USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.5) USER MOD Single : A 6 HIS : no HE2:sc= -0.753 K(o=-0.75,f=-1.6!) USER MOD Single : A 11 GLN :FLIP amide:sc= 0.813 F(o=0,f=0.81) USER MOD Single : A 12 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0628 X(o=-0.063,f=-0.28) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0458 USER MOD Single : A 21 SER OG : rot 89:sc= 0.404 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 85:sc= 1.02 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 90:sc= 1.26 USER MOD Single : A 28 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.49) USER MOD Single : A 35 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.7!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.832 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 9.793 -0.446 3.495 1.00 14.44 N ATOM 2 CA LEU A 1 9.517 0.665 2.591 1.00 44.33 C ATOM 3 C LEU A 1 10.154 0.426 1.226 1.00 44.45 C ATOM 4 O LEU A 1 11.360 0.200 1.122 1.00 61.03 O ATOM 5 CB LEU A 1 10.037 1.975 3.187 1.00 60.24 C ATOM 6 CG LEU A 1 8.975 2.939 3.716 1.00 42.41 C ATOM 7 CD1 LEU A 1 8.042 3.373 2.596 1.00 71.40 C ATOM 8 CD2 LEU A 1 8.189 2.297 4.849 1.00 11.25 C ATOM 0 H1 LEU A 1 9.350 -0.261 4.418 1.00 14.44 H new ATOM 0 H2 LEU A 1 9.406 -1.324 3.094 1.00 14.44 H new ATOM 0 H3 LEU A 1 10.821 -0.546 3.619 1.00 14.44 H new ATOM 0 HA LEU A 1 8.437 0.736 2.461 1.00 44.33 H new ATOM 0 HB2 LEU A 1 10.719 1.734 4.002 1.00 60.24 H new ATOM 0 HB3 LEU A 1 10.621 2.491 2.425 1.00 60.24 H new ATOM 0 HG LEU A 1 9.477 3.824 4.105 1.00 42.41 H new ATOM 0 HD11 LEU A 1 7.293 4.059 2.992 1.00 71.40 H new ATOM 0 HD12 LEU A 1 8.617 3.874 1.817 1.00 71.40 H new ATOM 0 HD13 LEU A 1 7.547 2.498 2.176 1.00 71.40 H new ATOM 0 HD21 LEU A 1 7.438 2.998 5.213 1.00 11.25 H new ATOM 0 HD22 LEU A 1 7.698 1.395 4.485 1.00 11.25 H new ATOM 0 HD23 LEU A 1 8.868 2.038 5.662 1.00 11.25 H new ATOM 20 N LYS A 2 9.337 0.480 0.179 1.00 11.54 N ATOM 21 CA LYS A 2 9.820 0.274 -1.181 1.00 35.32 C ATOM 22 C LYS A 2 9.273 1.343 -2.121 1.00 15.43 C ATOM 23 O LYS A 2 8.569 2.258 -1.692 1.00 22.50 O ATOM 24 CB LYS A 2 9.416 -1.115 -1.682 1.00 0.14 C ATOM 25 CG LYS A 2 10.145 -2.249 -0.982 1.00 62.25 C ATOM 26 CD LYS A 2 9.204 -3.393 -0.646 1.00 32.44 C ATOM 27 CE LYS A 2 9.731 -4.721 -1.168 1.00 21.15 C ATOM 28 NZ LYS A 2 9.080 -5.879 -0.495 1.00 62.40 N ATOM 0 H LYS A 2 8.336 0.665 0.247 1.00 11.54 H new ATOM 0 HA LYS A 2 10.907 0.348 -1.169 1.00 35.32 H new ATOM 0 HB2 LYS A 2 8.343 -1.244 -1.544 1.00 0.14 H new ATOM 0 HB3 LYS A 2 9.609 -1.176 -2.753 1.00 0.14 H new ATOM 0 HG2 LYS A 2 10.950 -2.614 -1.620 1.00 62.25 H new ATOM 0 HG3 LYS A 2 10.607 -1.876 -0.068 1.00 62.25 H new ATOM 0 HD2 LYS A 2 9.073 -3.452 0.434 1.00 32.44 H new ATOM 0 HD3 LYS A 2 8.222 -3.196 -1.076 1.00 32.44 H new ATOM 0 HE2 LYS A 2 9.560 -4.782 -2.243 1.00 21.15 H new ATOM 0 HE3 LYS A 2 10.809 -4.770 -1.013 1.00 21.15 H new ATOM 0 HZ1 LYS A 2 9.466 -6.765 -0.878 1.00 62.40 H new ATOM 0 HZ2 LYS A 2 9.264 -5.835 0.528 1.00 62.40 H new ATOM 0 HZ3 LYS A 2 8.054 -5.847 -0.664 1.00 62.40 H new ATOM 42 N GLU A 3 9.600 1.221 -3.403 1.00 55.24 N ATOM 43 CA GLU A 3 9.139 2.178 -4.403 1.00 5.12 C ATOM 44 C GLU A 3 9.695 3.571 -4.119 1.00 62.30 C ATOM 45 O GLU A 3 9.224 4.267 -3.222 1.00 12.55 O ATOM 46 CB GLU A 3 7.610 2.224 -4.432 1.00 23.51 C ATOM 47 CG GLU A 3 7.046 2.953 -5.639 1.00 51.32 C ATOM 48 CD GLU A 3 6.459 2.009 -6.670 1.00 61.41 C ATOM 49 OE1 GLU A 3 5.790 1.034 -6.268 1.00 21.34 O ATOM 50 OE2 GLU A 3 6.669 2.244 -7.878 1.00 72.43 O ATOM 0 H GLU A 3 10.182 0.470 -3.774 1.00 55.24 H new ATOM 0 HA GLU A 3 9.503 1.851 -5.377 1.00 5.12 H new ATOM 0 HB2 GLU A 3 7.224 1.205 -4.421 1.00 23.51 H new ATOM 0 HB3 GLU A 3 7.252 2.710 -3.524 1.00 23.51 H new ATOM 0 HG2 GLU A 3 6.275 3.650 -5.310 1.00 51.32 H new ATOM 0 HG3 GLU A 3 7.835 3.545 -6.102 1.00 51.32 H new ATOM 57 N ASN A 4 10.701 3.968 -4.891 1.00 44.51 N ATOM 58 CA ASN A 4 11.323 5.277 -4.723 1.00 30.04 C ATOM 59 C ASN A 4 10.578 6.340 -5.523 1.00 53.45 C ATOM 60 O ASN A 4 11.176 7.069 -6.316 1.00 22.54 O ATOM 61 CB ASN A 4 12.789 5.228 -5.158 1.00 52.34 C ATOM 62 CG ASN A 4 13.604 4.248 -4.337 1.00 11.20 C ATOM 63 OD1 ASN A 4 13.307 3.054 -4.301 1.00 64.13 O ATOM 64 ND2 ASN A 4 14.637 4.750 -3.671 1.00 45.44 N ATOM 0 H ASN A 4 11.103 3.403 -5.639 1.00 44.51 H new ATOM 0 HA ASN A 4 11.274 5.542 -3.667 1.00 30.04 H new ATOM 0 HB2 ASN A 4 12.844 4.949 -6.210 1.00 52.34 H new ATOM 0 HB3 ASN A 4 13.225 6.223 -5.069 1.00 52.34 H new ATOM 0 HD21 ASN A 4 15.221 4.139 -3.100 1.00 45.44 H new ATOM 0 HD22 ASN A 4 14.846 5.747 -3.730 1.00 45.44 H new ATOM 71 N ASP A 5 9.269 6.424 -5.311 1.00 1.21 N ATOM 72 CA ASP A 5 8.442 7.400 -6.011 1.00 74.53 C ATOM 73 C ASP A 5 7.292 7.872 -5.127 1.00 32.51 C ATOM 74 O ASP A 5 7.221 9.044 -4.756 1.00 34.30 O ATOM 75 CB ASP A 5 7.892 6.798 -7.306 1.00 1.12 C ATOM 76 CG ASP A 5 8.988 6.260 -8.205 1.00 52.20 C ATOM 77 OD1 ASP A 5 9.202 5.030 -8.209 1.00 31.31 O ATOM 78 OD2 ASP A 5 9.631 7.070 -8.906 1.00 35.45 O ATOM 0 H ASP A 5 8.758 5.828 -4.660 1.00 1.21 H new ATOM 0 HA ASP A 5 9.066 8.260 -6.255 1.00 74.53 H new ATOM 0 HB2 ASP A 5 7.198 5.994 -7.063 1.00 1.12 H new ATOM 0 HB3 ASP A 5 7.325 7.557 -7.844 1.00 1.12 H new ATOM 83 N HIS A 6 6.392 6.951 -4.793 1.00 43.41 N ATOM 84 CA HIS A 6 5.245 7.274 -3.952 1.00 72.34 C ATOM 85 C HIS A 6 5.648 7.335 -2.482 1.00 64.03 C ATOM 86 O HIS A 6 5.022 8.033 -1.685 1.00 43.15 O ATOM 87 CB HIS A 6 4.137 6.238 -4.146 1.00 71.13 C ATOM 88 CG HIS A 6 2.772 6.749 -3.802 1.00 10.24 C ATOM 89 ND1 HIS A 6 1.979 7.438 -4.695 1.00 34.04 N ATOM 90 CD2 HIS A 6 2.060 6.667 -2.653 1.00 52.14 C ATOM 91 CE1 HIS A 6 0.838 7.759 -4.110 1.00 41.01 C ATOM 92 NE2 HIS A 6 0.862 7.302 -2.871 1.00 11.30 N ATOM 0 H HIS A 6 6.435 5.977 -5.092 1.00 43.41 H new ATOM 0 HA HIS A 6 4.873 8.254 -4.249 1.00 72.34 H new ATOM 0 HB2 HIS A 6 4.140 5.905 -5.184 1.00 71.13 H new ATOM 0 HB3 HIS A 6 4.355 5.365 -3.530 1.00 71.13 H new ATOM 0 HD1 HIS A 6 2.233 7.665 -5.657 1.00 34.04 H new ATOM 0 HD2 HIS A 6 2.375 6.191 -1.736 1.00 52.14 H new ATOM 0 HE1 HIS A 6 0.024 8.303 -4.567 1.00 41.01 H new ATOM 100 N ALA A 7 6.698 6.599 -2.131 1.00 34.04 N ATOM 101 CA ALA A 7 7.185 6.571 -0.757 1.00 61.12 C ATOM 102 C ALA A 7 7.795 7.912 -0.364 1.00 13.15 C ATOM 103 O ALA A 7 7.717 8.324 0.794 1.00 23.21 O ATOM 104 CB ALA A 7 8.204 5.454 -0.581 1.00 55.24 C ATOM 0 H ALA A 7 7.227 6.015 -2.778 1.00 34.04 H new ATOM 0 HA ALA A 7 6.336 6.381 -0.100 1.00 61.12 H new ATOM 0 HB1 ALA A 7 8.559 5.445 0.449 1.00 55.24 H new ATOM 0 HB2 ALA A 7 7.738 4.496 -0.813 1.00 55.24 H new ATOM 0 HB3 ALA A 7 9.046 5.620 -1.253 1.00 55.24 H new ATOM 110 N ARG A 8 8.401 8.589 -1.333 1.00 61.24 N ATOM 111 CA ARG A 8 9.026 9.883 -1.087 1.00 34.10 C ATOM 112 C ARG A 8 7.993 11.005 -1.147 1.00 