USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 463 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 22 ASN : amide:sc= -0.993 X(o=-3.7,f=-4) USER MOD Set 1.2: A 53 ASN : amide:sc= -2.69! C(o=-3.7!,f=-8.2!) USER MOD Set 2.1: A 41 GLN : amide:sc= -0.298 X(o=-2.5,f=-2.1) USER MOD Set 2.2: A 44 ASN : amide:sc= -2.22! C(o=-2.5!,f=-5.9!) USER MOD Set 3.1: A 24 ASN : amide:sc= -4.93! C(o=-6.8!,f=-17!) USER MOD Set 3.2: A 27 GLN :FLIP amide:sc= -1.85! C(o=-7.4!,f=-6.8!) USER MOD Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.698! C(o=-0.7!,f=-0.7!) USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= -0.238 (180deg=-1.34) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.477! C(o=-10!,f=-0.48!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -5.68! C(o=-5.7!,f=-6.4!) USER MOD Single : A 11 GLN :FLIP amide:sc= -4.84! C(o=-6.3!,f=-4.8!) USER MOD Single : A 12 ASN :FLIP amide:sc= -3.9! C(o=-9.6!,f=-3.9!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-3.5!) USER MOD Single : A 29 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.3!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 51:sc= 0.199 USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= -1.04 (180deg=-2.37!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -103:sc= 0.361! USER MOD Single : A 50 LYS NZ :NH3+ 157:sc= -0.182 (180deg=-0.51) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -5.8! C(o=-10!,f=-5.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 25.464 -2.831 -0.762 1.00 1.00 N ATOM 2 CA THR A 1 24.117 -2.349 -0.380 1.00 1.00 C ATOM 3 C THR A 1 24.092 -1.974 1.097 1.00 1.00 C ATOM 4 O THR A 1 23.801 -2.799 1.943 1.00 1.00 O ATOM 5 CB THR A 1 23.084 -3.455 -0.622 1.00 1.00 C ATOM 6 OG1 THR A 1 22.992 -3.583 -2.028 1.00 1.00 O ATOM 7 CG2 THR A 1 21.688 -3.000 -0.182 1.00 1.00 C ATOM 0 H1 THR A 1 25.469 -3.084 -1.771 1.00 1.00 H new ATOM 0 H2 THR A 1 26.163 -2.081 -0.589 1.00 1.00 H new ATOM 0 H3 THR A 1 25.707 -3.668 -0.194 1.00 1.00 H new ATOM 0 HA THR A 1 23.878 -1.474 -0.984 1.00 1.00 H new ATOM 0 HB THR A 1 23.378 -4.358 -0.088 1.00 1.00 H new ATOM 0 HG1 THR A 1 22.343 -4.282 -2.251 1.00 1.00 H new ATOM 0 HG21 THR A 1 20.971 -3.800 -0.363 1.00 1.00 H new ATOM 0 HG22 THR A 1 21.702 -2.759 0.881 1.00 1.00 H new ATOM 0 HG23 THR A 1 21.397 -2.117 -0.751 1.00 1.00 H new ATOM 17 N ALA A 2 24.407 -0.732 1.377 1.00 1.00 N ATOM 18 CA ALA A 2 24.411 -0.262 2.792 1.00 1.00 C ATOM 19 C ALA A 2 23.342 0.806 3.005 1.00 1.00 C ATOM 20 O ALA A 2 23.464 1.645 3.876 1.00 1.00 O ATOM 21 CB ALA A 2 25.790 0.349 3.091 1.00 1.00 C ATOM 0 H ALA A 2 24.661 -0.027 0.685 1.00 1.00 H new ATOM 0 HA ALA A 2 24.203 -1.103 3.453 1.00 1.00 H new ATOM 0 HB1 ALA A 2 25.816 0.700 4.122 1.00 1.00 H new ATOM 0 HB2 ALA A 2 26.562 -0.406 2.945 1.00 1.00 H new ATOM 0 HB3 ALA A 2 25.970 1.187 2.418 1.00 1.00 H new ATOM 27 N ASP A 3 22.308 0.747 2.202 1.00 1.00 N ATOM 28 CA ASP A 3 21.213 1.750 2.332 1.00 1.00 C ATOM 29 C ASP A 3 20.014 1.157 3.073 1.00 1.00 C ATOM 30 O ASP A 3 19.647 0.021 2.855 1.00 1.00 O ATOM 31 CB ASP A 3 20.766 2.152 0.918 1.00 1.00 C ATOM 32 CG ASP A 3 20.979 3.655 0.727 1.00 1.00 C ATOM 33 OD1 ASP A 3 20.260 4.391 1.382 1.00 1.00 O ATOM 34 OD2 ASP A 3 21.847 3.981 -0.067 1.00 1.00 O ATOM 0 H ASP A 3 22.178 0.051 1.468 1.00 1.00 H new ATOM 0 HA ASP A 3 21.579 2.609 2.894 1.00 1.00 H new ATOM 0 HB2 ASP A 3 21.334 1.595 0.173 1.00 1.00 H new ATOM 0 HB3 ASP A 3 19.716 1.901 0.771 1.00 1.00 H new ATOM 39 N ASN A 4 19.426 1.941 3.933 1.00 1.00 N ATOM 40 CA ASN A 4 18.250 1.434 4.689 1.00 1.00 C ATOM 41 C ASN A 4 17.084 1.164 3.743 1.00 1.00 C ATOM 42 O ASN A 4 16.122 0.515 4.103 1.00 1.00 O ATOM 43 CB ASN A 4 17.826 2.502 5.718 1.00 1.00 C ATOM 44 CG ASN A 4 18.831 3.653 5.707 1.00 1.00 C ATOM 45 OD1 ASN A 4 18.614 4.675 5.086 1.00 1.00 O ATOM 46 ND2 ASN A 4 19.944 3.531 6.377 1.00 1.00 N ATOM 0 H ASN A 4 19.705 2.899 4.143 1.00 1.00 H new ATOM 0 HA ASN A 4 18.520 0.504 5.190 1.00 1.00 H new ATOM 0 HB2 ASN A 4 16.829 2.874 5.481 1.00 1.00 H new ATOM 0 HB3 ASN A 4 17.773 2.061 6.714 1.00 1.00 H new ATOM 0 HD21 ASN A 4 20.625 4.290 6.377 1.00 1.00 H new ATOM 0 HD22 ASN A 4 20.133 2.676 6.901 1.00 1.00 H new ATOM 53 N LYS A 5 17.196 1.669 2.544 1.00 1.00 N ATOM 54 CA LYS A 5 16.111 1.457 1.552 1.00 1.00 C ATOM 55 C LYS A 5 14.763 1.881 2.118 1.00 1.00 C ATOM 56 O LYS A 5 14.647 2.173 3.287 1.00 1.00 O ATOM 57 CB LYS A 5 16.053 -0.043 1.209 1.00 1.00 C ATOM 58 CG LYS A 5 15.105 -0.271 0.017 1.00 1.00 C ATOM 59 CD LYS A 5 15.622 -1.449 -0.818 1.00 1.00 C ATOM 60 CE LYS A 5 15.658 -2.712 0.048 1.00 1.00 C ATOM 61 NZ LYS A 5 14.402 -2.844 0.836 1.00 1.00 N ATOM 0 H LYS A 5 17.990 2.217 2.212 1.00 1.00 H new ATOM 0 HA LYS A 5 16.320 2.057 0.666 1.00 1.00 H new ATOM 0 HB2 LYS A 5 17.051 -0.408 0.967 1.00 1.00 H new ATOM 0 HB3 LYS A 5 15.707 -0.610 2.074 1.00 1.00 H new ATOM 0 HG2 LYS A 5 14.096 -0.477 0.373 1.00 1.00 H new ATOM 0 HG3 LYS A 5 15.049 0.628 -0.596 1.00 1.00 H new ATOM 0 HD2 LYS A 5 14.977 -1.606 -1.683 1.00 1.00 H new ATOM 0 HD3 LYS A 5 16.619 -1.228 -1.200 1.00 1.00 H new ATOM 0 HE2 LYS A 5 15.790 -3.590 -0.585 1.00 1.00 H new ATOM 0 HE3 LYS A 5 16.514 -2.673 0.722 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 14.243 -3.845 1.070 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 14.483 -2.291 1.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 13.601 -2.488 0.275 1.00 1.00 H new ATOM 75 N PHE A 6 13.769 1.882 1.264 1.00 1.00 N ATOM 76 CA PHE A 6 12.398 2.276 1.684 1.00 1.00 C ATOM 77 C PHE A 6 12.416 3.396 2.702 1.00 1.00 C ATOM 78 O PHE A 6 12.691 3.212 3.866 1.00 1.00 O ATOM 79 CB PHE A 6 11.701 1.044 2.248 1.00 1.00 C ATOM 80 CG PHE A 6 11.217 0.121 1.092 1.00 1.00 C ATOM 81 CD1 PHE A 6 11.653 0.288 -0.241 1.00 1.00 C ATOM 82 CD2 PHE A 6 10.246 -0.829 1.346 1.00 1.00 C ATOM 83 CE1 PHE A 6 11.105 -0.458 -1.251 1.00 1.00 C ATOM 84 CE2 PHE A 6 9.711 -1.576 0.321 1.00 1.00 C ATOM 85 CZ PHE A 6 10.139 -1.380 -0.982 1.00 1.00 C ATOM 0 H PHE A 6 13.856 1.622 0.281 1.00 1.00 H new ATOM 0 HA PHE A 6 11.855 2.656 0.818 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.384 0.497 2.898 1.00 1.00 H new ATOM 0 HB3 PHE A 6 10.852 1.347 2.861 1.00 1.00 H new ATOM 0 HD1 PHE A 6 12.425 1.010 -0.466 1.00 1.00 H new ATOM 0 HD2 PHE A 6 9.904 -0.987 2.358 1.00 1.00 H new ATOM 0 HE1 PHE A 6 11.441 -0.314 -2.267 1.00 1.00 H new ATOM 0 HE2 PHE A 6 8.955 -2.317 0.533 1.00 1.00 H new ATOM 0 HZ PHE A 6 9.707 -1.959 -1.785 1.00 1.00 H new ATOM 95 N ASN A 7 12.102 4.537 2.202 1.00 1.00 N ATOM 96 CA ASN A 7 12.064 5.759 3.016 1.00 1.00 C ATOM 97 C ASN A 7 11.019 6.677 2.438 1.00 1.00 C ATOM 98 O ASN A 7 10.422 7.481 3.124 1.00 1.00 O ATOM 99 CB ASN A 7 13.425 6.430 2.883 1.00 1.00 C ATOM 100 CG ASN A 7 14.129 5.849 1.658 1.00 1.00 C ATOM 101 OD1 ASN A 7 13.441 5.679 0.563 1.00 1.00 O flip ATOM 102 ND2 ASN A 7 15.305 5.547 1.683 1.00 1.00 