USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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 4 THR OG1 : rot 23:sc= 0.187 USER MOD Single : A 10 THR OG1 : rot 77:sc= 0.917 USER MOD Single : A 15 THR OG1 : rot 84:sc= 0.81 USER MOD Single : A 16 CYS SG : rot -32:sc= 0.0612 USER MOD Single : A 22 THR OG1 : rot -16:sc= 1.18 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.925 USER MOD Single : A 27 SER OG : rot 86:sc= 0.223 USER MOD Single : A 28 HIS : no HD1:sc= -0.677 K(o=-0.68,f=-6.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= -0.808 (180deg=-2.76!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0.584 (180deg=0.576) USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.619 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 65 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.53) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0777 USER MOD Single : A 73 GLN : amide:sc= 0.451 K(o=0.45,f=-4.8!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -2.82! C(o=-2.8!,f=-5.8!) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= -0.0286 (180deg=-0.277) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -6.935 -2.558 2.640 1.00 0.00 N ATOM 46 CA THR A 4 -5.496 -2.284 2.724 1.00 0.00 C ATOM 47 C THR A 4 -5.131 -0.999 1.953 1.00 0.00 C ATOM 48 O THR A 4 -4.378 -0.185 2.459 1.00 0.00 O ATOM 49 CB THR A 4 -4.670 -3.494 2.190 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.134 -4.694 2.831 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.160 -3.327 2.464 1.00 0.00 C ATOM 0 HA THR A 4 -5.246 -2.133 3.774 1.00 0.00 H new ATOM 0 HB THR A 4 -4.810 -3.549 1.110 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.051 -4.561 3.149 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.622 -4.192 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.799 -2.424 1.972 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.992 -3.247 3.538 1.00 0.00 H new ATOM 59 N PHE A 5 -5.740 -0.814 0.760 1.00 0.00 N ATOM 60 CA PHE A 5 -5.535 0.386 -0.085 1.00 0.00 C ATOM 61 C PHE A 5 -5.830 1.691 0.691 1.00 0.00 C ATOM 62 O PHE A 5 -5.034 2.628 0.640 1.00 0.00 O ATOM 63 CB PHE A 5 -6.418 0.296 -1.365 1.00 0.00 C ATOM 64 CG PHE A 5 -6.484 1.607 -2.168 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.371 2.077 -2.869 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.644 2.386 -2.180 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.424 3.276 -3.546 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.692 3.582 -2.868 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.580 4.028 -3.545 1.00 0.00 C ATOM 0 H PHE A 5 -6.387 -1.491 0.356 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.485 0.414 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.030 -0.494 -2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.429 0.005 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.461 1.496 -2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.517 2.047 -1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.555 3.629 -4.081 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.600 4.166 -2.875 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.613 4.968 -4.076 1.00 0.00 H new ATOM 79 N ASP A 6 -6.978 1.726 1.389 1.00 0.00 N ATOM 80 CA ASP A 6 -7.404 2.897 2.189 1.00 0.00 C ATOM 81 C ASP A 6 -6.394 3.199 3.297 1.00 0.00 C ATOM 82 O ASP A 6 -6.030 4.352 3.518 1.00 0.00 O ATOM 83 CB ASP A 6 -8.804 2.666 2.807 1.00 0.00 C ATOM 84 CG ASP A 6 -9.918 2.630 1.755 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.954 1.679 0.950 1.00 0.00 O ATOM 86 OD2 ASP A 6 -10.765 3.551 1.727 1.00 0.00 O ATOM 0 H ASP A 6 -7.638 0.949 1.417 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.454 3.753 1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.802 1.727 3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.014 3.458 3.526 1.00 0.00 H new ATOM 91 N ARG A 7 -5.935 2.141 3.970 1.00 0.00 N ATOM 92 CA ARG A 7 -4.936 2.237 5.041 1.00 0.00 C ATOM 93 C ARG A 7 -3.591 2.811 4.525 1.00 0.00 C ATOM 94 O ARG A 7 -3.018 3.703 5.154 1.00 0.00 O ATOM 95 CB ARG A 7 -4.739 0.839 5.684 1.00 0.00 C ATOM 96 CG ARG A 7 -5.971 0.282 6.445 1.00 0.00 C ATOM 97 CD ARG A 7 -6.329 1.144 7.672 1.00 0.00 C ATOM 98 NE ARG A 7 -5.180 1.269 8.596 1.00 0.00 N ATOM 99 CZ ARG A 7 -4.577 2.421 8.949 1.00 0.00 C ATOM 100 NH1 ARG A 7 -5.029 3.592 8.508 1.00 0.00 N ATOM 101 NH2 ARG A 7 -3.517 2.384 9.732 1.00 0.00 N ATOM 0 H ARG A 7 -6.247 1.187 3.787 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.302 2.932 5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.466 0.132 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.898 0.890 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.826 0.240 5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.768 -0.740 6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.644 2.135 7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.174 0.699 8.197 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.812 0.408 9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.843 3.626 7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.562 4.456 8.784 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.160 1.488 10.065 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.054 3.251 10.005 1.00 0.00 H new ATOM 115 N VAL A 8 -3.140 2.323 3.350 1.00 0.00 N ATOM 116 CA VAL A 8 -1.860 2.730 2.723 1.00 0.00 C ATOM 117 C VAL A 8 -1.945 4.178 2.221 1.00 0.00 C ATOM 118 O VAL A 8 -1.014 4.955 2.402 1.00 0.00 O ATOM 119 CB VAL A 8 -1.492 1.773 1.522 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.191 2.210 0.794 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.372 0.315 2.012 1.00 0.00 C ATOM 0 H VAL A 8 -3.655 1.632 2.805 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.079 2.659 3.480 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.303 1.842 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.018 1.520 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.318 3.217 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.641 2.201 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.118 -0.331 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.591 0.249 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.322 -0.004 2.441 1.00 0.00 H new ATOM 131 N ALA A 9 -3.099 4.516 1.623 1.00 0.00 N ATOM 132 CA ALA A 9 -3.369 5.854 1.060 1.00 0.00 C ATOM 133 C ALA A 9 -3.320 6.931 2.159 1.00 0.00 C ATOM 134 O ALA A 9 -2.797 8.023 1.938 1.00 0.00 O ATOM 135 CB ALA A 9 -4.731 5.881 0.339 1.00 0.00 C ATOM 0 H ALA A 9 -3.878 3.866 1.515 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.590 6.074 0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.908 6.877 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.728 5.153 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.522 5.632 1.046 1.00 0.00 H new ATOM 141 N THR A 10 -3.872 6.585 3.338 1.00 0.00 N ATOM 142 CA THR A 10 -3.836 7.440 4.537 1.00 0.00 C ATOM 143 C THR A 10 -2.387 7.641 5.038 1.00 0.00 C ATOM 144 O THR A 10 -1.996 8.760 5.354 1.00 0.00 O ATOM 145 CB THR A 10 -4.724 6.834 5.676 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.065 6.647 5.202 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.767 7.717 6.943 1.00 0.00 C ATOM 0 H THR A 10 -4.357 5.700 3.485 1.00 0.00 H new ATOM 0 HA THR A 10 -4.238 8.415 4.261 1.00 0.00 H new ATOM 0 HB THR A 10 -4.269 5.882 5.949 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.101 5.854 4.627 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.398 7.244 7.695 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.758 7.836 7.338 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.175 8.696 6.691 1.00 0.00 H new ATOM 155 N ILE A 11 -1.602 6.544 5.088 1.00 0.00 N ATOM 156 CA ILE A 11 -0.173 6.592 5.471 1.00 0.00 C ATOM 157 C ILE A 11 0.613 7.548 4.548 1.00 0.00 C ATOM 158 O ILE A 11 1.300 8.449 5.029 1.00 0.00 O ATOM 159 CB ILE A 11 0.466 5.153 5.440 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.189 4.247 6.530 1.00 0.00 C ATOM 161 CG2 ILE A 11 2.010 5.195 5.595 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.188 2.775 6.456 1.00 0.00 C ATOM 0 H ILE A 11 -1.937 5.606 4.866 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.114 6.973 6.491 1.00 0.00 H new ATOM 0 HB ILE A 11 0.263 4.721 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.089 4.628 7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.273 4.333 6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.406 4.180 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.442 5.775 4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.268 5.660 6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.317 2.230 7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.116 2.370 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.267 2.669 6.571 1.00 0.00 H new ATOM 174 N ILE A 12 0.462 7.354 3.226 1.00 0.00 N ATOM 175 CA ILE A 12 1.113 8.181 2.191 1.00 0.00 C ATOM 176 C ILE A 12 0.746 9.667 2.377 1.00 0.00 C ATOM 177 O ILE A 12 1.621 10.541 2.374 1.00 0.00 O ATOM 178 CB ILE A 12 0.707 7.695 0.739 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.255 6.259 0.470 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.161 8.681 -0.364 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.053 5.733 -0.938 1.00 0.00 C ATOM 0 H ILE A 12 -0.121 6.611 2.841 1.00 0.00 H new ATOM 0 HA ILE A 12 2.192 8.069 2.300 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.382 7.666 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.322 6.249 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.778 5.571 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.858 8.300 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.700 9.654 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.246 8.784 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.470 4.729 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.013 5.701 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.556 6.390 -1.648 1.00 0.00 H new ATOM 193 N ALA A 13 -0.555 9.907 2.551 1.00 0.00 N ATOM 194 CA ALA A 13 -1.125 11.237 2.799 1.00 0.00 C ATOM 195 C ALA A 13 -0.459 11.981 3.973 1.00 0.00 C ATOM 196 O ALA A 13 0.093 13.070 3.795 1.00 0.00 O ATOM 197 CB ALA A 13 -2.636 11.111 3.053 1.00 0.00 C ATOM 0 H ALA A 13 -1.258 9.169 2.523 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.934 11.832 1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.058 12.099 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.116 10.668 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.807 