44.02 C ATOM 113 O ARG A 8 8.110 12.009 -0.444 1.00 24.20 O ATOM 114 CB ARG A 8 10.135 10.140 -2.108 1.00 51.54 C ATOM 115 CG ARG A 8 9.657 10.096 -3.551 1.00 0.44 C ATOM 116 CD ARG A 8 10.764 10.488 -4.517 1.00 1.54 C ATOM 117 NE ARG A 8 10.664 11.887 -4.926 1.00 31.15 N ATOM 118 CZ ARG A 8 11.548 12.487 -5.715 1.00 0.15 C ATOM 119 NH1 ARG A 8 12.593 11.814 -6.177 1.00 55.35 N ATOM 120 NH2 ARG A 8 11.388 13.763 -6.042 1.00 61.24 N ATOM 0 H ARG A 8 8.473 8.263 -2.297 1.00 61.24 H new ATOM 0 HA ARG A 8 9.460 9.865 -0.087 1.00 34.10 H new ATOM 0 HB2 ARG A 8 10.580 11.116 -1.911 1.00 51.54 H new ATOM 0 HB3 ARG A 8 10.922 9.398 -1.972 1.00 51.54 H new ATOM 0 HG2 ARG A 8 9.304 9.092 -3.788 1.00 0.44 H new ATOM 0 HG3 ARG A 8 8.809 10.769 -3.675 1.00 0.44 H new ATOM 0 HD2 ARG A 8 11.733 10.316 -4.047 1.00 1.54 H new ATOM 0 HD3 ARG A 8 10.719 9.849 -5.399 1.00 1.54 H new ATOM 0 HE ARG A 8 9.872 12.433 -4.587 1.00 31.15 H new ATOM 0 HH11 ARG A 8 12.719 10.833 -5.927 1.00 55.35 H new ATOM 0 HH12 ARG A 8 13.271 12.277 -6.783 1.00 55.35 H new ATOM 0 HH21 ARG A 8 10.586 14.284 -5.687 1.00 61.24 H new ATOM 0 HH22 ARG A 8 12.067 14.223 -6.648 1.00 61.24 H new ATOM 134 N PHE A 9 6.983 10.828 -1.992 1.00 61.12 N ATOM 135 CA PHE A 9 5.931 11.826 -2.146 1.00 31.23 C ATOM 136 C PHE A 9 5.031 11.861 -0.914 1.00 74.31 C ATOM 137 O PHE A 9 4.719 12.930 -0.389 1.00 0.42 O ATOM 138 CB PHE A 9 5.096 11.530 -3.393 1.00 61.23 C ATOM 139 CG PHE A 9 5.464 12.379 -4.576 1.00 64.13 C ATOM 140 CD1 PHE A 9 6.774 12.788 -4.771 1.00 54.41 C ATOM 141 CD2 PHE A 9 4.501 12.768 -5.493 1.00 62.12 C ATOM 142 CE1 PHE A 9 7.116 13.570 -5.859 1.00 20.51 C ATOM 143 CE2 PHE A 9 4.838 13.549 -6.583 1.00 33.50 C ATOM 144 CZ PHE A 9 6.146 13.951 -6.765 1.00 64.14 C ATOM 0 H PHE A 9 6.871 10.003 -2.581 1.00 61.12 H new ATOM 0 HA PHE A 9 6.404 12.802 -2.257 1.00 31.23 H new ATOM 0 HB2 PHE A 9 5.214 10.480 -3.659 1.00 61.23 H new ATOM 0 HB3 PHE A 9 4.042 11.683 -3.160 1.00 61.23 H new ATOM 0 HD1 PHE A 9 7.536 12.493 -4.065 1.00 54.41 H new ATOM 0 HD2 PHE A 9 3.476 12.458 -5.355 1.00 62.12 H new ATOM 0 HE1 PHE A 9 8.140 13.882 -6.000 1.00 20.51 H new ATOM 0 HE2 PHE A 9 4.078 13.844 -7.292 1.00 33.50 H new ATOM 0 HZ PHE A 9 6.410 14.563 -7.615 1.00 64.14 H new ATOM 154 N LEU A 10 4.615 10.684 -0.459 1.00 24.11 N ATOM 155 CA LEU A 10 3.750 10.578 0.711 1.00 40.02 C ATOM 156 C LEU A 10 4.483 11.023 1.972 1.00 12.33 C ATOM 157 O LEU A 10 3.983 11.855 2.730 1.00 25.40 O ATOM 158 CB LEU A 10 3.255 9.140 0.875 1.00 25.13 C ATOM 159 CG LEU A 10 1.793 8.976 1.289 1.00 14.44 C ATOM 160 CD1 LEU A 10 1.108 7.928 0.427 1.00 74.04 C ATOM 161 CD2 LEU A 10 1.693 8.606 2.762 1.00 64.31 C ATOM 0 H LEU A 10 4.863 9.790 -0.882 1.00 24.11 H new ATOM 0 HA LEU A 10 2.894 11.235 0.560 1.00 40.02 H new ATOM 0 HB2 LEU A 10 3.405 8.616 -0.069 1.00 25.13 H new ATOM 0 HB3 LEU A 10 3.880 8.645 1.618 1.00 25.13 H new ATOM 0 HG LEU A 10 1.285 9.929 1.139 1.00 14.44 H new ATOM 0 HD11 LEU A 10 0.068 7.825 0.737 1.00 74.04 H new ATOM 0 HD12 LEU A 10 1.147 8.235 -0.618 1.00 74.04 H new ATOM 0 HD13 LEU A 10 1.617 6.971 0.544 1.00 74.04 H new ATOM 0 HD21 LEU A 10 0.645 8.493 3.039 1.00 64.31 H new ATOM 0 HD22 LEU A 10 2.217 7.667 2.938 1.00 64.31 H new ATOM 0 HD23 LEU A 10 2.145 9.392 3.366 1.00 64.31 H new ATOM 173 N GLN A 11 5.670 10.466 2.189 1.00 73.10 N ATOM 174 CA GLN A 11 6.471 10.807 3.358 1.00 45.30 C ATOM 175 C GLN A 11 6.803 12.296 3.375 1.00 71.10 C ATOM 176 O GLN A 11 6.970 12.894 4.438 1.00 11.14 O ATOM 177 CB GLN A 11 7.761 9.985 3.376 1.00 44.33 C ATOM 178 CG GLN A 11 7.558 8.544 3.813 1.00 61.55 C ATOM 179 CD GLN A 11 8.853 7.756 3.846 1.00 71.34 C ATOM 180 OE1 GLN A 11 9.221 7.270 5.025 1.00 53.31 O flip ATOM 181 NE2 GLN A 11 9.516 7.585 2.822 1.00 13.05 N flip ATOM 0 H GLN A 11 6.098 9.777 1.571 1.00 73.10 H new ATOM 0 HA GLN A 11 5.887 10.573 4.248 1.00 45.30 H new ATOM 0 HB2 GLN A 11 8.202 9.995 2.379 1.00 44.33 H new ATOM 0 HB3 GLN A 11 8.476 10.462 4.046 1.00 44.33 H new ATOM 0 HG2 GLN A 11 7.103 8.529 4.803 1.00 61.55 H new ATOM 0 HG3 GLN A 11 6.858 8.057 3.133 1.00 61.55 H new ATOM 0 HE21 GLN A 11 9.196 7.976 1.936 1.00 13.05 H new ATOM 0 HE22 GLN A 11 10.385 7.052 2.860 1.00 13.05 H new ATOM 190 N THR A 12 6.897 12.890 2.189 1.00 22.22 N ATOM 191 CA THR A 12 7.210 14.308 2.068 1.00 62.05 C ATOM 192 C THR A 12 5.988 15.168 2.368 1.00 42.44 C ATOM 193 O THR A 12 6.022 16.024 3.251 1.00 11.32 O ATOM 194 CB THR A 12 7.731 14.649 0.659 1.00 51.53 C ATOM 195 OG1 THR A 12 9.086 14.210 0.517 1.00 23.54 O ATOM 196 CG2 THR A 12 7.649 16.146 0.399 1.00 14.24 C ATOM 0 H THR A 12 6.761 12.411 1.299 1.00 22.22 H new ATOM 0 HA THR A 12 7.990 14.524 2.798 1.00 62.05 H new ATOM 0 HB THR A 12 7.104 14.134 -0.069 1.00 51.53 H new ATOM 0 HG1 THR A 12 9.101 13.244 0.354 1.00 23.54 H new ATOM 0 HG21 THR A 12 8.022 16.362 -0.602 1.00 14.24 H new ATOM 0 HG22 THR A 12 6.612 16.473 0.478 1.00 14.24 H new ATOM 0 HG23 THR A 12 8.254 16.677 1.134 1.00 14.24 H new ATOM 204 N ALA A 13 4.910 14.935 1.627 1.00 53.10 N ATOM 205 CA ALA A 13 3.676 15.687 1.816 1.00 13.52 C ATOM 206 C ALA A 13 3.252 15.687 3.281 1.00 12.30 C ATOM 207 O ALA A 13 2.866 16.721 3.827 1.00 51.32 O ATOM 208 CB ALA A 13 2.569 15.114 0.944 1.00 34.43 C ATOM 0 H ALA A 13 4.866 14.231 0.890 1.00 53.10 H new ATOM 0 HA ALA A 13 3.860 16.719 1.518 1.00 13.52 H new ATOM 0 HB1 ALA A 13 1.653 15.686 1.096 1.00 34.43 H new ATOM 0 HB2 ALA A 13 2.864 15.173 -0.104 1.00 34.43 H new ATOM 0 HB3 ALA A 13 2.395 14.072 1.214 1.00 34.43 H new ATOM 214 N LYS A 14 3.325 14.521 3.913 1.00 21.02 N ATOM 215 CA LYS A 14 2.950 14.385 5.316 1.00 54.35 C ATOM 216 C LYS A 14 3.960 15.085 6.219 1.00 15.33 C ATOM 217 O LYS A 14 3.585 15.823 7.130 1.00 72.23 O ATOM 218 CB LYS A 14 2.847 12.907 5.697 1.00 61.34 C ATOM 219 CG LYS A 14 1.855 12.634 6.814 1.00 61.10 C ATOM 220 CD LYS A 14 1.327 11.210 6.756 1.00 40.34 C ATOM 221 CE LYS A 14 -0.047 11.099 7.397 1.00 35.03 C ATOM 222 NZ LYS A 14 -0.892 10.073 6.725 1.00 21.12 N ATOM 0 H LYS A 14 3.641 13.655 3.476 1.00 21.02 H new ATOM 0 HA LYS A 14 1.977 14.857 5.454 1.00 54.35 H new ATOM 0 HB2 LYS A 14 2.557 12.333 4.817 1.00 61.34 H new ATOM 0 HB3 LYS A 14 3.831 12.549 6.001 1.00 61.34 H new ATOM 0 HG2 LYS A 14 2.334 12.806 7.778 1.00 61.10 H new ATOM 0 HG3 LYS A 14 1.023 13.335 6.742 1.00 61.10 H new ATOM 0 HD2 LYS A 14 1.273 10.883 5.718 1.00 40.34 H new ATOM 0 HD3 LYS A 14 2.022 10.542 7.265 1.00 40.34 H new ATOM 0 HE2 LYS A 14 0.064 10.844 8.451 1.00 35.03 H new ATOM 0 HE3 LYS A 14 -0.547 12.066 7.353 1.00 35.03 H new ATOM 0 HZ1 LYS A 14 -1.820 10.028 7.192 1.00 21.12 H new ATOM 0 HZ2 LYS A 14 -1.019 10.329 5.725 1.00 21.12 H new ATOM 0 HZ3 LYS A 14 -0.427 9.145 6.789 1.00 21.12 H new ATOM 236 N ASN A 15 5.242 14.850 5.960 1.00 33.32 N ATOM 237 CA ASN A 15 6.306 15.459 