USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 640 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 2 THR OG1 : rot 25:sc= 0.549 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 138:sc= -0.0994 (180deg=-0.53) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.825 X(o=-1,f=-1) USER MOD Set 2.2: A 39 LYS NZ :NH3+ -179:sc= -0.202 (180deg=-0.198) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00725) USER MOD Single : A 15 MET CE :methyl 148:sc= -0.083 (180deg=-0.488) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.127 K(o=-0.13,f=-0.99) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A 48 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.56) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.55) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0479) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.521 USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= -0.0467 (180deg=-0.337) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.11) USER MOD Single : A 86 ASN : amide:sc= -3.34 X(o=-3.3,f=-3.5) USER MOD Single : A 87 ASN : amide:sc= -0.565 K(o=-0.56,f=-4.6!) USER MOD Single : A 89 LYS NZ :NH3+ 159:sc= -0.0629 (180deg=-0.42) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 4.445 -1.131 -1.993 1.00 42.12 N ATOM 19 CA THR A 2 5.770 -1.737 -1.969 1.00 23.21 C ATOM 20 C THR A 2 6.853 -0.684 -1.763 1.00 30.14 C ATOM 21 O THR A 2 8.045 -0.980 -1.849 1.00 72.42 O ATOM 22 CB THR A 2 6.060 -2.507 -3.271 1.00 50.45 C ATOM 23 OG1 THR A 2 4.842 -3.028 -3.814 1.00 33.34 O ATOM 24 CG2 THR A 2 7.038 -3.645 -3.022 1.00 1.44 C ATOM 0 HA THR A 2 5.782 -2.435 -1.132 1.00 23.21 H new ATOM 0 HB THR A 2 6.508 -1.814 -3.984 1.00 50.45 H new ATOM 0 HG1 THR A 2 4.088 -2.482 -3.509 1.00 33.34 H new ATOM 0 HG21 THR A 2 7.227 -4.174 -3.956 1.00 1.44 H new ATOM 0 HG22 THR A 2 7.975 -3.242 -2.637 1.00 1.44 H new ATOM 0 HG23 THR A 2 6.614 -4.336 -2.293 1.00 1.44 H new ATOM 32 N ARG A 3 6.431 0.546 -1.489 1.00 30.04 N ATOM 33 CA ARG A 3 7.366 1.643 -1.270 1.00 54.43 C ATOM 34 C ARG A 3 7.976 1.568 0.126 1.00 65.31 C ATOM 35 O ARG A 3 7.262 1.452 1.122 1.00 72.24 O ATOM 36 CB ARG A 3 6.660 2.988 -1.458 1.00 34.45 C ATOM 37 CG ARG A 3 5.781 3.047 -2.696 1.00 71.33 C ATOM 38 CD ARG A 3 6.600 2.890 -3.968 1.00 53.41 C ATOM 39 NE ARG A 3 7.522 4.006 -4.166 1.00 73.40 N ATOM 40 CZ ARG A 3 7.156 5.182 -4.663 1.00 62.12 C ATOM 41 NH1 ARG A 3 5.895 5.395 -5.011 1.00 13.43 N ATOM 42 NH2 ARG A 3 8.054 6.148 -4.813 1.00 75.23 N ATOM 0 H ARG A 3 5.448 0.808 -1.413 1.00 30.04 H new ATOM 0 HA ARG A 3 8.168 1.555 -2.003 1.00 54.43 H new ATOM 0 HB2 ARG A 3 6.049 3.194 -0.579 1.00 34.45 H new ATOM 0 HB3 ARG A 3 7.410 3.777 -1.517 1.00 34.45 H new ATOM 0 HG2 ARG A 3 5.028 2.260 -2.647 1.00 71.33 H new ATOM 0 HG3 ARG A 3 5.248 3.997 -2.720 1.00 71.33 H new ATOM 0 HD2 ARG A 3 7.163 1.958 -3.924 1.00 53.41 H new ATOM 0 HD3 ARG A 3 5.930 2.817 -4.824 1.00 53.41 H new ATOM 0 HE ARG A 3 8.500 3.875 -3.908 1.00 73.40 H new ATOM 0 HH11 ARG A 3 5.203 4.655 -4.897 1.00 13.43 H new ATOM 0 HH12 ARG A 3 5.617 6.299 -5.392 1.00 13.43 H new ATOM 0 HH21 ARG A 3 9.025 5.987 -4.547 1.00 75.23 H new ATOM 0 HH22 ARG A 3 7.773 7.051 -5.195 1.00 75.23 H new ATOM 56 N ASP A 4 9.302 1.633 0.190 1.00 13.34 N ATOM 57 CA ASP A 4 10.009 1.573 1.464 1.00 21.22 C ATOM 58 C ASP A 4 9.660 2.774 2.337 1.00 3.21 C ATOM 59 O ASP A 4 9.407 3.869 1.833 1.00 65.41 O ATOM 60 CB ASP A 4 11.520 1.518 1.231 1.00 73.42 C ATOM 61 CG ASP A 4 12.115 2.886 0.966 1.00 50.42 C ATOM 62 OD1 ASP A 4 11.698 3.535 -0.016 1.00 54.35 O ATOM 63 OD2 ASP A 4 12.998 3.309 1.741 1.00 14.32 O ATOM 0 H ASP A 4 9.908 1.727 -0.625 1.00 13.34 H new ATOM 0 HA ASP A 4 9.696 0.667 1.983 1.00 21.22 H new ATOM 0 HB2 ASP A 4 12.003 1.078 2.103 1.00 73.42 H new ATOM 0 HB3 ASP A 4 11.731 0.863 0.385 1.00 73.42 H new ATOM 68 N PHE A 5 9.648 2.562 3.649 1.00 54.20 N ATOM 69 CA PHE A 5 9.328 3.627 4.592 1.00 14.14 C ATOM 70 C PHE A 5 10.599 4.263 5.147 1.00 62.40 C ATOM 71 O PHE A 5 11.710 3.844 4.820 1.00 20.14 O ATOM 72 CB PHE A 5 8.474 3.082 5.740 1.00 64.25 C ATOM 73 CG PHE A 5 6.997 3.178 5.486 1.00 61.41 C ATOM 74 CD1 PHE A 5 6.311 4.353 5.745 1.00 43.44 C ATOM 75 CD2 PHE A 5 6.294 2.092 4.988 1.00 4.12 C ATOM 76 CE1 PHE A 5 4.952 4.444 5.513 1.00 72.22 C ATOM 77 CE2 PHE A 5 4.935 2.177 4.754 1.00 32.20 C ATOM 78 CZ PHE A 5 4.263 3.355 5.016 1.00 71.33 C ATOM 0 H PHE A 5 9.856 1.663 4.083 1.00 54.20 H new ATOM 0 HA PHE A 5 8.763 4.392 4.059 1.00 14.14 H new ATOM 0 HB2 PHE A 5 8.737 2.039 5.915 1.00 64.25 H new ATOM 0 HB3 PHE A 5 8.714 3.629 6.652 1.00 64.25 H new ATOM 0 HD1 PHE A 5 6.845 5.208 6.133 1.00 43.44 H new ATOM 0 HD2 PHE A 5 6.815 1.169 4.781 1.00 4.12 H new ATOM 0 HE1 PHE A 5 4.429 5.366 5.720 1.00 72.22 H new ATOM 0 HE2 PHE A 5 4.399 1.323 4.367 1.00 32.20 H new ATOM 0 HZ PHE A 5 3.201 3.424 4.833 1.00 71.33 H new ATOM 88 N LYS A 6 10.428 5.277 5.988 1.00 42.23 N ATOM 89 CA LYS A 6 11.560 5.972 6.590 1.00 60.15 C ATOM 90 C LYS A 6 11.691 5.620 8.068 1.00 72.01 C ATOM 91 O LYS A 6 10.749 5.144 8.703 1.00 5.52 O ATOM 92 CB LYS A 6 11.401 7.485 6.427 1.00 41.32 C ATOM 93 CG LYS A 6 12.010 8.026 5.145 1.00 52.43 C ATOM 94 CD LYS A 6 11.907 9.541 5.075 1.00 62.24 C ATOM 95 CE LYS A 6 12.698 10.099 3.901 1.00 11.34 C ATOM 96 NZ LYS A 6 11.919 10.049 2.633 1.00 31.42 N ATOM 0 H LYS A 6 9.516 5.636 6.269 1.00 42.23 H new ATOM 0 HA LYS A 6 12.466 5.651 6.077 1.00 60.15 H new ATOM 0 HB2 LYS A 6 10.340 7.735 6.449 1.00 41.32 H new ATOM 0 HB3 LYS A 6 11.864 7.984 7.278 1.00 41.32 H new ATOM 0 HG2 LYS A 6 13.057 7.728 5.084 1.00 52.43 H new ATOM 0 HG3 LYS A 6 11.503 7.586 4.286 1.00 52.43 H new ATOM 0 HD2 LYS A 6 10.861 9.832 4.981 1.00 62.24 H new ATOM 0 HD3 LYS A 6 12.277 9.975 6.004 1.00 62.24 H new ATOM 0 HE2 LYS A 6 12.982 11.130 4.112 1.00 11.34 H new ATOM 0 HE3 LYS A 6 13.621 9.532 3.783 1.00 11.34 H new ATOM 0 HZ1 LYS A 6 12.493 10.438 1.858 1.00 31.42 H new ATOM 0 HZ2 LYS A 6 11.669 9.063 2.418 1.00 31.42 H new ATOM 0 HZ3 LYS A 6 11.050 10.611 2.737 1.00 31.42 H new ATOM 110 N PRO A 7 12.885 5.859 8.631 1.00 54.42 N ATOM 111 CA PRO A 7 13.166 5.577 10.041 1.00 35.25 C ATOM 112 C PRO A 7 12.424 6.521 10.981 1.00 55.31 C ATOM 113 O PRO A 7 12.641 7.732 10.958 1.00 33.05 O ATOM 114 CB PRO A 7 14.677 5.791 10.152 1.00 42.11 C ATOM 115 CG PRO A 7 15.007 6.740 9.052 1.00 74.14 C ATOM 116 CD PRO A 7 14.052 6.425 7.933 1.00 33.15 C ATOM 0 HA PRO A 7 12.841 4.577 10.328 1.00 35.25 H new ATOM 0 HB2 PRO A 7 14.948 6.202 11.124 1.00 42.11 H new ATOM 0 HB3 PRO A 7 15.219 4.852 10.041 1.00 42.11 H new ATOM 0 HG2 PRO A 7 14.895 7.773 9.381 1.00 74.14 H new ATOM 0 HG3 PRO A 7 16.041 6.618 8.729 1.00 74.14 H new ATOM 0 HD2 PRO A 7 13.788 7.318 7.367 1.00 33.15 H new ATOM 0 HD3 PRO A 7 14.481 5.715 7.226 1.00 33.15 H new ATOM 124 N GLY A 8 11.546 5.959 11.807 1.00 63.11 N ATOM 125 CA GLY A 8 10.786 6.766 12.743 1.00 51.11 C ATOM 126 C GLY A 8 9.440 7.186 12.186 1.00 2.51 C ATOM 127 O GLY A 8 8.918 8.244 12.538 1.00 1.41 O ATOM 0 H GLY A 8 11.348 4.959 11.844 1.00 63.11 H new ATOM 0 HA2 GLY A 8 10.635 6.203 13.664 1.00 51.11 H new ATOM 0 HA3 GLY A 8 11.362 7.654 13.003 1.00 51.11 H new ATOM 131 N ASP A 9 8.878 6.358 11.314 1.00 71.55 N ATOM 132 CA ASP A 9 7.585 6.649 10.706 1.00 54.11 C ATOM 133 C ASP A 9 6.470 5.877 11.404 1.00 33.22 C ATOM 134 O ASP A 9 6.598 4.680 11.665 1.00 60.31 O ATOM 135 CB ASP A 9 7.607 6.302 9.217 1.00 60.15 C ATOM 136 CG ASP A 9 7.839 7.518 8.342 1.00 51.31 C ATOM 137 OD1 ASP A 9 8.311 8.547 8.870 1.00 63.43 O ATOM 138 OD2 ASP A 9 7.547 7.442 7.130 1.00 42.32 O ATOM 0 H ASP A 9 9.298 5.479 11.012 1.00 71.55 H new ATOM 0 HA ASP A 9 7.390 7.715 10.819 1.00 54.11 H new ATOM 0 HB2 ASP A 9 8.391 5.568 9.030 1.00 60.15 H new ATOM 0 HB3 ASP A 9 6.661 5.835 8.942 1.00 60.15 H new ATOM 143 N LEU A 10 5.377 6.569 11.706 1.00 74.04 N ATOM 144 CA LEU A 10 4.239 5.949 12.375 1.00 34.31 C ATOM 145 C LEU A 10 3.363 5.197 11.377 1.00 0.43 C ATOM 146 O LEU A 10 2.821 5.790 10.444 1.00 73.43 O ATOM 147 CB LEU A 10 3.409 7.009 13.102 1.00 61.05 C ATOM 148 CG LEU A 10 4.123 7.770 14.219 1.00 1.21 C ATOM 149 CD1 LEU A 10 4.905 6.811 15.103 1.00 1.11 C ATOM 150 CD2 LEU A 10 5.044 8.833 13.637 1.00 72.31 C ATOM 0 H LEU A 10 5.255 7.560 11.498 1.00 74.04 H new ATOM 0 HA LEU A 10 4.623 5.235 13.103 1.00 34.31 H new ATOM 0 HB2 LEU A 10 3.054 7.731 12.367 1.00 61.05 H new ATOM 0 HB3 LEU A 10 2.528 6.525 13.524 1.00 61.05 H new ATOM 0 HG LEU A 10 3.371 8.266 14.832 1.00 1.21 H new ATOM 0 HD11 LEU A 10 5.407 7.371 15.892 1.00 1.11 H new ATOM 0 HD12 LEU A 10 4.222 6.088 15.549 1.00 1.11 H new ATOM 0 HD13 LEU A 10 5.648 6.286 14.502 1.00 1.11 H new ATOM 0 HD21 LEU A 10 5.544 9.364 14.447 1.00 72.31 H new ATOM 0 HD22 LEU A 10 5.790 8.359 13.000 1.00 72.31 H new ATOM 0 HD23 LEU A 10 4.459 9.538 13.047 1.00 72.31 H new ATOM 162 N ILE A 11 3.228 3.892 11.582 1.00 22.43 N ATOM 163 CA ILE A 11 2.416 3.061 10.703 1.00 73.44 C ATOM 164 C ILE A 11 1.837 1.867 11.454 1.00 32.31 C ATOM 165 O ILE A 11 2.493 1.286 12.319 1.00 63.03 O ATOM 166 CB ILE A 11 3.231 2.550 9.500 1.00 74.33 C ATOM 167 CG1 ILE A 11 4.466 