USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 61 SER OG : rot -107:sc= 0.0296 USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.114 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 79:sc= 0.251 USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= -0.0102 (180deg=-0.154) USER MOD Single : A 26 GLN : amide:sc= -1.81! C(o=-1.8!,f=-1.9!) USER MOD Single : A 28 TYR OH : rot -148:sc= 0.697 USER MOD Single : A 31 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 33 GLN : amide:sc= -0.505 K(o=-0.5,f=-2) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.7!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.714 K(o=0.71,f=-10!) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0465) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.563 F(o=-3.5!,f=-0.56) USER MOD Single : A 53 THR OG1 : rot 83:sc= 0.0383 USER MOD Single : A 58 TYR OH : rot -15:sc= -1.47 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 66 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 68 GLN : amide:sc= -0.0765 K(o=-0.077,f=-0.66) USER MOD Single : A 71 SER OG : rot -2:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -6.819 -10.224 -0.288 1.00 0.00 N ATOM 78 CA LYS A 6 -5.407 -10.001 -0.290 1.00 0.00 C ATOM 79 C LYS A 6 -5.131 -8.828 -1.211 1.00 0.00 C ATOM 80 O LYS A 6 -5.560 -8.833 -2.377 1.00 0.00 O ATOM 81 CB LYS A 6 -4.691 -11.262 -0.806 1.00 0.00 C ATOM 82 CG LYS A 6 -4.958 -12.518 0.030 1.00 0.00 C ATOM 83 CD LYS A 6 -4.393 -13.787 -0.618 1.00 0.00 C ATOM 84 CE LYS A 6 -2.875 -13.748 -0.754 1.00 0.00 C ATOM 85 NZ LYS A 6 -2.347 -14.970 -1.412 1.00 0.00 N ATOM 0 HA LYS A 6 -5.043 -9.785 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.003 -11.449 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.618 -11.074 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.518 -12.392 1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.032 -12.634 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.679 -14.653 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.839 -13.917 -1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.585 -12.870 -1.331 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.425 -13.644 0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.312 -14.905 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.602 -15.806 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.757 -15.056 -2.364 1.00 0.00 H new ATOM 99 N LEU A 7 -4.460 -7.835 -0.703 1.00 0.00 N ATOM 100 CA LEU A 7 -4.147 -6.652 -1.462 1.00 0.00 C ATOM 101 C LEU A 7 -2.722 -6.745 -1.962 1.00 0.00 C ATOM 102 O LEU A 7 -1.779 -6.842 -1.176 1.00 0.00 O ATOM 103 CB LEU A 7 -4.326 -5.404 -0.597 1.00 0.00 C ATOM 104 CG LEU A 7 -5.722 -5.189 -0.005 1.00 0.00 C ATOM 105 CD1 LEU A 7 -5.731 -3.970 0.890 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.767 -5.047 -1.108 1.00 0.00 C ATOM 0 H LEU A 7 -4.111 -7.820 0.255 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.825 -6.578 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.609 -5.449 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.070 -4.531 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.977 -6.065 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.730 -3.830 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.018 -4.110 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.452 -3.091 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.750 -4.895 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.518 -4.192 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.780 -5.952 -1.715 1.00 0.00 H new ATOM 118 N VAL A 8 -2.564 -6.739 -3.249 1.00 0.00 N ATOM 119 CA VAL A 8 -1.258 -6.864 -3.841 1.00 0.00 C ATOM 120 C VAL A 8 -0.630 -5.489 -4.024 1.00 0.00 C ATOM 121 O VAL A 8 -1.120 -4.662 -4.789 1.00 0.00 O ATOM 122 CB VAL A 8 -1.324 -7.604 -5.202 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.073 -7.816 -5.775 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.043 -8.938 -5.049 1.00 0.00 C ATOM 0 H VAL A 8 -3.327 -6.648 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.639 -7.454 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.887 -6.982 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.000 -8.337 -6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.555 -6.850 -5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.664 -8.413 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.080 -9.444 -6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.506 -9.561 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.058 -8.765 -4.690 1.00 0.00 H new ATOM 134 N LEU A 9 0.411 -5.251 -3.291 1.00 0.00 N ATOM 135 CA LEU A 9 1.169 -4.040 -3.376 1.00 0.00 C ATOM 136 C LEU A 9 2.314 -4.281 -4.343 1.00 0.00 C ATOM 137 O LEU A 9 3.237 -5.040 -4.036 1.00 0.00 O ATOM 138 CB LEU A 9 1.714 -3.682 -1.975 1.00 0.00 C ATOM 139 CG LEU A 9 2.556 -2.407 -1.850 1.00 0.00 C ATOM 140 CD1 LEU A 9 1.725 -1.185 -2.155 1.00 0.00 C ATOM 141 CD2 LEU A 9 3.162 -2.301 -0.461 1.00 0.00 C ATOM 0 H LEU A 9 0.768 -5.910 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 9 0.552 -3.213 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.866 -3.593 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.317 -4.520 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 9 3.365 -2.462 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.343 -0.292 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.338 -1.252 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.893 -1.127 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.756 -1.390 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.365 -2.272 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.800 -3.165 -0.276 1.00 0.00 H new ATOM 153 N ASP A 10 2.220 -3.717 -5.528 1.00 0.00 N ATOM 154 CA ASP A 10 3.277 -3.866 -6.524 1.00 0.00 C ATOM 155 C ASP A 10 4.418 -2.947 -6.157 1.00 0.00 C ATOM 156 O ASP A 10 4.285 -1.731 -6.234 1.00 0.00 O ATOM 157 CB ASP A 10 2.793 -3.503 -7.927 1.00 0.00 C ATOM 158 CG ASP A 10 3.776 -3.963 -8.992 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.792 -3.293 -9.216 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.544 -5.028 -9.619 1.00 0.00 O ATOM 0 H ASP A 10 1.427 -3.151 -5.831 1.00 0.00 H new ATOM 0 HA ASP A 10 3.591 -4.910 -6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.820 -3.960 -8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.656 -2.424 -7.998 1.00 0.00 H new ATOM 165 N LEU A 11 5.523 -3.516 -5.774 1.00 0.00 N ATOM 166 CA LEU A 11 6.661 -2.755 -5.292 1.00 0.00 C ATOM 167 C LEU A 11 7.419 -2.119 -6.444 1.00 0.00 C ATOM 168 O LEU A 11 8.038 -1.063 -6.289 1.00 0.00 O ATOM 169 CB LEU A 11 7.582 -3.650 -4.469 1.00 0.00 C ATOM 170 CG LEU A 11 6.948 -4.327 -3.250 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.952 -5.232 -2.572 1.00 0.00 C ATOM 172 CD2 LEU A 11 6.421 -3.293 -2.265 1.00 0.00 C ATOM 0 H LEU A 11 5.671 -4.525 -5.783 1.00 0.00 H new ATOM 0 HA LEU A 11 6.291 -1.953 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.982 -4.425 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.428 -3.052 -4.129 1.00 0.00 H new ATOM 0 HG LEU A 11 6.107 -4.928 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.488 -5.707 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.282 -5.998 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.810 -4.644 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.976 -3.800 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.242 -2.661 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.667 -2.676 -2.754 1.00 0.00 H new ATOM 184 N GLU A 12 7.321 -2.731 -7.604 1.00 0.00 N ATOM 185 CA GLU A 12 7.983 -2.230 -8.786 1.00 0.00 C ATOM 186 C GLU A 12 7.332 -0.925 -9.220 1.00 0.00 C ATOM 187 O GLU A 12 8.012 0.074 -9.464 1.00 0.00 O ATOM 188 CB GLU A 12 7.937 -3.277 -9.900 1.00 0.00 C ATOM 189 CG GLU A 12 8.694 -4.556 -9.559 1.00 0.00 C ATOM 190 CD GLU A 12 10.192 -4.347 -9.457 1.00 0.00 C ATOM 191 OE1 GLU A 12 10.684 -3.847 -8.431 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.906 -4.680 -10.418 1.00 0.00 O ATOM 0 H GLU A 12 6.783 -3.585 -7.753 1.00 0.00 H new ATOM 0 HA GLU A 12 9.031 -2.031 -8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.897 -3.525 -10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.355 -2.847 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.322 -4.951 -8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.488 -5.308 -10.321 1.00 0.00 H new ATOM 199 N ARG A 13 6.013 -0.923 -9.272 1.00 0.00 N ATOM 200 CA ARG A 13 5.263 0.280 -9.591 1.00 0.00 C ATOM 201 C ARG A 13 5.330 1.271 -8.459 1.00 0.00 C ATOM 202 O ARG A 13 5.311 2.467 -8.685 1.00 0.00 O ATOM 203 CB ARG A 13 3.803 -0.014 -9.919 1.00 0.00 C ATOM 204 CG ARG A 13 3.587 -0.808 -11.186 1.00 0.00 C ATOM 205 CD ARG A 13 4.214 -0.116 -12.381 1.00 0.00 C ATOM 206 NE ARG A 13 3.840 -0.744 -13.646 1.00 0.00 N ATOM 207 CZ ARG A 13 4.626 -0.830 -14.723 1.00 0.00 C ATOM 208 NH1 ARG A 13 5.912 -0.486 -14.651 1.00 0.00 N ATOM 209 NH2 ARG A 13 4.124 -1.275 -15.864 1.00 0.00 N ATOM 0 H ARG A 13 5.435 -1.745 -9.097 1.00 0.00 H new ATOM 0 HA ARG A 13 5.729 0.706 -10.479 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.360 -0.559 -9.085 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.266 0.931 -10.003 