6.750 1.00 35.23 C ATOM 238 C ASN A 15 6.162 16.977 6.777 1.00 42.54 C ATOM 239 O ASN A 15 6.611 17.637 7.715 1.00 54.12 O ATOM 240 CB ASN A 15 7.674 15.074 6.184 1.00 51.20 C ATOM 241 CG ASN A 15 8.797 15.911 6.766 1.00 34.14 C ATOM 242 OD1 ASN A 15 9.135 16.970 6.238 1.00 60.13 O ATOM 243 ND2 ASN A 15 9.380 15.438 7.861 1.00 21.34 N ATOM 0 H ASN A 15 5.569 14.242 5.209 1.00 33.32 H new ATOM 0 HA ASN A 15 6.226 15.086 7.771 1.00 35.23 H new ATOM 0 HB2 ASN A 15 7.866 14.021 6.389 1.00 51.20 H new ATOM 0 HB3 ASN A 15 7.662 15.191 5.100 1.00 51.20 H new ATOM 0 HD21 ASN A 15 10.141 15.958 8.299 1.00 21.34 H new ATOM 0 HD22 ASN A 15 9.067 14.555 8.265 1.00 21.34 H new ATOM 250 N ILE A 16 5.534 17.525 5.741 1.00 23.05 N ATOM 251 CA ILE A 16 5.330 18.965 5.647 1.00 44.20 C ATOM 252 C ILE A 16 4.288 19.440 6.653 1.00 34.11 C ATOM 253 O ILE A 16 4.537 20.356 7.438 1.00 54.14 O ATOM 254 CB ILE A 16 4.887 19.379 4.231 1.00 4.33 C ATOM 255 CG1 ILE A 16 5.982 19.050 3.214 1.00 10.41 C ATOM 256 CG2 ILE A 16 4.551 20.863 4.194 1.00 32.54 C ATOM 257 CD1 ILE A 16 5.447 18.689 1.846 1.00 32.12 C ATOM 0 H ILE A 16 5.158 16.993 4.956 1.00 23.05 H new ATOM 0 HA ILE A 16 6.288 19.435 5.871 1.00 44.20 H new ATOM 0 HB ILE A 16 3.991 18.817 3.967 1.00 4.33 H new ATOM 0 HG12 ILE A 16 6.649 19.907 3.120 1.00 10.41 H new ATOM 0 HG13 ILE A 16 6.580 18.221 3.592 1.00 10.41 H new ATOM 0 HG21 ILE A 16 4.240 21.141 3.187 1.00 32.54 H new ATOM 0 HG22 ILE A 16 3.742 21.070 4.894 1.00 32.54 H new ATOM 0 HG23 ILE A 16 5.431 21.442 4.474 1.00 32.54 H new ATOM 0 HD11 ILE A 16 6.279 18.468 1.177 1.00 32.12 H new ATOM 0 HD12 ILE A 16 4.803 17.813 1.927 1.00 32.12 H new ATOM 0 HD13 ILE A 16 4.873 19.526 1.447 1.00 32.12 H new ATOM 269 N THR A 17 3.117 18.809 6.627 1.00 45.32 N ATOM 270 CA THR A 17 2.036 19.166 7.537 1.00 43.15 C ATOM 271 C THR A 17 2.325 18.678 8.952 1.00 52.24 C ATOM 272 O THR A 17 1.779 19.202 9.922 1.00 54.55 O ATOM 273 CB THR A 17 0.691 18.580 7.068 1.00 62.22 C ATOM 274 OG1 THR A 17 0.755 18.261 5.673 1.00 21.13 O ATOM 275 CG2 THR A 17 -0.443 19.562 7.317 1.00 35.00 C ATOM 0 H THR A 17 2.894 18.048 5.985 1.00 45.32 H new ATOM 0 HA THR A 17 1.969 20.254 7.538 1.00 43.15 H new ATOM 0 HB THR A 17 0.497 17.672 7.639 1.00 62.22 H new ATOM 0 HG1 THR A 17 -0.103 17.887 5.383 1.00 21.13 H new ATOM 0 HG21 THR A 17 -1.383 19.126 6.978 1.00 35.00 H new ATOM 0 HG22 THR A 17 -0.508 19.780 8.383 1.00 35.00 H new ATOM 0 HG23 THR A 17 -0.252 20.485 6.769 1.00 35.00 H new ATOM 283 N GLU A 18 3.187 17.672 9.062 1.00 52.24 N ATOM 284 CA GLU A 18 3.547 17.114 10.360 1.00 40.22 C ATOM 285 C GLU A 18 4.635 17.950 11.028 1.00 14.24 C ATOM 286 O GLU A 18 4.672 18.075 12.253 1.00 53.14 O ATOM 287 CB GLU A 18 4.023 15.668 10.204 1.00 42.40 C ATOM 288 CG GLU A 18 3.892 14.844 11.474 1.00 45.41 C ATOM 289 CD GLU A 18 2.493 14.294 11.671 1.00 64.24 C ATOM 290 OE1 GLU A 18 2.363 13.212 12.281 1.00 73.01 O ATOM 291 OE2 GLU A 18 1.530 14.944 11.215 1.00 73.13 O ATOM 0 H GLU A 18 3.649 17.227 8.269 1.00 52.24 H new ATOM 0 HA GLU A 18 2.660 17.130 10.993 1.00 40.22 H new ATOM 0 HB2 GLU A 18 3.450 15.189 9.410 1.00 42.40 H new ATOM 0 HB3 GLU A 18 5.066 15.670 9.888 1.00 42.40 H new ATOM 0 HG2 GLU A 18 4.602 14.018 11.441 1.00 45.41 H new ATOM 0 HG3 GLU A 18 4.160 15.461 12.332 1.00 45.41 H new ATOM 298 N ARG A 19 5.518 18.520 10.216 1.00 64.14 N ATOM 299 CA ARG A 19 6.608 19.342 10.728 1.00 51.35 C ATOM 300 C ARG A 19 6.100 20.719 11.146 1.00 73.10 C ATOM 301 O ARG A 19 6.600 21.313 12.101 1.00 0.10 O ATOM 302 CB ARG A 19 7.703 19.491 9.670 1.00 3.10 C ATOM 303 CG ARG A 19 8.753 20.533 10.022 1.00 35.23 C ATOM 304 CD ARG A 19 9.761 20.710 8.898 1.00 23.33 C ATOM 305 NE ARG A 19 11.110 20.329 9.308 1.00 22.04 N ATOM 306 CZ ARG A 19 11.865 21.059 10.122 1.00 14.30 C ATOM 307 NH1 ARG A 19 11.404 22.203 10.610 1.00 22.23 N ATOM 308 NH2 ARG A 19 13.082 20.646 10.449 1.00 23.12 N ATOM 0 H ARG A 19 5.500 18.428 9.200 1.00 64.14 H new ATOM 0 HA ARG A 19 7.024 18.845 11.604 1.00 51.35 H new ATOM 0 HB2 ARG A 19 8.193 18.528 9.528 1.00 3.10 H new ATOM 0 HB3 ARG A 19 7.243 19.758 8.719 1.00 3.10 H new ATOM 0 HG2 ARG A 19 8.266 21.486 10.229 1.00 35.23 H new ATOM 0 HG3 ARG A 19 9.271 20.235 10.933 1.00 35.23 H new ATOM 0 HD2 ARG A 19 9.459 20.107 8.042 1.00 23.33 H new ATOM 0 HD3 ARG A 19 9.761 21.750 8.572 1.00 23.33 H new ATOM 0 HE ARG A 19 11.494 19.454 8.950 1.00 22.04 H new ATOM 0 HH11 ARG A 19 10.468 22.524 10.361 1.00 22.23 H new ATOM 0 HH12 ARG A 19 11.985 22.762 11.235 1.00 22.23 H new ATOM 0 HH21 ARG A 19 13.440 19.767 10.076 1.00 23.12 H new ATOM 0 HH22 ARG A 19 13.660 21.208 11.074 1.00 23.12 H new ATOM 322 N VAL A 20 5.103 21.221 10.424 1.00 34.40 N ATOM 323 CA VAL A 20 4.526 22.527 10.720 1.00 21.42 C ATOM 324 C VAL A 20 3.696 22.484 11.998 1.00 75.41 C ATOM 325 O VAL A 20 3.681 23.440 12.773 1.00 33.54 O ATOM 326 CB VAL A 20 3.641 23.025 9.562 1.00 2.23 C ATOM 327 CG1 VAL A 20 2.496 22.056 9.309 1.00 4.04 C ATOM 328 CG2 VAL A 20 3.114 24.421 9.858 1.00 35.14 C ATOM 0 H VAL A 20 4.678 20.743 9.630 1.00 34.40 H new ATOM 0 HA VAL A 20 5.358 23.218 10.854 1.00 21.42 H new ATOM 0 HB VAL A 20 4.249 23.074 8.658 1.00 2.23 H new ATOM 0 HG11 VAL A 20 1.882 22.425 8.487 1.00 4.04 H new ATOM 0 HG12 VAL A 20 2.899 21.077 9.050 1.00 4.04 H new ATOM 0 HG13 VAL A 20 1.886 21.971 10.208 1.00 4.04 H new ATOM 0 HG21 VAL A 20 2.491 24.758 9.030 1.00 35.14 H new ATOM 0 HG22 VAL A 20 2.522 24.400 10.773 1.00 35.14 H new ATOM 0 HG23 VAL A 20 3.952 25.107 9.984 1.00 35.14 H new ATOM 338 N SER A 21 3.005 21.368 12.211 1.00 22.03 N ATOM 339 CA SER A 21 2.169 21.201 13.394 1.00 32.00 C ATOM 340 C SER A 21 3.020 21.153 14.659 1.00 2.31 C ATOM 341 O SER A 21 2.861 21.978 15.559 1.00 63.04 O ATOM 342 CB SER A 21 1.335 19.924 13.279 1.00 73.34 C ATOM 343 OG SER A 21 0.274 20.089 12.354 1.00 15.41 O ATOM 0 H SER A 21 3.008 20.567 11.580 1.00 22.03 H new ATOM 0 HA SER A 21 1.500 22.059 13.459 1.00 32.00 H new ATOM 0 HB2 SER A 21 1.972 19.097 12.963 1.00 73.34 H new ATOM 0 HB3 SER A 21 0.932 19.660 14.257 1.00 73.34 H new ATOM 0 HG SER A 21 0.580 19.840 11.457 1.00 15.41 H new ATOM 349 N MET A 22 3.924 20.181 14.720 1.00 43.10 N ATOM 350 CA MET A 22 4.802 20.026 15.874 1.00 63.40 C ATOM 351 C MET A 22 5.640 21.282 16.093 1.00 35.32 C ATOM 352 O MET A 22 6.031 21.590 17.219 1.00 74.54 O ATOM 353 CB MET A 22 5.718 18.815 15.686 1.00 60.44 C ATOM 354 CG MET A 22 6.553 18.487 16.913 1.00 52.20 C ATOM 355 SD MET A 22 7.671 17.099 16.642 1.00 31.33 S ATOM 356 CE MET A 22 9.072 17.932 15.901 1.00 4.12 C ATOM 0 H MET A 22 4.068 19.489 13.984 1.00 43.10 H new ATOM 0 HA MET A 22 4.179 19.868 16.754 1.00 63.40 H new ATOM 0 HB2 MET A 22 5.111 17.947 15.428 1.00 60.44 H new ATOM 0 HB3 MET A 22 6.384 19.001 14.843 1.00 60.44 H new ATOM 0 HG2 MET A 22 7.133 