10.476 3.922 1.00 0.00 H new ATOM 203 N GLU A 14 -0.518 11.372 5.162 1.00 0.00 N ATOM 204 CA GLU A 14 -0.092 12.020 6.416 1.00 0.00 C ATOM 205 C GLU A 14 1.441 12.090 6.550 1.00 0.00 C ATOM 206 O GLU A 14 1.952 12.951 7.271 1.00 0.00 O ATOM 207 CB GLU A 14 -0.708 11.292 7.637 1.00 0.00 C ATOM 208 CG GLU A 14 -2.239 11.086 7.570 1.00 0.00 C ATOM 209 CD GLU A 14 -3.045 12.369 7.274 1.00 0.00 C ATOM 210 OE1 GLU A 14 -3.398 13.101 8.224 1.00 0.00 O ATOM 211 OE2 GLU A 14 -3.354 12.638 6.091 1.00 0.00 O ATOM 0 H GLU A 14 -0.860 10.419 5.287 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.459 13.046 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.230 10.318 7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.472 11.860 8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.460 10.347 6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.579 10.669 8.518 1.00 0.00 H new ATOM 218 N THR A 15 2.174 11.189 5.869 1.00 0.00 N ATOM 219 CA THR A 15 3.650 11.177 5.908 1.00 0.00 C ATOM 220 C THR A 15 4.234 12.202 4.902 1.00 0.00 C ATOM 221 O THR A 15 5.141 12.961 5.250 1.00 0.00 O ATOM 222 CB THR A 15 4.228 9.743 5.622 1.00 0.00 C ATOM 223 OG1 THR A 15 3.663 8.793 6.541 1.00 0.00 O ATOM 224 CG2 THR A 15 5.765 9.675 5.749 1.00 0.00 C ATOM 0 H THR A 15 1.768 10.459 5.284 1.00 0.00 H new ATOM 0 HA THR A 15 3.950 11.463 6.916 1.00 0.00 H new ATOM 0 HB THR A 15 3.960 9.507 4.592 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.791 8.494 6.208 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.103 8.660 5.540 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.220 10.363 5.036 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.059 9.954 6.761 1.00 0.00 H new ATOM 232 N CYS A 16 3.681 12.244 3.669 1.00 0.00 N ATOM 233 CA CYS A 16 4.231 13.051 2.545 1.00 0.00 C ATOM 234 C CYS A 16 3.533 14.429 2.390 1.00 0.00 C ATOM 235 O CYS A 16 3.961 15.237 1.552 1.00 0.00 O ATOM 236 CB CYS A 16 4.110 12.247 1.218 1.00 0.00 C ATOM 237 SG CYS A 16 4.900 13.007 -0.220 1.00 0.00 S ATOM 0 H CYS A 16 2.841 11.721 3.420 1.00 0.00 H new ATOM 0 HA CYS A 16 5.277 13.251 2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.544 11.259 1.370 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.053 12.100 0.996 1.00 0.00 H new ATOM 0 HG CYS A 16 4.833 14.301 -0.119 1.00 0.00 H new ATOM 243 N ASP A 17 2.491 14.694 3.213 1.00 0.00 N ATOM 244 CA ASP A 17 1.665 15.930 3.154 1.00 0.00 C ATOM 245 C ASP A 17 0.976 16.091 1.771 1.00 0.00 C ATOM 246 O ASP A 17 1.287 16.997 0.989 1.00 0.00 O ATOM 247 CB ASP A 17 2.492 17.190 3.565 1.00 0.00 C ATOM 248 CG ASP A 17 1.648 18.476 3.664 1.00 0.00 C ATOM 249 OD1 ASP A 17 0.794 18.560 4.568 1.00 0.00 O ATOM 250 OD2 ASP A 17 1.836 19.408 2.841 1.00 0.00 O ATOM 0 H ASP A 17 2.194 14.050 3.946 1.00 0.00 H new ATOM 0 HA ASP A 17 0.865 15.831 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.969 17.003 4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.290 17.344 2.838 1.00 0.00 H new ATOM 255 N ILE A 18 0.058 15.156 1.478 1.00 0.00 N ATOM 256 CA ILE A 18 -0.753 15.132 0.233 1.00 0.00 C ATOM 257 C ILE A 18 -2.145 14.553 0.556 1.00 0.00 C ATOM 258 O ILE A 18 -2.260 13.773 1.488 1.00 0.00 O ATOM 259 CB ILE A 18 -0.057 14.303 -0.937 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.554 12.960 -0.406 1.00 0.00 C ATOM 261 CG2 ILE A 18 1.011 15.150 -1.680 1.00 0.00 C ATOM 262 CD1 ILE A 18 1.216 12.106 -1.476 1.00 0.00 C ATOM 0 H ILE A 18 -0.151 14.379 2.105 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.846 16.155 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.834 14.049 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.289 13.189 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.236 12.378 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.464 14.552 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.538 16.030 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.781 15.464 -0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.611 11.197 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.482 11.842 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.030 12.666 -1.936 1.00 0.00 H new ATOM 274 N PRO A 19 -3.240 14.948 -0.171 1.00 0.00 N ATOM 275 CA PRO A 19 -4.595 14.369 0.048 1.00 0.00 C ATOM 276 C PRO A 19 -4.658 12.879 -0.356 1.00 0.00 C ATOM 277 O PRO A 19 -4.270 12.534 -1.469 1.00 0.00 O ATOM 278 CB PRO A 19 -5.522 15.243 -0.858 1.00 0.00 C ATOM 279 CG PRO A 19 -4.703 16.459 -1.183 1.00 0.00 C ATOM 280 CD PRO A 19 -3.272 15.981 -1.232 1.00 0.00 C ATOM 0 HA PRO A 19 -4.888 14.387 1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.811 14.707 -1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.442 15.513 -0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.005 16.892 -2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.832 17.233 -0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.016 15.568 -2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.568 16.789 -1.033 1.00 0.00 H new ATOM 288 N ARG A 20 -5.161 12.001 0.546 1.00 0.00 N ATOM 289 CA ARG A 20 -5.313 10.546 0.261 1.00 0.00 C ATOM 290 C ARG A 20 -6.343 10.287 -0.854 1.00 0.00 C ATOM 291 O ARG A 20 -6.353 9.215 -1.464 1.00 0.00 O ATOM 292 CB ARG A 20 -5.660 9.743 1.562 1.00 0.00 C ATOM 293 CG ARG A 20 -6.962 10.123 2.330 1.00 0.00 C ATOM 294 CD ARG A 20 -8.255 9.556 1.711 1.00 0.00 C ATOM 295 NE ARG A 20 -9.416 9.739 2.584 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.289 10.760 2.524 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.134 11.751 1.648 1.00 0.00 N ATOM 298 NH2 ARG A 20 -11.311 10.783 3.356 1.00 0.00 N ATOM 0 H ARG A 20 -5.470 12.272 1.480 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.351 10.185 -0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.725 8.688 1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.823 9.847 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.880 9.769 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.040 11.209 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.442 10.044 0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.121 8.494 1.506 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.577 9.030 3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.341 11.745 1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.808 12.516 1.619 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.433 10.032 4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.980 11.552 3.321 1.00 0.00 H new ATOM 312 N GLU A 21 -7.196 11.292 -1.122 1.00 0.00 N ATOM 313 CA GLU A 21 -8.264 11.203 -2.126 1.00 0.00 C ATOM 314 C GLU A 21 -7.682 11.420 -3.531 1.00 0.00 C ATOM 315 O GLU A 21 -8.278 10.995 -4.522 1.00 0.00 O ATOM 316 CB GLU A 21 -9.372 12.237 -1.803 1.00 0.00 C ATOM 317 CG GLU A 21 -8.885 13.700 -1.749 1.00 0.00 C ATOM 318 CD GLU A 21 -9.939 14.671 -1.207 1.00 0.00 C ATOM 319 OE1 GLU A 21 -10.240 14.604 0.007 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.484 15.486 -1.979 1.00 0.00 O ATOM 0 H GLU A 21 -7.161 12.192 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.711 10.209 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.157 12.156 -2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.822 11.981 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.994 13.756 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.592 14.015 -2.750 1.00 0.00 H new ATOM 327 N THR A 22 -6.503 12.085 -3.608 1.00 0.00 N ATOM 328 CA THR A 22 -5.751 12.232 -4.870 1.00 0.00 C ATOM 329 C THR A 22 -4.812 11.024 -5.092 1.00 0.00 C ATOM 330 O THR A 22 -4.011 11.021 -6.026 1.00 0.00 O ATOM 331 CB THR A 22 -4.948 13.583 -4.915 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.975 13.642 -3.858 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.881 14.808 -4.806 1.00 0.00 C ATOM 0 H THR A 22 -6.055 12.528 -2.806 1.00 0.00 H new ATOM 0 HA THR A 22 -6.476 12.258 -5.683 1.00 0.00 H new ATOM 0 HB THR A 22 -4.441 13.612 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.185 12.964 -3.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.288 15.722 -4.841 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.588 14.802 -5.636 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.428 14.766 -3.864 1.00 0.00 H new ATOM 341 N ILE A 23 -4.903 10.016 -4.200 1.00 0.00 N ATOM 342 CA ILE A 23 -4.309 8.685 -4.394 1.00 0.00 C ATOM 343 C ILE A 23 -5.417 7.772 -4.988 1.00 0.00 C ATOM 344 O ILE A 23 -6.540 7.743 -4.465 1.00 0.00 O ATOM 345 CB ILE A 23 -3.758 8.088 -3.019 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.379 8.712 -2.582 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.652 6.550 -3.075 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.374 10.197 -2.275 1.00 0.00 C ATOM 0 H ILE A 23 -5.399 10.109 -3.314 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.455 8.747 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.490 8.366 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.029 8.180 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.654 8.525 -3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.274 6.176 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.637 6.124 -3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.970 6.261 -3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.369 10.506 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.684 10.753 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.065 10.402 -1.457 1.00 0.00 H new ATOM 360 N THR A 24 -5.101 7.041 -6.076 1.00 0.00 N ATOM 361 CA THR A 24 -6.060 6.145 -6.779 1.00 0.00 C ATOM 362 C THR A 24 -5.488 4.704 -6.856 1.00 0.00 C ATOM 363 O THR A 24 -4.281 4.529 -6.665 1.00 0.00 O ATOM 364 CB THR A 24 -6.380 6.696 -8.211 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.175 6.849 -8.966 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.127 8.044 -8.156 1.00 0.00 C ATOM 0 H THR A 24 -4.173 7.051 -6.498 1.00 0.00 H new ATOM 0 HA THR A 24 -6.991 6.116 -6.213 1.00 0.00 H new ATOM 0 HB THR A 24 -7.030 5.969 -8.698 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.390 7.192 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.329 8.390 -9.170 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.069 7.917 -7.622 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.512 8.780 -7.637 1.00 0.00 H new ATOM 374 N PRO A 25 -6.348 3.639 -7.074 1.00 0.00 N ATOM 375 CA PRO A 25 -5.888 2.221 -7.175 1.00 0.00 C ATOM 376 C PRO A 25 -4.759 2.007 -8.208 1.00 0.00 C ATOM 377 O PRO A 25 -3.731 1.400 -7.899 1.00 0.00 O ATOM 378 CB PRO A 25 -7.174 1.447 -7.575 1.00 0.00 C