.00 0.00 N ATOM 680 CA SER A 41 22.137 1.593 6.731 1.00 0.00 C ATOM 681 C SER A 41 23.250 0.571 6.973 1.00 0.00 C ATOM 682 O SER A 41 24.408 0.916 7.093 1.00 0.00 O ATOM 683 CB SER A 41 21.069 1.481 7.816 1.00 0.00 C ATOM 684 OG SER A 41 20.621 2.782 8.171 1.00 0.00 O ATOM 0 H SER A 41 20.451 1.006 5.558 1.00 0.00 H new ATOM 0 HA SER A 41 22.604 2.578 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 41 20.232 0.881 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 41 21.475 0.973 8.691 1.00 0.00 H new ATOM 0 HG SER A 41 19.934 2.713 8.866 1.00 0.00 H new ATOM 690 N THR A 42 22.906 -0.690 7.034 1.00 0.00 N ATOM 691 CA THR A 42 23.944 -1.741 7.259 1.00 0.00 C ATOM 692 C THR A 42 25.031 -1.631 6.187 1.00 0.00 C ATOM 693 O THR A 42 26.173 -1.984 6.405 1.00 0.00 O ATOM 694 CB THR A 42 23.197 -3.071 7.136 1.00 0.00 C ATOM 695 OG1 THR A 42 21.975 -2.994 7.858 1.00 0.00 O ATOM 696 CG2 THR A 42 24.057 -4.201 7.706 1.00 0.00 C ATOM 0 H THR A 42 21.952 -1.037 6.938 1.00 0.00 H new ATOM 0 HA THR A 42 24.435 -1.643 8.227 1.00 0.00 H new ATOM 0 HB THR A 42 22.989 -3.273 6.085 1.00 0.00 H new ATOM 0 HG1 THR A 42 21.224 -2.966 7.229 1.00 0.00 H new ATOM 0 HG21 THR A 42 23.522 -5.146 7.617 1.00 0.00 H new ATOM 0 HG22 THR A 42 24.994 -4.261 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 42 24.269 -4.002 8.756 1.00 0.00 H new ATOM 704 N GLN A 43 24.675 -1.136 5.029 1.00 0.00 N ATOM 705 CA GLN A 43 25.666 -0.984 3.919 1.00 0.00 C ATOM 706 C GLN A 43 26.182 -2.351 3.448 1.00 0.00 C ATOM 707 O GLN A 43 27.129 -2.433 2.691 1.00 0.00 O ATOM 708 CB GLN A 43 26.812 -0.152 4.504 1.00 0.00 C ATOM 709 CG GLN A 43 27.477 0.656 3.388 1.00 0.00 C ATOM 710 CD GLN A 43 28.226 1.843 3.993 1.00 0.00 C ATOM 711 OE1 GLN A 43 27.684 2.926 4.105 1.00 0.00 O ATOM 712 NE2 GLN A 43 29.459 1.687 4.391 1.00 0.00 N ATOM 0 H GLN A 43 23.730 -0.827 4.802 1.00 0.00 H new ATOM 0 HA GLN A 43 25.217 -0.506 3.049 1.00 0.00 H new ATOM 0 HB2 GLN A 43 26.432 0.518 5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 43 27.543 -0.805 4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 43 28.167 0.024 2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 43 26.725 1.009 2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 43 29.914 0.779 4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 43 29.968 2.473 4.796 1.00 0.00 H new ATOM 721 N GLY A 44 25.567 -3.422 3.879 1.00 0.00 N ATOM 722 CA GLY A 44 26.026 -4.773 3.443 1.00 0.00 C ATOM 723 C GLY A 44 27.074 -5.312 4.420 1.00 0.00 C ATOM 724 O GLY A 44 27.038 -6.465 4.800 1.00 0.00 O ATOM 0 H GLY A 44 24.768 -3.419 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 44 25.178 -5.456 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 44 26.448 -4.716 2.440 1.00 0.00 H new ATOM 728 N VAL A 45 28.013 -4.485 4.819 1.00 0.00 N ATOM 729 CA VAL A 45 29.088 -4.928 5.775 1.00 0.00 C ATOM 730 C VAL A 45 30.050 -5.925 5.109 1.00 0.00 C ATOM 731 O VAL A 45 31.085 -6.251 5.656 1.00 0.00 O ATOM 732 CB VAL A 45 28.368 -5.597 6.952 1.00 0.00 C ATOM 733 CG1 VAL A 45 29.357 -5.808 8.101 1.00 0.00 C ATOM 734 CG2 VAL A 45 27.219 -4.704 7.431 1.00 0.00 C ATOM 0 H VAL A 45 28.084 -3.512 4.522 1.00 0.00 H new ATOM 0 HA VAL A 45 29.688 -4.078 6.099 1.00 0.00 H new ATOM 0 HB VAL A 45 27.969 -6.559 6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 45 28.846 -6.284 8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 45 30.174 -6.446 7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 45 29.756 -4.845 8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 