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 Single : A 1 GLY N :NH3+ -153:sc= 0 (180deg=-0.244) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -53:sc= 0.163 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 14 SER OG : rot -90:sc= -0.138 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -2.14 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.14) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.154 (180deg=-0.64) 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= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 92:sc= 1.2 USER MOD Single : A 42 THR OG1 : rot 76:sc= 0.596 USER MOD Single : A 43 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.084) USER MOD Single : A 46 THR OG1 : rot -12:sc= 0.0617 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.4) USER MOD Single : A 55 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.139) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.650 19.451 -1.678 1.00 0.00 N ATOM 2 CA GLY A 1 -32.653 18.620 -0.944 1.00 0.00 C ATOM 3 C GLY A 1 -32.994 18.610 0.550 1.00 0.00 C ATOM 4 O GLY A 1 -32.403 19.337 1.322 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.724 19.118 -2.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.578 19.370 -1.215 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.345 20.445 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.654 17.602 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.650 19.018 -1.096 1.00 0.00 H new ATOM 10 N PRO A 2 -33.940 17.780 0.910 1.00 0.00 N ATOM 11 CA PRO A 2 -34.360 17.679 2.329 1.00 0.00 C ATOM 12 C PRO A 2 -33.289 16.957 3.153 1.00 0.00 C ATOM 13 O PRO A 2 -33.514 15.882 3.675 1.00 0.00 O ATOM 14 CB PRO A 2 -35.645 16.856 2.266 1.00 0.00 C ATOM 15 CG PRO A 2 -35.535 16.061 1.004 1.00 0.00 C ATOM 16 CD PRO A 2 -34.701 16.869 0.043 1.00 0.00 C ATOM 0 HA PRO A 2 -34.505 18.650 2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -35.740 16.205 3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -36.525 17.499 2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -35.071 15.094 1.197 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -36.522 15.864 0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -34.040 16.232 -0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -35.325 17.418 -0.663 1.00 0.00 H new ATOM 24 N MET A 3 -32.124 17.541 3.271 1.00 0.00 N ATOM 25 CA MET A 3 -31.031 16.894 4.061 1.00 0.00 C ATOM 26 C MET A 3 -30.798 15.459 3.577 1.00 0.00 C ATOM 27 O MET A 3 -31.163 14.505 4.236 1.00 0.00 O ATOM 28 CB MET A 3 -31.524 16.901 5.509 1.00 0.00 C ATOM 29 CG MET A 3 -30.411 16.397 6.430 1.00 0.00 C ATOM 30 SD MET A 3 -30.834 16.772 8.149 1.00 0.00 S ATOM 31 CE MET A 3 -29.340 16.087 8.905 1.00 0.00 C ATOM 0 H MET A 3 -31.881 18.440 2.854 1.00 0.00 H new ATOM 0 HA MET A 3 -30.082 17.420 3.953 1.00 0.00 H new ATOM 0 HB2 MET A 3 -31.821 17.909 5.798 1.00 0.00 H new ATOM 0 HB3 MET A 3 -32.406 16.268 5.607 1.00 0.00 H new ATOM 0 HG2 MET A 3 -30.278 15.323 6.303 1.00 0.00 H new ATOM 0 HG3 MET A 3 -29.464 16.869 6.166 1.00 0.00 H new ATOM 0 HE1 MET A 3 -29.389 16.213 9.987 1.00 0.00 H new ATOM 0 HE2 MET A 3 -29.265 15.026 8.666 1.00 0.00 H new ATOM 0 HE3 MET A 3 -28.465 16.609 8.518 1.00 0.00 H new ATOM 41 N SER A 4 -30.193 15.301 2.430 1.00 0.00 N ATOM 42 CA SER A 4 -29.937 13.929 1.902 1.00 0.00 C ATOM 43 C SER A 4 -28.510 13.492 2.240 1.00 0.00 C ATOM 44 O SER A 4 -27.861 12.807 1.472 1.00 0.00 O ATOM 45 CB SER A 4 -30.116 14.047 0.388 1.00 0.00 C ATOM 46 OG SER A 4 -30.213 12.746 -0.176 1.00 0.00 O ATOM 0 H SER A 4 -29.865 16.062 1.836 1.00 0.00 H new ATOM 0 HA SER A 4 -30.608 13.188 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 4 -31.013 14.623 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 4 -29.274 14.583 -0.049 1.00 0.00 H new ATOM 0 HG SER A 4 -29.444 12.209 0.107 1.00 0.00 H new ATOM 52 N THR A 5 -28.016 13.881 3.385 1.00 0.00 N ATOM 53 CA THR A 5 -26.630 13.488 3.776 1.00 0.00 C ATOM 54 C THR A 5 -26.583 12.001 4.132 1.00 0.00 C ATOM 55 O THR A 5 -25.585 11.337 3.928 1.00 0.00 O ATOM 56 CB THR A 5 -26.301 14.346 5.000 1.00 0.00 C ATOM 57 OG1 THR A 5 -27.364 14.254 5.938 1.00 0.00 O ATOM 58 CG2 THR A 5 -26.119 15.803 4.571 1.00 0.00 C ATOM 0 H THR A 5 -28.512 14.454 4.067 1.00 0.00 H new ATOM 0 HA THR A 5 -25.914 13.643 2.969 1.00 0.00 H new ATOM 0 HB THR A 5 -25.379 13.989 5.459 1.00 0.00 H new ATOM 0 HG1 THR A 5 -27.155 14.801 6.724 1.00 0.00 H new ATOM 0 HG21 THR A 5 -25.885 16.413 5.444 1.00 0.00 H new ATOM 0 HG22 THR A 5 -25.303 15.871 3.851 1.00 0.00 H new ATOM 0 HG23 THR A 5 -27.039 16.165 4.112 1.00 0.00 H new ATOM 66 N THR A 6 -27.655 11.473 4.660 1.00 0.00 N ATOM 67 CA THR A 6 -27.677 10.025 5.027 1.00 0.00 C ATOM 68 C THR A 6 -27.254 9.169 3.829 1.00 0.00 C ATOM 69 O THR A 6 -26.743 8.076 3.984 1.00 0.00 O ATOM 70 CB THR A 6 -29.129 9.733 5.409 1.00 0.00 C ATOM 71 OG1 THR A 6 -29.608 10.761 6.265 1.00 0.00 O ATOM 72 CG2 THR A 6 -29.207 8.387 6.131 1.00 0.00 C ATOM 0 H THR A 6 -28.518 11.982 4.854 1.00 0.00 H new ATOM 0 HA THR A 6 -26.989 9.795 5.840 1.00 0.00 H new ATOM 0 HB THR A 6 -29.742 9.696 4.508 1.00 0.00 H new ATOM 0 HG1 THR A 6 -30.539 10.576 6.509 1.00 0.00 H new ATOM 0 HG21 THR A 6 -30.242 8.179 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 6 -28.840 7.599 5.473 1.00 0.00 H new ATOM 0 HG23 THR A 6 -28.595 8.422 7.032 1.00 0.00 H new ATOM 80 N GLU A 7 -27.461 9.660 2.636 1.00 0.00 N ATOM 81 CA GLU A 7 -27.070 8.878 1.427 1.00 0.00 C ATOM 82 C GLU A 7 -25.551 8.923 1.241 1.00 0.00 C ATOM 83 O GLU A 7 -24.910 7.908 1.049 1.00 0.00 O ATOM 84 CB GLU A 7 -27.774 9.572 0.260 1.00 0.00 C ATOM 85 CG GLU A 7 -27.579 8.749 -1.016 1.00 0.00 C ATOM 86 CD GLU A 7 -28.807 8.903 -1.916 1.00 0.00 C ATOM 87 OE1 GLU A 7 -29.258 10.024 -2.082 1.00 0.00 O ATOM 88 OE2 GLU A 7 -29.275 7.897 -2.422 1.00 0.00 O ATOM 0 H GLU A 7 -27.884 10.569 2.447 1.00 0.00 H new ATOM 0 HA GLU A 7 -27.351 7.828 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -28.837 9.682 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -27.371 10.576 0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -26.685 9.082 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -27.429 7.699 -0.765 1.00 0.00 H new ATOM 95 N VAL A 8 -24.972 10.092 1.301 1.00 0.00 N ATOM 96 CA VAL A 8 -23.493 10.204 1.130 1.00 0.00 C ATOM 97 C VAL A 8 -22.778 9.567 2.325 1.00 0.00 C ATOM 98 O VAL A 8 -21.670 9.084 2.211 1.00 0.00 O ATOM 99 CB VAL A 8 -23.208 11.707 1.072 1.00 0.00 C ATOM 100 CG1 VAL A 8 -21.709 11.937 0.861 1.00 0.00 C ATOM 101 CG2 VAL A 8 -23.983 12.330 -0.092 1.00 0.00 C ATOM 0 H VAL A 8 -25.458 10.974 1.461 1.00 0.00 H new ATOM 0 HA VAL A 8 -23.141 9.691 0.235 1.00 0.00 H new ATOM 0 HB VAL A 8 -23.520 12.169 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -21.507 13.007 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -21.153 11.495 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -21.398 11.473 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -23.780 13.400 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -23.671 11.865 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -25.051 12.169 0.054 1.00 0.00 H new ATOM 111 N ARG A 9 -23.408 9.564 3.471 1.00 0.00 N ATOM 112 CA ARG A 9 -22.768 8.957 4.676 1.00 0.00 C ATOM 113 