ATOM 379 CG PRO A 25 -8.281 2.278 -7.008 1.00 0.00 C ATOM 380 CD PRO A 25 -7.836 3.717 -7.172 1.00 0.00 C ATOM 0 HA PRO A 25 -5.446 1.880 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.261 1.349 -8.657 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.179 0.438 -7.162 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.218 2.095 -7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.453 2.038 -5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.153 4.128 -8.130 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.256 4.357 -6.396 1.00 0.00 H new ATOM 388 N GLU A 26 -4.913 2.610 -9.398 1.00 0.00 N ATOM 389 CA GLU A 26 -3.990 2.386 -10.543 1.00 0.00 C ATOM 390 C GLU A 26 -2.884 3.463 -10.568 1.00 0.00 C ATOM 391 O GLU A 26 -2.121 3.551 -11.534 1.00 0.00 O ATOM 392 CB GLU A 26 -4.752 2.328 -11.909 1.00 0.00 C ATOM 393 CG GLU A 26 -5.540 3.599 -12.315 1.00 0.00 C ATOM 394 CD GLU A 26 -6.910 3.722 -11.624 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.886 3.123 -12.122 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.016 4.399 -10.584 1.00 0.00 O ATOM 0 H GLU A 26 -5.671 3.262 -9.601 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.521 1.413 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.028 2.110 -12.694 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.449 1.490 -11.876 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.942 4.479 -12.077 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.686 3.596 -13.395 1.00 0.00 H new ATOM 403 N SER A 27 -2.782 4.239 -9.472 1.00 0.00 N ATOM 404 CA SER A 27 -1.749 5.264 -9.297 1.00 0.00 C ATOM 405 C SER A 27 -0.397 4.595 -9.031 1.00 0.00 C ATOM 406 O SER A 27 -0.307 3.685 -8.201 1.00 0.00 O ATOM 407 CB SER A 27 -2.100 6.207 -8.122 1.00 0.00 C ATOM 408 OG SER A 27 -1.060 7.121 -7.855 1.00 0.00 O ATOM 0 H SER A 27 -3.421 4.167 -8.681 1.00 0.00 H new ATOM 0 HA SER A 27 -1.694 5.855 -10.211 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.013 6.754 -8.355 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.302 5.615 -7.229 1.00 0.00 H new ATOM 0 HG SER A 27 -1.159 7.907 -8.432 1.00 0.00 H new ATOM 414 N HIS A 28 0.630 5.025 -9.766 1.00 0.00 N ATOM 415 CA HIS A 28 2.009 4.647 -9.481 1.00 0.00 C ATOM 416 C HIS A 28 2.547 5.616 -8.415 1.00 0.00 C ATOM 417 O HIS A 28 2.602 6.823 -8.663 1.00 0.00 O ATOM 418 CB HIS A 28 2.878 4.704 -10.763 1.00 0.00 C ATOM 419 CG HIS A 28 4.160 3.929 -10.623 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.211 4.379 -9.860 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.482 2.729 -11.152 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.138 3.437 -9.944 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.740 2.420 -10.715 1.00 0.00 N ATOM 0 H HIS A 28 0.527 5.642 -10.571 1.00 0.00 H new ATOM 0 HA HIS A 28 2.048 3.621 -9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.307 4.308 -11.603 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.109 5.743 -10.996 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.862 2.126 -11.799 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.097 3.485 -9.450 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.271 1.578 -10.934 1.00 0.00 H new ATOM 431 N ALA A 29 2.903 5.098 -7.230 1.00 0.00 N ATOM 432 CA ALA A 29 3.431 5.900 -6.106 1.00 0.00 C ATOM 433 C ALA A 29 4.581 6.847 -6.517 1.00 0.00 C ATOM 434 O ALA A 29 4.659 7.978 -6.036 1.00 0.00 O ATOM 435 CB ALA A 29 3.873 4.957 -4.980 1.00 0.00 C ATOM 0 H ALA A 29 2.834 4.103 -7.019 1.00 0.00 H new ATOM 0 HA ALA A 29 2.627 6.549 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.264 5.542 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.020 4.369 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.650 4.288 -5.350 1.00 0.00 H new ATOM 441 N ILE A 30 5.427 6.412 -7.461 1.00 0.00 N ATOM 442 CA ILE A 30 6.621 7.175 -7.852 1.00 0.00 C ATOM 443 C ILE A 30 6.277 8.136 -9.013 1.00 0.00 C ATOM 444 O ILE A 30 6.473 9.348 -8.900 1.00 0.00 O ATOM 445 CB ILE A 30 7.795 6.216 -8.259 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.139 5.232 -7.092 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.045 7.014 -8.703 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.268 4.252 -7.392 1.00 0.00 C ATOM 0 H ILE A 30 5.307 5.535 -7.968 1.00 0.00 H new ATOM 0 HA ILE A 30 6.952 7.761 -6.994 1.00 0.00 H new ATOM 0 HB ILE A 30 7.463 5.625 -9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.408 5.815 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.243 4.665 -6.838 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.840 6.321 -8.978 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.793 7.637 -9.561 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.383 7.647 -7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.434 3.612 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.998 3.637 -8.251 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.180 4.805 -7.615 1.00 0.00 H new ATOM 460 N ASP A 31 5.727 7.583 -10.118 1.00 0.00 N ATOM 461 CA ASP A 31 5.528 8.335 -11.388 1.00 0.00 C ATOM 462 C ASP A 31 4.298 9.254 -11.352 1.00 0.00 C ATOM 463 O ASP A 31 4.334 10.365 -11.893 1.00 0.00 O ATOM 464 CB ASP A 31 5.414 7.358 -12.587 1.00 0.00 C ATOM 465 CG ASP A 31 6.699 6.550 -12.806 1.00 0.00 C ATOM 466 OD1 ASP A 31 7.637 7.057 -13.459 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.790 5.415 -12.310 1.00 0.00 O ATOM 0 H ASP A 31 5.410 6.614 -10.160 1.00 0.00 H new ATOM 0 HA ASP A 31 6.405 8.970 -11.510 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.582 6.674 -12.417 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.184 7.922 -13.491 1.00 0.00 H new ATOM 472 N ASP A 32 3.215 8.790 -10.720 1.00 0.00 N ATOM 473 CA ASP A 32 1.915 9.500 -10.732 1.00 0.00 C ATOM 474 C ASP A 32 1.861 10.519 -9.581 1.00 0.00 C ATOM 475 O ASP A 32 1.709 11.722 -9.817 1.00 0.00 O ATOM 476 CB ASP A 32 0.733 8.493 -10.632 1.00 0.00 C ATOM 477 CG ASP A 32 -0.638 9.192 -10.690 1.00 0.00 C ATOM 478 OD1 ASP A 32 -1.132 9.437 -11.807 1.00 0.00 O ATOM 479 OD2 ASP A 32 -1.210 9.529 -9.628 1.00 0.00 O ATOM 0 H ASP A 32 3.206 7.920 -10.188 1.00 0.00 H new ATOM 0 HA ASP A 32 1.820 10.034 -11.677 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.805 7.771 -11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.814 7.933 -9.700 1.00 0.00 H new ATOM 484 N LEU A 33 2.000 10.012 -8.338 1.00 0.00 N ATOM 485 CA LEU A 33 1.943 10.840 -7.107 1.00 0.00 C ATOM 486 C LEU A 33 3.180 11.745 -6.981 1.00 0.00 C ATOM 487 O LEU A 33 3.123 12.786 -6.317 1.00 0.00 O ATOM 488 CB LEU A 33 1.838 9.923 -5.854 1.00 0.00 C ATOM 489 CG LEU A 33 0.607 8.976 -5.795 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.652 8.086 -4.534 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.718 9.771 -5.897 1.00 0.00 C ATOM 0 H LEU A 33 2.155 9.020 -8.156 1.00 0.00 H new ATOM 0 HA LEU A 33 1.060 11.476 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.741 9.315 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.825 10.556 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 33 0.649 8.313 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.221 7.433 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.558 7.480 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.651 8.715 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.561 9.081 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.783 10.477 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.744 10.315 -6.841 1.00 0.00 H new ATOM 503 N GLY A 34 4.283 11.335 -7.639 1.00 0.00 N ATOM 504 CA GLY A 34 5.562 12.036 -7.535 1.00 0.00 C ATOM 505 C GLY A 34 6.163 11.983 -6.134 1.00 0.00 C ATOM 506 O GLY A 34 6.702 12.982 -5.650 1.00 0.00 O ATOM 0 H GLY A 34 4.305 10.517 -8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.267 11.600 -8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.423 13.078 -7.825 1.00 0.00 H new ATOM 510 N ILE A 35 6.049 10.816 -5.470 1.00 0.00 N ATOM 511 CA ILE A 35 6.694 10.591 -4.167 1.00 0.00 C ATOM 512 C ILE A 35 8.208 10.434 -4.389 1.00 0.00 C ATOM 513 O ILE A 35 8.638 9.505 -5.088 1.00 0.00 O ATOM 514 CB ILE A 35 6.138 9.324 -3.414 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.593 9.420 -3.198 1.00 0.00 C ATOM 516 CG2 ILE A 35 6.861 9.128 -2.056 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.957 8.148 -2.637 1.00 0.00 C ATOM 0 H ILE A 35 5.517 10.018 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 35 6.474 11.452 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 35 6.337 8.456 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.383 10.247 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.119 9.660 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.460 8.247 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.929 8.993 -2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.703 10.006 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.884 8.300 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.132 7.320 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.401 7.916 -1.669 1.00 0.00 H new ATOM 529 N ASP A 36 8.984 11.388 -3.842 1.00 0.00 N ATOM 530 CA ASP A 36 10.463 11.350 -3.843 1.00 0.00 C ATOM 531 C ASP A 36 10.963 10.033 -3.215 1.00 0.00 C ATOM 532 O ASP A 36 10.347 9.529 -2.273 1.00 0.00 O ATOM 533 CB ASP A 36 11.020 12.579 -3.079 1.00 0.00 C ATOM 534 CG ASP A 36 12.559 12.675 -3.069 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.136 13.257 -4.012 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.202 12.158 -2.126 1.00 0.00 O ATOM 0 H ASP A 36 8.602 12.215 -3.383 1.00 0.00 H new ATOM 0 HA ASP A 36 10.824 11.391 -4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.614 13.486 -3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.663 12.545 -2.050 1.00 0.00 H new ATOM 541 N SER A 37 12.069 9.502 -3.757 1.00 0.00 N ATOM 542 CA SER A 37 12.619 8.183 -3.384 1.00 0.00 C ATOM 543 C SER A 37 12.876 8.069 -1.869 1.00 0.00 C ATOM 544 O SER A 37 12.522 7.058 -1.247 1.00 0.00 O ATOM 545 CB SER A 37 13.921 7.940 -4.166 1.00 0.00 C ATOM 546 OG SER A 37 14.838 9.005 -3.955 1.00 0.00 O ATOM 0 H SER A 37 12.615 9.979 -4.475 1.00 0.00 H new ATOM 0 HA SER A 37 11.881 7.422 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.370 6.998 -3.851 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.701 7.848 -5.230 1.00 0.00 H new ATOM 0 HG SER A 37 15.661 8.833 -4.459 1.00 0.00 H new ATOM 552 N LEU A 38 13.443 9.146 -1.283 1.00 0.00 N ATOM 553 CA LEU A 38 13.752 9.201 0.155 1.00 0.00 C ATOM 554 C LEU A 38 12.445 9.213 0.962 1.00 