19.365 17.198 1.00 52.20 H new ATOM 0 HG3 MET A 22 5.891 18.257 17.748 1.00 52.20 H new ATOM 0 HE1 MET A 22 9.851 17.203 15.675 1.00 4.12 H new ATOM 0 HE2 MET A 22 8.758 18.424 14.981 1.00 4.12 H new ATOM 0 HE3 MET A 22 9.462 18.676 16.596 1.00 4.12 H new ATOM 366 N ALA A 23 5.911 22.003 15.010 1.00 20.14 N ATOM 367 CA ALA A 23 6.700 23.226 15.085 1.00 3.14 C ATOM 368 C ALA A 23 5.933 24.331 15.803 1.00 0.40 C ATOM 369 O ALA A 23 6.457 24.976 16.712 1.00 12.31 O ATOM 370 CB ALA A 23 7.103 23.681 13.690 1.00 21.43 C ATOM 0 H ALA A 23 5.596 21.761 14.071 1.00 20.14 H new ATOM 0 HA ALA A 23 7.601 23.013 15.660 1.00 3.14 H new ATOM 0 HB1 ALA A 23 7.692 24.596 13.761 1.00 21.43 H new ATOM 0 HB2 ALA A 23 7.698 22.903 13.211 1.00 21.43 H new ATOM 0 HB3 ALA A 23 6.209 23.871 13.097 1.00 21.43 H new ATOM 376 N THR A 24 4.688 24.547 15.389 1.00 62.53 N ATOM 377 CA THR A 24 3.849 25.575 15.991 1.00 44.24 C ATOM 378 C THR A 24 3.312 25.124 17.344 1.00 3.30 C ATOM 379 O THR A 24 2.963 25.948 18.189 1.00 34.41 O ATOM 380 CB THR A 24 2.665 25.940 15.076 1.00 35.24 C ATOM 381 OG1 THR A 24 3.025 25.742 13.705 1.00 40.13 O ATOM 382 CG2 THR A 24 2.240 27.385 15.291 1.00 30.31 C ATOM 0 H THR A 24 4.239 24.023 14.638 1.00 62.53 H new ATOM 0 HA THR A 24 4.477 26.455 16.128 1.00 44.24 H new ATOM 0 HB THR A 24 1.827 25.290 15.328 1.00 35.24 H new ATOM 0 HG1 THR A 24 2.884 24.803 13.462 1.00 40.13 H new ATOM 0 HG21 THR A 24 1.403 27.620 14.634 1.00 30.31 H new ATOM 0 HG22 THR A 24 1.937 27.525 16.329 1.00 30.31 H new ATOM 0 HG23 THR A 24 3.075 28.048 15.065 1.00 30.31 H new ATOM 390 N ALA A 25 3.250 23.812 17.543 1.00 21.23 N ATOM 391 CA ALA A 25 2.758 23.252 18.796 1.00 70.21 C ATOM 392 C ALA A 25 3.854 23.231 19.856 1.00 12.31 C ATOM 393 O ALA A 25 3.583 23.022 21.038 1.00 31.24 O ATOM 394 CB ALA A 25 2.214 21.849 18.569 1.00 10.02 C ATOM 0 H ALA A 25 3.534 23.117 16.853 1.00 21.23 H new ATOM 0 HA ALA A 25 1.951 23.889 19.158 1.00 70.21 H new ATOM 0 HB1 ALA A 25 1.850 21.443 19.513 1.00 10.02 H new ATOM 0 HB2 ALA A 25 1.395 21.888 17.851 1.00 10.02 H new ATOM 0 HB3 ALA A 25 3.007 21.210 18.181 1.00 10.02 H new ATOM 400 N SER A 26 5.092 23.449 19.425 1.00 41.50 N ATOM 401 CA SER A 26 6.230 23.451 20.337 1.00 12.51 C ATOM 402 C SER A 26 6.934 24.805 20.324 1.00 32.15 C ATOM 403 O SER A 26 7.935 25.003 21.013 1.00 70.32 O ATOM 404 CB SER A 26 7.217 22.347 19.957 1.00 64.43 C ATOM 405 OG SER A 26 7.815 21.778 21.109 1.00 44.31 O ATOM 0 H SER A 26 5.333 23.627 18.450 1.00 41.50 H new ATOM 0 HA SER A 26 5.857 23.264 21.344 1.00 12.51 H new ATOM 0 HB2 SER A 26 6.700 21.572 19.391 1.00 64.43 H new ATOM 0 HB3 SER A 26 7.990 22.755 19.306 1.00 64.43 H new ATOM 0 HG SER A 26 8.441 21.074 20.839 1.00 44.31 H new ATOM 411 N SER A 27 6.402 25.734 19.536 1.00 25.12 N ATOM 412 CA SER A 27 6.981 27.068 19.430 1.00 40.22 C ATOM 413 C SER A 27 6.185 28.073 20.257 1.00 53.13 C ATOM 414 O SER A 27 6.749 29.001 20.836 1.00 52.14 O ATOM 415 CB SER A 27 7.023 27.514 17.967 1.00 72.22 C ATOM 416 OG SER A 27 8.108 26.914 17.282 1.00 65.22 O ATOM 0 H SER A 27 5.572 25.587 18.962 1.00 25.12 H new ATOM 0 HA SER A 27 7.998 27.028 19.820 1.00 40.22 H new ATOM 0 HB2 SER A 27 6.087 27.248 17.476 1.00 72.22 H new ATOM 0 HB3 SER A 27 7.113 28.599 17.917 1.00 72.22 H new ATOM 0 HG SER A 27 7.819 26.062 16.894 1.00 65.22 H new ATOM 422 N GLN A 28 4.871 27.880 20.306 1.00 33.13 N ATOM 423 CA GLN A 28 3.996 28.769 21.061 1.00 3.44 C ATOM 424 C GLN A 28 3.302 28.019 22.193 1.00 22.21 C ATOM 425 O GLN A 28 3.709 28.107 23.352 1.00 52.32 O ATOM 426 CB GLN A 28 2.953 29.400 20.137 1.00 64.33 C ATOM 427 CG GLN A 28 3.396 30.723 19.533 1.00 61.43 C ATOM 428 CD GLN A 28 2.486 31.873 19.916 1.00 73.35 C ATOM 429 OE1 GLN A 28 1.268 31.713 20.004 1.00 31.30 O ATOM 430 NE2 GLN A 28 3.073 33.042 20.145 1.00 35.53 N ATOM 0 H GLN A 28 4.389 27.116 19.832 1.00 33.13 H new ATOM 0 HA GLN A 28 4.610 29.558 21.495 1.00 3.44 H new ATOM 0 HB2 GLN A 28 2.723 28.702 19.332 1.00 64.33 H new ATOM 0 HB3 GLN A 28 2.031 29.556 20.697 1.00 64.33 H new ATOM 0 HG2 GLN A 28 4.412 30.945 19.859 1.00 61.43 H new ATOM 0 HG3 GLN A 28 3.422 30.632 18.447 1.00 61.43 H new ATOM 0 HE21 GLN A 28 4.086 33.129 20.061 1.00 35.53 H new ATOM 0 HE22 GLN A 28 2.511 33.852 20.405 1.00 35.53 H new ATOM 439 N VAL A 29 2.252 27.280 21.850 1.00 70.32 N ATOM 440 CA VAL A 29 1.501 26.513 22.837 1.00 64.32 C ATOM 441 C VAL A 29 0.348 25.758 22.185 1.00 10.31 C ATOM 442 O VAL A 29 -0.008 24.659 22.611 1.00 74.33 O ATOM 443 CB VAL A 29 0.943 27.422 23.948 1.00 63.32 C ATOM 444 CG1 VAL A 29 0.116 28.550 23.350 1.00 24.20 C ATOM 445 CG2 VAL A 29 0.118 26.610 24.935 1.00 2.22 C ATOM 0 H VAL A 29 1.902 27.196 20.896 1.00 70.32 H new ATOM 0 HA VAL A 29 2.196 25.798 23.278 1.00 64.32 H new ATOM 0 HB VAL A 29 1.781 27.865 24.487 1.00 63.32 H new ATOM 0 HG11 VAL A 29 -0.270 29.182 24.150 1.00 24.20 H new ATOM 0 HG12 VAL A 29 0.741 29.147 22.686 1.00 24.20 H new ATOM 0 HG13 VAL A 29 -0.717 28.131 22.785 1.00 24.20 H new ATOM 0 HG21 VAL A 29 -0.269 27.268 25.714 1.00 2.22 H new ATOM 0 HG22 VAL A 29 -0.714 26.138 24.412 1.00 2.22 H new ATOM 0 HG23 VAL A 29 0.745 25.842 25.388 1.00 2.22 H new ATOM 455 N LEU A 30 -0.232 26.355 21.150 1.00 13.40 N ATOM 456 CA LEU A 30 -1.347 25.740 20.438 1.00 65.34 C ATOM 457 C LEU A 30 -2.576 25.638 21.334 1.00 55.21 C ATOM 458 O LEU A 30 -2.977 24.544 21.734 1.00 45.42 O ATOM 459 CB LEU A 30 -0.951 24.350 19.936 1.00 70.14 C ATOM 460 CG LEU A 30 -1.713 23.836 18.714 1.00 61.33 C ATOM 461 CD1 LEU A 30 -0.836 23.898 17.473 1.00 51.43 C ATOM 462 CD2 LEU A 30 -2.204 22.415 18.950 1.00 13.15 C ATOM 0 H LEU A 30 0.051 27.264 20.785 1.00 13.40 H new ATOM 0 HA LEU A 30 -1.594 26.372 19.585 1.00 65.34 H new ATOM 0 HB2 LEU A 30 0.113 24.361 19.698 1.00 70.14 H new ATOM 0 HB3 LEU A 30 -1.088 23.639 20.750 1.00 70.14 H new ATOM 0 HG LEU A 30 -2.580 24.477 18.555 1.00 61.33 H new ATOM 0 HD11 LEU A 30 -1.395 23.528 16.613 1.00 51.43 H new ATOM 0 HD12 LEU A 30 -0.533 24.929 17.293 1.00 51.43 H new ATOM 0 HD13 LEU A 30 0.050 23.281 17.622 1.00 51.43 H new ATOM 0 HD21 LEU A 30 -2.744 22.066 18.070 1.00 13.15 H new ATOM 0 HD22 LEU A 30 -1.352 21.762 19.136 1.00 13.15 H new ATOM 0 HD23 LEU A 30 -2.869 22.398 19.814 1.00 13.15 H new ATOM 474 N ILE A 31 -3.173 26.785 21.644 1.00 64.53 N ATOM 475 CA ILE A 31 -4.359 26.824 22.490 1.00 61.23 C ATOM 476 C ILE A 31 -5.239 28.021 22.147 1.00 71.01 C ATOM 477 O ILE A 31 -4.771 29.045 21.649 1.00 61.11 O ATOM 478 CB ILE A 31 -3.984 26.887 23.982 1.00 12.12 C ATOM 479 CG1 ILE A 31 -3.065 28.081 24.249 1.00 22.45 C ATOM 480 CG2 ILE A 31 -3.318 25.590 24.416 1.00 5.33 C ATOM 481 CD1 ILE A 31 -3.735 29.200 25.014 1.00 11.25 C ATOM 0 H ILE A 31 -2.854 27.699 21.322 1.00 64.53 H new ATOM 0 HA ILE A 31 -4.912 25.904 22.302 1.00 61.23 H new