USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 53 THR OG1 : rot 106:sc= 2 USER MOD Set 1.2: A 56 SER OG : rot -16:sc= 1.68 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= -0.39 USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00594 USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.06) USER MOD Single : A 29 SER OG : rot 83:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 42:sc= 1.07 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -0.0112 (180deg=-0.229) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 98:sc= 0.216 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.19 K(o=0.19,f=-5!) USER MOD Single : A 50 SER OG : rot -157:sc= 1.02 USER MOD Single : A 57 LYS NZ :NH3+ -155:sc= 1.13 (180deg=0.326) USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= 0.482 (180deg=0.467) USER MOD Single : A 68 SER OG : rot -105:sc= 1.04 USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= 2.3 (180deg=0.851) USER MOD Single : A 77 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.706) USER MOD Single : A 78 THR OG1 : rot -79:sc= 0.102 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N PHE A 6 13.073 -2.475 -8.109 1.00 64.34 N ATOM 62 CA PHE A 6 13.428 -2.650 -6.710 1.00 72.31 C ATOM 63 C PHE A 6 14.358 -3.845 -6.553 1.00 50.11 C ATOM 64 O PHE A 6 14.694 -4.510 -7.531 1.00 32.30 O ATOM 65 CB PHE A 6 12.178 -2.839 -5.848 1.00 35.20 C ATOM 66 CG PHE A 6 11.440 -1.561 -5.578 1.00 13.10 C ATOM 67 CD1 PHE A 6 11.994 -0.595 -4.753 1.00 21.32 C ATOM 68 CD2 PHE A 6 10.201 -1.323 -6.144 1.00 63.11 C ATOM 69 CE1 PHE A 6 11.325 0.584 -4.497 1.00 40.22 C ATOM 70 CE2 PHE A 6 9.527 -0.145 -5.893 1.00 74.42 C ATOM 71 CZ PHE A 6 10.090 0.809 -5.067 1.00 63.13 C ATOM 0 HA PHE A 6 13.942 -1.750 -6.372 1.00 72.31 H new ATOM 0 HB2 PHE A 6 11.506 -3.540 -6.344 1.00 35.20 H new ATOM 0 HB3 PHE A 6 12.466 -3.291 -4.899 1.00 35.20 H new ATOM 0 HD1 PHE A 6 12.961 -0.767 -4.305 1.00 21.32 H new ATOM 0 HD2 PHE A 6 9.756 -2.066 -6.789 1.00 63.11 H new ATOM 0 HE1 PHE A 6 11.767 1.329 -3.852 1.00 40.22 H new ATOM 0 HE2 PHE A 6 8.561 0.031 -6.342 1.00 74.42 H new ATOM 0 HZ PHE A 6 9.563 1.730 -4.868 1.00 63.13 H new ATOM 81 N ILE A 7 14.784 -4.106 -5.323 1.00 35.11 N ATOM 82 CA ILE A 7 15.615 -5.267 -5.039 1.00 22.13 C ATOM 83 C ILE A 7 14.798 -6.537 -5.242 1.00 42.50 C ATOM 84 O ILE A 7 15.192 -7.434 -5.988 1.00 72.13 O ATOM 85 CB ILE A 7 16.170 -5.232 -3.597 1.00 52.21 C ATOM 86 CG1 ILE A 7 16.936 -3.928 -3.349 1.00 43.44 C ATOM 87 CG2 ILE A 7 17.069 -6.435 -3.348 1.00 2.52 C ATOM 88 CD1 ILE A 7 17.416 -3.764 -1.922 1.00 53.14 C ATOM 0 H ILE A 7 14.568 -3.530 -4.509 1.00 35.11 H new ATOM 0 HA ILE A 7 16.463 -5.252 -5.724 1.00 22.13 H new ATOM 0 HB ILE A 7 15.332 -5.276 -2.901 1.00 52.21 H new ATOM 0 HG12 ILE A 7 17.795 -3.889 -4.018 1.00 43.44 H new ATOM 0 HG13 ILE A 7 16.294 -3.086 -3.606 1.00 43.44 H new ATOM 0 HG21 ILE A 7 17.453 -6.397 -2.329 1.00 2.52 H new ATOM 0 HG22 ILE A 7 16.496 -7.352 -3.487 1.00 2.52 H new ATOM 0 HG23 ILE A 7 17.902 -6.418 -4.050 1.00 2.52 H new ATOM 0 HD11 ILE A 7 17.949 -2.818 -1.824 1.00 53.14 H new ATOM 0 HD12 ILE A 7 16.560 -3.770 -1.247 1.00 53.14 H new ATOM 0 HD13 ILE A 7 18.085 -4.586 -1.666 1.00 53.14 H new ATOM 100 N ILE A 8 13.649 -6.597 -4.585 1.00 41.11 N ATOM 101 CA ILE A 8 12.723 -7.700 -4.774 1.00 11.31 C ATOM 102 C ILE A 8 11.763 -7.376 -5.907 1.00 23.41 C ATOM 103 O ILE A 8 11.128 -6.321 -5.914 1.00 53.22 O ATOM 104 CB ILE A 8 11.933 -8.005 -3.484 1.00 13.22 C ATOM 105 CG1 ILE A 8 12.896 -8.461 -2.387 1.00 4.13 C ATOM 106 CG2 ILE A 8 10.864 -9.062 -3.740 1.00 34.44 C ATOM 107 CD1 ILE A 8 12.223 -8.755 -1.062 1.00 51.33 C ATOM 0 H ILE A 8 13.337 -5.893 -3.916 1.00 41.11 H new ATOM 0 HA ILE A 8 13.303 -8.588 -5.027 1.00 11.31 H new ATOM 0 HB ILE A 8 11.428 -7.096 -3.156 1.00 13.22 H new ATOM 0 HG12 ILE A 8 13.418 -9.356 -2.725 1.00 4.13 H new ATOM 0 HG13 ILE A 8 13.651 -7.689 -2.236 1.00 4.13 H new ATOM 0 HG21 ILE A 8 10.320 -9.261 -2.816 1.00 34.44 H new ATOM 0 HG22 ILE A 8 10.170 -8.701 -4.499 1.00 34.44 H new ATOM 0 HG23 ILE A 8 11.337 -9.981 -4.087 1.00 34.44 H new ATOM 0 HD11 ILE A 8 12.972 -9.072 -0.336 1.00 51.33 H new ATOM 0 HD12 ILE A 8 11.725 -7.856 -0.700 1.00 51.33 H new ATOM 0 HD13 ILE A 8 11.488 -9.549 -1.195 1.00 51.33 H new ATOM 119 N LYS A 9 11.682 -8.271 -6.872 1.00 64.24 N ATOM 120 CA LYS A 9 10.830 -8.071 -8.028 1.00 10.40 C ATOM 121 C LYS A 9 9.487 -8.763 -7.834 1.00 13.20 C ATOM 122 O LYS A 9 9.228 -9.335 -6.777 1.00 21.54 O ATOM 123 CB LYS A 9 11.537 -8.574 -9.283 1.00 50.11 C ATOM 124 CG LYS A 9 12.732 -7.714 -9.674 1.00 21.15 C ATOM 125 CD LYS A 9 13.447 -8.249 -10.905 1.00 52.02 C ATOM 126 CE LYS A 9 14.058 -9.618 -10.652 1.00 1.21 C ATOM 127 NZ LYS A 9 14.846 -10.095 -11.818 1.00 65.03 N ATOM 0 H LYS A 9 12.200 -9.150 -6.878 1.00 64.24 H new ATOM 0 HA LYS A 9 10.634 -7.005 -8.146 1.00 10.40 H new ATOM 0 HB2 LYS A 9 11.871 -9.599 -9.120 1.00 50.11 H new ATOM 0 HB3 LYS A 9 10.827 -8.598 -10.109 1.00 50.11 H new ATOM 0 HG2 LYS A 9 12.397 -6.695 -9.865 1.00 21.15 H new ATOM 0 HG3 LYS A 9 13.433 -7.668 -8.840 1.00 21.15 H new ATOM 0 HD2 LYS A 9 12.743 -8.313 -11.735 1.00 52.02 H new ATOM 0 HD3 LYS A 9 14.229 -7.551 -11.203 1.00 52.02 H new ATOM 0 HE2 LYS A 9 14.701 -9.572 -9.773 1.00 1.21 H new ATOM 0 HE3 LYS A 9 13.266 -10.334 -10.431 1.00 1.21 H new ATOM 0 HZ1 LYS A 9 15.246 -11.031 -11.607 1.00 65.03 H new ATOM 0 HZ2 LYS A 9 14.227 -10.163 -12.651 1.00 65.03 H new ATOM 0 HZ3 LYS A 9 15.617 -9.425 -12.013 1.00 65.03 H new ATOM 141 N GLU A 10 8.633 -8.689 -8.848 1.00 1.12 N ATOM 142 CA GLU A 10 7.283 -9.228 -8.759 1.00 43.02 C ATOM 143 C GLU A 10 7.276 -10.747 -8.644 1.00 23.34 C ATOM 144 O GLU A 10 8.293 -11.412 -8.854 1.00 40.40 O ATOM 145 CB GLU A 10 6.477 -8.795 -9.975 1.00 72.20 C ATOM 146 CG GLU A 10 5.613 -7.575 -9.731 1.00 61.45 C ATOM 147 CD GLU A 10 4.378 -7.910 -8.921 1.00 50.43 C ATOM 148 OE1 GLU A 10 3.496 -8.614 -9.460 1.00 34.32 O ATOM 149 OE2 GLU A 10 4.277 -7.477 -7.761 1.00 22.31 O ATOM 0 H GLU A 10 8.854 -8.258 -9.746 1.00 1.12 H new ATOM 0 HA GLU A 10 6.829 -8.832 -7.851 1.00 43.02 H new ATOM 0 HB2 GLU A 10 7.161 -8.586 -10.797 1.00 72.20 H new ATOM 0 HB3 GLU A 10 5.841 -9.622 -10.292 1.00 72.20 H new ATOM 0 HG2 GLU A 10 6.195 -6.817 -9.208 1.00 61.45 H new ATOM 0 HG3 GLU A 10 5.314 -7.145 -10.687 1.00 61.45 H new ATOM 156 N GLY A 11 6.112 -11.284 -8.316 1.00 42.43 N ATOM 157 CA GLY A 11 5.964 -12.706 -8.141 1.00 42.31 C ATOM 158 C GLY A 11 4.628 -13.048 -7.523 1.00 31.02 C ATOM 159 O GLY A 11 3.851 -12.152 -7.188 1.00 53.32 O ATOM 0 H GLY A 11 5.257 -10.748 -8.167 1.00 42.43 H new ATOM 0 HA2 GLY A 11 6.059 -13.205 -9.105 1.00 42.31 H new ATOM 0 HA3 GLY A 11 6.767 -13.082 -7.507 1.00 42.31 H new ATOM 163 N ASP A 12 4.365 -14.333 -7.356 1.00 33.13 N ATOM 164 CA ASP A 12 3.092 -14.793 -6.801 1.00 30.03 C ATOM 165 C ASP A 12 3.017 -14.566 -5.294 1.00 33.14 C ATOM 166 O ASP A 12 1.936 -14.585 -4.708 1.00 21.23 O ATOM 167 CB ASP A 12 2.850 -16.269 -7.126 1.00 30.23 C ATOM 168 CG ASP A 12 4.003 -17.167 -6.726 1.00 5.32 C ATOM 169 OD1 ASP A 12 4.153 -17.462 -5.525 1.00 14.43 O ATOM 170 OD2 ASP A 12 4.770 -17.583 -7.622 1.00 50.45 O ATOM 0 H ASP A 12 5.014 -15.082 -7.596 1.00 33.13 H new ATOM 0 HA ASP A 12 2.307 -14.200 -7.270 1.00 30.03 H new ATOM 0 HB2 ASP A 12 1.945 -16.602 -6.617 1.00 30.23 H new ATOM 0 HB3 ASP A 12 2.671 -16.374 -8.196 1.00 30.23 H new ATOM 175 N GLU A 13 4.166 -14.350 -4.673 1.00 33.22 N ATOM 176 CA GLU A 13 4.217 -14.028 -3.251 1.00 53.34 C ATOM 177 C GLU A 13 4.432 -12.533 -3.066 1.00 61.53 C ATOM 178 O GLU A 13 4.565 -12.044 -1.946 1.00 53.14 O ATOM 179 CB GLU A 13 5.352 -14.785 -2.558 1.00 54.41 C ATOM 180 CG GLU A 13 5.235 -16.295 -2.646 1.00 32.33 C ATOM 181 CD GLU A 13 6.462 -16.998 -2.102 1.00 70.13 C ATOM 182 OE1 GLU A 13 7.550 -16.851 -2.705 1.00 74.32 O ATOM 183 OE2 GLU A 13 6.347 -17.706 -1.082 1.00 71.44 O ATOM 0 H GLU A 13 5.077 -14.391 -5.129 1.00 33.22 H new ATOM 0 HA GLU A 13 3.269 -14.327 -2.804 1.00 53.34 H new ATOM 0 HB2 GLU A 13 6.301 -14.479 -2.999 1.00 54.41 H new ATOM 0 HB3 GLU A 13 5.380 -14.494 -1.508 1.00 54.41 H new ATOM 0 HG2 GLU A 13 4.355 -16.622 -2.092 1.00 32.33 H new ATOM 0 HG3 GLU A 13 5.083 -16.586 -3.685 1.00 32.33 H new ATOM 190 N VAL A 14 4.462 -11.811 -4.175 1.00 5.31 N ATOM 191 CA VAL A 14 4.800 -10.396 -4.160 1.00 73.34 C ATOM 192 C VAL A 14 3.590 -9.533 -4.505 1.00 44.42 C ATOM 193 O VAL A 14 2.822 -9.849 -5.415 1.00 32.11 O ATOM 194 CB VAL A 14 5.949 -10.090 -5.148 1.00 11.24 C ATOM 195 CG1 VAL A 14 6.325 -8.618 -5.110 1.00 15.01 C ATOM 196 CG2 VAL A 14 7.164 -10.953 -4.845 1.00 44.21 C ATOM 0 H VAL A 14 4.255 -12.184 -5.102 1.00 5.31 H new ATOM 0 HA VAL A 14 5.126 -10.154 -3.148 1.00 73.34 H new ATOM 0 HB VAL A 14 5.597 -10.326 -6.152 1.00 11.24 H new ATOM 0 HG11 VAL A 14 7.135 -8.431 -5.815 1.00 15.01 H new ATOM 0 HG12 VAL A 14 5.460 -8.014 -5.384 1.00 15.01 H new ATOM 0 HG13 VAL A 14 6.650 -8.351 -4.104 1.00 15.01 H new ATOM 0 HG21 VAL A 14 7.960 -10.721 -5.552 1.00 44.21 H new ATOM 0 HG22 VAL A 14 7.509 -10.752 -3.831 1.00 44.21 H new ATOM 0 HG23 VAL A 14 6.894 -12.005 -4.934 1.00 44.21 H new ATOM 206 N ALA A 15 3.419 -8.457 -3.754 1.00 25.21 N ATOM 207 CA ALA A 15 2.384 -7.479 -4.024 1.00 3.43 C ATOM 208 C ALA A 15 2.980 -6.079 -3.996 1.00 35.41 C ATOM 209 O ALA A 15 3.387 -5.588 -2.941 1.00 72.24 O ATOM 210 CB ALA A 15 1.251 -7.602 -3.017 1.00 63.50 C ATOM 0 H ALA A 15 3.995 -8.239 -2.941 1.00 25.21 H new ATOM 0 HA ALA A 15 1.971 -7.667 -5.015 1.00 3.43 H new ATOM 0 HB1 ALA A 15 0.485 -6.859 -3.238 1.00 63.50 H new ATOM 0 HB2 ALA A 15 0.817 -8.600 -3.078 1.00 63.50 H new ATOM 0 HB3 ALA A 15 1.638 -7.436 -2.012 1.00 63.50 H new ATOM 216 N ASP A 16 3.063 -5.454 -5.157 1.00 1.21 N ATOM 217 CA ASP A 16 3.638 -4.124 -5.262 1.00 45.11 C ATOM 218 C ASP A 16 2.550 -3.071 -5.255 1.00 22.20 C ATOM 219 O ASP A 16 1.533 -3.197 -5.943 1.00 73.22 O ATOM 220 CB ASP A 16 4.477 -4.002 -6.527 1.00 33.21 C ATOM 221 CG ASP A 16 5.217 -2.683 -6.626 1.00 63.54 C ATOM 222 OD1 ASP A 16 6.067 -2.413 -5.756 1.00 24.14 O ATOM 223 OD2 ASP A 16 4.992 -1.943 -7.603 1.00 43.33 O ATOM 0 H ASP A 16 2.739 -5.846 -6.041 1.00 1.21 H new ATOM 0 HA ASP A 16 4.283 -3.964 -4.398 1.00 45.11 H new ATOM 0 HB2 ASP A 16 5.198 -4.819 -6.558 