1.786 9.980 1.00 31.55 C ATOM 168 CG2 ILE A 11 3.635 3.710 8.603 1.00 73.15 C ATOM 169 CD1 ILE A 11 4.215 0.311 10.204 1.00 61.41 C ATOM 0 H ILE A 11 3.671 3.387 12.350 1.00 22.43 H new ATOM 0 HA ILE A 11 1.602 3.688 10.340 1.00 73.44 H new ATOM 0 HB ILE A 11 2.608 1.868 8.921 1.00 74.33 H new ATOM 0 HG12 ILE A 11 5.264 1.903 9.246 1.00 31.55 H new ATOM 0 HG13 ILE A 11 4.820 2.231 10.910 1.00 31.55 H new ATOM 0 HG21 ILE A 11 4.210 3.333 7.757 1.00 73.15 H new ATOM 0 HG22 ILE A 11 2.741 4.216 8.237 1.00 73.15 H new ATOM 0 HG23 ILE A 11 4.243 4.414 9.171 1.00 73.15 H new ATOM 0 HD11 ILE A 11 5.134 -0.167 10.543 1.00 61.41 H new ATOM 0 HD12 ILE A 11 3.440 0.185 10.960 1.00 61.41 H new ATOM 0 HD13 ILE A 11 3.890 -0.149 9.271 1.00 61.41 H new ATOM 181 N PHE A 12 0.603 1.504 11.117 1.00 5.04 N ATOM 182 CA PHE A 12 -0.064 0.378 11.760 1.00 55.03 C ATOM 183 C PHE A 12 0.479 -0.948 11.236 1.00 45.12 C ATOM 184 O PHE A 12 0.272 -1.301 10.075 1.00 1.13 O ATOM 185 CB PHE A 12 -1.575 0.452 11.524 1.00 65.50 C ATOM 186 CG PHE A 12 -2.319 1.157 12.621 1.00 1.22 C ATOM 187 CD1 PHE A 12 -1.836 2.342 13.153 1.00 53.21 C ATOM 188 CD2 PHE A 12 -3.501 0.635 13.121 1.00 1.23 C ATOM 189 CE1 PHE A 12 -2.519 2.994 14.162 1.00 0.44 C ATOM 190 CE2 PHE A 12 -4.188 1.283 14.130 1.00 11.14 C ATOM 191 CZ PHE A 12 -3.696 2.463 14.652 1.00 0.44 C ATOM 0 H PHE A 12 0.046 1.973 10.403 1.00 5.04 H new ATOM 0 HA PHE A 12 0.134 0.433 12.830 1.00 55.03 H new ATOM 0 HB2 PHE A 12 -1.763 0.965 10.581 1.00 65.50 H new ATOM 0 HB3 PHE A 12 -1.968 -0.559 11.421 1.00 65.50 H new ATOM 0 HD1 PHE A 12 -0.915 2.761 12.775 1.00 53.21 H new ATOM 0 HD2 PHE A 12 -3.890 -0.288 12.718 1.00 1.23 H new ATOM 0 HE1 PHE A 12 -2.133 3.918 14.567 1.00 0.44 H new ATOM 0 HE2 PHE A 12 -5.109 0.867 14.510 1.00 11.14 H new ATOM 0 HZ PHE A 12 -4.231 2.970 15.442 1.00 0.44 H new ATOM 201 N ALA A 13 1.177 -1.677 12.100 1.00 21.34 N ATOM 202 CA ALA A 13 1.750 -2.964 11.726 1.00 31.44 C ATOM 203 C ALA A 13 0.696 -4.066 11.762 1.00 55.45 C ATOM 204 O ALA A 13 -0.114 -4.135 12.686 1.00 33.13 O ATOM 205 CB ALA A 13 2.911 -3.313 12.647 1.00 55.15 C ATOM 0 H ALA A 13 1.359 -1.398 13.064 1.00 21.34 H new ATOM 0 HA ALA A 13 2.121 -2.885 10.704 1.00 31.44 H new ATOM 0 HB1 ALA A 13 3.329 -4.277 12.356 1.00 55.15 H new ATOM 0 HB2 ALA A 13 3.681 -2.545 12.569 1.00 55.15 H new ATOM 0 HB3 ALA A 13 2.555 -3.368 13.676 1.00 55.15 H new ATOM 211 N LYS A 14 0.710 -4.925 10.748 1.00 2.21 N ATOM 212 CA LYS A 14 -0.244 -6.024 10.662 1.00 11.24 C ATOM 213 C LYS A 14 0.468 -7.370 10.746 1.00 72.34 C ATOM 214 O LYS A 14 1.114 -7.801 9.791 1.00 73.22 O ATOM 215 CB LYS A 14 -1.039 -5.935 9.358 1.00 75.21 C ATOM 216 CG LYS A 14 -1.888 -7.164 9.078 1.00 2.32 C ATOM 217 CD LYS A 14 -2.839 -7.457 10.226 1.00 73.51 C ATOM 218 CE LYS A 14 -3.973 -8.372 9.790 1.00 72.54 C ATOM 219 NZ LYS A 14 -3.476 -9.714 9.378 1.00 61.41 N ATOM 0 H LYS A 14 1.372 -4.881 9.974 1.00 2.21 H new ATOM 0 HA LYS A 14 -0.931 -5.943 11.505 1.00 11.24 H new ATOM 0 HB2 LYS A 14 -1.685 -5.058 9.395 1.00 75.21 H new ATOM 0 HB3 LYS A 14 -0.347 -5.786 8.530 1.00 75.21 H new ATOM 0 HG2 LYS A 14 -2.458 -7.013 8.161 1.00 2.32 H new ATOM 0 HG3 LYS A 14 -1.240 -8.025 8.912 1.00 2.32 H new ATOM 0 HD2 LYS A 14 -2.290 -7.921 11.045 1.00 73.51 H new ATOM 0 HD3 LYS A 14 -3.250 -6.522 10.607 1.00 73.51 H new ATOM 0 HE2 LYS A 14 -4.684 -8.484 10.608 1.00 72.54 H new ATOM 0 HE3 LYS A 14 -4.511 -7.914 8.960 1.00 72.54 H new ATOM 0 HZ1 LYS A 14 -4.282 -10.319 9.120 1.00 61.41 H new ATOM 0 HZ2 LYS A 14 -2.843 -9.613 8.559 1.00 61.41 H new ATOM 0 HZ3 LYS A 14 -2.955 -10.149 10.167 1.00 61.41 H new ATOM 233 N MET A 15 0.344 -8.030 11.892 1.00 32.25 N ATOM 234 CA MET A 15 0.974 -9.329 12.098 1.00 33.31 C ATOM 235 C MET A 15 0.058 -10.457 11.633 1.00 31.24 C ATOM 236 O MET A 15 -1.135 -10.468 11.938 1.00 0.20 O ATOM 237 CB MET A 15 1.328 -9.520 13.574 1.00 25.00 C ATOM 238 CG MET A 15 2.686 -8.949 13.951 1.00 31.54 C ATOM 239 SD MET A 15 3.099 -9.229 15.684 1.00 3.41 S ATOM 240 CE MET A 15 3.293 -11.009 15.703 1.00 23.13 C ATOM 0 H MET A 15 -0.187 -7.687 12.693 1.00 32.25 H new ATOM 0 HA MET A 15 1.889 -9.359 11.506 1.00 33.31 H new ATOM 0 HB2 MET A 15 0.561 -9.047 14.187 1.00 25.00 H new ATOM 0 HB3 MET A 15 1.312 -10.584 13.808 1.00 25.00 H new ATOM 0 HG2 MET A 15 3.453 -9.400 13.321 1.00 31.54 H new ATOM 0 HG3 MET A 15 2.695 -7.878 13.748 1.00 31.54 H new ATOM 0 HE1 MET A 15 4.046 -11.285 16.441 1.00 23.13 H new ATOM 0 HE2 MET A 15 2.343 -11.476 15.962 1.00 23.13 H new ATOM 0 HE3 MET A 15 3.608 -11.351 14.717 1.00 23.13 H new ATOM 250 N LYS A 16 0.623 -11.405 10.894 1.00 60.42 N ATOM 251 CA LYS A 16 -0.142 -12.539 10.387 1.00 4.23 C ATOM 252 C LYS A 16 -0.869 -13.255 11.521 1.00 4.00 C ATOM 253 O LYS A 16 -0.244 -13.895 12.366 1.00 64.15 O ATOM 254 CB LYS A 16 0.781 -13.519 9.660 1.00 45.13 C ATOM 255 CG LYS A 16 1.338 -12.976 8.355 1.00 2.31 C ATOM 256 CD LYS A 16 1.981 -14.073 7.523 1.00 33.02 C ATOM 257 CE LYS A 16 3.400 -14.364 7.986 1.00 61.44 C ATOM 258 NZ LYS A 16 3.878 -15.691 7.506 1.00 3.24 N ATOM 0 H LYS A 16 1.609 -11.411 10.632 1.00 60.42 H new ATOM 0 HA LYS A 16 -0.884 -12.160 9.685 1.00 4.23 H new ATOM 0 HB2 LYS A 16 1.610 -13.781 10.318 1.00 45.13 H new ATOM 0 HB3 LYS A 16 0.233 -14.439 9.457 1.00 45.13 H new ATOM 0 HG2 LYS A 16 0.537 -12.507 7.784 1.00 2.31 H new ATOM 0 HG3 LYS A 16 2.074 -12.201 8.567 1.00 2.31 H new ATOM 0 HD2 LYS A 16 1.382 -14.981 7.590 1.00 33.02 H new ATOM 0 HD3 LYS A 16 1.993 -13.776 6.474 1.00 33.02 H new ATOM 0 HE2 LYS A 16 4.068 -13.584 7.622 1.00 61.44 H new ATOM 0 HE3 LYS A 16 3.440 -14.335 9.075 1.00 61.44 H new ATOM 0 HZ1 LYS A 16 4.849 -15.853 7.842 1.00 3.24 H new ATOM 0 HZ2 LYS A 16 3.255 -16.438 7.874 1.00 3.24 H new ATOM 0 HZ3 LYS A 16 3.864 -15.710 6.466 1.00 3.24 H new ATOM 272 N GLY A 17 -2.194 -13.143 11.532 1.00 24.54 N ATOM 273 CA GLY A 17 -2.983 -13.787 12.566 1.00 13.31 C ATOM 274 C GLY A 17 -3.380 -12.830 13.673 1.00 42.44 C ATOM 275 O GLY A 17 -3.863 -13.251 14.724 1.00 42.01 O ATOM 0 H GLY A 17 -2.734 -12.618 10.844 1.00 24.54 H new ATOM 0 HA2 GLY A 17 -3.881 -14.215 12.120 1.00 13.31 H new ATOM 0 HA3 GLY A 17 -2.414 -14.614 12.991 1.00 13.31 H new ATOM 279 N TYR A 18 -3.174 -11.539 13.438 1.00 55.55 N ATOM 280 CA TYR A 18 -3.510 -10.519 14.424 1.00 31.15 C ATOM 281 C TYR A 18 -3.977 -9.236 13.745 1.00 52.42 C ATOM 282 O TYR A 18 -3.609 -8.934 12.609 1.00 20.52 O ATOM 283 CB TYR A 18 -2.303 -10.226 15.317 1.00 21.51 C ATOM 284 CG TYR A 18 -1.592 -11.470 15.801 1.00 62.12 C ATOM 285 CD1 TYR A 18 -0.602 -12.072 15.033 1.00 14.31 C ATOM 286 CD2 TYR A 18 -1.909 -12.043 17.026 1.00 10.04 C ATOM 287 CE1 TYR A 18 0.049 -13.208 15.471 1.00 61.41 C ATOM 288 CE2 TYR A 18 -1.262 -13.179 17.473 1.00 44.22 C ATOM 289 CZ TYR A 18 -0.284 -13.758 16.691 1.00 22.04 C ATOM 290 OH TYR A 18 0.364 -14.889 17.132 1.00 70.54 O ATOM 0 H TYR A 18 -2.776 -11.174 12.573 1.00 55.55 H new ATOM 0 HA TYR A 18 -4.325 -10.900 15.039 1.00 31.15 H new ATOM 0 HB2 TYR A 18 -1.597 -9.605 14.766 1.00 21.51 H new ATOM 0 HB3 TYR A 18 -2.632 -9.647 16.180 1.00 21.51 H new ATOM 0 HD1 TYR A 18 -0.338 -11.644 14.077 1.00 14.31 H new ATOM 0 HD2 TYR A 18 -2.675 -11.593 17.640 1.00 10.04 H new ATOM 0 HE1 TYR A 18 0.815 -13.664 14.861 1.00 61.41 H new ATOM 0 HE2 TYR A 18 -1.520 -13.611 18.429 1.00 44.22 H new ATOM 0 HH TYR A 18 0.012 -15.146 18.010 1.00 70.54 H new ATOM 300 N PRO A 19 -4.808 -8.459 14.456 1.00 33.41 N ATOM 301 CA PRO A 19 -5.344 -7.195 13.943 1.00 4.23 C ATOM 302 C PRO A 19 -4.273 -6.115 13.832 1.00 41.23 C ATOM 303 O PRO A 19 -3.133 -6.310 14.256 1.00 73.14 O ATOM 304 CB PRO A 19 -6.391 -6.803 14.988 1.00 32.34 C ATOM 305 CG PRO A 19 -5.943 -7.471 16.242 1.00 34.54 C ATOM 306 CD PRO A 19 -5.289 -8.756 15.816 1.00 61.41 C ATOM 0 HA PRO A 19 -5.747 -7.302 12.936 1.00 4.23 H new ATOM 0 HB2 PRO A 19 -6.441 -5.721 15.112 1.00 32.34 H new ATOM 0 HB3 PRO A 19 -7.387 -7.137 14.696 1.00 32.34 H new ATOM 0 HG2 PRO A 19 -5.244 -6.841 16.791 1.00 34.54 H new ATOM 0 HG3 PRO A 19 -6.787 -7.664 16.904 1.00 34.54 H new ATOM 0 HD2 PRO A 19 -4.470 -9.030 16.481 1.00 61.41 H new ATOM 0 HD3 PRO A 19 -5.995 -9.587 15.820 1.00 61.41 H new ATOM 314 N HIS A 20 -4.646 -4.975 13.259 1.00 12.31 N ATOM 315 CA HIS A 20 -3.717 -3.863 13.093 1.00 12.41 C ATOM 316 C HIS A 20 -3.326 -3.275 14.446 1.00 54.54 C ATOM 317 O HIS A 20 -4.105 -3.314 15.398 1.00 23.35 O ATOM 318 CB HIS A 20 -4.339 -2.778 12.213 1.00 71.02 C ATOM 319 CG HIS A 20 -5.023 -3.315 10.993 1.00 22.45 C ATOM 320 ND1 HIS A 20 -4.424 -4.203 10.124 1.00 0.33 N ATOM 321 CD2 HIS A 20 -6.263 -3.087 10.501 1.00 62.41 C ATOM 322 CE1 HIS A 20 -5.265 -4.496 9.149 1.00 53.21 C ATOM 323 NE2 HIS A 20 -6.389 -3.832 9.354 1.00 22.42 N ATOM 0 H HIS A 20 -5.585 -4.797 12.902 1.00 12.31 H new ATOM 0 HA HIS A 20 -2.818 -4.243 12.608 1.00 12.41 H new ATOM 0 HB2 HIS A 20 -5.059 -2.211 12.803 1.00 71.02 H new ATOM 0 HB3 HIS A 20 -3.560 -2.080 11.905 1.00 71.02 H new ATOM 0 HD2 HIS A 20 -7.014 -2.440 10.930 1.00 62.41 H new ATOM 0 HE1 HIS A 20 -5.068 -5.165 8.324 1.00 53.21 H new ATOM 0 HE2 HIS A 20 -7.216 -3.867 8.757 1.00 