C ARG A 9 -22.657 7.439 4.506 1.00 0.00 C ATOM 114 O ARG A 9 -21.603 6.861 4.686 1.00 0.00 O ATOM 115 CB ARG A 9 -23.701 9.302 5.842 1.00 0.00 C ATOM 116 CG ARG A 9 -22.915 10.042 6.926 1.00 0.00 C ATOM 117 CD ARG A 9 -23.070 11.554 6.733 1.00 0.00 C ATOM 118 NE ARG A 9 -23.428 12.080 8.080 1.00 0.00 N ATOM 119 CZ ARG A 9 -22.492 12.488 8.891 1.00 0.00 C ATOM 120 NH1 ARG A 9 -21.760 13.521 8.576 1.00 0.00 N ATOM 121 NH2 ARG A 9 -22.288 11.863 10.019 1.00 0.00 N ATOM 0 H ARG A 9 -24.337 9.955 3.625 1.00 0.00 H new ATOM 0 HA ARG A 9 -21.758 9.333 4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -24.526 9.921 5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -24.138 8.392 6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -23.276 9.752 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -21.862 9.765 6.878 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -22.146 12.002 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -23.846 11.781 6.002 1.00 0.00 H new ATOM 0 HE ARG A 9 -24.406 12.121 8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -21.920 14.010 7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -21.028 13.840 9.211 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -22.861 11.056 10.266 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.556 12.182 10.654 1.00 0.00 H new ATOM 135 N GLU A 10 -23.737 6.790 4.161 1.00 0.00 N ATOM 136 CA GLU A 10 -23.695 5.309 3.978 1.00 0.00 C ATOM 137 C GLU A 10 -22.714 4.945 2.859 1.00 0.00 C ATOM 138 O GLU A 10 -21.920 4.032 2.990 1.00 0.00 O ATOM 139 CB GLU A 10 -25.121 4.914 3.590 1.00 0.00 C ATOM 140 CG GLU A 10 -25.294 3.402 3.751 1.00 0.00 C ATOM 141 CD GLU A 10 -25.027 2.712 2.412 1.00 0.00 C ATOM 142 OE1 GLU A 10 -23.866 2.568 2.064 1.00 0.00 O ATOM 143 OE2 GLU A 10 -25.986 2.339 1.758 1.00 0.00 O ATOM 0 H GLU A 10 -24.647 7.221 3.998 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.361 4.791 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.839 5.442 4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.323 5.206 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.608 3.026 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -26.303 3.175 4.094 1.00 0.00 H new ATOM 150 N ARG A 11 -22.763 5.652 1.763 1.00 0.00 N ATOM 151 CA ARG A 11 -21.833 5.349 0.634 1.00 0.00 C ATOM 152 C ARG A 11 -20.400 5.725 1.016 1.00 0.00 C ATOM 153 O ARG A 11 -19.447 5.123 0.560 1.00 0.00 O ATOM 154 CB ARG A 11 -22.323 6.214 -0.528 1.00 0.00 C ATOM 155 CG ARG A 11 -23.647 5.657 -1.059 1.00 0.00 C ATOM 156 CD ARG A 11 -23.378 4.785 -2.289 1.00 0.00 C ATOM 157 NE ARG A 11 -23.342 3.390 -1.768 1.00 0.00 N ATOM 158 CZ ARG A 11 -22.387 2.581 -2.138 1.00 0.00 C ATOM 159 NH1 ARG A 11 -22.194 2.335 -3.405 1.00 0.00 N ATOM 160 NH2 ARG A 11 -21.625 2.019 -1.240 1.00 0.00 N ATOM 0 H ARG A 11 -23.406 6.427 1.599 1.00 0.00 H new ATOM 0 HA ARG A 11 -21.826 4.290 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -22.457 7.244 -0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.578 6.229 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -24.143 5.070 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -24.319 6.474 -1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -24.160 4.907 -3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -22.435 5.054 -2.765 1.00 0.00 H new ATOM 0 HE ARG A 11 -24.063 3.067 -1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -22.790 2.775 -4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -21.448 1.703 -3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.776 2.212 -0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.878 1.387 -1.528 1.00 0.00 H new ATOM 174 N ARG A 12 -20.239 6.718 1.850 1.00 0.00 N ATOM 175 CA ARG A 12 -18.867 7.135 2.263 1.00 0.00 C ATOM 176 C ARG A 12 -18.219 6.048 3.125 1.00 0.00 C ATOM 177 O ARG A 12 -17.017 5.881 3.126 1.00 0.00 O ATOM 178 CB ARG A 12 -19.064 8.415 3.077 1.00 0.00 C ATOM 179 CG ARG A 12 -18.980 9.629 2.149 1.00 0.00 C ATOM 180 CD ARG A 12 -17.540 10.142 2.109 1.00 0.00 C ATOM 181 NE ARG A 12 -17.301 10.725 3.459 1.00 0.00 N ATOM 182 CZ ARG A 12 -16.363 11.617 3.629 1.00 0.00 C ATOM 183 NH1 ARG A 12 -15.114 11.296 3.432 1.00 0.00 N ATOM 184 NH2 ARG A 12 -16.675 12.829 3.994 1.00 0.00 N ATOM 0 H ARG A 12 -20.999 7.259 2.263 1.00 0.00 H new ATOM 0 HA ARG A 12 -18.213 7.295 1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -20.031 8.394 3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -18.303 8.485 3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -19.308 9.357 1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -19.648 10.416 2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.839 9.334 1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -17.409 10.890 1.327 1.00 0.00 H new ATOM 0 HE ARG A 12 -17.871 10.427 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.870 10.348 3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.381 11.993 3.565 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.652 13.080 4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.942 13.526 4.127 1.00 0.00 H new ATOM 198 N ARG A 13 -19.010 5.309 3.858 1.00 0.00 N ATOM 199 CA ARG A 13 -18.441 4.233 4.722 1.00 0.00 C ATOM 200 C ARG A 13 -18.108 2.996 3.883 1.00 0.00 C ATOM 201 O ARG A 13 -17.084 2.367 4.068 1.00 0.00 O ATOM 202 CB ARG A 13 -19.544 3.913 5.732 1.00 0.00 C ATOM 203 CG ARG A 13 -19.695 5.079 6.712 1.00 0.00 C ATOM 204 CD ARG A 13 -18.829 4.825 7.950 1.00 0.00 C ATOM 205 NE ARG A 13 -19.708 5.149 9.108 1.00 0.00 N ATOM 206 CZ ARG A 13 -19.935 4.251 10.026 1.00 0.00 C ATOM 207 NH1 ARG A 13 -19.054 4.040 10.965 1.00 0.00 N ATOM 208 NH2 ARG A 13 -21.045 3.563 10.006 1.00 0.00 N ATOM 0 H ARG A 13 -20.025 5.404 3.896 1.00 0.00 H new ATOM 0 HA ARG A 13 -17.516 4.542 5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -20.486 3.736 5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -19.302 2.999 6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -19.397 6.011 6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -20.740 5.190 7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -18.490 3.790 7.989 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -17.937 5.452 7.944 1.00 0.00 H new ATOM 0 HE ARG A 13 -20.132 6.073 9.183 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -18.187 4.578 10.981 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -19.232 3.338 11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -21.734 3.728 9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -21.223 2.861 10.724 1.00 0.00 H new ATOM 222 N SER A 14 -18.967 2.642 2.965 1.00 0.00 N ATOM 223 CA SER A 14 -18.707 1.442 2.111 1.00 0.00 C ATOM 224 C SER A 14 -17.386 1.597 1.353 1.00 0.00 C ATOM 225 O SER A 14 -16.730 0.624 1.039 1.00 0.00 O ATOM 226 CB SER A 14 -19.874 1.361 1.128 1.00 0.00 C ATOM 227 OG SER A 14 -20.840 2.359 1.440 1.00 0.00 O ATOM 0 H SER A 14 -19.840 3.132 2.768 1.00 0.00 H new ATOM 0 HA SER A 14 -18.628 0.538 2.714 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.513 1.498 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 14 -20.331 0.373 1.174 1.00 0.00 H new ATOM 0 HG SER A 14 -21.494 1.995 2.072 1.00 0.00 H new ATOM 233 N TYR A 15 -17.003 2.812 1.044 1.00 0.00 N ATOM 234 CA TYR A 15 -15.726 3.042 0.291 1.00 0.00 C ATOM 235 C TYR A 15 -14.612 2.118 0.808 1.00 0.00 C ATOM 236 O TYR A 15 -13.720 1.738 0.075 1.00 0.00 O ATOM 237 CB TYR A 15 -15.391 4.527 0.524 1.00 0.00 C ATOM 238 CG TYR A 15 -14.374 4.685 1.634 1.00 0.00 C ATOM 239 CD1 TYR A 15 -14.731 4.413 2.960 1.00 0.00 C ATOM 240 CD2 TYR A 15 -13.074 5.110 1.334 1.00 0.00 C ATOM 241 CE1 TYR A 15 -13.789 4.563 3.984 1.00 0.00 C ATOM 242 CE2 TYR A 15 -12.131 5.261 2.358 1.00 0.00 C ATOM 243 CZ TYR A 15 -12.489 4.988 3.684 1.00 0.00 C ATOM 244 OH TYR A 15 -11.561 5.136 4.694 1.00 0.00 O ATOM 0 H TYR A 15 -17.520 3.658 1.281 1.00 0.00 H new ATOM 0 HA TYR A 15 -15.824 2.817 -0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -15.002 4.965 -0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -16.300 5.073 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -15.734 4.087 3.193 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -12.798 5.322 0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -14.065 4.351 5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.128 5.588 2.125 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.709 5.437 4.314 1.00 0.00 H new ATOM 254 N LEU A 16 -14.667 1.747 2.060 1.00 0.00 N ATOM 255 CA LEU A 16 -13.625 0.841 2.616 1.00 0.00 C ATOM 256 C LEU A 16 -14.254 -0.158 3.577 1.00 0.00 C ATOM 257 O LEU A 16 -13.698 -0.473 4.610 1.00 0.00 O ATOM 258 CB LEU A 16 -12.649 1.747 3.358 1.00 0.00 C ATOM 259 CG LEU A 16 -11.439 0.925 3.812 1.00 0.00 C ATOM 260 CD1 LEU A 16 -10.248 1.214 2.896 1.00 0.00 C ATOM 261 CD2 LEU A 16 -11.076 1.297 5.251 1.00 0.00 C ATOM 0 H LEU A 16 -15.390 2.034 2.720 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.128 0.267 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.327 2.562 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.139 2.200 4.220 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.686 -0.135 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.388 0.628 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.504 0.945 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.002 2.275 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.215 0.711 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.832 2.358 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.922 1.087 5.905 1.00 0.00 H new ATOM 273 N THR A 17 -15.407 -0.666 3.242 1.00 0.00 N ATOM 274 CA THR A 17 -16.067 -1.658 4.138 1.00 0.00 C ATOM 275 C THR A 17 -15.082 -2.785 4.485 1.00 0.00 C ATOM 276 O THR A 17 -14.948 -3.154 5.635 1.00 0.00 O ATOM 277 CB THR A 17 -17.266 -2.207 3.354 1.00 0.00 C ATOM 278 OG1 THR A 17 -17.580 -1.333 2.278 1.00 0.00 O ATOM 279 CG2 THR A 17 -18.474 -2.326 4.284 1.00 0.00 C ATOM 0 H THR A 17 -15.920 -0.439 2.390 1.00 0.00 H new ATOM 0 HA THR A 17 -16.387 -1.207 5.077 1.00 0.00 H new ATOM 0 HB THR A 17 -17.014 -3.190 2.956 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.345 -1.689 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 17 -19.325 -2.716 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 17 -18.236 -3.003 5.104 1.00 0.00 H new ATOM 0 HG23 THR A 17 -18.722 -1.343 4.685 1.00 0.00 H new ATOM 287 N PRO A 18 -14.404 -3.285 3.477 1.00 0.00 N ATOM 288 CA PRO A 18 -13.414 -4.353 3.689 1.00 0.00 C ATOM 289 C PRO A 18 -12.065 -3.719 4.001 1.00 0.00 C ATOM 290 O PRO A 18 -11.280 -3.439 3.115 1.00 0.00 O ATOM 291 CB PRO A 18 -13.374 -5.070 2.349 1.00 0.00 C ATOM 292 CG PRO A 18 -13.816 -4.055 1.333 1.00 0.00 C ATOM 293 CD PRO A 18 -14.492 -2.916 2.064 1.00 0.00 C ATOM 0 HA PRO A 18 -13.654 -5.026 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.370 -5.433 2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.034 -5.937 2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.961 -3.688 0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.502 -4.508 0.617 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.992 -1.967 1.870 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.529 -2.801 1.748 1.00 0.00 H new ATOM 301 N VAL A 19 -11.799 -3.467 5.248 1.00 0.00 N ATOM 302 CA VAL A 19 -10.507 -2.823 5.611 1.00 0.00 C ATOM 303 C VAL A 19 -9.340 -3.791 5.421 1.00 0.00 C ATOM 304 O VAL A 19 -8.188 -3.417 5.514 1.00 0.00 O ATOM 305 CB VAL A 19 -10.651 -2.428 7.080 1.00 0.00 C ATOM 306 CG1 VAL A 19 -9.366 -1.749 7.560 1.00 0.00 C ATOM 307 CG2 VAL A 19 -11.828 -1.460 7.240 1.00 0.00 C ATOM 0 H VAL A 19 -12.417 -3.678 6.032 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.295 -1.961 4.978 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.832 -3.323 7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.472 -1.469 8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.528 -2.438 7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.181 -0.856 6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.929 -1.180 8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.649 -0.567 6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.745 -1.944 6.904 1.00 0.00 H new ATOM 317 N ARG A 20 -9.635 -5.028 5.153 1.00 0.00 N ATOM 318 CA ARG A 20 -8.556 -6.043 4.945 1.00 0.00 C ATOM 319 C ARG A 20 -7.486 -5.499 3.990 1.00 0.00 C ATOM 320 O ARG A 20 -6.326 -5.858 4.072 1.00 0.00 O ATOM 321 CB ARG A 20 -9.261 -7.251 4.322 1.00 0.00 C ATOM 322 CG ARG A 20 -10.149 -6.786 3.164 1.00 0.00 C ATOM 323 CD ARG A 20 -10.429 -7.964 2.228 1.00 0.00 C ATOM 324 NE ARG A 20 -9.254 -8.021 1.314 1.00 0.00 N ATOM 325 CZ ARG A 20 -9.122 -9.019 0.483 1.00 0.00 C ATOM 326 NH1 ARG A 20 -10.007 -9.207 -0.457 1.00 0.00 N ATOM 327 NH2 ARG A 20 -8.105 -9.829 0.592 1.00 0.00 N ATOM 0 H ARG A 20 -10.585 -5.389 5.067 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.050 -6.298 5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.524 -7.970 3.963 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.864 -7.761 5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.086 -6.384 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.658 -5.982 2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.540 -8.894 2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.354 -7.814 1.672 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.553 -7.281 1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.802 -8.574 -0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.904 -9.987 -1.106 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.413 -9.683 1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.002 -10.609 -0.057 1.00 0.00 H new ATOM 341 N ASP A 21 -7.866 -4.629 3.090 1.00 0.00 N ATOM 342 CA ASP A 21 -6.870 -4.056 2.138 1.00 0.00 C ATOM 343 C ASP A 21 -6.027 -3.006 2.847 1.00 0.00 C ATOM 344 O ASP A 21 -4.859 -2.825 2.568 1.00 0.00 O ATOM 345 CB ASP A 21 -7.697 -3.424 1.018 1.00 0.00 C ATOM 346 CG ASP A 21 -6.864 -3.369 -0.263 1.00 0.00 C ATOM 347 OD1 ASP A 21 -5.875 -2.654 -0.273 1.00 0.00 O ATOM 348 OD2 ASP A 21 -7.229 -4.041 -1.214 1.00 0.00 O ATOM 0 H ASP A 21 -8.822 -4.292 2.974 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.185 -4.809 1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.604 -4.004 0.850 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.009 -2.420 1.305 1.00 0.00 H new ATOM 353 N GLU A 22 -6.624 -2.323 3.771 1.00 0.00 N ATOM 354 CA GLU A 22 -5.893 -1.279 4.533 1.00 0.00 C ATOM 355 C GLU A 22 -4.850 -1.937 5.438 1.00 0.00 C ATOM 356 O GLU A 22 -3.805 -1.379 5.707 1.00 0.00 O ATOM 357 CB GLU A 22 -6.960 -0.570 