USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 27 SER OG : rot -91:sc= 0.788 USER MOD Set 1.2: A 28 GLN : amide:sc= 0.694 K(o=1.5,f=-2.9) USER MOD Single : A 6 HIS : no HD1:sc= -0.0584 K(o=-0.058,f=-3.7!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 88:sc= 0.378 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -169:sc= 0 (180deg=-0.183) USER MOD Single : A 24 THR OG1 : rot -63:sc= -0.543 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00845 X(o=-0.0085,f=-0.038) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0862 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.166) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 8.038 5.627 -5.624 1.00 34.43 N ATOM 72 CA ASP A 5 7.648 6.941 -6.121 1.00 31.01 C ATOM 73 C ASP A 5 6.536 7.539 -5.264 1.00 23.51 C ATOM 74 O ASP A 5 6.701 8.605 -4.671 1.00 14.12 O ATOM 75 CB ASP A 5 7.190 6.844 -7.577 1.00 31.30 C ATOM 76 CG ASP A 5 8.341 6.967 -8.556 1.00 23.05 C ATOM 77 OD1 ASP A 5 8.767 5.929 -9.105 1.00 4.14 O ATOM 78 OD2 ASP A 5 8.816 8.101 -8.773 1.00 14.30 O ATOM 0 HA ASP A 5 8.518 7.596 -6.064 1.00 31.01 H new ATOM 0 HB2 ASP A 5 6.685 5.891 -7.733 1.00 31.30 H new ATOM 0 HB3 ASP A 5 6.460 7.628 -7.778 1.00 31.30 H new ATOM 83 N HIS A 6 5.404 6.845 -5.204 1.00 60.32 N ATOM 84 CA HIS A 6 4.264 7.307 -4.420 1.00 4.10 C ATOM 85 C HIS A 6 4.652 7.492 -2.956 1.00 34.22 C ATOM 86 O HIS A 6 4.022 8.260 -2.229 1.00 73.14 O ATOM 87 CB HIS A 6 3.106 6.316 -4.532 1.00 55.10 C ATOM 88 CG HIS A 6 1.779 6.901 -4.156 1.00 30.24 C ATOM 89 ND1 HIS A 6 0.668 6.132 -3.882 1.00 73.54 N ATOM 90 CD2 HIS A 6 1.389 8.188 -4.006 1.00 44.40 C ATOM 91 CE1 HIS A 6 -0.348 6.921 -3.583 1.00 35.33 C ATOM 92 NE2 HIS A 6 0.063 8.174 -3.650 1.00 22.10 N ATOM 0 H HIS A 6 5.252 5.961 -5.689 1.00 60.32 H new ATOM 0 HA HIS A 6 3.946 8.271 -4.818 1.00 4.10 H new ATOM 0 HB2 HIS A 6 3.054 5.945 -5.556 1.00 55.10 H new ATOM 0 HB3 HIS A 6 3.310 5.458 -3.892 1.00 55.10 H new ATOM 0 HD2 HIS A 6 2.006 9.064 -4.141 1.00 44.40 H new ATOM 0 HE1 HIS A 6 -1.346 6.596 -3.327 1.00 35.33 H new ATOM 0 HE2 HIS A 6 -0.511 8.997 -3.467 1.00 22.10 H new ATOM 100 N ALA A 7 5.691 6.782 -2.530 1.00 21.15 N ATOM 101 CA ALA A 7 6.163 6.869 -1.153 1.00 74.30 C ATOM 102 C ALA A 7 6.818 8.218 -0.881 1.00 50.53 C ATOM 103 O ALA A 7 6.353 8.986 -0.038 1.00 45.13 O ATOM 104 CB ALA A 7 7.136 5.738 -0.856 1.00 62.23 C ATOM 0 H ALA A 7 6.222 6.140 -3.118 1.00 21.15 H new ATOM 0 HA ALA A 7 5.301 6.774 -0.493 1.00 74.30 H new ATOM 0 HB1 ALA A 7 7.480 5.816 0.175 1.00 62.23 H new ATOM 0 HB2 ALA A 7 6.636 4.780 -1.001 1.00 62.23 H new ATOM 0 HB3 ALA A 7 7.990 5.807 -1.530 1.00 62.23 H new ATOM 110 N ARG A 8 7.900 8.501 -1.600 1.00 14.22 N ATOM 111 CA ARG A 8 8.620 9.758 -1.434 1.00 72.03 C ATOM 112 C ARG A 8 7.677 10.948 -1.581 1.00 14.52 C ATOM 113 O ARG A 8 7.880 11.995 -0.965 1.00 23.23 O ATOM 114 CB ARG A 8 9.751 9.861 -2.459 1.00 21.11 C ATOM 115 CG ARG A 8 9.299 9.624 -3.891 1.00 24.13 C ATOM 116 CD ARG A 8 10.450 9.783 -4.872 1.00 4.44 C ATOM 117 NE ARG A 8 10.633 11.174 -5.280 1.00 73.44 N ATOM 118 CZ ARG A 8 11.437 11.550 -6.269 1.00 32.45 C ATOM 119 NH1 ARG A 8 12.129 10.644 -6.946 1.00 31.14 N ATOM 120 NH2 ARG A 8 11.549 12.834 -6.581 1.00 44.25 N ATOM 0 H ARG A 8 8.297 7.877 -2.303 1.00 14.22 H new ATOM 0 HA ARG A 8 9.045 9.775 -0.430 1.00 72.03 H new ATOM 0 HB2 ARG A 8 10.204 10.850 -2.389 1.00 21.11 H new ATOM 0 HB3 ARG A 8 10.526 9.137 -2.207 1.00 21.11 H new ATOM 0 HG2 ARG A 8 8.879 8.622 -3.980 1.00 24.13 H new ATOM 0 HG3 ARG A 8 8.504 10.326 -4.144 1.00 24.13 H new ATOM 0 HD2 ARG A 8 11.369 9.415 -4.415 1.00 4.44 H new ATOM 0 HD3 ARG A 8 10.263 9.168 -5.753 1.00 4.44 H new ATOM 0 HE ARG A 8 10.115 11.896 -4.778 1.00 73.44 H new ATOM 0 HH11 ARG A 8 12.045 9.656 -6.708 1.00 31.14 H new ATOM 0 HH12 ARG A 8 12.745 10.935 -7.705 1.00 31.14 H new ATOM 0 HH21 ARG A 8 11.018 13.533 -6.062 1.00 44.25 H new ATOM 0 HH22 ARG A 8 12.166 13.122 -7.340 1.00 44.25 H new ATOM 134 N PHE A 9 6.644 10.781 -2.401 1.00 3.52 N ATOM 135 CA PHE A 9 5.670 11.842 -2.630 1.00 4.43 C ATOM 136 C PHE A 9 4.781 12.037 -1.406 1.00 15.25 C ATOM 137 O PHE A 9 4.724 13.126 -0.832 1.00 21.45 O ATOM 138 CB PHE A 9 4.810 11.519 -3.853 1.00 62.11 C ATOM 139 CG PHE A 9 5.294 12.173 -5.116 1.00 13.23 C ATOM 140 CD1 PHE A 9 4.672 13.311 -5.604 1.00 2.33 C ATOM 141 CD2 PHE A 9 6.369 11.650 -5.815 1.00 24.21 C ATOM 142 CE1 PHE A 9 5.115 13.916 -6.765 1.00 53.21 C ATOM 143 CE2 PHE A 9 6.817 12.250 -6.976 1.00 54.54 C ATOM 144 CZ PHE A 9 6.188 13.384 -7.453 1.00 12.31 C ATOM 0 H PHE A 9 6.460 9.921 -2.918 1.00 3.52 H new ATOM 0 HA PHE A 9 6.215 12.768 -2.813 1.00 4.43 H new ATOM 0 HB2 PHE A 9 4.789 10.439 -3.998 1.00 62.11 H new ATOM 0 HB3 PHE A 9 3.785 11.834 -3.660 1.00 62.11 H new ATOM 0 HD1 PHE A 9 3.831 13.730 -5.071 1.00 2.33 H new ATOM 0 HD2 PHE A 9 6.863 10.762 -5.448 1.00 24.21 H new ATOM 0 HE1 PHE A 9 4.623 14.804 -7.134 1.00 53.21 H new ATOM 0 HE2 PHE A 9 7.658 11.833 -7.510 1.00 54.54 H new ATOM 0 HZ PHE A 9 6.535 13.853 -8.362 1.00 12.31 H new ATOM 154 N LEU A 10 4.086 10.975 -1.011 1.00 44.44 N ATOM 155 CA LEU A 10 3.198 11.028 0.144 1.00 11.05 C ATOM 156 C LEU A 10 3.960 11.445 1.398 1.00 12.13 C ATOM 157 O LEU A 10 3.485 12.270 2.179 1.00 74.44 O ATOM 158 CB LEU A 10 2.535 9.667 0.366 1.00 43.14 C ATOM 159 CG LEU A 10 1.024 9.686 0.597 1.00 0.24 C ATOM 160 CD1 LEU A 10 0.315 8.822 -0.434 1.00 11.03 C ATOM 161 CD2 LEU A 10 0.695 9.217 2.007 1.00 73.51 C ATOM 0 H LEU A 10 4.121 10.067 -1.474 1.00 44.44 H new ATOM 0 HA LEU A 10 2.427 11.773 -0.056 1.00 11.05 H new ATOM 0 HB2 LEU A 10 2.742 9.039 -0.500 1.00 43.14 H new ATOM 0 HB3 LEU A 10 3.008 9.191 1.225 1.00 43.14 H new ATOM 0 HG LEU A 10 0.671 10.711 0.485 1.00 