ATOM 0 HB ILE A 31 -4.895 27.017 24.566 1.00 12.12 H new ATOM 0 HG12 ILE A 31 -2.194 27.740 24.808 1.00 22.45 H new ATOM 0 HG13 ILE A 31 -2.701 28.469 23.298 1.00 22.45 H new ATOM 0 HG21 ILE A 31 -3.059 25.650 25.473 1.00 5.33 H new ATOM 0 HG22 ILE A 31 -4.004 24.758 24.257 1.00 5.33 H new ATOM 0 HG23 ILE A 31 -2.413 25.431 23.829 1.00 5.33 H new ATOM 0 HD11 ILE A 31 -3.025 30.012 25.167 1.00 11.25 H new ATOM 0 HD12 ILE A 31 -4.590 29.568 24.447 1.00 11.25 H new ATOM 0 HD13 ILE A 31 -4.074 28.828 25.981 1.00 11.25 H new ATOM 493 N PRO A 32 -6.546 27.892 22.421 1.00 41.22 N ATOM 494 CA PRO A 32 -7.519 28.955 22.152 1.00 74.42 C ATOM 495 C PRO A 32 -7.343 30.152 23.080 1.00 64.50 C ATOM 496 O PRO A 32 -7.373 30.010 24.302 1.00 61.01 O ATOM 497 CB PRO A 32 -8.867 28.274 22.407 1.00 4.23 C ATOM 498 CG PRO A 32 -8.559 27.171 23.360 1.00 71.10 C ATOM 499 CD PRO A 32 -7.173 26.700 23.015 1.00 75.23 C ATOM 0 HA PRO A 32 -7.413 29.359 21.145 1.00 74.42 H new ATOM 0 HB2 PRO A 32 -9.590 28.972 22.829 1.00 4.23 H new ATOM 0 HB3 PRO A 32 -9.298 27.890 21.482 1.00 4.23 H new ATOM 0 HG2 PRO A 32 -8.607 27.522 24.391 1.00 71.10 H new ATOM 0 HG3 PRO A 32 -9.281 26.360 23.265 1.00 71.10 H new ATOM 0 HD2 PRO A 32 -6.633 26.360 23.898 1.00 75.23 H new ATOM 0 HD3 PRO A 32 -7.195 25.866 22.314 1.00 75.23 H new ATOM 507 N GLU A 33 -7.159 31.329 22.491 1.00 4.12 N ATOM 508 CA GLU A 33 -6.977 32.550 23.267 1.00 3.22 C ATOM 509 C GLU A 33 -7.946 33.636 22.808 1.00 5.10 C ATOM 510 O GLU A 33 -8.928 33.934 23.488 1.00 5.45 O ATOM 511 CB GLU A 33 -5.536 33.051 23.142 1.00 31.41 C ATOM 512 CG GLU A 33 -4.726 32.898 24.418 1.00 23.22 C ATOM 513 CD GLU A 33 -5.037 33.974 25.440 1.00 52.44 C ATOM 514 OE1 GLU A 33 -5.651 33.647 26.477 1.00 53.42 O ATOM 515 OE2 GLU A 33 -4.668 35.143 25.202 1.00 4.20 O ATOM 0 H GLU A 33 -7.132 31.463 21.480 1.00 4.12 H new ATOM 0 HA GLU A 33 -7.185 32.320 24.312 1.00 3.22 H new ATOM 0 HB2 GLU A 33 -5.039 32.507 22.339 1.00 31.41 H new ATOM 0 HB3 GLU A 33 -5.549 34.102 22.854 1.00 31.41 H new ATOM 0 HG2 GLU A 33 -4.925 31.919 24.855 1.00 23.22 H new ATOM 0 HG3 GLU A 33 -3.664 32.929 24.175 1.00 23.22 H new ATOM 522 N ILE A 34 -7.661 34.223 21.650 1.00 14.24 N ATOM 523 CA ILE A 34 -8.507 35.275 21.100 1.00 11.00 C ATOM 524 C ILE A 34 -8.527 35.224 19.576 1.00 24.21 C ATOM 525 O ILE A 34 -9.574 35.388 18.953 1.00 54.21 O ATOM 526 CB ILE A 34 -8.035 36.670 21.550 1.00 43.24 C ATOM 527 CG1 ILE A 34 -6.514 36.782 21.425 1.00 42.45 C ATOM 528 CG2 ILE A 34 -8.476 36.943 22.980 1.00 44.42 C ATOM 529 CD1 ILE A 34 -5.969 38.126 21.857 1.00 35.22 C ATOM 0 H ILE A 34 -6.852 33.988 21.075 1.00 14.24 H new ATOM 0 HA ILE A 34 -9.514 35.101 21.480 1.00 11.00 H new ATOM 0 HB ILE A 34 -8.490 37.418 20.901 1.00 43.24 H new ATOM 0 HG12 ILE A 34 -6.050 36.000 22.026 1.00 42.45 H new ATOM 0 HG13 ILE A 34 -6.228 36.599 20.389 1.00 42.45 H new ATOM 0 HG21 ILE A 34 -8.135 37.933 23.283 1.00 44.42 H new ATOM 0 HG22 ILE A 34 -9.564 36.900 23.040 1.00 44.42 H new ATOM 0 HG23 ILE A 34 -8.046 36.192 23.643 1.00 44.42 H new ATOM 0 HD11 ILE A 34 -4.885 38.133 21.741 1.00 35.22 H new ATOM 0 HD12 ILE A 34 -6.405 38.911 21.239 1.00 35.22 H new ATOM 0 HD13 ILE A 34 -6.224 38.303 22.902 1.00 35.22 H new ATOM 541 N ASN A 35 -7.360 34.993 18.982 1.00 32.33 N ATOM 542 CA ASN A 35 -7.243 34.918 17.531 1.00 52.25 C ATOM 543 C ASN A 35 -6.101 33.992 17.124 1.00 40.23 C ATOM 544 O ASN A 35 -5.530 34.131 16.041 1.00 4.44 O ATOM 545 CB ASN A 35 -7.017 36.313 16.944 1.00 53.11 C ATOM 546 CG ASN A 35 -7.490 36.420 15.507 1.00 34.40 C ATOM 547 OD1 ASN A 35 -8.308 35.620 15.050 1.00 4.30 O ATOM 548 ND2 ASN A 35 -6.977 37.410 14.787 1.00 1.42 N ATOM 0 H ASN A 35 -6.483 34.855 19.484 1.00 32.33 H new ATOM 0 HA ASN A 35 -8.175 34.512 17.137 1.00 52.25 H new ATOM 0 HB2 ASN A 35 -7.542 37.049 17.552 1.00 53.11 H new ATOM 0 HB3 ASN A 35 -5.956 36.557 16.993 1.00 53.11 H new ATOM 0 HD21 ASN A 35 -7.258 37.531 13.814 1.00 1.42 H new ATOM 0 HD22 ASN A 35 -6.302 38.049 15.207 1.00 1.42 H new ATOM 555 N LEU A 36 -5.774 33.047 17.998 1.00 65.35 N ATOM 556 CA LEU A 36 -4.700 32.096 17.730 1.00 43.22 C ATOM 557 C LEU A 36 -5.111 31.099 16.651 1.00 14.14 C ATOM 558 O LEU A 36 -4.303 30.712 15.809 1.00 23.33 O ATOM 559 CB LEU A 36 -4.320 31.351 19.011 1.00 51.41 C ATOM 560 CG LEU A 36 -3.193 30.326 18.882 1.00 11.02 C ATOM 561 CD1 LEU A 36 -2.375 30.268 20.163 1.00 51.50 C ATOM 562 CD2 LEU A 36 -3.757 28.953 18.545 1.00 1.41 C ATOM 0 H LEU A 36 -6.236 32.918 18.898 1.00 65.35 H new ATOM 0 HA LEU A 36 -3.835 32.654 17.372 1.00 43.22 H new ATOM 0 HB2 LEU A 36 -4.032 32.086 19.763 1.00 51.41 H new ATOM 0 HB3 LEU A 36 -5.207 30.841 19.387 1.00 51.41 H new ATOM 0 HG LEU A 36 -2.536 30.637 18.069 1.00 11.02 H new ATOM 0 HD11 LEU A 36 -1.578 29.533 20.053 1.00 51.50 H new ATOM 0 HD12 LEU A 36 -1.941 31.248 20.362 1.00 51.50 H new ATOM 0 HD13 LEU A 36 -3.020 29.982 20.994 1.00 51.50 H new ATOM 0 HD21 LEU A 36 -2.941 28.236 18.457 1.00 1.41 H new ATOM 0 HD22 LEU A 36 -4.436 28.634 19.336 1.00 1.41 H new ATOM 0 HD23 LEU A 36 -4.299 29.004 17.600 1.00 1.41 H new ATOM 574 N ASN A 37 -6.375 30.690 16.683 1.00 74.51 N ATOM 575 CA ASN A 37 -6.895 29.739 15.707 1.00 73.32 C ATOM 576 C ASN A 37 -6.715 30.264 14.286 1.00 50.40 C ATOM 577 O ASN A 37 -6.179 29.572 13.420 1.00 12.03 O ATOM 578 CB ASN A 37 -8.375 29.459 15.975 1.00 34.40 C ATOM 579 CG ASN A 37 -8.601 28.100 16.609 1.00 20.32 C ATOM 580 OD1 ASN A 37 -9.283 27.244 16.044 1.00 3.25 O ATOM 581 ND2 ASN A 37 -8.028 27.895 17.790 1.00 42.44 N ATOM 0 H ASN A 37 -7.058 31.002 17.374 1.00 74.51 H new ATOM 0 HA ASN A 37 -6.332 28.811 15.806 1.00 73.32 H new ATOM 0 HB2 ASN A 37 -8.776 30.233 16.629 1.00 34.40 H new ATOM 0 HB3 ASN A 37 -8.928 29.516 15.038 1.00 34.40 H new ATOM 0 HD21 ASN A 37 -8.145 27.000 18.265 1.00 42.44 H new ATOM 0 HD22 ASN A 37 -7.471 28.633 18.222 1.00 42.44 H new ATOM 588 N ASP A 38 -7.165 31.492 14.054 1.00 54.31 N ATOM 589 CA ASP A 38 -7.053 32.112 12.739 1.00 44.33 C ATOM 590 C ASP A 38 -5.607 32.092 12.251 1.00 74.14 C ATOM 591 O ASP A 38 -5.347 32.043 11.048 1.00 51.42 O ATOM 592 CB ASP A 38 -7.569 33.551 12.784 1.00 45.42 C ATOM 593 CG ASP A 38 -8.232 33.970 11.486 1.00 25.41 C ATOM 594 OD1 ASP A 38 -8.837 33.102 10.822 1.00 12.04 O ATOM 595 OD2 ASP A 38 -8.145 35.165 11.135 1.00 75.43 O ATOM 0 H ASP A 38 -7.611 32.078 14.760 1.00 54.31 H new ATOM 0 HA ASP A 38 -7.662 31.538 12.041 1.00 44.33 H new ATOM 0 HB2 ASP A 38 -8.282 33.653 13.602 1.00 45.42 H new ATOM 0 HB3 ASP A 38 -6.739 34.225 12.999 1.00 45.42 H new ATOM 600 N THR A 39 -4.669 32.130 13.192 1.00 54.51 N ATOM 601 CA THR A 39 -3.251 32.119 12.858 1.00 22.22 C ATOM 602 C THR A 39 -2.786 30.717 12.481 1.00 31.21 C ATOM 603 O THR A 39 -2.239 30.503 11.399 1.00 52.21 O ATOM 604 CB THR A 39 -2.394 32.634 14.030 