0.00 C ATOM 555 O LEU A 38 12.298 8.468 1.927 1.00 0.00 O ATOM 556 CB LEU A 38 14.609 10.451 0.491 1.00 0.00 C ATOM 557 CG LEU A 38 15.945 10.605 -0.299 1.00 0.00 C ATOM 558 CD1 LEU A 38 16.706 11.881 0.137 1.00 0.00 C ATOM 559 CD2 LEU A 38 16.826 9.336 -0.175 1.00 0.00 C ATOM 0 H LEU A 38 13.696 9.993 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 38 14.331 8.318 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.003 11.339 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.841 10.430 1.556 1.00 0.00 H new ATOM 0 HG LEU A 38 15.698 10.719 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.633 11.963 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.086 12.757 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 38 16.935 11.822 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.749 9.477 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.064 9.159 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.286 8.478 -0.574 1.00 0.00 H new ATOM 571 N ASP A 39 11.483 10.042 0.505 1.00 0.00 N ATOM 572 CA ASP A 39 10.151 10.171 1.136 1.00 0.00 C ATOM 573 C ASP A 39 9.347 8.866 1.053 1.00 0.00 C ATOM 574 O ASP A 39 8.501 8.619 1.910 1.00 0.00 O ATOM 575 CB ASP A 39 9.354 11.340 0.500 1.00 0.00 C ATOM 576 CG ASP A 39 9.890 12.718 0.922 1.00 0.00 C ATOM 577 OD1 ASP A 39 9.539 13.185 2.029 1.00 0.00 O ATOM 578 OD2 ASP A 39 10.661 13.338 0.169 1.00 0.00 O ATOM 0 H ASP A 39 11.607 10.641 -0.311 1.00 0.00 H new ATOM 0 HA ASP A 39 10.314 10.389 2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.395 11.255 -0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.305 11.259 0.786 1.00 0.00 H new ATOM 583 N PHE A 40 9.623 8.027 0.031 1.00 0.00 N ATOM 584 CA PHE A 40 8.953 6.724 -0.121 1.00 0.00 C ATOM 585 C PHE A 40 9.502 5.729 0.919 1.00 0.00 C ATOM 586 O PHE A 40 8.763 4.874 1.398 1.00 0.00 O ATOM 587 CB PHE A 40 9.109 6.154 -1.560 1.00 0.00 C ATOM 588 CG PHE A 40 8.205 4.944 -1.805 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.856 5.128 -2.115 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.680 3.636 -1.686 1.00 0.00 C ATOM 591 CE1 PHE A 40 6.017 4.049 -2.289 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.837 2.560 -1.868 1.00 0.00 C ATOM 593 CZ PHE A 40 6.507 2.764 -2.173 1.00 0.00 C ATOM 0 H PHE A 40 10.305 8.232 -0.699 1.00 0.00 H new ATOM 0 HA PHE A 40 7.887 6.873 0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.874 6.933 -2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.148 5.868 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.465 6.129 -2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.720 3.465 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.973 4.209 -2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.219 1.554 -1.771 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.850 1.919 -2.321 1.00 0.00 H new ATOM 603 N LEU A 41 10.806 5.853 1.243 1.00 0.00 N ATOM 604 CA LEU A 41 11.456 5.051 2.309 1.00 0.00 C ATOM 605 C LEU A 41 10.806 5.360 3.683 1.00 0.00 C ATOM 606 O LEU A 41 10.599 4.455 4.498 1.00 0.00 O ATOM 607 CB LEU A 41 12.980 5.347 2.351 1.00 0.00 C ATOM 608 CG LEU A 41 13.768 5.077 1.033 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.249 5.498 1.162 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.626 3.602 0.587 1.00 0.00 C ATOM 0 H LEU A 41 11.437 6.506 0.779 1.00 0.00 H new ATOM 0 HA LEU A 41 11.315 3.993 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.119 6.393 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.424 4.747 3.145 1.00 0.00 H new ATOM 0 HG LEU A 41 13.327 5.696 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.768 5.296 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.306 6.563 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.719 4.933 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.186 3.445 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.017 2.947 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.574 3.373 0.415 1.00 0.00 H new ATOM 622 N ASP A 42 10.473 6.659 3.890 1.00 0.00 N ATOM 623 CA ASP A 42 9.726 7.147 5.079 1.00 0.00 C ATOM 624 C ASP A 42 8.314 6.539 5.121 1.00 0.00 C ATOM 625 O ASP A 42 7.867 6.060 6.167 1.00 0.00 O ATOM 626 CB ASP A 42 9.633 8.702 5.073 1.00 0.00 C ATOM 627 CG ASP A 42 10.966 9.389 5.408 1.00 0.00 C ATOM 628 OD1 ASP A 42 11.840 9.475 4.529 1.00 0.00 O ATOM 629 OD2 ASP A 42 11.147 9.851 6.557 1.00 0.00 O ATOM 0 H ASP A 42 10.716 7.401 3.234 1.00 0.00 H new ATOM 0 HA ASP A 42 10.271 6.832 5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.296 9.036 4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.878 9.017 5.793 1.00 0.00 H new ATOM 634 N ILE A 43 7.632 6.557 3.961 1.00 0.00 N ATOM 635 CA ILE A 43 6.261 6.030 3.824 1.00 0.00 C ATOM 636 C ILE A 43 6.222 4.506 4.044 1.00 0.00 C ATOM 637 O ILE A 43 5.341 4.006 4.747 1.00 0.00 O ATOM 638 CB ILE A 43 5.644 6.407 2.421 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.399 7.949 2.328 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.350 5.613 2.117 1.00 0.00 C ATOM 641 CD1 ILE A 43 4.853 8.440 0.999 1.00 0.00 C ATOM 0 H ILE A 43 8.014 6.936 3.095 1.00 0.00 H new ATOM 0 HA ILE A 43 5.652 6.496 4.599 1.00 0.00 H new ATOM 0 HB ILE A 43 6.369 6.125 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.704 8.238 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.340 8.462 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.963 5.907 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.571 4.546 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.604 5.826 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.719 9.521 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.554 8.190 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.894 7.962 0.801 1.00 0.00 H new ATOM 653 N ALA A 44 7.215 3.793 3.490 1.00 0.00 N ATOM 654 CA ALA A 44 7.261 2.317 3.527 1.00 0.00 C ATOM 655 C ALA A 44 7.551 1.846 4.961 1.00 0.00 C ATOM 656 O ALA A 44 6.959 0.889 5.432 1.00 0.00 O ATOM 657 CB ALA A 44 8.313 1.786 2.534 1.00 0.00 C ATOM 0 H ALA A 44 8.006 4.217 3.006 1.00 0.00 H new ATOM 0 HA ALA A 44 6.294 1.916 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.334 0.697 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.055 2.107 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.295 2.178 2.800 1.00 0.00 H new ATOM 663 N PHE A 45 8.455 2.585 5.639 1.00 0.00 N ATOM 664 CA PHE A 45 8.760 2.423 7.084 1.00 0.00 C ATOM 665 C PHE A 45 7.475 2.531 7.934 1.00 0.00 C ATOM 666 O PHE A 45 7.246 1.724 8.842 1.00 0.00 O ATOM 667 CB PHE A 45 9.810 3.501 7.500 1.00 0.00 C ATOM 668 CG PHE A 45 10.155 3.572 8.997 1.00 0.00 C ATOM 669 CD1 PHE A 45 10.926 2.584 9.603 1.00 0.00 C ATOM 670 CD2 PHE A 45 9.724 4.640 9.786 1.00 0.00 C ATOM 671 CE1 PHE A 45 11.249 2.654 10.945 1.00 0.00 C ATOM 672 CE2 PHE A 45 10.048 4.708 11.128 1.00 0.00 C ATOM 673 CZ PHE A 45 10.814 3.716 11.708 1.00 0.00 C ATOM 0 H PHE A 45 9.003 3.322 5.195 1.00 0.00 H new ATOM 0 HA PHE A 45 9.176 1.431 7.262 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.730 3.315 6.945 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.441 4.478 7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.278 1.749 9.015 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.129 5.424 9.342 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.844 1.874 11.397 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.701 5.539 11.724 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.071 3.772 12.755 1.00 0.00 H new ATOM 683 N ALA A 46 6.635 3.520 7.586 1.00 0.00 N ATOM 684 CA ALA A 46 5.362 3.774 8.278 1.00 0.00 C ATOM 685 C ALA A 46 4.324 2.669 7.964 1.00 0.00 C ATOM 686 O ALA A 46 3.473 2.361 8.800 1.00 0.00 O ATOM 687 CB ALA A 46 4.822 5.155 7.896 1.00 0.00 C ATOM 0 H ALA A 46 6.820 4.165 6.818 1.00 0.00 H new ATOM 0 HA ALA A 46 5.546 3.756 9.352 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.879 5.333 8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.544 5.920 8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.658 5.196 6.819 1.00 0.00 H new ATOM 693 N ILE A 47 4.405 2.081 6.757 1.00 0.00 N ATOM 694 CA ILE A 47 3.549 0.947 6.349 1.00 0.00 C ATOM 695 C ILE A 47 3.899 -0.314 7.167 1.00 0.00 C ATOM 696 O ILE A 47 3.008 -0.991 7.687 1.00 0.00 O ATOM 697 CB ILE A 47 3.687 0.654 4.800 1.00 0.00 C ATOM 698 CG1 ILE A 47 3.078 1.815 3.953 1.00 0.00 C ATOM 699 CG2 ILE A 47 3.059 -0.700 4.404 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.280 1.702 2.441 1.00 0.00 C ATOM 0 H ILE A 47 5.064 2.376 6.036 1.00 0.00 H new ATOM 0 HA ILE A 47 2.513 1.220 6.549 1.00 0.00 H new ATOM 0 HB ILE A 47 4.753 0.591 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.008 1.868 4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.513 2.755 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.178 -0.857 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.557 -1.504 4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.998 -0.696 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.819 2.558 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.347 1.684 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.818 0.783 2.080 1.00 0.00 H new ATOM 712 N ASP A 48 5.213 -0.587 7.287 1.00 0.00 N ATOM 713 CA ASP A 48 5.744 -1.761 8.009 1.00 0.00 C ATOM 714 C ASP A 48 5.249 -1.775 9.461 1.00 0.00 C ATOM 715 O ASP A 48 4.786 -2.796 9.959 1.00 0.00 O ATOM 716 CB ASP A 48 7.305 -1.770 7.997 1.00 0.00 C ATOM 717 CG ASP A 48 7.938 -1.767 6.596 1.00 0.00 C ATOM 718 OD1 ASP A 48 7.419 -2.439 5.690 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.984 -1.108 6.407 1.00 0.00 O ATOM 0 H ASP A 48 5.940 0.004 6.884 1.00 0.00 H new ATOM 0 HA ASP A 48 5.381 -2.651 7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.664 -0.898 8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.654 -2.651 8.536 1.00 0.00 H new ATOM 724 N LYS A 49 5.339 -0.604 10.108 1.00 0.00 N ATOM 725 CA LYS A 49 4.919 -0.419 11.507 1.00 0.00 C ATOM 726 C LYS A 49 3.386 -0.549 11.647 1.00 0.00 C ATOM 727 O LYS A 49 2.904 -1.278 12.523 1.00 0.00 O ATOM 728 CB LYS A 49 5.406 0.957 12.028 1.00 0.00 C ATOM 729 CG LYS A 49 6.939 1.135 12.019 1.00 0.00 C ATOM 730 CD LYS A 49 7.411 2.516 12.542 1.00 0.00 C ATOM 731 CE LYS A 49 7.309 2.694 14.081 1.00 0.00 C ATOM 732 NZ LYS A 49 5.909 2.755 14.585 1.00 0.00 N ATOM 0 H LYS A 49 5.706 0.244 9.676 1.00 0.00 H new ATOM 0 HA LYS A 49 5.373 -1.203 12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.958 1.742 11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.042 1.096 13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.390 0.352 12.629 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.306 0.997 11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.447 2.670 12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.819 3.294 12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.826 1.867 14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.829 3.608 14.