1.00 33.21 H new ATOM 0 HB3 ASP A 16 3.830 -4.115 -7.397 1.00 33.21 H new ATOM 228 N VAL A 17 2.773 -2.033 -4.483 1.00 50.23 N ATOM 229 CA VAL A 17 1.776 -0.994 -4.286 1.00 31.35 C ATOM 230 C VAL A 17 2.420 0.383 -4.238 1.00 3.33 C ATOM 231 O VAL A 17 3.588 0.526 -3.892 1.00 2.32 O ATOM 232 CB VAL A 17 0.968 -1.241 -2.992 1.00 0.14 C ATOM 233 CG1 VAL A 17 1.839 -1.068 -1.756 1.00 25.42 C ATOM 234 CG2 VAL A 17 -0.264 -0.347 -2.926 1.00 40.45 C ATOM 0 H VAL A 17 3.644 -1.881 -3.974 1.00 50.23 H new ATOM 0 HA VAL A 17 1.096 -1.030 -5.137 1.00 31.35 H new ATOM 0 HB VAL A 17 0.624 -2.275 -3.014 1.00 0.14 H new ATOM 0 HG11 VAL A 17 1.242 -1.248 -0.862 1.00 25.42 H new ATOM 0 HG12 VAL A 17 2.665 -1.779 -1.790 1.00 25.42 H new ATOM 0 HG13 VAL A 17 2.235 -0.053 -1.729 1.00 25.42 H new ATOM 0 HG21 VAL A 17 -0.809 -0.546 -2.004 1.00 40.45 H new ATOM 0 HG22 VAL A 17 0.044 0.698 -2.947 1.00 40.45 H new ATOM 0 HG23 VAL A 17 -0.909 -0.553 -3.780 1.00 40.45 H new ATOM 244 N THR A 18 1.650 1.382 -4.605 1.00 65.42 N ATOM 245 CA THR A 18 2.117 2.754 -4.606 1.00 63.31 C ATOM 246 C THR A 18 1.068 3.656 -3.964 1.00 34.03 C ATOM 247 O THR A 18 -0.101 3.625 -4.347 1.00 25.34 O ATOM 248 CB THR A 18 2.413 3.229 -6.043 1.00 52.35 C ATOM 249 OG1 THR A 18 3.287 2.295 -6.692 1.00 25.32 O ATOM 250 CG2 THR A 18 3.057 4.608 -6.048 1.00 52.33 C ATOM 0 H THR A 18 0.684 1.269 -4.911 1.00 65.42 H new ATOM 0 HA THR A 18 3.041 2.807 -4.030 1.00 63.31 H new ATOM 0 HB THR A 18 1.466 3.289 -6.579 1.00 52.35 H new ATOM 0 HG1 THR A 18 3.471 2.600 -7.605 1.00 25.32 H new ATOM 0 HG21 THR A 18 3.253 4.914 -7.076 1.00 52.33 H new ATOM 0 HG22 THR A 18 2.384 5.325 -5.578 1.00 52.33 H new ATOM 0 HG23 THR A 18 3.995 4.573 -5.494 1.00 52.33 H new ATOM 258 N ILE A 19 1.480 4.437 -2.978 1.00 11.32 N ATOM 259 CA ILE A 19 0.565 5.347 -2.298 1.00 15.51 C ATOM 260 C ILE A 19 0.719 6.751 -2.871 1.00 73.12 C ATOM 261 O ILE A 19 1.830 7.168 -3.203 1.00 30.32 O ATOM 262 CB ILE A 19 0.820 5.394 -0.774 1.00 25.31 C ATOM 263 CG1 ILE A 19 0.931 3.976 -0.201 1.00 21.22 C ATOM 264 CG2 ILE A 19 -0.292 6.163 -0.069 1.00 70.12 C ATOM 265 CD1 ILE A 19 1.298 3.938 1.268 1.00 71.30 C ATOM 0 H ILE A 19 2.438 4.461 -2.630 1.00 11.32 H new ATOM 0 HA ILE A 19 -0.447 4.976 -2.461 1.00 15.51 H new ATOM 0 HB ILE A 19 1.764 5.912 -0.602 1.00 25.31 H new ATOM 0 HG12 ILE A 19 -0.020 3.462 -0.342 1.00 21.22 H new ATOM 0 HG13 ILE A 19 1.680 3.423 -0.768 1.00 21.22 H new ATOM 0 HG21 ILE A 19 -0.096 6.186 1.003 1.00 70.12 H new ATOM 0 HG22 ILE A 19 -0.329 7.183 -0.453 1.00 70.12 H new ATOM 0 HG23 ILE A 19 -1.247 5.671 -0.252 1.00 70.12 H new ATOM 0 HD11 ILE A 19 1.358 2.902 1.601 1.00 71.30 H new ATOM 0 HD12 ILE A 19 2.263 4.423 1.415 1.00 71.30 H new ATOM 0 HD13 ILE A 19 0.537 4.462 1.847 1.00 71.30 H new ATOM 277 N PHE A 20 -0.389 7.466 -2.993 1.00 4.14 N ATOM 278 CA PHE A 20 -0.376 8.802 -3.562 1.00 14.14 C ATOM 279 C PHE A 20 -1.040 9.792 -2.620 1.00 25.22 C ATOM 280 O PHE A 20 -2.063 9.486 -2.002 1.00 43.12 O ATOM 281 CB PHE A 20 -1.111 8.830 -4.900 1.00 63.42 C ATOM 282 CG PHE A 20 -0.599 7.847 -5.916 1.00 40.15 C ATOM 283 CD1 PHE A 20 0.496 8.157 -6.704 1.00 52.33 C ATOM 284 CD2 PHE A 20 -1.220 6.622 -6.091 1.00 0.32 C ATOM 285 CE1 PHE A 20 0.964 7.263 -7.647 1.00 33.43 C ATOM 286 CE2 PHE A 20 -0.755 5.722 -7.032 1.00 1.30 C ATOM 287 CZ PHE A 20 0.337 6.043 -7.812 1.00 43.24 C ATOM 0 H PHE A 20 -1.311 7.140 -2.704 1.00 4.14 H new ATOM 0 HA PHE A 20 0.666 9.083 -3.714 1.00 14.14 H new ATOM 0 HB2 PHE A 20 -2.168 8.632 -4.723 1.00 63.42 H new ATOM 0 HB3 PHE A 20 -1.040 9.834 -5.318 1.00 63.42 H new ATOM 0 HD1 PHE A 20 0.990 9.109 -6.580 1.00 52.33 H new ATOM 0 HD2 PHE A 20 -2.077 6.367 -5.486 1.00 0.32 H new ATOM 0 HE1 PHE A 20 1.820 7.517 -8.255 1.00 33.43 H new ATOM 0 HE2 PHE A 20 -1.246 4.768 -7.156 1.00 1.30 H new ATOM 0 HZ PHE A 20 0.701 5.343 -8.549 1.00 43.24 H new ATOM 297 N ALA A 21 -0.455 10.973 -2.528 1.00 32.43 N ATOM 298 CA ALA A 21 -1.010 12.078 -1.757 1.00 13.23 C ATOM 299 C ALA A 21 -0.168 13.317 -1.995 1.00 34.15 C ATOM 300 O ALA A 21 0.994 13.212 -2.374 1.00 54.15 O ATOM 301 CB ALA A 21 -1.080 11.754 -0.271 1.00 12.43 C ATOM 0 H ALA A 21 0.427 11.197 -2.989 1.00 32.43 H new ATOM 0 HA ALA A 21 -2.033 12.255 -2.090 1.00 13.23 H new ATOM 0 HB1 ALA A 21 -1.499 12.604 0.267 1.00 12.43 H new ATOM 0 HB2 ALA A 21 -1.713 10.880 -0.119 1.00 12.43 H new ATOM 0 HB3 ALA A 21 -0.078 11.546 0.104 1.00 12.43 H new ATOM 307 N GLU A 22 -0.746 14.484 -1.780 1.00 62.10 N ATOM 308 CA GLU A 22 -0.058 15.726 -2.088 1.00 44.02 C ATOM 309 C GLU A 22 1.039 16.044 -1.074 1.00 62.25 C ATOM 310 O GLU A 22 1.979 16.777 -1.384 1.00 73.45 O ATOM 311 CB GLU A 22 -1.054 16.874 -2.172 1.00 73.01 C ATOM 312 CG GLU A 22 -2.070 16.696 -3.286 1.00 15.04 C ATOM 313 CD GLU A 22 -1.416 16.454 -4.635 1.00 40.30 C ATOM 314 OE1 GLU A 22 -0.536 17.251 -5.026 1.00 40.43 O ATOM 315 OE2 GLU A 22 -1.774 15.460 -5.303 1.00 30.45 O ATOM 0 H GLU A 22 -1.684 14.599 -1.396 1.00 62.10 H new ATOM 0 HA GLU A 22 0.425 15.599 -3.057 1.00 44.02 H new ATOM 0 HB2 GLU A 22 -1.578 16.964 -1.220 1.00 73.01 H new ATOM 0 HB3 GLU A 22 -0.513 17.807 -2.327 1.00 73.01 