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.017 -1.803 -11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.519 -0.940 -11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.909 0.930 -12.393 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.299 -0.130 -12.278 1.00 0.00 H new ATOM 0 HE ARG A 13 2.906 -1.148 -13.712 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.303 -0.154 -13.769 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.505 -0.555 -15.478 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.143 -1.550 -15.917 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.718 -1.343 -16.690 1.00 0.00 H new ATOM 223 N LEU A 14 5.430 0.765 -7.244 1.00 0.00 N ATOM 224 CA LEU A 14 5.504 1.604 -6.050 1.00 0.00 C ATOM 225 C LEU A 14 6.799 2.429 -6.096 1.00 0.00 C ATOM 226 O LEU A 14 6.835 3.590 -5.687 1.00 0.00 O ATOM 227 CB LEU A 14 5.423 0.713 -4.786 1.00 0.00 C ATOM 228 CG LEU A 14 4.979 1.358 -3.457 1.00 0.00 C ATOM 229 CD1 LEU A 14 6.025 2.285 -2.886 1.00 0.00 C ATOM 230 CD2 LEU A 14 3.661 2.088 -3.646 1.00 0.00 C ATOM 0 H LEU A 14 5.463 -0.236 -7.051 1.00 0.00 H new ATOM 0 HA LEU A 14 4.665 2.299 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.738 -0.107 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.407 0.272 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 14 4.845 0.553 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.662 2.712 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.942 1.727 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.228 3.087 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.357 2.540 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.781 2.867 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.898 1.382 -3.973 1.00 0.00 H new ATOM 242 N ALA A 15 7.843 1.837 -6.648 1.00 0.00 N ATOM 243 CA ALA A 15 9.111 2.523 -6.821 1.00 0.00 C ATOM 244 C ALA A 15 8.987 3.631 -7.873 1.00 0.00 C ATOM 245 O ALA A 15 9.744 4.599 -7.866 1.00 0.00 O ATOM 246 CB ALA A 15 10.198 1.533 -7.208 1.00 0.00 C ATOM 0 H ALA A 15 7.837 0.875 -6.987 1.00 0.00 H new ATOM 0 HA ALA A 15 9.387 2.985 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.143 2.061 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.303 0.783 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.928 1.044 -8.144 1.00 0.00 H new ATOM 252 N THR A 16 8.000 3.496 -8.745 1.00 0.00 N ATOM 253 CA THR A 16 7.752 4.455 -9.799 1.00 0.00 C ATOM 254 C THR A 16 6.800 5.572 -9.283 1.00 0.00 C ATOM 255 O THR A 16 6.505 6.546 -9.982 1.00 0.00 O ATOM 256 CB THR A 16 7.130 3.718 -11.009 1.00 0.00 C ATOM 257 OG1 THR A 16 7.893 2.519 -11.247 1.00 0.00 O ATOM 258 CG2 THR A 16 7.176 4.574 -12.272 1.00 0.00 C ATOM 0 H THR A 16 7.347 2.712 -8.737 1.00 0.00 H new ATOM 0 HA THR A 16 8.687 4.923 -10.108 1.00 0.00 H new ATOM 0 HB THR A 16 6.088 3.496 -10.781 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.631 1.831 -10.601 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.731 4.024 -13.101 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.618 5.496 -12.107 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.212 4.814 -12.511 1.00 0.00 H new ATOM 266 N VAL A 17 6.338 5.421 -8.058 1.00 0.00 N ATOM 267 CA VAL A 17 5.474 6.404 -7.439 1.00 0.00 C ATOM 268 C VAL A 17 6.350 7.386 -6.662 1.00 0.00 C ATOM 269 O VAL A 17 7.301 6.955 -5.994 1.00 0.00 O ATOM 270 CB VAL A 17 4.434 5.737 -6.480 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.532 6.774 -5.813 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.588 4.728 -7.231 1.00 0.00 C ATOM 0 H VAL A 17 6.550 4.617 -7.467 1.00 0.00 H new ATOM 0 HA VAL A 17 4.909 6.921 -8.215 1.00 0.00 H new ATOM 0 HB VAL A 17 4.996 5.226 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.824 6.271 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.141 7.465 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.987 7.327 -6.578 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.870 4.274 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.054 5.230 -8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.231 3.953 -7.649 1.00 0.00 H new ATOM 282 N PRO A 18 6.104 8.711 -6.819 1.00 0.00 N ATOM 283 CA PRO A 18 6.829 9.776 -6.107 1.00 0.00 C ATOM 284 C PRO A 18 7.129 9.447 -4.637 1.00 0.00 C ATOM 285 O PRO A 18 6.210 9.151 -3.837 1.00 0.00 O ATOM 286 CB PRO A 18 5.858 10.944 -6.190 1.00 0.00 C ATOM 287 CG PRO A 18 5.192 10.773 -7.507 1.00 0.00 C ATOM 288 CD PRO A 18 5.112 9.288 -7.759 1.00 0.00 C ATOM 0 HA PRO A 18 7.810 9.954 -6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.137 10.921 -5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.379 11.900 -6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.197 11.219 -7.499 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.758 11.270 -8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.110 8.904 -7.567 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.354 9.045 -8.794 1.00 0.00 H new ATOM 296 N ALA A 19 8.413 9.534 -4.271 1.00 0.00 N ATOM 297 CA ALA A 19 8.883 9.231 -2.916 1.00 0.00 C ATOM 298 C ALA A 19 8.272 10.166 -1.889 1.00 0.00 C ATOM 299 O ALA A 19 8.262 9.867 -0.699 1.00 0.00 O ATOM 300 CB ALA A 19 10.395 9.267 -2.843 1.00 0.00 C ATOM 0 H ALA A 19 9.157 9.817 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 19 8.554 8.219 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.716 9.039 -1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.810 8.529 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.749 10.260 -3.121 1.00 0.00 H new ATOM 306 N GLU A 20 7.750 11.284 -2.372 1.00 0.00 N ATOM 307 CA GLU A 20 7.036 12.260 -1.560 1.00 0.00 C ATOM 308 C GLU A 20 5.920 11.576 -0.766 1.00 0.00 C ATOM 309 O GLU A 20 5.641 11.939 0.381 1.00 0.00 O ATOM 310 CB GLU A 20 6.412 13.356 -2.450 1.00 0.00 C ATOM 311 CG GLU A 20 7.389 14.316 -3.139 1.00 0.00 C ATOM 312 CD GLU A 20 8.402 13.644 -4.027 1.00 0.00 C ATOM 313 OE1 GLU A 20 8.008 12.965 -4.998 1.00 0.00 O ATOM 314 OE2 GLU A 20 9.611 13.801 -3.777 1.00 0.00 O ATOM 0 H GLU A 20 7.812 11.543 -3.357 1.00 0.00 H new ATOM 0 HA GLU A 20 7.752 12.713 -0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.812 12.870 -3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.729 13.945 -1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.819 15.029 -3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.916 14.888 -2.375 1.00 0.00 H new ATOM 321 N LYS A 21 5.288 10.582 -1.375 1.00 0.00 N ATOM 322 CA LYS A 21 4.212 9.870 -0.717 1.00 0.00 C ATOM 323 C LYS A 21 4.534 8.376 -0.564 1.00 0.00 C ATOM 324 O LYS A 21 4.024 7.720 0.339 1.00 0.00 O ATOM 325 CB LYS A 21 2.898 10.040 -1.494 1.00 0.00 C ATOM 326 CG LYS A 21 2.480 11.496 -1.717 1.00 0.00 C ATOM 327 CD LYS A 21 1.124 11.605 -2.404 1.00 0.00 C ATOM 328 CE LYS A 21 -0.007 11.107 -1.513 1.00 0.00 C ATOM 329 NZ LYS A 21 -0.193 11.949 -0.312 1.00 0.00 N ATOM 0 H LYS A 21 5.503 10.255 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 21 4.100 10.299 0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.997 9.550 -2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.102 9.524 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.442 12.013 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.234 12.000 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.939 12.643 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.138 11.028 -3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.934 11.086 -2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.201 10.082 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.097 11.710 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.586 11.779 0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.199 12.952 -0.588 1.00 0.00 H new ATOM 343 N ALA A 22 5.387 7.853 -1.438 1.00 0.00 N ATOM 344 CA ALA A 22 5.688 6.420 -1.450 1.00 0.00 C ATOM 345 C ALA A 22 7.037 6.072 -0.811 1.00 0.00 C ATOM 346 O ALA A 22 7.368 4.890 -0.666 1.00 0.00 O ATOM 347 CB ALA A 22 5.621 5.896 -2.867 1.00 0.00 C ATOM 0 H ALA A 22 5.882 8.395 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 22 4.931 5.933 -0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.846 4.829 -2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.620 6.058 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.349 6.423 -3.484 1.00 0.00 H new ATOM 353 N GLY A 23 7.789 7.084 -0.413 1.00 0.00 N ATOM 354 CA GLY A 23 9.105 6.871 0.202 1.00 0.00 C ATOM 355 C GLY A 23 9.034 6.028 1.469 1.00 0.00 C ATOM 356 O GLY A 23 9.611 4.927 1.513 1.00 0.00 O ATOM 0 H GLY A 23 7.519 8.064 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.763 6.383 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.552 7.837 0.438 1.00 0.00 H new ATOM 360 N PRO A 24 8.323 6.505 2.530 1.00 0.00 N ATOM 361 CA PRO A 24 8.135 5.739 3.773 1.00 0.00 C ATOM 362 C PRO A 24 7.451 4.397 3.510 1.00 0.00 C ATOM 363 O PRO A 24 7.701 3.411 4.196 1.00 0.00 O ATOM 364 CB PRO A 24 7.219 6.637 4.630 1.00 0.00 C ATOM 365 CG PRO A 24 6.654 7.642 3.681 1.00 0.00 C ATOM 366 CD PRO A 24 7.701 7.842 2.630 1.00 0.00 C ATOM 0 HA PRO A 24 9.085 5.505 4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.428 6.055 5.103 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.780 7.122 5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.722 7.285 