45 26.710 -5.183 8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 45 27.616 -3.741 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 45 26.512 -4.552 6.615 1.00 0.00 H new ATOM 744 N THR A 46 29.724 -6.411 3.938 1.00 0.00 N ATOM 745 CA THR A 46 30.623 -7.386 3.247 1.00 0.00 C ATOM 746 C THR A 46 30.844 -8.619 4.126 1.00 0.00 C ATOM 747 O THR A 46 31.873 -9.266 4.060 1.00 0.00 O ATOM 748 CB THR A 46 31.942 -6.639 3.026 1.00 0.00 C ATOM 749 OG1 THR A 46 31.666 -5.326 2.556 1.00 0.00 O ATOM 750 CG2 THR A 46 32.787 -7.385 1.992 1.00 0.00 C ATOM 0 H THR A 46 28.872 -6.174 3.429 1.00 0.00 H new ATOM 0 HA THR A 46 30.197 -7.738 2.307 1.00 0.00 H new ATOM 0 HB THR A 46 32.490 -6.583 3.966 1.00 0.00 H new ATOM 0 HG1 THR A 46 32.508 -4.845 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 46 33.725 -6.852 1.836 1.00 0.00 H new ATOM 0 HG22 THR A 46 32.997 -8.392 2.352 1.00 0.00 H new ATOM 0 HG23 THR A 46 32.242 -7.443 1.050 1.00 0.00 H new ATOM 758 N LEU A 47 29.885 -8.952 4.947 1.00 0.00 N ATOM 759 CA LEU A 47 30.033 -10.144 5.831 1.00 0.00 C ATOM 760 C LEU A 47 28.820 -11.067 5.675 1.00 0.00 C ATOM 761 O LEU A 47 28.949 -12.274 5.626 1.00 0.00 O ATOM 762 CB LEU A 47 30.103 -9.582 7.253 1.00 0.00 C ATOM 763 CG LEU A 47 31.505 -9.803 7.824 1.00 0.00 C ATOM 764 CD1 LEU A 47 32.492 -8.856 7.139 1.00 0.00 C ATOM 765 CD2 LEU A 47 31.491 -9.524 9.329 1.00 0.00 C ATOM 0 H LEU A 47 29.003 -8.449 5.044 1.00 0.00 H new ATOM 0 HA LEU A 47 30.916 -10.734 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.866 -8.518 7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 47 29.361 -10.070 7.885 1.00 0.00 H new ATOM 0 HG LEU A 47 31.811 -10.834 7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 47 33.491 -9.014 7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 47 32.502 -9.054 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 47 32.188 -7.824 7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 47 32.489 -9.681 9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 47 31.185 -8.493 9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.789 -10.199 9.818 1.00 0.00 H new ATOM 777 N THR A 48 27.643 -10.505 5.597 1.00 0.00 N ATOM 778 CA THR A 48 26.420 -11.347 5.444 1.00 0.00 C ATOM 779 C THR A 48 26.369 -11.949 4.037 1.00 0.00 C ATOM 780 O THR A 48 26.057 -13.111 3.860 1.00 0.00 O ATOM 781 CB THR A 48 25.246 -10.390 5.661 1.00 0.00 C ATOM 782 OG1 THR A 48 25.417 -9.707 6.896 1.00 0.00 O ATOM 783 CG2 THR A 48 23.938 -11.181 5.690 1.00 0.00 C ATOM 0 H THR A 48 27.475 -9.500 5.633 1.00 0.00 H new ATOM 0 HA THR A 48 26.400 -12.179 6.148 1.00 0.00 H new ATOM 0 HB THR A 48 25.211 -9.667 4.846 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.667 -9.092 7.036 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.103 -10.498 5.845 1.00 0.00 H new ATOM 0 HG22 THR A 48 23.808 -11.704 4.743 1.00 0.00 H new ATOM 0 HG23 THR A 48 23.969 -11.906 6.503 1.00 0.00 H new ATOM 791 N ASP A 49 26.671 -11.166 3.036 1.00 0.00 N ATOM 792 CA ASP A 49 26.641 -11.692 1.640 1.00 0.00 C ATOM 793 C ASP A 49 27.818 -12.642 1.408 1.00 0.00 C ATOM 794 O ASP A 49 27.705 -13.629 0.706 1.00 0.00 O ATOM 795 CB ASP A 49 26.764 -10.459 0.745 1.00 0.00 C ATOM 796 CG ASP A 49 26.550 -10.862 -0.715 1.00 0.00 C ATOM 797 OD1 ASP A 49 27.449 -11.462 -1.281 1.00 0.00 O ATOM 798 OD2 ASP A 49 25.490 -10.565 -1.242 1.00 0.00 O ATOM 0 H ASP A 49 26.937 -10.185 3.124 1.00 0.00 H new ATOM 0 HA ASP A 49 25.731 -12.255 1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 49 26.028 -9.710 