22.42 H new ATOM 331 N TRP A 21 -2.117 -2.731 14.521 1.00 12.34 N ATOM 332 CA TRP A 21 -1.623 -2.135 15.758 1.00 73.32 C ATOM 333 C TRP A 21 -0.685 -0.970 15.464 1.00 24.30 C ATOM 334 O TRP A 21 0.147 -1.025 14.558 1.00 73.44 O ATOM 335 CB TRP A 21 -0.902 -3.187 16.602 1.00 61.30 C ATOM 336 CG TRP A 21 -0.334 -2.639 17.876 1.00 20.11 C ATOM 337 CD1 TRP A 21 0.827 -1.934 18.019 1.00 21.45 C ATOM 338 CD2 TRP A 21 -0.901 -2.753 19.186 1.00 52.53 C ATOM 339 NE1 TRP A 21 1.016 -1.603 19.340 1.00 52.14 N ATOM 340 CE2 TRP A 21 -0.031 -2.092 20.075 1.00 21.42 C ATOM 341 CE3 TRP A 21 -2.060 -3.345 19.693 1.00 33.44 C ATOM 342 CZ2 TRP A 21 -0.285 -2.012 21.442 1.00 43.52 C ATOM 343 CZ3 TRP A 21 -2.311 -3.264 21.050 1.00 64.50 C ATOM 344 CH2 TRP A 21 -1.427 -2.601 21.912 1.00 62.05 C ATOM 0 H TRP A 21 -1.461 -2.690 13.741 1.00 12.34 H new ATOM 0 HA TRP A 21 -2.478 -1.755 16.317 1.00 73.32 H new ATOM 0 HB2 TRP A 21 -1.598 -3.991 16.839 1.00 61.30 H new ATOM 0 HB3 TRP A 21 -0.097 -3.626 16.013 1.00 61.30 H new ATOM 0 HD1 TRP A 21 1.498 -1.675 17.213 1.00 21.45 H new ATOM 0 HE1 TRP A 21 1.808 -1.078 19.712 1.00 52.14 H new ATOM 0 HE3 TRP A 21 -2.748 -3.857 19.036 1.00 33.44 H new ATOM 0 HZ2 TRP A 21 0.396 -1.503 22.108 1.00 43.52 H new ATOM 0 HZ3 TRP A 21 -3.204 -3.719 21.453 1.00 64.50 H new ATOM 0 HH2 TRP A 21 -1.651 -2.554 22.967 1.00 62.05 H new ATOM 355 N PRO A 22 -0.818 0.111 16.247 1.00 22.50 N ATOM 356 CA PRO A 22 0.011 1.309 16.090 1.00 43.14 C ATOM 357 C PRO A 22 1.460 1.070 16.500 1.00 63.44 C ATOM 358 O PRO A 22 1.749 0.798 17.665 1.00 73.13 O ATOM 359 CB PRO A 22 -0.649 2.323 17.027 1.00 31.02 C ATOM 360 CG PRO A 22 -1.340 1.495 18.054 1.00 34.55 C ATOM 361 CD PRO A 22 -1.788 0.246 17.347 1.00 62.53 C ATOM 0 HA PRO A 22 0.060 1.637 15.052 1.00 43.14 H new ATOM 0 HB2 PRO A 22 0.091 2.982 17.482 1.00 31.02 H new ATOM 0 HB3 PRO A 22 -1.354 2.958 16.490 1.00 31.02 H new ATOM 0 HG2 PRO A 22 -0.669 1.257 18.879 1.00 34.55 H new ATOM 0 HG3 PRO A 22 -2.190 2.029 18.479 1.00 34.55 H new ATOM 0 HD2 PRO A 22 -1.768 -0.620 18.009 1.00 62.53 H new ATOM 0 HD3 PRO A 22 -2.808 0.339 16.974 1.00 62.53 H new ATOM 369 N ALA A 23 2.368 1.173 15.535 1.00 63.34 N ATOM 370 CA ALA A 23 3.788 0.970 15.796 1.00 32.44 C ATOM 371 C ALA A 23 4.639 1.956 15.004 1.00 13.54 C ATOM 372 O ALA A 23 4.115 2.868 14.364 1.00 13.00 O ATOM 373 CB ALA A 23 4.187 -0.460 15.463 1.00 34.32 C ATOM 0 H ALA A 23 2.145 1.396 14.565 1.00 63.34 H new ATOM 0 HA ALA A 23 3.965 1.148 16.857 1.00 32.44 H new ATOM 0 HB1 ALA A 23 5.250 -0.597 15.663 1.00 34.32 H new ATOM 0 HB2 ALA A 23 3.610 -1.151 16.078 1.00 34.32 H new ATOM 0 HB3 ALA A 23 3.987 -0.658 14.410 1.00 34.32 H new ATOM 379 N ARG A 24 5.954 1.769 15.053 1.00 35.10 N ATOM 380 CA ARG A 24 6.877 2.644 14.341 1.00 10.33 C ATOM 381 C ARG A 24 7.915 1.831 13.574 1.00 22.31 C ATOM 382 O ARG A 24 8.050 0.624 13.780 1.00 51.42 O ATOM 383 CB ARG A 24 7.576 3.589 15.321 1.00 32.52 C ATOM 384 CG ARG A 24 8.504 2.879 16.294 1.00 55.20 C ATOM 385 CD ARG A 24 9.942 2.893 15.802 1.00 24.12 C ATOM 386 NE ARG A 24 10.445 4.252 15.619 1.00 62.34 N ATOM 387 CZ ARG A 24 10.712 5.079 16.623 1.00 31.44 C ATOM 388 NH1 ARG A 24 10.525 4.687 17.876 1.00 23.22 N ATOM 389 NH2 ARG A 24 11.167 6.300 16.376 1.00 52.31 N ATOM 0 H ARG A 24 6.404 1.019 15.578 1.00 35.10 H new ATOM 0 HA ARG A 24 6.302 3.233 13.626 1.00 10.33 H new ATOM 0 HB2 ARG A 24 8.149 4.325 14.757 1.00 32.52 H new ATOM 0 HB3 ARG A 24 6.821 4.137 15.886 1.00 32.52 H new ATOM 0 HG2 ARG A 24 8.447 3.361 17.270 1.00 55.20 H new ATOM 0 HG3 ARG A 24 8.174 1.849 16.428 1.00 55.20 H new ATOM 0 HD2 ARG A 24 10.574 2.366 16.516 1.00 24.12 H new ATOM 0 HD3 ARG A 24 10.007 2.352 14.858 1.00 24.12 H new ATOM 0 HE ARG A 24 10.600 4.584 14.667 1.00 62.34 H new ATOM 0 HH11 ARG A 24 10.175 3.749 18.070 1.00 23.22 H new ATOM 0 HH12 ARG A 24 10.731 5.324 18.646 1.00 23.22 H new ATOM 0 HH21 ARG A 24 11.312 6.605 15.414 1.00 52.31 H new ATOM 0 HH22 ARG A 24 11.372 6.934 17.148 1.00 52.31 H new ATOM 403 N VAL A 25 8.647 2.499 12.688 1.00 12.33 N ATOM 404 CA VAL A 25 9.673 1.839 11.891 1.00 43.25 C ATOM 405 C VAL A 25 11.062 2.087 12.468 1.00 43.41 C ATOM 406 O VAL A 25 11.397 3.210 12.846 1.00 41.33 O ATOM 407 CB VAL A 25 9.644 2.321 10.428 1.00 53.01 C ATOM 408 CG1 VAL A 25 10.707 1.606 9.608 1.00 32.33 C ATOM 409 CG2 VAL A 25 8.263 2.110 9.826 1.00 72.13 C ATOM 0 H VAL A 25 8.548 3.497 12.504 1.00 12.33 H new ATOM 0 HA VAL A 25 9.456 0.771 11.919 1.00 43.25 H new ATOM 0 HB VAL A 25 9.864 3.388 10.411 1.00 53.01 H new ATOM 0 HG11 VAL A 25 10.671 1.960 8.578 1.00 32.33 H new ATOM 0 HG12 VAL A 25 11.691 1.813 10.028 1.00 32.33 H new ATOM 0 HG13 VAL A 25 10.522 0.532 9.630 1.00 32.33 H new ATOM 0 HG21 VAL A 25 8.260 2.456 8.792 1.00 72.13 H new ATOM 0 HG22 VAL A 25 8.012 1.050 9.855 1.00 72.13 H new ATOM 0 HG23 VAL A 25 7.526 2.673 10.399 1.00 72.13 H new ATOM 419 N ASP A 26 11.867 1.033 12.533 1.00 70.52 N ATOM 420 CA ASP A 26 13.222 1.136 13.063 1.00 74.31 C ATOM 421 C ASP A 26 14.248 1.140 11.934 1.00 31.32 C ATOM 422 O ASP A 26 13.919 0.854 10.783 1.00 2.23 O ATOM 423 CB ASP A 26 13.506 -0.020 14.023 1.00 32.32 C ATOM 424 CG ASP A 26 14.595 0.313 15.024 1.00 71.21 C ATOM 425 OD1 ASP A 26 14.602 1.452 15.536 1.00 44.00 O ATOM 426 OD2 ASP A 26 15.439 -0.566 15.296 1.00 42.03 O ATOM 0 H ASP A 26 11.605 0.097 12.225 1.00 70.52 H new ATOM 0 HA ASP A 26 13.303 2.077 13.606 1.00 74.31 H new ATOM 0 HB2 ASP A 26 12.592 -0.278 14.558 1.00 32.32 H new ATOM 0 HB3 ASP A 26 13.799 -0.900 13.451 1.00 32.32 H new ATOM 431 N GLU A 27 15.491 1.466 12.273 1.00 43.22 N ATOM 432 CA GLU A 27 16.565 1.509 11.287 1.00 54.13 C ATOM 433 C GLU A 27 17.238 0.146 11.156 1.00 41.01 C ATOM 434 O GLU A 27 16.953 -0.776 11.920 1.00 12.23 O ATOM 435 CB GLU A 27 17.600 2.567 11.673 1.00 3.01 C ATOM 436 CG GLU A 27 18.305 2.277 12.988 1.00 43.05 C ATOM 437 CD GLU A 27 19.370 3.305 13.318 1.00 62.25 C ATOM 438 OE1 GLU A 27 19.202 4.480 12.930 1.00 31.21 O ATOM 439 OE2 GLU A 27 20.372 2.933 13.964 1.00 43.31 O ATOM 0 H GLU A 27 15.779 1.704 13.222 1.00 43.22 H new ATOM 0 HA GLU A 27 16.129 1.773 10.324 1.00 54.13 H new ATOM 0 HB2 GLU A 27 18.344 2.642 10.880 1.00 3.01 H new ATOM 0 HB3 GLU A 27 17.108 3.537 11.740 1.00 3.01 H new ATOM 0 HG2 GLU A 27 17.570 2.250 13.792 1.00 43.05 H new ATOM 0 HG3 GLU A 27 18.762 1.288 12.941 1.00 43.05 H new ATOM 585 N ASN A 38 12.931 -9.647 3.095 1.00 4.21 N ATOM 586 CA ASN A 38 11.870 -8.993 2.339 1.00 54.01 C ATOM 587 C ASN A 38 10.901 -8.273 3.272 1.00 31.23 C ATOM 588 O ASN A 38 9.729 -8.087 2.945 1.00 35.14 O ATOM 589 CB ASN A 38 11.113 -10.018 1.492 1.00 74.00 C ATOM 590 CG ASN A 38 10.085 -10.788 2.298 1.00 33.13 C ATOM 591 OD1 ASN A 38 8.911 -10.848 1.933 1.00 55.50 O ATOM 592 ND2 ASN A 38 10.523 -11.382 3.402 1.00 61.51 N ATOM 0 HA ASN A 38 12.329 -8.255 1.681 1.00 54.01 H new ATOM 0 HB2 ASN A 38 10.616 -9.507 0.667 1.00 74.00 H new ATOM 0 HB3 ASN A 38 11.824 -10.717 1.052 1.00 74.00 H new ATOM 0 HD21 ASN A 38 9.877 -11.914 3.985 1.00 61.51 H new ATOM 0 HD22 ASN A 38 11.505 -11.306 3.667 1.00 61.51 H new ATOM 599 N LYS A 39 11.399 -7.870 4.436 1.00 0.41 N ATOM 600 CA LYS A 39 10.580 -7.168 5.418 1.00 70.35 C ATOM 601 C LYS A 39 11.387 -6.085 6.126 1.00 65.32 C ATOM 602 O LYS A 39 12.585 -5.931 5.884 1.00 64.42 O ATOM 603 CB LYS A 39 10.020 -8.156 6.444 1.00 4.42 C ATOM 604 CG LYS A 39 9.462 -9.426 5.825 1.00 3.54 C ATOM 605 CD LYS A 39 8.735 -10.274 6.855 1.00 60.44 C ATOM 606 CE LYS A 39 8.346 -11.630 6.285 1.00 50.23 C ATOM 607 NZ LYS A 39 7.591 -11.499 5.008 1.00 51.41 N ATOM 0 H LYS A 39 12.367 -8.018 4.723 1.00 0.41 H new ATOM 0 HA LYS A 39 9.753 -6.692 4.891 1.00 70.35 H new ATOM 0 HB2 LYS A 39 10.809 -8.421 7.148 1.00 4.42 H new ATOM 0 HB3 LYS A 39 9.233 -7.665 7.017 1.00 4.42 H new ATOM 0 HG2 LYS A 39 8.778 -9.168 5.016 1.00 3.54 H new ATOM 0 HG3 LYS A 39 10.274 -10.004 5.384 1.00 3.54 H new ATOM 0 HD2 LYS A 39 9.372 -10.414 7.728 1.00 60.44 H new ATOM 0 HD3 LYS A 39 7.841 -9.750 7.194 1.00 60.44 H new ATOM 0 HE2 LYS A 39 9.244 -12.224 6.117 1.00 50.23 H new ATOM 0 HE3 LYS A 39 7.739 -12.169 7.012 1.00 50.23 H new ATOM 0 HZ1 LYS A 39 7.330 -12.444 4.661 1.00 51.41 H new ATOM 0 HZ2 LYS A 39 6.730 -10.939 5.170 1.00 51.41 H new ATOM 0 HZ3 LYS A 39 8.186 -11.022 4.300 1.00 51.41 H new ATOM 621 N LEU A 40 10.725 -5.338 7.002 1.00 4.01 N ATOM 622 CA LEU A 40 11.382 -4.270 7.747 1.00 4.33 C ATOM 623 C LEU A 40 11.097 -4.393 9.241 1.00 42.43 C ATOM 624 O LEU A 40 10.127 -5.022 9.663 1.00 70.13 O ATOM 625 CB LEU A 40 10.916 -2.905 7.238 1.00 3.42 C ATOM 626 CG LEU A 40 9.454 -2.815 6.802 1.00 55.40 C ATOM 627 CD1 LEU A 40 8.913 -1.412 7.032 1.00 2.23 C ATOM 628 CD2 LEU A 40 9.308 -3.211 5.340 1.00 35.01 C ATOM 0 H LEU A 40 9.734 -5.452 7.214 1.00 4.01 H new ATOM 0 HA LEU A 40 12.457 -4.361 7.592 1.00 4.33 H new ATOM 0 HB2 LEU A 40 11.086 -2.169 8.024 1.00 3.42 H new ATOM 0 HB3 LEU A 40 11.544 -2.621 6.394 1.00 3.42 H new ATOM 0 HG LEU A 40 8.872 -3.510 7.406 1.00 55.40 H new ATOM 0 HD11 LEU A 40 7.871 -1.367 6.716 1.00 2.23 H new ATOM 0 HD12 LEU A 40 8.981 -1.165 8.091 1.00 2.23 H new