1.00 23.51 C ATOM 605 OG1 THR A 39 -3.235 32.985 15.135 1.00 65.33 O ATOM 606 CG2 THR A 39 -1.570 33.841 13.609 1.00 55.42 C ATOM 0 H THR A 39 -4.866 32.169 14.192 1.00 54.51 H new ATOM 0 HA THR A 39 -3.122 32.784 12.004 1.00 22.22 H new ATOM 0 HB THR A 39 -1.714 31.837 14.331 1.00 23.51 H new ATOM 0 HG1 THR A 39 -2.751 33.590 15.735 1.00 65.33 H new ATOM 0 HG21 THR A 39 -0.973 34.187 14.453 1.00 55.42 H new ATOM 0 HG22 THR A 39 -0.910 33.562 12.788 1.00 55.42 H new ATOM 0 HG23 THR A 39 -2.236 34.640 13.284 1.00 55.42 H new ATOM 614 N PHE A 40 -3.008 29.763 13.380 1.00 43.31 N ATOM 615 CA PHE A 40 -2.611 28.381 13.141 1.00 31.51 C ATOM 616 C PHE A 40 -3.281 27.832 11.885 1.00 73.30 C ATOM 617 O PHE A 40 -2.660 27.115 11.100 1.00 53.23 O ATOM 618 CB PHE A 40 -2.970 27.509 14.347 1.00 52.24 C ATOM 619 CG PHE A 40 -2.310 26.160 14.329 1.00 5.55 C ATOM 620 CD1 PHE A 40 -0.965 26.037 14.018 1.00 71.20 C ATOM 621 CD2 PHE A 40 -3.033 25.016 14.624 1.00 11.24 C ATOM 622 CE1 PHE A 40 -0.354 24.797 14.002 1.00 41.23 C ATOM 623 CE2 PHE A 40 -2.427 23.774 14.610 1.00 12.11 C ATOM 624 CZ PHE A 40 -1.086 23.664 14.297 1.00 14.32 C ATOM 0 H PHE A 40 -3.461 29.922 14.280 1.00 43.31 H new ATOM 0 HA PHE A 40 -1.531 28.360 12.994 1.00 31.51 H new ATOM 0 HB2 PHE A 40 -2.686 28.031 15.260 1.00 52.24 H new ATOM 0 HB3 PHE A 40 -4.051 27.375 14.380 1.00 52.24 H new ATOM 0 HD1 PHE A 40 -0.388 26.920 13.786 1.00 71.20 H new ATOM 0 HD2 PHE A 40 -4.082 25.095 14.868 1.00 11.24 H new ATOM 0 HE1 PHE A 40 0.695 24.715 13.759 1.00 41.23 H new ATOM 0 HE2 PHE A 40 -3.002 22.890 14.844 1.00 12.11 H new ATOM 0 HZ PHE A 40 -0.611 22.694 14.283 1.00 14.32 H new ATOM 634 N ASP A 41 -4.552 28.173 11.703 1.00 71.22 N ATOM 635 CA ASP A 41 -5.308 27.715 10.542 1.00 2.44 C ATOM 636 C ASP A 41 -4.625 28.142 9.247 1.00 53.53 C ATOM 637 O ASP A 41 -4.243 27.306 8.428 1.00 22.31 O ATOM 638 CB ASP A 41 -6.734 28.265 10.587 1.00 14.12 C ATOM 639 CG ASP A 41 -7.741 27.314 9.971 1.00 60.35 C ATOM 640 OD1 ASP A 41 -7.892 26.189 10.492 1.00 22.13 O ATOM 641 OD2 ASP A 41 -8.379 27.694 8.967 1.00 44.23 O ATOM 0 H ASP A 41 -5.081 28.765 12.344 1.00 71.22 H new ATOM 0 HA ASP A 41 -5.346 26.626 10.569 1.00 2.44 H new ATOM 0 HB2 ASP A 41 -7.012 28.463 11.622 1.00 14.12 H new ATOM 0 HB3 ASP A 41 -6.769 29.218 10.060 1.00 14.12 H new ATOM 646 N THR A 42 -4.476 29.451 9.066 1.00 53.14 N ATOM 647 CA THR A 42 -3.842 29.990 7.869 1.00 74.21 C ATOM 648 C THR A 42 -2.433 29.436 7.697 1.00 63.24 C ATOM 649 O THR A 42 -1.899 29.404 6.588 1.00 62.43 O ATOM 650 CB THR A 42 -3.775 31.528 7.913 1.00 53.13 C ATOM 651 OG1 THR A 42 -3.948 32.064 6.596 1.00 60.30 O ATOM 652 CG2 THR A 42 -2.446 31.996 8.486 1.00 61.34 C ATOM 0 H THR A 42 -4.786 30.157 9.733 1.00 53.14 H new ATOM 0 HA THR A 42 -4.456 29.685 7.021 1.00 74.21 H new ATOM 0 HB THR A 42 -4.577 31.886 8.559 1.00 53.13 H new ATOM 0 HG1 THR A 42 -3.906 33.042 6.633 1.00 60.30 H new ATOM 0 HG21 THR A 42 -2.422 33.086 8.507 1.00 61.34 H new ATOM 0 HG22 THR A 42 -2.331 31.611 9.499 1.00 61.34 H new ATOM 0 HG23 THR A 42 -1.631 31.627 7.863 1.00 61.34 H new ATOM 660 N PHE A 43 -1.834 29.000 8.800 1.00 34.41 N ATOM 661 CA PHE A 43 -0.485 28.446 8.771 1.00 55.52 C ATOM 662 C PHE A 43 -0.490 27.031 8.201 1.00 53.14 C ATOM 663 O PHE A 43 0.244 26.726 7.261 1.00 1.44 O ATOM 664 CB PHE A 43 0.117 28.440 10.177 1.00 34.34 C ATOM 665 CG PHE A 43 1.609 28.273 10.190 1.00 43.42 C ATOM 666 CD1 PHE A 43 2.219 27.437 11.111 1.00 12.32 C ATOM 667 CD2 PHE A 43 2.403 28.954 9.280 1.00 31.33 C ATOM 668 CE1 PHE A 43 3.592 27.282 11.125 1.00 22.31 C ATOM 669 CE2 PHE A 43 3.777 28.802 9.289 1.00 34.31 C ATOM 670 CZ PHE A 43 4.372 27.966 10.213 1.00 21.34 C ATOM 0 H PHE A 43 -2.262 29.020 9.726 1.00 34.41 H new ATOM 0 HA PHE A 43 0.126 29.076 8.125 1.00 55.52 H new ATOM 0 HB2 PHE A 43 -0.140 29.373 10.678 1.00 34.34 H new ATOM 0 HB3 PHE A 43 -0.336 27.634 10.754 1.00 34.34 H new ATOM 0 HD1 PHE A 43 1.614 26.900 11.827 1.00 12.32 H new ATOM 0 HD2 PHE A 43 1.943 29.610 8.556 1.00 31.33 H new ATOM 0 HE1 PHE A 43 4.055 26.627 11.848 1.00 22.31 H new ATOM 0 HE2 PHE A 43 4.385 29.337 8.574 1.00 34.31 H new ATOM 0 HZ PHE A 43 5.445 27.847 10.223 1.00 21.34 H new ATOM 680 N ALA A 44 -1.323 26.170 8.777 1.00 52.54 N ATOM 681 CA ALA A 44 -1.425 24.788 8.326 1.00 54.11 C ATOM 682 C ALA A 44 -2.056 24.708 6.940 1.00 74.31 C ATOM 683 O ALA A 44 -1.551 24.015 6.055 1.00 3.45 O ATOM 684 CB ALA A 44 -2.229 23.966 9.322 1.00 14.14 C ATOM 0 H ALA A 44 -1.937 26.406 9.557 1.00 52.54 H new ATOM 0 HA ALA A 44 -0.417 24.377 8.262 1.00 54.11 H new ATOM 0 HB1 ALA A 44 -2.297 22.936 8.972 1.00 14.14 H new ATOM 0 HB2 ALA A 44 -1.736 23.988 10.294 1.00 14.14 H new ATOM 0 HB3 ALA A 44 -3.231 24.385 9.414 1.00 14.14 H new ATOM 690 N LEU A 45 -3.163 25.419 6.757 1.00 35.31 N ATOM 691 CA LEU A 45 -3.865 25.427 5.478 1.00 44.52 C ATOM 692 C LEU A 45 -2.892 25.656 4.325 1.00 21.53 C ATOM 693 O LEU A 45 -2.752 24.810 3.442 1.00 63.14 O ATOM 694 CB LEU A 45 -4.943 26.512 5.472 1.00 10.33 C ATOM 695 CG LEU A 45 -6.167 26.238 4.598 1.00 60.42 C ATOM 696 CD1 LEU A 45 -5.741 25.798 3.206 1.00 64.41 C ATOM 697 CD2 LEU A 45 -7.058 25.185 5.242 1.00 4.54 C ATOM 0 H LEU A 45 -3.594 25.998 7.478 1.00 35.31 H new ATOM 0 HA LEU A 45 -4.337 24.454 5.345 1.00 44.52 H new ATOM 0 HB2 LEU A 45 -5.281 26.666 6.497 1.00 10.33 H new ATOM 0 HB3 LEU A 45 -4.488 27.446 5.142 1.00 10.33 H new ATOM 0 HG LEU A 45 -6.738 27.162 4.506 1.00 60.42 H new ATOM 0 HD11 LEU A 45 -6.625 25.607 2.598 1.00 64.41 H new ATOM 0 HD12 LEU A 45 -5.145 26.584 2.743 1.00 64.41 H new ATOM 0 HD13 LEU A 45 -5.147 24.887 3.278 1.00 64.41 H new ATOM 0 HD21 LEU A 45 -7.924 25.003 4.606 1.00 4.54 H new ATOM 0 HD22 LEU A 45 -6.497 24.259 5.364 1.00 4.54 H new ATOM 0 HD23 LEU A 45 -7.392 25.538 6.217 1.00 4.54 H new ATOM 709 N ASP A 46 -2.221 26.802 4.342 1.00 30.03 N ATOM 710 CA ASP A 46 -1.258 27.140 3.300 1.00 14.24 C ATOM 711 C ASP A 46 -0.307 25.976 3.041 1.00 1.32 C ATOM 712 O ASP A 46 -0.105 25.569 1.897 1.00 21.10 O ATOM 713 CB ASP A 46 -0.464 28.386 3.695 1.00 11.22 C ATOM 714 CG ASP A 46 -0.260 29.336 2.531 1.00 35.20 C ATOM 715 OD1 ASP A 46 -0.227 30.562 2.764 1.00 1.43 O ATOM 716 OD2 ASP A 46 -0.134 28.852 1.387 1.00 42.42 O ATOM 0 H ASP A 46 -2.326 27.513 5.066 1.00 30.03 H new ATOM 0 HA ASP A 46 -1.809 27.346 2.383 1.00 14.24 H new ATOM 0 HB2 ASP A 46 -0.986 28.907 4.498 1.00 11.22 H new ATOM 0 HB3 ASP A 46 0.507 28.085 4.089 1.00 11.22 H new ATOM 721 N PHE A 47 0.276 25.446 4.111 1.00 21.31 N ATOM 722 CA PHE A 47 1.208 24.330 3.999 1.00 23.23 C ATOM 723 C PHE A 47 0.554 23.142 3.299 1.00 12.43 C ATOM 724 O PHE A 47 1.055 22.651 2.288 1.00 52.10 O ATOM 725 CB PHE A 47 1.703 23.910 5.385 1.00 12.11 C ATOM 726 CG PHE A 47 3.102 24.366 5.686 1.00 60.03 C ATOM 727 CD1 PHE A 47 4.157 