3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.428 8.578 4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.267 8.158 1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.424 8.604 2.919 1.00 0.00 H new ATOM 374 N LEU A 25 6.638 4.360 2.470 1.00 0.00 N ATOM 375 CA LEU A 25 5.887 3.181 2.104 1.00 0.00 C ATOM 376 C LEU A 25 6.814 2.050 1.652 1.00 0.00 C ATOM 377 O LEU A 25 6.608 0.894 2.025 1.00 0.00 O ATOM 378 CB LEU A 25 4.826 3.545 1.055 1.00 0.00 C ATOM 379 CG LEU A 25 3.940 2.420 0.496 1.00 0.00 C ATOM 380 CD1 LEU A 25 3.328 1.591 1.614 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.831 3.032 -0.333 1.00 0.00 C ATOM 0 H LEU A 25 6.482 5.157 1.852 1.00 0.00 H new ATOM 0 HA LEU A 25 5.362 2.801 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.171 4.299 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.337 4.015 0.215 1.00 0.00 H new ATOM 0 HG LEU A 25 4.560 1.764 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.707 0.804 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.122 1.142 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.715 2.232 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.197 2.241 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.233 3.695 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.264 3.602 -1.155 1.00 0.00 H new ATOM 393 N GLN A 26 7.851 2.380 0.891 1.00 0.00 N ATOM 394 CA GLN A 26 8.847 1.372 0.507 1.00 0.00 C ATOM 395 C GLN A 26 9.559 0.808 1.732 1.00 0.00 C ATOM 396 O GLN A 26 9.878 -0.384 1.790 1.00 0.00 O ATOM 397 CB GLN A 26 9.887 1.913 -0.461 1.00 0.00 C ATOM 398 CG GLN A 26 9.386 2.176 -1.859 1.00 0.00 C ATOM 399 CD GLN A 26 10.508 2.556 -2.791 1.00 0.00 C ATOM 400 OE1 GLN A 26 11.646 2.133 -2.609 1.00 0.00 O ATOM 401 NE2 GLN A 26 10.209 3.331 -3.786 1.00 0.00 N ATOM 0 H GLN A 26 8.028 3.318 0.531 1.00 0.00 H new ATOM 0 HA GLN A 26 8.291 0.581 0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.290 2.841 -0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.713 1.204 -0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.883 1.287 -2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.646 2.976 -1.836 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.252 3.663 -3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.931 3.609 -4.451 1.00 0.00 H new ATOM 410 N ARG A 27 9.799 1.658 2.706 1.00 0.00 N ATOM 411 CA ARG A 27 10.480 1.248 3.929 1.00 0.00 C ATOM 412 C ARG A 27 9.570 0.409 4.795 1.00 0.00 C ATOM 413 O ARG A 27 9.995 -0.597 5.370 1.00 0.00 O ATOM 414 CB ARG A 27 11.040 2.445 4.696 1.00 0.00 C ATOM 415 CG ARG A 27 12.375 2.973 4.167 1.00 0.00 C ATOM 416 CD ARG A 27 12.305 3.441 2.723 1.00 0.00 C ATOM 417 NE ARG A 27 13.631 3.729 2.206 1.00 0.00 N ATOM 418 CZ ARG A 27 14.027 3.579 0.937 1.00 0.00 C ATOM 419 NH1 ARG A 27 13.157 3.256 -0.022 1.00 0.00 N ATOM 420 NH2 ARG A 27 15.294 3.762 0.637 1.00 0.00 N ATOM 0 H ARG A 27 9.534 2.643 2.681 1.00 0.00 H new ATOM 0 HA ARG A 27 11.332 0.631 3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.308 3.252 4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.164 2.164 5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.705 3.801 4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.127 2.189 4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.830 2.674 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.682 4.333 2.656 1.00 0.00 H new ATOM 0 HE ARG A 27 14.323 4.077 2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.173 3.119 0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.476 3.146 -0.984 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.960 4.015 1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.611 3.651 -0.326 1.00 0.00 H new ATOM 434 N TYR A 28 8.317 0.813 4.870 1.00 0.00 N ATOM 435 CA TYR A 28 7.289 0.053 5.559 1.00 0.00 C ATOM 436 C TYR A 28 7.212 -1.341 4.959 1.00 0.00 C ATOM 437 O TYR A 28 7.292 -2.333 5.674 1.00 0.00 O ATOM 438 CB TYR A 28 5.937 0.770 5.431 1.00 0.00 C ATOM 439 CG TYR A 28 4.748 0.013 5.995 1.00 0.00 C ATOM 440 CD1 TYR A 28 4.453 0.047 7.350 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.910 -0.723 5.160 1.00 0.00 C ATOM 442 CE1 TYR A 28 3.362 -0.627 7.859 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.813 -1.394 5.662 1.00 0.00 C ATOM 444 CZ TYR A 28 2.545 -1.340 7.010 1.00 0.00 C ATOM 445 OH TYR A 28 1.457 -2.003 7.515 1.00 0.00 O ATOM 0 H TYR A 28 7.981 1.681 4.453 1.00 0.00 H new ATOM 0 HA TYR A 28 7.537 -0.028 6.617 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.006 1.734 5.935 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.750 0.974 4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.088 0.610 8.018 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.122 -0.769 4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.150 -0.596 8.917 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.170 -1.957 5.001 1.00 0.00 H new ATOM 0 HH TYR A 28 1.293 -2.812 6.987 1.00 0.00 H new ATOM 455 N ALA A 29 7.125 -1.390 3.632 1.00 0.00 N ATOM 456 CA ALA A 29 7.053 -2.637 2.888 1.00 0.00 C ATOM 457 C ALA A 29 8.237 -3.537 3.204 1.00 0.00 C ATOM 458 O ALA A 29 8.057 -4.714 3.491 1.00 0.00 O ATOM 459 CB ALA A 29 6.979 -2.363 1.393 1.00 0.00 C ATOM 0 H ALA A 29 7.103 -0.558 3.042 1.00 0.00 H new ATOM 0 HA ALA A 29 6.145 -3.156 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.926 -3.308 0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.091 -1.770 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.867 -1.815 1.079 1.00 0.00 H new ATOM 465 N ALA A 30 9.438 -2.958 3.207 1.00 0.00 N ATOM 466 CA ALA A 30 10.667 -3.705 3.489 1.00 0.00 C ATOM 467 C ALA A 30 10.645 -4.289 4.899 1.00 0.00 C ATOM 468 O ALA A 30 11.070 -5.426 5.127 1.00 0.00 O ATOM 469 CB ALA A 30 11.880 -2.806 3.309 1.00 0.00 C ATOM 0 H ALA A 30 9.588 -1.967 3.016 1.00 0.00 H new ATOM 0 HA ALA A 30 10.731 -4.533 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.787 -3.372 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.912 -2.440 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.811 -1.961 3.994 1.00 0.00 H new ATOM 475 N THR A 31 10.115 -3.522 5.825 1.00 0.00 N ATOM 476 CA THR A 31 10.022 -3.945 7.200 1.00 0.00 C ATOM 477 C THR A 31 8.986 -5.093 7.318 1.00 0.00 C ATOM 478 O THR A 31 9.241 -6.114 7.971 1.00 0.00 O ATOM 479 CB THR A 31 9.625 -2.747 8.098 1.00 0.00 C ATOM 480 OG1 THR A 31 10.490 -1.628 7.789 1.00 0.00 O ATOM 481 CG2 THR A 31 9.780 -3.098 9.573 1.00 0.00 C ATOM 0 H THR A 31 9.738 -2.591 5.645 1.00 0.00 H new ATOM 0 HA THR A 31 10.991 -4.313 7.536 1.00 0.00 H new ATOM 0 HB THR A 31 8.582 -2.495 7.907 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.138 -1.148 7.011 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.495 -2.241 10.183 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.138 -3.945 9.815 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.818 -3.360 9.778 1.00 0.00 H new ATOM 489 N ILE A 32 7.853 -4.934 6.629 1.00 0.00 N ATOM 490 CA ILE A 32 6.780 -5.937 6.591 1.00 0.00 C ATOM 491 C ILE A 32 7.297 -7.275 6.042 1.00 0.00 C ATOM 492 O ILE A 32 6.935 -8.354 6.549 1.00 0.00 O ATOM 493 CB ILE A 32 5.565 -5.424 5.751 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.895 -4.219 6.435 1.00 0.00 C ATOM 495 CG2 ILE A 32 4.545 -6.519 5.459 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.389 -4.483 7.844 1.00 0.00 C ATOM 0 H ILE A 32 7.651 -4.100 6.077 1.00 0.00 H new ATOM 0 HA ILE A 32 6.439 -6.101 7.613 1.00 0.00 H new ATOM 0 HB ILE A 32 5.964 -5.103 4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.609 -3.396 6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.058 -3.890 5.820 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.724 -6.105 4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.023 -7.321 4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.157 -6.915 6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.934 -3.577 8.243 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.648 -5.282 7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.223 -4.780 8.480 1.00 0.00 H new ATOM 508 N GLN A 33 8.161 -7.192 5.042 1.00 0.00 N ATOM 509 CA GLN A 33 8.797 -8.359 4.445 1.00 0.00 C ATOM 510 C GLN A 33 9.543 -9.172 5.501 1.00 0.00 C ATOM 511 O GLN A 33 9.334 -10.387 5.633 1.00 0.00 O ATOM 512 CB GLN A 33 9.755 -7.920 3.344 1.00 0.00 C ATOM 513 CG GLN A 33 9.063 -7.311 2.141 1.00 0.00 C ATOM 514 CD GLN A 33 10.031 -6.801 1.100 1.00 0.00 C ATOM 515 OE1 GLN A 33 11.139 -6.374 1.411 1.00 0.00 O ATOM 516 NE2 GLN A 33 9.628 -6.851 -0.136 1.00 0.00 N ATOM 0 H GLN A 33 8.443 -6.308 4.618 1.00 0.00 H new ATOM 0 HA GLN A 33 8.022 -8.993 4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.457 -7.194 3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.339 -8.781 3.019 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.410 -8.057 1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.427 -6.490 2.472 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.700 -7.213 -0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.240 -6.529 -0.885 1.00 0.00 H new ATOM 525 N SER A 34 10.357 -8.491 6.283 1.00 0.00 N ATOM 526 CA SER A 34 11.127 -9.118 7.338 1.00 0.00 C ATOM 527 C SER A 34 10.206 -9.663 8.444 1.00 0.00 C ATOM 528 O SER A 34 10.481 -10.706 9.033 1.00 0.00 O ATOM 