5.368 1.00 0.00 C ATOM 358 CG GLU A 22 -6.648 0.926 5.431 1.00 0.00 C ATOM 359 CD GLU A 22 -5.382 1.149 6.262 1.00 0.00 C ATOM 360 OE1 GLU A 22 -5.420 0.870 7.448 1.00 0.00 O ATOM 361 OE2 GLU A 22 -4.397 1.594 5.697 1.00 0.00 O ATOM 0 H GLU A 22 -7.601 -2.443 4.037 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.364 -0.582 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.945 -0.729 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.988 -0.989 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.510 1.322 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.486 1.465 5.874 1.00 0.00 H new ATOM 368 N GLU A 23 -5.130 -3.126 5.903 1.00 0.00 N ATOM 369 CA GLU A 23 -4.157 -3.831 6.787 1.00 0.00 C ATOM 370 C GLU A 23 -2.993 -4.373 5.955 1.00 0.00 C ATOM 371 O GLU A 23 -1.842 -4.258 6.331 1.00 0.00 O ATOM 372 CB GLU A 23 -4.950 -4.979 7.414 1.00 0.00 C ATOM 373 CG GLU A 23 -5.871 -4.429 8.504 1.00 0.00 C ATOM 374 CD GLU A 23 -5.110 -4.356 9.828 1.00 0.00 C ATOM 375 OE1 GLU A 23 -3.950 -3.976 9.803 1.00 0.00 O ATOM 376 OE2 GLU A 23 -5.698 -4.681 10.846 1.00 0.00 O ATOM 0 H GLU A 23 -5.990 -3.639 5.709 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.730 -3.173 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.537 -5.489 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.269 -5.717 7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.231 -3.439 8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.747 -5.069 8.611 1.00 0.00 H new ATOM 383 N SER A 24 -3.284 -4.959 4.824 1.00 0.00 N ATOM 384 CA SER A 24 -2.195 -5.505 3.962 1.00 0.00 C ATOM 385 C SER A 24 -1.353 -4.359 3.395 1.00 0.00 C ATOM 386 O SER A 24 -0.142 -4.436 3.334 1.00 0.00 O ATOM 387 CB SER A 24 -2.912 -6.252 2.838 1.00 0.00 C ATOM 388 OG SER A 24 -3.257 -7.556 3.287 1.00 0.00 O ATOM 0 H SER A 24 -4.229 -5.083 4.460 1.00 0.00 H new ATOM 0 HA SER A 24 -1.518 -6.158 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.808 -5.709 2.539 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.269 -6.315 1.960 1.00 0.00 H new ATOM 0 HG SER A 24 -3.719 -8.038 2.569 1.00 0.00 H new ATOM 394 N GLU A 25 -1.990 -3.295 2.982 1.00 0.00 N ATOM 395 CA GLU A 25 -1.230 -2.139 2.420 1.00 0.00 C ATOM 396 C GLU A 25 -0.319 -1.540 3.495 1.00 0.00 C ATOM 397 O GLU A 25 0.849 -1.295 3.267 1.00 0.00 O ATOM 398 CB GLU A 25 -2.296 -1.128 1.996 1.00 0.00 C ATOM 399 CG GLU A 25 -2.576 -1.279 0.499 1.00 0.00 C ATOM 400 CD GLU A 25 -1.720 -0.283 -0.285 1.00 0.00 C ATOM 401 OE1 GLU A 25 -1.637 0.858 0.138 1.00 0.00 O ATOM 402 OE2 GLU A 25 -1.161 -0.679 -1.296 1.00 0.00 O ATOM 0 H GLU A 25 -3.003 -3.176 3.009 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.593 -2.429 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.211 -1.288 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.958 -0.115 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.354 -2.297 0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.633 -1.104 0.297 1.00 0.00 H new ATOM 409 N SER A 26 -0.846 -1.306 4.668 1.00 0.00 N ATOM 410 CA SER A 26 -0.013 -0.725 5.760 1.00 0.00 C ATOM 411 C SER A 26 1.116 -1.692 6.128 1.00 0.00 C ATOM 412 O SER A 26 2.215 -1.285 6.449 1.00 0.00 O ATOM 413 CB SER A 26 -0.968 -0.544 6.940 1.00 0.00 C ATOM 414 OG SER A 26 -0.437 0.431 7.828 1.00 0.00 O ATOM 0 H SER A 26 -1.818 -1.492 4.916 1.00 0.00 H new ATOM 0 HA SER A 26 0.452 0.217 5.468 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.950 -0.232 6.584 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.104 -1.492 7.461 1.00 0.00 H new ATOM 0 HG SER A 26 -1.048 0.551 8.585 1.00 0.00 H new ATOM 420 N GLN A 27 0.851 -2.971 6.078 1.00 0.00 N ATOM 421 CA GLN A 27 1.908 -3.967 6.420 1.00 0.00 C ATOM 422 C GLN A 27 2.965 -4.014 5.314 1.00 0.00 C ATOM 423 O GLN A 27 4.139 -4.187 5.572 1.00 0.00 O ATOM 424 CB GLN A 27 1.176 -5.306 6.522 1.00 0.00 C ATOM 425 CG GLN A 27 2.160 -6.396 6.953 1.00 0.00 C ATOM 426 CD GLN A 27 2.630 -6.125 8.383 1.00 0.00 C ATOM 427 OE1 GLN A 27 3.802 -5.907 8.619 1.00 0.00 O ATOM 428 NE2 GLN A 27 1.759 -6.129 9.355 1.00 0.00 N ATOM 0 H GLN A 27 -0.051 -3.368 5.815 1.00 0.00 H new ATOM 0 HA GLN A 27 2.427 -3.717 7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.361 -5.233 7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.731 -5.563 5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.683 -7.374 6.895 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.014 -6.417 6.276 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.775 -6.312 9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.062 -5.949 10.312 1.00 0.00 H new ATOM 437 N ARG A 28 2.553 -3.858 4.084 1.00 0.00 N ATOM 438 CA ARG A 28 3.531 -3.890 2.957 1.00 0.00 C ATOM 439 C ARG A 28 4.403 -2.632 2.983 1.00 0.00 C ATOM 440 O ARG A 28 5.593 -2.685 2.736 1.00 0.00 O ATOM 441 CB ARG A 28 2.677 -3.924 1.688 1.00 0.00 C ATOM 442 CG ARG A 28 3.586 -4.024 0.462 1.00 0.00 C ATOM 443 CD ARG A 28 4.180 -5.431 0.377 1.00 0.00 C ATOM 444 NE ARG A 28 5.550 -5.304 0.945 1.00 0.00 N ATOM 445 CZ ARG A 28 6.541 -5.970 0.415 1.00 0.00 C ATOM 446 NH1 ARG A 28 6.485 -7.271 0.339 1.00 0.00 N ATOM 447 NH2 ARG A 28 7.585 -5.333 -0.038 1.00 0.00 N ATOM 0 H ARG A 28 1.582 -3.710 3.811 1.00 0.00 H new ATOM 0 HA ARG A 28 4.203 -4.746 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.995 -4.774 1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.063 -3.025 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.019 -3.802 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.384 -3.285 0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.583 -6.147 0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.211 -5.785 -0.653 1.00 0.00 H new ATOM 0 HE ARG A 28 5.715 -4.697 1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.668 -7.768 0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.259 -7.791 -0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.627 -4.316 0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.359 -5.852 -0.452 1.00 0.00 H new ATOM 461 N LYS A 29 3.820 -1.502 3.283 1.00 0.00 N ATOM 462 CA LYS A 29 4.615 -0.238 3.328 1.00 0.00 C ATOM 463 C LYS A 29 5.637 -0.302 4.466 1.00 0.00 C ATOM 464 O LYS A 29 6.751 0.169 4.339 1.00 0.00 O ATOM 465 CB LYS A 29 3.590 0.870 3.584 1.00 0.00 C ATOM 466 CG LYS A 29 3.839 2.038 2.624 1.00 0.00 C ATOM 467 CD LYS A 29 4.449 3.215 3.392 1.00 0.00 C ATOM 468 CE LYS A 29 3.353 4.227 3.735 1.00 0.00 C ATOM 469 NZ LYS A 29 2.567 3.588 4.825 1.00 0.00 N ATOM 0 H LYS A 29 2.828 -1.399 3.499 1.00 0.00 H new ATOM 0 HA LYS A 29 5.173 -0.066 2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.580 0.483 3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.662 1.214 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.510 1.727 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.903 2.343 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.927 2.858 4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.224 3.692 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.780 5.176 4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.726 4.439 2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.981 4.306 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.954 2.849 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.216 3.162 5.517 1.00 0.00 H new ATOM 483 N ALA A 30 