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 49 27.747 -10.005 0.867 1.00 0.00 H new ATOM 803 N LEU A 50 28.950 -12.352 1.995 1.00 0.00 N ATOM 804 CA LEU A 50 30.137 -13.238 1.811 1.00 0.00 C ATOM 805 C LEU A 50 29.849 -14.630 2.379 1.00 0.00 C ATOM 806 O LEU A 50 30.316 -15.628 1.866 1.00 0.00 O ATOM 807 CB LEU A 50 31.265 -12.562 2.593 1.00 0.00 C ATOM 808 CG LEU A 50 32.611 -13.137 2.150 1.00 0.00 C ATOM 809 CD1 LEU A 50 33.657 -12.021 2.112 1.00 0.00 C ATOM 810 CD2 LEU A 50 33.056 -14.216 3.141 1.00 0.00 C ATOM 0 H LEU A 50 29.103 -11.540 2.593 1.00 0.00 H new ATOM 0 HA LEU A 50 30.394 -13.370 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 50 31.244 -11.485 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 50 31.125 -12.719 3.662 1.00 0.00 H new ATOM 0 HG LEU A 50 32.508 -13.573 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 50 34.616 -12.432 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 50 33.342 -11.251 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 50 33.759 -11.584 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 50 34.015 -14.626 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 50 33.157 -13.778 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 50 32.313 -15.013 3.170 1.00 0.00 H new ATOM 822 N GLN A 51 29.082 -14.702 3.433 1.00 0.00 N ATOM 823 CA GLN A 51 28.761 -16.030 4.036 1.00 0.00 C ATOM 824 C GLN A 51 27.917 -16.859 3.063 1.00 0.00 C ATOM 825 O GLN A 51 28.092 -18.055 2.941 1.00 0.00 O ATOM 826 CB GLN A 51 27.963 -15.712 5.301 1.00 0.00 C ATOM 827 CG GLN A 51 28.015 -16.908 6.252 1.00 0.00 C ATOM 828 CD GLN A 51 27.892 -16.419 7.697 1.00 0.00 C ATOM 829 OE1 GLN A 51 26.924 -15.776 8.052 1.00 0.00 O ATOM 830 NE2 GLN A 51 28.838 -16.697 8.550 1.00 0.00 N ATOM 0 H GLN A 51 28.663 -13.900 3.903 1.00 0.00 H new ATOM 0 HA GLN A 51 29.657 -16.610 4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 51 28.373 -14.828 5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 51 26.929 -15.484 5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 51 27.208 -17.604 6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 51 28.951 -17.451 6.119 1.00 0.00 H new ATOM 0 HE21 GLN A 51 29.651 -17.237 8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.765 -16.375 9.515 1.00 0.00 H new ATOM 839 N GLU A 52 27.004 -16.230 2.372 1.00 0.00 N ATOM 840 CA GLU A 52 26.148 -16.982 1.406 1.00 0.00 C ATOM 841 C GLU A 52 26.990 -17.471 0.225 1.00 0.00 C ATOM 842 O GLU A 52 26.761 -18.536 -0.314 1.00 0.00 O ATOM 843 CB GLU A 52 25.099 -15.973 0.935 1.00 0.00 C ATOM 844 CG GLU A 52 23.755 -16.681 0.753 1.00 0.00 C ATOM 845 CD GLU A 52 23.183 -17.048 2.122 1.00 0.00 C ATOM 846 OE1 GLU A 52 23.064 -16.162 2.951 1.00 0.00 O ATOM 847 OE2 GLU A 52 22.872 -18.212 2.319 1.00 0.00 O ATOM 0 H GLU A 52 26.813 -15.230 2.434 1.00 0.00 H new ATOM 0 HA GLU A 52 25.691 -17.863 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.002 -15.167 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 52 25.413 -15.518 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 52 23.060 -16.033 0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.884 -17.579 0.148 1.00 0.00 H new ATOM 854 N ALA A 53 27.965 -16.701 -0.180 1.00 0.00 N ATOM 855 CA ALA A 53 28.825 -17.120 -1.325 1.00 0.00 C ATOM 856 C ALA A 53 29.605 -18.387 -0.961 1.00 0.00 C ATOM 857 O ALA A 53 29.702 -19.313 -1.743 1.00 0.00 O ATOM 858 CB ALA A 53 29.781 -15.950 -1.557 1.00 0.00 C ATOM 0 H ALA A 53 28.203 -15.799 0.233 1.00 0.00 H new ATOM 0 HA ALA A 53 28.242 -17.349 