529 CB SER A 34 12.104 -8.102 7.907 1.00 0.00 C ATOM 530 OG SER A 34 12.853 -7.510 6.853 1.00 0.00 O ATOM 0 H SER A 34 10.503 -7.485 6.204 1.00 0.00 H new ATOM 0 HA SER A 34 11.678 -9.963 6.925 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.563 -7.332 8.457 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.776 -8.587 8.615 1.00 0.00 H new ATOM 0 HG SER A 34 13.480 -6.855 7.225 1.00 0.00 H new ATOM 536 N GLN A 35 9.104 -8.966 8.692 1.00 0.00 N ATOM 537 CA GLN A 35 8.137 -9.370 9.709 1.00 0.00 C ATOM 538 C GLN A 35 7.435 -10.673 9.349 1.00 0.00 C ATOM 539 O GLN A 35 7.126 -11.478 10.227 1.00 0.00 O ATOM 540 CB GLN A 35 7.114 -8.264 9.965 1.00 0.00 C ATOM 541 CG GLN A 35 7.695 -6.992 10.577 1.00 0.00 C ATOM 542 CD GLN A 35 8.206 -7.178 12.000 1.00 0.00 C ATOM 543 OE1 GLN A 35 8.641 -8.259 12.398 1.00 0.00 O ATOM 544 NE2 GLN A 35 8.166 -6.144 12.763 1.00 0.00 N ATOM 0 H GLN A 35 8.855 -8.109 8.198 1.00 0.00 H new ATOM 0 HA GLN A 35 8.699 -9.544 10.627 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.629 -8.010 9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.339 -8.650 10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.513 -6.638 9.950 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.931 -6.215 10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.800 -5.261 12.407 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.500 -6.207 13.725 1.00 0.00 H new ATOM 553 N ARG A 36 7.170 -10.878 8.072 1.00 0.00 N ATOM 554 CA ARG A 36 6.552 -12.125 7.639 1.00 0.00 C ATOM 555 C ARG A 36 7.587 -13.226 7.466 1.00 0.00 C ATOM 556 O ARG A 36 7.272 -14.399 7.599 1.00 0.00 O ATOM 557 CB ARG A 36 5.770 -11.966 6.322 1.00 0.00 C ATOM 558 CG ARG A 36 4.315 -11.491 6.431 1.00 0.00 C ATOM 559 CD ARG A 36 4.148 -10.093 7.000 1.00 0.00 C ATOM 560 NE ARG A 36 2.765 -9.621 6.802 1.00 0.00 N ATOM 561 CZ ARG A 36 2.237 -8.486 7.274 1.00 0.00 C ATOM 562 NH1 ARG A 36 2.877 -7.742 8.149 1.00 0.00 N ATOM 563 NH2 ARG A 36 1.047 -8.114 6.886 1.00 0.00 N ATOM 0 H ARG A 36 7.367 -10.212 7.325 1.00 0.00 H new ATOM 0 HA ARG A 36 5.852 -12.401 8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.310 -11.261 5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.776 -12.926 5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.861 -11.523 5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.763 -12.192 7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.390 -10.094 8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.845 -9.410 6.515 1.00 0.00 H new ATOM 0 HE ARG A 36 2.150 -10.219 6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.798 -8.026 8.483 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.453 -6.881 8.493 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.523 -8.688 6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.641 -7.249 7.244 1.00 0.00 H new ATOM 577 N GLY A 37 8.821 -12.839 7.170 1.00 0.00 N ATOM 578 CA GLY A 37 9.884 -13.818 6.919 1.00 0.00 C ATOM 579 C GLY A 37 9.792 -14.379 5.504 1.00 0.00 C ATOM 580 O GLY A 37 10.584 -15.221 5.083 1.00 0.00 O ATOM 0 H GLY A 37 9.114 -11.865 7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.857 -13.348 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.811 -14.631 7.641 1.00 0.00 H new ATOM 584 N ASP A 38 8.838 -13.870 4.781 1.00 0.00 N ATOM 585 CA ASP A 38 8.518 -14.265 3.431 1.00 0.00 C ATOM 586 C ASP A 38 8.425 -13.001 2.637 1.00 0.00 C ATOM 587 O ASP A 38 7.641 -12.111 2.995 1.00 0.00 O ATOM 588 CB ASP A 38 7.151 -14.979 3.422 1.00 0.00 C ATOM 589 CG ASP A 38 6.657 -15.372 2.037 1.00 0.00 C ATOM 590 OD1 ASP A 38 6.011 -14.544 1.356 1.00 0.00 O ATOM 591 OD2 ASP A 38 6.874 -16.529 1.619 1.00 0.00 O ATOM 0 H ASP A 38 8.228 -13.130 5.130 1.00 0.00 H new ATOM 0 HA ASP A 38 9.267 -14.941 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.219 -15.875 4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.411 -14.328 3.887 1.00 0.00 H new ATOM 596 N TYR A 39 9.217 -12.865 1.612 1.00 0.00 N ATOM 597 CA TYR A 39 9.199 -11.653 0.878 1.00 0.00 C ATOM 598 C TYR A 39 9.279 -11.907 -0.603 1.00 0.00 C ATOM 599 O TYR A 39 9.578 -13.025 -1.052 1.00 0.00 O ATOM 600 CB TYR A 39 10.335 -10.722 1.328 1.00 0.00 C ATOM 601 CG TYR A 39 11.738 -11.111 0.890 1.00 0.00 C ATOM 602 CD1 TYR A 39 12.523 -11.980 1.640 1.00 0.00 C ATOM 603 CD2 TYR A 39 12.278 -10.583 -0.278 1.00 0.00 C ATOM 604 CE1 TYR A 39 13.803 -12.307 1.230 1.00 0.00 C ATOM 605 CE2 TYR A 39 13.545 -10.908 -0.690 1.00 0.00 C ATOM 606 CZ TYR A 39 14.304 -11.767 0.062 1.00 0.00 C ATOM 607 OH TYR A 39 15.571 -12.088 -0.356 1.00 0.00 O ATOM 0 H TYR A 39 9.871 -13.572 1.277 1.00 0.00 H new ATOM 0 HA TYR A 39 8.249 -11.160 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.125 -9.720 0.953 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.320 -10.665 2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.129 -12.404 2.552 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.687 -9.903 -0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.407 -12.981 1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.943 -10.489 -1.603 1.00 0.00 H new ATOM 0 HH TYR A 39 15.766 -11.623 -1.196 1.00 0.00 H new ATOM 617 N ASN A 40 9.012 -10.879 -1.337 1.00 0.00 N ATOM 618 CA ASN A 40 9.082 -10.860 -2.767 1.00 0.00 C ATOM 619 C ASN A 40 9.405 -9.430 -3.149 1.00 0.00 C ATOM 620 O ASN A 40 8.737 -8.506 -2.699 1.00 0.00 O ATOM 621 CB ASN A 40 7.737 -11.297 -3.372 1.00 0.00 C ATOM 622 CG ASN A 40 7.757 -11.365 -4.882 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.490 -10.384 -5.556 1.00 0.00 O ATOM 624 ND2 ASN A 40 8.055 -12.517 -5.418 1.00 0.00 N ATOM 0 H ASN A 40 8.725 -9.984 -0.940 1.00 0.00 H new ATOM 0 HA ASN A 40 9.838 -11.549 -3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.468 -12.276 -2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.961 -10.600 -3.056 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.070 -12.619 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.273 -13.316 -4.822 1.00 0.00 H new ATOM 631 N GLY A 41 10.422 -9.232 -3.931 1.00 0.00 N ATOM 632 CA GLY A 41 10.851 -7.878 -4.242 1.00 0.00 C ATOM 633 C GLY A 41 10.023 -7.221 -5.324 1.00 0.00 C ATOM 634 O GLY A 41 10.256 -6.065 -5.680 1.00 0.00 O ATOM 0 H GLY A 41 10.973 -9.972 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.801 -7.272 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.895 -7.898 -4.555 1.00 0.00 H new ATOM 638 N LYS A 42 9.090 -7.955 -5.871 1.00 0.00 N ATOM 639 CA LYS A 42 8.258 -7.450 -6.935 1.00 0.00 C ATOM 640 C LYS A 42 6.902 -7.012 -6.393 1.00 0.00 C ATOM 641 O LYS A 42 6.422 -5.925 -6.704 1.00 0.00 O ATOM 642 CB LYS A 42 8.093 -8.523 -8.002 1.00 0.00 C ATOM 643 CG LYS A 42 9.416 -9.083 -8.481 1.00 0.00 C ATOM 644 CD LYS A 42 9.222 -10.257 -9.407 1.00 0.00 C ATOM 645 CE LYS A 42 10.548 -10.913 -9.750 1.00 0.00 C ATOM 646 NZ LYS A 42 11.470 -10.005 -10.475 1.00 0.00 N ATOM 0 H LYS A 42 8.885 -8.915 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 42 8.736 -6.578 -7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.483 -9.334 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.552 -8.105 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.977 -8.303 -8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.013 -9.391 -7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.563 -10.988 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.731 -9.925 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.028 -11.253 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.363 -11.798 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.323 -10.529 -10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.996 -9.633 -11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.739 -9.215 -9.854 1.00 0.00 H new ATOM 660 N VAL A 43 6.284 -7.865 -5.591 1.00 0.00 N ATOM 661 CA VAL A 43 4.980 -7.583 -5.004 1.00 0.00 C ATOM 662 C VAL A 43 4.952 -7.965 -3.523 1.00 0.00 C ATOM 663 O VAL A 43 5.749 -8.774 -3.067 1.00 0.00 O ATOM 664 CB VAL A 43 3.814 -8.341 -5.732 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.681 -7.908 -7.185 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.995 -9.858 -5.642 1.00 0.00 C ATOM 0 H VAL A 43 6.670 -8.772 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 43 4.825 -6.510 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 43 2.891 -8.074 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.863 -8.455 -7.654 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.474 -6.839 -7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.610 -8.120 -7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.171 -10.354 -6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.938 -10.140 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.005 -10.162 -4.595 1.00 0.00 H new ATOM 676 N LEU A 44 4.059 -7.365 -2.794 1.00 0.00 N ATOM 677 CA LEU A 44 3.837 -7.672 -1.399 1.00 0.00 C ATOM 678 C LEU A 44 2.339 -7.794 -1.174 1.00 0.00 C ATOM 679 O LEU A 44 1.599 -6.859 -1.431 1.00 0.00 O ATOM 680 CB LEU A 44 4.428 -6.561 -0.508 1.00 0.00 C ATOM 681 CG LEU A 44 4.200 -6.690 1.010 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.837 -7.950 1.573 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.725 -5.462 1.730 1.00 0.00 C ATOM 0 H LEU A 44 3.448 -6.632 