H new ATOM 0 HG2 GLU A 22 -2.724 15.857 -3.047 1.00 15.04 H new ATOM 0 HG3 GLU A 22 -2.699 17.584 -3.345 1.00 15.04 H new ATOM 322 N THR A 23 0.934 15.499 0.127 1.00 40.10 N ATOM 323 CA THR A 23 1.944 15.743 1.136 1.00 70.14 C ATOM 324 C THR A 23 2.687 14.461 1.486 1.00 61.42 C ATOM 325 O THR A 23 2.085 13.389 1.587 1.00 31.21 O ATOM 326 CB THR A 23 1.334 16.355 2.410 1.00 1.01 C ATOM 327 OG1 THR A 23 0.179 15.609 2.816 1.00 14.20 O ATOM 328 CG2 THR A 23 0.953 17.812 2.186 1.00 64.20 C ATOM 0 H THR A 23 0.169 14.893 0.422 1.00 40.10 H new ATOM 0 HA THR A 23 2.651 16.458 0.715 1.00 70.14 H new ATOM 0 HB THR A 23 2.086 16.311 3.198 1.00 1.01 H new ATOM 0 HG1 THR A 23 -0.199 16.007 3.628 1.00 14.20 H new ATOM 0 HG21 THR A 23 0.524 18.221 3.101 1.00 64.20 H new ATOM 0 HG22 THR A 23 1.841 18.383 1.915 1.00 64.20 H new ATOM 0 HG23 THR A 23 0.220 17.877 1.382 1.00 64.20 H new ATOM 336 N LYS A 24 3.995 14.581 1.669 1.00 12.33 N ATOM 337 CA LYS A 24 4.835 13.445 2.035 1.00 52.24 C ATOM 338 C LYS A 24 4.403 12.903 3.384 1.00 33.44 C ATOM 339 O LYS A 24 4.443 11.700 3.634 1.00 55.41 O ATOM 340 CB LYS A 24 6.303 13.869 2.092 1.00 22.43 C ATOM 341 CG LYS A 24 7.264 12.729 2.403 1.00 52.34 C ATOM 342 CD LYS A 24 8.710 13.204 2.394 1.00 3.41 C ATOM 343 CE LYS A 24 8.965 14.266 3.452 1.00 61.02 C ATOM 344 NZ LYS A 24 9.048 13.691 4.820 1.00 3.21 N ATOM 0 H LYS A 24 4.502 15.460 1.569 1.00 12.33 H new ATOM 0 HA LYS A 24 4.724 12.666 1.281 1.00 52.24 H new ATOM 0 HB2 LYS A 24 6.580 14.314 1.136 1.00 22.43 H new ATOM 0 HB3 LYS A 24 6.418 14.644 2.849 1.00 22.43 H new ATOM 0 HG2 LYS A 24 7.025 12.305 3.378 1.00 52.34 H new ATOM 0 HG3 LYS A 24 7.136 11.933 1.669 1.00 52.34 H new ATOM 0 HD2 LYS A 24 9.372 12.355 2.565 1.00 3.41 H new ATOM 0 HD3 LYS A 24 8.954 13.606 1.410 1.00 3.41 H new ATOM 0 HE2 LYS A 24 9.894 14.788 3.223 1.00 61.02 H new ATOM 0 HE3 LYS A 24 8.166 15.007 3.420 1.00 61.02 H new ATOM 0 HZ1 LYS A 24 8.967 14.454 5.523 1.00 3.21 H new ATOM 0 HZ2 LYS A 24 8.274 13.010 4.958 1.00 3.21 H new ATOM 0 HZ3 LYS A 24 9.961 13.207 4.938 1.00 3.21 H new ATOM 358 N ASP A 25 3.977 13.809 4.243 1.00 51.22 N ATOM 359 CA ASP A 25 3.475 13.444 5.557 1.00 51.05 C ATOM 360 C ASP A 25 2.273 12.520 5.433 1.00 55.24 C ATOM 361 O ASP A 25 2.128 11.578 6.208 1.00 21.01 O ATOM 362 CB ASP A 25 3.086 14.688 6.347 1.00 20.20 C ATOM 363 CG ASP A 25 2.737 14.365 7.784 1.00 11.13 C ATOM 364 OD1 ASP A 25 3.661 14.071 8.570 1.00 44.22 O ATOM 365 OD2 ASP A 25 1.539 14.402 8.135 1.00 53.24 O ATOM 0 H ASP A 25 3.968 14.811 4.054 1.00 51.22 H new ATOM 0 HA ASP