ATOM 0 HD13 LEU A 40 9.499 -0.697 6.454 1.00 2.23 H new ATOM 0 HD21 LEU A 40 8.260 -3.141 5.047 1.00 35.01 H new ATOM 0 HD22 LEU A 40 9.904 -2.541 4.720 1.00 35.01 H new ATOM 0 HD23 LEU A 40 9.655 -4.235 5.204 1.00 35.01 H new ATOM 640 N PRO A 41 11.961 -3.775 10.061 1.00 34.50 N ATOM 641 CA PRO A 41 11.821 -3.799 11.520 1.00 11.11 C ATOM 642 C PRO A 41 10.627 -2.981 12.001 1.00 4.14 C ATOM 643 O PRO A 41 10.536 -1.783 11.733 1.00 11.43 O ATOM 644 CB PRO A 41 13.130 -3.176 12.012 1.00 54.53 C ATOM 645 CG PRO A 41 13.586 -2.314 10.885 1.00 33.11 C ATOM 646 CD PRO A 41 13.139 -3.007 9.627 1.00 4.13 C ATOM 0 HA PRO A 41 11.645 -4.807 11.896 1.00 11.11 H new ATOM 0 HB2 PRO A 41 12.974 -2.592 12.919 1.00 54.53 H new ATOM 0 HB3 PRO A 41 13.869 -3.942 12.249 1.00 54.53 H new ATOM 0 HG2 PRO A 41 13.152 -1.317 10.956 1.00 33.11 H new ATOM 0 HG3 PRO A 41 14.669 -2.193 10.900 1.00 33.11 H new ATOM 0 HD2 PRO A 41 12.887 -2.293 8.843 1.00 4.13 H new ATOM 0 HD3 PRO A 41 13.918 -3.657 9.228 1.00 4.13 H new ATOM 654 N ILE A 42 9.716 -3.635 12.713 1.00 72.31 N ATOM 655 CA ILE A 42 8.529 -2.967 13.232 1.00 21.35 C ATOM 656 C ILE A 42 8.484 -3.033 14.755 1.00 13.13 C ATOM 657 O ILE A 42 8.191 -4.079 15.334 1.00 60.51 O ATOM 658 CB ILE A 42 7.239 -3.588 12.664 1.00 23.45 C ATOM 659 CG1 ILE A 42 7.331 -3.706 11.142 1.00 44.53 C ATOM 660 CG2 ILE A 42 6.030 -2.757 13.065 1.00 10.20 C ATOM 661 CD1 ILE A 42 7.573 -2.383 10.447 1.00 31.45 C ATOM 0 H ILE A 42 9.777 -4.627 12.944 1.00 72.31 H new ATOM 0 HA ILE A 42 8.590 -1.925 12.917 1.00 21.35 H new ATOM 0 HB ILE A 42 7.121 -4.589 13.080 1.00 23.45 H new ATOM 0 HG12 ILE A 42 8.137 -4.394 10.887 1.00 44.53 H new ATOM 0 HG13 ILE A 42 6.407 -4.143 10.763 1.00 44.53 H new ATOM 0 HG21 ILE A 42 5.126 -3.209 12.656 1.00 10.20 H new ATOM 0 HG22 ILE A 42 5.958 -2.721 14.152 1.00 10.20 H new ATOM 0 HG23 ILE A 42 6.138 -1.745 12.675 1.00 10.20 H new ATOM 0 HD11 ILE A 42 7.627 -2.542 9.370 1.00 31.45 H new ATOM 0 HD12 ILE A 42 6.755 -1.699 10.672 1.00 31.45 H new ATOM 0 HD13 ILE A 42 8.512 -1.954 10.798 1.00 31.45 H new ATOM 673 N PHE A 43 8.774 -1.907 15.399 1.00 33.34 N ATOM 674 CA PHE A 43 8.765 -1.836 16.856 1.00 42.01 C ATOM 675 C PHE A 43 7.344 -1.664 17.384 1.00 71.42 C ATOM 676 O PHE A 43 6.751 -0.592 17.265 1.00 33.10 O ATOM 677 CB PHE A 43 9.643 -0.678 17.336 1.00 31.31 C ATOM 678 CG PHE A 43 9.884 -0.683 18.819 1.00 74.44 C ATOM 679 CD1 PHE A 43 10.369 -1.817 19.451 1.00 14.32 C ATOM 680 CD2 PHE A 43 9.624 0.445 19.580 1.00 63.02 C ATOM 681 CE1 PHE A 43 10.592 -1.825 20.815 1.00 14.33 C ATOM 682 CE2 PHE A 43 9.846 0.443 20.944 1.00 13.00 C ATOM 683 CZ PHE A 43 10.329 -0.694 21.563 1.00 52.53 C ATOM 0 H PHE A 43 9.018 -1.032 14.935 1.00 33.34 H new ATOM 0 HA PHE A 43 9.166 -2.773 17.243 1.00 42.01 H new ATOM 0 HB2 PHE A 43 10.602 -0.722 16.820 1.00 31.31 H new ATOM 0 HB3 PHE A 43 9.173 0.264 17.056 1.00 31.31 H new ATOM 0 HD1 PHE A 43 10.575 -2.705 18.871 1.00 14.32 H new ATOM 0 HD2 PHE A 43 9.244 1.336 19.102 1.00 63.02 H new ATOM 0 HE1 PHE A 43 10.972 -2.715 21.295 1.00 14.33 H new ATOM 0 HE2 PHE A 43 9.642 1.330 21.526 1.00 13.00 H new ATOM 0 HZ PHE A 43 10.500 -0.698 22.629 1.00 52.53 H new ATOM 693 N PHE A 44 6.803 -2.729 17.967 1.00 62.11 N ATOM 694 CA PHE A 44 5.451 -2.698 18.512 1.00 60.10 C ATOM 695 C PHE A 44 5.398 -1.862 19.787 1.00 13.40 C ATOM 696 O PHE A 44 6.000 -2.215 20.801 1.00 65.23 O ATOM 697 CB PHE A 44 4.962 -4.119 18.800 1.00 53.01 C ATOM 698 CG PHE A 44 4.072 -4.676 17.726 1.00 54.42 C ATOM 699 CD1 PHE A 44 4.613 -5.241 16.583 1.00 45.03 C ATOM 700 CD2 PHE A 44 2.693 -4.634 17.859 1.00 22.13 C ATOM 701 CE1 PHE A 44 3.797 -5.753 15.592 1.00 34.15 C ATOM 702 CE2 PHE A 44 1.871 -5.145 16.873 1.00 61.25 C ATOM 703 CZ PHE A 44 2.424 -5.706 15.738 1.00 32.41 C ATOM 0 H PHE A 44 7.280 -3.624 18.074 1.00 62.11 H new ATOM 0 HA PHE A 44 4.797 -2.239 17.770 1.00 60.10 H new ATOM 0 HB2 PHE A 44 5.825 -4.774 18.922 1.00 53.01 H new ATOM 0 HB3 PHE A 44 4.422 -4.124 19.747 1.00 53.01 H new ATOM 0 HD1 PHE A 44 5.686 -5.282 16.465 1.00 45.03 H new ATOM 0 HD2 PHE A 44 2.256 -4.196 18.744 1.00 22.13 H new ATOM 0 HE1 PHE A 44 4.232 -6.189 14.705 1.00 34.15 H new ATOM 0 HE2 PHE A 44 0.798 -5.106 16.989 1.00 61.25 H new ATOM 0 HZ PHE A 44 1.784 -6.107 14.966 1.00 32.41 H new ATOM 713 N PHE A 45 4.672 -0.750 19.728 1.00 2.31 N ATOM 714 CA PHE A 45 4.541 0.139 20.877 1.00 53.03 C ATOM 715 C PHE A 45 3.530 -0.412 21.878 1.00 21.42 C ATOM 716 O PHE A 45 2.523 -1.007 21.497 1.00 71.11 O ATOM 717 CB PHE A 45 4.114 1.536 20.421 1.00 10.02 C ATOM 718 CG PHE A 45 5.268 2.464 20.172 1.00 65.24 C ATOM 719 CD1 PHE A 45 6.253 2.640 21.131 1.00 70.44 C ATOM 720 CD2 PHE A 45 5.370 3.160 18.978 1.00 75.22 C ATOM 721 CE1 PHE A 45 7.316 3.493 20.904 1.00 52.33 C ATOM 722 CE2 PHE A 45 6.430 4.015 18.745 1.00 25.30 C ATOM 723 CZ PHE A 45 7.405 4.181 19.709 1.00 64.20 C ATOM 0 H PHE A 45 4.166 -0.443 18.897 1.00 2.31 H new ATOM 0 HA PHE A 45 5.512 0.205 21.367 1.00 53.03 H new ATOM 0 HB2 PHE A 45 3.526 1.447 19.508 1.00 10.02 H new ATOM 0 HB3 PHE A 45 3.463 1.973 21.178 1.00 10.02 H new ATOM 0 HD1 PHE A 45 6.189 2.104 22.067 1.00 70.44 H new ATOM 0 HD2 PHE A 45 4.611 3.032 18.220 1.00 75.22 H new ATOM 0 HE1 PHE A 45 8.077 3.622 21.660 1.00 52.33 H new ATOM 0 HE2 PHE A 45 6.496 4.553 17.811 1.00 25.30 H new ATOM 0 HZ PHE A 45 8.236 4.847 19.529 1.00 64.20 H new ATOM 733 N GLY A 46 3.808 -0.211 23.163 1.00 40.53 N ATOM 734 CA GLY A 46 2.915 -0.694 24.200 1.00 42.23 C ATOM 735 C GLY A 46 3.293 -2.076 24.692 1.00 24.54 C ATOM 736 O GLY A 46 3.176 -2.375 25.882 1.00 51.54 O ATOM 0 H GLY A 46 4.636 0.278 23.504 1.00 40.53 H new ATOM 0 HA2 GLY A 46 2.926 0.003 25.038 1.00 42.23 H new ATOM 0 HA3 GLY A 46 1.895 -0.715 23.816 1.00 42.23 H new ATOM 740 N THR A 47 3.748 -2.926 23.776 1.00 10.22 N ATOM 741 CA THR A 47 4.142 -4.285 24.123 1.00 72.51 C ATOM 742 C THR A 47 5.648 -4.475 23.981 1.00 53.13 C ATOM 743 O THR A 47 6.178 -5.549 24.266 1.00 62.01 O ATOM 744 CB THR A 47 3.420 -5.322 23.241 1.00 40.31 C ATOM 745 OG1 THR A 47 3.825 -5.170 21.876 1.00 55.33 O ATOM 746 CG2 THR A 47 1.911 -5.166 23.348 1.00 14.02 C ATOM 0 H THR A 47 3.852 -2.696 22.788 1.00 10.22 H new ATOM 0 HA THR A 47 3.856 -4.441 25.163 1.00 72.51 H new ATOM 0 HB THR A 47 3.692 -6.318 23.592 1.00 40.31 H new ATOM 0 HG1 THR A 47 3.363 -5.834 21.322 1.00 55.33 H new ATOM 0 HG21 THR A 47 1.423 -5.909 22.717 1.00 14.02 H new ATOM 0 HG22 THR A 47 1.603 -5.311 24.383 1.00 14.02 H new ATOM 0 HG23 THR A 47 1.624 -4.167 23.020 1.00 14.02 H new ATOM 754 N HIS A 48 6.332 -3.425 23.539 1.00 45.23 N ATOM 755 CA HIS A 48 7.779 -3.476 23.360 1.00 2.40 C ATOM 756 C HIS A 48 8.184 -4.705 22.552 1.00 30.13 C ATOM 757 O HIS A 48 9.232 -5.302 22.797 1.00 41.54 O ATOM 758 CB HIS A 48 8.482 -3.489 24.718 1.00 72.21 C ATOM 759 CG HIS A 48 8.542 -2.144 25.375 1.00 70.44 C ATOM 760 ND1 HIS A 48 8.420 -0.961 24.678 1.00 3.41 N ATOM 761 CD2 HIS A 48 8.710 -1.800 26.673 1.00 44.23 C ATOM 762 CE1 HIS A 48 8.513 0.054 25.519 1.00 21.00 C ATOM 763 NE2 HIS A 48 8.689 -0.428 26.736 1.00 31.30 N ATOM 0 H HIS A 48 5.908 -2.529 23.298 1.00 45.23 H new ATOM 0 HA HIS A 48 8.084 -2.586 22.810 1.00 2.40 H new ATOM 0 HB2 HIS A 48 7.965 -4.184 25.379 1.00 72.21 H new ATOM 0 HB3 HIS A 48 9.496 -3.867 24.589 1.00 72.21 H new ATOM 0 HD2 HIS A 48 8.837 -2.478 27.504 1.00 44.23 H new ATOM 0 HE1 HIS A 48 8.455 1.100 25.256 1.00 21.00 H new ATOM 0 HE2 HIS A 48 8.793 0.128 27.585 1.00 31.30 H new ATOM 771 N GLU A 49 7.345 -5.078 21.591 1.00 43.15 N ATOM 772 CA GLU A 49 7.616 -6.237 20.749 1.00 63.32 C ATOM 773 C GLU A 49 8.241 -5.813 19.423 1.00 41.12 C ATOM 774 O GLU A 49 8.386 -4.622 19.144 1.00 63.21 O ATOM 775 CB GLU A 49 6.327 -7.020 20.490 1.00 22.12 C ATOM 776 CG GLU A 49 5.745 -7.663 21.738 1.00 62.43 C ATOM 777 CD GLU A 49 6.797 -8.356 22.582 1.00 62.43 C ATOM 778 OE1 GLU A 49 7.663 -9.045 22.003 1.00 24.34 O ATOM 779 OE2 GLU A 49 6.754 -8.209 23.821 1.00 20.12 O ATOM 0 H GLU A 49 6.473 -4.595 21.376 1.00 43.15 H new ATOM 0 HA GLU A 49 8.323 -6.878 21.275 1.00 63.32 H new ATOM 0 HB2 GLU A 49 5.585 -6.349 20.057 1.00 22.12 H new ATOM 0 HB3 GLU A 49 6.525 -7.796 19.750 1.00 22.12 H new ATOM 0 HG2 GLU A 49 5.248 -6.900 22.337 1.00 62.43 H new ATOM 0 HG3 GLU A 49 4.983 -8.386 21.448 1.00 62.43 H new ATOM 786 N THR A 50 8.611 -6.796 18.608 1.00 75.13 N ATOM 787 CA THR A 50 9.221 -6.526 17.312 1.00 23.33 C ATOM 788 C THR A 50 8.908 -7.636 16.315 1.00 4.10 C ATOM 789 O THR A 50 9.181 -8.808 16.571 1.00 35.31 O ATOM 790 CB THR A 50 10.750 -6.375 17.432 1.00 35.43 C ATOM 791 OG1 THR A 50 11.353 -6.454 16.136 1.00 52.40 O ATOM 792 CG2 THR A 50 11.331 -7.454 18.334 1.00 73.23 C ATOM 0 H THR A 50 8.499 -7.787 18.823 1.00 75.13 H new ATOM 0 HA THR A 50 8.797 -5.588 16.952 1.00 23.33 H new ATOM 0 HB THR A 50 10.964 -5.401 17.873 1.00 35.43 H new ATOM 0 HG1 THR A 50 12.324 -6.356 16.221 1.00 52.40 H new ATOM 0 HG21 THR A 50 12.411 -7.327 18.404 1.00 73.23 H new ATOM 0 HG22 THR A 50 10.891 -7.373 19.328 1.00 73.23 H new ATOM 0 HG23 THR A 50 11.107 -8.436 17.917 1.00 73.23 H new ATOM 800 N ALA A 51 8.336 -7.258 