23.990 4.871 1.00 65.13 C ATOM 728 CD2 PHE A 47 3.362 25.170 6.784 1.00 51.22 C ATOM 729 CE1 PHE A 47 5.446 24.408 5.144 1.00 23.13 C ATOM 730 CE2 PHE A 47 4.648 25.592 7.062 1.00 24.40 C ATOM 731 CZ PHE A 47 5.692 25.209 6.242 1.00 0.01 C ATOM 0 H PHE A 47 0.120 25.771 5.065 1.00 21.31 H new ATOM 0 HA PHE A 47 2.058 24.658 3.401 1.00 23.23 H new ATOM 0 HB2 PHE A 47 1.028 24.312 6.140 1.00 12.11 H new ATOM 0 HB3 PHE A 47 1.659 22.824 5.464 1.00 12.11 H new ATOM 0 HD1 PHE A 47 3.970 23.363 4.012 1.00 65.13 H new ATOM 0 HD2 PHE A 47 2.550 25.470 7.430 1.00 51.22 H new ATOM 0 HE1 PHE A 47 6.259 24.109 4.500 1.00 23.13 H new ATOM 0 HE2 PHE A 47 4.837 26.221 7.920 1.00 24.40 H new ATOM 0 HZ PHE A 47 6.698 25.535 6.459 1.00 0.01 H new ATOM 741 N SER A 48 -0.569 22.686 3.846 1.00 43.12 N ATOM 742 CA SER A 48 -1.290 21.554 3.277 1.00 33.34 C ATOM 743 C SER A 48 -1.551 21.767 1.789 1.00 13.44 C ATOM 744 O SER A 48 -1.356 20.863 0.978 1.00 74.43 O ATOM 745 CB SER A 48 -2.615 21.344 4.014 1.00 24.11 C ATOM 746 OG SER A 48 -2.899 19.964 4.168 1.00 14.34 O ATOM 0 H SER A 48 -0.998 23.083 4.682 1.00 43.12 H new ATOM 0 HA SER A 48 -0.671 20.665 3.395 1.00 33.34 H new ATOM 0 HB2 SER A 48 -2.570 21.821 4.993 1.00 24.11 H new ATOM 0 HB3 SER A 48 -3.422 21.825 3.462 1.00 24.11 H new ATOM 0 HG SER A 48 -3.749 19.856 4.643 1.00 14.34 H new ATOM 752 N ARG A 49 -1.994 22.971 1.440 1.00 64.24 N ATOM 753 CA ARG A 49 -2.283 23.304 0.050 1.00 1.32 C ATOM 754 C ARG A 49 -1.173 22.807 -0.871 1.00 23.01 C ATOM 755 O ARG A 49 -1.440 22.224 -1.921 1.00 44.01 O ATOM 756 CB ARG A 49 -2.453 24.816 -0.109 1.00 11.31 C ATOM 757 CG ARG A 49 -3.732 25.213 -0.828 1.00 32.12 C ATOM 758 CD ARG A 49 -3.550 25.200 -2.337 1.00 62.34 C ATOM 759 NE ARG A 49 -3.571 26.546 -2.903 1.00 41.01 N ATOM 760 CZ ARG A 49 -3.710 26.796 -4.200 1.00 43.03 C ATOM 761 NH1 ARG A 49 -3.839 25.796 -5.061 1.00 55.23 N ATOM 762 NH2 ARG A 49 -3.720 28.048 -4.638 1.00 45.45 N ATOM 0 H ARG A 49 -2.160 23.731 2.100 1.00 64.24 H new ATOM 0 HA ARG A 49 -3.213 22.809 -0.230 1.00 1.32 H new ATOM 0 HB2 ARG A 49 -2.442 25.280 0.877 1.00 11.31 H new ATOM 0 HB3 ARG A 49 -1.599 25.213 -0.658 1.00 11.31 H new ATOM 0 HG2 ARG A 49 -4.534 24.528 -0.551 1.00 32.12 H new ATOM 0 HG3 ARG A 49 -4.038 26.208 -0.506 1.00 32.12 H new ATOM 0 HD2 ARG A 49 -2.604 24.718 -2.584 1.00 62.34 H new ATOM 0 HD3 ARG A 49 -4.340 24.603 -2.792 1.00 62.34 H new ATOM 0 HE ARG A 49 -3.474 27.338 -2.267 1.00 41.01 H new ATOM 0 HH11 ARG A 49 -3.832 24.832 -4.728 1.00 55.23 H new ATOM 0 HH12 ARG A 49 -3.946 25.991 -6.057 1.00 55.23 H new ATOM 0 HH21 ARG A 49 -3.621 28.820 -3.979 1.00 45.45 H new ATOM 0 HH22 ARG A 49 -3.827 28.239 -5.634 1.00 45.45 H new ATOM 776 N GLU A 50 0.073 23.042 -0.469 1.00 55.41 N ATOM 777 CA GLU A 50 1.222 22.619 -1.260 1.00 4.33 C ATOM 778 C GLU A 50 1.478 21.124 -1.092 1.00 12.25 C ATOM 779 O GLU A 50 1.921 20.450 -2.021 1.00 61.33 O ATOM 780 CB GLU A 50 2.468 23.409 -0.853 1.00 11.54 C ATOM 781 CG GLU A 50 3.132 24.137 -2.009 1.00 50.23 C ATOM 782 CD GLU A 50 4.311 24.983 -1.567 1.00 74.40 C ATOM 783 OE1 GLU A 50 4.825 24.746 -0.454 1.00 12.23 O ATOM 784 OE2 GLU A 50 4.718 25.880 -2.333 1.00 45.13 O ATOM 0 H GLU A 50 0.311 23.522 0.399 1.00 55.41 H new ATOM 0 HA GLU A 50 1.001 22.817 -2.309 1.00 4.33 H new ATOM 0 HB2 GLU A 50 2.194 24.135 -0.087 1.00 11.54 H new ATOM 0 HB3 GLU A 50 3.189 22.727 -0.402 1.00 11.54 H new ATOM 0 HG2 GLU A 50 3.469 23.409 -2.747 1.00 50.23 H new ATOM 0 HG3 GLU A 50 2.398 24.774 -2.502 1.00 50.23 H new ATOM 791 N LYS A 51 1.195 20.612 0.102 1.00 43.34 N ATOM 792 CA LYS A 51 1.393 19.198 0.394 1.00 32.40 C ATOM 793 C LYS A 51 0.509 18.330 -0.496 1.00 34.43 C ATOM 794 O LYS A 51 0.845 17.184 -0.795 1.00 25.21 O ATOM 795 CB LYS A 51 1.089 18.913 1.867 1.00 73.34 C ATOM 796 CG LYS A 51 -0.307 18.362 2.104 1.00 23.00 C ATOM 797 CD LYS A 51 -0.328 16.845 2.024 1.00 34.33 C ATOM 798 CE LYS A 51 -1.670 16.332 1.525 1.00 74.11 C ATOM 799 NZ LYS A 51 -1.676 14.851 1.371 1.00 63.23 N ATOM 0 H LYS A 51 0.828 21.156 0.883 1.00 43.34 H new ATOM 0 HA LYS A 51 2.435 18.953 0.190 1.00 32.40 H new ATOM 0 HB2 LYS A 51 1.821 18.202 2.249 1.00 73.34 H new ATOM 0 HB3 LYS A 51 1.209 19.833 2.439 1.00 73.34 H new ATOM 0 HG2 LYS A 51 -0.664 18.681 3.083 1.00 23.00 H new ATOM 0 HG3 LYS A 51 -0.993 18.776 1.365 1.00 23.00 H new ATOM 0 HD2 LYS A 51 0.464 16.504 1.357 1.00 34.33 H new ATOM 0 HD3 LYS A 51 -0.120 16.425 3.008 1.00 34.33 H new ATOM 0 HE2 LYS A 51 -2.454 16.628 2.222 1.00 74.11 H new ATOM 0 HE3 LYS A 51 -1.903 16.798 0.567 1.00 74.11 H new ATOM 0 HZ1 LYS A 51 -2.608 14.541 1.029 1.00 63.23 H new ATOM 0 HZ2 LYS A 51 -0.945 14.570 0.686 1.00 63.23 H new ATOM 0 HZ3 LYS A 51 -1.479 14.406 2.290 1.00 63.23 H new ATOM 813 N LYS A 52 -0.624 18.883 -0.917 1.00 65.10 N ATOM 814 CA LYS A 52 -1.555 18.161 -1.775 1.00 55.01 C ATOM 815 C LYS A 52 -1.061 18.139 -3.218 1.00 54.40 C ATOM 816 O LYS A 52 -0.978 17.080 -3.841 1.00 30.23 O ATOM 817 CB LYS A 52 -2.943 18.803 -1.710 1.00 11.15 C ATOM 818 CG LYS A 52 -3.924 18.237 -2.722 1.00 22.33 C ATOM 819 CD LYS A 52 -4.248 16.781 -2.430 1.00 14.34 C ATOM 820 CE LYS A 52 -5.430 16.297 -3.256 1.00 62.00 C ATOM 821 NZ LYS A 52 -6.177 15.207 -2.570 1.00 21.31 N ATOM 0 H LYS A 52 -0.919 19.830 -0.677 1.00 65.10 H new ATOM 0 HA LYS A 52 -1.619 17.134 -1.416 1.00 55.01 H new ATOM 0 HB2 LYS A 52 -3.350 18.668 -0.708 1.00 11.15 H new ATOM 0 HB3 LYS A 52 -2.845 19.876 -1.872 1.00 11.15 H new ATOM 0 HG2 LYS A 52 -4.842 18.825 -2.709 1.00 22.33 H new ATOM 0 HG3 LYS A 52 -3.505 18.324 -3.724 1.00 22.33 H new ATOM 0 HD2 LYS A 52 -3.376 16.163 -2.644 1.00 14.34 H new ATOM 0 HD3 LYS A 52 -4.471 16.662 -1.370 1.00 14.34 H new ATOM 0 HE2 LYS A 52 -6.103 17.132 -3.451 1.00 62.00 H new ATOM 0 HE3 LYS A 52 -5.076 15.941 -4.223 1.00 62.00 H new ATOM 0 HZ1 LYS A 52 -6.975 14.905 -3.165 1.00 21.31 H new ATOM 0 HZ2 LYS A 52 -5.542 14.400 -2.407 1.00 21.31 H new ATOM 0 HZ3 LYS A 52 -6.537 15.554 -1.658 1.00 21.31 H new ATOM 835 N LEU A 53 -0.734 19.314 -3.744 1.00 3.51 N ATOM 836 CA LEU A 53 -0.246 19.430 -5.114 1.00 2.21 C ATOM 837 C LEU A 53 0.916 18.474 -5.361 1.00 25.24 C ATOM 838 O LEU A 53 1.144 18.034 -6.488 1.00 71.15 O ATOM 839 CB LEU A 53 0.192 20.868 -5.400 1.00 71.35 C ATOM 840 CG LEU A 53 0.183 21.292 -6.870 1.00 35.15 C ATOM 841 CD1 LEU A 53 -1.232 21.255 -7.427 1.00 10.33 C ATOM 842 CD2 LEU A 53 0.784 22.681 -7.027 1.00 62.34 C ATOM 0 H LEU A 53 -0.798 20.200 -3.243 1.00 3.51 H new ATOM 0 HA LEU A 53 -1.061 19.164 -5.788 1.00 2.21 H new ATOM 0 HB2 LEU A 53 -0.459 21.542 -4.844 1.00 71.35 H new ATOM 0 HB3 LEU A 53 1.200 21.004 -5.009 1.00 71.35 H new ATOM 0 HG LEU A 53 0.793 20.588 -7.436 1.00 35.15 H new ATOM 0 HD11 LEU A 53 -1.219 21.560 -8.474 1.00 10.33 H new ATOM 0 HD12 LEU A 53 -1.628 20.242 -7.349 1.00 