0.24 H new ATOM 0 HD11 LEU A 10 -0.760 8.848 -0.253 1.00 11.03 H new ATOM 0 HD12 LEU A 10 0.524 9.203 -1.434 1.00 11.03 H new ATOM 0 HD13 LEU A 10 0.671 7.795 -0.355 1.00 11.03 H new ATOM 0 HD21 LEU A 10 -0.385 9.237 2.154 1.00 73.51 H new ATOM 0 HD22 LEU A 10 1.062 8.200 2.147 1.00 73.51 H new ATOM 0 HD23 LEU A 10 1.172 9.878 2.731 1.00 73.51 H new ATOM 173 N GLN A 11 5.144 10.871 1.583 1.00 44.40 N ATOM 174 CA GLN A 11 5.972 11.185 2.741 1.00 4.44 C ATOM 175 C GLN A 11 6.242 12.684 2.827 1.00 25.04 C ATOM 176 O GLN A 11 6.078 13.296 3.883 1.00 15.41 O ATOM 177 CB GLN A 11 7.295 10.420 2.672 1.00 50.00 C ATOM 178 CG GLN A 11 8.130 10.533 3.937 1.00 45.11 C ATOM 179 CD GLN A 11 9.503 11.122 3.679 1.00 64.23 C ATOM 180 OE1 GLN A 11 9.793 12.250 4.078 1.00 51.10 O ATOM 181 NE2 GLN A 11 10.358 10.359 3.008 1.00 64.22 N ATOM 0 H GLN A 11 5.551 10.186 0.946 1.00 44.40 H new ATOM 0 HA GLN A 11 5.430 10.880 3.636 1.00 4.44 H new ATOM 0 HB2 GLN A 11 7.087 9.368 2.477 1.00 50.00 H new ATOM 0 HB3 GLN A 11 7.877 10.792 1.828 1.00 50.00 H new ATOM 0 HG2 GLN A 11 7.603 11.154 4.662 1.00 45.11 H new ATOM 0 HG3 GLN A 11 8.241 9.545 4.384 1.00 45.11 H new ATOM 0 HE21 GLN A 11 10.076 9.430 2.696 1.00 64.22 H new ATOM 0 HE22 GLN A 11 11.297 10.702 2.805 1.00 64.22 H new ATOM 190 N THR A 12 6.659 13.270 1.709 1.00 2.54 N ATOM 191 CA THR A 12 6.954 14.697 1.659 1.00 72.14 C ATOM 192 C THR A 12 5.729 15.525 2.029 1.00 33.23 C ATOM 193 O THR A 12 5.790 16.381 2.911 1.00 43.32 O ATOM 194 CB THR A 12 7.442 15.120 0.260 1.00 15.32 C ATOM 195 OG1 THR A 12 8.780 14.658 0.047 1.00 30.04 O ATOM 196 CG2 THR A 12 7.391 16.633 0.105 1.00 62.35 C ATOM 0 H THR A 12 6.800 12.779 0.826 1.00 2.54 H new ATOM 0 HA THR A 12 7.746 14.882 2.384 1.00 72.14 H new ATOM 0 HB THR A 12 6.782 14.672 -0.482 1.00 15.32 H new ATOM 0 HG1 THR A 12 8.758 13.750 -0.321 1.00 30.04 H new ATOM 0 HG21 THR A 12 7.740 16.909 -0.890 1.00 62.35 H new ATOM 0 HG22 THR A 12 6.366 16.978 0.239 1.00 62.35 H new ATOM 0 HG23 THR A 12 8.031 17.097 0.855 1.00 62.35 H new ATOM 204 N ALA A 13 4.616 15.263 1.351 1.00 2.21 N ATOM 205 CA ALA A 13 3.376 15.983 1.612 1.00 74.24 C ATOM 206 C ALA A 13 3.039 15.976 3.099 1.00 73.42 C ATOM 207 O ALA A 13 2.837 17.028 3.706 1.00 72.43 O ATOM 208 CB ALA A 13 2.235 15.377 0.807 1.00 1.02 C ATOM 0 H ALA A 13 4.548 14.558 0.617 1.00 2.21 H new ATOM 0 HA ALA A 13 3.514 17.019 1.303 1.00 74.24 H new ATOM 0 HB1 ALA A 13 1.315 15.924 1.011 1.00 1.02 H new ATOM 0 HB2 ALA A 13 2.466 15.440 -0.256 1.00 1.02 H new ATOM 0 HB3 ALA A 13 2.106 14.332 1.089 1.00 1.02 H new ATOM 214 N LYS A 14 2.979 14.783 3.681 1.00 32.23 N ATOM 215 CA LYS A 14 2.667 14.638 5.098 1.00 33.51 C ATOM 216 C LYS A 14 3.723 15.321 5.961 1.00 52.23 C ATOM 217 O LYS A 14 3.396 16.044 6.901 1.00 24.12 O ATOM 218 CB LYS A 14 2.569 13.156 5.471 1.00 43.43 C ATOM 219 CG LYS A 14 1.145 12.677 5.692 1.00 1.45 C ATOM 220 CD LYS A 14 1.015 11.898 6.990 1.00 33.41 C ATOM 221 CE LYS A 14 -0.409 11.409 7.206 1.00 73.42 C ATOM 222 NZ LYS A 14 -0.592 10.811 8.558 1.00 42.15 N ATOM 0 H LYS A 14 3.142 13.902 3.193 1.00 32.23 H new ATOM 0 HA LYS A 14 1.706 15.118 5.283 1.00 33.51 H new ATOM 0 HB2 LYS A 14 3.025 12.560 4.680 1.00 43.43 H new ATOM 0 HB3 LYS A 14 3.148 12.979 6.378 1.00 43.43 H new ATOM 0 HG2 LYS A 14 0.471 13.533 5.711 1.00 1.45 H new ATOM 0 HG3 LYS A 14 0.838 12.048 4.857 1.00 1.45 H new ATOM 0 HD2 LYS A 14 1.695 11.046 6.974 1.00 33.41 H new ATOM 0 HD3 LYS A 14 1.315 12.530 7.826 1.00 33.41 H new ATOM 0 HE2 LYS A 14 -1.102 12.241 7.080 1.00 73.42 H new ATOM 0 HE3 LYS A 14 -0.658 10.669 6.445 1.00 73.42 H new ATOM 0 HZ1 LYS A 14 -1.575 10.490 8.665 1.00 42.15 H new ATOM 0 HZ2 LYS A 14 0.051 10.001 8.669 1.00 42.15 H new ATOM 0 HZ3 LYS A 14 -0.379 11.524 9.285 1.00 42.15 H new ATOM 236 N ASN A 15 4.990 15.089 5.633 1.00 74.43 N ATOM 237 CA ASN A 15 6.094 15.683 6.377 1.00 15.24 C ATOM 238 C ASN A 15 5.937 17.198 6.465 1.00 11.31 C ATOM 239 O ASN A 15 6.363 17.821 7.438 1.00 1.02 O ATOM 240 CB ASN A 15 7.429 15.335 5.716 1.00 35.31 C ATOM 241 CG ASN A 15 8.612 15.933 6.452 1.00 71.00 C ATOM 242 OD1 ASN A 15 8.664 15.918 7.682 1.00 64.21 O ATOM 243 ND2 ASN A 15 9.569 16.464 5.700 1.00 11.11 N ATOM 0 H ASN A 15 5.277 14.493 4.856 1.00 74.43 H new ATOM 0 HA ASN A 15 6.080 15.274 7.387 1.00 15.24 H new ATOM 0 HB2 ASN A 15 7.540 14.251 5.676 1.00 35.31 H new ATOM 0 HB3 ASN A 15 7.426 15.694 4.687 1.00 35.31 H new ATOM 0 HD21 ASN A 15 10.390 16.882 6.139 1.00 11.11 H new ATOM 0 HD22 ASN A 15 9.484 16.454 4.684 1.00 11.11 H new ATOM 250 N ILE A 16 5.323 17.784 5.443 1.00 53.21 N ATOM 251 CA ILE A 16 5.108 19.225 5.406 1.00 43.45 C ATOM 252 C ILE A 16 4.125 19.663 6.486 1.00 41.22 C ATOM 253 O ILE A 16 4.386 20.606 7.234 1.00 54.44 O ATOM 254 CB ILE A 16 4.581 19.681 4.032 1.00 32.31 C ATOM 255 CG1 ILE A 16 5.619 19.401 2.944 1.00 24.30 C ATOM 256 CG2 ILE A 16 4.226 21.160 4.065 1.00 74.32 C ATOM 257 CD1 ILE A 16 5.011 19.035 1.608 1.00 45.20 C ATOM 0 H ILE A 16 4.966 17.283 4.630 1.00 53.21 H new ATOM 0 HA ILE A 16 6.076 19.692 5.588 1.00 43.45 H new ATOM 0 HB ILE A 16 3.678 19.116 3.800 1.00 32.31 H new ATOM 0 HG12 ILE A 16 6.248 20.282 2.818 1.00 24.30 H new ATOM 0 HG13 ILE A 16 6.268 18.590 3.273 1.00 24.30 H new ATOM 0 HG21 ILE A 16 3.855 21.467 3.087 1.00 74.32 H new ATOM 0 HG22 ILE A 16 3.455 21.332 4.816 1.00 74.32 H new ATOM 0 HG23 ILE A 16 5.113 21.742 4.316 1.00 74.32 H new ATOM 0 HD11 ILE A 16 5.806 18.850 0.885 1.00 45.20 H new ATOM 0 HD12 ILE A 16 4.404 18.136 1.718 1.00 45.20 H new ATOM 0 HD13 ILE A 16 4.384 19.855 1.257 1.00 45.20 H new ATOM 269 N THR A 17 2.993 18.970 6.564 1.00 1.40 N ATOM 270 CA THR A 17 1.970 19.286 7.553 1.00 4.41 C ATOM 271 C THR A 17 2.362 