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.448 -16.184 -2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 53 29.208 -15.053 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 53 30.370 -15.777 -0.656 1.00 0.00 H new ATOM 864 N GLU A 54 30.162 -18.432 0.220 1.00 0.00 N ATOM 865 CA GLU A 54 30.937 -19.638 0.637 1.00 0.00 C ATOM 866 C GLU A 54 30.001 -20.842 0.783 1.00 0.00 C ATOM 867 O GLU A 54 30.381 -21.968 0.528 1.00 0.00 O ATOM 868 CB GLU A 54 31.550 -19.269 1.988 1.00 0.00 C ATOM 869 CG GLU A 54 32.863 -20.032 2.178 1.00 0.00 C ATOM 870 CD GLU A 54 33.821 -19.197 3.029 1.00 0.00 C ATOM 871 OE1 GLU A 54 33.373 -18.639 4.017 1.00 0.00 O ATOM 872 OE2 GLU A 54 34.987 -19.130 2.679 1.00 0.00 O ATOM 0 H GLU A 54 30.114 -17.686 0.914 1.00 0.00 H new ATOM 0 HA GLU A 54 31.698 -19.913 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 54 31.731 -18.195 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 54 30.856 -19.512 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.672 -20.990 2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 54 33.314 -20.247 1.209 1.00 0.00 H new ATOM 879 N LYS A 55 28.782 -20.610 1.191 1.00 0.00 N ATOM 880 CA LYS A 55 27.820 -21.739 1.355 1.00 0.00 C ATOM 881 C LYS A 55 27.430 -22.305 -0.013 1.00 0.00 C ATOM 882 O LYS A 55 27.193 -23.488 -0.161 1.00 0.00 O ATOM 883 CB LYS A 55 26.601 -21.126 2.046 1.00 0.00 C ATOM 884 CG LYS A 55 25.761 -22.236 2.682 1.00 0.00 C ATOM 885 CD LYS A 55 26.159 -22.400 4.151 1.00 0.00 C ATOM 886 CE LYS A 55 25.751 -23.793 4.638 1.00 0.00 C ATOM 887 NZ LYS A 55 26.811 -24.187 5.606 1.00 0.00 N ATOM 0 H LYS A 55 28.411 -19.688 1.418 1.00 0.00 H new ATOM 0 HA LYS A 55 28.245 -22.561 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 55 26.921 -20.416 2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 55 26.002 -20.571 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 55 24.701 -21.993 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 55 25.912 -23.173 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 55 27.234 -22.264 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 55 25.675 -21.635 4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 55 24.770 -23.774 5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 55 25.690 -24.499 3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 26.601 -25.133 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 27.733 -24.203 5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 26.841 -23.501 6.387 1.00 0.00 H new ATOM 901 N THR A 56 27.365 -21.468 -1.014 1.00 0.00 N ATOM 902 CA THR A 56 26.990 -21.954 -2.376 1.00 0.00 C ATOM 903 C THR A 56 27.997 -23.003 -2.859 1.00 0.00 C ATOM 904 O THR A 56 27.659 -23.906 -3.598 1.00 0.00 O ATOM 905 CB THR A 56 27.036 -20.714 -3.271 1.00 0.00 C ATOM 906 OG1 THR A 56 26.490 -19.606 -2.570 1.00 0.00 O ATOM 907 CG2 THR A 56 26.222 -20.968 -4.540 1.00 0.00 C ATOM 0 H THR A 56 27.555 -20.468 -0.948 1.00 0.00 H new ATOM 0 HA THR A 56 26.008 -22.426 -2.388 1.00 0.00 H new ATOM 0 HB THR A 56 28.070 -20.500 -3.542 1.00 0.00 H new ATOM 0 HG1 THR A 56 27.172 -19.224 -1.979 1.00 0.00 H new ATOM 0 HG21 THR A 56 26.255 -20.084 -5.177 1.00 0.00 H new ATOM 0 HG22 THR A 56 26.642 -21.818 -5.077 1.00 0.00 H new ATOM 0 HG23 THR A 56 25.188 -21.183 -4.272 1.00 0.00 H new ATOM 915 N ILE A 57 29.230 -22.888 -2.446 1.00 0.00 N ATOM 916 CA ILE A 57 30.260 -23.877 -2.880 1.00 0.00 C ATOM 917 C ILE A 57 31.049 -24.390 -1.670 1.00 0.00 C ATOM 918 O ILE A 57 32.245 -24.194 -1.567 1.00 0.00 O ATOM 919 CB ILE A 57 31.173 -23.111 -3.844 1.00 