N flip ATOM 0 H ASN A 7 11.860 4.679 1.221 1.00 1.00 H new ATOM 0 HA ASN A 7 11.835 5.537 4.058 1.00 1.00 H new ATOM 0 HB2 ASN A 7 13.308 7.509 2.778 1.00 1.00 H new ATOM 0 HB3 ASN A 7 14.021 6.260 3.780 1.00 1.00 H new ATOM 0 HD21 ASN A 7 15.847 5.678 2.537 1.00 1.00 H new ATOM 0 HD22 ASN A 7 15.751 5.162 0.850 1.00 1.00 H new ATOM 109 N LYS A 8 10.846 6.525 1.158 1.00 1.00 N ATOM 110 CA LYS A 8 9.856 7.337 0.421 1.00 1.00 C ATOM 111 C LYS A 8 8.606 7.530 1.265 1.00 1.00 C ATOM 112 O LYS A 8 8.365 6.787 2.195 1.00 1.00 O ATOM 113 CB LYS A 8 9.478 6.571 -0.879 1.00 1.00 C ATOM 114 CG LYS A 8 10.489 5.429 -1.114 1.00 1.00 C ATOM 115 CD LYS A 8 10.227 4.761 -2.479 1.00 1.00 C ATOM 116 CE LYS A 8 11.442 4.979 -3.383 1.00 1.00 C ATOM 117 NZ LYS A 8 11.189 4.411 -4.738 1.00 1.00 N ATOM 0 H LYS A 8 11.362 5.858 0.584 1.00 1.00 H new ATOM 0 HA LYS A 8 10.278 8.315 0.188 1.00 1.00 H new ATOM 0 HB2 LYS A 8 8.469 6.167 -0.796 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.479 7.253 -1.729 1.00 1.00 H new ATOM 0 HG2 LYS A 8 11.506 5.821 -1.081 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.406 4.690 -0.317 1.00 1.00 H new ATOM 0 HD2 LYS A 8 10.043 3.695 -2.347 1.00 1.00 H new ATOM 0 HD3 LYS A 8 9.334 5.184 -2.940 1.00 1.00 H new ATOM 0 HE2 LYS A 8 11.658 6.044 -3.463 1.00 1.00 H new ATOM 0 HE3 LYS A 8 12.321 4.508 -2.942 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 12.022 4.566 -5.341 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 11.005 3.391 -4.658 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 10.363 4.879 -5.162 1.00 1.00 H new ATOM 131 N GLU A 9 7.831 8.516 0.931 1.00 1.00 N ATOM 132 CA GLU A 9 6.599 8.759 1.717 1.00 1.00 C ATOM 133 C GLU A 9 5.625 7.585 1.613 1.00 1.00 C ATOM 134 O GLU A 9 4.466 7.723 1.936 1.00 1.00 O ATOM 135 CB GLU A 9 5.917 10.019 1.173 1.00 1.00 C ATOM 136 CG GLU A 9 6.813 11.231 1.448 1.00 1.00 C ATOM 137 CD GLU A 9 6.570 11.728 2.876 1.00 1.00 C ATOM 138 OE1 GLU A 9 6.055 10.934 3.644 1.00 1.00 O ATOM 139 OE2 GLU A 9 6.913 12.874 3.117 1.00 1.00 O ATOM 0 H GLU A 9 7.995 9.158 0.156 1.00 1.00 H new ATOM 0 HA GLU A 9 6.874 8.880 2.765 1.00 1.00 H new ATOM 0 HB2 GLU A 9 5.739 9.918 0.102 1.00 1.00 H new ATOM 0 HB3 GLU A 9 4.945 10.155 1.646 1.00 1.00 H new ATOM 0 HG2 GLU A 9 7.861 10.960 1.319 1.00 1.00 H new ATOM 0 HG3 GLU A 9 6.599 12.025 0.733 1.00 1.00 H new ATOM 146 N GLN A 10 6.105 6.457 1.140 1.00 1.00 N ATOM 147 CA GLN A 10 5.206 5.282 1.020 1.00 1.00 C ATOM 148 C GLN A 10 5.253 4.408 2.281 1.00 1.00 C ATOM 149 O GLN A 10 4.272 3.795 2.647 1.00 1.00 O ATOM 150 CB GLN A 10 5.637 4.457 -0.220 1.00 1.00 C ATOM 151 CG GLN A 10 6.712 3.420 0.153 1.00 1.00 C ATOM 152 CD GLN A 10 6.049 2.165 0.737 1.00 1.00 C ATOM 153 OE1 GLN A 10 6.515 1.598 1.705 1.00 1.00 O ATOM 154 NE2 GLN A 10 4.962 1.701 0.182 1.00 1.00 N ATOM 0 H GLN A 10 7.068 6.308 0.838 1.00 1.00 H new ATOM 0 HA GLN A 10 4.179 5.630 0.905 1.00 1.00 H new ATOM 0 HB2 GLN A 10 4.770 3.951 -0.644 1.00 1.00 H new ATOM 0 HB3 GLN A 10 6.023 5.125 -0.990 1.00 1.00 H new ATOM 0 HG2 GLN A 10 7.296 3.156 -0.729 1.00 1.00 H new ATOM 0 HG3 GLN A 10 7.405 3.847 0.878 1.00 1.00 H new ATOM 0 HE21 GLN A 10 4.564 2.171 -0.631 1.00 1.00 H new ATOM 0 HE22 GLN A 10 4.511 0.869 0.562 1.00 1.00 H new ATOM 163 N GLN A 11 6.388 4.369 2.928 1.00 1.00 N ATOM 164 CA GLN A 11 6.490 3.537 4.155 1.00 1.00 C ATOM 165 C GLN A 11 5.377 3.901 5.155 1.00 1.00 C ATOM 166 O GLN A 11 4.613 3.045 5.604 1.00 1.00 O ATOM 167 CB GLN A 11 7.855 3.815 4.827 1.00 1.00 C ATOM 168 CG GLN A 11 9.018 3.400 3.922 1.00 1.00 C ATOM 169 CD GLN A 11 10.115 2.831 4.824 1.00 1.00 C ATOM 170 OE1 GLN A 11 10.939 3.655 5.408 1.00 1.00 O flip ATOM 171 NE2 GLN A 11 10.219 1.638 5.024 1.00 1.00 N flip ATOM 0 H GLN A 11 7.236 4.871 2.662 1.00 1.00 H new ATOM 0 HA GLN A 11 6.392 2.488 3.877 1.00 1.00 H new ATOM 0 HB2 GLN A 11 7.937 4.876 5.063 1.00 1.00 H new ATOM 0 HB3 GLN A 11 7.915 3.273 5.771 1.00 1.00 H new ATOM 0 HG2 GLN A 11 8.693 2.655 3.196 1.00 1.00 H new ATOM 0 HG3 GLN A 11 9.390 4.255 3.357 1.00 1.00 H new ATOM 0 HE21 GLN A 11 9.578 0.987 4.571 1.00 1.00 H new ATOM 0 HE22 GLN A 11 10.948 1.287 5.645 1.00 1.00 H new ATOM 180 N ASN A 12 5.300 5.172 5.470 1.00 1.00 N ATOM 181 CA ASN A 12 4.269 5.647 6.432 1.00 1.00 C ATOM 182 C ASN A 12 2.851 5.281 5.998 1.00 1.00 C ATOM 183 O ASN A 12 1.972 5.140 6.823 1.00 1.00 O ATOM 184 CB ASN A 12 4.380 7.179 6.537 1.00 1.00 C ATOM 185 CG ASN A 12 3.750 7.832 5.300 1.00 1.00 C ATOM 186 OD1 ASN A 12 3.772 7.197 4.160 1.00 1.00 O flip ATOM 187 ND2 ASN A 12 3.238 8.932 5.362 1.00 1.00 N flip ATOM 0 H ASN A 12 5.911 5.899 5.098 1.00 1.00 H new ATOM 0 HA ASN A 12 4.451 5.162 7.391 1.00 1.00 H new ATOM 0 HB2 ASN A 12 3.878 7.528 7.439 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.427 7.472 6.621 1.00 1.00 H new ATOM 0 HD21 ASN A 12 3.216 9.435 6.249 1.00 1.00 H new ATOM 0 HD22 ASN A 12 2.830 9.352 4.527 1.00 1.00 H new ATOM 194 N ALA A 13 2.644 5.137 4.721 1.00 1.00 N ATOM 195 CA ALA A 13 1.286 4.783 4.256 1.00 1.00 C ATOM 196 C ALA A 13 1.106 3.273 4.259 1.00 1.00 C ATOM 197 O ALA A 13 0.048 2.784 4.572 1.00 1.00 O ATOM 198 CB ALA A 13 1.095 5.321 2.839 1.00 1.00 C ATOM 0 H ALA A 13 3.348 5.248 3.991 1.00 1.00 H new ATOM 0 HA ALA A 13 0.546 5.223 4.925 1.00 1.00 H new ATOM 0 HB1 ALA A 13 0.096 5.066 2.485 1.00 1.00 H new ATOM 0 HB2 ALA A 13 1.213 6.405 2.842 1.00 1.00 H new ATOM 0 HB3 ALA A 13 1.839 4.877 2.178 1.00 1.00 H new ATOM 204 N PHE A 14 2.142 2.556 3.901 1.00 1.00 N ATOM 205 CA PHE A 14 2.027 1.074 3.898 1.00 1.00 C ATOM 206 C PHE A 14 1.369 0.637 5.198 1.00 1.00 C ATOM 207 O PHE A 14 0.359 -0.072 5.195 1.00 1.00 O ATOM 208 CB PHE A 14 3.455 0.488 3.805 1.00 1.00 C ATOM 209 CG PHE A 14 3.536 -0.856 4.538 1.00 1.00 C ATOM 210 CD1 PHE A 14 2.550 -1.812 4.380 1.00 1.00 C ATOM 211 CD2 PHE A 14 4.615 -1.134 5.358 1.00 1.00 C ATOM 212 CE1 PHE A 14 2.645 -3.027 5.028 1.00 1.00 C ATOM 213 CE2 PHE A 14 4.706 -2.349 6.006 1.00 1.00 C ATOM 214 CZ PHE A 14 3.722 -3.295 5.841 1.00 1.00 C ATOM 0 H PHE A 14 3.047 2.929 3.616 1.00 1.00 H new ATOM 0 HA PHE A 14 1.427 0.725 3.057 1.00 1.00 H new ATOM 0 HB2 PHE A 14 3.732 0.355 2.759 1.00 1.00 H new ATOM 0 HB3 PHE A 14 4.170 1.188 4.238 1.00 1.00 H new ATOM 0 HD1 PHE A 14 1.700 -1.607 3.746 1.00 1.00 H new ATOM 0 HD2 PHE A 14 5.391 -0.395 5.492 1.00 1.00 H new ATOM 0 HE1 PHE A 14 1.872 -3.769 4.896 1.00 1.00 H new ATOM 0 HE2 PHE A 14 5.552 -2.557 6.644 1.00 1.00 H new ATOM 0 HZ PHE A 14 3.794 -4.246 6.348 1.00 1.00 H new ATOM 224 N TYR A 15 1.922 1.086 6.298 1.00 1.00 N ATOM 225 CA TYR A 15 1.314 0.694 7.588 1.00 1.00 C ATOM 226 C TYR A 15 -0.144 1.137 7.617 1.00 1.00 C ATOM 227 O TYR A 15 -0.960 0.560 8.306 1.00 1.00 O ATOM 228 CB TYR A 15 2.068 1.381 8.731 1.00 1.00 C ATOM 229 CG TYR A 15 3.558 1.052 8.626 1.00 1.00 C ATOM 230 CD1 TYR A 15 4.008 -0.238 8.828 1.00 1.00 C ATOM 231 