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.851 3.439 15.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.276 3.053 13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.621 1.815 14.926 1.00 0.00 H new ATOM 746 N ALA A 50 2.632 0.130 10.753 1.00 0.00 N ATOM 747 CA ALA A 50 1.149 0.177 10.810 1.00 0.00 C ATOM 748 C ALA A 50 0.513 -1.219 10.662 1.00 0.00 C ATOM 749 O ALA A 50 -0.431 -1.562 11.378 1.00 0.00 O ATOM 750 CB ALA A 50 0.599 1.126 9.730 1.00 0.00 C ATOM 0 H ALA A 50 3.029 0.658 9.976 1.00 0.00 H new ATOM 0 HA ALA A 50 0.879 0.555 11.796 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.489 1.149 9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.992 2.130 9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.905 0.773 8.745 1.00 0.00 H new ATOM 756 N PHE A 51 1.039 -2.007 9.715 1.00 0.00 N ATOM 757 CA PHE A 51 0.537 -3.363 9.411 1.00 0.00 C ATOM 758 C PHE A 51 1.276 -4.451 10.206 1.00 0.00 C ATOM 759 O PHE A 51 0.827 -5.600 10.222 1.00 0.00 O ATOM 760 CB PHE A 51 0.637 -3.639 7.893 1.00 0.00 C ATOM 761 CG PHE A 51 -0.284 -2.759 7.045 1.00 0.00 C ATOM 762 CD1 PHE A 51 -1.619 -3.112 6.846 1.00 0.00 C ATOM 763 CD2 PHE A 51 0.184 -1.594 6.435 1.00 0.00 C ATOM 764 CE1 PHE A 51 -2.448 -2.330 6.067 1.00 0.00 C ATOM 765 CE2 PHE A 51 -0.648 -0.815 5.661 1.00 0.00 C ATOM 766 CZ PHE A 51 -1.960 -1.182 5.475 1.00 0.00 C ATOM 0 H PHE A 51 1.828 -1.725 9.133 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.509 -3.400 9.717 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.667 -3.486 7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.397 -4.686 7.707 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.008 -4.008 7.307 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.214 -1.299 6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.479 -2.616 5.920 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.269 0.085 5.200 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.610 -0.572 4.865 1.00 0.00 H new ATOM 776 N GLY A 52 2.395 -4.090 10.865 1.00 0.00 N ATOM 777 CA GLY A 52 3.188 -5.055 11.653 1.00 0.00 C ATOM 778 C GLY A 52 3.921 -6.077 10.789 1.00 0.00 C ATOM 779 O GLY A 52 4.134 -7.225 11.198 1.00 0.00 O ATOM 0 H GLY A 52 2.769 -3.141 10.868 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.915 -4.511 12.257 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.528 -5.579 12.344 1.00 0.00 H new ATOM 783 N ILE A 53 4.303 -5.640 9.584 1.00 0.00 N ATOM 784 CA ILE A 53 5.002 -6.461 8.577 1.00 0.00 C ATOM 785 C ILE A 53 6.371 -5.836 8.250 1.00 0.00 C ATOM 786 O ILE A 53 6.781 -4.859 8.872 1.00 0.00 O ATOM 787 CB ILE A 53 4.164 -6.586 7.247 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.887 -5.180 6.618 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.851 -7.360 7.486 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.256 -5.222 5.243 1.00 0.00 C ATOM 0 H ILE A 53 4.133 -4.684 9.270 1.00 0.00 H new ATOM 0 HA ILE A 53 5.133 -7.458 8.998 1.00 0.00 H new ATOM 0 HB ILE A 53 4.759 -7.156 6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.234 -4.619 7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.827 -4.632 6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.295 -7.430 6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.080 -8.362 7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.249 -6.835 8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.099 -4.205 4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.916 -5.752 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.298 -5.739 5.298 1.00 0.00 H new ATOM 802 N LYS A 54 7.082 -6.457 7.305 1.00 0.00 N ATOM 803 CA LYS A 54 8.254 -5.864 6.655 1.00 0.00 C ATOM 804 C LYS A 54 8.157 -6.125 5.149 1.00 0.00 C ATOM 805 O LYS A 54 8.274 -7.275 4.705 1.00 0.00 O ATOM 806 CB LYS A 54 9.580 -6.439 7.223 1.00 0.00 C ATOM 807 CG LYS A 54 10.858 -5.805 6.616 1.00 0.00 C ATOM 808 CD LYS A 54 12.164 -6.414 7.167 1.00 0.00 C ATOM 809 CE LYS A 54 12.321 -7.905 6.826 1.00 0.00 C ATOM 810 NZ LYS A 54 13.630 -8.435 7.270 1.00 0.00 N ATOM 0 H LYS A 54 6.859 -7.393 6.967 1.00 0.00 H new ATOM 0 HA LYS A 54 8.264 -4.792 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.593 -6.293 8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.602 -7.514 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.837 -5.928 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.853 -4.733 6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.014 -5.863 6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.188 -6.290 8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.520 -8.473 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.218 -8.045 5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.698 -9.443 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.395 -7.910 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.718 -8.325 8.300 1.00 0.00 H new ATOM 824 N LEU A 55 7.867 -5.063 4.381 1.00 0.00 N ATOM 825 CA LEU A 55 7.973 -5.079 2.923 1.00 0.00 C ATOM 826 C LEU A 55 9.436 -5.346 2.524 1.00 0.00 C ATOM 827 O LEU A 55 10.336 -4.687 3.067 1.00 0.00 O ATOM 828 CB LEU A 55 7.494 -3.725 2.313 1.00 0.00 C ATOM 829 CG LEU A 55 6.029 -3.299 2.638 1.00 0.00 C ATOM 830 CD1 LEU A 55 5.697 -1.913 2.026 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.028 -4.381 2.186 1.00 0.00 C ATOM 0 H LEU A 55 7.552 -4.170 4.759 1.00 0.00 H new ATOM 0 HA LEU A 55 7.333 -5.870 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.164 -2.938 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.601 -3.781 1.230 1.00 0.00 H new ATOM 0 HG LEU A 55 5.937 -3.201 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.669 -1.644 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.375 -1.163 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.813 -1.956 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.014 -4.060 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.118 -4.533 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.244 -5.315 2.704 1.00 0.00 H new ATOM 843 N PRO A 56 9.708 -6.347 1.634 1.00 0.00 N ATOM 844 CA PRO A 56 11.047 -6.547 1.030 1.00 0.00 C ATOM 845 C PRO A 56 11.376 -5.445 -0.005 1.00 0.00 C ATOM 846 O PRO A 56 11.657 -5.743 -1.159 1.00 0.00 O ATOM 847 CB PRO A 56 10.944 -7.964 0.375 1.00 0.00 C ATOM 848 CG PRO A 56 9.691 -8.570 0.936 1.00 0.00 C ATOM 849 CD PRO A 56 8.768 -7.410 1.206 1.00 0.00 C ATOM 0 HA PRO A 56 11.856 -6.484 1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.894 -7.892 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.816 -8.572 0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.244 -9.271 0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.899 -9.127 1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.207 -7.122 0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.039 -7.643 1.982 1.00 0.00 H new ATOM 857 N LEU A 57 11.376 -4.177 0.462 1.00 0.00 N ATOM 858 CA LEU A 57 11.562 -2.965 -0.368 1.00 0.00 C ATOM 859 C LEU A 57 12.941 -3.011 -1.048 1.00 0.00 C ATOM 860 O LEU A 57 13.074 -2.670 -2.224 1.00 0.00 O ATOM 861 CB LEU A 57 11.401 -1.695 0.550 1.00 0.00 C ATOM 862 CG LEU A 57 11.181 -0.287 -0.122 1.00 0.00 C ATOM 863 CD1 LEU A 57 12.449 0.282 -0.792 1.00 0.00 C ATOM 864 CD2 LEU A 57 9.988 -0.324 -1.093 1.00 0.00 C ATOM 0 H LEU A 57 11.244 -3.962 1.450 1.00 0.00 H new ATOM 0 HA LEU A 57 10.811 -2.918 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.558 -1.876 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.292 -1.626 1.174 1.00 0.00 H new ATOM 0 HG LEU A 57 10.946 0.407 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.223 1.253 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.235 0.397 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.787 -0.401 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.856 0.659 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.178 -1.060 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.084 -0.598 -0.549 1.00 0.00 H new ATOM 876 N GLU A 58 13.946 -3.463 -0.274 1.00 0.00 N ATOM 877 CA GLU A 58 15.335 -3.652 -0.748 1.00 0.00 C ATOM 878 C GLU A 58 15.382 -4.617 -1.960 1.00 0.00 C ATOM 879 O GLU A 58 16.030 -4.319 -2.978 1.00 0.00 O ATOM 880 CB GLU A 58 16.220 -4.180 0.424 1.00 0.00 C ATOM 881 CG GLU A 58 15.666 -5.442 1.121 1.00 0.00 C ATOM 882 CD GLU A 58 16.526 -5.923 2.295 1.00 0.00 C ATOM 883 OE1 GLU A 58 16.335 -5.421 3.423 1.00 0.00 O ATOM 884 OE2 GLU A 58 17.402 -6.799 2.098 1.00 0.00 O ATOM 0 H GLU A 58 13.818 -3.710 0.707 1.00 0.00 H new ATOM 0 HA GLU A 58 15.728 -2.692 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.217 -4.399 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.330 -3.389 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.658 -5.235 1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.584 -6.245 0.388 1.00 0.00 H new ATOM 891 N LYS A 59 14.650 -5.749 -1.845 1.00 0.00 N ATOM 892 CA LYS A 59 14.591 -6.784 -2.893 1.00 0.00 C ATOM 893 C LYS A 59 13.846 -6.261 -4.122 1.00 0.00 C ATOM 894 O LYS A 59 14.300 -6.445 -5.238 1.00 0.00 O ATOM 895 CB LYS A 59 13.895 -8.069 -2.370 1.00 0.00 C ATOM 896 CG LYS A 59 13.839 -9.231 -3.398 1.00 0.00 C ATOM 897 CD LYS A 59 13.106 -10.484 -2.862 1.00 0.00 C ATOM 898 CE LYS A 59 11.607 -10.242 -2.595 1.00 0.00 C ATOM 899 NZ LYS A 59 10.864 -9.911 -3.834 1.00 0.00 N ATOM 0 H LYS A 59 14.086 -5.967 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 59 15.615 -7.031 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.418 -8.414 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.878 -7.819 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.338 -8.884 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.855 -9.506 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.214 -11.296 -3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.585 -10.810 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.173 -11.132 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.494 -9.429 -1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.868 -9.723 -3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.282 -9.067 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.920 -10.711 -4.497 1.00 0.00 H new ATOM 913 N TRP A 60 12.719 -5.579 -3.867 1.00 0.00 N ATOM 914 CA TRP A 60 11.817 -5.049 -4.907 1.00 0.00 C ATOM 915 C TRP A 60 12.541 -4.059 -5.815 1.00 0.00 C ATOM 916 O TRP A 60 12.480 -4.179 -7.039 1.00 0.00 O ATOM 917 CB TRP A 60 10.589 -4.376 -4.249 1.00 0.00 C ATOM 918 CG TRP A 60 9.647 -5.327 -3.551 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.671 -6.696 -3.563 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.519 -4.958 -2.758 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.628 -7.188 -2.832 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.907 -6.145 -2.330 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.972 -3.734 -2.375 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.770 -6.148 -1.545 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.842 -3.737 -1.588 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.254 -4.937 -1.175 1.00 0.00 C ATOM 0 H TRP A 60 12.402 -5.376 -2.919 1.00 0.00 H new ATOM 0 HA TRP A 60 11.481 -5.883 -5.523 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.939 -3.638 -3.527 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.035 -3.834 -5.015 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.407 -7.298 -4.075 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.421 -8.176 -2.685 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.424 -2.805 -2.