18.770 8.933 1.00 72.01 C ATOM 272 O THR A 17 1.905 19.288 9.951 1.00 32.44 O ATOM 273 CB THR A 17 0.606 18.688 7.161 1.00 1.15 C ATOM 274 OG1 THR A 17 0.604 18.340 5.772 1.00 24.05 O ATOM 275 CG2 THR A 17 -0.518 19.673 7.444 1.00 50.30 C ATOM 0 H THR A 17 2.762 18.186 5.954 1.00 1.40 H new ATOM 0 HA THR A 17 1.886 20.372 7.585 1.00 4.41 H new ATOM 0 HB THR A 17 0.442 17.792 7.759 1.00 1.15 H new ATOM 0 HG1 THR A 17 -0.266 17.959 5.531 1.00 24.05 H new ATOM 0 HG21 THR A 17 -1.472 19.229 7.159 1.00 50.30 H new ATOM 0 HG22 THR A 17 -0.533 19.913 8.507 1.00 50.30 H new ATOM 0 HG23 THR A 17 -0.356 20.585 6.869 1.00 50.30 H new ATOM 283 N GLU A 18 3.211 17.747 8.958 1.00 14.21 N ATOM 284 CA GLU A 18 3.663 17.161 10.215 1.00 52.44 C ATOM 285 C GLU A 18 4.768 18.006 10.842 1.00 0.00 C ATOM 286 O GLU A 18 4.811 18.186 12.059 1.00 12.51 O ATOM 287 CB GLU A 18 4.164 15.734 9.986 1.00 21.13 C ATOM 288 CG GLU A 18 3.055 14.695 9.965 1.00 40.54 C ATOM 289 CD GLU A 18 3.567 13.290 10.210 1.00 64.53 C ATOM 290 OE1 GLU A 18 3.906 12.976 11.370 1.00 32.03 O ATOM 291 OE2 GLU A 18 3.630 12.503 9.242 1.00 43.22 O ATOM 0 H GLU A 18 3.599 17.307 8.123 1.00 14.21 H new ATOM 0 HA GLU A 18 2.816 17.135 10.901 1.00 52.44 H new ATOM 0 HB2 GLU A 18 4.705 15.695 9.040 1.00 21.13 H new ATOM 0 HB3 GLU A 18 4.876 15.478 10.771 1.00 21.13 H new ATOM 0 HG2 GLU A 18 2.314 14.945 10.724 1.00 40.54 H new ATOM 0 HG3 GLU A 18 2.548 14.730 9.001 1.00 40.54 H new ATOM 298 N ARG A 19 5.660 18.520 10.002 1.00 5.43 N ATOM 299 CA ARG A 19 6.767 19.344 10.474 1.00 41.22 C ATOM 300 C ARG A 19 6.263 20.690 10.987 1.00 31.21 C ATOM 301 O ARG A 19 6.669 21.151 12.054 1.00 34.21 O ATOM 302 CB ARG A 19 7.783 19.563 9.351 1.00 73.21 C ATOM 303 CG ARG A 19 9.111 20.123 9.832 1.00 41.42 C ATOM 304 CD ARG A 19 9.588 21.264 8.946 1.00 61.53 C ATOM 305 NE ARG A 19 10.941 21.694 9.289 1.00 52.14 N ATOM 306 CZ ARG A 19 11.239 22.372 10.391 1.00 11.14 C ATOM 307 NH1 ARG A 19 10.285 22.695 11.254 1.00 73.54 N ATOM 308 NH2 ARG A 19 12.494 22.728 10.634 1.00 51.53 N ATOM 0 H ARG A 19 5.638 18.381 8.992 1.00 5.43 H new ATOM 0 HA ARG A 19 7.252 18.819 11.297 1.00 41.22 H new ATOM 0 HB2 ARG A 19 7.961 18.615 8.843 1.00 73.21 H new ATOM 0 HB3 ARG A 19 7.357 20.244 8.614 1.00 73.21 H new ATOM 0 HG2 ARG A 19 9.008 20.476 10.858 1.00 41.42 H new ATOM 0 HG3 ARG A 19 9.859 19.331 9.841 1.00 41.42 H new ATOM 0 HD2 ARG A 19 9.561 20.949 7.903 1.00 61.53 H new ATOM 0 HD3 ARG A 19 8.904 22.108 9.042 1.00 61.53 H new ATOM 0 HE ARG A 19 11.698 21.461 8.647 1.00 52.14 H new ATOM 0 HH11 ARG A 19 9.319 22.422 11.072 1.00 73.54 H new ATOM 0 HH12 ARG A 19 10.517 23.216 12.100 1.00 73.54 H new ATOM 0 HH21 ARG A 19 13.231 22.481 9.974 1.00 51.53 H new ATOM 0 HH22 ARG A 19 12.721 23.249 11.481 1.00 51.53 H new ATOM 322 N VAL A 20 5.376 21.316 10.220 1.00 71.53 N ATOM 323 CA VAL A 20 4.816 22.608 10.597 1.00 73.24 C ATOM 324 C VAL A 20 4.169 22.545 11.976 1.00 40.22 C ATOM 325 O VAL A 20 4.376 23.426 12.810 1.00 22.03 O ATOM 326 CB VAL A 20 3.770 23.086 9.572 1.00 15.24 C ATOM 327 CG1 VAL A 20 2.697 22.026 9.369 1.00 5.41 C ATOM 328 CG2 VAL A 20 3.152 24.403 10.018 1.00 35.20 C ATOM 0 H VAL A 20 5.030 20.949 9.334 1.00 71.53 H new ATOM 0 HA VAL A 20 5.643 23.318 10.619 1.00 73.24 H new ATOM 0 HB VAL A 20 4.270 23.249 8.617 1.00 15.24 H new ATOM 0 HG11 VAL A 20 1.967 22.382 8.642 1.00 5.41 H new ATOM 0 HG12 VAL A 20 3.157 21.108 9.003 1.00 5.41 H new ATOM 0 HG13 VAL A 20 2.197 21.828 10.317 1.00 5.41 H new ATOM 0 HG21 VAL A 20 2.415 24.727 9.283 1.00 35.20 H new ATOM 0 HG22 VAL A 20 2.666 24.268 10.984 1.00 35.20 H new ATOM 0 HG23 VAL A 20 3.932 25.159 10.107 1.00 35.20 H new ATOM 338 N SER A 21 3.385 21.498 12.209 1.00 72.44 N ATOM 339 CA SER A 21 2.704 21.321 13.486 1.00 4.12 C ATOM 340 C SER A 21 3.707 21.287 14.636 1.00 41.14 C ATOM 341 O SER A 21 3.539 21.977 15.641 1.00 41.13 O ATOM 342 CB SER A 21 1.880 20.032 13.475 1.00 1.33 C ATOM 343 OG SER A 21 0.572 20.259 13.971 1.00 2.24 O ATOM 0 H SER A 21 3.205 20.759 11.530 1.00 72.44 H new ATOM 0 HA SER A 21 2.036 22.169 13.634 1.00 4.12 H new ATOM 0 HB2 SER A 21 1.824 19.641 12.459 1.00 1.33 H new ATOM 0 HB3 SER A 21 2.376 19.274 14.082 1.00 1.33 H new ATOM 0 HG SER A 21 0.065 19.421 13.952 1.00 2.24 H new ATOM 349 N MET A 22 4.750 20.479 14.479 1.00 63.23 N ATOM 350 CA MET A 22 5.781 20.355 15.502 1.00 5.04 C ATOM 351 C MET A 22 6.391 21.715 15.828 1.00 54.23 C ATOM 352 O MET A 22 6.638 22.032 16.991 1.00 43.54 O ATOM 353 CB MET A 22 6.876 19.391 15.041 1.00 74.54 C ATOM 354 CG MET A 22 6.771 18.009 15.666 1.00 62.12 C ATOM 355 SD MET A 22 8.220 16.986 15.337 1.00 55.51 S ATOM 356 CE MET A 22 8.056 16.726 13.572 1.00 24.03 C ATOM 0 H MET A 22 4.903 19.900 13.653 1.00 63.23 H new ATOM 0 HA MET A 22 5.315 19.959 16.404 1.00 5.04 H new ATOM 0 HB2 MET A 22 6.831 19.295 13.956 1.00 74.54 H new ATOM 0 HB3 MET A 22 7.850 19.817 15.283 1.00 74.54 H new ATOM 0 HG2 MET A 22 6.640 18.111 16.743 1.00 62.12 H new ATOM 0 HG3 MET A 22 5.882 17.508 15.283 1.00 62.12 H new ATOM 0 HE1 MET A 22 8.759 15.958 13.251 1.00 24.03 H new ATOM 0 HE2 MET A 22 7.039 16.406 13.344 1.00 24.03 H new ATOM 0 HE3 MET A 22 8.270 17.656 13.046 1.00 24.03 H new ATOM 366 N ALA A 23 6.630 22.514 14.793 1.00 12.21 N ATOM 367 CA ALA A 23 7.208 23.840 14.970 1.00 42.42 C ATOM 368 C ALA A 23 6.288 24.735 15.793 1.00 2.34 C ATOM 369 O ALA A 23 6.667 25.219 16.860 1.00 3.44 O ATOM 370 CB ALA A 23 7.494 24.476 13.617 1.00 12.12 C ATOM 0 H ALA A 23 6.432 22.266 13.824 1.00 12.21 H new ATOM 0 HA ALA A 23 8.146 23.730 15.514 1.00 42.42 H new ATOM 0 HB1 ALA A 23 7.925 25.466 13.764 1.00 12.12 H new ATOM 0 HB2 ALA A 23 8.196 23.853 13.063 1.00 12.12 H new ATOM 0 HB3 ALA A 23 6.565 