5.268 -0.884 5.575 1.00 0.00 N ATOM 484 CA ALA A 30 6.218 -0.982 6.722 1.00 0.00 C ATOM 485 C ALA A 30 7.324 -1.990 6.402 1.00 0.00 C ATOM 486 O ALA A 30 8.475 -1.790 6.738 1.00 0.00 O ATOM 487 CB ALA A 30 5.373 -1.468 7.901 1.00 0.00 C ATOM 0 H ALA A 30 4.349 -1.296 5.737 1.00 0.00 H new ATOM 0 HA ALA A 30 6.705 -0.031 6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.003 -1.565 8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.578 -0.749 8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.935 -2.436 7.660 1.00 0.00 H new ATOM 493 N ARG A 31 6.983 -3.071 5.751 1.00 0.00 N ATOM 494 CA ARG A 31 8.015 -4.093 5.406 1.00 0.00 C ATOM 495 C ARG A 31 9.047 -3.493 4.447 1.00 0.00 C ATOM 496 O ARG A 31 10.238 -3.682 4.605 1.00 0.00 O ATOM 497 CB ARG A 31 7.244 -5.224 4.725 1.00 0.00 C ATOM 498 CG ARG A 31 6.665 -6.160 5.788 1.00 0.00 C ATOM 499 CD ARG A 31 6.667 -7.596 5.260 1.00 0.00 C ATOM 500 NE ARG A 31 5.494 -7.672 4.346 1.00 0.00 N ATOM 501 CZ ARG A 31 4.933 -8.824 4.098 1.00 0.00 C ATOM 502 NH1 ARG A 31 5.626 -9.779 3.540 1.00 0.00 N ATOM 503 NH2 ARG A 31 3.681 -9.020 4.407 1.00 0.00 N ATOM 0 H ARG A 31 6.036 -3.290 5.444 1.00 0.00 H new ATOM 0 HA ARG A 31 8.559 -4.444 6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.442 -4.814 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.904 -5.778 4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.254 -6.097 6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.649 -5.856 6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.594 -7.821 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.581 -8.316 6.074 1.00 0.00 H new ATOM 0 HE ARG A 31 5.129 -6.823 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.605 -9.625 3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.189 -10.680 3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.140 -8.273 4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.243 -9.920 4.213 1.00 0.00 H new ATOM 517 N SER A 32 8.599 -2.770 3.455 1.00 0.00 N ATOM 518 CA SER A 32 9.553 -2.155 2.486 1.00 0.00 C ATOM 519 C SER A 32 10.465 -1.160 3.208 1.00 0.00 C ATOM 520 O SER A 32 11.651 -1.088 2.947 1.00 0.00 O ATOM 521 CB SER A 32 8.674 -1.434 1.465 1.00 0.00 C ATOM 522 OG SER A 32 9.402 -1.264 0.256 1.00 0.00 O ATOM 0 H SER A 32 7.614 -2.579 3.274 1.00 0.00 H new ATOM 0 HA SER A 32 10.198 -2.896 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.767 -2.009 1.279 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.363 -0.465 1.855 1.00 0.00 H new ATOM 0 HG SER A 32 8.841 -0.803 -0.402 1.00 0.00 H new ATOM 528 N ARG A 33 9.921 -0.394 4.116 1.00 0.00 N ATOM 529 CA ARG A 33 10.754 0.597 4.859 1.00 0.00 C ATOM 530 C ARG A 33 11.842 -0.124 5.658 1.00 0.00 C ATOM 531 O ARG A 33 12.977 0.307 5.710 1.00 0.00 O ATOM 532 CB ARG A 33 9.782 1.311 5.799 1.00 0.00 C ATOM 533 CG ARG A 33 10.277 2.735 6.063 1.00 0.00 C ATOM 534 CD ARG A 33 9.580 3.704 5.106 1.00 0.00 C ATOM 535 NE ARG A 33 9.206 4.875 5.948 1.00 0.00 N ATOM 536 CZ ARG A 33 9.679 6.058 5.668 1.00 0.00 C ATOM 537 NH1 ARG A 33 10.957 6.215 5.453 1.00 0.00 N ATOM 538 NH2 ARG A 33 8.875 7.083 5.602 1.00 0.00 N ATOM 0 H ARG A 33 8.935 -0.412 4.376 1.00 0.00 H new ATOM 0 HA ARG A 33 11.259 1.295 4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.786 1.337 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.700 0.764 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.072 3.017 7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.357 2.787 5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.242 3.999 4.292 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.700 3.247 4.653 1.00 0.00 H new ATOM 0 HE ARG A 33 8.580 4.752 6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.585 5.413 5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.327 7.140 5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.876 6.960 5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.245 8.008 5.383 1.00 0.00 H new ATOM 552 N GLN A 34 11.502 -1.220 6.283 1.00 0.00 N ATOM 553 CA GLN A 34 12.514 -1.973 7.080 1.00 0.00 C ATOM 554 C GLN A 34 13.517 -2.657 6.147 1.00 0.00 C ATOM 555 O GLN A 34 14.712 -2.622 6.370 1.00 0.00 O ATOM 556 CB GLN A 34 11.711 -3.013 7.862 1.00 0.00 C ATOM 557 CG GLN A 34 12.254 -3.114 9.289 1.00 0.00 C ATOM 558 CD GLN A 34 11.441 -2.203 10.210 1.00 0.00 C ATOM 559 OE1 GLN A 34 10.487 -2.636 10.825 1.00 0.00 O ATOM 560 NE2 GLN A 34 11.780 -0.948 10.332 1.00 0.00 N ATOM 0 H GLN A 34 10.567 -1.627 6.276 1.00 0.00 H new ATOM 0 HA GLN A 34 13.087 -1.323 7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.657 -2.734 7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.775 -3.983 7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.199 -4.145 9.638 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.305 -2.826 9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.581 -0.584 9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.244 -0.332 10.943 1.00 0.00 H new ATOM 569 N ALA A 35 13.038 -3.278 5.102 1.00 0.00 N ATOM 570 CA ALA A 35 13.961 -3.966 4.151 1.00 0.00 C ATOM 571 C ALA A 35 14.908 -2.949 3.506 1.00 0.00 C ATOM 572 O ALA A 35 16.079 -3.213 3.315 1.00 0.00 O ATOM 573 CB ALA A 35 13.051 -4.594 3.096 1.00 0.00 C ATOM 0 H ALA A 35 12.048 -3.339 4.865 1.00 0.00 H new ATOM 0 HA ALA A 35 14.583 -4.711 4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.658 -5.120 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.371 -5.298 3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.475 -3.812 2.601 1.00 0.00 H new ATOM 579 N ARG A 36 14.408 -1.790 3.173 1.00 0.00 N ATOM 580 CA ARG A 36 15.277 -0.755 2.540 1.00 0.00 C ATOM 581 C ARG A 36 16.399 -0.347 3.500 1.00 0.00 C ATOM 582 O ARG A 36 17.557 -0.309 3.135 1.00 0.00 O ATOM 583 CB ARG A 36 14.351 0.431 2.265 1.00 0.00 C ATOM 584 CG ARG A 36 15.039 1.406 1.308 1.00 0.00 C ATOM 585 CD ARG A 36 14.156 2.642 1.116 1.00 0.00 C ATOM 586 NE ARG A 36 14.991 3.590 0.328 1.00 0.00 N ATOM 587 CZ ARG A 36 14.456 4.275 -0.646 1.00 0.00 C ATOM 588 NH1 ARG A 36 13.529 5.157 -0.391 1.00 0.00 N ATOM 589 NH2 ARG A 36 14.849 4.078 -1.875 1.00 0.00 N ATOM 0 H ARG A 36 13.436 -1.514 3.312 1.00 0.00 H new ATOM 0 HA ARG A 36 15.753 -1.119 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.414 0.081 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.103 0.936 3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.011 1.698 1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.220 0.923 0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.236 2.392 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.866 3.073 2.074 1.00 0.00 H new ATOM 0 HE ARG A 36 15.980 3.704 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.222 5.311 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.111 5.692 -1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.574 3.389 -2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.431 4.613 -2.636 1.00 0.00 H new ATOM 603 N GLN A 37 16.061 -0.044 4.725 1.00 0.00 N ATOM 604 CA GLN A 37 17.106 0.361 5.711 1.00 0.00 C ATOM 605 C GLN A 37 18.031 -0.821 6.015 1.00 0.00 C ATOM 606 O GLN A 37 19.227 -0.662 6.161 1.00 0.00 O ATOM 607 CB GLN A 37 16.333 0.774 6.965 1.00 0.00 C ATOM 608 CG GLN A 37 17.257 1.557 7.899 1.00 0.00 C ATOM 609 CD GLN A 37 16.420 2.470 8.797 1.00 0.00 C ATOM 