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.306 -7.073 -1.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.403 -2.798 -1.285 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.373 -4.906 -0.550 1.00 0.00 H new ATOM 937 N THR A 61 13.253 -3.110 -5.182 1.00 0.00 N ATOM 938 CA THR A 61 14.028 -2.073 -5.880 1.00 0.00 C ATOM 939 C THR A 61 15.167 -2.718 -6.693 1.00 0.00 C ATOM 940 O THR A 61 15.456 -2.283 -7.809 1.00 0.00 O ATOM 941 CB THR A 61 14.602 -1.019 -4.868 1.00 0.00 C ATOM 942 OG1 THR A 61 13.528 -0.483 -4.074 1.00 0.00 O ATOM 943 CG2 THR A 61 15.335 0.148 -5.565 1.00 0.00 C ATOM 0 H THR A 61 13.306 -3.042 -4.166 1.00 0.00 H new ATOM 0 HA THR A 61 13.360 -1.550 -6.564 1.00 0.00 H new ATOM 0 HB THR A 61 15.330 -1.541 -4.246 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.193 -1.176 -3.467 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.709 0.843 -4.814 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.170 -0.242 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.643 0.668 -6.228 1.00 0.00 H new ATOM 951 N GLN A 62 15.756 -3.807 -6.148 1.00 0.00 N ATOM 952 CA GLN A 62 16.855 -4.539 -6.802 1.00 0.00 C ATOM 953 C GLN A 62 16.338 -5.327 -8.032 1.00 0.00 C ATOM 954 O GLN A 62 17.026 -5.406 -9.049 1.00 0.00 O ATOM 955 CB GLN A 62 17.542 -5.490 -5.786 1.00 0.00 C ATOM 956 CG GLN A 62 18.753 -6.269 -6.351 1.00 0.00 C ATOM 957 CD GLN A 62 19.498 -7.109 -5.310 1.00 0.00 C ATOM 958 OE1 GLN A 62 19.544 -6.759 -4.131 1.00 0.00 O ATOM 959 NE2 GLN A 62 20.080 -8.220 -5.736 1.00 0.00 N ATOM 0 H GLN A 62 15.482 -4.198 -5.247 1.00 0.00 H new ATOM 0 HA GLN A 62 17.591 -3.817 -7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.871 -4.906 -4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.805 -6.205 -5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.408 -6.924 -7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.451 -5.560 -6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.022 -8.481 -6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.586 -8.815 -5.080 1.00 0.00 H new ATOM 968 N GLU A 63 15.123 -5.908 -7.917 1.00 0.00 N ATOM 969 CA GLU A 63 14.447 -6.638 -9.021 1.00 0.00 C ATOM 970 C GLU A 63 14.143 -5.699 -10.193 1.00 0.00 C ATOM 971 O GLU A 63 14.275 -6.080 -11.357 1.00 0.00 O ATOM 972 CB GLU A 63 13.143 -7.315 -8.513 1.00 0.00 C ATOM 973 CG GLU A 63 13.383 -8.439 -7.496 1.00 0.00 C ATOM 974 CD GLU A 63 12.098 -8.987 -6.865 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.488 -8.276 -6.042 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.679 -10.122 -7.195 1.00 0.00 O ATOM 0 H GLU A 63 14.579 -5.886 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 63 15.124 -7.415 -9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.505 -6.557 -8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.599 -7.720 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.912 -9.255 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.035 -8.068 -6.705 1.00 0.00 H new ATOM 983 N VAL A 64 13.753 -4.463 -9.864 1.00 0.00 N ATOM 984 CA VAL A 64 13.545 -3.407 -10.862 1.00 0.00 C ATOM 985 C VAL A 64 14.893 -3.063 -11.554 1.00 0.00 C ATOM 986 O VAL A 64 14.959 -2.976 -12.785 1.00 0.00 O ATOM 987 CB VAL A 64 12.896 -2.130 -10.211 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.717 -0.991 -11.240 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.548 -2.481 -9.532 1.00 0.00 C ATOM 0 H VAL A 64 13.573 -4.167 -8.905 1.00 0.00 H new ATOM 0 HA VAL A 64 12.849 -3.772 -11.618 1.00 0.00 H new ATOM 0 HB VAL A 64 13.582 -1.770 -9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.266 -0.127 -10.752 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.689 -0.712 -11.646 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.069 -1.330 -12.049 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.119 -1.582 -9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.860 -2.883 -10.276 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.716 -3.225 -8.753 1.00 0.00 H new ATOM 999 N ASN A 65 15.964 -2.926 -10.731 1.00 0.00 N ATOM 1000 CA ASN A 65 17.343 -2.623 -11.213 1.00 0.00 C ATOM 1001 C ASN A 65 17.871 -3.690 -12.200 1.00 0.00 C ATOM 1002 O ASN A 65 18.421 -3.345 -13.252 1.00 0.00 O ATOM 1003 CB ASN A 65 18.340 -2.485 -10.022 1.00 0.00 C ATOM 1004 CG ASN A 65 18.048 -1.293 -9.110 1.00 0.00 C ATOM 1005 OD1 ASN A 65 17.555 -0.258 -9.553 1.00 0.00 O ATOM 1006 ND2 ASN A 65 18.354 -1.431 -7.824 1.00 0.00 N ATOM 0 H ASN A 65 15.900 -3.021 -9.717 1.00 0.00 H new ATOM 0 HA ASN A 65 17.276 -1.673 -11.743 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.313 -3.399 -9.429 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.352 -2.390 -10.416 1.00 0.00 H new ATOM 0 HD21 ASN A 65 18.181 -0.665 -7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.762 -2.303 -7.488 1.00 0.00 H new ATOM 1013 N ASP A 66 17.698 -4.983 -11.858 1.00 0.00 N ATOM 1014 CA ASP A 66 18.209 -6.121 -12.668 1.00 0.00 C ATOM 1015 C ASP A 66 17.291 -6.462 -13.860 1.00 0.00 C ATOM 1016 O ASP A 66 17.629 -7.335 -14.667 1.00 0.00 O ATOM 1017 CB ASP A 66 18.382 -7.388 -11.783 1.00 0.00 C ATOM 1018 CG ASP A 66 19.473 -7.268 -10.702 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.658 -7.104 -11.066 1.00 0.00 O ATOM 1020 OD2 ASP A 66 19.172 -7.394 -9.495 1.00 0.00 O ATOM 0 H ASP A 66 17.202 -5.273 -11.015 1.00 0.00 H new ATOM 0 HA ASP A 66 19.174 -5.805 -13.066 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.431 -7.610 -11.299 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.617 -8.236 -12.426 1.00 0.00 H new ATOM 1025 N GLY A 67 16.161 -5.753 -13.983 1.00 0.00 N ATOM 1026 CA GLY A 67 15.142 -6.071 -14.984 1.00 0.00 C ATOM 1027 C GLY A 67 14.462 -7.423 -14.771 1.00 0.00 C ATOM 1028 O GLY A 67 14.042 -8.076 -15.735 1.00 0.00 O ATOM 0 H GLY A 67 15.932 -4.951 -13.396 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.383 -5.289 -14.976 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.602 -6.059 -15.972 1.00 0.00 H new ATOM 1032 N LYS A 68 14.390 -7.853 -13.503 1.00 0.00 N ATOM 1033 CA LYS A 68 13.621 -9.040 -13.087 1.00 0.00 C ATOM 1034 C LYS A 68 12.113 -8.712 -13.093 1.00 0.00 C ATOM 1035 O LYS A 68 11.276 -9.571 -13.382 1.00 0.00 O ATOM 1036 CB LYS A 68 14.035 -9.480 -11.659 1.00 0.00 C ATOM 1037 CG LYS A 68 15.528 -9.825 -11.470 1.00 0.00 C ATOM 1038 CD LYS A 68 15.846 -10.258 -10.015 1.00 0.00 C ATOM 1039 CE LYS A 68 17.332 -10.567 -9.785 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.589 -11.005 -8.390 1.00 0.00 N ATOM 0 H LYS A 68 14.866 -7.386 -12.731 1.00 0.00 H new ATOM 0 HA LYS A 68 13.829 -9.849 -13.787 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.775 -8.682 -10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.442 -10.351 -11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.804 -10.627 -12.155 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.136 -8.959 -11.731 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.536 -9.467 -9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.256 -11.141 -9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.654 -11.346 -10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.927 -9.680 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.602 -11.205 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.305 -10.252 -7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.040 -11.865 -8.190 1.00 0.00 H new ATOM 1054 N ALA A 69 11.802 -7.447 -12.749 1.00 0.00 N ATOM 1055 CA ALA A 69 10.429 -6.937 -12.658 1.00 0.00 C ATOM 1056 C ALA A 69 10.382 -5.444 -13.019 1.00 0.00 C ATOM 1057 O ALA A 69 11.417 -4.766 -13.057 1.00 0.00 O ATOM 1058 CB ALA A 69 9.873 -7.168 -11.239 1.00 0.00 C ATOM 0 H ALA A 69 12.509 -6.746 -12.525 1.00 0.00 H new ATOM 0 HA ALA A 69 9.807 -7.479 -13.371 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.854 -6.786 -11.181 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.874 -8.235 -11.017 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.498 -6.646 -10.514 1.00 0.00 H new ATOM 1064 N THR A 70 9.169 -4.957 -13.303 1.00 0.00 N ATOM 1065 CA THR A 70 8.877 -3.540 -13.553 1.00 0.00 C ATOM 1066 C THR A 70 8.557 -2.840 -12.223 1.00 0.00 C ATOM 1067 O THR A 70 8.120 -3.487 -11.260 1.00 0.00 O ATOM 1068 CB THR A 70 7.674 -3.412 -14.564 1.00 0.00 C ATOM 1069 OG1 THR A 70 7.936 -4.236 -15.708 1.00 0.00 O ATOM 1070 CG2 THR A 70 7.433 -1.965 -15.043 1.00 0.00 C ATOM 0 H THR A 70 8.343 -5.551 -13.367 1.00 0.00 H new ATOM 0 HA THR A 70 9.747 -3.057 -13.998 1.00 0.00 H new ATOM 0 HB THR A 70 6.777 -3.732 -14.034 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.191 -4.163 -16.341 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.592 -1.946 -15.736 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.211 -1.330 -14.185 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.326 -1.595 -15.546 1.00 0.00 H new ATOM 1078 N THR A 71 8.783 -1.521 -12.186 1.00 0.00 N ATOM 1079 CA THR A 71 8.550 -0.690 -11.003 1.00 0.00 C ATOM 1080 C THR A 71 7.056 -0.738 -10.597 1.00 0.00 C ATOM 1081 O THR A 71 6.733 -0.787 -9.423 1.00 0.00 O ATOM 1082 CB THR A 71 8.999 0.788 -11.278 1.00 0.00 C ATOM 1083 OG1 THR A 71 10.041 0.812 -12.268 1.00 0.00 O