24.565 13.053 1.00 12.12 H new ATOM 376 N THR A 24 5.077 24.953 15.291 1.00 35.42 N ATOM 377 CA THR A 24 4.103 25.791 15.979 1.00 21.15 C ATOM 378 C THR A 24 3.883 25.316 17.411 1.00 21.11 C ATOM 379 O THR A 24 3.537 26.104 18.290 1.00 10.33 O ATOM 380 CB THR A 24 2.751 25.804 15.241 1.00 22.44 C ATOM 381 OG1 THR A 24 2.881 25.156 13.971 1.00 54.23 O ATOM 382 CG2 THR A 24 2.257 27.228 15.042 1.00 13.42 C ATOM 0 H THR A 24 4.747 24.560 14.409 1.00 35.42 H new ATOM 0 HA THR A 24 4.510 26.802 15.993 1.00 21.15 H new ATOM 0 HB THR A 24 2.024 25.267 15.850 1.00 22.44 H new ATOM 0 HG1 THR A 24 3.511 25.656 13.412 1.00 54.23 H new ATOM 0 HG21 THR A 24 1.301 27.212 14.519 1.00 13.42 H new ATOM 0 HG22 THR A 24 2.132 27.709 16.012 1.00 13.42 H new ATOM 0 HG23 THR A 24 2.984 27.786 14.452 1.00 13.42 H new ATOM 390 N ALA A 25 4.087 24.022 17.638 1.00 12.54 N ATOM 391 CA ALA A 25 3.913 23.443 18.965 1.00 42.33 C ATOM 392 C ALA A 25 5.123 23.725 19.849 1.00 30.14 C ATOM 393 O ALA A 25 5.005 23.805 21.072 1.00 33.40 O ATOM 394 CB ALA A 25 3.672 21.945 18.859 1.00 72.22 C ATOM 0 H ALA A 25 4.373 23.355 16.921 1.00 12.54 H new ATOM 0 HA ALA A 25 3.042 23.908 19.427 1.00 42.33 H new ATOM 0 HB1 ALA A 25 3.544 21.526 19.857 1.00 72.22 H new ATOM 0 HB2 ALA A 25 2.773 21.762 18.270 1.00 72.22 H new ATOM 0 HB3 ALA A 25 4.526 21.473 18.374 1.00 72.22 H new ATOM 400 N SER A 26 6.286 23.874 19.224 1.00 61.05 N ATOM 401 CA SER A 26 7.519 24.142 19.955 1.00 52.21 C ATOM 402 C SER A 26 7.889 25.620 19.872 1.00 63.24 C ATOM 403 O SER A 26 8.960 26.029 20.321 1.00 14.14 O ATOM 404 CB SER A 26 8.661 23.287 19.403 1.00 34.50 C ATOM 405 OG SER A 26 9.099 22.340 20.363 1.00 52.43 O ATOM 0 H SER A 26 6.401 23.814 18.212 1.00 61.05 H new ATOM 0 HA SER A 26 7.355 23.884 21.001 1.00 52.21 H new ATOM 0 HB2 SER A 26 8.330 22.770 18.502 1.00 34.50 H new ATOM 0 HB3 SER A 26 9.493 23.929 19.114 1.00 34.50 H new ATOM 0 HG SER A 26 9.828 21.805 19.986 1.00 52.43 H new ATOM 411 N SER A 27 6.996 26.416 19.293 1.00 71.33 N ATOM 412 CA SER A 27 7.229 27.848 19.146 1.00 22.31 C ATOM 413 C SER A 27 6.407 28.639 20.159 1.00 25.55 C ATOM 414 O SER A 27 6.851 29.669 20.665 1.00 45.14 O ATOM 415 CB SER A 27 6.882 28.300 17.726 1.00 34.25 C ATOM 416 OG SER A 27 7.117 29.687 17.561 1.00 4.31 O ATOM 0 H SER A 27 6.104 26.093 18.918 1.00 71.33 H new ATOM 0 HA SER A 27 8.286 28.040 19.332 1.00 22.31 H new ATOM 0 HB2 SER A 27 7.478 27.739 17.006 1.00 34.25 H new ATOM 0 HB3 SER A 27 5.836 28.078 17.516 1.00 34.25 H new ATOM 0 HG SER A 27 6.298 30.184 17.768 1.00 4.31 H new ATOM 422 N GLN A 28 5.207 28.147 20.451 1.00 43.42 N ATOM 423 CA GLN A 28 4.323 28.808 21.403 1.00 14.31 C ATOM 424 C GLN A 28 3.793 27.816 22.433 1.00 74.02 C ATOM 425 O GLN A 28 4.246 27.791 23.577 1.00 1.00 O ATOM 426 CB GLN A 28 3.156 29.474 20.671 1.00 60.53 C ATOM 427 CG GLN A 28 3.398 30.939 20.345 1.00 22.50 C ATOM 428 CD GLN A 28 3.828 31.153 18.907 1.00 4.33 C ATOM 429 OE1 GLN A 28 4.467 30.291 18.303 1.00 55.13 O ATOM 430 NE2 GLN A 28 3.480 32.308 18.351 1.00 24.12 N ATOM 0 H GLN A 28 4.825 27.294 20.042 1.00 43.42 H new ATOM 0 HA GLN A 28 4.899 29.572 21.924 1.00 14.31 H new ATOM 0 HB2 GLN A 28 2.962 28.932 19.746 1.00 60.53 H new ATOM 0 HB3 GLN A 28 2.258 29.390 21.284 1.00 60.53 H new ATOM 0 HG2 GLN A 28 2.486 31.505 20.536 1.00 22.50 H new ATOM 0 HG3 GLN A 28 4.164 31.334 21.012 1.00 22.50 H new ATOM 0 HE21 GLN A 28 2.950 32.994 18.889 1.00 24.12 H new ATOM 0 HE22 GLN A 28 3.743 32.509 17.386 1.00 24.12 H new ATOM 439 N VAL A 29 2.829 26.999 22.019 1.00 51.21 N ATOM 440 CA VAL A 29 2.237 26.004 22.905 1.00 2.12 C ATOM 441 C VAL A 29 1.184 25.176 22.177 1.00 45.23 C ATOM 442 O VAL A 29 1.007 23.990 22.458 1.00 3.22 O ATOM 443 CB VAL A 29 1.593 26.664 24.139 1.00 75.33 C ATOM 444 CG1 VAL A 29 0.558 27.694 23.714 1.00 54.22 C ATOM 445 CG2 VAL A 29 0.968 25.610 25.041 1.00 63.32 C ATOM 0 H VAL A 29 2.442 27.007 21.075 1.00 51.21 H new ATOM 0 HA VAL A 29 3.046 25.350 23.232 1.00 2.12 H new ATOM 0 HB VAL A 29 2.372 27.177 24.703 1.00 75.33 H new ATOM 0 HG11 VAL A 29 0.114 28.150 24.599 1.00 54.22 H new ATOM 0 HG12 VAL A 29 1.038 28.465 23.111 1.00 54.22 H new ATOM 0 HG13 VAL A 29 -0.221 27.207 23.127 1.00 54.22 H new ATOM 0 HG21 VAL A 29 0.518 26.094 25.908 1.00 63.32 H new ATOM 0 HG22 VAL A 29 0.201 25.067 24.489 1.00 63.32 H new ATOM 0 HG23 VAL A 29 1.737 24.913 25.373 1.00 63.32 H new ATOM 455 N LEU A 30 0.488 25.808 21.239 1.00 51.33 N ATOM 456 CA LEU A 30 -0.548 25.130 20.468 1.00 54.12 C ATOM 457 C LEU A 30 -1.727 24.748 21.358 1.00 51.45 C ATOM 458 O LEU A 30 -1.973 23.568 21.605 1.00 34.44 O ATOM 459 CB LEU A 30 0.024 23.881 19.796 1.00 74.42 C ATOM 460 CG LEU A 30 -0.672 23.432 18.510 1.00 21.11 C ATOM 461 CD1 LEU A 30 0.197 23.735 17.299 1.00 1.14 C ATOM 462 CD2 LEU A 30 -1.003 21.948 18.573 1.00 53.11 C ATOM 0 H LEU A 30 0.622 26.789 20.994 1.00 51.33 H new ATOM 0 HA LEU A 30 -0.904 25.817 19.700 1.00 54.12 H new ATOM 0 HB2 LEU A 30 1.075 24.062 19.572 1.00 74.42 H new ATOM 0 HB3 LEU A 30 -0.012 23.059 20.511 1.00 74.42 H new ATOM 0 HG LEU A 30 -1.604 23.988 18.411 1.00 21.11 H new ATOM 0 HD11 LEU A 30 -0.314 23.409 16.393 1.00 1.14 H new ATOM 0 HD12 LEU A 30 0.383 24.808 17.244 1.00 1.14 H new ATOM 0 HD13 LEU A 30 1.146 23.206 17.390 1.00 1.14 H new ATOM 0 HD21 LEU A 30 -1.498 21.646 17.650 1.00 53.11 H new ATOM 0 HD22 LEU A 30 -0.084 21.375 18.696 1.00 53.11 H new ATOM 0 HD23 LEU A 30 -1.665 21.758 19.418 1.00 53.11 H new ATOM 474 N ILE A 31 -2.453 25.755 21.833 1.00 21.30 N ATOM 475 CA ILE A 31 -3.608 25.524 22.692 1.00 24.11 C ATOM 476 C ILE A 31 -4.642 26.633 22.533 1.00 43.22 C ATOM 477 O ILE A 31 -4.322 27.768 22.179 1.00 43.12 O ATOM 478 CB ILE A 31 -3.197 25.429 