610 OE1 GLN A 37 16.751 3.624 8.987 1.00 0.00 O ATOM 611 NE2 GLN A 37 15.343 1.999 9.363 1.00 0.00 N ATOM 0 H GLN A 37 15.107 -0.059 5.086 1.00 0.00 H new ATOM 0 HA GLN A 37 17.735 1.169 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.473 1.385 6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.947 -0.109 7.474 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.844 0.869 8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.963 2.149 7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.065 1.031 9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.779 2.599 9.965 1.00 0.00 H new ATOM 620 N SER A 38 17.485 -2.004 6.109 1.00 0.00 N ATOM 621 CA SER A 38 18.332 -3.198 6.403 1.00 0.00 C ATOM 622 C SER A 38 19.362 -3.403 5.289 1.00 0.00 C ATOM 623 O SER A 38 20.531 -3.617 5.544 1.00 0.00 O ATOM 624 CB SER A 38 17.357 -4.375 6.454 1.00 0.00 C ATOM 625 OG SER A 38 18.092 -5.592 6.455 1.00 0.00 O ATOM 0 H SER A 38 16.490 -2.196 5.995 1.00 0.00 H new ATOM 0 HA SER A 38 18.888 -3.089 7.334 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.737 -4.310 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.685 -4.343 5.597 1.00 0.00 H new ATOM 0 HG SER A 38 17.471 -6.349 6.489 1.00 0.00 H new ATOM 631 N ARG A 39 18.937 -3.337 4.056 1.00 0.00 N ATOM 632 CA ARG A 39 19.891 -3.527 2.924 1.00 0.00 C ATOM 633 C ARG A 39 20.957 -2.428 2.941 1.00 0.00 C ATOM 634 O ARG A 39 22.098 -2.652 2.587 1.00 0.00 O ATOM 635 CB ARG A 39 19.036 -3.423 1.659 1.00 0.00 C ATOM 636 CG ARG A 39 18.168 -4.675 1.524 1.00 0.00 C ATOM 637 CD ARG A 39 17.408 -4.629 0.196 1.00 0.00 C ATOM 638 NE ARG A 39 18.227 -5.446 -0.744 1.00 0.00 N ATOM 639 CZ ARG A 39 18.084 -5.296 -2.033 1.00 0.00 C ATOM 640 NH1 ARG A 39 18.357 -4.148 -2.591 1.00 0.00 N ATOM 641 NH2 ARG A 39 17.667 -6.294 -2.762 1.00 0.00 N ATOM 0 H ARG A 39 17.970 -3.160 3.783 1.00 0.00 H new ATOM 0 HA ARG A 39 20.415 -4.481 2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 39 18.406 -2.535 1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 39 19.676 -3.315 0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 39 18.791 -5.569 1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 39 17.466 -4.735 2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.403 -5.038 0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 39 17.300 -3.605 -0.162 1.00 0.00 H new ATOM 0 HE ARG A 39 18.899 -6.122 -0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.682 -3.368 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 39 18.245 -4.031 -3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.453 -7.190 -2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.555 -6.178 -3.769 1.00 0.00 H new ATOM 655 N ARG A 40 20.593 -1.242 3.350 1.00 0.00 N ATOM 656 CA ARG A 40 21.583 -0.126 3.389 1.00 0.00 C ATOM 657 C ARG A 40 22.556 -0.324 4.556 1.00 0.00 C ATOM 658 O ARG A 40 23.724 -0.001 4.463 1.00 0.00 O ATOM 659 CB ARG A 40 20.748 1.139 3.595 1.00 0.00 C ATOM 660 CG ARG A 40 21.664 2.365 3.580 1.00 0.00 C ATOM 661 CD ARG A 40 22.039 2.741 5.015 1.00 0.00 C ATOM 662 NE ARG A 40 21.001 3.720 5.441 1.00 0.00 N ATOM 663 CZ ARG A 40 21.218 4.498 6.466 1.00 0.00 C ATOM 664 NH1 ARG A 40 21.336 3.983 7.660 1.00 0.00 N ATOM 665 NH2 ARG A 40 21.317 5.788 6.298 1.00 0.00 N ATOM 0 H ARG A 40 19.652 -0.997 3.659 1.00 0.00 H new ATOM 0 HA ARG A 40 22.183 -0.074 2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 40 19.997 1.224 2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 40 20.213 1.084 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 40 22.563 2.153 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 40 21.162 3.201 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 40 22.045 1.865 5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 40 23.036 3.178 5.061 1.00 0.00 H new ATOM 0 HE ARG A 40 20.120 3.783 4.931 1.00 0.00 H new ATOM 0 HH11 ARG A 40 21.259 2.974 7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 40 21.506 4.589 8.462 1.00 0.00 H new ATOM 0 HH21 ARG A 40 21.225 6.189 5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 40 21.487 6.395 7.100 1.00 0.00 H new ATOM 679 N SER A 41 22.082 -0.852 5.652 1.00 0.00 N ATOM 680 CA SER A 41 22.978 -1.072 6.826 1.00 0.00 C ATOM 681 C SER A 41 23.912 -2.255 6.570 1.00 0.00 C ATOM 682 O SER A 41 24.995 -2.331 7.116 1.00 0.00 O ATOM 683 CB SER A 41 22.047 -1.379 7.992 1.00 0.00 C ATOM 684 OG SER A 41 20.936 -0.493 7.955 1.00 0.00 O ATOM 0 H SER A 41 21.113 -1.141 5.786 1.00 0.00 H new ATOM 0 HA SER A 41 23.607 -0.204 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 41 21.704 -2.412 7.936 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.581 -1.271 8.936 1.00 0.00 H new ATOM 0 HG SER A 41 20.207 -0.904 7.445 1.00 0.00 H new ATOM 690 N THR A 42 23.499 -3.185 5.748 1.00 0.00 N ATOM 691 CA THR A 42 24.364 -4.370 5.462 1.00 0.00 C ATOM 692 C THR A 42 25.753 -3.907 5.023 1.00 0.00 C ATOM 693 O THR A 42 26.745 -4.568 5.265 1.00 0.00 O ATOM 694 CB THR A 42 23.661 -5.112 4.324 1.00 0.00 C ATOM 695 OG1 THR A 42 22.315 -5.380 4.696 1.00 0.00 O ATOM 696 CG2 THR A 42 24.387 -6.428 4.046 1.00 0.00 C ATOM 0 H THR A 42 22.602 -3.176 5.263 1.00 0.00 H new ATOM 0 HA THR A 42 24.499 -5.006 6.337 1.00 0.00 H new ATOM 0 HB THR A 42 23.674 -4.496 3.425 1.00 0.00 H new ATOM 0 HG1 THR A 42 21.788 -4.556 4.632 1.00 0.00 H new ATOM 0 HG21 THR A 42 23.885 -6.956 3.235 1.00 0.00 H new ATOM 0 HG22 THR A 42 25.419 -6.221 3.761 1.00 0.00 H new ATOM 0 HG23 THR A 42 24.375 -7.047 4.943 1.00 0.00 H new ATOM 704 N GLN A 43 25.832 -2.767 4.390 1.00 0.00 N ATOM 705 CA GLN A 43 27.157 -2.245 3.944 1.00 0.00 C ATOM 706 C GLN A 43 26.999 -0.850 3.332 1.00 0.00 C ATOM 707 O GLN A 43 26.045 -0.148 3.607 1.00 0.00 O ATOM 708 CB GLN A 43 27.655 -3.240 2.891 1.00 0.00 C ATOM 709 CG GLN A 43 29.172 -3.394 3.013 1.00 0.00 C ATOM 710 CD GLN A 43 29.494 -4.483 4.036 1.00 0.00 C ATOM 711 OE1 GLN A 43 29.615 -5.642 3.691 1.00 0.00 O ATOM 712 NE2 GLN A 43 29.640 -4.159 5.292 1.00 0.00 N ATOM 0 H GLN A 43 25.034 -2.173 4.162 1.00 0.00 H new ATOM 0 HA GLN A 43 27.858 -2.152 4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 43 27.168 -4.206 3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 43 27.393 -2.891 1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 43 29.601 -3.652 2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 43 29.621 -2.449 3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 43 29.539 -3.187 5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 43 29.855 -4.878 5.982 1.00 0.00 H new ATOM 721 N GLY A 44 27.925 -0.445 2.506 1.00 0.00 N ATOM 722 CA GLY A 44 27.830 0.903 1.876 1.00 0.00 C ATOM 723 C GLY A 44 26.886 0.841 0.675 1.00 0.00 C ATOM 724 O GLY A 44 26.170 1.780 0.392 1.00 0.00 O ATOM 0 H GLY A 44 28.745 -0.990 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 44 27.465 1.630 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 44 28.818 1.238 1.559 1.00 0.00 H new ATOM 728 N VAL A 45 26.887 -0.262 -0.036 1.00 0.00 N ATOM 729 CA VAL A 45 25.994 -0.419 -1.236 1.00 0.00 C ATOM 730 C VAL A 45 26.441 0.493 -2.390 1.00 0.00 C ATOM 731 O VAL A 45 25.969 0.360 -3.502 1.00 0.00 O ATOM 732 CB VAL A 45 24.583 -0.037 -0.775 1.00 0.00 C ATOM 733 CG1 VAL A 45 23.570 -0.456 -1.840 1.00 0.00 C ATOM 734 CG2 VAL A 45 24.257 -0.750 