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 44 4.330 -8.608 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.502 -6.518 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.012 -5.608 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 44 3.125 -6.766 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.653 -8.003 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.404 -8.825 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.911 -7.928 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.556 -5.569 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.793 -5.357 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.203 -4.577 1.367 1.00 0.00 H new ATOM 695 N SER A 45 1.885 -8.940 -0.753 1.00 0.00 N ATOM 696 CA SER A 45 0.476 -9.126 -0.525 1.00 0.00 C ATOM 697 C SER A 45 0.122 -8.810 0.927 1.00 0.00 C ATOM 698 O SER A 45 0.387 -9.610 1.835 1.00 0.00 O ATOM 699 CB SER A 45 0.075 -10.549 -0.888 1.00 0.00 C ATOM 700 OG SER A 45 0.493 -10.860 -2.212 1.00 0.00 O ATOM 0 H SER A 45 2.464 -9.757 -0.561 1.00 0.00 H new ATOM 0 HA SER A 45 -0.080 -8.438 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.523 -11.251 -0.184 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.006 -10.661 -0.805 1.00 0.00 H new ATOM 0 HG SER A 45 0.230 -11.778 -2.431 1.00 0.00 H new ATOM 706 N ILE A 46 -0.441 -7.653 1.143 1.00 0.00 N ATOM 707 CA ILE A 46 -0.849 -7.227 2.460 1.00 0.00 C ATOM 708 C ILE A 46 -2.345 -7.410 2.593 1.00 0.00 C ATOM 709 O ILE A 46 -3.025 -7.711 1.614 1.00 0.00 O ATOM 710 CB ILE A 46 -0.477 -5.741 2.752 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.103 -4.795 1.702 1.00 0.00 C ATOM 712 CG2 ILE A 46 1.034 -5.570 2.819 1.00 0.00 C ATOM 713 CD1 ILE A 46 -0.842 -3.320 1.953 1.00 0.00 C ATOM 0 H ILE A 46 -0.632 -6.972 0.408 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.316 -7.839 3.187 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.890 -5.471 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.716 -5.058 0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.180 -4.962 1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.273 -4.526 3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.436 -6.197 3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.476 -5.864 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.316 -2.728 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.254 -3.037 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.232 -3.135 1.948 1.00 0.00 H new ATOM 725 N ARG A 47 -2.852 -7.291 3.774 1.00 0.00 N ATOM 726 CA ARG A 47 -4.269 -7.398 3.971 1.00 0.00 C ATOM 727 C ARG A 47 -4.830 -6.055 4.392 1.00 0.00 C ATOM 728 O ARG A 47 -4.073 -5.109 4.612 1.00 0.00 O ATOM 729 CB ARG A 47 -4.606 -8.446 5.005 1.00 0.00 C ATOM 730 CG ARG A 47 -4.081 -9.831 4.707 1.00 0.00 C ATOM 731 CD ARG A 47 -4.664 -10.810 5.688 1.00 0.00 C ATOM 732 NE ARG A 47 -4.098 -12.153 5.557 1.00 0.00 N ATOM 733 CZ ARG A 47 -4.791 -13.295 5.672 1.00 0.00 C ATOM 734 NH1 ARG A 47 -6.122 -13.270 5.763 1.00 0.00 N ATOM 735 NH2 ARG A 47 -4.150 -14.460 5.666 1.00 0.00 N ATOM 0 H ARG A 47 -2.311 -7.119 4.622 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.720 -7.704 3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.211 -8.124 5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.690 -8.499 5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.343 -10.120 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.993 -9.841 4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.493 -10.447 6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.743 -10.861 5.545 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.099 -12.226 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.618 -12.379 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.644 -14.142 5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.134 -14.483 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.674 -15.331 5.753 1.00 0.00 H new ATOM 749 N GLN A 48 -6.131 -5.988 4.551 1.00 0.00 N ATOM 750 CA GLN A 48 -6.833 -4.769 4.969 1.00 0.00 C ATOM 751 C GLN A 48 -6.407 -4.378 6.367 1.00 0.00 C ATOM 752 O GLN A 48 -6.235 -3.203 6.673 1.00 0.00 O ATOM 753 CB GLN A 48 -8.370 -4.947 4.919 1.00 0.00 C ATOM 754 CG GLN A 48 -8.948 -5.143 3.514 1.00 0.00 C ATOM 755 CD GLN A 48 -8.513 -6.434 2.825 1.00 0.00 C ATOM 756 OE1 GLN A 48 -8.350 -7.514 3.575 1.00 0.00 O flip ATOM 757 NE2 GLN A 48 -8.368 -6.470 1.626 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.752 -6.782 4.395 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.565 -3.977 4.270 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.642 -5.806 5.532 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.838 -4.072 5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.036 -5.129 3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.654 -4.297 2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.499 -5.624 1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.114 -7.346 1.169 1.00 0.00 H new ATOM 766 N ASP A 49 -6.193 -5.380 7.192 1.00 0.00 N ATOM 767 CA ASP A 49 -5.737 -5.189 8.565 1.00 0.00 C ATOM 768 C ASP A 49 -4.336 -4.604 8.593 1.00 0.00 C ATOM 769 O ASP A 49 -3.969 -3.911 9.530 1.00 0.00 O ATOM 770 CB ASP A 49 -5.785 -6.504 9.381 1.00 0.00 C ATOM 771 CG ASP A 49 -4.906 -7.619 8.824 1.00 0.00 C ATOM 772 OD1 ASP A 49 -3.701 -7.664 9.119 1.00 0.00 O ATOM 773 OD2 ASP A 49 -5.423 -8.475 8.082 1.00 0.00 O ATOM 0 H ASP A 49 -6.329 -6.358 6.934 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.423 -4.484 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.479 -6.294 10.406 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.816 -6.856 9.422 1.00 0.00 H new ATOM 778 N ASP A 50 -3.575 -4.854 7.557 1.00 0.00 N ATOM 779 CA ASP A 50 -2.226 -4.339 7.496 1.00 0.00 C ATOM 780 C ASP A 50 -2.258 -2.948 6.893 1.00 0.00 C ATOM 781 O ASP A 50 -1.587 -2.037 7.361 1.00 0.00 O ATOM 782 CB ASP A 50 -1.338 -5.248 6.672 1.00 0.00 C ATOM 783 CG ASP A 50 0.115 -5.007 6.960 1.00 0.00 C ATOM 784 OD1 ASP A 50 0.643 -5.663 7.905 1.00 0.00 O ATOM 785 OD2 ASP A 50 0.740 -4.192 6.294 1.00 0.00 O ATOM 0 H ASP A 50 -3.862 -5.407 6.749 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.813 -4.295 8.504 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.584 -6.288 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.532 -5.084 5.612 1.00 0.00 H new ATOM 790 N LEU A 51 -3.113 -2.794 5.879 1.00 0.00 N ATOM 791 CA LEU A 51 -3.345 -1.526 5.172 1.00 0.00 C ATOM 792 C LEU A 51 -3.738 -0.422 6.169 1.00 0.00 C ATOM 793 O LEU A 51 -3.396 0.753 6.002 1.00 0.00 O ATOM 794 CB LEU A 51 -4.489 -1.723 4.166 1.00 0.00 C ATOM 795 CG LEU A 51 -4.770 -0.567 3.207 1.00 0.00 C ATOM 796 CD1 LEU A 51 -3.684 -0.471 2.148 1.00 0.00 C ATOM 797 CD2 LEU A 51 -6.139 -0.714 2.571 1.00 0.00 C ATOM 0 H LEU A 51 -3.677 -3.563 5.516 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.431 -1.230 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.271 -2.611 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.401 -1.930 4.725 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.765 0.360 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.904 0.358 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.720 -0.303 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.648 -1.400 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.316 0.120 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.183 -1.650 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.903 -0.718 3.349 1.00 0.00 H new ATOM 809 N ARG A 52 -4.447 -0.829 7.212 1.00 0.00 N ATOM 810 CA ARG A 52 -4.881 0.057 8.279 1.00 0.00 C ATOM 811 C ARG A 52 -3.712 0.716 9.008 1.00 0.00 C ATOM 812 O ARG A 52 -3.846 1.826 9.503 1.00 0.00 O ATOM 813 CB ARG A 52 -5.784 -0.682 9.258 1.00 0.00 C ATOM 814 CG ARG A 52 -7.179 -0.961 8.713 1.00 0.00 C ATOM 815 CD ARG A 52 -7.958 -1.872 9.636 1.00 0.00 C ATOM 816 NE ARG A 52 -8.028 -1.361 11.006 1.00 0.00 N ATOM 817 CZ ARG A 52 -8.195 -2.123 12.090 1.00 0.00 C ATOM 818 NH1 ARG A 52 -8.412 -3.437 11.958 1.00 0.00 N ATOM 819 NH2 ARG A 52 -8.184 -1.572 13.297 1.00 0.00 N ATOM 0 H ARG A 52 -4.740 -1.797 7.341 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.451 0.860 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.314 -1.627 9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.871 -0.095 10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.717 -0.021 8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.102 -1.419 7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.969 -1.998 9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.494 -2.858 9.644 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.943 -0.354 11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.450 -3.857 11.029 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.539 -4.019 12.786 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.048 -0.566 13.397 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.312 -2.154 14.125 1.00 0.00 H new ATOM 833 N THR A 53 -2.568 0.055 9.035 1.00 0.00 N ATOM 834 CA THR A 53 -1.401 0.608 9.679 1.00 0.00 C ATOM 835 C THR A 53 -0.909 1.829 8.884 1.00 0.00 C ATOM 836 O THR A 53 -0.561 2.861 9.460 1.00 0.00 O ATOM 837 CB THR A 53 -0.288 -0.451 9.781 1.00 0.00 C ATOM 838 OG1 THR A 53 -0.843 -1.660 