CD2 TYR A 15 4.471 2.039 8.340 1.00 1.00 C ATOM 232 CE1 TYR A 15 5.356 -0.530 8.741 1.00 1.00 C ATOM 233 CE2 TYR A 15 5.816 1.751 8.255 1.00 1.00 C ATOM 234 CZ TYR A 15 6.270 0.463 8.455 1.00 1.00 C ATOM 235 OH TYR A 15 7.617 0.175 8.374 1.00 1.00 O ATOM 0 H TYR A 15 2.743 1.689 6.352 1.00 1.00 H new ATOM 0 HA TYR A 15 1.372 -0.388 7.703 1.00 1.00 H new ATOM 0 HB2 TYR A 15 1.918 2.460 8.684 1.00 1.00 H new ATOM 0 HB3 TYR A 15 1.677 1.047 9.692 1.00 1.00 H new ATOM 0 HD1 TYR A 15 3.302 -1.023 9.055 1.00 1.00 H new ATOM 0 HD2 TYR A 15 4.131 3.051 8.180 1.00 1.00 H new ATOM 0 HE1 TYR A 15 5.696 -1.543 8.898 1.00 1.00 H new ATOM 0 HE2 TYR A 15 6.520 2.539 8.030 1.00 1.00 H new ATOM 0 HH TYR A 15 8.114 0.993 8.163 1.00 1.00 H new ATOM 245 N GLU A 16 -0.441 2.167 6.858 1.00 1.00 N ATOM 246 CA GLU A 16 -1.841 2.670 6.815 1.00 1.00 C ATOM 247 C GLU A 16 -2.682 1.829 5.851 1.00 1.00 C ATOM 248 O GLU A 16 -3.875 1.677 6.037 1.00 1.00 O ATOM 249 CB GLU A 16 -1.831 4.131 6.326 1.00 1.00 C ATOM 250 CG GLU A 16 -3.176 4.791 6.651 1.00 1.00 C ATOM 251 CD GLU A 16 -2.976 5.834 7.753 1.00 1.00 C ATOM 252 OE1 GLU A 16 -2.454 6.885 7.414 1.00 1.00 O ATOM 253 OE2 GLU A 16 -3.352 5.523 8.871 1.00 1.00 O ATOM 0 H GLU A 16 0.224 2.674 6.273 1.00 1.00 H new ATOM 0 HA GLU A 16 -2.274 2.604 7.813 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -1.020 4.680 6.805 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -1.648 4.164 5.252 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -3.587 5.263 5.759 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -3.895 4.038 6.974 1.00 1.00 H new ATOM 260 N ILE A 17 -2.043 1.299 4.836 1.00 1.00 N ATOM 261 CA ILE A 17 -2.784 0.466 3.854 1.00 1.00 C ATOM 262 C ILE A 17 -3.415 -0.710 4.560 1.00 1.00 C ATOM 263 O ILE A 17 -4.447 -1.201 4.158 1.00 1.00 O ATOM 264 CB ILE A 17 -1.774 -0.067 2.793 1.00 1.00 C ATOM 265 CG1 ILE A 17 -1.247 1.097 1.990 1.00 1.00 C ATOM 266 CG2 ILE A 17 -2.481 -1.001 1.789 1.00 1.00 C ATOM 267 CD1 ILE A 17 -0.432 0.576 0.790 1.00 1.00 C ATOM 0 H ILE A 17 -1.046 1.410 4.651 1.00 1.00 H new ATOM 0 HA ILE A 17 -3.561 1.063 3.376 1.00 1.00 H new ATOM 0 HB ILE A 17 -0.981 -0.599 3.319 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -2.075 1.713 1.639 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -0.622 1.731 2.619 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -1.759 -1.362 1.057 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -2.912 -1.849 2.322 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -3.273 -0.453 1.278 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.054 1.420 0.213 1.00 1.00 H new ATOM 0 HD12 ILE A 17 0.405 -0.022 1.151 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.070 -0.039 0.156 1.00 1.00 H new ATOM 279 N LEU A 18 -2.795 -1.135 5.612 1.00 1.00 N ATOM 280 CA LEU A 18 -3.349 -2.297 6.345 1.00 1.00 C ATOM 281 C LEU A 18 -4.426 -1.900 7.335 1.00 1.00 C ATOM 282 O LEU A 18 -4.525 -2.447 8.417 1.00 1.00 O ATOM 283 CB LEU A 18 -2.194 -2.979 7.074 1.00 1.00 C ATOM 284 CG LEU A 18 -1.461 -3.928 6.106 1.00 1.00 C ATOM 285 CD1 LEU A 18 -2.407 -5.061 5.655 1.00 1.00 C ATOM 286 CD2 LEU A 18 -0.991 -3.143 4.877 1.00 1.00 C ATOM 0 H LEU A 18 -1.938 -0.736 5.995 1.00 1.00 H new ATOM 0 HA LEU A 18 -3.821 -2.971 5.630 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -1.502 -2.231 7.460 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -2.570 -3.537 7.931 1.00 1.00 H new ATOM 0 HG LEU A 18 -0.602 -4.361 6.618 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -1.879 -5.726 4.971 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -2.739 -5.626 6.526 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -3.272 -4.633 5.149 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -0.473 -3.815 4.193 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -1.853 -2.706 4.373 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -0.313 -2.349 5.190 1.00 1.00 H new ATOM 298 N HIS A 19 -5.210 -0.958 6.948 1.00 1.00 N ATOM 299 CA HIS A 19 -6.304 -0.513 7.849 1.00 1.00 C ATOM 300 C HIS A 19 -7.541 -0.082 7.058 1.00 1.00 C ATOM 301 O HIS A 19 -8.644 -0.198 7.544 1.00 1.00 O ATOM 302 CB HIS A 19 -5.778 0.644 8.701 1.00 1.00 C ATOM 303 CG HIS A 19 -4.801 0.066 9.710 1.00 1.00 C ATOM 304 ND1 HIS A 19 -5.039 -0.916 10.435 1.00 1.00 N ATOM 305 CD2 HIS A 19 -3.501 0.430 10.001 1.00 1.00 C ATOM 306 CE1 HIS A 19 -4.039 -1.215 11.144 1.00 1.00 C ATOM 307 NE2 HIS A 19 -3.007 -0.407 10.938 1.00 1.00 N ATOM 0 H HIS A 19 -5.150 -0.472 6.053 1.00 1.00 H new ATOM 0 HA HIS A 19 -6.610 -1.343 8.486 1.00 1.00 H new ATOM 0 HB2 HIS A 19 -5.286 1.388 8.074 1.00 1.00 H new ATOM 0 HB3 HIS A 19 -6.599 1.149 9.210 1.00 1.00 H new ATOM 0 HD2 HIS A 19 -2.965 1.253 9.551 1.00 1.00 H new ATOM 0 HE1 HIS A 19 -4.025 -2.039 11.842 1.00 1.00 H new ATOM 0 HE2 HIS A 19 -2.084 -0.416 11.373 1.00 1.00 H new ATOM 315 N LEU A 20 -7.328 0.372 5.844 1.00 1.00 N ATOM 316 CA LEU A 20 -8.474 0.814 4.983 1.00 1.00 C ATOM 317 C LEU A 20 -9.710 -0.136 5.174 1.00 1.00 C ATOM 318 O LEU A 20 -9.815 -1.170 4.518 1.00 1.00 O ATOM 319 CB LEU A 20 -7.978 0.713 3.527 1.00 1.00 C ATOM 320 CG LEU A 20 -6.583 1.380 3.409 1.00 1.00 C ATOM 321 CD1 LEU A 20 -6.257 1.636 1.935 1.00 1.00 C ATOM 322 CD2 LEU A 20 -6.575 2.725 4.147 1.00 1.00 C ATOM 0 H LEU A 20 -6.408 0.456 5.411 1.00 1.00 H new ATOM 0 HA LEU A 20 -8.787 1.825 5.244 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -7.920 -0.332 3.223 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.685 1.202 2.856 1.00 1.00 H new ATOM 0 HG LEU A 20 -5.842 0.713 3.850 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.276 2.105 1.855 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -6.252 0.690 1.394 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -7.010 2.296 1.505 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -5.590 3.184 4.057 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -7.324 3.385 3.709 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -6.805 2.564 5.200 1.00 1.00 H new ATOM 334 N PRO A 21 -10.671 0.272 6.034 1.00 1.00 N ATOM 335 CA PRO A 21 -11.860 -0.556 6.309 1.00 1.00 C ATOM 336 C PRO A 21 -12.852 -0.606 5.155 1.00 1.00 C ATOM 337 O PRO A 21 -13.906 -1.199 5.284 1.00 1.00 O ATOM 338 CB PRO A 21 -12.544 0.143 7.500 1.00 1.00 C ATOM 339 CG PRO A 21 -11.896 1.551 7.646 1.00 1.00 C ATOM 340 CD PRO A 21 -10.683 1.593 6.716 1.00 1.00 C ATOM 0 HA PRO A 21 -11.556 -1.587 6.489 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -13.617 0.230 7.330 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -12.412 -0.437 8.413 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -12.610 2.331 7.382 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -11.595 1.730 8.678 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -10.766 2.407 5.996 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.762 1.756 7.276 1.00 1.00 H new ATOM 348 N