15.177 1.00 54.01 N ATOM 801 CA ALA A 51 7.988 -8.221 14.140 1.00 64.53 C ATOM 802 C ALA A 51 8.377 -7.705 12.759 1.00 65.55 C ATOM 803 O ALA A 51 8.249 -6.515 12.470 1.00 34.44 O ATOM 804 CB ALA A 51 6.500 -8.536 14.188 1.00 4.40 C ATOM 0 H ALA A 51 8.104 -6.291 14.950 1.00 54.01 H new ATOM 0 HA ALA A 51 8.548 -9.137 14.328 1.00 64.53 H new ATOM 0 HB1 ALA A 51 6.255 -9.257 13.408 1.00 4.40 H new ATOM 0 HB2 ALA A 51 6.248 -8.956 15.162 1.00 4.40 H new ATOM 0 HB3 ALA A 51 5.929 -7.621 14.029 1.00 4.40 H new ATOM 810 N PHE A 52 8.855 -8.608 11.908 1.00 52.22 N ATOM 811 CA PHE A 52 9.265 -8.243 10.557 1.00 74.04 C ATOM 812 C PHE A 52 8.100 -8.379 9.580 1.00 42.41 C ATOM 813 O PHE A 52 7.522 -9.456 9.430 1.00 23.15 O ATOM 814 CB PHE A 52 10.432 -9.120 10.101 1.00 63.43 C ATOM 815 CG PHE A 52 11.750 -8.726 10.704 1.00 11.22 C ATOM 816 CD1 PHE A 52 12.241 -7.439 10.549 1.00 73.45 C ATOM 817 CD2 PHE A 52 12.497 -9.641 11.428 1.00 63.04 C ATOM 818 CE1 PHE A 52 13.453 -7.074 11.102 1.00 22.22 C ATOM 819 CE2 PHE A 52 13.710 -9.281 11.984 1.00 24.41 C ATOM 820 CZ PHE A 52 14.188 -7.996 11.822 1.00 44.21 C ATOM 0 H PHE A 52 8.968 -9.597 12.130 1.00 52.22 H new ATOM 0 HA PHE A 52 9.586 -7.201 10.570 1.00 74.04 H new ATOM 0 HB2 PHE A 52 10.219 -10.157 10.359 1.00 63.43 H new ATOM 0 HB3 PHE A 52 10.510 -9.072 9.015 1.00 63.43 H new ATOM 0 HD1 PHE A 52 11.669 -6.713 9.989 1.00 73.45 H new ATOM 0 HD2 PHE A 52 12.127 -10.647 11.559 1.00 63.04 H new ATOM 0 HE1 PHE A 52 13.826 -6.069 10.972 1.00 22.22 H new ATOM 0 HE2 PHE A 52 14.283 -10.004 12.545 1.00 24.41 H new ATOM 0 HZ PHE A 52 15.135 -7.712 12.257 1.00 44.21 H new ATOM 830 N LEU A 53 7.761 -7.278 8.917 1.00 35.45 N ATOM 831 CA LEU A 53 6.665 -7.273 7.955 1.00 54.44 C ATOM 832 C LEU A 53 6.961 -6.323 6.798 1.00 32.31 C ATOM 833 O LEU A 53 7.330 -5.169 7.008 1.00 12.33 O ATOM 834 CB LEU A 53 5.359 -6.867 8.641 1.00 71.12 C ATOM 835 CG LEU A 53 5.090 -7.507 10.003 1.00 11.23 C ATOM 836 CD1 LEU A 53 4.013 -6.736 10.752 1.00 63.24 C ATOM 837 CD2 LEU A 53 4.687 -8.965 9.838 1.00 40.14 C ATOM 0 H LEU A 53 8.229 -6.379 9.028 1.00 35.45 H new ATOM 0 HA LEU A 53 6.560 -8.282 7.556 1.00 54.44 H new ATOM 0 HB2 LEU A 53 5.358 -5.784 8.764 1.00 71.12 H new ATOM 0 HB3 LEU A 53 4.531 -7.113 7.976 1.00 71.12 H new ATOM 0 HG LEU A 53 6.009 -7.469 10.588 1.00 11.23 H new ATOM 0 HD11 LEU A 53 3.835 -7.206 11.719 1.00 63.24 H new ATOM 0 HD12 LEU A 53 4.341 -5.707 10.903 1.00 63.24 H new ATOM 0 HD13 LEU A 53 3.091 -6.741 10.171 1.00 63.24 H new ATOM 0 HD21 LEU A 53 4.500 -9.404 10.818 1.00 40.14 H new ATOM 0 HD22 LEU A 53 3.782 -9.026 9.234 1.00 40.14 H new ATOM 0 HD23 LEU A 53 5.491 -9.511 9.344 1.00 40.14 H new ATOM 849 N GLY A 54 6.794 -6.818 5.575 1.00 22.12 N ATOM 850 CA GLY A 54 7.046 -6.000 4.403 1.00 20.03 C ATOM 851 C GLY A 54 6.197 -4.745 4.379 1.00 11.42 C ATOM 852 O GLY A 54 5.352 -4.524 5.247 1.00 73.41 O ATOM 0 H GLY A 54 6.489 -7.771 5.375 1.00 22.12 H new ATOM 0 HA2 GLY A 54 8.100 -5.723 4.377 1.00 20.03 H new ATOM 0 HA3 GLY A 54 6.848 -6.586 3.505 1.00 20.03 H new ATOM 856 N PRO A 55 6.420 -3.894 3.366 1.00 31.04 N ATOM 857 CA PRO A 55 5.679 -2.639 3.209 1.00 3.22 C ATOM 858 C PRO A 55 4.222 -2.870 2.824 1.00 42.24 C ATOM 859 O PRO A 55 3.337 -2.109 3.216 1.00 60.12 O ATOM 860 CB PRO A 55 6.425 -1.926 2.078 1.00 21.13 C ATOM 861 CG PRO A 55 7.067 -3.021 1.299 1.00 62.42 C ATOM 862 CD PRO A 55 7.412 -4.092 2.296 1.00 32.53 C ATOM 0 HA PRO A 55 5.640 -2.070 4.138 1.00 3.22 H new ATOM 0 HB2 PRO A 55 5.742 -1.346 1.457 1.00 21.13 H new ATOM 0 HB3 PRO A 55 7.168 -1.231 2.470 1.00 21.13 H new ATOM 0 HG2 PRO A 55 6.391 -3.403 0.534 1.00 62.42 H new ATOM 0 HG3 PRO A 55 7.960 -2.663 0.786 1.00 62.42 H new ATOM 0 HD2 PRO A 55 7.338 -5.087 1.858 1.00 32.53 H new ATOM 0 HD3 PRO A 55 8.431 -3.982 2.667 1.00 32.53 H new ATOM 870 N LYS A 56 3.979 -3.925 2.053 1.00 10.42 N ATOM 871 CA LYS A 56 2.629 -4.258 1.615 1.00 13.14 C ATOM 872 C LYS A 56 1.799 -4.800 2.775 1.00 51.31 C ATOM 873 O LYS A 56 0.587 -4.977 2.654 1.00 54.44 O ATOM 874 CB LYS A 56 2.677 -5.287 0.484 1.00 73.21 C ATOM 875 CG LYS A 56 3.481 -4.830 -0.720 1.00 63.05 C ATOM 876 CD LYS A 56 3.778 -5.984 -1.664 1.00 13.13 C ATOM 877 CE LYS A 56 2.585 -6.297 -2.554 1.00 13.22 C ATOM 878 NZ LYS A 56 2.256 -5.162 -3.461 1.00 25.04 N ATOM 0 H LYS A 56 4.700 -4.564 1.719 1.00 10.42 H new ATOM 0 HA LYS A 56 2.157 -3.346 1.248 1.00 13.14 H new ATOM 0 HB2 LYS A 56 3.105 -6.214 0.865 1.00 73.21 H new ATOM 0 HB3 LYS A 56 1.659 -5.513 0.166 1.00 73.21 H new ATOM 0 HG2 LYS A 56 2.930 -4.055 -1.253 1.00 63.05 H new ATOM 0 HG3 LYS A 56 4.417 -4.383 -0.385 1.00 63.05 H new ATOM 0 HD2 LYS A 56 4.640 -5.736 -2.283 1.00 13.13 H new ATOM 0 HD3 LYS A 56 4.044 -6.869 -1.086 1.00 13.13 H new ATOM 0 HE2 LYS A 56 2.798 -7.186 -3.148 1.00 13.22 H new ATOM 0 HE3 LYS A 56 1.720 -6.528 -1.933 1.00 13.22 H new ATOM 0 HZ1 LYS A 56 2.032 -5.528 -4.408 1.00 25.04 H new ATOM 0 HZ2 LYS A 56 1.435 -4.645 -3.086 1.00 25.04 H new ATOM 0 HZ3 LYS A 56 3.071 -4.519 -3.522 1.00 25.04 H new ATOM 892 N ASP A 57 2.459 -5.060 3.898 1.00 41.21 N ATOM 893 CA ASP A 57 1.782 -5.579 5.080 1.00 34.14 C ATOM 894 C ASP A 57 1.492 -4.460 6.076 1.00 24.22 C ATOM 895 O ASP A 57 0.534 -4.533 6.845 1.00 35.22 O ATOM 896 CB ASP A 57 2.630 -6.664 5.745 1.00 3.24 C ATOM 897 CG ASP A 57 2.329 -8.048 5.204 1.00 2.41 C ATOM 898 OD1 ASP A 57 2.712 -8.329 4.049 1.00 1.34 O ATOM 899 OD2 ASP A 57 1.710 -8.849 5.935 1.00 72.12 O ATOM 0 H ASP A 57 3.463 -4.920 4.014 1.00 41.21 H new ATOM 0 HA ASP A 57 0.834 -6.014 4.763 1.00 34.14 H new ATOM 0 HB2 ASP A 57 3.686 -6.440 5.593 1.00 3.24 H new ATOM 0 HB3 ASP A 57 2.453 -6.651 6.820 1.00 3.24 H new ATOM 904 N ILE A 58 2.328 -3.427 6.057 1.00 71.23 N ATOM 905 CA ILE A 58 2.161 -2.294 6.958 1.00 45.43 C ATOM 906 C ILE A 58 1.418 -1.152 6.273 1.00 12.22 C ATOM 907 O ILE A 58 1.697 -0.817 5.122 1.00 72.03 O ATOM 908 CB ILE A 58 3.519 -1.775 7.467 1.00 44.24 C ATOM 909 CG1 ILE A 58 4.447 -1.469 6.289 1.00 51.12 C ATOM 910 CG2 ILE A 58 4.158 -2.791 8.401 1.00 64.31 C ATOM 911 CD1 ILE A 58 5.744 -0.806 6.697 1.00 14.22 C ATOM 0 H ILE A 58 3.127 -3.352 5.428 1.00 71.23 H new ATOM 0 HA ILE A 58 1.575 -2.649 7.806 1.00 45.43 H new ATOM 0 HB ILE A 58 3.353 -0.853 8.024 1.00 44.24 H new ATOM 0 HG12 ILE A 58 4.672 -2.397 5.764 1.00 51.12 H new ATOM 0 HG13 ILE A 58 3.924 -0.823 5.584 1.00 51.12 H new ATOM 0 HG21 ILE A 58 5.117 -2.410 8.752 1.00 64.31 H new ATOM 0 HG22 ILE A 58 3.502 -2.964 9.254 1.00 64.31 H new ATOM 0 HG23 ILE A 58 4.314 -3.728 7.867 1.00 64.31 H new ATOM 0 HD11 ILE A 58 6.351 -0.619 5.811 1.00 14.22 H new ATOM 0 HD12 ILE A 58 5.528 0.139 7.195 1.00 14.22 H new ATOM 0 HD13 ILE A 58 6.288 -1.460 7.379 1.00 14.22 H new ATOM 923 N PHE A 59 0.471 -0.556 6.990 1.00 12.02 N ATOM 924 CA PHE A 59 -0.313 0.550 6.453 1.00 73.25 C ATOM 925 C PHE A 59 -0.085 1.823 7.263 1.00 72.34 C ATOM 926 O PHE A 59 0.387 1.789 8.399 1.00 14.13 O ATOM 927 CB PHE A 59 -1.801 0.194 6.449 1.00 33.43 C ATOM 928 CG PHE A 59 -2.283 -0.356 5.137 1.00 14.41 C ATOM 929 CD1 PHE A 59 -1.888 -1.613 4.710 1.00 3.01 C ATOM 930 CD2 PHE A 59 -3.133 0.385 4.331 1.00 44.10 C ATOM 931 CE1 PHE A 59 -2.329 -2.120 3.503 1.00 73.33 C ATOM 932 CE2 PHE A 59 -3.578 -0.117 3.123 1.00 62.23 C ATOM 933 CZ PHE A 59 -3.176 -1.372 2.709 1.00 73.14 C ATOM 0 H PHE A 59 0.228 -0.821 7.945 1.00 12.02 H new ATOM 0 HA PHE A 59 0.013 0.729 5.429 1.00 73.25 H new ATOM 0 HB2 PHE A 59 -1.993 -0.538 7.233 1.00 33.43 H new ATOM 0 HB3 PHE A 59 -2.380 1.084 6.695 1.00 33.43 H new ATOM 0 HD1 PHE A 59 -1.228 -2.204 5.328 1.00 3.01 H new ATOM 0 HD2 PHE A 59 -3.451 1.366 4.651 1.00 44.10 H new ATOM 0 HE1 PHE A 59 -2.012 -3.101 3.181 1.00 73.33 H new ATOM 0 HE2 PHE A 59 -4.239 0.471 2.504 1.00 62.23 H new ATOM 0 HZ PHE A 59 -3.523 -1.768 1.766 1.00 73.14 H new ATOM 943 N PRO A 60 -0.427 2.973 6.664 1.00 13.44 N ATOM 944 CA PRO A 60 -0.269 4.279 7.311 1.00 12.32 C ATOM 945 C PRO A 60 -1.245 4.476 8.466 1.00 1.13 C ATOM 946 O PRO A 60 -2.455 4.314 8.304 1.00 3.52 O ATOM 947 CB PRO A 60 -0.567 5.272 6.184 1.00 35.44 C ATOM 948 CG PRO A 60 -1.444 4.522 5.241 1.00 23.24 C ATOM 949 CD PRO A 60 -0.995 3.088 5.311 1.00 54.13 C ATOM 0 HA PRO A 60 0.721 4.398 7.752 1.00 12.32 H new ATOM 0 HB2 PRO A 60 -1.065 6.164 6.564 1.00 35.44 H new ATOM 0 HB3 PRO A 60 0.349 5.602 5.695 1.00 35.44 H new ATOM 0 HG2 PRO A 60 -2.492 4.617 5.523 1.00 23.24 H new ATOM 0 HG3 PRO A 60 -1.350 4.911 4.227 1.00 23.24 H new ATOM 0 HD2 PRO A 60 -1.827 2.399 5.165 1.00 54.13 H new ATOM 0 HD3 PRO A 60 -0.255 2.861 4.544 1.00 54.13 H new ATOM 957 N TYR A 61 -0.712 4.826 9.632 1.00 61.14 N ATOM 958 CA TYR A 61 -1.536 5.043 10.815 1.00 70.23 C ATOM 959 C TYR A 61 -2.454 6.247 10.626 1.00 5.12 C ATOM 960 O TYR A 61 -3.400 6.446 11.388 1.00 70.23 O ATOM 961 CB TYR A 61 -0.653 5.248 12.047 1.00 42.34 C ATOM 962 CG TYR A 61 -0.367 6.701 12.351 1.00 10.41 C ATOM 963 CD1 TYR A 61 0.449 7.459 11.520 1.00 72.32 C ATOM 964 CD2 TYR A 61 -0.914 7.317 13.470 1.00 0.52 C ATOM 965 CE1 TYR A 61 0.713 8.786 11.795 1.00 41.42 C ATOM 966 CE2 TYR A 61 -0.656 8.645 13.752 1.00 13.12 C ATOM 