10.340 1.00 0.00 O ATOM 839 CG2 THR A 53 0.845 0.034 10.681 1.00 0.00 C ATOM 0 H THR A 53 -2.427 -0.865 8.617 1.00 0.00 H new ATOM 0 HA THR A 53 -1.665 0.920 10.690 1.00 0.00 H new ATOM 0 HB THR A 53 0.112 -0.635 8.784 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.274 -2.180 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.619 -0.732 10.737 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.270 0.950 10.270 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.457 0.231 11.680 1.00 0.00 H new ATOM 847 N LEU A 54 -0.966 1.723 7.553 1.00 0.00 N ATOM 848 CA LEU A 54 -0.566 2.811 6.654 1.00 0.00 C ATOM 849 C LEU A 54 -1.434 4.023 6.870 1.00 0.00 C ATOM 850 O LEU A 54 -0.952 5.163 6.839 1.00 0.00 O ATOM 851 CB LEU A 54 -0.667 2.371 5.198 1.00 0.00 C ATOM 852 CG LEU A 54 0.323 1.313 4.753 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.035 0.886 3.325 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.728 1.858 4.864 1.00 0.00 C ATOM 0 H LEU A 54 -1.289 0.885 7.070 1.00 0.00 H new ATOM 0 HA LEU A 54 0.469 3.066 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.675 1.994 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.540 3.249 4.564 1.00 0.00 H new ATOM 0 HG LEU A 54 0.225 0.439 5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.754 0.126 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.973 0.476 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.117 1.749 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.440 1.097 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.828 2.738 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.931 2.132 5.899 1.00 0.00 H new ATOM 866 N ALA A 55 -2.699 3.767 7.120 1.00 0.00 N ATOM 867 CA ALA A 55 -3.670 4.804 7.371 1.00 0.00 C ATOM 868 C ALA A 55 -3.266 5.619 8.592 1.00 0.00 C ATOM 869 O ALA A 55 -3.319 6.850 8.582 1.00 0.00 O ATOM 870 CB ALA A 55 -5.048 4.186 7.561 1.00 0.00 C ATOM 0 H ALA A 55 -3.084 2.823 7.155 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.708 5.476 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.777 4.974 7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.329 3.640 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.026 3.501 8.409 1.00 0.00 H new ATOM 876 N VAL A 56 -2.760 4.933 9.600 1.00 0.00 N ATOM 877 CA VAL A 56 -2.374 5.571 10.835 1.00 0.00 C ATOM 878 C VAL A 56 -1.091 6.394 10.622 1.00 0.00 C ATOM 879 O VAL A 56 -0.927 7.474 11.205 1.00 0.00 O ATOM 880 CB VAL A 56 -2.176 4.527 11.978 1.00 0.00 C ATOM 881 CG1 VAL A 56 -1.865 5.207 13.299 1.00 0.00 C ATOM 882 CG2 VAL A 56 -3.413 3.652 12.128 1.00 0.00 C ATOM 0 H VAL A 56 -2.608 3.925 9.582 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.179 6.240 11.139 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.327 3.900 11.705 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.733 4.452 14.074 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.950 5.791 13.201 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.689 5.867 13.571 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.254 2.931 12.930 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.274 4.277 12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.598 3.121 11.194 1.00 0.00 H new ATOM 892 N ILE A 57 -0.221 5.910 9.738 1.00 0.00 N ATOM 893 CA ILE A 57 1.043 6.594 9.444 1.00 0.00 C ATOM 894 C ILE A 57 0.786 7.897 8.698 1.00 0.00 C ATOM 895 O ILE A 57 1.297 8.952 9.075 1.00 0.00 O ATOM 896 CB ILE A 57 2.010 5.732 8.570 1.00 0.00 C ATOM 897 CG1 ILE A 57 2.180 4.340 9.168 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.375 6.426 8.445 1.00 0.00 C ATOM 899 CD1 ILE A 57 3.134 3.436 8.402 1.00 0.00 C ATOM 0 H ILE A 57 -0.365 5.048 9.212 1.00 0.00 H new ATOM 0 HA ILE A 57 1.512 6.779 10.411 1.00 0.00 H new ATOM 0 HB ILE A 57 1.575 5.629 7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.538 4.440 10.193 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.204 3.858 9.217 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.039 5.815 7.834 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.246 7.402 7.976 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.810 6.554 9.436 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.194 2.467 8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.769 3.301 7.384 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.124 3.892 8.375 1.00 0.00 H new ATOM 911 N TYR A 58 -0.035 7.827 7.665 1.00 0.00 N ATOM 912 CA TYR A 58 -0.249 8.989 6.797 1.00 0.00 C ATOM 913 C TYR A 58 -1.372 9.873 7.320 1.00 0.00 C ATOM 914 O TYR A 58 -1.678 10.913 6.729 1.00 0.00 O ATOM 915 CB TYR A 58 -0.538 8.562 5.350 1.00 0.00 C ATOM 916 CG TYR A 58 0.419 7.516 4.800 1.00 0.00 C ATOM 917 CD1 TYR A 58 1.780 7.517 5.116 1.00 0.00 C ATOM 918 CD2 TYR A 58 -0.056 6.501 3.997 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.620 6.534 4.633 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.775 5.521 3.518 1.00 0.00 C ATOM 921 CZ TYR A 58 2.107 5.541 3.840 1.00 0.00 C ATOM 922 OH TYR A 58 2.929 4.566 3.361 1.00 0.00 O ATOM 0 H TYR A 58 -0.561 6.994 7.403 1.00 0.00 H new ATOM 0 HA TYR A 58 0.674 9.569 6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.554 8.171 5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.501 9.443 4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.180 8.297 5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.105 6.477 3.740 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.672 6.547 4.878 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.381 4.736 2.889 1.00 0.00 H new ATOM 0 HH TYR A 58 3.863 4.844 3.466 1.00 0.00 H new ATOM 932 N ASP A 59 -1.985 9.439 8.429 1.00 0.00 N ATOM 933 CA ASP A 59 -3.055 10.166 9.140 1.00 0.00 C ATOM 934 C ASP A 59 -4.321 10.212 8.296 1.00 0.00 C ATOM 935 O ASP A 59 -5.163 11.103 8.456 1.00 0.00 O ATOM 936 CB ASP A 59 -2.622 11.605 9.517 1.00 0.00 C ATOM 937 CG ASP A 59 -1.305 11.675 10.255 1.00 0.00 C ATOM 938 OD1 ASP A 59 -1.258 11.382 11.472 1.00 0.00 O ATOM 939 OD2 ASP A 59 -0.281 11.995 9.626 1.00 0.00 O ATOM 0 H ASP A 59 -1.748 8.551 8.871 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.256 9.623 10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.550 12.202 8.608 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.398 12.057 10.135 1.00 0.00 H new ATOM 944 N GLN A 60 -4.487 9.219 7.457 1.00 0.00 N ATOM 945 CA GLN A 60 -5.597 9.159 6.530 1.00 0.00 C ATOM 946 C GLN A 60 -6.507 7.999 6.881 1.00 0.00 C ATOM 947 O GLN A 60 -6.130 7.131 7.647 1.00 0.00 O ATOM 948 CB GLN A 60 -5.090 9.018 5.093 1.00 0.00 C ATOM 949 CG GLN A 60 -4.274 10.205 4.609 1.00 0.00 C ATOM 950 CD GLN A 60 -3.761 10.041 3.194 1.00 0.00 C ATOM 951 OE1 GLN A 60 -3.486 8.932 2.732 1.00 0.00 O ATOM 952 NE2 GLN A 60 -3.632 11.131 2.496 1.00 0.00 N ATOM 0 H GLN A 60 -3.853 8.423 7.396 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.163 10.087 6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.481 8.117 5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.943 8.881 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.886 11.105 4.664 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.428 10.354 5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.869 12.033 2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.294 11.084 1.535 1.00 0.00 H new ATOM 961 N SER A 61 -7.690 7.994 6.330 1.00 0.00 N ATOM 962 CA SER A 61 -8.640 6.941 6.580 1.00 0.00 C ATOM 963 C SER A 61 -8.458 5.835 5.527 1.00 0.00 C ATOM 964 O SER A 61 -8.121 6.133 4.369 1.00 0.00 O ATOM 965 CB SER A 61 -10.070 7.523 6.535 1.00 0.00 C ATOM 966 OG SER A 61 -11.062 6.544 6.829 1.00 0.00 O ATOM 0 H SER A 61 -8.024 8.719 5.695 1.00 0.00 H new ATOM 0 HA SER A 61 -8.476 6.509 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.149 8.343 7.249 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.258 7.942 5.547 1.00 0.00 H new ATOM 0 HG SER A 61 -11.535 6.300 6.006 1.00 0.00 H new ATOM 972 N PRO A 62 -8.647 4.541 5.922 1.00 0.00 N ATOM 973 CA PRO A 62 -8.542 3.372 5.022 1.00 0.00 C ATOM 974 C PRO A 62 -9.287 3.538 3.681 1.00 0.00 C ATOM 975 O PRO A 62 -8.865 2.982 2.664 1.00 0.00 O ATOM 976 CB PRO A 62 -9.180 2.248 5.837 1.00 0.00 C ATOM 977 CG PRO A 62 -8.888 2.607 7.248 1.00 0.00 C ATOM 978 CD PRO A 62 -8.927 4.113 7.318 1.00 0.00 C ATOM 0 HA PRO A 62 -7.506 3.199 4.731 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.253 2.185 5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.756 1.278 5.577 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.624 2.167 7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.912 2.229 7.552 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.898 4.472 7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.181 4.501 8.012 1.00 0.00 H new ATOM 986 N SER A 63 -10.364 4.311 3.683 1.00 0.00 N ATOM 987 CA SER A 63 -11.146 4.556 2.491 1.00 0.00 C ATOM 988 C SER A 63 -10.295 5.222 1.396 1.00 0.00 C ATOM 989 O SER A 63 -10.094 4.647 0.309 1.00 0.00 O ATOM 990 CB SER A 63 -12.339 5.426 2.881 1.00 0.00 C ATOM 991 OG SER A 63 -11.919 6.458 3.778 1.00 0.00 O ATOM 0 H SER A 63 -10.716 4.784 4.515 1.00 0.00 H new ATOM 0 HA SER A 63 -11.500 3.613 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.785 5.867 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.108 4.814 3.352 