24.173 1.00 31.05 C ATOM 479 CG1 ILE A 31 -2.436 26.687 24.596 1.00 11.30 C ATOM 480 CG2 ILE A 31 -2.351 24.187 24.410 1.00 1.01 C ATOM 481 CD1 ILE A 31 -3.191 27.546 25.587 1.00 61.15 C ATOM 0 H ILE A 31 -2.262 26.738 21.638 1.00 21.30 H new ATOM 0 HA ILE A 31 -4.047 24.575 22.383 1.00 24.11 H new ATOM 0 HB ILE A 31 -4.099 25.352 24.780 1.00 31.05 H new ATOM 0 HG12 ILE A 31 -1.482 26.394 25.034 1.00 11.30 H new ATOM 0 HG13 ILE A 31 -2.211 27.281 23.710 1.00 11.30 H new ATOM 0 HG21 ILE A 31 -2.069 24.134 25.461 1.00 1.01 H new ATOM 0 HG22 ILE A 31 -2.925 23.300 24.144 1.00 1.01 H new ATOM 0 HG23 ILE A 31 -1.452 24.236 23.795 1.00 1.01 H new ATOM 0 HD11 ILE A 31 -2.591 28.420 25.842 1.00 61.15 H new ATOM 0 HD12 ILE A 31 -4.133 27.869 25.145 1.00 61.15 H new ATOM 0 HD13 ILE A 31 -3.393 26.969 26.489 1.00 61.15 H new ATOM 493 N PRO A 32 -5.913 26.300 22.802 1.00 41.03 N ATOM 494 CA PRO A 32 -7.020 27.255 22.698 1.00 74.25 C ATOM 495 C PRO A 32 -6.968 28.324 23.783 1.00 0.13 C ATOM 496 O PRO A 32 -7.246 28.050 24.950 1.00 11.22 O ATOM 497 CB PRO A 32 -8.263 26.377 22.871 1.00 44.32 C ATOM 498 CG PRO A 32 -7.790 25.202 23.654 1.00 23.40 C ATOM 499 CD PRO A 32 -6.367 24.966 23.229 1.00 62.13 C ATOM 0 HA PRO A 32 -6.997 27.805 21.757 1.00 74.25 H new ATOM 0 HB2 PRO A 32 -9.055 26.911 23.397 1.00 44.32 H new ATOM 0 HB3 PRO A 32 -8.670 26.072 21.907 1.00 44.32 H new ATOM 0 HG2 PRO A 32 -7.850 25.397 24.725 1.00 23.40 H new ATOM 0 HG3 PRO A 32 -8.407 24.326 23.454 1.00 23.40 H new ATOM 0 HD2 PRO A 32 -5.762 24.579 24.049 1.00 62.13 H new ATOM 0 HD3 PRO A 32 -6.305 24.241 22.417 1.00 62.13 H new ATOM 507 N GLU A 33 -6.610 29.543 23.391 1.00 71.24 N ATOM 508 CA GLU A 33 -6.521 30.653 24.332 1.00 34.31 C ATOM 509 C GLU A 33 -7.526 31.746 23.980 1.00 11.15 C ATOM 510 O GLU A 33 -8.558 31.890 24.637 1.00 60.31 O ATOM 511 CB GLU A 33 -5.105 31.231 24.342 1.00 64.54 C ATOM 512 CG GLU A 33 -4.298 30.846 25.571 1.00 75.23 C ATOM 513 CD GLU A 33 -3.941 32.042 26.432 1.00 63.34 C ATOM 514 OE1 GLU A 33 -2.774 32.129 26.869 1.00 32.15 O ATOM 515 OE2 GLU A 33 -4.826 32.890 26.668 1.00 72.24 O ATOM 0 H GLU A 33 -6.377 29.787 22.428 1.00 71.24 H new ATOM 0 HA GLU A 33 -6.757 30.273 25.326 1.00 34.31 H new ATOM 0 HB2 GLU A 33 -4.577 30.892 23.451 1.00 64.54 H new ATOM 0 HB3 GLU A 33 -5.165 32.318 24.283 1.00 64.54 H new ATOM 0 HG2 GLU A 33 -4.867 30.132 26.166 1.00 75.23 H new ATOM 0 HG3 GLU A 33 -3.383 30.343 25.258 1.00 75.23 H new ATOM 522 N ILE A 34 -7.216 32.514 22.941 1.00 12.14 N ATOM 523 CA ILE A 34 -8.091 33.594 22.502 1.00 34.32 C ATOM 524 C ILE A 34 -8.053 33.750 20.986 1.00 41.12 C ATOM 525 O ILE A 34 -9.062 33.563 20.307 1.00 45.12 O ATOM 526 CB ILE A 34 -7.704 34.934 23.155 1.00 22.42 C ATOM 527 CG1 ILE A 34 -7.819 34.836 24.678 1.00 41.12 C ATOM 528 CG2 ILE A 34 -8.582 36.056 22.623 1.00 73.11 C ATOM 529 CD1 ILE A 34 -9.238 34.649 25.166 1.00 75.34 C ATOM 0 H ILE A 34 -6.366 32.408 22.388 1.00 12.14 H new ATOM 0 HA ILE A 34 -9.101 33.327 22.812 1.00 34.32 H new ATOM 0 HB ILE A 34 -6.668 35.159 22.901 1.00 22.42 H new ATOM 0 HG12 ILE A 34 -7.210 34.002 25.027 1.00 41.12 H new ATOM 0 HG13 ILE A 34 -7.406 35.741 25.124 1.00 41.12 H new ATOM 0 HG21 ILE A 34 -8.296 36.996 23.094 1.00 73.11 H new ATOM 0 HG22 ILE A 34 -8.454 36.137 21.544 1.00 73.11 H new ATOM 0 HG23 ILE A 34 -9.626 35.840 22.849 1.00 73.11 H new ATOM 0 HD11 ILE A 34 -9.243 34.588 26.254 1.00 75.34 H new ATOM 0 HD12 ILE A 34 -9.847 35.495 24.847 1.00 75.34 H new ATOM 0 HD13 ILE A 34 -9.648 33.729 24.749 1.00 75.34 H new ATOM 541 N ASN A 35 -6.881 34.093 20.461 1.00 22.23 N ATOM 542 CA ASN A 35 -6.710 34.273 19.024 1.00 0.12 C ATOM 543 C ASN A 35 -5.536 33.447 18.508 1.00 22.11 C ATOM 544 O ASN A 35 -4.701 33.941 17.748 1.00 33.33 O ATOM 545 CB ASN A 35 -6.491 35.752 18.697 1.00 24.42 C ATOM 546 CG ASN A 35 -6.812 36.078 17.252 1.00 75.14 C ATOM 547 OD1 ASN A 35 -7.935 35.868 16.791 1.00 1.34 O ATOM 548 ND2 ASN A 35 -5.826 36.594 16.528 1.00 61.11 N ATOM 0 H ASN A 35 -6.036 34.252 21.009 1.00 22.23 H new ATOM 0 HA ASN A 35 -7.618 33.929 18.529 1.00 0.12 H new ATOM 0 HB2 ASN A 35 -7.114 36.362 19.351 1.00 24.42 H new ATOM 0 HB3 ASN A 35 -5.455 36.018 18.905 1.00 24.42 H new ATOM 0 HD21 ASN A 35 -5.983 36.833 15.549 1.00 61.11 H new ATOM 0 HD22 ASN A 35 -4.911 36.751 16.951 1.00 61.11 H new ATOM 555 N LEU A 36 -5.478 32.187 18.925 1.00 63.00 N ATOM 556 CA LEU A 36 -4.406 31.291 18.505 1.00 71.34 C ATOM 557 C LEU A 36 -4.939 30.200 17.582 1.00 75.43 C ATOM 558 O LEU A 36 -4.176 29.540 16.879 1.00 64.42 O ATOM 559 CB LEU A 36 -3.735 30.659 19.725 1.00 22.23 C ATOM 560 CG LEU A 36 -2.778 29.500 19.441 1.00 52.44 C ATOM 561 CD1 LEU A 36 -1.658 29.468 20.469 1.00 41.33 C ATOM 562 CD2 LEU A 36 -3.531 28.178 19.428 1.00 61.11 C ATOM 0 H LEU A 36 -6.160 31.763 19.553 1.00 63.00 H new ATOM 0 HA LEU A 36 -3.669 31.878 17.957 1.00 71.34 H new ATOM 0 HB2 LEU A 36 -3.185 31.436 20.255 1.00 22.23 H new ATOM 0 HB3 LEU A 36 -4.514 30.303 20.399 1.00 22.23 H new ATOM 0 HG LEU A 36 -2.335 29.653 18.457 1.00 52.44 H new ATOM 0 HD11 LEU A 36 -0.987 28.637 20.251 1.00 41.33 H new ATOM 0 HD12 LEU A 36 -1.101 30.404 20.429 1.00 41.33 H new ATOM 0 HD13 LEU A 36 -2.082 29.340 21.465 1.00 41.33 H new ATOM 0 HD21 LEU A 36 -2.835 27.365 19.224 1.00 61.11 H new ATOM 0 HD22 LEU A 36 -4.002 28.018 20.398 1.00 61.11 H new ATOM 0 HD23 LEU A 36 -4.296 28.203 18.652 1.00 61.11 H new ATOM 574 N ASN A 37 -6.256 30.018 17.588 1.00 30.42 N ATOM 575 CA ASN A 37 -6.892 29.008 16.750 1.00 31.41 C ATOM 576 C ASN A 37 -7.052 29.511 15.319 1.00 60.44 C ATOM 577 O ASN A 37 -7.210 28.722 14.387 1.00 64.14 O ATOM 578 CB ASN A 37 -8.258 28.625 17.324 1.00 40.42 C ATOM 579 CG ASN A 37 -8.157 28.051 18.724 