ASN A 22 -12.511 0.001 4.056 1.00 1.00 N ATOM 349 CA ASN A 22 -13.449 -0.011 2.907 1.00 1.00 C ATOM 350 C ASN A 22 -13.052 -1.018 1.828 1.00 1.00 C ATOM 351 O ASN A 22 -13.596 -0.984 0.740 1.00 1.00 O ATOM 352 CB ASN A 22 -13.453 1.396 2.303 1.00 1.00 C ATOM 353 CG ASN A 22 -13.707 2.407 3.424 1.00 1.00 C ATOM 354 OD1 ASN A 22 -14.774 2.456 4.000 1.00 1.00 O ATOM 355 ND2 ASN A 22 -12.752 3.228 3.766 1.00 1.00 N ATOM 0 H ASN A 22 -11.634 0.499 3.905 1.00 1.00 H new ATOM 0 HA ASN A 22 -14.434 -0.308 3.268 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -12.499 1.602 1.817 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -14.225 1.477 1.538 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -12.905 3.905 4.513 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -11.853 3.192 3.286 1.00 1.00 H new ATOM 362 N LEU A 23 -12.113 -1.897 2.125 1.00 1.00 N ATOM 363 CA LEU A 23 -11.716 -2.892 1.077 1.00 1.00 C ATOM 364 C LEU A 23 -11.425 -4.261 1.663 1.00 1.00 C ATOM 365 O LEU A 23 -11.149 -4.391 2.838 1.00 1.00 O ATOM 366 CB LEU A 23 -10.408 -2.435 0.414 1.00 1.00 C ATOM 367 CG LEU A 23 -10.225 -0.916 0.491 1.00 1.00 C ATOM 368 CD1 LEU A 23 -8.773 -0.611 0.175 1.00 1.00 C ATOM 369 CD2 LEU A 23 -11.128 -0.238 -0.543 1.00 1.00 C ATOM 0 H LEU A 23 -11.622 -1.966 3.016 1.00 1.00 H new ATOM 0 HA LEU A 23 -12.549 -2.955 0.377 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -9.565 -2.927 0.899 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -10.402 -2.748 -0.630 1.00 1.00 H new ATOM 0 HG LEU A 23 -10.488 -0.547 1.482 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -8.609 0.466 0.221 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -8.130 -1.108 0.902 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -8.535 -0.971 -0.826 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -10.997 0.843 -0.487 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -10.862 -0.585 -1.542 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.169 -0.488 -0.337 1.00 1.00 H new ATOM 381 N ASN A 24 -11.489 -5.274 0.824 1.00 1.00 N ATOM 382 CA ASN A 24 -11.196 -6.627 1.328 1.00 1.00 C ATOM 383 C ASN A 24 -9.698 -6.775 1.405 1.00 1.00 C ATOM 384 O ASN A 24 -8.974 -6.186 0.607 1.00 1.00 O ATOM 385 CB ASN A 24 -11.733 -7.676 0.384 1.00 1.00 C ATOM 386 CG ASN A 24 -11.639 -7.159 -1.036 1.00 1.00 C ATOM 387 OD1 ASN A 24 -10.777 -6.370 -1.368 1.00 1.00 O ATOM 388 ND2 ASN A 24 -12.503 -7.568 -1.906 1.00 1.00 N ATOM 0 H ASN A 24 -11.728 -5.210 -0.166 1.00 1.00 H new ATOM 0 HA ASN A 24 -11.664 -6.761 2.303 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -11.164 -8.600 0.486 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -12.768 -7.910 0.631 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -12.459 -7.228 -2.867 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -13.229 -8.230 -1.632 1.00 1.00 H new ATOM 395 N GLU A 25 -9.240 -7.593 2.293 1.00 1.00 N ATOM 396 CA GLU A 25 -7.777 -7.733 2.409 1.00 1.00 C ATOM 397 C GLU A 25 -7.184 -8.810 1.535 1.00 1.00 C ATOM 398 O GLU A 25 -5.982 -8.913 1.436 1.00 1.00 O ATOM 399 CB GLU A 25 -7.402 -7.939 3.863 1.00 1.00 C ATOM 400 CG GLU A 25 -6.871 -6.589 4.376 1.00 1.00 C ATOM 401 CD GLU A 25 -6.620 -6.678 5.885 1.00 1.00 C ATOM 402 OE1 GLU A 25 -5.649 -7.330 6.235 1.00 1.00 O ATOM 403 OE2 GLU A 25 -7.414 -6.090 6.601 1.00 1.00 O ATOM 0 H GLU A 25 -9.799 -8.159 2.931 1.00 1.00 H new ATOM 0 HA GLU A 25 -7.344 -6.804 2.038 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -8.266 -8.261 4.444 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -6.644 -8.716 3.961 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -5.948 -6.329 3.858 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -7.590 -5.798 4.162 1.00 1.00 H new ATOM 410 N GLU A 26 -7.990 -9.605 0.914 1.00 1.00 N ATOM 411 CA GLU A 26 -7.379 -10.627 0.051 1.00 1.00 C ATOM 412 C GLU A 26 -6.544 -9.891 -0.995 1.00 1.00 C ATOM 413 O GLU A 26 -5.336 -10.069 -1.094 1.00 1.00 O ATOM 414 CB GLU A 26 -8.488 -11.435 -0.648 1.00 1.00 C ATOM 415 CG GLU A 26 -8.071 -12.907 -0.708 1.00 1.00 C ATOM 416 CD GLU A 26 -6.711 -13.021 -1.401 1.00 1.00 C ATOM 417 OE1 GLU A 26 -6.720 -12.976 -2.621 1.00 1.00 O ATOM 418 OE2 GLU A 26 -5.740 -13.148 -0.672 1.00 1.00 O ATOM 0 H GLU A 26 -9.009 -9.595 0.962 1.00 1.00 H new ATOM 0 HA GLU A 26 -6.760 -11.312 0.631 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -9.428 -11.332 -0.105 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -8.657 -11.050 -1.654 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -8.015 -13.322 0.298 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -8.818 -13.486 -1.251 1.00 1.00 H new ATOM 425 N GLN A 27 -7.206 -9.033 -1.733 1.00 1.00 N ATOM 426 CA GLN A 27 -6.488 -8.261 -2.772 1.00 1.00 C ATOM 427 C GLN A 27 -5.566 -7.243 -2.112 1.00 1.00 C ATOM 428 O GLN A 27 -4.428 -7.073 -2.533 1.00 1.00 O ATOM 429 CB GLN A 27 -7.509 -7.524 -3.669 1.00 1.00 C ATOM 430 CG GLN A 27 -8.665 -6.986 -2.818 1.00 1.00 C ATOM 431 CD GLN A 27 -9.598 -6.167 -3.713 1.00 1.00 C ATOM 432 OE1 GLN A 27 -9.838 -4.921 -3.411 1.00 1.00 O flip ATOM 433 NE2 GLN A 27 -10.120 -6.659 -4.695 1.00 1.00 N flip ATOM 0 H GLN A 27 -8.205 -8.841 -1.656 1.00 1.00 H new ATOM 0 HA GLN A 27 -5.895 -8.944 -3.380 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -7.019 -6.703 -4.192 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -7.893 -8.203 -4.430 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.211 -7.810 -2.358 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -8.280 -6.367 -2.007 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -9.936 -7.633 -4.936 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -10.742 -6.098 -5.277 1.00 1.00 H new ATOM 442 N ARG A 28 -6.053 -6.566 -1.086 1.00 1.00 N ATOM 443 CA ARG A 28 -5.163 -5.581 -0.429 1.00 1.00 C ATOM 444 C ARG A 28 -3.912 -6.276 -0.007 1.00 1.00 C ATOM 445 O ARG A 28 -2.832 -5.926 -0.442 1.00 1.00 O ATOM 446 CB ARG A 28 -5.871 -4.997 0.807 1.00 1.00 C ATOM 447 CG ARG A 28 -5.554 -3.516 0.956 1.00 1.00 C ATOM 448 CD ARG A 28 -5.693 -3.120 2.423 1.00 1.00 C ATOM 449 NE ARG A 28 -6.863 -3.833 3.005 1.00 1.00 N ATOM 450 CZ ARG A 28 -7.679 -3.184 3.790 1.00 1.00 C ATOM 451 NH1 ARG A 28 -7.197 -2.247 4.560 1.00 1.00 N ATOM 452 NH2 ARG A 28 -8.946 -3.492 3.778 1.00 1.00 N ATOM 0 H ARG A 28 -6.992 -6.657 -0.698 1.00 1.00 H new ATOM 0 HA ARG A 28 -4.924 -4.773 -1.120 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -6.948 -5.136 0.716 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -5.555 -5.534 1.701 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -4.542 -3.311 0.606 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -6.231 -2.923 0.341 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -4.785 -3.375 2.970 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -5.826 -2.042 2.512 1.00 1.00 H new ATOM 0 HE ARG A 28 -7.025 -4.817 2.793 