967 CZ TYR A 61 0.158 9.375 12.912 1.00 42.11 C ATOM 968 OH TYR A 61 0.418 10.698 13.189 1.00 71.25 O ATOM 0 H TYR A 61 0.287 4.965 9.783 1.00 61.14 H new ATOM 0 HA TYR A 61 -2.154 4.158 10.963 1.00 70.23 H new ATOM 0 HB2 TYR A 61 -1.138 4.793 12.911 1.00 42.34 H new ATOM 0 HB3 TYR A 61 0.291 4.724 11.898 1.00 42.34 H new ATOM 0 HD1 TYR A 61 0.884 7.002 10.644 1.00 72.32 H new ATOM 0 HD2 TYR A 61 -1.552 6.748 14.131 1.00 0.52 H new ATOM 0 HE1 TYR A 61 1.351 9.360 11.139 1.00 41.42 H new ATOM 0 HE2 TYR A 61 -1.090 9.109 14.626 1.00 13.12 H new ATOM 0 HH TYR A 61 -0.050 10.958 14.010 1.00 71.25 H new ATOM 978 N SER A 62 -2.166 7.048 9.605 1.00 22.20 N ATOM 979 CA SER A 62 -2.962 8.235 9.317 1.00 60.14 C ATOM 980 C SER A 62 -4.383 7.851 8.913 1.00 4.54 C ATOM 981 O SER A 62 -5.294 8.678 8.951 1.00 64.23 O ATOM 982 CB SER A 62 -2.308 9.056 8.204 1.00 63.44 C ATOM 983 OG SER A 62 -2.712 10.412 8.265 1.00 10.43 O ATOM 0 H SER A 62 -1.387 6.896 8.964 1.00 22.20 H new ATOM 0 HA SER A 62 -3.011 8.839 10.223 1.00 60.14 H new ATOM 0 HB2 SER A 62 -1.223 8.992 8.291 1.00 63.44 H new ATOM 0 HB3 SER A 62 -2.575 8.637 7.234 1.00 63.44 H new ATOM 0 HG SER A 62 -2.279 10.915 7.544 1.00 10.43 H new ATOM 989 N GLU A 63 -4.562 6.592 8.528 1.00 71.10 N ATOM 990 CA GLU A 63 -5.871 6.099 8.117 1.00 73.22 C ATOM 991 C GLU A 63 -6.610 5.470 9.294 1.00 33.25 C ATOM 992 O GLU A 63 -7.825 5.611 9.425 1.00 74.52 O ATOM 993 CB GLU A 63 -5.724 5.076 6.988 1.00 53.30 C ATOM 994 CG GLU A 63 -5.652 5.702 5.605 1.00 11.33 C ATOM 995 CD GLU A 63 -7.020 5.893 4.979 1.00 61.40 C ATOM 996 OE1 GLU A 63 -7.581 4.902 4.465 1.00 1.52 O ATOM 997 OE2 GLU A 63 -7.529 7.033 5.003 1.00 33.22 O ATOM 0 H GLU A 63 -3.818 5.895 8.492 1.00 71.10 H new ATOM 0 HA GLU A 63 -6.453 6.947 7.756 1.00 73.22 H new ATOM 0 HB2 GLU A 63 -4.823 4.487 7.158 1.00 53.30 H new ATOM 0 HB3 GLU A 63 -6.567 4.386 7.022 1.00 53.30 H new ATOM 0 HG2 GLU A 63 -5.150 6.667 5.673 1.00 11.33 H new ATOM 0 HG3 GLU A 63 -5.044 5.071 4.956 1.00 11.33 H new ATOM 1004 N ASN A 64 -5.866 4.775 10.149 1.00 15.13 N ATOM 1005 CA ASN A 64 -6.450 4.123 11.316 1.00 54.12 C ATOM 1006 C ASN A 64 -6.697 5.130 12.435 1.00 23.13 C ATOM 1007 O ASN A 64 -7.743 5.110 13.084 1.00 2.53 O ATOM 1008 CB ASN A 64 -5.533 3.004 11.813 1.00 2.54 C ATOM 1009 CG ASN A 64 -5.329 1.918 10.775 1.00 54.53 C ATOM 1010 OD1 ASN A 64 -4.357 1.940 10.020 1.00 51.21 O ATOM 1011 ND2 ASN A 64 -6.249 0.961 10.732 1.00 50.42 N ATOM 0 H ASN A 64 -4.858 4.649 10.056 1.00 15.13 H new ATOM 0 HA ASN A 64 -7.407 3.694 11.021 1.00 54.12 H new ATOM 0 HB2 ASN A 64 -4.566 3.426 12.088 1.00 2.54 H new ATOM 0 HB3 ASN A 64 -5.957 2.565 12.716 1.00 2.54 H new ATOM 0 HD21 ASN A 64 -6.166 0.204 10.053 1.00 50.42 H new ATOM 0 HD22 ASN A 64 -7.038 0.983 11.378 1.00 50.42 H new ATOM 1018 N LYS A 65 -5.726 6.010 12.656 1.00 20.12 N ATOM 1019 CA LYS A 65 -5.836 7.027 13.695 1.00 33.34 C ATOM 1020 C LYS A 65 -7.097 7.864 13.506 1.00 33.31 C ATOM 1021 O LYS A 65 -7.665 8.373 14.472 1.00 50.35 O ATOM 1022 CB LYS A 65 -4.603 7.933 13.684 1.00 53.13 C ATOM 1023 CG LYS A 65 -4.597 8.936 12.543 1.00 3.43 C ATOM 1024 CD LYS A 65 -3.382 9.847 12.608 1.00 23.44 C ATOM 1025 CE LYS A 65 -3.651 11.185 11.938 1.00 73.12 C ATOM 1026 NZ LYS A 65 -4.507 12.065 12.781 1.00 40.23 N ATOM 0 H LYS A 65 -4.853 6.039 12.129 1.00 20.12 H new ATOM 0 HA LYS A 65 -5.898 6.521 14.658 1.00 33.34 H new ATOM 0 HB2 LYS A 65 -4.549 8.471 14.630 1.00 53.13 H new ATOM 0 HB3 LYS A 65 -3.708 7.314 13.618 1.00 53.13 H new ATOM 0 HG2 LYS A 65 -4.605 8.405 11.591 1.00 3.43 H new ATOM 0 HG3 LYS A 65 -5.506 9.537 12.580 1.00 3.43 H new ATOM 0 HD2 LYS A 65 -3.104 10.010 13.649 1.00 23.44 H new ATOM 0 HD3 LYS A 65 -2.535 9.361 12.124 1.00 23.44 H new ATOM 0 HE2 LYS A 65 -2.705 11.686 11.734 1.00 73.12 H new ATOM 0 HE3 LYS A 65 -4.137 11.019 10.977 1.00 73.12 H new ATOM 0 HZ1 LYS A 65 -4.515 13.026 12.383 1.00 40.23 H new ATOM 0 HZ2 LYS A 65 -5.477 11.690 12.801 1.00 40.23 H new ATOM 0 HZ3 LYS A 65 -4.127 12.095 13.749 1.00 40.23 H new ATOM 1040 N GLU A 66 -7.530 7.999 12.256 1.00 11.44 N ATOM 1041 CA GLU A 66 -8.725 8.774 11.942 1.00 2.34 C ATOM 1042 C GLU A 66 -9.984 7.936 12.139 1.00 74.55 C ATOM 1043 O GLU A 66 -11.086 8.470 12.268 1.00 32.41 O ATOM 1044 CB GLU A 66 -8.661 9.290 10.503 1.00 14.23 C ATOM 1045 CG GLU A 66 -9.924 10.009 10.058 1.00 3.54 C ATOM 1046 CD GLU A 66 -10.337 11.109 11.017 1.00 35.13 C ATOM 1047 OE1 GLU A 66 -9.502 11.993 11.301 1.00 12.01 O ATOM 1048 OE2 GLU A 66 -11.495 11.085 11.484 1.00 54.20 O ATOM 0 H GLU A 66 -7.072 7.582 11.446 1.00 11.44 H new ATOM 0 HA GLU A 66 -8.766 9.624 12.623 1.00 2.34 H new ATOM 0 HB2 GLU A 66 -7.813 9.969 10.406 1.00 14.23 H new ATOM 0 HB3 GLU A 66 -8.475 8.451 9.833 1.00 14.23 H new ATOM 0 HG2 GLU A 66 -9.765 10.436 9.068 1.00 3.54 H new ATOM 0 HG3 GLU A 66 -10.736 9.287 9.967 1.00 3.54 H new ATOM 1055 N LYS A 67 -9.813 6.618 12.159 1.00 55.03 N ATOM 1056 CA LYS A 67 -10.934 5.703 12.340 1.00 55.35 C ATOM 1057 C LYS A 67 -11.401 5.694 13.792 1.00 43.32 C ATOM 1058 O LYS A 67 -12.551 6.020 14.087 1.00 42.24 O ATOM 1059 CB LYS A 67 -10.539 4.288 11.911 1.00 0.30 C ATOM 1060 CG LYS A 67 -10.309 4.147 10.416 1.00 14.32 C ATOM 1061 CD LYS A 67 -11.565 3.679 9.701 1.00 74.11 C ATOM 1062 CE LYS A 67 -11.743 2.173 9.815 1.00 32.35 C ATOM 1063 NZ LYS A 67 -10.921 1.439 8.813 1.00 13.33 N ATOM 0 H LYS A 67 -8.908 6.160 12.052 1.00 55.03 H new ATOM 0 HA LYS A 67 -11.757 6.049 11.715 1.00 55.35 H new ATOM 0 HB2 LYS A 67 -9.631 3.998 12.439 1.00 0.30 H new ATOM 0 HB3 LYS A 67 -11.321 3.593 12.217 1.00 0.30 H new ATOM 0 HG2 LYS A 67 -9.990 5.104 10.004 1.00 14.32 H new ATOM 0 HG3 LYS A 67 -9.501 3.438 10.236 1.00 14.32 H new ATOM 0 HD2 LYS A 67 -12.435 4.182 10.124 1.00 74.11 H new ATOM 0 HD3 LYS A 67 -11.513 3.962 8.650 1.00 74.11 H new ATOM 0 HE2 LYS A 67 -11.466 1.850 10.818 1.00 32.35 H new ATOM 0 HE3 LYS A 67 -12.794 1.920 9.677 1.00 32.35 H new ATOM 0 HZ1 LYS A 67 -11.071 0.416 8.924 1.00 13.33 H new ATOM 0 HZ2 LYS A 67 -11.202 1.728 7.854 1.00 13.33 H new ATOM 0 HZ3 LYS A 67 -9.915 1.660 8.960 1.00 13.33 H new ATOM 1077 N TYR A 68 -10.501 5.321 14.695 1.00 61.12 N ATOM 1078 CA TYR A 68 -10.821 5.269 16.116 1.00 22.04 C ATOM 1079 C TYR A 68 -9.761 5.994 16.940 1.00 11.21 C ATOM 1080 O TYR A 68 -10.026 6.449 18.052 1.00 55.31 O ATOM 1081 CB TYR A 68 -10.938 3.817 16.581 1.00 35.54 C ATOM 1082 CG TYR A 68 -11.069 2.826 15.446 1.00 11.14 C ATOM 1083 CD1 TYR A 68 -12.307 2.547 14.881 1.00 61.33 C ATOM 1084 CD2 TYR A 68 -9.954 2.170 14.939 1.00 0.21 C ATOM 1085 CE1 TYR A 68 -12.431 1.642 13.844 1.00 23.03 C ATOM 1086 CE2 TYR A 68 -10.068 1.265 13.902 1.00 72.02 C ATOM 1087 CZ TYR A 68 -11.309 1.004 13.358 1.00 23.11 C ATOM 1088 OH TYR A 68 -11.428 0.103 12.325 1.00 43.02 O ATOM 0 H TYR A 68 -9.544 5.050 14.468 1.00 61.12 H new ATOM 0 HA TYR A 68 -11.777 5.770 16.265 1.00 22.04 H new ATOM 0 HB2 TYR A 68 -10.060 3.563 17.175 1.00 35.54 H new ATOM 0 HB3 TYR A 68 -11.804 3.723 17.236 1.00 35.54 H new ATOM 0 HD1 TYR A 68 -13.187 3.046 15.259 1.00 61.33 H new ATOM 0 HD2 TYR A 68 -8.981 2.371 15.363 1.00 0.21 H new ATOM 0 HE1 TYR A 68 -13.401 1.435 13.417 1.00 23.03 H new ATOM 0 HE2 TYR A 68 -9.191 0.764 13.519 1.00 72.02 H new ATOM 0 HH TYR A 68 -10.544 -0.256 12.101 1.00 43.02 H new ATOM 1098 N GLY A 69 -8.558 6.098 16.384 1.00 5.25 N ATOM 1099 CA GLY A 69 -7.475 6.769 17.080 1.00 41.21 C ATOM 1100 C GLY A 69 -6.894 5.927 18.198 1.00 63.31 C ATOM 1101 O GLY A 69 -5.804 6.209 18.697 1.00 52.31 O ATOM 0 H GLY A 69 -8.314 5.730 15.465 1.00 5.25 H new ATOM 0 HA2 GLY A 69 -6.687 7.015 16.368 1.00 41.21 H new ATOM 0 HA3 GLY A 69 -7.839 7.711 17.490 1.00 41.21 H new ATOM 1105 N LYS A 70 -7.622 4.889 18.594 1.00 33.25 N ATOM 1106 CA LYS A 70 -7.174 4.002 19.661 1.00 30.42 C ATOM 1107 C LYS A 70 -7.706 2.587 19.452 1.00 12.44 C ATOM 1108 O LYS A 70 -8.729 2.373 18.801 1.00 2.01 O ATOM 1109 CB LYS A 70 -7.631 4.534 21.021 1.00 2.12 C ATOM 1110 CG LYS A 70 -9.128 4.777 21.108 1.00 44.44 C ATOM 1111 CD LYS A 70 -9.873 3.522 21.528 1.00 13.14 C ATOM 1112 CE LYS A 70 -11.268 3.847 22.040 1.00 53.54 C ATOM 1113 NZ LYS A 70 -11.227 4.578 23.336 1.00 13.44 N ATOM 0 H LYS A 70 -8.526 4.641 18.192 1.00 33.25 H new ATOM 0 HA LYS A 70 -6.085 3.969 19.638 1.00 30.42 H new ATOM 0 HB2 LYS A 70 -7.341 3.824 21.795 1.00 2.12 H new ATOM 0 HB3 LYS A 70 -7.107 5.466 21.231 1.00 2.12 H new ATOM 0 HG2 LYS A 70 -9.327 5.576 21.823 1.00 44.44 H new ATOM 0 HG3 LYS A 70 -9.499 5.115 20.141 1.00 44.44 H new ATOM 0 HD2 LYS A 70 -9.945 2.840 20.681 1.00 13.14 H new ATOM 0 HD3 LYS A 70 -9.310 3.006 22.306 1.00 13.14 H new ATOM 0 HE2 LYS A 70 -11.795 4.449 21.300 1.00 53.54 H new ATOM 0 HE3 LYS A 70 -11.834 2.924 22.162 1.00 53.54 H new ATOM 0 HZ1 LYS A 70 -12.146 4.487 23.815 1.00 13.44 H new ATOM 0 HZ2 LYS A 70 -10.481 4.175 23.938 1.00 13.44 H new ATOM 0 HZ3 LYS A 70 -11.026 5.583 23.161 1.00 13.44 H new ATOM 1127 N PRO A 71 -6.999 1.598 20.018 1.00 3.33 N ATOM 1128 CA PRO A 71 -7.383 0.188 19.909 1.00 23.24 C ATOM 1129 C PRO A 71 -8.647 -0.132 20.700 1.00 2.41 C ATOM 1130 O PRO A 71 -8.870 0.416 