1.00 41.41 C ATOM 580 OD1 ASN A 37 -7.128 27.492 19.105 1.00 53.52 O ATOM 581 ND2 ASN A 37 -9.228 28.187 19.497 1.00 3.15 N ATOM 0 H ASN A 37 -6.903 30.557 18.164 1.00 30.42 H new ATOM 0 HA ASN A 37 -6.251 28.126 16.737 1.00 31.41 H new ATOM 0 HB2 ASN A 37 -8.902 29.505 17.341 1.00 40.42 H new ATOM 0 HB3 ASN A 37 -8.733 27.895 16.668 1.00 40.42 H new ATOM 0 HD21 ASN A 37 -9.220 27.821 20.449 1.00 3.15 H new ATOM 0 HD22 ASN A 37 -10.059 28.658 19.139 1.00 3.15 H new ATOM 588 N ASP A 38 -7.010 30.828 15.152 1.00 23.13 N ATOM 589 CA ASP A 38 -7.148 31.437 13.834 1.00 31.15 C ATOM 590 C ASP A 38 -5.815 31.435 13.092 1.00 34.51 C ATOM 591 O ASP A 38 -5.730 30.988 11.947 1.00 13.43 O ATOM 592 CB ASP A 38 -7.672 32.868 13.963 1.00 1.20 C ATOM 593 CG ASP A 38 -7.501 33.664 12.684 1.00 3.43 C ATOM 594 OD1 ASP A 38 -6.689 34.614 12.680 1.00 14.14 O ATOM 595 OD2 ASP A 38 -8.177 33.337 11.687 1.00 12.32 O ATOM 0 H ASP A 38 -6.881 31.495 15.913 1.00 23.13 H new ATOM 0 HA ASP A 38 -7.863 30.847 13.261 1.00 31.15 H new ATOM 0 HB2 ASP A 38 -8.728 32.842 14.233 1.00 1.20 H new ATOM 0 HB3 ASP A 38 -7.147 33.372 14.774 1.00 1.20 H new ATOM 600 N THR A 39 -4.776 31.937 13.751 1.00 43.11 N ATOM 601 CA THR A 39 -3.448 31.995 13.153 1.00 2.23 C ATOM 602 C THR A 39 -2.976 30.610 12.727 1.00 62.14 C ATOM 603 O THR A 39 -2.519 30.419 11.599 1.00 33.53 O ATOM 604 CB THR A 39 -2.419 32.598 14.128 1.00 22.03 C ATOM 605 OG1 THR A 39 -3.088 33.367 15.133 1.00 15.33 O ATOM 606 CG2 THR A 39 -1.423 33.478 13.388 1.00 11.21 C ATOM 0 H THR A 39 -4.828 32.309 14.699 1.00 43.11 H new ATOM 0 HA THR A 39 -3.525 32.636 12.275 1.00 2.23 H new ATOM 0 HB THR A 39 -1.876 31.779 14.600 1.00 22.03 H new ATOM 0 HG1 THR A 39 -2.427 33.745 15.750 1.00 15.33 H new ATOM 0 HG21 THR A 39 -0.707 33.893 14.097 1.00 11.21 H new ATOM 0 HG22 THR A 39 -0.894 32.883 12.644 1.00 11.21 H new ATOM 0 HG23 THR A 39 -1.954 34.290 12.892 1.00 11.21 H new ATOM 614 N PHE A 40 -3.089 29.646 13.634 1.00 31.22 N ATOM 615 CA PHE A 40 -2.673 28.277 13.351 1.00 33.03 C ATOM 616 C PHE A 40 -3.450 27.706 12.169 1.00 74.22 C ATOM 617 O PHE A 40 -2.880 27.052 11.295 1.00 13.30 O ATOM 618 CB PHE A 40 -2.877 27.394 14.584 1.00 14.34 C ATOM 619 CG PHE A 40 -2.218 26.049 14.475 1.00 41.43 C ATOM 620 CD1 PHE A 40 -0.925 25.935 13.991 1.00 62.52 C ATOM 621 CD2 PHE A 40 -2.892 24.900 14.855 1.00 65.20 C ATOM 622 CE1 PHE A 40 -0.315 24.698 13.889 1.00 42.31 C ATOM 623 CE2 PHE A 40 -2.287 23.661 14.756 1.00 44.13 C ATOM 624 CZ PHE A 40 -0.997 23.560 14.271 1.00 52.10 C ATOM 0 H PHE A 40 -3.465 29.787 14.572 1.00 31.22 H new ATOM 0 HA PHE A 40 -1.614 28.292 13.094 1.00 33.03 H new ATOM 0 HB2 PHE A 40 -2.486 27.911 15.460 1.00 14.34 H new ATOM 0 HB3 PHE A 40 -3.945 27.254 14.748 1.00 14.34 H new ATOM 0 HD1 PHE A 40 -0.387 26.822 13.690 1.00 62.52 H new ATOM 0 HD2 PHE A 40 -3.901 24.973 15.233 1.00 65.20 H new ATOM 0 HE1 PHE A 40 0.694 24.622 13.511 1.00 42.31 H new ATOM 0 HE2 PHE A 40 -2.822 22.773 15.057 1.00 44.13 H new ATOM 0 HZ PHE A 40 -0.523 22.593 14.191 1.00 52.10 H new ATOM 634 N ASP A 41 -4.755 27.957 12.149 1.00 23.03 N ATOM 635 CA ASP A 41 -5.611 27.469 11.075 1.00 73.13 C ATOM 636 C ASP A 41 -5.121 27.968 9.719 1.00 5.13 C ATOM 637 O ASP A 41 -4.769 27.177 8.844 1.00 60.25 O ATOM 638 CB ASP A 41 -7.056 27.914 11.303 1.00 15.24 C ATOM 639 CG ASP A 41 -7.966 26.760 11.675 1.00 72.45 C ATOM 640 OD1 ASP A 41 -7.983 26.375 12.863 1.00 63.02 O ATOM 641 OD2 ASP A 41 -8.662 26.241 10.777 1.00 54.20 O ATOM 0 H ASP A 41 -5.243 28.496 12.865 1.00 23.03 H new ATOM 0 HA ASP A 41 -5.569 26.380 11.078 1.00 73.13 H new ATOM 0 HB2 ASP A 41 -7.082 28.663 12.095 1.00 15.24 H new ATOM 0 HB3 ASP A 41 -7.432 28.393 10.399 1.00 15.24 H new ATOM 646 N THR A 42 -5.100 29.287 9.552 1.00 71.11 N ATOM 647 CA THR A 42 -4.655 29.892 8.303 1.00 10.00 C ATOM 648 C THR A 42 -3.230 29.470 7.965 1.00 3.30 C ATOM 649 O THR A 42 -2.836 29.454 6.798 1.00 15.14 O ATOM 650 CB THR A 42 -4.721 31.430 8.369 1.00 75.52 C ATOM 651 OG1 THR A 42 -5.071 31.960 7.086 1.00 51.15 O ATOM 652 CG2 THR A 42 -3.389 32.010 8.817 1.00 2.13 C ATOM 0 H THR A 42 -5.386 29.956 10.266 1.00 71.11 H new ATOM 0 HA THR A 42 -5.330 29.540 7.523 1.00 10.00 H new ATOM 0 HB THR A 42 -5.483 31.708 9.097 1.00 75.52 H new ATOM 0 HG1 THR A 42 -5.112 32.938 7.136 1.00 51.15 H new ATOM 0 HG21 THR A 42 -3.460 33.097 8.856 1.00 2.13 H new ATOM 0 HG22 THR A 42 -3.140 31.627 9.807 1.00 2.13 H new ATOM 0 HG23 THR A 42 -2.611 31.722 8.110 1.00 2.13 H new ATOM 660 N PHE A 43 -2.459 29.129 8.993 1.00 72.25 N ATOM 661 CA PHE A 43 -1.076 28.707 8.804 1.00 71.21 C ATOM 662 C PHE A 43 -1.012 27.303 8.210 1.00 31.41 C ATOM 663 O PHE A 43 -0.477 27.102 7.120 1.00 31.13 O ATOM 664 CB PHE A 43 -0.323 28.745 10.135 1.00 31.54 C ATOM 665 CG PHE A 43 1.156 28.528 9.994 1.00 64.24 C ATOM 666 CD1 PHE A 43 1.845 27.739 10.901 1.00 35.21 C ATOM 667 CD2 PHE A 43 1.859 29.114 8.953 1.00 61.51 C ATOM 668 CE1 PHE A 43 3.206 27.537 10.773 1.00 30.04 C ATOM 669 CE2 PHE A 43 3.220 28.915 8.820 1.00 64.02 C ATOM 670 CZ PHE A 43 3.895 28.127 9.732 1.00 71.22 C ATOM 0 H PHE A 43 -2.769 29.137 9.965 1.00 72.25 H new ATOM 0 HA PHE A 43 -0.603 29.399 8.107 1.00 71.21 H new ATOM 0 HB2 PHE A 43 -0.497 29.709 10.614 1.00 31.54 H new ATOM 0 HB3 PHE A 43 -0.733 27.982 10.797 1.00 31.54 H new ATOM 0 HD1 PHE A 43 1.312 27.276 11.718 1.00 35.21 H new ATOM 0 HD2 PHE A 43 1.337 29.733 8.238 1.00 61.51 H new ATOM 0 HE1 PHE A 43 3.730 26.918 11.486 1.00 30.04 H new ATOM 0 HE2 PHE A 43 3.756 29.375 8.003 1.00 64.02 H new ATOM 0 HZ PHE A 43 4.959 27.973 9.631 1.00 71.22 H new ATOM 680 N ALA A 44 -1.561 26.334 8.936 1.00 53.21 N ATOM 681 CA ALA A 44 -1.568 24.949 8.481 1.00 13.34 C ATOM 682 C ALA A 