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -6.200 -2.034 4.541 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -7.818 -1.728 5.181 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -9.286 -4.230 3.161 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -9.597 -2.995 4.385 1.00 1.00 H new ATOM 466 N ASN A 29 -4.061 -7.243 0.840 1.00 1.00 N ATOM 467 CA ASN A 29 -2.877 -7.983 1.286 1.00 1.00 C ATOM 468 C ASN A 29 -2.039 -8.320 0.068 1.00 1.00 C ATOM 469 O ASN A 29 -0.853 -8.483 0.157 1.00 1.00 O ATOM 470 CB ASN A 29 -3.357 -9.281 1.941 1.00 1.00 C ATOM 471 CG ASN A 29 -2.167 -10.051 2.499 1.00 1.00 C ATOM 472 OD1 ASN A 29 -1.026 -9.655 2.353 1.00 1.00 O ATOM 473 ND2 ASN A 29 -2.391 -11.160 3.142 1.00 1.00 N ATOM 0 H ASN A 29 -4.949 -7.548 1.238 1.00 1.00 H new ATOM 0 HA ASN A 29 -2.287 -7.397 1.991 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -4.063 -9.056 2.741 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -3.887 -9.893 1.211 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -1.611 -11.695 3.522 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -3.347 -11.494 3.266 1.00 1.00 H new ATOM 480 N GLY A 30 -2.697 -8.383 -1.068 1.00 1.00 N ATOM 481 CA GLY A 30 -1.986 -8.707 -2.329 1.00 1.00 C ATOM 482 C GLY A 30 -0.885 -7.684 -2.658 1.00 1.00 C ATOM 483 O GLY A 30 0.298 -8.003 -2.584 1.00 1.00 O ATOM 0 H GLY A 30 -3.699 -8.222 -1.167 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -1.544 -9.700 -2.249 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -2.703 -8.742 -3.149 1.00 1.00 H new ATOM 487 N PHE A 31 -1.267 -6.465 -2.999 1.00 1.00 N ATOM 488 CA PHE A 31 -0.197 -5.489 -3.336 1.00 1.00 C ATOM 489 C PHE A 31 0.831 -5.377 -2.230 1.00 1.00 C ATOM 490 O PHE A 31 2.022 -5.319 -2.490 1.00 1.00 O ATOM 491 CB PHE A 31 -0.738 -4.067 -3.649 1.00 1.00 C ATOM 492 CG PHE A 31 -2.021 -3.718 -3.004 1.00 1.00 C ATOM 493 CD1 PHE A 31 -3.220 -3.931 -3.649 1.00 1.00 C ATOM 494 CD2 PHE A 31 -2.004 -2.987 -1.859 1.00 1.00 C ATOM 495 CE1 PHE A 31 -4.367 -3.396 -3.140 1.00 1.00 C ATOM 496 CE2 PHE A 31 -3.141 -2.466 -1.367 1.00 1.00 C ATOM 497 CZ PHE A 31 -4.313 -2.661 -1.984 1.00 1.00 C ATOM 0 H PHE A 31 -2.228 -6.126 -3.054 1.00 1.00 H new ATOM 0 HA PHE A 31 0.267 -5.887 -4.238 1.00 1.00 H new ATOM 0 HB2 PHE A 31 0.012 -3.337 -3.345 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -0.856 -3.972 -4.728 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -3.251 -4.519 -4.554 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -1.071 -2.823 -1.341 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -5.310 -3.550 -3.644 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -3.109 -1.881 -0.460 1.00 1.00 H new ATOM 0 HZ PHE A 31 -5.217 -2.239 -1.571 1.00 1.00 H new ATOM 507 N ILE A 32 0.398 -5.346 -1.020 1.00 1.00 N ATOM 508 CA ILE A 32 1.403 -5.238 0.038 1.00 1.00 C ATOM 509 C ILE A 32 2.144 -6.535 0.228 1.00 1.00 C ATOM 510 O ILE A 32 3.295 -6.527 0.571 1.00 1.00 O ATOM 511 CB ILE A 32 0.777 -4.809 1.369 1.00 1.00 C ATOM 512 CG1 ILE A 32 -0.648 -5.392 1.551 1.00 1.00 C ATOM 513 CG2 ILE A 32 0.810 -3.260 1.395 1.00 1.00 C ATOM 514 CD1 ILE A 32 -1.756 -4.327 1.504 1.00 1.00 C ATOM 0 H ILE A 32 -0.577 -5.389 -0.724 1.00 1.00 H new ATOM 0 HA ILE A 32 2.109 -4.471 -0.280 1.00 1.00 H new ATOM 0 HB ILE A 32 1.340 -5.204 2.214 1.00 1.00 H new ATOM 0 HG12 ILE A 32 -0.832 -6.131 0.771 1.00 1.00 H new ATOM 0 HG13 ILE A 32 -0.699 -5.916 2.505 1.00 1.00 H new ATOM 0 HG21 ILE A 32 0.373 -2.902 2.327 1.00 1.00 H new ATOM 0 HG22 ILE A 32 1.842 -2.917 1.323 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.238 -2.870 0.553 1.00 1.00 H new ATOM 0 HD11 ILE A 32 -2.726 -4.805 1.638 1.00 1.00 H new ATOM 0 HD12 ILE A 32 -1.596 -3.601 2.301 1.00 1.00 H new ATOM 0 HD13 ILE A 32 -1.732 -3.819 0.540 1.00 1.00 H new ATOM 526 N GLN A 33 1.511 -7.636 -0.013 1.00 1.00 N ATOM 527 CA GLN A 33 2.260 -8.882 0.181 1.00 1.00 C ATOM 528 C GLN A 33 3.530 -8.810 -0.640 1.00 1.00 C ATOM 529 O GLN A 33 4.539 -9.388 -0.284 1.00 1.00 O ATOM 530 CB GLN A 33 1.413 -10.103 -0.253 1.00 1.00 C ATOM 531 CG GLN A 33 2.262 -11.379 -0.174 1.00 1.00 C ATOM 532 CD GLN A 33 1.485 -12.448 0.595 1.00 1.00 C ATOM 533 OE1 GLN A 33 0.485 -12.962 0.131 1.00 1.00 O ATOM 534 NE2 GLN A 33 1.908 -12.809 1.777 1.00 1.00 N ATOM 0 H GLN A 33 0.544 -7.725 -0.324 1.00 1.00 H new ATOM 0 HA GLN A 33 2.502 -9.002 1.237 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.538 -10.197 0.390 1.00 1.00 H new ATOM 0 HB3 GLN A 33 1.048 -9.961 -1.270 1.00 1.00 H new ATOM 0 HG2 GLN A 33 2.500 -11.735 -1.176 1.00 1.00 H new ATOM 0 HG3 GLN A 33 3.209 -11.171 0.324 1.00 1.00 H new ATOM 0 HE21 GLN A 33 2.746 -12.382 2.171 1.00 1.00 H new ATOM 0 HE22 GLN A 33 1.400 -13.518 2.306 1.00 1.00 H new ATOM 543 N SER A 34 3.473 -8.083 -1.728 1.00 1.00 N ATOM 544 CA SER A 34 4.689 -7.973 -2.547 1.00 1.00 C ATOM 545 C SER A 34 5.606 -6.932 -1.919 1.00 1.00 C ATOM 546 O SER A 34 6.805 -7.006 -2.042 1.00 1.00 O ATOM 547 CB SER A 34 4.321 -7.560 -3.979 1.00 1.00 C ATOM 548 OG SER A 34 3.089 -6.879 -3.844 1.00 1.00 O ATOM 0 H SER A 34 2.654 -7.578 -2.067 1.00 1.00 H new ATOM 0 HA SER A 34 5.199 -8.936 -2.587 1.00 1.00 H new ATOM 0 HB2 SER A 34 5.085 -6.916 -4.415 1.00 1.00 H new ATOM 0 HB3 SER A 34 4.225 -8.428 -4.631 1.00 1.00 H new ATOM 0 HG SER A 34 3.168 -6.196 -3.146 1.00 1.00 H new ATOM 554 N LEU A 35 5.021 -5.961 -1.256 1.00 1.00 N ATOM 555 CA LEU A 35 5.852 -4.939 -0.616 1.00 1.00 C ATOM 556 C LEU A 35 6.891 -5.615 0.282 1.00 1.00 C ATOM 557 O LEU A 35 8.018 -5.167 0.379 1.00 1.00 O ATOM 558 CB LEU A 35 4.931 -4.040 0.229 1.00 1.00 C ATOM 559 CG LEU A 35 5.758 -2.990 0.925 1.00 1.00 C ATOM 560 CD1 LEU A 35 5.070 -1.621 0.790 1.00 1.00 C ATOM 561 CD2 LEU A 35 5.889 -3.337 2.410 1.00 1.00 C ATOM 0 H LEU A 35 4.014 -5.848 -1.141 1.00 1.00 H new ATOM 0 HA LEU A 35 6.374 -4.343 -1.365 1.00 1.00 H new ATOM 0 HB2 LEU A 35 4.183 -3.567 -0.407 1.00 1.00 H new ATOM 0 HB3 LEU A 35 4.392 -4.640 0.963 1.00 1.00 H new ATOM 0 HG LEU A 35 6.747 -2.954 0.468 1.00 1.00 H new ATOM 0 HD11 LEU A 35 5.668 -0.862 1.294 1.00 1.00 H new ATOM 0 HD12 LEU A 35 4.972 -1.365 -0.265 1.00 1.00 H new ATOM 0 HD13 LEU A 35 4.081 -1.664 1.246 1.00 1.00 H new ATOM 0 HD21 LEU A 35 6.488 -2.576 2.910 1.00 1.00 H new ATOM 0 HD22 LEU A 35 4.899 -3.376 2.863 1.00 1.00 H new ATOM 0 HD23 LEU A 35 6.374 -4.307 2.515 1.00 1.00 H new ATOM 573 N LYS A 36 6.492 -6.696 0.926 1.00 1.00 N ATOM 574 CA LYS A 36 7.458 -7.413 1.813 1.00 1.00 C ATOM 575 C LYS A 36 8.213 -8.475 1.020 1.00 1.00 C ATOM 576 O LYS A 36 9.427 -8.511 1.022 1.00 1.00 O ATOM 577 CB LYS A 36 6.703 -8.130 2.957 1.00 1.00 C ATOM 578 CG LYS A 36 5.952 -7.099 3.830 1.00 1.00 C ATOM 579 CD LYS A 36 4.558 -6.803 3.249 1.00 1.00 C ATOM 580 CE LYS A 36 3.498 -7.166 4.289 1.00 1.00 C ATOM 581 NZ LYS A 36 2.130 -6.972 3.728 1.00 1.00 N ATOM 0 H LYS A 36 5.557 -7.101 0.874 1.00 1.00 H new ATOM 0 HA LYS A 36 8.151 -6.676 2.218 1.00 1.00 H new ATOM 0 HB2 LYS A 36 5.997 -8.849 2.542 1.00 1.00 H new ATOM 0 HB3 LYS A 36 7.407 -8.693 3.570 1.00 1.00 H new ATOM 0 HG2 LYS A 36 5.854 -7.480 4.847 1.00 1.00 H new ATOM 0 HG3 LYS A 36 6.530 -6.177 3.889 1.00 1.00 H new ATOM 0 HD2 LYS A 36 4.478 -5.749 2.981 1.00 1.00 H new ATOM 0 HD3 LYS A 36 4.401 -7.377 2.336 1.00 1.00 H new ATOM 0 HE2 LYS A 36 3.626 -8.202 4.601 1.00 1.00 H new ATOM 0 HE3 LYS A 36 3.625 -6.547 5.177 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 1.488 -7.690 4.