0.542 1.00 0.00 C ATOM 0 H VAL A 45 27.475 -1.071 0.164 1.00 0.00 H new ATOM 0 HA VAL A 45 26.033 -1.441 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 45 24.534 1.041 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.566 -0.185 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.796 0.052 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 45 23.624 -1.534 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 45 23.253 -0.475 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 45 24.308 -1.829 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 45 24.978 -0.454 1.304 1.00 0.00 H new ATOM 744 N THR A 46 27.336 1.415 -2.139 1.00 0.00 N ATOM 745 CA THR A 46 27.812 2.337 -3.221 1.00 0.00 C ATOM 746 C THR A 46 26.623 2.937 -3.982 1.00 0.00 C ATOM 747 O THR A 46 26.732 3.291 -5.140 1.00 0.00 O ATOM 748 CB THR A 46 28.668 1.475 -4.160 1.00 0.00 C ATOM 749 OG1 THR A 46 27.827 0.649 -4.952 1.00 0.00 O ATOM 750 CG2 THR A 46 29.622 0.600 -3.342 1.00 0.00 C ATOM 0 H THR A 46 27.762 1.571 -1.225 1.00 0.00 H new ATOM 0 HA THR A 46 28.381 3.172 -2.811 1.00 0.00 H new ATOM 0 HB THR A 46 29.250 2.129 -4.810 1.00 0.00 H new ATOM 0 HG1 THR A 46 26.916 0.669 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 46 30.226 -0.008 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 46 30.275 1.235 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 46 29.045 -0.050 -2.684 1.00 0.00 H new ATOM 758 N LEU A 47 25.492 3.054 -3.338 1.00 0.00 N ATOM 759 CA LEU A 47 24.299 3.631 -4.021 1.00 0.00 C ATOM 760 C LEU A 47 23.886 4.940 -3.342 1.00 0.00 C ATOM 761 O LEU A 47 23.986 6.006 -3.917 1.00 0.00 O ATOM 762 CB LEU A 47 23.199 2.574 -3.866 1.00 0.00 C ATOM 763 CG LEU A 47 22.950 1.872 -5.205 1.00 0.00 C ATOM 764 CD1 LEU A 47 22.548 2.901 -6.264 1.00 0.00 C ATOM 765 CD2 LEU A 47 24.224 1.151 -5.654 1.00 0.00 C ATOM 0 H LEU A 47 25.343 2.775 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 47 24.494 3.862 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.490 1.843 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 47 22.280 3.043 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 47 22.145 1.147 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 47 22.372 2.396 -7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.637 3.410 -5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 47 23.348 3.631 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.044 0.653 -6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 47 25.030 1.875 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.506 0.411 -4.905 1.00 0.00 H new ATOM 777 N THR A 48 23.427 4.865 -2.122 1.00 0.00 N ATOM 778 CA THR A 48 23.009 6.103 -1.400 1.00 0.00 C ATOM 779 C THR A 48 24.230 6.811 -0.800 1.00 0.00 C ATOM 780 O THR A 48 24.153 7.949 -0.381 1.00 0.00 O ATOM 781 CB THR A 48 22.073 5.618 -0.292 1.00 0.00 C ATOM 782 OG1 THR A 48 21.062 4.795 -0.857 1.00 0.00 O ATOM 783 CG2 THR A 48 21.428 6.822 0.397 1.00 0.00 C ATOM 0 H THR A 48 23.323 3.999 -1.593 1.00 0.00 H new ATOM 0 HA THR A 48 22.523 6.820 -2.062 1.00 0.00 H new ATOM 0 HB THR A 48 22.642 5.045 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 48 20.462 4.481 -0.149 1.00 0.00 H new ATOM 0 HG21 THR A 48 20.761 6.475 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 48 22.205 7.453 0.829 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.858 7.397 -0.333 1.00 0.00 H new ATOM 791 N ASP A 49 25.356 6.145 -0.753 1.00 0.00 N ATOM 792 CA ASP A 49 26.580 6.781 -0.177 1.00 0.00 C ATOM 793 C ASP A 49 26.889 8.096 -0.900 1.00 0.00 C ATOM 794 O ASP A 49 27.436 9.017 -0.324 1.00 0.00 O ATOM 795 CB ASP A 49 27.701 5.767 -0.410 1.00 0.00 C ATOM 796 CG ASP A 49 28.891 6.105 0.490 1.00 0.00 C ATOM 797 OD1 ASP A 49 28.674 6.310 1.673 1.00 0.00 O ATOM 798 OD2 ASP A 49 29.999 6.156 -0.019 1.00 0.00 O ATOM 0 H ASP A 49 25.481 5.190 -1.088 1.00 0.00 H new ATOM 0 HA ASP A 49 26.459 7.022 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 49 27.344 4.759 -0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 49 28.007 5.781 -1.456 1.00 0.00 H new ATOM 803 N LEU A 50 26.542 8.189 -2.157 1.00 0.00 N ATOM 804 CA LEU A 50 26.815 9.445 -2.920 1.00 0.00 C ATOM 805 C LEU A 50 26.234 10.655 -2.181 1.00 0.00 C ATOM 806 O LEU A 50 26.758 11.750 -2.258 1.00 0.00 O ATOM 807 CB LEU A 50 26.113 9.253 -4.266 1.00 0.00 C ATOM 808 CG LEU A 50 26.401 10.453 -5.170 1.00 0.00 C ATOM 809 CD1 LEU A 50 27.639 10.167 -6.020 1.00 0.00 C ATOM 810 CD2 LEU A 50 25.200 10.699 -6.085 1.00 0.00 C ATOM 0 H LEU A 50 26.082 7.450 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 50 27.883 9.629 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.460 8.335 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.039 9.148 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 50 26.579 11.336 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.844 11.022 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.495 9.990 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.462 9.284 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.403 11.554 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.023 9.816 -6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.317 10.903 -5.479 1.00 0.00 H new ATOM 822 N GLN A 51 25.158 10.464 -1.467 1.00 0.00 N ATOM 823 CA GLN A 51 24.543 11.601 -0.722 1.00 0.00 C ATOM 824 C GLN A 51 25.419 11.981 0.476 1.00 0.00 C ATOM 825 O GLN A 51 25.628 13.145 0.758 1.00 0.00 O ATOM 826 CB GLN A 51 23.184 11.081 -0.250 1.00 0.00 C ATOM 827 CG GLN A 51 22.134 12.183 -0.400 1.00 0.00 C ATOM 828 CD GLN A 51 21.488 12.088 -1.784 1.00 0.00 C ATOM 829 OE1 GLN A 51 21.047 11.032 -2.190 1.00 0.00 O ATOM 830 NE2 GLN A 51 21.413 13.157 -2.530 1.00 0.00 N ATOM 0 H GLN A 51 24.678 9.570 -1.367 1.00 0.00 H new ATOM 0 HA GLN A 51 24.443 12.493 -1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 51 22.895 10.207 -0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 51 23.246 10.763 0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 51 21.374 12.084 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 51 22.597 13.161 -0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 51 21.783 14.044 -2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.984 13.105 -3.454 1.00 0.00 H new ATOM 839 N GLU A 52 25.931 11.008 1.179 1.00 0.00 N ATOM 840 CA GLU A 52 26.795 11.312 2.358 1.00 0.00 C ATOM 841 C GLU A 52 28.097 11.974 1.901 1.00 0.00 C ATOM 842 O GLU A 52 28.580 12.906 2.516 1.00 0.00 O ATOM 843 CB GLU A 52 27.083 9.954 3.004 1.00 0.00 C ATOM 844 CG GLU A 52 25.804 9.411 3.642 1.00 0.00 C ATOM 845 CD GLU A 52 25.606 10.052 5.017 1.00 0.00 C ATOM 846 OE1 GLU A 52 25.046 11.134 5.068 1.00 0.00 O ATOM 847 OE2 GLU A 52 26.018 9.449 5.994 1.00 0.00 O ATOM 0 H GLU A 52 25.789 10.016 0.989 1.00 0.00 H new ATOM 0 HA GLU A 52 26.314 11.999 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 52 27.454 9.254 2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 52 27.863 10.056 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.947 9.625 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 52 25.866 8.327 3.740 1.00 0.00 H new ATOM 854 N ALA A 53 28.666 11.501 0.824 1.00 0.00 N ATOM 855 CA ALA A 53 29.937 12.104 0.323 1.00 0.00 C ATOM 856 C ALA A 53 29.712 13.568 -0.058 1.00 0.00 C ATOM 857 O ALA