ATOM 1084 CG2 THR A 71 9.524 1.466 -10.008 1.00 0.00 C ATOM 0 H THR A 71 9.137 -0.997 -12.986 1.00 0.00 H new ATOM 0 HA THR A 71 9.144 -1.083 -10.178 1.00 0.00 H new ATOM 0 HB THR A 71 8.122 1.330 -11.632 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.313 1.739 -12.434 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.825 2.488 -10.239 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.739 1.481 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.382 0.912 -9.628 1.00 0.00 H new ATOM 1092 N GLU A 72 6.177 -0.740 -11.622 1.00 0.00 N ATOM 1093 CA GLU A 72 4.707 -0.931 -11.502 1.00 0.00 C ATOM 1094 C GLU A 72 4.357 -2.075 -10.531 1.00 0.00 C ATOM 1095 O GLU A 72 3.582 -1.889 -9.572 1.00 0.00 O ATOM 1096 CB GLU A 72 4.147 -1.213 -12.940 1.00 0.00 C ATOM 1097 CG GLU A 72 2.604 -1.243 -13.114 1.00 0.00 C ATOM 1098 CD GLU A 72 1.884 -2.487 -12.543 1.00 0.00 C ATOM 1099 OE1 GLU A 72 2.131 -3.600 -13.039 1.00 0.00 O ATOM 1100 OE2 GLU A 72 1.072 -2.354 -11.599 1.00 0.00 O ATOM 0 H GLU A 72 6.476 -0.605 -12.588 1.00 0.00 H new ATOM 0 HA GLU A 72 4.250 -0.033 -11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.547 -0.453 -13.612 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.542 -2.173 -13.273 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.187 -0.355 -12.638 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.376 -1.172 -14.178 1.00 0.00 H new ATOM 1107 N GLN A 73 5.004 -3.226 -10.770 1.00 0.00 N ATOM 1108 CA GLN A 73 4.682 -4.507 -10.114 1.00 0.00 C ATOM 1109 C GLN A 73 4.844 -4.490 -8.577 1.00 0.00 C ATOM 1110 O GLN A 73 4.382 -5.421 -7.914 1.00 0.00 O ATOM 1111 CB GLN A 73 5.522 -5.655 -10.728 1.00 0.00 C ATOM 1112 CG GLN A 73 5.282 -5.879 -12.239 1.00 0.00 C ATOM 1113 CD GLN A 73 5.949 -7.146 -12.775 1.00 0.00 C ATOM 1114 OE1 GLN A 73 7.076 -7.117 -13.259 1.00 0.00 O ATOM 1115 NE2 GLN A 73 5.256 -8.276 -12.687 1.00 0.00 N ATOM 0 H GLN A 73 5.776 -3.296 -11.433 1.00 0.00 H new ATOM 0 HA GLN A 73 3.622 -4.677 -10.302 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.579 -5.443 -10.567 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.298 -6.579 -10.195 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.209 -5.935 -12.425 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.657 -5.017 -12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.321 -8.270 -12.280 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.659 -9.149 -13.027 1.00 0.00 H new ATOM 1124 N TYR A 74 5.550 -3.489 -8.020 1.00 0.00 N ATOM 1125 CA TYR A 74 5.645 -3.319 -6.550 1.00 0.00 C ATOM 1126 C TYR A 74 5.245 -1.908 -6.080 1.00 0.00 C ATOM 1127 O TYR A 74 4.907 -1.731 -4.906 1.00 0.00 O ATOM 1128 CB TYR A 74 7.091 -3.630 -6.095 1.00 0.00 C ATOM 1129 CG TYR A 74 7.601 -5.008 -6.544 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.990 -6.176 -6.083 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.673 -5.139 -7.440 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.427 -7.416 -6.491 1.00 0.00 C ATOM 1133 CE2 TYR A 74 9.106 -6.380 -7.848 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.485 -7.512 -7.372 1.00 0.00 C ATOM 1135 OH TYR A 74 8.923 -8.751 -7.778 1.00 0.00 O ATOM 0 H TYR A 74 6.061 -2.788 -8.557 1.00 0.00 H new ATOM 0 HA TYR A 74 4.938 -4.014 -6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.758 -2.861 -6.486 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.140 -3.572 -5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.161 -6.105 -5.395 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.165 -4.254 -7.815 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.944 -8.309 -6.123 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.931 -6.465 -8.540 1.00 0.00 H new ATOM 0 HH TYR A 74 9.674 -8.645 -8.398 1.00 0.00 H new ATOM 1145 N PHE A 75 5.281 -0.903 -6.978 1.00 0.00 N ATOM 1146 CA PHE A 75 5.191 0.529 -6.593 1.00 0.00 C ATOM 1147 C PHE A 75 3.925 1.208 -7.184 1.00 0.00 C ATOM 1148 O PHE A 75 3.868 2.437 -7.287 1.00 0.00 O ATOM 1149 CB PHE A 75 6.491 1.276 -7.039 1.00 0.00 C ATOM 1150 CG PHE A 75 7.790 0.768 -6.384 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.517 -0.293 -6.933 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.287 1.354 -5.218 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.683 -0.744 -6.348 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.456 0.901 -4.635 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.154 -0.149 -5.198 1.00 0.00 C ATOM 0 H PHE A 75 5.372 -1.054 -7.983 1.00 0.00 H new ATOM 0 HA PHE A 75 5.101 0.587 -5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.589 1.189 -8.121 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.378 2.336 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.159 -0.769 -7.834 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.750 2.174 -4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.227 -1.564 -6.792 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.825 1.371 -3.735 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.065 -0.502 -4.739 1.00 0.00 H new ATOM 1165 N VAL A 76 2.909 0.402 -7.556 1.00 0.00 N ATOM 1166 CA VAL A 76 1.525 0.901 -7.798 1.00 0.00 C ATOM 1167 C VAL A 76 0.701 0.648 -6.530 1.00 0.00 C ATOM 1168 O VAL A 76 0.941 -0.317 -5.851 1.00 0.00 O ATOM 1169 CB VAL A 76 0.861 0.215 -9.060 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.678 0.393 -9.115 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.491 0.749 -10.359 1.00 0.00 C ATOM 0 H VAL A 76 3.015 -0.603 -7.698 1.00 0.00 H new ATOM 0 HA VAL A 76 1.558 1.968 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 76 1.056 -0.853 -8.962 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.070 -0.101 -10.004 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.127 -0.050 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.920 1.455 -9.153 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.022 0.266 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.338 1.826 -10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.559 0.533 -10.361 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.258 1.530 -6.237 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.046 1.535 -4.982 1.00 0.00 C ATOM 1183 C LEU A 77 -1.810 0.225 -4.710 1.00 0.00 C ATOM 1184 O LEU A 77 -1.656 -0.352 -3.638 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.006 2.757 -4.976 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.448 4.028 -4.290 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.271 3.784 -2.778 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.138 4.512 -4.950 1.00 0.00 C ATOM 0 H LEU A 77 -0.521 2.282 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.331 1.618 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.263 3.002 -6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.931 2.470 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.174 4.830 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.878 4.685 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.235 3.534 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.575 2.960 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.219 5.406 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.616 3.728 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.323 4.744 -5.999 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.634 -0.219 -5.673 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.432 -1.474 -5.550 1.00 0.00 C ATOM 1202 C LYS A 78 -2.507 -2.696 -5.382 1.00 0.00 C ATOM 1203 O LYS A 78 -2.804 -3.627 -4.624 1.00 0.00 O ATOM 1204 CB LYS A 78 -4.317 -1.661 -6.817 1.00 0.00 C ATOM 1205 CG LYS A 78 -3.497 -1.764 -8.128 1.00 0.00 C ATOM 1206 CD LYS A 78 -4.344 -1.917 -9.395 1.00 0.00 C ATOM 1207 CE LYS A 78 -3.469 -1.897 -10.661 1.00 0.00 C ATOM 1208 NZ LYS A 78 -4.281 -2.047 -11.883 1.00 0.00 N ATOM 0 H LYS A 78 -2.773 0.270 -6.557 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.067 -1.394 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.919 -2.562 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.010 -0.823 -6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.878 -0.872 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.821 -2.615 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.902 -2.853 -9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.077 -1.111 -9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.913 -0.960 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.735 -2.701 -10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.660 -2.029 -12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.792 -2.952 -11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.964 -1.265 -11.944 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.376 -2.630 -6.092 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.421 -3.724 -6.248 1.00 0.00 C ATOM 1224 C ASN A 79 0.414 -3.872 -4.964 1.00 0.00 C ATOM 1225 O ASN A 79 0.585 -4.970 -4.444 1.00 0.00 O ATOM 1226 CB ASN A 79 0.463 -3.406 -7.490 1.00 0.00 C ATOM 1227 CG ASN A 79 1.271 -4.588 -8.009 1.00 0.00 C ATOM 1228 OD1 ASN A 79 1.648 -5.478 -7.262 1.00 0.00 O ATOM 1229 ND2 ASN A 79 1.554 -4.596 -9.302 1.00 0.00 N ATOM 0 H ASN A 79 -1.094 -1.785 -6.589 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.928 -4.676 -6.408 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.178 -3.040 -8.292 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.148 -2.598 -7.235 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.101 -5.360 -9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.225 -3.839 -9.901 1.00 0.00 H new ATOM 1236 N LEU A 80 0.900 -2.725 -4.482 1.00 0.00 N ATOM 1237 CA LEU A 80 1.605 -2.566 -3.202 1.00 0.00 C ATOM 1238 C LEU A 80 0.702 -3.027 -2.054 1.00 0.00 C ATOM 1239 O LEU A 80 1.121 -3.809 -1.215 1.00 0.00 O ATOM 1240 CB LEU A 80 2.014 -1.072 -3.008 1.00 0.00 C ATOM 1241 CG LEU A 80 2.737 -0.693 -1.673 1.00 0.00 C ATOM 1242 CD1 LEU A 80 4.037 -1.500 -1.481 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.989 0.835 -1.583 1.00 0.00 C ATOM 0 H LEU A 80 0.811 -1.846 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 80 2.507 -3.178 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.665 -0.790 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.114 -0.463 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 80 2.072 -0.962 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.511 -1.209 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.804 -2.564 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.717 -1.298 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.493 