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 1.783 -6.024 3.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 2.163 -7.067 2.693 1.00 1.00 H new ATOM 595 N ASP A 37 7.475 -9.327 0.352 1.00 1.00 N ATOM 596 CA ASP A 37 8.134 -10.397 -0.447 1.00 1.00 C ATOM 597 C ASP A 37 8.787 -9.821 -1.701 1.00 1.00 C ATOM 598 O ASP A 37 9.415 -10.531 -2.462 1.00 1.00 O ATOM 599 CB ASP A 37 7.064 -11.418 -0.869 1.00 1.00 C ATOM 600 CG ASP A 37 6.577 -12.183 0.363 1.00 1.00 C ATOM 601 OD1 ASP A 37 7.440 -12.627 1.101 1.00 1.00 O ATOM 602 OD2 ASP A 37 5.367 -12.282 0.495 1.00 1.00 O ATOM 0 H ASP A 37 6.455 -9.326 0.327 1.00 1.00 H new ATOM 0 HA ASP A 37 8.907 -10.867 0.161 1.00 1.00 H new ATOM 0 HB2 ASP A 37 6.228 -10.908 -1.348 1.00 1.00 H new ATOM 0 HB3 ASP A 37 7.476 -12.112 -1.602 1.00 1.00 H new ATOM 607 N ASP A 38 8.621 -8.542 -1.892 1.00 1.00 N ATOM 608 CA ASP A 38 9.218 -7.889 -3.085 1.00 1.00 C ATOM 609 C ASP A 38 9.335 -6.374 -2.855 1.00 1.00 C ATOM 610 O ASP A 38 8.575 -5.597 -3.402 1.00 1.00 O ATOM 611 CB ASP A 38 8.284 -8.135 -4.289 1.00 1.00 C ATOM 612 CG ASP A 38 8.728 -9.402 -5.024 1.00 1.00 C ATOM 613 OD1 ASP A 38 9.645 -9.273 -5.820 1.00 1.00 O ATOM 614 OD2 ASP A 38 8.124 -10.425 -4.752 1.00 1.00 O ATOM 0 H ASP A 38 8.098 -7.923 -1.273 1.00 1.00 H new ATOM 0 HA ASP A 38 10.210 -8.301 -3.269 1.00 1.00 H new ATOM 0 HB2 ASP A 38 7.254 -8.240 -3.949 1.00 1.00 H new ATOM 0 HB3 ASP A 38 8.311 -7.280 -4.965 1.00 1.00 H new ATOM 619 N PRO A 39 10.291 -5.980 -2.035 1.00 1.00 N ATOM 620 CA PRO A 39 10.502 -4.562 -1.728 1.00 1.00 C ATOM 621 C PRO A 39 11.002 -3.780 -2.949 1.00 1.00 C ATOM 622 O PRO A 39 11.628 -2.746 -2.810 1.00 1.00 O ATOM 623 CB PRO A 39 11.590 -4.558 -0.631 1.00 1.00 C ATOM 624 CG PRO A 39 11.993 -6.037 -0.364 1.00 1.00 C ATOM 625 CD PRO A 39 11.203 -6.911 -1.348 1.00 1.00 C ATOM 0 HA PRO A 39 9.572 -4.085 -1.418 1.00 1.00 H new ATOM 0 HB2 PRO A 39 12.455 -3.977 -0.951 1.00 1.00 H new ATOM 0 HB3 PRO A 39 11.214 -4.093 0.280 1.00 1.00 H new ATOM 0 HG2 PRO A 39 13.065 -6.174 -0.504 1.00 1.00 H new ATOM 0 HG3 PRO A 39 11.767 -6.317 0.665 1.00 1.00 H new ATOM 0 HD2 PRO A 39 11.867 -7.408 -2.056 1.00 1.00 H new ATOM 0 HD3 PRO A 39 10.650 -7.692 -0.826 1.00 1.00 H new ATOM 633 N SER A 40 10.720 -4.284 -4.119 1.00 1.00 N ATOM 634 CA SER A 40 11.175 -3.587 -5.349 1.00 1.00 C ATOM 635 C SER A 40 10.130 -2.604 -5.892 1.00 1.00 C ATOM 636 O SER A 40 10.464 -1.727 -6.665 1.00 1.00 O ATOM 637 CB SER A 40 11.435 -4.648 -6.421 1.00 1.00 C ATOM 638 OG SER A 40 12.699 -5.195 -6.073 1.00 1.00 O ATOM 0 H SER A 40 10.196 -5.145 -4.274 1.00 1.00 H new ATOM 0 HA SER A 40 12.070 -3.016 -5.101 1.00 1.00 H new ATOM 0 HB2 SER A 40 10.657 -5.412 -6.422 1.00 1.00 H new ATOM 0 HB3 SER A 40 11.452 -4.210 -7.419 1.00 1.00 H new ATOM 0 HG SER A 40 12.942 -5.892 -6.717 1.00 1.00 H new ATOM 644 N GLN A 41 8.888 -2.758 -5.482 1.00 1.00 N ATOM 645 CA GLN A 41 7.832 -1.829 -5.993 1.00 1.00 C ATOM 646 C GLN A 41 6.850 -1.393 -4.892 1.00 1.00 C ATOM 647 O GLN A 41 5.674 -1.256 -5.129 1.00 1.00 O ATOM 648 CB GLN A 41 7.043 -2.574 -7.097 1.00 1.00 C ATOM 649 CG GLN A 41 7.787 -2.465 -8.436 1.00 1.00 C ATOM 650 CD GLN A 41 7.078 -1.439 -9.320 1.00 1.00 C ATOM 651 OE1 GLN A 41 7.542 -0.330 -9.502 1.00 1.00 O ATOM 652 NE2 GLN A 41 5.949 -1.768 -9.888 1.00 1.00 N ATOM 0 H GLN A 41 8.568 -3.473 -4.829 1.00 1.00 H new ATOM 0 HA GLN A 41 8.318 -0.930 -6.371 1.00 1.00 H new ATOM 0 HB2 GLN A 41 6.920 -3.622 -6.824 1.00 1.00 H new ATOM 0 HB3 GLN A 41 6.043 -2.150 -7.191 1.00 1.00 H new ATOM 0 HG2 GLN A 41 8.822 -2.166 -8.268 1.00 1.00 H new ATOM 0 HG3 GLN A 41 7.812 -3.435 -8.932 1.00 1.00 H new ATOM 0 HE21 GLN A 41 5.555 -2.697 -9.739 1.00 1.00 H new ATOM 0 HE22 GLN A 41 5.461 -1.096 -10.481 1.00 1.00 H new ATOM 661 N SER A 42 7.344 -1.172 -3.714 1.00 1.00 N ATOM 662 CA SER A 42 6.422 -0.739 -2.629 1.00 1.00 C ATOM 663 C SER A 42 5.790 0.574 -2.984 1.00 1.00 C ATOM 664 O SER A 42 4.588 0.699 -3.103 1.00 1.00 O ATOM 665 CB SER A 42 7.228 -0.512 -1.376 1.00 1.00 C ATOM 666 OG SER A 42 8.347 0.241 -1.818 1.00 1.00 O ATOM 0 H SER A 42 8.325 -1.269 -3.454 1.00 1.00 H new ATOM 0 HA SER A 42 5.659 -1.504 -2.489 1.00 1.00 H new ATOM 0 HB2 SER A 42 6.654 0.030 -0.625 1.00 1.00 H new ATOM 0 HB3 SER A 42 7.535 -1.455 -0.923 1.00 1.00 H new ATOM 0 HG SER A 42 9.133 -0.342 -1.872 1.00 1.00 H new ATOM 672 N ALA A 43 6.638 1.533 -3.127 1.00 1.00 N ATOM 673 CA ALA A 43 6.197 2.882 -3.477 1.00 1.00 C ATOM 674 C ALA A 43 5.083 2.830 -4.497 1.00 1.00 C ATOM 675 O ALA A 43 4.030 3.424 -4.334 1.00 1.00 O ATOM 676 CB ALA A 43 7.407 3.544 -4.104 1.00 1.00 C ATOM 0 H ALA A 43 7.646 1.430 -3.012 1.00 1.00 H new ATOM 0 HA ALA A 43 5.824 3.417 -2.604 1.00 1.00 H new ATOM 0 HB1 ALA A 43 7.154 4.564 -4.394 1.00 1.00 H new ATOM 0 HB2 ALA A 43 8.225 3.564 -3.384 1.00 1.00 H new ATOM 0 HB3 ALA A 43 7.714 2.981 -4.986 1.00 1.00 H new ATOM 682 N ASN A 44 5.345 2.110 -5.524 1.00 1.00 N ATOM 683 CA ASN A 44 4.360 1.969 -6.592 1.00 1.00 C ATOM 684 C ASN A 44 3.103 1.248 -6.080 1.00 1.00 C ATOM 685 O ASN A 44 1.999 1.729 -6.246 1.00 1.00 O ATOM 686 CB ASN A 44 5.043 1.151 -7.679 1.00 1.00 C ATOM 687 CG ASN A 44 4.057 0.872 -8.813 1.00 1.00 C ATOM 688 OD1 ASN A 44 2.913 0.530 -8.590 1.00 1.00 O ATOM 689 ND2 ASN A 44 4.464 1.007 -10.044 1.00 1.00 N ATOM 0 H ASN A 44 6.218 1.603 -5.671 1.00 1.00 H new ATOM 0 HA ASN A 44 4.034 2.940 -6.966 1.00 1.00 H new ATOM 0 HB2 ASN A 44 5.909 1.690 -8.062 1.00 1.00 H new ATOM 0 HB3 ASN A 44 5.410 0.212 -7.264 1.00 1.00 H new ATOM 0 HD21 ASN A 44 3.823 0.826 -10.816 1.00 1.00 H new ATOM 0 HD22 ASN A 44 5.424 1.294 -10.235 1.00 1.00 H new ATOM 696 N LEU A 45 3.297 0.106 -5.465 1.00 1.00 N ATOM 697 CA LEU A 45 2.137 -0.658 -4.930 1.00 1.00 C ATOM 698 C LEU A 45 1.216 0.268 -4.154 1.00 1.00 C ATOM 699 O LEU A 45 0.012 0.102 -4.157 1.00 1.00 O ATOM 700 CB LEU A 45 2.689 -1.724 -3.953 1.00 1.00 C ATOM 701 CG LEU A 45 2.915 -3.089 -4.633 1.00 1.00 C ATOM 702 CD1 LEU A 45 3.314 -2.954 -6.118 1.00 1.00 C ATOM 703 CD2 LEU A 45 4.044 -3.807 -3.892 1.00 1.00 C ATOM 0 H LEU A 45 4.209 -0.326 -5.313 1.00 1.00 H new ATOM 0 HA LEU A 45 1.582 -1.113 -5.750 1.00 1.00 H new ATOM 0 HB2 LEU A 45 3.630 -1.372 -3.531 1.00 1.00 H new ATOM 0 HB3 LEU A 45 1.993 -1.846 -3.123 1.00 1.00 H new ATOM 0 HG LEU A 45 1.978 -3.644 -4.593 1.00 1.00 H