44 -2.238 24.823 7.117 1.00 23.41 C ATOM 683 O ALA A 44 -1.712 24.170 6.214 1.00 33.45 O ATOM 684 CB ALA A 44 -2.270 24.063 9.500 1.00 42.10 C ATOM 0 H ALA A 44 -2.006 26.483 9.841 1.00 53.21 H new ATOM 0 HA ALA A 44 -0.534 24.620 8.380 1.00 13.34 H new ATOM 0 HB1 ALA A 44 -2.268 23.031 9.148 1.00 42.10 H new ATOM 0 HB2 ALA A 44 -1.747 24.121 10.455 1.00 42.10 H new ATOM 0 HB3 ALA A 44 -3.298 24.401 9.629 1.00 42.10 H new ATOM 690 N LEU A 45 -3.400 25.450 6.973 1.00 22.12 N ATOM 691 CA LEU A 45 -4.142 25.407 5.718 1.00 32.11 C ATOM 692 C LEU A 45 -3.219 25.659 4.530 1.00 10.45 C ATOM 693 O LEU A 45 -3.083 24.814 3.646 1.00 75.20 O ATOM 694 CB LEU A 45 -5.268 26.442 5.733 1.00 41.42 C ATOM 695 CG LEU A 45 -5.688 26.997 4.371 1.00 4.11 C ATOM 696 CD1 LEU A 45 -6.061 25.866 3.426 1.00 71.40 C ATOM 697 CD2 LEU A 45 -6.847 27.970 4.526 1.00 75.11 C ATOM 0 H LEU A 45 -3.849 25.994 7.710 1.00 22.12 H new ATOM 0 HA LEU A 45 -4.573 24.411 5.614 1.00 32.11 H new ATOM 0 HB2 LEU A 45 -6.142 25.992 6.205 1.00 41.42 H new ATOM 0 HB3 LEU A 45 -4.959 27.276 6.363 1.00 41.42 H new ATOM 0 HG LEU A 45 -4.843 27.536 3.943 1.00 4.11 H new ATOM 0 HD11 LEU A 45 -6.357 26.280 2.462 1.00 71.40 H new ATOM 0 HD12 LEU A 45 -5.203 25.208 3.290 1.00 71.40 H new ATOM 0 HD13 LEU A 45 -6.891 25.298 3.847 1.00 71.40 H new ATOM 0 HD21 LEU A 45 -7.132 28.355 3.547 1.00 75.11 H new ATOM 0 HD22 LEU A 45 -7.696 27.456 4.975 1.00 75.11 H new ATOM 0 HD23 LEU A 45 -6.544 28.798 5.167 1.00 75.11 H new ATOM 709 N ASP A 46 -2.585 26.827 4.519 1.00 60.35 N ATOM 710 CA ASP A 46 -1.671 27.190 3.441 1.00 34.43 C ATOM 711 C ASP A 46 -0.680 26.063 3.167 1.00 73.14 C ATOM 712 O ASP A 46 -0.488 25.657 2.020 1.00 2.13 O ATOM 713 CB ASP A 46 -0.918 28.473 3.793 1.00 13.43 C ATOM 714 CG ASP A 46 -0.816 29.426 2.618 1.00 75.41 C ATOM 715 OD1 ASP A 46 -1.640 30.362 2.539 1.00 23.31 O ATOM 716 OD2 ASP A 46 0.087 29.235 1.777 1.00 10.34 O ATOM 0 H ASP A 46 -2.687 27.538 5.243 1.00 60.35 H new ATOM 0 HA ASP A 46 -2.260 27.359 2.540 1.00 34.43 H new ATOM 0 HB2 ASP A 46 -1.424 28.973 4.619 1.00 13.43 H new ATOM 0 HB3 ASP A 46 0.084 28.219 4.139 1.00 13.43 H new ATOM 721 N PHE A 47 -0.053 25.562 4.226 1.00 40.22 N ATOM 722 CA PHE A 47 0.920 24.484 4.099 1.00 62.32 C ATOM 723 C PHE A 47 0.295 23.263 3.430 1.00 41.15 C ATOM 724 O PHE A 47 0.779 22.789 2.402 1.00 42.44 O ATOM 725 CB PHE A 47 1.470 24.100 5.474 1.00 30.41 C ATOM 726 CG PHE A 47 2.868 24.591 5.720 1.00 52.25 C ATOM 727 CD1 PHE A 47 3.890 24.284 4.836 1.00 32.50 C ATOM 728 CD2 PHE A 47 3.160 25.361 6.834 1.00 30.32 C ATOM 729 CE1 PHE A 47 5.177 24.735 5.059 1.00 62.43 C ATOM 730 CE2 PHE A 47 4.445 25.815 7.062 1.00 62.02 C ATOM 731 CZ PHE A 47 5.455 25.501 6.174 1.00 63.53 C ATOM 0 H PHE A 47 -0.202 25.886 5.182 1.00 40.22 H new ATOM 0 HA PHE A 47 1.739 24.840 3.474 1.00 62.32 H new ATOM 0 HB2 PHE A 47 0.812 24.501 6.245 1.00 30.41 H new ATOM 0 HB3 PHE A 47 1.452 23.015 5.573 1.00 30.41 H new ATOM 0 HD1 PHE A 47 3.678 23.685 3.962 1.00 32.50 H new ATOM 0 HD2 PHE A 47 2.374 25.609 7.532 1.00 30.32 H new ATOM 0 HE1 PHE A 47 5.965 24.489 4.362 1.00 62.43 H new ATOM 0 HE2 PHE A 47 4.659 26.415 7.934 1.00 62.02 H new ATOM 0 HZ PHE A 47 6.460 25.854 6.351 1.00 63.53 H new ATOM 741 N SER A 48 -0.783 22.759 4.021 1.00 72.22 N ATOM 742 CA SER A 48 -1.473 21.591 3.485 1.00 22.24 C ATOM 743 C SER A 48 -1.797 21.782 2.007 1.00 65.43 C ATOM 744 O SER A 48 -1.602 20.876 1.196 1.00 54.04 O ATOM 745 CB SER A 48 -2.759 21.327 4.271 1.00 41.02 C ATOM 746 OG SER A 48 -2.963 19.938 4.463 1.00 11.02 O ATOM 0 H SER A 48 -1.198 23.141 4.871 1.00 72.22 H new ATOM 0 HA SER A 48 -0.811 20.731 3.585 1.00 22.24 H new ATOM 0 HB2 SER A 48 -2.707 21.827 5.238 1.00 41.02 H new ATOM 0 HB3 SER A 48 -3.609 21.752 3.737 1.00 41.02 H new ATOM 0 HG SER A 48 -3.790 19.796 4.969 1.00 11.02 H new ATOM 752 N ARG A 49 -2.291 22.967 1.664 1.00 73.50 N ATOM 753 CA ARG A 49 -2.644 23.277 0.284 1.00 43.12 C ATOM 754 C ARG A 49 -1.533 22.848 -0.671 1.00 33.34 C ATOM 755 O ARG A 49 -1.794 22.236 -1.706 1.00 33.02 O ATOM 756 CB ARG A 49 -2.913 24.775 0.129 1.00 73.15 C ATOM 757 CG ARG A 49 -3.873 25.107 -1.002 1.00 74.11 C ATOM 758 CD ARG A 49 -3.340 26.233 -1.873 1.00 44.15 C ATOM 759 NE ARG A 49 -4.415 27.034 -2.452 1.00 10.43 N ATOM 760 CZ ARG A 49 -4.243 28.264 -2.923 1.00 51.40 C ATOM 761 NH1 ARG A 49 -3.045 28.831 -2.885 1.00 50.02 N ATOM 762 NH2 ARG A 49 -5.271 28.930 -3.434 1.00 41.01 N ATOM 0 H ARG A 49 -2.456 23.728 2.323 1.00 73.50 H new ATOM 0 HA ARG A 49 -3.549 22.724 0.034 1.00 43.12 H new ATOM 0 HB2 ARG A 49 -3.319 25.161 1.064 1.00 73.15 H new ATOM 0 HB3 ARG A 49 -1.968 25.289 -0.045 1.00 73.15 H new ATOM 0 HG2 ARG A 49 -4.038 24.220 -1.613 1.00 74.11 H new ATOM 0 HG3 ARG A 49 -4.840 25.393 -0.588 1.00 74.11 H new ATOM 0 HD2 ARG A 49 -2.690 26.875 -1.278 1.00 44.15 H new ATOM 0 HD3 ARG A 49 -2.729 25.814 -2.673 1.00 44.15 H new ATOM 0 HE ARG A 49 -5.349 26.627 -2.497 1.00 10.43 H new ATOM 0 HH11 ARG A 49 -2.252 28.322 -2.493 1.00 50.02 H new ATOM 0 HH12 ARG A 49 -2.916 29.776 -3.248 1.00 50.02 H new ATOM 0 HH21 ARG A 49 -6.194 28.497 -3.465 1.00 41.01 H new ATOM 0 HH22 ARG A 49 -5.138 29.874 -3.795 1.00 41.01 H new ATOM 776 N GLU A 50 -0.295 23.173 -0.314 1.00 44.31 N ATOM 777 CA GLU A 50 0.855 22.822 -1.140 1.00 54.11 C ATOM 778 C GLU A 50 1.124 21.321 -1.087 1.00 41.04 C ATOM 779 O GLU A 50 1.547 20.719 -2.075 1.00 15.11 O ATOM 780 CB GLU A 50 2.095 23.591 -0.680 1.00 62.41 C ATOM 781 CG GLU A 50 2.653 24.533 -1.734 1.00 32.14 C ATOM 782 CD GLU A 50 4.120 24.281 -2.024 1.00 13.44 C ATOM 783 OE1 GLU A 50 4.415 23.485 -2.940 1.00 13.34 O ATOM 784 OE2 GLU A 50 4.972 24.880 -1.335 1.00 63.21 O ATOM 0 H GLU A 50 -0.062 23.678 0.541 1.00 