21.779 1.00 53.13 O ATOM 1131 CB PRO A 71 -6.181 -0.554 20.500 1.00 1.40 C ATOM 1132 CG PRO A 71 -5.548 0.427 21.425 1.00 1.53 C ATOM 1133 CD PRO A 71 -5.770 1.781 20.809 1.00 62.13 C ATOM 0 HA PRO A 71 -7.612 -0.093 18.881 1.00 23.24 H new ATOM 0 HB2 PRO A 71 -6.493 -1.454 21.030 1.00 1.40 H new ATOM 0 HB3 PRO A 71 -5.487 -0.868 19.720 1.00 1.40 H new ATOM 0 HG2 PRO A 71 -5.995 0.372 22.418 1.00 1.53 H new ATOM 0 HG3 PRO A 71 -4.484 0.222 21.543 1.00 1.53 H new ATOM 0 HD2 PRO A 71 -5.892 2.553 21.569 1.00 62.13 H new ATOM 0 HD3 PRO A 71 -4.930 2.080 20.183 1.00 62.13 H new ATOM 1141 N ASN A 72 -9.470 -1.022 20.156 1.00 14.22 N ATOM 1142 CA ASN A 72 -10.713 -1.414 20.812 1.00 62.03 C ATOM 1143 C ASN A 72 -10.534 -2.720 21.580 1.00 4.44 C ATOM 1144 O ASN A 72 -10.768 -2.780 22.788 1.00 55.15 O ATOM 1145 CB ASN A 72 -11.832 -1.566 19.780 1.00 72.22 C ATOM 1146 CG ASN A 72 -12.873 -0.468 19.889 1.00 23.45 C ATOM 1147 OD1 ASN A 72 -12.538 0.713 19.973 1.00 1.41 O ATOM 1148 ND2 ASN A 72 -14.143 -0.855 19.890 1.00 60.42 N ATOM 0 H ASN A 72 -9.299 -1.485 19.263 1.00 14.22 H new ATOM 0 HA ASN A 72 -10.984 -0.631 21.520 1.00 62.03 H new ATOM 0 HB2 ASN A 72 -11.402 -1.557 18.778 1.00 72.22 H new ATOM 0 HB3 ASN A 72 -12.314 -2.535 19.911 1.00 72.22 H new ATOM 0 HD21 ASN A 72 -14.887 -0.161 19.962 1.00 60.42 H new ATOM 0 HD22 ASN A 72 -14.374 -1.846 19.818 1.00 60.42 H new ATOM 1155 N LYS A 73 -10.115 -3.764 20.873 1.00 53.31 N ATOM 1156 CA LYS A 73 -9.902 -5.069 21.487 1.00 11.21 C ATOM 1157 C LYS A 73 -8.449 -5.509 21.338 1.00 34.42 C ATOM 1158 O LYS A 73 -8.161 -6.700 21.218 1.00 34.33 O ATOM 1159 CB LYS A 73 -10.829 -6.110 20.856 1.00 52.00 C ATOM 1160 CG LYS A 73 -11.034 -7.344 21.718 1.00 54.32 C ATOM 1161 CD LYS A 73 -12.496 -7.528 22.089 1.00 53.03 C ATOM 1162 CE LYS A 73 -12.648 -8.289 23.397 1.00 62.11 C ATOM 1163 NZ LYS A 73 -13.137 -9.678 23.177 1.00 60.32 N ATOM 0 H LYS A 73 -9.916 -3.731 19.873 1.00 53.31 H new ATOM 0 HA LYS A 73 -10.131 -4.985 22.549 1.00 11.21 H new ATOM 0 HB2 LYS A 73 -11.797 -5.650 20.659 1.00 52.00 H new ATOM 0 HB3 LYS A 73 -10.418 -6.414 19.893 1.00 52.00 H new ATOM 0 HG2 LYS A 73 -10.680 -8.225 21.183 1.00 54.32 H new ATOM 0 HG3 LYS A 73 -10.435 -7.259 22.625 1.00 54.32 H new ATOM 0 HD2 LYS A 73 -12.976 -6.553 22.176 1.00 53.03 H new ATOM 0 HD3 LYS A 73 -13.010 -8.066 21.292 1.00 53.03 H new ATOM 0 HE2 LYS A 73 -11.688 -8.319 23.913 1.00 62.11 H new ATOM 0 HE3 LYS A 73 -13.343 -7.758 24.047 1.00 62.11 H new ATOM 0 HZ1 LYS A 73 -13.227 -10.163 24.092 1.00 60.32 H new ATOM 0 HZ2 LYS A 73 -14.064 -9.649 22.707 1.00 60.32 H new ATOM 0 HZ3 LYS A 73 -12.461 -10.193 22.577 1.00 60.32 H new ATOM 1177 N ARG A 74 -7.538 -4.542 21.348 1.00 54.20 N ATOM 1178 CA ARG A 74 -6.116 -4.831 21.214 1.00 4.32 C ATOM 1179 C ARG A 74 -5.429 -4.821 22.577 1.00 65.33 C ATOM 1180 O ARG A 74 -5.495 -3.836 23.311 1.00 13.43 O ATOM 1181 CB ARG A 74 -5.451 -3.810 20.289 1.00 40.31 C ATOM 1182 CG ARG A 74 -6.313 -3.411 19.102 1.00 32.24 C ATOM 1183 CD ARG A 74 -6.550 -4.586 18.166 1.00 11.13 C ATOM 1184 NE ARG A 74 -6.994 -4.152 16.845 1.00 51.45 N ATOM 1185 CZ ARG A 74 -8.255 -3.849 16.556 1.00 42.54 C ATOM 1186 NH1 ARG A 74 -9.191 -3.932 17.491 1.00 51.53 N ATOM 1187 NH2 ARG A 74 -8.581 -3.461 15.329 1.00 1.12 N ATOM 0 H ARG A 74 -7.760 -3.551 21.448 1.00 54.20 H new ATOM 0 HA ARG A 74 -6.012 -5.826 20.780 1.00 4.32 H new ATOM 0 HB2 ARG A 74 -5.204 -2.918 20.864 1.00 40.31 H new ATOM 0 HB3 ARG A 74 -4.511 -4.223 19.922 1.00 40.31 H new ATOM 0 HG2 ARG A 74 -7.270 -3.029 19.458 1.00 32.24 H new ATOM 0 HG3 ARG A 74 -5.830 -2.601 18.556 1.00 32.24 H new ATOM 0 HD2 ARG A 74 -5.630 -5.163 18.068 1.00 11.13 H new ATOM 0 HD3 ARG A 74 -7.298 -5.250 18.600 1.00 11.13 H new ATOM 0 HE ARG A 74 -6.298 -4.077 16.103 1.00 51.45 H new ATOM 0 HH11 ARG A 74 -8.944 -4.229 18.435 1.00 51.53 H new ATOM 0 HH12 ARG A 74 -10.158 -3.699 17.266 1.00 51.53 H new ATOM 0 HH21 ARG A 74 -7.863 -3.395 14.607 1.00 1.12 H new ATOM 0 HH22 ARG A 74 -9.549 -3.229 15.108 1.00 1.12 H new ATOM 1201 N LYS A 75 -4.769 -5.926 22.908 1.00 4.12 N ATOM 1202 CA LYS A 75 -4.068 -6.046 24.181 1.00 32.24 C ATOM 1203 C LYS A 75 -2.913 -5.054 24.262 1.00 25.05 C ATOM 1204 O LYS A 75 -2.075 -4.987 23.364 1.00 22.20 O ATOM 1205 CB LYS A 75 -3.544 -7.472 24.366 1.00 70.12 C ATOM 1206 CG LYS A 75 -4.573 -8.429 24.943 1.00 53.34 C ATOM 1207 CD LYS A 75 -5.463 -9.011 23.857 1.00 21.33 C ATOM 1208 CE LYS A 75 -6.190 -10.256 24.342 1.00 72.34 C ATOM 1209 NZ LYS A 75 -7.459 -10.483 23.595 1.00 24.30 N ATOM 0 H LYS A 75 -4.705 -6.751 22.312 1.00 4.12 H new ATOM 0 HA LYS A 75 -4.775 -5.819 24.979 1.00 32.24 H new ATOM 0 HB2 LYS A 75 -3.206 -7.853 23.403 1.00 70.12 H new ATOM 0 HB3 LYS A 75 -2.674 -7.448 25.023 1.00 70.12 H new ATOM 0 HG2 LYS A 75 -4.065 -9.237 25.470 1.00 53.34 H new ATOM 0 HG3 LYS A 75 -5.187 -7.906 25.676 1.00 53.34 H new ATOM 0 HD2 LYS A 75 -6.190 -8.263 23.541 1.00 21.33 H new ATOM 0 HD3 LYS A 75 -4.860 -9.258 22.983 1.00 21.33 H new ATOM 0 HE2 LYS A 75 -5.541 -11.124 24.227 1.00 72.34 H new ATOM 0 HE3 LYS A 75 -6.407 -10.159 25.406 1.00 72.34 H new ATOM 0 HZ1 LYS A 75 -7.925 -11.340 23.955 1.00 24.30 H new ATOM 0 HZ2 LYS A 75 -8.089 -9.666 23.725 1.00 24.30 H new ATOM 0 HZ3 LYS A 75 -7.250 -10.601 22.583 1.00 24.30 H new ATOM 1223 N GLY A 76 -2.873 -4.285 25.347 1.00 72.23 N ATOM 1224 CA GLY A 76 -1.815 -3.308 25.525 1.00 32.12 C ATOM 1225 C GLY A 76 -2.273 -1.896 25.221 1.00 51.45 C ATOM 1226 O GLY A 76 -1.454 -1.007 24.985 1.00 52.13 O ATOM 0 H GLY A 76 -3.554 -4.322 26.105 1.00 72.23 H new ATOM 0 HA2 GLY A 76 -1.450 -3.355 26.551 1.00 32.12 H new ATOM 0 HA3 GLY A 76 -0.977 -3.562 24.876 1.00 32.12 H new ATOM 1230 N PHE A 77 -3.586 -1.687 25.224 1.00 64.14 N ATOM 1231 CA PHE A 77 -4.152 -0.373 24.943 1.00 44.23 C ATOM 1232 C PHE A 77 -3.811 0.615 26.055 1.00 74.20 C ATOM 1233 O PHE A 77 -3.627 0.228 27.208 1.00 62.20 O ATOM 1234 CB PHE A 77 -5.670 -0.472 24.780 1.00 23.10 C ATOM 1235 CG PHE A 77 -6.393 -0.758 26.065 1.00 22.40 C ATOM 1236 CD1 PHE A 77 -6.540 -2.060 26.518 1.00 44.24 C ATOM 1237 CD2 PHE A 77 -6.925 0.274 26.821 1.00 73.34 C ATOM 1238 CE1 PHE A 77 -7.205 -2.326 27.699 1.00 13.12 C ATOM 1239 CE2 PHE A 77 -7.592 0.014 28.003 1.00 24.34 C ATOM 1240 CZ PHE A 77 -7.731 -1.288 28.444 1.00 42.24 C ATOM 0 H PHE A 77 -4.278 -2.411 25.418 1.00 64.14 H new ATOM 0 HA PHE A 77 -3.717 -0.009 24.012 1.00 44.23 H new ATOM 0 HB2 PHE A 77 -6.044 0.462 24.362 1.00 23.10 H new ATOM 0 HB3 PHE A 77 -5.900 -1.258 24.060 1.00 23.10 H new ATOM 0 HD1 PHE A 77 -6.130 -2.876 25.941 1.00 44.24 H new ATOM 0 HD2 PHE A 77 -6.817 1.294 26.482 1.00 73.34 H new ATOM 0 HE1 PHE A 77 -7.314 -3.345 28.040 1.00 13.12 H new ATOM 0 HE2 PHE A 77 -8.004 0.828 28.581 1.00 24.34 H new ATOM 0 HZ PHE A 77 -8.250 -1.494 29.369 1.00 42.24 H new ATOM 1250 N ASN A 78 -3.730 1.893 25.699 1.00 61.31 N ATOM 1251 CA ASN A 78 -3.411 2.937 26.666 1.00 62.21 C ATOM 1252 C ASN A 78 -2.020 2.725 27.256 1.00 43.23 C ATOM 1253 O ASN A 78 -1.713 3.222 28.339 1.00 64.32 O ATOM 1254 CB ASN A 78 -4.454 2.960 27.785 1.00 25.03 C ATOM 1255 CG ASN A 78 -5.023 4.346 28.016 1.00 12.31 C ATOM 1256 OD1 ASN A 78 -5.125 4.806 29.154 1.00 51.25 O ATOM 1257 ND2 ASN A 78 -5.398 5.019 26.934 1.00 11.45 N ATOM 0 H ASN A 78 -3.881 2.230 24.748 1.00 61.31 H new ATOM 0 HA ASN A 78 -3.424 3.895 26.147 1.00 62.21 H new ATOM 0 HB2 ASN A 78 -5.264 2.274 27.537 1.00 25.03 H new ATOM 0 HB3 ASN A 78 -4.001 2.598 28.708 1.00 25.03 H new ATOM 0 HD21 ASN A 78 -5.789 5.957 27.027 1.00 11.45 H new ATOM 0 HD22 ASN A 78 -5.295 4.598 26.011 1.00 11.45 H new ATOM 1264 N GLU A 79 -1.183 1.985 26.534 1.00 13.34 N ATOM 1265 CA GLU A 79 0.175 1.708 26.987 1.00 11.21 C ATOM 1266 C GLU A 79 1.193 2.491 26.164 1.00 42.45 C ATOM 1267 O GLU A 79 2.274 1.992 25.855 1.00 63.01 O ATOM 1268 CB GLU A 79 0.472 0.210 26.894 1.00 35.02 C ATOM 1269 CG GLU A 79 -0.500 -0.653 27.682 1.00 52.23 C ATOM 1270 CD GLU A 79 -0.592 -0.246 29.139 1.00 14.25 C ATOM 1271 OE1 GLU A 79 0.457 -0.218 29.816 1.00 52.43 O ATOM 1272 OE2 GLU A 79 -1.715 0.045 29.604 1.00 61.23 O ATOM 0 H GLU A 79 -1.422 1.567 25.634 1.00 13.34 H new ATOM 0 HA GLU A 79 0.255 2.023 28.027 1.00 11.21 H new ATOM 0 HB2 GLU A 79 0.447 -0.093 25.847 1.00 35.02 H new ATOM 0 HB3 GLU A 79 1.484 0.026 27.255 1.00 35.02 H new ATOM 0 HG2 GLU A 79 -1.489 -0.588 27.227 1.00 52.23 H new ATOM 0 HG3 GLU A 79 -0.188 -1.695 27.619 1.00 52.23 H new ATOM 1279 N GLY A 80 0.838 3.723 25.810 1.00 4.21 N ATOM 1280 CA GLY A 80 1.731 4.556 25.025 1.00 32.12 C ATOM 1281 C GLY A 80 1.154 4.905 23.668 1.00 52.23 C ATOM 1282 O GLY A 80 1.894 5.170 22.719 1.00 21.15 O ATOM 0 H GLY A 80 -0.052 4.159 26.053 1.00 4.21 H new ATOM 0 HA2 GLY A 80 1.943 5.474 25.573 1.00 32.12 H new ATOM 0 HA3 GLY A 80 2.681 4.039 24.890 1.00 32.12 H new ATOM 1286 N LEU A 81 -0.171 4.905 23.572 1.00 32.21 N ATOM 1287 CA LEU A 81 -0.848 5.223 22.320 1.00 60.45 C ATOM 1288 C LEU A 81 -0.744 6.712 22.007 1.00 15.03 C ATOM 1289 O LEU A 81 -0.637 7.107 20.846 1.00 23.33 O ATOM 1290 CB LEU A 81 -2.318 4.806 22.391 1.00 31.13 C ATOM 1291 CG LEU A 81 -3.211 5.294 