0.00 C ATOM 920 CG1 ILE A 57 32.224 -24.065 -4.415 1.00 0.00 C ATOM 921 CG2 ILE A 57 31.875 -21.967 -3.105 1.00 0.00 C ATOM 922 CD1 ILE A 57 31.734 -24.624 -5.751 1.00 0.00 C ATOM 0 H ILE A 57 29.569 -22.152 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 57 29.816 -24.751 -3.357 1.00 0.00 H new ATOM 0 HB ILE A 57 30.571 -22.698 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 57 33.170 -23.541 -4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 57 32.410 -24.879 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 57 32.521 -21.429 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 57 31.129 -21.284 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 57 32.475 -22.374 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 57 32.483 -25.304 -6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 57 30.799 -25.163 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 57 31.570 -23.804 -6.450 1.00 0.00 H new ATOM 934 N GLY A 58 30.387 -25.046 -0.755 1.00 0.00 N ATOM 935 CA GLY A 58 31.094 -25.572 0.449 1.00 0.00 C ATOM 936 C GLY A 58 30.605 -26.990 0.749 1.00 0.00 C ATOM 937 O GLY A 58 29.819 -27.555 0.014 1.00 0.00 O ATOM 0 H GLY A 58 29.386 -25.241 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 58 32.171 -25.576 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 58 30.909 -24.923 1.305 1.00 0.00 H new ATOM 941 N ARG A 59 31.065 -27.568 1.827 1.00 0.00 N ATOM 942 CA ARG A 59 30.628 -28.951 2.179 1.00 0.00 C ATOM 943 C ARG A 59 29.729 -28.924 3.418 1.00 0.00 C ATOM 944 O ARG A 59 29.663 -29.877 4.169 1.00 0.00 O ATOM 945 CB ARG A 59 31.921 -29.712 2.472 1.00 0.00 C ATOM 946 CG ARG A 59 31.708 -31.204 2.208 1.00 0.00 C ATOM 947 CD ARG A 59 31.529 -31.436 0.707 1.00 0.00 C ATOM 948 NE ARG A 59 31.744 -32.898 0.515 1.00 0.00 N ATOM 949 CZ ARG A 59 32.678 -33.318 -0.293 1.00 0.00 C ATOM 950 NH1 ARG A 59 33.912 -32.931 -0.123 1.00 0.00 N ATOM 951 NH2 ARG A 59 32.377 -34.126 -1.273 1.00 0.00 N ATOM 0 H ARG A 59 31.724 -27.142 2.479 1.00 0.00 H new ATOM 0 HA ARG A 59 30.052 -29.417 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 59 32.728 -29.333 1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 59 32.221 -29.555 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 59 32.561 -31.775 2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 59 30.830 -31.558 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 59 30.534 -31.137 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 59 32.246 -30.852 0.129 1.00 0.00 H new ATOM 0 HE ARG A 59 31.161 -33.570 1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 59 34.148 -32.299 0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 59 34.641 -33.260 -0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.412 -34.428 -1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 59 33.107 -34.455 -1.905 1.00 0.00 H new ATOM 965 N SER A 60 29.034 -27.836 3.635 1.00 0.00 N ATOM 966 CA SER A 60 28.135 -27.738 4.827 1.00 0.00 C ATOM 967 C SER A 60 28.901 -28.091 6.106 1.00 0.00 C ATOM 968 O SER A 60 28.256 -28.282 7.125 1.00 0.00 O ATOM 969 CB SER A 60 27.021 -28.753 4.570 1.00 0.00 C ATOM 970 OG SER A 60 26.089 -28.708 5.642 1.00 0.00 O ATOM 971 OXT SER A 60 30.117 -28.163 6.044 1.00 0.00 O ATOM 0 H SER A 60 29.050 -27.009 3.037 1.00 0.00 H new ATOM 0 HA SER A 60 27.744 -26.730 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 60 26.520 -28.530 3.628 1.00 0.00 H new ATOM 0 HB3 SER A 60 27.440 -29.755 4.479 1.00 0.00 H new ATOM 0 HG SER A 60 26.552 -28.452 6.467 1.00 0.00 H new TER 977 SER A 60