1.066 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.615 1.150 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.037 1.364 -1.624 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.563 -2.568 -2.080 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.590 -2.927 -1.080 1.00 0.00 C ATOM 1257 C ALA A 81 -1.866 -4.441 -1.085 1.00 0.00 C ATOM 1258 O ALA A 81 -2.158 -5.024 -0.042 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.889 -2.136 -1.326 1.00 0.00 C ATOM 0 H ALA A 81 -0.905 -1.932 -2.801 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.206 -2.660 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.632 -2.415 -0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.684 -1.068 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.271 -2.364 -2.321 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.760 -5.065 -2.274 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.885 -6.526 -2.422 1.00 0.00 C ATOM 1267 C ALA A 82 -0.689 -7.238 -1.756 1.00 0.00 C ATOM 1268 O ALA A 82 -0.880 -8.186 -0.997 1.00 0.00 O ATOM 1269 CB ALA A 82 -2.000 -6.913 -3.904 1.00 0.00 C ATOM 0 H ALA A 82 -1.587 -4.575 -3.151 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.797 -6.849 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.091 -7.996 -3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.881 -6.438 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.110 -6.580 -4.437 1.00 0.00 H new ATOM 1275 N ARG A 83 0.539 -6.734 -2.032 1.00 0.00 N ATOM 1276 CA ARG A 83 1.793 -7.261 -1.437 1.00 0.00 C ATOM 1277 C ARG A 83 1.718 -7.240 0.103 1.00 0.00 C ATOM 1278 O ARG A 83 2.032 -8.230 0.767 1.00 0.00 O ATOM 1279 CB ARG A 83 3.035 -6.435 -1.898 1.00 0.00 C ATOM 1280 CG ARG A 83 3.278 -6.314 -3.429 1.00 0.00 C ATOM 1281 CD ARG A 83 3.586 -7.648 -4.136 1.00 0.00 C ATOM 1282 NE ARG A 83 2.425 -8.558 -4.178 1.00 0.00 N ATOM 1283 CZ ARG A 83 1.528 -8.649 -5.177 1.00 0.00 C ATOM 1284 NH1 ARG A 83 1.623 -7.903 -6.262 1.00 0.00 N ATOM 1285 NH2 ARG A 83 0.518 -9.486 -5.075 1.00 0.00 N ATOM 0 H ARG A 83 0.688 -5.953 -2.671 1.00 0.00 H new ATOM 0 HA ARG A 83 1.905 -8.288 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.942 -5.429 -1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.923 -6.880 -1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.396 -5.869 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.107 -5.628 -3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.919 -7.445 -5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.411 -8.143 -3.623 1.00 0.00 H new ATOM 0 HE ARG A 83 2.290 -9.174 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.390 -7.238 -6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.929 -7.992 -7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.417 -10.064 -4.240 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.164 -9.557 -5.830 1.00 0.00 H new ATOM 1299 N ILE A 84 1.254 -6.096 0.622 1.00 0.00 N ATOM 1300 CA ILE A 84 1.072 -5.837 2.058 1.00 0.00 C ATOM 1301 C ILE A 84 0.057 -6.828 2.652 1.00 0.00 C ATOM 1302 O ILE A 84 0.342 -7.486 3.646 1.00 0.00 O ATOM 1303 CB ILE A 84 0.571 -4.354 2.264 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.655 -3.338 1.783 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.151 -4.081 3.724 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.191 -1.908 1.624 1.00 0.00 C ATOM 0 H ILE A 84 0.987 -5.302 0.039 1.00 0.00 H new ATOM 0 HA ILE A 84 2.024 -5.970 2.571 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.321 -4.219 1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.482 -3.355 2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.049 -3.681 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.186 -3.049 3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.660 -4.755 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.002 -4.246 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.024 -1.291 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.387 -1.866 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.827 -1.535 2.581 1.00 0.00 H new ATOM 1318 N ASP A 85 -1.096 -6.946 1.974 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.239 -7.787 2.405 1.00 0.00 C ATOM 1320 C ASP A 85 -1.831 -9.273 2.528 1.00 0.00 C ATOM 1321 O ASP A 85 -2.264 -9.972 3.448 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.403 -7.621 1.389 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.716 -8.313 1.808 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.510 -7.699 2.553 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.967 -9.459 1.380 1.00 0.00 O ATOM 0 H ASP A 85 -1.269 -6.455 1.097 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.565 -7.459 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.596 -6.558 1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.088 -8.020 0.425 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.971 -9.717 1.591 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.436 -11.095 1.559 1.00 0.00 C ATOM 1332 C GLU A 86 0.542 -11.337 2.722 1.00 0.00 C ATOM 1333 O GLU A 86 0.553 -12.419 3.291 1.00 0.00 O ATOM 1334 CB GLU A 86 0.284 -11.359 0.213 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.623 -11.282 -1.029 1.00 0.00 C ATOM 1336 CD GLU A 86 0.140 -11.329 -2.363 1.00 0.00 C ATOM 1337 OE1 GLU A 86 1.215 -10.698 -2.470 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -0.345 -11.956 -3.336 1.00 0.00 O ATOM 0 H GLU A 86 -0.626 -9.129 0.832 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.276 -11.782 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.092 -10.636 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.743 -12.347 0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.334 -12.108 -0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.203 -10.360 -0.986 1.00 0.00 H new ATOM 1345 N LEU A 87 1.380 -10.322 3.035 1.00 0.00 N ATOM 1346 CA LEU A 87 2.342 -10.396 4.169 1.00 0.00 C ATOM 1347 C LEU A 87 1.596 -10.415 5.521 1.00 0.00 C ATOM 1348 O LEU A 87 2.039 -11.076 6.473 1.00 0.00 O ATOM 1349 CB LEU A 87 3.362 -9.221 4.122 1.00 0.00 C ATOM 1350 CG LEU A 87 4.262 -9.136 2.848 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.264 -7.972 2.951 1.00 0.00 C ATOM 1352 CD2 LEU A 87 4.972 -10.479 2.550 1.00 0.00 C ATOM 0 H LEU A 87 1.413 -9.441 2.521 1.00 0.00 H new ATOM 0 HA LEU A 87 2.899 -11.328 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.810 -8.285 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.011 -9.296 4.995 1.00 0.00 H new ATOM 0 HG LEU A 87 3.607 -8.932 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.876 -7.938 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.721 -7.033 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.905 -8.120 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.587 -10.375 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.604 -10.752 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.226 -11.257 2.388 1.00 0.00 H new ATOM 1364 N VAL A 88 0.459 -9.691 5.578 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.439 -9.667 6.749 1.00 0.00 C ATOM 1366 C VAL A 88 -1.133 -11.045 6.898 1.00 0.00 C ATOM 1367 O VAL A 88 -1.250 -11.585 8.007 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.497 -8.489 6.642 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.500 -8.501 7.824 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.787 -7.109 6.555 1.00 0.00 C ATOM 0 H VAL A 88 0.137 -9.104 4.808 1.00 0.00 H new ATOM 0 HA VAL A 88 0.153 -9.476 7.644 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.062 -8.652 5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.206 -7.678 7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.043 -9.446 7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.958 -8.387 8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.535 -6.319 6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.181 -6.955 7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.146 -7.084 5.673 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.532 -11.626 5.751 1.00 0.00 N ATOM 1381 CA ALA A 89 -2.170 -12.961 5.687 1.00 0.00 C ATOM 1382 C ALA A 89 -1.189 -14.077 6.094 1.00 0.00 C ATOM 1383 O ALA A 89 -1.566 -15.024 6.787 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.712 -13.229 4.269 1.00 0.00 C ATOM 0 H ALA A 89 -1.422 -11.184 4.838 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.998 -12.965 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.178 -14.214 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.451 -12.470 4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.891 -13.193 3.553 1.00 0.00 H new ATOM 1390 N ALA A 90 0.066 -13.944 5.638 1.00 0.00 N ATOM 1391 CA ALA A 90 1.140 -14.926 5.873 1.00 0.00 C ATOM 1392 C ALA A 90 1.565 -14.965 7.352 1.00 0.00 C ATOM 1393 O ALA A 90 1.885 -16.034 7.880 1.00 0.00 O ATOM 1394 CB ALA A 90 2.353 -14.603 4.977 1.00 0.00 C ATOM 0 H ALA A 90 0.369 -13.141 5.088 1.00 0.00 H new ATOM 0 HA ALA A 90 0.753 -15.912 5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.142 -15.333 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.053 -14.643 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.722 -13.604 5.211 1.00 0.00 H new ATOM 1400 N LYS A 91 1.567 -13.787 8.014 1.00 0.00 N ATOM 1401 CA LYS A 91 1.995 -13.672 9.426 1.00 0.00 C ATOM 1402 C LYS A 91 0.834 -14.017 10.381 1.00 0.00 C ATOM 1403 O LYS A 91 1.057 -14.552 11.473 1.00 0.00 O ATOM 1404 CB LYS A 91 2.534 -12.246 9.735 1.00 0.00 C ATOM 1405 CG LYS A 91 1.460 -11.137 9.791 1.00 0.00 C ATOM 1406 CD LYS A 91 2.016 -9.774 10.231 1.00 0.00 C ATOM 1407 CE LYS A 91 0.914 -8.724 10.414 1.00 0.00 C ATOM 1408 NZ LYS A 91 -0.078 -9.130 11.441 1.00 0.00 N ATOM 0 H LYS A 91 1.278 -12.904 7.594 1.00 0.00 H new ATOM 0 HA LYS A 91 2.803 -14.387 9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.058 -12.272 10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.269 -11.980 8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.002 -11.034 8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.671 -11.439 10.480 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.560 -9.892 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.732 -9.420 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.364 -7.773 10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.406 -8.563 9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.638 -8.302 11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.710 -9.855 11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.418 -9.517 12.269 1.00 0.00 H new