44.31 H new ATOM 0 HA GLU A 50 0.628 23.097 -2.170 1.00 54.11 H new ATOM 0 HB2 GLU A 50 1.846 24.165 0.213 1.00 62.41 H new ATOM 0 HB3 GLU A 50 2.869 22.878 -0.395 1.00 62.41 H new ATOM 0 HG2 GLU A 50 2.080 24.422 -2.655 1.00 32.14 H new ATOM 0 HG3 GLU A 50 2.524 25.563 -1.400 1.00 32.14 H new ATOM 791 N LYS A 51 0.877 20.722 0.073 1.00 42.03 N ATOM 792 CA LYS A 51 1.092 19.292 0.257 1.00 73.44 C ATOM 793 C LYS A 51 0.188 18.483 -0.668 1.00 35.42 C ATOM 794 O LYS A 51 0.643 17.566 -1.353 1.00 14.15 O ATOM 795 CB LYS A 51 0.832 18.899 1.713 1.00 42.21 C ATOM 796 CG LYS A 51 0.175 17.539 1.868 1.00 22.44 C ATOM 797 CD LYS A 51 -1.310 17.667 2.162 1.00 30.23 C ATOM 798 CE LYS A 51 -2.075 16.430 1.716 1.00 12.34 C ATOM 799 NZ LYS A 51 -1.464 15.179 2.245 1.00 14.31 N ATOM 0 H LYS A 51 0.527 21.205 0.900 1.00 42.03 H new ATOM 0 HA LYS A 51 2.130 19.071 0.007 1.00 73.44 H new ATOM 0 HB2 LYS A 51 1.778 18.900 2.255 1.00 42.21 H new ATOM 0 HB3 LYS A 51 0.198 19.654 2.177 1.00 42.21 H new ATOM 0 HG2 LYS A 51 0.318 16.959 0.956 1.00 22.44 H new ATOM 0 HG3 LYS A 51 0.660 16.989 2.674 1.00 22.44 H new ATOM 0 HD2 LYS A 51 -1.458 17.822 3.231 1.00 30.23 H new ATOM 0 HD3 LYS A 51 -1.708 18.545 1.654 1.00 30.23 H new ATOM 0 HE2 LYS A 51 -3.109 16.501 2.055 1.00 12.34 H new ATOM 0 HE3 LYS A 51 -2.098 16.390 0.627 1.00 12.34 H new ATOM 0 HZ1 LYS A 51 -2.117 14.383 2.095 1.00 14.31 H new ATOM 0 HZ2 LYS A 51 -0.570 14.992 1.748 1.00 14.31 H new ATOM 0 HZ3 LYS A 51 -1.278 15.287 3.263 1.00 14.31 H new ATOM 813 N LYS A 52 -1.095 18.828 -0.684 1.00 34.11 N ATOM 814 CA LYS A 52 -2.064 18.136 -1.526 1.00 41.22 C ATOM 815 C LYS A 52 -1.647 18.190 -2.992 1.00 44.34 C ATOM 816 O LYS A 52 -1.531 17.158 -3.654 1.00 25.31 O ATOM 817 CB LYS A 52 -3.453 18.756 -1.357 1.00 43.51 C ATOM 818 CG LYS A 52 -4.492 18.188 -2.307 1.00 54.45 C ATOM 819 CD LYS A 52 -4.821 16.742 -1.975 1.00 44.44 C ATOM 820 CE LYS A 52 -6.070 16.273 -2.705 1.00 63.40 C ATOM 821 NZ LYS A 52 -6.646 15.048 -2.085 1.00 74.52 N ATOM 0 H LYS A 52 -1.488 19.583 -0.123 1.00 34.11 H new ATOM 0 HA LYS A 52 -2.099 17.092 -1.214 1.00 41.22 H new ATOM 0 HB2 LYS A 52 -3.788 18.602 -0.331 1.00 43.51 H new ATOM 0 HB3 LYS A 52 -3.382 19.833 -1.511 1.00 43.51 H new ATOM 0 HG2 LYS A 52 -5.400 18.789 -2.256 1.00 54.45 H new ATOM 0 HG3 LYS A 52 -4.124 18.252 -3.331 1.00 54.45 H new ATOM 0 HD2 LYS A 52 -3.979 16.105 -2.246 1.00 44.44 H new ATOM 0 HD3 LYS A 52 -4.966 16.638 -0.900 1.00 44.44 H new ATOM 0 HE2 LYS A 52 -6.815 17.068 -2.698 1.00 63.40 H new ATOM 0 HE3 LYS A 52 -5.827 16.072 -3.749 1.00 63.40 H new ATOM 0 HZ1 LYS A 52 -7.496 14.760 -2.611 1.00 74.52 H new ATOM 0 HZ2 LYS A 52 -5.944 14.281 -2.114 1.00 74.52 H new ATOM 0 HZ3 LYS A 52 -6.901 15.246 -1.097 1.00 74.52 H new ATOM 835 N LEU A 53 -1.421 19.399 -3.494 1.00 42.42 N ATOM 836 CA LEU A 53 -1.014 19.588 -4.882 1.00 73.15 C ATOM 837 C LEU A 53 0.200 18.728 -5.216 1.00 23.41 C ATOM 838 O LEU A 53 0.405 18.343 -6.368 1.00 34.30 O ATOM 839 CB LEU A 53 -0.698 21.061 -5.146 1.00 51.13 C ATOM 840 CG LEU A 53 -1.061 21.587 -6.536 1.00 1.15 C ATOM 841 CD1 LEU A 53 -2.229 22.558 -6.451 1.00 23.44 C ATOM 842 CD2 LEU A 53 0.143 22.254 -7.185 1.00 1.05 C ATOM 0 H LEU A 53 -1.513 20.263 -2.960 1.00 42.42 H new ATOM 0 HA LEU A 53 -1.841 19.280 -5.522 1.00 73.15 H new ATOM 0 HB2 LEU A 53 -1.222 21.663 -4.403 1.00 51.13 H new ATOM 0 HB3 LEU A 53 0.369 21.217 -4.988 1.00 51.13 H new ATOM 0 HG LEU A 53 -1.361 20.742 -7.156 1.00 1.15 H new ATOM 0 HD11 LEU A 53 -2.473 22.922 -7.449 1.00 23.44 H new ATOM 0 HD12 LEU A 53 -3.095 22.049 -6.028 1.00 23.44 H new ATOM 0 HD13 LEU A 53 -1.957 23.400 -5.815 1.00 23.44 H new ATOM 0 HD21 LEU A 53 -0.134 22.622 -8.173 1.00 1.05 H new ATOM 0 HD22 LEU A 53 0.474 23.088 -6.567 1.00 1.05 H new ATOM 0 HD23 LEU A 53 0.952 21.530 -7.281 1.00 1.05 H new ATOM 854 N LEU A 54 1.003 18.428 -4.201 1.00 32.44 N ATOM 855 CA LEU A 54 2.197 17.610 -4.385 1.00 11.21 C ATOM 856 C LEU A 54 1.825 16.156 -4.657 1.00 52.21 C ATOM 857 O LEU A 54 2.169 15.603 -5.701 1.00 21.12 O ATOM 858 CB LEU A 54 3.094 17.696 -3.149 1.00 14.14 C ATOM 859 CG LEU A 54 4.574 17.386 -3.370 1.00 63.44 C ATOM 860 CD1 LEU A 54 5.387 17.751 -2.138 1.00 32.32 C ATOM 861 CD2 LEU A 54 4.765 15.917 -3.721 1.00 55.11 C ATOM 0 H LEU A 54 0.849 18.739 -3.242 1.00 32.44 H new ATOM 0 HA LEU A 54 2.740 17.994 -5.248 1.00 11.21 H new ATOM 0 HB2 LEU A 54 3.012 18.701 -2.735 1.00 14.14 H new ATOM 0 HB3 LEU A 54 2.708 17.008 -2.396 1.00 14.14 H new ATOM 0 HG LEU A 54 4.930 17.988 -4.206 1.00 63.44 H new ATOM 0 HD11 LEU A 54 6.438 17.523 -2.315 1.00 32.32 H new ATOM 0 HD12 LEU A 54 5.276 18.816 -1.931 1.00 32.32 H new ATOM 0 HD13 LEU A 54 5.030 17.177 -1.283 1.00 32.32 H new ATOM 0 HD21 LEU A 54 5.825 15.715 -3.875 1.00 55.11 H new ATOM 0 HD22 LEU A 54 4.392 15.297 -2.906 1.00 55.11 H new ATOM 0 HD23 LEU A 54 4.215 15.687 -4.634 1.00 55.11 H new ATOM 873 N GLU A 55 1.118 15.545 -3.712 1.00 30.42 N ATOM 874 CA GLU A 55 0.698 14.155 -3.851 1.00 41.14 C ATOM 875 C GLU A 55 -0.257 13.991 -5.030 1.00 51.21 C ATOM 876 O GLU A 55 -0.030 13.167 -5.917 1.00 33.14 O ATOM 877 CB GLU A 55 0.026 13.670 -2.565 1.00 42.40 C ATOM 878 CG GLU A 55 0.292 12.207 -2.254 1.00 13.13 C ATOM 879 CD GLU A 55 -0.890 11.317 -2.584 1.00 34.41 C ATOM 880 OE1 GLU A 55 -0.986 10.864 -3.744 1.00 44.00 O ATOM 881 OE2 GLU A 55 -1.720 11.073 -1.683 1.00 60.41 O ATOM 0 H GLU A 55 0.824 15.990 -2.842 1.00 30.42 H new ATOM 0 HA GLU A 55 1.586 13.551 -4.038 1.00 41.14 H new ATOM 0 HB2 GLU A 55 0.374 14.279 -1.731 1.00 42.40 H new ATOM 0 HB3 GLU A 55 -1.050 13.826 -2.646 1.00 42.40 H new ATOM 0 HG2 GLU A 55 1.163 11.872 -2.817 1.00 13.13 H new ATOM 0 HG3 GLU A 55 0.537 12.103 -1.197 1.00 13.13 H new