21.250 1.00 65.24 C ATOM 1292 CD1 LEU A 81 -3.310 4.237 20.161 1.00 73.31 C ATOM 1293 CD2 LEU A 81 -4.593 5.657 21.771 1.00 32.13 C ATOM 0 H LEU A 81 -0.798 4.688 24.347 1.00 32.21 H new ATOM 0 HA LEU A 81 -0.358 4.668 21.520 1.00 60.45 H new ATOM 0 HB2 LEU A 81 -2.365 3.717 22.422 1.00 31.13 H new ATOM 0 HB3 LEU A 81 -2.733 5.170 23.331 1.00 31.13 H new ATOM 0 HG LEU A 81 -2.761 6.189 20.820 1.00 65.24 H new ATOM 0 HD11 LEU A 81 -3.949 4.602 19.357 1.00 73.31 H new ATOM 0 HD12 LEU A 81 -2.316 4.027 19.767 1.00 73.31 H new ATOM 0 HD13 LEU A 81 -3.736 3.324 20.578 1.00 73.31 H new ATOM 0 HD21 LEU A 81 -5.214 6.002 20.945 1.00 32.13 H new ATOM 0 HD22 LEU A 81 -5.051 4.780 22.228 1.00 32.13 H new ATOM 0 HD23 LEU A 81 -4.505 6.449 22.514 1.00 32.13 H new ATOM 1305 N TRP A 82 -0.776 7.533 23.051 1.00 41.15 N ATOM 1306 CA TRP A 82 -0.683 8.980 22.888 1.00 73.45 C ATOM 1307 C TRP A 82 0.725 9.392 22.474 1.00 23.24 C ATOM 1308 O TRP A 82 0.947 10.519 22.035 1.00 40.44 O ATOM 1309 CB TRP A 82 -1.074 9.686 24.187 1.00 74.04 C ATOM 1310 CG TRP A 82 -0.673 11.130 24.222 1.00 72.42 C ATOM 1311 CD1 TRP A 82 -1.425 12.199 23.827 1.00 14.14 C ATOM 1312 CD2 TRP A 82 0.577 11.661 24.674 1.00 31.13 C ATOM 1313 NE1 TRP A 82 -0.718 13.363 24.007 1.00 10.35 N ATOM 1314 CE2 TRP A 82 0.513 13.060 24.527 1.00 52.34 C ATOM 1315 CE3 TRP A 82 1.743 11.091 25.192 1.00 43.12 C ATOM 1316 CZ2 TRP A 82 1.571 13.895 24.877 1.00 71.32 C ATOM 1317 CZ3 TRP A 82 2.793 11.921 25.539 1.00 73.44 C ATOM 1318 CH2 TRP A 82 2.701 13.310 25.381 1.00 72.12 C ATOM 0 H TRP A 82 -0.866 7.222 24.018 1.00 41.15 H new ATOM 0 HA TRP A 82 -1.374 9.277 22.099 1.00 73.45 H new ATOM 0 HB2 TRP A 82 -2.153 9.613 24.321 1.00 74.04 H new ATOM 0 HB3 TRP A 82 -0.612 9.168 25.027 1.00 74.04 H new ATOM 0 HD1 TRP A 82 -2.428 12.138 23.431 1.00 14.14 H new ATOM 0 HE1 TRP A 82 -1.055 14.301 23.789 1.00 10.35 H new ATOM 0 HE3 TRP A 82 1.823 10.021 25.319 1.00 43.12 H new ATOM 0 HZ2 TRP A 82 1.502 14.966 24.755 1.00 71.32 H new ATOM 0 HZ3 TRP A 82 3.700 11.491 25.939 1.00 73.44 H new ATOM 0 HH2 TRP A 82 3.538 13.931 25.662 1.00 72.12 H new ATOM 1329 N GLU A 83 1.673 8.471 22.619 1.00 62.14 N ATOM 1330 CA GLU A 83 3.061 8.741 22.260 1.00 14.12 C ATOM 1331 C GLU A 83 3.253 8.682 20.748 1.00 62.34 C ATOM 1332 O GLU A 83 4.059 9.423 20.185 1.00 63.15 O ATOM 1333 CB GLU A 83 3.992 7.738 22.944 1.00 72.22 C ATOM 1334 CG GLU A 83 4.320 8.095 24.384 1.00 74.11 C ATOM 1335 CD GLU A 83 4.735 6.889 25.204 1.00 71.11 C ATOM 1336 OE1 GLU A 83 4.716 5.766 24.658 1.00 65.14 O ATOM 1337 OE2 GLU A 83 5.078 7.068 26.391 1.00 32.52 O ATOM 0 H GLU A 83 1.506 7.533 22.982 1.00 62.14 H new ATOM 0 HA GLU A 83 3.309 9.746 22.601 1.00 14.12 H new ATOM 0 HB2 GLU A 83 3.530 6.751 22.920 1.00 72.22 H new ATOM 0 HB3 GLU A 83 4.919 7.670 22.375 1.00 72.22 H new ATOM 0 HG2 GLU A 83 5.122 8.833 24.398 1.00 74.11 H new ATOM 0 HG3 GLU A 83 3.450 8.562 24.846 1.00 74.11 H new ATOM 1344 N ILE A 84 2.508 7.795 20.097 1.00 62.33 N ATOM 1345 CA ILE A 84 2.596 7.639 18.650 1.00 23.42 C ATOM 1346 C ILE A 84 2.165 8.913 17.932 1.00 31.14 C ATOM 1347 O ILE A 84 2.414 9.080 16.738 1.00 25.05 O ATOM 1348 CB ILE A 84 1.728 6.466 18.157 1.00 65.14 C ATOM 1349 CG1 ILE A 84 2.174 6.025 16.761 1.00 44.01 C ATOM 1350 CG2 ILE A 84 0.259 6.861 18.149 1.00 23.20 C ATOM 1351 CD1 ILE A 84 1.417 4.826 16.235 1.00 14.11 C ATOM 0 H ILE A 84 1.837 7.174 20.548 1.00 62.33 H new ATOM 0 HA ILE A 84 3.640 7.430 18.418 1.00 23.42 H new ATOM 0 HB ILE A 84 1.855 5.627 18.841 1.00 65.14 H new ATOM 0 HG12 ILE A 84 2.047 6.857 16.068 1.00 44.01 H new ATOM 0 HG13 ILE A 84 3.238 5.790 16.786 1.00 44.01 H new ATOM 0 HG21 ILE A 84 -0.342 6.022 17.798 1.00 23.20 H new ATOM 0 HG22 ILE A 84 -0.050 7.132 19.158 1.00 23.20 H new ATOM 0 HG23 ILE A 84 0.115 7.713 17.485 1.00 23.20 H new ATOM 0 HD11 ILE A 84 1.786 4.570 15.242 1.00 14.11 H new ATOM 0 HD12 ILE A 84 1.564 3.980 16.906 1.00 14.11 H new ATOM 0 HD13 ILE A 84 0.355 5.063 16.177 1.00 14.11 H new ATOM 1363 N ASP A 85 1.518 9.810 18.669 1.00 70.34 N ATOM 1364 CA ASP A 85 1.054 11.072 18.104 1.00 60.55 C ATOM 1365 C ASP A 85 1.785 12.252 18.736 1.00 21.40 C ATOM 1366 O ASP A 85 1.606 13.397 18.326 1.00 51.44 O ATOM 1367 CB ASP A 85 -0.454 11.222 18.307 1.00 74.24 C ATOM 1368 CG ASP A 85 -0.911 10.704 19.656 1.00 13.13 C ATOM 1369 OD1 ASP A 85 -0.934 9.469 19.842 1.00 53.04 O ATOM 1370 OD2 ASP A 85 -1.245 11.534 20.528 1.00 60.24 O ATOM 0 H ASP A 85 1.303 9.686 19.658 1.00 70.34 H new ATOM 0 HA ASP A 85 1.270 11.065 17.036 1.00 60.55 H new ATOM 0 HB2 ASP A 85 -0.727 12.273 18.213 1.00 74.24 H new ATOM 0 HB3 ASP A 85 -0.979 10.684 17.518 1.00 74.24 H new ATOM 1375 N ASN A 86 2.609 11.963 19.738 1.00 32.43 N ATOM 1376 CA ASN A 86 3.366 13.000 20.429 1.00 52.31 C ATOM 1377 C ASN A 86 4.841 12.624 20.525 1.00 3.31 C ATOM 1378 O ASN A 86 5.695 13.258 19.906 1.00 22.13 O ATOM 1379 CB ASN A 86 2.794 13.231 21.829 1.00 25.04 C ATOM 1380 CG ASN A 86 1.548 14.094 21.810 1.00 35.22 C ATOM 1381 OD1 ASN A 86 1.581 15.261 22.200 1.00 12.02 O ATOM 1382 ND2 ASN A 86 0.439 13.521 21.355 1.00 1.31 N ATOM 0 H ASN A 86 2.769 11.019 20.089 1.00 32.43 H new ATOM 0 HA ASN A 86 3.281 13.922 19.853 1.00 52.31 H new ATOM 0 HB2 ASN A 86 2.560 12.269 22.286 1.00 25.04 H new ATOM 0 HB3 ASN A 86 3.551 13.705 22.454 1.00 25.04 H new ATOM 0 HD21 ASN A 86 -0.431 14.052 21.319 1.00 1.31 H new ATOM 0 HD22 ASN A 86 0.458 12.550 21.042 1.00 1.31 H new ATOM 1389 N ASN A 87 5.133 11.589 21.305 1.00 32.43 N ATOM 1390 CA ASN A 87 6.505 11.128 21.483 1.00 61.43 C ATOM 1391 C ASN A 87 6.712 9.768 20.822 1.00 41.33 C ATOM 1392 O ASN A 87 6.751 8.729 21.481 1.00 41.21 O ATOM 1393 CB ASN A 87 6.847 11.041 22.971 1.00 25.24 C ATOM 1394 CG ASN A 87 8.310 10.720 23.210 1.00 3.24 C ATOM 1395 OD1 ASN A 87 9.097 10.619 22.269 1.00 71.41 O ATOM 1396 ND2 ASN A 87 8.681 10.559 24.475 1.00 5.02 N ATOM 0 H ASN A 87 4.438 11.053 21.824 1.00 32.43 H new ATOM 0 HA ASN A 87 7.169 11.849 21.006 1.00 61.43 H new ATOM 0 HB2 ASN A 87 6.602 11.987 23.453 1.00 25.24 H new ATOM 0 HB3 ASN A 87 6.229 10.275 23.439 1.00 25.24 H new ATOM 0 HD21 ASN A 87 9.652 10.342 24.698 1.00 5.02 H new ATOM 0 HD22 ASN A 87 7.994 10.652 25.224 1.00 5.02 H new ATOM 1403 N PRO A 88 6.849 9.774 19.487 1.00 33.14 N ATOM 1404 CA PRO A 88 7.055 8.550 18.708 1.00 63.13 C ATOM 1405 C PRO A 88 8.432 7.937 18.944 1.00 15.31 C ATOM 1406 O PRO A 88 8.717 6.831 18.485 1.00 5.05 O ATOM 1407 CB PRO A 88 6.924 9.026 17.259 1.00 74.22 C ATOM 1408 CG PRO A 88 7.282 10.471 17.301 1.00 43.12 C ATOM 1409 CD PRO A 88 6.813 10.976 18.637 1.00 34.32 C ATOM 0 HA PRO A 88 6.345 7.769 18.981 1.00 63.13 H new ATOM 0 HB2 PRO A 88 7.591 8.472 16.599 1.00 74.22 H new ATOM 0 HB3 PRO A 88 5.911 8.880 16.884 1.00 74.22 H new ATOM 0 HG2 PRO A 88 8.357 10.610 17.187 1.00 43.12 H new ATOM 0 HG3 PRO A 88 6.802 11.016 16.488 1.00 43.12 H new ATOM 0 HD2 PRO A 88 7.465 11.760 19.022 1.00 34.32 H new ATOM 0 HD3 PRO A 88 5.809 11.397 18.578 1.00 34.32 H new ATOM 1417 N LYS A 89 9.281 8.663 19.663 1.00 23.32 N ATOM 1418 CA LYS A 89 10.628 8.191 19.963 1.00 71.42 C ATOM 1419 C LYS A 89 10.776 7.875 21.448 1.00 40.31 C ATOM 1420 O LYS A 89 11.868 7.973 22.008 1.00 62.04 O ATOM 1421 CB LYS A 89 11.662 9.239 19.548 1.00 44.15 C ATOM 1422 CG LYS A 89 11.422 10.607 20.162 1.00 3.22 C ATOM 1423 CD LYS A 89 12.621 11.522 19.973 1.00 72.34 C ATOM 1424 CE LYS A 89 12.590 12.690 20.946 1.00 54.33 C ATOM 1425 NZ LYS A 89 12.778 12.245 22.354 1.00 64.30 N ATOM 0 H LYS A 89 9.060 9.581 20.049 1.00 23.32 H new ATOM 0 HA LYS A 89 10.800 7.276 19.396 1.00 71.42 H new ATOM 0 HB2 LYS A 89 12.655 8.891 19.834 1.00 44.15 H new ATOM 0 HB3 LYS A 89 11.657 9.332 18.462 1.00 44.15 H new ATOM 0 HG2 LYS A 89 10.541 11.061 19.708 1.00 3.22 H new ATOM 0 HG3 LYS A 89 11.211 10.497 21.226 1.00 3.22 H new ATOM 0 HD2 LYS A 89 13.540 10.953 20.115 1.00 72.34 H new ATOM 0 HD3 LYS A 89 12.634 11.899 18.950 1.00 72.34 H new ATOM 0 HE2 LYS A 89 13.372 13.402 20.683 1.00 54.33 H new ATOM 0 HE3 LYS A 89 11.638 13.213 20.855 1.00 54.33 H new ATOM 0 HZ1 LYS A 89 13.103 13.047 22.931 1.00 64.30 H new ATOM 0 HZ2 LYS A 89 11.875 11.891 22.730 1.00 64.30 H new ATOM 0 HZ3 LYS A 89 13.488 11.485 22.386 1.00 64.30 H new ATOM 1439 N VAL A 90 9.671 7.495 22.081 1.00 55.52 N ATOM 1440 CA VAL A 90 9.678 7.163 23.500 1.00 2.14 C ATOM 1441 C VAL A 90 10.599 5.981 23.783 1.00 10.42 C ATOM 1442 O VAL A 90 11.001 5.752 24.924 1.00 11.02 O ATOM 1443 CB VAL A 90 8.262 6.829 24.006 1.00 3.24 C ATOM 1444 CG1 VAL A 90 7.727 5.585 23.314 1.00 41.34 C ATOM 1445 CG2 VAL A 90 8.266 6.649 25.517 1.00 75.52 C ATOM 0 H VAL A 90 8.759 7.409 21.633 1.00 55.52 H new ATOM 0 HA VAL A 90 10.046 8.042 24.029 1.00 2.14 H new ATOM 0 HB VAL A 90 7.602 7.662 23.764 1.00 3.24 H new ATOM 0 HG11 VAL A 90 6.726 5.365 23.684 1.00 41.34 H new ATOM 0 HG12 VAL A 90 7.686 5.756 22.238 1.00 41.34 H new ATOM 0 HG13 VAL A 90 8.385 4.741 23.523 1.00 41.34 H new ATOM 0 HG21 VAL A 90 7.258 6.414 25.858 1.00 75.52 H new ATOM 0 HG22 VAL A 90 8.939 5.835 25.785 1.00 75.52 H new ATOM 0 HG23 VAL A 90 8.604 7.570 25.992 1.00 75.52 H new