new ATOM 0 HD11 LEU A 45 3.461 -3.945 -6.547 1.00 1.00 H new ATOM 0 HD12 LEU A 45 2.523 -2.437 -6.662 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.240 -2.385 -6.196 1.00 1.00 H new ATOM 0 HD21 LEU A 45 4.224 -4.777 -4.355 1.00 1.00 H new ATOM 0 HD22 LEU A 45 4.952 -3.207 -3.943 1.00 1.00 H new ATOM 0 HD23 LEU A 45 3.762 -3.949 -2.849 1.00 1.00 H new ATOM 715 N LEU A 46 1.804 1.230 -3.499 1.00 1.00 N ATOM 716 CA LEU A 46 1.008 2.175 -2.723 1.00 1.00 C ATOM 717 C LEU A 46 0.113 3.014 -3.629 1.00 1.00 C ATOM 718 O LEU A 46 -1.093 2.974 -3.514 1.00 1.00 O ATOM 719 CB LEU A 46 1.995 3.110 -1.989 1.00 1.00 C ATOM 720 CG LEU A 46 1.355 3.639 -0.706 1.00 1.00 C ATOM 721 CD1 LEU A 46 2.085 3.072 0.530 1.00 1.00 C ATOM 722 CD2 LEU A 46 1.456 5.164 -0.703 1.00 1.00 C ATOM 0 H LEU A 46 2.811 1.390 -3.478 1.00 1.00 H new ATOM 0 HA LEU A 46 0.369 1.632 -2.027 1.00 1.00 H new ATOM 0 HB2 LEU A 46 2.912 2.571 -1.752 1.00 1.00 H new ATOM 0 HB3 LEU A 46 2.272 3.942 -2.637 1.00 1.00 H new ATOM 0 HG LEU A 46 0.311 3.329 -0.666 1.00 1.00 H new ATOM 0 HD11 LEU A 46 1.618 3.457 1.437 1.00 1.00 H new ATOM 0 HD12 LEU A 46 2.021 1.984 0.523 1.00 1.00 H new ATOM 0 HD13 LEU A 46 3.132 3.374 0.504 1.00 1.00 H new ATOM 0 HD21 LEU A 46 1.003 5.557 0.207 1.00 1.00 H new ATOM 0 HD22 LEU A 46 2.504 5.459 -0.743 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.933 5.565 -1.571 1.00 1.00 H new ATOM 734 N ALA A 47 0.723 3.748 -4.521 1.00 1.00 N ATOM 735 CA ALA A 47 -0.076 4.604 -5.443 1.00 1.00 C ATOM 736 C ALA A 47 -1.325 3.882 -5.940 1.00 1.00 C ATOM 737 O ALA A 47 -2.431 4.372 -5.798 1.00 1.00 O ATOM 738 CB ALA A 47 0.802 4.950 -6.654 1.00 1.00 C ATOM 0 H ALA A 47 1.734 3.792 -4.650 1.00 1.00 H new ATOM 0 HA ALA A 47 -0.391 5.498 -4.904 1.00 1.00 H new ATOM 0 HB1 ALA A 47 0.238 5.577 -7.345 1.00 1.00 H new ATOM 0 HB2 ALA A 47 1.690 5.486 -6.319 1.00 1.00 H new ATOM 0 HB3 ALA A 47 1.102 4.032 -7.160 1.00 1.00 H new ATOM 744 N GLU A 48 -1.124 2.728 -6.500 1.00 1.00 N ATOM 745 CA GLU A 48 -2.286 1.959 -7.017 1.00 1.00 C ATOM 746 C GLU A 48 -3.304 1.681 -5.913 1.00 1.00 C ATOM 747 O GLU A 48 -4.485 1.938 -6.071 1.00 1.00 O ATOM 748 CB GLU A 48 -1.771 0.620 -7.563 1.00 1.00 C ATOM 749 CG GLU A 48 -0.774 0.887 -8.692 1.00 1.00 C ATOM 750 CD GLU A 48 -1.230 0.156 -9.956 1.00 1.00 C ATOM 751 OE1 GLU A 48 -2.120 0.690 -10.595 1.00 1.00 O ATOM 752 OE2 GLU A 48 -0.662 -0.893 -10.209 1.00 1.00 O ATOM 0 H GLU A 48 -0.214 2.285 -6.623 1.00 1.00 H new ATOM 0 HA GLU A 48 -2.777 2.543 -7.795 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -1.293 0.049 -6.767 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -2.603 0.019 -7.931 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -0.703 1.958 -8.884 1.00 1.00 H new ATOM 0 HG3 GLU A 48 0.220 0.548 -8.401 1.00 1.00 H new ATOM 759 N ALA A 49 -2.828 1.166 -4.817 1.00 1.00 N ATOM 760 CA ALA A 49 -3.744 0.857 -3.692 1.00 1.00 C ATOM 761 C ALA A 49 -4.532 2.084 -3.250 1.00 1.00 C ATOM 762 O ALA A 49 -5.745 2.079 -3.260 1.00 1.00 O ATOM 763 CB ALA A 49 -2.899 0.374 -2.508 1.00 1.00 C ATOM 0 H ALA A 49 -1.846 0.946 -4.653 1.00 1.00 H new ATOM 0 HA ALA A 49 -4.453 0.098 -4.023 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -3.551 0.140 -1.667 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -2.345 -0.519 -2.797 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -2.199 1.157 -2.217 1.00 1.00 H new ATOM 769 N LYS A 50 -3.825 3.108 -2.865 1.00 1.00 N ATOM 770 CA LYS A 50 -4.506 4.349 -2.412 1.00 1.00 C ATOM 771 C LYS A 50 -5.711 4.678 -3.291 1.00 1.00 C ATOM 772 O LYS A 50 -6.818 4.786 -2.802 1.00 1.00 O ATOM 773 CB LYS A 50 -3.493 5.498 -2.483 1.00 1.00 C ATOM 774 CG LYS A 50 -2.298 5.169 -1.567 1.00 1.00 C ATOM 775 CD LYS A 50 -2.696 5.334 -0.088 1.00 1.00 C ATOM 776 CE LYS A 50 -2.566 3.981 0.627 1.00 1.00 C ATOM 777 NZ LYS A 50 -3.177 4.048 1.984 1.00 1.00 N ATOM 0 H LYS A 50 -2.806 3.139 -2.845 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.868 4.206 -1.394 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -3.154 5.638 -3.509 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.960 6.432 -2.172 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -1.962 4.148 -1.748 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.460 5.826 -1.801 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -2.057 6.075 0.392 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -3.720 5.701 -0.014 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -3.055 3.204 0.039 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -1.515 3.705 0.708 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -3.436 3.090 2.296 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -2.493 4.456 2.653 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -4.029 4.644 1.952 1.00 1.00 H new ATOM 791 N LYS A 51 -5.487 4.831 -4.572 1.00 1.00 N ATOM 792 CA LYS A 51 -6.635 5.154 -5.464 1.00 1.00 C ATOM 793 C LYS A 51 -7.781 4.172 -5.232 1.00 1.00 C ATOM 794 O LYS A 51 -8.934 4.555 -5.199 1.00 1.00 O ATOM 795 CB LYS A 51 -6.170 5.045 -6.931 1.00 1.00 C ATOM 796 CG LYS A 51 -7.373 5.216 -7.885 1.00 1.00 C ATOM 797 CD LYS A 51 -8.125 6.511 -7.546 1.00 1.00 C ATOM 798 CE LYS A 51 -8.938 6.953 -8.768 1.00 1.00 C ATOM 799 NZ LYS A 51 -10.144 7.721 -8.343 1.00 1.00 N ATOM 0 H LYS A 51 -4.579 4.748 -5.029 1.00 1.00 H new ATOM 0 HA LYS A 51 -6.984 6.164 -5.247 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -5.419 5.807 -7.140 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -5.697 4.077 -7.100 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -7.028 5.245 -8.919 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -8.044 4.361 -7.796 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -8.785 6.351 -6.693 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -7.420 7.292 -7.261 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -8.319 7.569 -9.421 1.00 1.00 H new ATOM 0 HE3 LYS A 51 -9.241 6.080 -9.346 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 -10.683 8.013 -9.183 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 -10.742 7.122 -7.738 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 -9.849 8.564 -7.811 1.00 1.00 H new ATOM 813 N LEU A 52 -7.444 2.920 -5.069 1.00 1.00 N ATOM 814 CA LEU A 52 -8.507 1.909 -4.842 1.00 1.00 C ATOM 815 C LEU A 52 -9.341 2.267 -3.614 1.00 1.00 C ATOM 816 O LEU A 52 -10.531 2.044 -3.591 1.00 1.00 O ATOM 817 CB LEU A 52 -7.812 0.499 -4.710 1.00 1.00 C ATOM 818 CG LEU A 52 -8.113 -0.234 -3.357 1.00 1.00 C ATOM 819 CD1 LEU A 52 -9.396 -1.080 -3.493 1.00 1.00 C ATOM 820 CD2 LEU A 52 -6.940 -1.159 -3.041 1.00 1.00 C ATOM 0 H LEU A 52 -6.490 2.561 -5.083 1.00 1.00 H new ATOM 0 HA LEU A 52 -9.203 1.884 -5.680 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -8.138 -0.134 -5.535 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -6.734 0.625 -4.811 1.00 1.00 H new ATOM 0 HG LEU A 52 -8.250 