1.00 0.00 H new ATOM 0 HG SER A 63 -12.689 7.013 4.022 1.00 0.00 H new ATOM 997 N VAL A 64 -9.719 6.370 1.729 1.00 0.00 N ATOM 998 CA VAL A 64 -8.888 7.119 0.798 1.00 0.00 C ATOM 999 C VAL A 64 -7.527 6.448 0.647 1.00 0.00 C ATOM 1000 O VAL A 64 -6.884 6.549 -0.394 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.734 8.626 1.218 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -8.030 8.789 2.555 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -8.039 9.443 0.137 1.00 0.00 C ATOM 0 H VAL A 64 -9.814 6.805 2.647 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.390 7.114 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.746 9.014 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.950 9.849 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.602 8.281 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.032 8.354 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.951 10.479 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.045 9.034 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.623 9.401 -0.783 1.00 0.00 H new ATOM 1013 N LEU A 65 -7.124 5.718 1.680 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.854 5.007 1.694 1.00 0.00 C ATOM 1015 C LEU A 65 -5.866 3.957 0.568 1.00 0.00 C ATOM 1016 O LEU A 65 -4.915 3.842 -0.194 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.655 4.343 3.077 1.00 0.00 C ATOM 1018 CG LEU A 65 -4.213 4.052 3.558 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.473 3.087 2.656 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.433 5.340 3.706 1.00 0.00 C ATOM 0 H LEU A 65 -7.671 5.603 2.533 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.025 5.694 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.130 4.981 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.199 3.399 3.072 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.300 3.568 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.468 2.923 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.008 2.138 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.409 3.504 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.422 5.116 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.389 5.851 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.926 5.982 4.436 1.00 0.00 H new ATOM 1032 N THR A 66 -6.971 3.244 0.446 1.00 0.00 N ATOM 1033 CA THR A 66 -7.130 2.253 -0.607 1.00 0.00 C ATOM 1034 C THR A 66 -7.128 2.949 -1.987 1.00 0.00 C ATOM 1035 O THR A 66 -6.496 2.470 -2.947 1.00 0.00 O ATOM 1036 CB THR A 66 -8.449 1.469 -0.413 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.496 0.952 0.924 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.554 0.306 -1.397 1.00 0.00 C ATOM 0 H THR A 66 -7.776 3.332 1.066 1.00 0.00 H new ATOM 0 HA THR A 66 -6.297 1.552 -0.558 1.00 0.00 H new ATOM 0 HB THR A 66 -9.281 2.150 -0.593 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.905 1.616 1.517 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.492 -0.225 -1.234 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.526 0.689 -2.417 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.719 -0.378 -1.243 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.774 4.125 -2.049 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.869 4.900 -3.282 1.00 0.00 C ATOM 1048 C GLU A 67 -6.483 5.315 -3.758 1.00 0.00 C ATOM 1049 O GLU A 67 -6.222 5.325 -4.954 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.755 6.139 -3.100 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.167 5.834 -2.633 1.00 0.00 C ATOM 1052 CD GLU A 67 -11.023 7.068 -2.503 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -10.693 7.962 -1.707 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -12.061 7.161 -3.174 1.00 0.00 O ATOM 0 H GLU A 67 -8.239 4.556 -1.250 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.330 4.263 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.283 6.806 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.806 6.677 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.636 5.146 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.124 5.325 -1.670 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.592 5.616 -2.800 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.214 6.004 -3.069 1.00 0.00 C ATOM 1063 C GLN A 68 -3.535 4.997 -3.985 1.00 0.00 C ATOM 1064 O GLN A 68 -3.169 5.324 -5.116 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.421 6.095 -1.761 1.00 0.00 C ATOM 1066 CG GLN A 68 -3.852 7.193 -0.806 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.647 8.572 -1.374 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -2.587 9.167 -1.212 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -4.640 9.095 -2.019 1.00 0.00 N ATOM 0 H GLN A 68 -5.820 5.594 -1.806 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.234 6.978 -3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.497 5.138 -1.244 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.369 6.243 -2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.905 7.060 -0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.291 7.101 0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.507 8.570 -2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.556 10.032 -2.412 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.445 3.758 -3.523 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.776 2.695 -4.263 1.00 0.00 C ATOM 1080 C LEU A 69 -3.413 2.466 -5.633 1.00 0.00 C ATOM 1081 O LEU A 69 -2.712 2.181 -6.617 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.732 1.377 -3.465 1.00 0.00 C ATOM 1083 CG LEU A 69 -1.816 1.305 -2.220 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.387 1.663 -2.566 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -2.323 2.152 -1.062 1.00 0.00 C ATOM 0 H LEU A 69 -3.832 3.461 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.750 3.029 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.748 1.148 -3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.428 0.584 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.840 0.268 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.230 1.603 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.009 0.967 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.352 2.677 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.639 2.061 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.380 3.195 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.314 1.807 -0.765 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.720 2.610 -5.702 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.437 2.465 -6.957 1.00 0.00 C ATOM 1099 C ILE A 70 -5.071 3.616 -7.916 1.00 0.00 C ATOM 1100 O ILE A 70 -4.683 3.380 -9.068 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.981 2.412 -6.734 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.344 1.209 -5.843 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.722 2.333 -8.074 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.815 1.119 -5.475 1.00 0.00 C ATOM 0 H ILE A 70 -5.312 2.828 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.136 1.518 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.291 3.328 -6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.054 0.292 -6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.756 1.261 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.796 2.297 -7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.484 3.211 -8.674 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.413 1.434 -8.608 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.980 0.243 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.109 2.016 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.412 1.033 -6.383 1.00 0.00 H new ATOM 1116 N SER A 71 -5.132 4.846 -7.417 1.00 0.00 N ATOM 1117 CA SER A 71 -4.835 6.025 -8.218 1.00 0.00 C ATOM 1118 C SER A 71 -3.371 6.075 -8.682 1.00 0.00 C ATOM 1119 O SER A 71 -3.077 6.563 -9.779 1.00 0.00 O ATOM 1120 CB SER A 71 -5.245 7.315 -7.479 1.00 0.00 C ATOM 1121 OG SER A 71 -4.662 7.406 -6.175 1.00 0.00 O ATOM 0 H SER A 71 -5.387 5.052 -6.451 1.00 0.00 H new ATOM 0 HA SER A 71 -5.437 5.951 -9.124 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.944 8.180 -8.070 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.331 7.351 -7.392 1.00 0.00 H new ATOM 0 HG SER A 71 -4.137 6.599 -5.994 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.460 5.545 -7.873 1.00 0.00 N ATOM 1128 CA TRP A 72 -1.045 5.539 -8.238 1.00 0.00 C ATOM 1129 C TRP A 72 -0.746 4.459 -9.272 1.00 0.00 C ATOM 1130 O TRP A 72 0.298 4.492 -9.935 1.00 0.00 O ATOM 1131 CB TRP A 72 -0.149 5.319 -7.022 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.273 6.345 -5.938 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.648 7.657 -6.059 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.023 6.139 -4.559 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.630 8.258 -4.826 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.215 7.348 -3.891 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.457 5.039 -3.828 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 -0.026 7.487 -2.522 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.644 5.178 -2.467 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.400 6.393 -1.826 1.00 0.00 C ATOM 0 H TRP A 72 -2.670 5.118 -6.971 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.831 6.519 -8.664 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.373 4.340 -6.599 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.888 5.292 -7.356 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.917 8.144 -6.985 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.885 9.227 -4.636 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.644 4.094 -4.