A 53 30.535 14.422 0.205 1.00 0.00 O ATOM 858 CB ALA A 53 30.310 11.280 -0.910 1.00 0.00 C ATOM 0 H ALA A 53 28.306 10.724 0.270 1.00 0.00 H new ATOM 0 HA ALA A 53 30.725 12.089 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 53 31.237 11.663 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 53 30.446 10.237 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 53 29.513 11.351 -1.650 1.00 0.00 H new ATOM 864 N GLU A 54 28.600 13.865 -0.678 1.00 0.00 N ATOM 865 CA GLU A 54 28.317 15.275 -1.076 1.00 0.00 C ATOM 866 C GLU A 54 28.103 16.144 0.166 1.00 0.00 C ATOM 867 O GLU A 54 28.408 17.319 0.173 1.00 0.00 O ATOM 868 CB GLU A 54 27.037 15.206 -1.910 1.00 0.00 C ATOM 869 CG GLU A 54 26.841 16.526 -2.657 1.00 0.00 C ATOM 870 CD GLU A 54 25.387 16.640 -3.120 1.00 0.00 C ATOM 871 OE1 GLU A 54 24.968 15.800 -3.899 1.00 0.00 O ATOM 872 OE2 GLU A 54 24.718 17.564 -2.688 1.00 0.00 O ATOM 0 H GLU A 54 27.875 13.191 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 54 29.142 15.718 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 54 27.097 14.380 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 54 26.180 15.011 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 54 27.094 17.364 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 54 27.512 16.574 -3.515 1.00 0.00 H new ATOM 879 N LYS A 55 27.580 15.570 1.218 1.00 0.00 N ATOM 880 CA LYS A 55 27.344 16.360 2.462 1.00 0.00 C ATOM 881 C LYS A 55 28.679 16.734 3.111 1.00 0.00 C ATOM 882 O LYS A 55 28.829 17.802 3.673 1.00 0.00 O ATOM 883 CB LYS A 55 26.543 15.433 3.378 1.00 0.00 C ATOM 884 CG LYS A 55 25.989 16.232 4.558 1.00 0.00 C ATOM 885 CD LYS A 55 24.712 16.957 4.129 1.00 0.00 C ATOM 886 CE LYS A 55 24.416 18.094 5.111 1.00 0.00 C ATOM 887 NZ LYS A 55 25.283 19.220 4.666 1.00 0.00 N ATOM 0 H LYS A 55 27.306 14.589 1.269 1.00 0.00 H new ATOM 0 HA LYS A 55 26.814 17.292 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 55 25.726 14.973 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 55 27.178 14.624 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 55 25.778 15.566 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 55 26.730 16.953 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 55 24.828 17.354 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 55 23.876 16.258 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 55 23.363 18.373 5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 55 24.644 17.801 6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 25.666 19.713 5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 26.067 18.849 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 24.722 19.886 4.097 1.00 0.00 H new ATOM 901 N THR A 56 29.649 15.862 3.039 1.00 0.00 N ATOM 902 CA THR A 56 30.976 16.166 3.651 1.00 0.00 C ATOM 903 C THR A 56 31.599 17.394 2.981 1.00 0.00 C ATOM 904 O THR A 56 32.324 18.149 3.598 1.00 0.00 O ATOM 905 CB THR A 56 31.830 14.923 3.392 1.00 0.00 C ATOM 906 OG1 THR A 56 31.121 13.767 3.817 1.00 0.00 O ATOM 907 CG2 THR A 56 33.144 15.032 4.167 1.00 0.00 C ATOM 0 H THR A 56 29.580 14.952 2.583 1.00 0.00 H new ATOM 0 HA THR A 56 30.897 16.390 4.715 1.00 0.00 H new ATOM 0 HB THR A 56 32.046 14.846 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 56 31.666 12.970 3.650 1.00 0.00 H new ATOM 0 HG21 THR A 56 33.751 14.146 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 56 33.687 15.919 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 56 32.932 15.109 5.233 1.00 0.00 H new ATOM 915 N ILE A 57 31.319 17.598 1.719 1.00 0.00 N ATOM 916 CA ILE A 57 31.890 18.778 0.998 1.00 0.00 C ATOM 917 C ILE A 57 33.415 18.811 1.158 1.00 0.00 C ATOM 918 O ILE A 57 33.939 19.425 2.066 1.00 0.00 O ATOM 919 CB ILE A 57 31.251 20.004 1.657 1.00 0.00 C ATOM 920 CG1 ILE A 57 29.727 19.920 1.529 1.00 0.00 C ATOM 921 CG2 ILE A 57 31.744 21.277 0.963 1.00 0.00 C ATOM 922 CD1 ILE A 57 29.075 20.739 2.645 1.00 0.00 C ATOM 0 H ILE A 57 30.718 16.997 1.155 1.00 0.00 H new ATOM 0 HA ILE A 57 31.684 18.743 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 57 31.530 20.030 2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 57 29.412 20.296 0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 57 29.403 18.881 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 57 31.288 22.148 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 57 32.828 21.343 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 57 31.467 21.247 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 57 27.990 20.679 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 57 29.380 20.342 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 57 29.389 21.780 2.564 1.00 0.00 H new ATOM 934 N GLY A 58 34.127 18.155 0.281 1.00 0.00 N ATOM 935 CA GLY A 58 35.615 18.147 0.379 1.00 0.00 C ATOM 936 C GLY A 58 36.204 17.401 -0.820 1.00 0.00 C ATOM 937 O GLY A 58 36.981 17.945 -1.580 1.00 0.00 O ATOM 0 H GLY A 58 33.742 17.624 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 58 35.993 19.169 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 58 35.926 17.667 1.307 1.00 0.00 H new ATOM 941 N ARG A 59 35.842 16.158 -0.992 1.00 0.00 N ATOM 942 CA ARG A 59 36.381 15.373 -2.142 1.00 0.00 C ATOM 943 C ARG A 59 35.246 14.643 -2.864 1.00 0.00 C ATOM 944 O ARG A 59 34.240 14.303 -2.272 1.00 0.00 O ATOM 945 CB ARG A 59 37.353 14.371 -1.516 1.00 0.00 C ATOM 946 CG ARG A 59 38.160 13.678 -2.619 1.00 0.00 C ATOM 947 CD ARG A 59 39.647 13.993 -2.443 1.00 0.00 C ATOM 948 NE ARG A 59 40.210 12.805 -1.744 1.00 0.00 N ATOM 949 CZ ARG A 59 41.265 12.932 -0.985 1.00 0.00 C ATOM 950 NH1 ARG A 59 42.417 13.238 -1.514 1.00 0.00 N ATOM 951 NH2 ARG A 59 41.166 12.755 0.304 1.00 0.00 N ATOM 0 H ARG A 59 35.196 15.651 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 59 36.870 16.007 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 59 38.025 14.883 -0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 59 36.803 13.631 -0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 59 37.999 12.601 -2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 59 37.820 14.015 -3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 59 40.134 14.153 -3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 59 39.792 14.901 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 59 39.771 11.891 -1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 59 42.494 13.378 -2.521 1.00 0.00 H new ATOM 0 HH12 ARG A 59 43.241 13.337 -0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 59 40.265 12.517 0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 59 41.990 12.854 0.897 1.00 0.00 H new ATOM 965 N SER A 60 35.402 14.398 -4.140 1.00 0.00 N ATOM 966 CA SER A 60 34.334 13.688 -4.910 1.00 0.00 C ATOM 967 C SER A 60 32.983 14.385 -4.719 1.00 0.00 C ATOM 968 O SER A 60 32.284 14.035 -3.781 1.00 0.00 O ATOM 969 CB SER A 60 34.296 12.272 -4.331 1.00 0.00 C ATOM 970 OG SER A 60 33.533 11.436 -5.191 1.00 0.00 O ATOM 971 OXT SER A 60 32.670 15.255 -5.515 1.00 0.00 O ATOM 0 H SER A 60 36.224 14.659 -4.684 1.00 0.00 H new ATOM 0 HA SER A 60 34.537 13.684 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 60 35.308 11.881 -4.228 1.00 0.00 H new ATOM 0 HB3 SER A 60 33.857 12.286 -3.334 1.00 0.00 H new ATOM 0 HG SER A 60 33.507 10.527 -4.825 1.00 0.00 H new TER 977 SER A 60