0.499 -2.562 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -9.599 -1.587 -2.550 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -10.235 -0.431 -3.745 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -9.261 -1.821 -4.281 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -7.130 -1.679 -2.102 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -6.825 -1.888 -3.843 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -6.027 -0.571 -2.952 1.00 1.00 H new ATOM 832 N ASN A 53 -8.703 2.825 -2.617 1.00 1.00 N ATOM 833 CA ASN A 53 -9.449 3.198 -1.403 1.00 1.00 C ATOM 834 C ASN A 53 -10.103 4.558 -1.581 1.00 1.00 C ATOM 835 O ASN A 53 -11.312 4.681 -1.586 1.00 1.00 O ATOM 836 CB ASN A 53 -8.455 3.283 -0.244 1.00 1.00 C ATOM 837 CG ASN A 53 -9.222 3.188 1.081 1.00 1.00 C ATOM 838 OD1 ASN A 53 -10.012 2.289 1.285 1.00 1.00 O ATOM 839 ND2 ASN A 53 -9.026 4.095 2.002 1.00 1.00 N ATOM 0 H ASN A 53 -7.705 3.033 -2.601 1.00 1.00 H new ATOM 0 HA ASN A 53 -10.222 2.455 -1.208 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -7.725 2.477 -0.315 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -7.901 4.220 -0.292 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -9.535 4.044 2.884 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -8.364 4.853 1.838 1.00 1.00 H new ATOM 846 N ASP A 54 -9.279 5.560 -1.723 1.00 1.00 N ATOM 847 CA ASP A 54 -9.806 6.929 -1.904 1.00 1.00 C ATOM 848 C ASP A 54 -10.990 6.943 -2.863 1.00 1.00 C ATOM 849 O ASP A 54 -11.776 7.868 -2.867 1.00 1.00 O ATOM 850 CB ASP A 54 -8.687 7.796 -2.494 1.00 1.00 C ATOM 851 CG ASP A 54 -7.657 8.100 -1.406 1.00 1.00 C ATOM 852 OD1 ASP A 54 -7.850 7.580 -0.318 1.00 1.00 O ATOM 853 OD2 ASP A 54 -6.735 8.834 -1.722 1.00 1.00 O ATOM 0 H ASP A 54 -8.262 5.483 -1.721 1.00 1.00 H new ATOM 0 HA ASP A 54 -10.141 7.310 -0.939 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -8.211 7.279 -3.327 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -9.100 8.724 -2.889 1.00 1.00 H new ATOM 858 N ALA A 55 -11.098 5.916 -3.665 1.00 1.00 N ATOM 859 CA ALA A 55 -12.227 5.863 -4.624 1.00 1.00 C ATOM 860 C ALA A 55 -13.563 5.718 -3.899 1.00 1.00 C ATOM 861 O ALA A 55 -14.456 6.523 -4.082 1.00 1.00 O ATOM 862 CB ALA A 55 -12.025 4.646 -5.534 1.00 1.00 C ATOM 0 H ALA A 55 -10.458 5.122 -3.694 1.00 1.00 H new ATOM 0 HA ALA A 55 -12.247 6.790 -5.198 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -12.845 4.586 -6.249 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -11.082 4.746 -6.071 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -12.004 3.739 -4.930 1.00 1.00 H new ATOM 868 N GLN A 56 -13.671 4.691 -3.083 1.00 1.00 N ATOM 869 CA GLN A 56 -14.937 4.465 -2.333 1.00 1.00 C ATOM 870 C GLN A 56 -14.663 4.290 -0.831 1.00 1.00 C ATOM 871 O GLN A 56 -14.971 3.268 -0.253 1.00 1.00 O ATOM 872 CB GLN A 56 -15.597 3.177 -2.889 1.00 1.00 C ATOM 873 CG GLN A 56 -15.101 2.916 -4.316 1.00 1.00 C ATOM 874 CD GLN A 56 -13.700 2.302 -4.260 1.00 1.00 C ATOM 875 OE1 GLN A 56 -13.099 2.212 -3.107 1.00 1.00 O flip ATOM 876 NE2 GLN A 56 -13.144 1.902 -5.263 1.00 1.00 N flip ATOM 0 H GLN A 56 -12.936 4.006 -2.909 1.00 1.00 H new ATOM 0 HA GLN A 56 -15.592 5.327 -2.458 1.00 1.00 H new ATOM 0 HB2 GLN A 56 -15.356 2.328 -2.249 1.00 1.00 H new ATOM 0 HB3 GLN A 56 -16.682 3.282 -2.884 1.00 1.00 H new ATOM 0 HG2 GLN A 56 -15.785 2.243 -4.834 1.00 1.00 H new ATOM 0 HG3 GLN A 56 -15.080 3.847 -4.882 1.00 1.00 H new ATOM 0 HE21 GLN A 56 -13.611 1.971 -6.167 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -12.210 1.497 -5.201 1.00 1.00 H new ATOM 885 N ALA A 57 -14.023 5.269 -0.248 1.00 1.00 N ATOM 886 CA ALA A 57 -13.714 5.194 1.220 1.00 1.00 C ATOM 887 C ALA A 57 -14.724 5.973 2.131 1.00 1.00 C ATOM 888 O ALA A 57 -14.384 7.034 2.618 1.00 1.00 O ATOM 889 CB ALA A 57 -12.323 5.806 1.431 1.00 1.00 C ATOM 0 H ALA A 57 -13.700 6.115 -0.717 1.00 1.00 H new ATOM 0 HA ALA A 57 -13.777 4.144 1.507 1.00 1.00 H new ATOM 0 HB1 ALA A 57 -12.066 5.768 2.489 1.00 1.00 H new ATOM 0 HB2 ALA A 57 -11.587 5.242 0.858 1.00 1.00 H new ATOM 0 HB3 ALA A 57 -12.327 6.843 1.096 1.00 1.00 H new ATOM 895 N PRO A 58 -15.945 5.463 2.362 1.00 1.00 N ATOM 896 CA PRO A 58 -16.902 6.176 3.224 1.00 1.00 C ATOM 897 C PRO A 58 -16.373 6.322 4.653 1.00 1.00 C ATOM 898 O PRO A 58 -15.226 6.029 4.931 1.00 1.00 O ATOM 899 CB PRO A 58 -18.158 5.283 3.249 1.00 1.00 C ATOM 900 CG PRO A 58 -17.812 3.984 2.478 1.00 1.00 C ATOM 901 CD PRO A 58 -16.472 4.222 1.769 1.00 1.00 C ATOM 0 HA PRO A 58 -17.090 7.181 2.846 1.00 1.00 H new ATOM 0 HB2 PRO A 58 -18.448 5.056 4.275 1.00 1.00 H new ATOM 0 HB3 PRO A 58 -19.002 5.793 2.784 1.00 1.00 H new ATOM 0 HG2 PRO A 58 -17.741 3.138 3.162 1.00 1.00 H new ATOM 0 HG3 PRO A 58 -18.593 3.745 1.756 1.00 1.00 H new ATOM 0 HD2 PRO A 58 -15.788 3.388 1.926 1.00 1.00 H new ATOM 0 HD3 PRO A 58 -16.607 4.325 0.692 1.00 1.00 H new ATOM 909 N LYS A 59 -17.231 6.770 5.534 1.00 1.00 N ATOM 910 CA LYS A 59 -16.812 6.944 6.952 1.00 1.00 C ATOM 911 C LYS A 59 -17.192 5.714 7.771 1.00 1.00 C ATOM 912 O LYS A 59 -18.077 5.769 8.602 1.00 1.00 O ATOM 913 CB LYS A 59 -17.564 8.160 7.537 1.00 1.00 C ATOM 914 CG LYS A 59 -16.883 9.479 7.125 1.00 1.00 C ATOM 915 CD LYS A 59 -16.653 10.323 8.381 1.00 1.00 C ATOM 916 CE LYS A 59 -16.075 11.682 7.980 1.00 1.00 C ATOM 917 NZ LYS A 59 -17.163 12.608 7.560 1.00 1.00 N ATOM 0 H LYS A 59 -18.199 7.021 5.331 1.00 1.00 H new ATOM 0 HA LYS A 59 -15.732 7.088 6.991 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -18.597 8.155 7.189 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -17.594 8.086 8.624 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -15.935 9.276 6.627 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -17.507 10.021 6.414 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -17.592 10.459 8.918 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -15.970 9.810 9.058 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -15.527 12.112 8.818 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -15.363 11.555 7.165 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -16.754 13.525 7.291 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -17.669 12.203 6.747 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -17.827 12.743 8.349 1.00 1.00 H new ATOM 931 N ALA A 60 -16.517 4.629 7.528 1.00 1.00 N ATOM 932 CA ALA A 60 -16.833 3.396 8.290 1.00 1.00 C ATOM 933 C ALA A 60 -16.947 3.700 9.780 1.00 1.00 C ATOM 934 O ALA A 60 -18.032 3.488 10.294 1.00 1.00 O ATOM 935 CB ALA A 60 -15.698 2.390 8.072 1.00 1.00 C ATOM 936 OXT ALA A 60 -15.943 4.128 10.322 1.00 1.00 O ATOM 0 H ALA A 60 -15.767 4.543 6.842 1.00 1.00 H new ATOM 0 HA ALA A 60 -17.784 2.992 7.943 1.00 1.00 H new ATOM 0 HB1 ALA A 60 -15.912 1.475 8.625 1.00 1.00 H new ATOM 0 HB2 ALA A 60 -15.614 2.161 7.010 1.00 1.00 H new ATOM 0 HB3 ALA A 60 -14.760 2.817 8.426 1.00 1.00 H new TER 942 ALA A 60