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.210 8.428 -2.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.985 4.332 -1.889 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.551 6.469 -0.759 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.655 3.520 -9.410 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.479 2.453 -10.367 1.00 0.00 C ATOM 1153 C GLY A 73 -0.689 1.304 -9.781 1.00 0.00 C ATOM 1154 O GLY A 73 0.115 0.671 -10.465 1.00 0.00 O ATOM 0 H GLY A 73 -2.521 3.474 -8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.454 2.094 -10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.966 2.836 -11.249 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.886 1.074 -8.506 1.00 0.00 N ATOM 1159 CA VAL A 74 -0.208 0.003 -7.799 1.00 0.00 C ATOM 1160 C VAL A 74 -1.205 -1.106 -7.471 1.00 0.00 C ATOM 1161 O VAL A 74 -0.897 -2.297 -7.586 1.00 0.00 O ATOM 1162 CB VAL A 74 0.430 0.544 -6.487 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.172 -0.544 -5.746 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.363 1.709 -6.783 1.00 0.00 C ATOM 0 H VAL A 74 -1.520 1.622 -7.924 1.00 0.00 H new ATOM 0 HA VAL A 74 0.582 -0.397 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.380 0.896 -5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.606 -0.133 -4.834 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.480 -1.346 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.966 -0.939 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.798 2.072 -5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.158 1.378 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.802 2.513 -7.259 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.399 -0.710 -7.098 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.427 -1.645 -6.718 1.00 0.00 C ATOM 1176 C LEU A 75 -4.556 -1.604 -7.735 1.00 0.00 C ATOM 1177 O LEU A 75 -4.782 -0.569 -8.387 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.950 -1.296 -5.316 1.00 0.00 C ATOM 1179 CG LEU A 75 -5.009 -2.221 -4.703 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.449 -3.621 -4.484 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.530 -1.638 -3.398 1.00 0.00 C ATOM 0 H LEU A 75 -2.683 0.268 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.014 -2.654 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.098 -1.265 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.365 -0.289 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.841 -2.299 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.220 -4.257 -4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.130 -4.039 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.596 -3.570 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.281 -2.306 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.705 -1.527 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.978 -0.663 -3.588 1.00 0.00 H new ATOM 1193 N ASP A 76 -5.247 -2.717 -7.876 1.00 0.00 N ATOM 1194 CA ASP A 76 -6.355 -2.836 -8.808 1.00 0.00 C ATOM 1195 C ASP A 76 -7.610 -2.175 -8.256 1.00 0.00 C ATOM 1196 O ASP A 76 -7.833 -2.167 -7.041 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.629 -4.305 -9.148 1.00 0.00 C ATOM 1198 CG ASP A 76 -7.835 -4.473 -10.045 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -7.821 -3.946 -11.171 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -8.832 -5.093 -9.615 1.00 0.00 O ATOM 0 H ASP A 76 -5.057 -3.568 -7.347 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.073 -2.318 -9.725 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.753 -4.731 -9.637 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.784 -4.866 -8.226 1.00 0.00 H new ATOM 1205 N ALA A 77 -8.419 -1.647 -9.154 1.00 0.00 N ATOM 1206 CA ALA A 77 -9.633 -0.930 -8.817 1.00 0.00 C ATOM 1207 C ALA A 77 -10.613 -1.775 -7.998 1.00 0.00 C ATOM 1208 O ALA A 77 -11.067 -1.341 -6.958 1.00 0.00 O ATOM 1209 CB ALA A 77 -10.306 -0.409 -10.081 1.00 0.00 C ATOM 0 H ALA A 77 -8.247 -1.706 -10.158 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.342 -0.089 -8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.216 0.127 -9.814 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.627 0.266 -10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.556 -1.247 -10.732 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.876 -3.003 -8.441 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.886 -3.881 -7.796 1.00 0.00 C ATOM 1217 C ASP A 78 -11.550 -4.213 -6.346 1.00 0.00 C ATOM 1218 O ASP A 78 -12.452 -4.467 -5.544 1.00 0.00 O ATOM 1219 CB ASP A 78 -12.134 -5.174 -8.597 1.00 0.00 C ATOM 1220 CG ASP A 78 -13.190 -6.093 -7.963 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -14.422 -5.855 -8.146 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -12.812 -7.073 -7.275 1.00 0.00 O ATOM 0 H ASP A 78 -10.410 -3.425 -9.244 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.808 -3.300 -7.792 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.451 -4.912 -9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.196 -5.721 -8.689 1.00 0.00 H new ATOM 1227 N ALA A 79 -10.267 -4.122 -5.995 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.771 -4.419 -4.635 1.00 0.00 C ATOM 1229 C ALA A 79 -10.487 -3.579 -3.574 1.00 0.00 C ATOM 1230 O ALA A 79 -10.593 -3.982 -2.417 1.00 0.00 O ATOM 1231 CB ALA A 79 -8.272 -4.214 -4.557 1.00 0.00 C ATOM 0 H ALA A 79 -9.532 -3.839 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.991 -5.466 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.926 -4.438 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.777 -4.878 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.033 -3.179 -4.801 1.00 0.00 H new ATOM 1237 N ARG A 80 -11.009 -2.422 -4.000 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.795 -1.507 -3.149 1.00 0.00 C ATOM 1239 C ARG A 80 -12.967 -2.241 -2.469 1.00 0.00 C ATOM 1240 O ARG A 80 -13.405 -1.849 -1.412 1.00 0.00 O ATOM 1241 CB ARG A 80 -12.351 -0.351 -3.999 1.00 0.00 C ATOM 1242 CG ARG A 80 -13.316 -0.801 -5.099 1.00 0.00 C ATOM 1243 CD ARG A 80 -13.694 0.330 -6.039 1.00 0.00 C ATOM 1244 NE ARG A 80 -14.465 1.387 -5.372 1.00 0.00 N ATOM 1245 CZ ARG A 80 -15.286 2.252 -5.989 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -15.500 2.169 -7.291 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -15.892 3.200 -5.293 1.00 0.00 N ATOM 0 H ARG A 80 -10.898 -2.087 -4.957 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.132 -1.119 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.864 0.354 -3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.519 0.185 -4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.858 -1.608 -5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.219 -1.207 -4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.788 0.761 -6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.277 -0.071 -6.868 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.369 1.471 -4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.039 1.442 -7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.126 2.832 -7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.736 3.274 -4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.516 3.857 -5.762 1.00 0.00 H new ATOM 1261 N ARG A 81 -13.417 -3.340 -3.097 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.541 -4.177 -2.644 1.00 0.00 C ATOM 1263 C ARG A 81 -14.341 -4.635 -1.199 1.00 0.00 C ATOM 1264 O ARG A 81 -15.289 -4.733 -0.430 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.597 -5.424 -3.539 1.00 0.00 C ATOM 1266 CG ARG A 81 -15.782 -6.351 -3.322 1.00 0.00 C ATOM 1267 CD ARG A 81 -17.073 -5.727 -3.801 1.00 0.00 C ATOM 1268 NE ARG A 81 -18.186 -6.668 -3.702 1.00 0.00 N ATOM 1269 CZ ARG A 81 -19.087 -6.901 -4.661 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -18.975 -6.316 -5.850 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -20.075 -7.751 -4.439 1.00 0.00 N ATOM 0 H ARG A 81 -12.996 -3.681 -3.961 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.461 -3.595 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.602 -5.099 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.682 -5.996 -3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.612 -7.289 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.866 -6.593 -2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.292 -4.838 -3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.960 -5.401 -4.835 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.283 -7.189 -2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.197 -5.684 -6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.667 -6.500 -6.576 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.147 -8.225 -3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.765 -7.932 -5.168 1.00 0.00 H new