10.33 H new ATOM 0 HD13 LEU A 53 -1.865 21.937 -6.859 1.00 10.33 H new ATOM 0 HD21 LEU A 53 0.770 22.967 -8.079 1.00 62.34 H new ATOM 0 HD22 LEU A 53 0.201 23.397 -6.448 1.00 62.34 H new ATOM 0 HD23 LEU A 53 1.813 22.675 -6.667 1.00 62.34 H new ATOM 854 N LEU A 54 1.648 18.154 -4.299 1.00 42.10 N ATOM 855 CA LEU A 54 2.786 17.247 -4.399 1.00 45.24 C ATOM 856 C LEU A 54 2.321 15.810 -4.606 1.00 73.44 C ATOM 857 O LEU A 54 2.656 15.177 -5.607 1.00 61.01 O ATOM 858 CB LEU A 54 3.650 17.339 -3.140 1.00 13.31 C ATOM 859 CG LEU A 54 5.103 16.886 -3.287 1.00 54.33 C ATOM 860 CD1 LEU A 54 5.900 17.237 -2.041 1.00 43.30 C ATOM 861 CD2 LEU A 54 5.170 15.391 -3.562 1.00 53.12 C ATOM 0 H LEU A 54 1.474 18.509 -3.359 1.00 42.10 H new ATOM 0 HA LEU A 54 3.381 17.545 -5.263 1.00 45.24 H new ATOM 0 HB2 LEU A 54 3.646 18.373 -2.796 1.00 13.31 H new ATOM 0 HB3 LEU A 54 3.182 16.741 -2.358 1.00 13.31 H new ATOM 0 HG LEU A 54 5.543 17.411 -4.135 1.00 54.33 H new ATOM 0 HD11 LEU A 54 6.932 16.907 -2.164 1.00 43.30 H new ATOM 0 HD12 LEU A 54 5.880 18.316 -1.888 1.00 43.30 H new ATOM 0 HD13 LEU A 54 5.461 16.740 -1.176 1.00 43.30 H new ATOM 0 HD21 LEU A 54 6.212 15.086 -3.664 1.00 53.12 H new ATOM 0 HD22 LEU A 54 4.712 14.848 -2.735 1.00 53.12 H new ATOM 0 HD23 LEU A 54 4.634 15.166 -4.484 1.00 53.12 H new ATOM 873 N GLU A 55 1.544 15.301 -3.654 1.00 45.43 N ATOM 874 CA GLU A 55 1.032 13.939 -3.734 1.00 73.30 C ATOM 875 C GLU A 55 0.188 13.747 -4.991 1.00 43.43 C ATOM 876 O GLU A 55 0.494 12.903 -5.834 1.00 61.11 O ATOM 877 CB GLU A 55 0.199 13.610 -2.493 1.00 51.02 C ATOM 878 CG GLU A 55 0.073 12.120 -2.221 1.00 45.44 C ATOM 879 CD GLU A 55 0.929 11.666 -1.055 1.00 3.00 C ATOM 880 OE1 GLU A 55 1.042 12.427 -0.071 1.00 45.12 O ATOM 881 OE2 GLU A 55 1.486 10.551 -1.126 1.00 32.53 O ATOM 0 H GLU A 55 1.256 15.812 -2.819 1.00 45.43 H new ATOM 0 HA GLU A 55 1.884 13.261 -3.782 1.00 73.30 H new ATOM 0 HB2 GLU A 55 0.649 14.092 -1.625 1.00 51.02 H new ATOM 0 HB3 GLU A 55 -0.798 14.035 -2.612 1.00 51.02 H new ATOM 0 HG2 GLU A 55 -0.970 11.879 -2.017 1.00 45.44 H new ATOM 0 HG3 GLU A 55 0.359 11.566 -3.115 1.00 45.44 H new ATOM 888 N CYS A 56 -0.874 14.536 -5.110 1.00 4.53 N ATOM 889 CA CYS A 56 -1.763 14.454 -6.263 1.00 22.20 C ATOM 890 C CYS A 56 -2.012 15.836 -6.857 1.00 54.22 C ATOM 891 O CYS A 56 -1.439 16.830 -6.408 1.00 61.44 O ATOM 892 CB CYS A 56 -3.091 13.810 -5.864 1.00 32.51 C ATOM 893 SG CYS A 56 -3.365 12.175 -6.587 1.00 33.14 S ATOM 0 H CYS A 56 -1.140 15.240 -4.422 1.00 4.53 H new ATOM 0 HA CYS A 56 -1.280 13.835 -7.020 1.00 22.20 H new ATOM 0 HB2 CYS A 56 -3.130 13.726 -4.778 1.00 32.51 H new ATOM 0 HB3 CYS A 56 -3.906 14.469 -6.163 1.00 32.51 H new ATOM 0 HG CYS A 56 -4.513 11.711 -6.189 1.00 33.14 H new ATOM 899 N LEU A 57 -2.870 15.893 -7.870 1.00 71.20 N ATOM 900 CA LEU A 57 -3.195 17.154 -8.528 1.00 30.41 C ATOM 901 C LEU A 57 -4.634 17.566 -8.235 1.00 71.31 C ATOM 902 O LEU A 57 -5.556 16.756 -8.341 1.00 41.41 O ATOM 903 CB LEU A 57 -2.984 17.033 -10.038 1.00 74.42 C ATOM 904 CG LEU A 57 -1.956 17.984 -10.651 1.00 0.02 C ATOM 905 CD1 LEU A 57 -0.595 17.312 -10.742 1.00 22.03 C ATOM 906 CD2 LEU A 57 -2.414 18.452 -12.024 1.00 54.42 C ATOM 0 H LEU A 57 -3.353 15.081 -8.254 1.00 71.20 H new ATOM 0 HA LEU A 57 -2.530 17.923 -8.135 1.00 30.41 H new ATOM 0 HB2 LEU A 57 -2.681 16.010 -10.261 1.00 74.42 H new ATOM 0 HB3 LEU A 57 -3.941 17.197 -10.533 1.00 74.42 H new ATOM 0 HG LEU A 57 -1.865 18.856 -10.004 1.00 0.02 H new ATOM 0 HD11 LEU A 57 0.124 18.004 -11.181 1.00 22.03 H new ATOM 0 HD12 LEU A 57 -0.262 17.028 -9.744 1.00 22.03 H new ATOM 0 HD13 LEU A 57 -0.670 16.422 -11.367 1.00 22.03 H new ATOM 0 HD21 LEU A 57 -1.670 19.128 -12.445 1.00 54.42 H new ATOM 0 HD22 LEU A 57 -2.534 17.590 -12.681 1.00 54.42 H new ATOM 0 HD23 LEU A 57 -3.367 18.973 -11.932 1.00 54.42 H new ATOM 918 N ASP A 58 -4.819 18.829 -7.868 1.00 73.05 N ATOM 919 CA ASP A 58 -6.147 19.350 -7.564 1.00 22.14 C ATOM 920 C ASP A 58 -6.200 20.860 -7.776 1.00 72.44 C ATOM 921 O ASP A 58 -5.167 21.512 -7.928 1.00 52.21 O ATOM 922 CB ASP A 58 -6.532 19.012 -6.123 1.00 32.44 C ATOM 923 CG ASP A 58 -7.730 18.086 -6.046 1.00 33.30 C ATOM 924 OD1 ASP A 58 -8.861 18.591 -5.885 1.00 34.40 O ATOM 925 OD2 ASP A 58 -7.537 16.856 -6.148 1.00 0.42 O ATOM 0 H ASP A 58 -4.067 19.511 -7.774 1.00 73.05 H new ATOM 0 HA ASP A 58 -6.859 18.880 -8.243 1.00 22.14 H new ATOM 0 HB2 ASP A 58 -5.683 18.546 -5.623 1.00 32.44 H new ATOM 0 HB3 ASP A 58 -6.753 19.933 -5.583 1.00 32.44 H new ATOM 930 N TYR A 59 -7.410 21.408 -7.788 1.00 31.35 N ATOM 931 CA TYR A 59 -7.598 22.840 -7.985 1.00 75.15 C ATOM 932 C TYR A 59 -8.693 23.377 -7.068 1.00 43.42 C ATOM 933 O TYR A 59 -9.880 23.132 -7.288 1.00 3.22 O ATOM 934 CB TYR A 59 -7.952 23.132 -9.445 1.00 3.32 C ATOM 935 CG TYR A 59 -7.349 24.417 -9.968 1.00 73.50 C ATOM 936 CD1 TYR A 59 -8.134 25.547 -10.162 1.00 33.42 C ATOM 937 CD2 TYR A 59 -5.996 24.500 -10.270 1.00 24.14 C ATOM 938 CE1 TYR A 59 -7.589 26.722 -10.640 1.00 45.03 C ATOM 939 CE2 TYR A 59 -5.441 25.671 -10.747 1.00 50.51 C ATOM 940 CZ TYR A 59 -6.241 26.780 -10.931 1.00 34.40 C ATOM 941 OH TYR A 59 -5.693 27.948 -11.408 1.00 10.22 O ATOM 0 H TYR A 59 -8.275 20.882 -7.664 1.00 31.35 H new ATOM 0 HA TYR A 59 -6.663 23.342 -7.736 1.00 75.15 H new ATOM 0 HB2 TYR A 59 -7.613 22.302 -10.065 1.00 3.32 H new ATOM 0 HB3 TYR A 59 -9.036 23.182 -9.544 1.00 3.32 H new ATOM 0 HD1 TYR A 59 -9.189 25.505 -9.935 1.00 33.42 H new ATOM 0 HD2 TYR A 59 -5.367 23.634 -10.129 1.00 24.14 H new ATOM 0 HE1 TYR A 59 -8.214 27.591 -10.785 1.00 45.03 H new ATOM 0 HE2 TYR A 59 -4.386 25.719 -10.975 1.00 50.51 H new ATOM 0 HH TYR A 59 -4.733 27.821 -11.561 1.00 10.22 H new ATOM 951 N LEU A 60 -8.285 24.112 -6.039 1.00 42.35 N ATOM 952 CA LEU A 60 -9.229 24.687 -5.087 1.00 71.43 C ATOM 953 C LEU A 60 -10.170 23.617 -4.541 1.00 40.42 C ATOM 954 O LEU A 60 -10.012 23.156 -3.411 1.00 71.53 O ATOM 955 CB LEU A 60 -10.037 25.803 -5.751 1.00 35.11 C ATOM 956 CG LEU A 60 -10.409 26.986 -4.856 1.00 31.41 C ATOM 957 CD1 LEU A 60 -9.221 27.920 -4.685 1.00 72.30 C ATOM 958 CD2 LEU A 60 -11.601 27.736 -5.431 1.00 75.12 C ATOM 0 H LEU A 60 -7.307 24.324 -5.843 1.00 42.35 H new ATOM 0 HA LEU A 60 -8.661 25.104 -4.255 1.00 71.43 H new ATOM 0 HB2 LEU A 60 -9.468 26.181 -6.600 1.00 35.11 H new ATOM 0 HB3 LEU A 60 -10.955 25.372 -6.149 1.00 35.11 H new ATOM 0 HG LEU A 60 -10.687 26.601 -3.875 1.00 31.41 H new ATOM 0 HD11 LEU A 60 -9.504 28.756 -4.045 1.00 72.30 H new ATOM 0 HD12 LEU A 60 -8.394 27.377 -4.227 1.00 72.30 H new ATOM 0 HD13 LEU A 60 -8.912 28.298 -5.660 1.00 72.30 H new ATOM 0 HD21 LEU A 60 -11.851 28.574 -4.781 1.00 75.12 H new ATOM 0 HD22 LEU A 60 -11.351 28.109 -6.424 1.00 75.12 H new ATOM 0 HD23 LEU A 60 -12.455 27.063 -5.500 1.00 75.12 H new TER 970 LEU A 60