A 25 4.270 12.921 6.088 1.00 51.05 H new ATOM 0 HB2 ASP A 25 3.909 15.402 6.326 1.00 20.20 H new ATOM 0 HB3 ASP A 25 2.234 15.170 5.867 1.00 20.20 H new ATOM 370 N ALA A 26 1.419 12.777 4.444 1.00 72.55 N ATOM 371 CA ALA A 26 0.262 11.923 4.209 1.00 33.21 C ATOM 372 C ALA A 26 0.713 10.556 3.721 1.00 24.53 C ATOM 373 O ALA A 26 0.156 9.529 4.120 1.00 21.31 O ATOM 374 CB ALA A 26 -0.693 12.563 3.212 1.00 22.34 C ATOM 0 H ALA A 26 1.507 13.563 3.799 1.00 72.55 H new ATOM 0 HA ALA A 26 -0.273 11.799 5.150 1.00 33.21 H new ATOM 0 HB1 ALA A 26 -1.548 11.906 3.054 1.00 22.34 H new ATOM 0 HB2 ALA A 26 -1.038 13.520 3.602 1.00 22.34 H new ATOM 0 HB3 ALA A 26 -0.177 12.722 2.265 1.00 22.34 H new ATOM 380 N LEU A 27 1.732 10.555 2.868 1.00 30.22 N ATOM 381 CA LEU A 27 2.365 9.325 2.414 1.00 12.13 C ATOM 382 C LEU A 27 2.840 8.511 3.606 1.00 13.12 C ATOM 383 O LEU A 27 2.461 7.355 3.775 1.00 72.43 O ATOM 384 CB LEU A 27 3.569 9.642 1.515 1.00 65.05 C ATOM 385 CG LEU A 27 3.294 9.790 0.015 1.00 34.53 C ATOM 386 CD1 LEU A 27 2.257 10.858 -0.250 1.00 42.05 C ATOM 387 CD2 LEU A 27 4.587 10.115 -0.720 1.00 61.33 C ATOM 0 H LEU A 27 2.140 11.403 2.474 1.00 30.22 H new ATOM 0 HA LEU A 27 1.631 8.753 1.847 1.00 12.13 H new ATOM 0 HB2 LEU A 27 4.023 10.567 1.870 1.00 65.05 H new ATOM 0 HB3 LEU A 27 4.309 8.853 1.648 1.00 65.05 H new ATOM 0 HG LEU A 27 2.900 8.843 -0.354 1.00 34.53 H new ATOM 0 HD11 LEU A 27 2.084 10.939 -1.323 1.00 42.05 H new ATOM 0 HD12 LEU A 27 1.325 10.592 0.249 1.00 42.05 H new ATOM 0 HD13 LEU A 27 2.613 11.814 0.133 1.00 42.05 H new ATOM 0 HD21 LEU A 27 4.383 10.219 -1.786 1.00 61.33 H new ATOM 0 HD22 LEU A 27 4.999 11.049 -0.337 1.00 61.33 H new ATOM 0 HD23 LEU A 27 5.306 9.311 -0.565 1.00 61.33 H new ATOM 399 N GLU A 28 3.657 9.141 4.438 1.00 43.45 N ATOM 400 CA GLU A 28 4.254 8.493 5.586 1.00 71.53 C ATOM 401 C GLU A 28 3.202 8.026 6.589 1.00 62.15 C ATOM 402 O GLU A 28 3.301 6.924 7.130 1.00 53.32 O ATOM 403 CB GLU A 28 5.236 9.456 6.246 1.00 74.42 C ATOM 404 CG GLU A 28 6.428 9.792 5.363 1.00 35.01 C ATOM 405 CD GLU A 28 7.453 10.660 6.062 1.00 3.14 C ATOM 406 OE1 GLU A 28 8.283 10.110 6.815 1.00 34.34 O ATOM 407 OE2 GLU A 28 7.446 11.891 5.849 1.00 42.40 O ATOM 0 H GLU A 28 3.922 10.120 4.331 1.00 43.45 H new ATOM 0 HA GLU A 28 4.782 7.602 5.245 1.00 71.53 H new ATOM 0 HB2 GLU A 28 4.713 10.377 6.506 1.00 74.42 H new ATOM 0 HB3 GLU A 28 5.594 9.018 7.178 1.00 74.42 H new ATOM 0 HG2 GLU A 28 6.904 8.867 5.037 1.00 35.01 H new ATOM 0 HG3 GLU A 28 6.077 10.303 4.467 1.00 35.01 H new ATOM 414 N SER A 29 2.190 8.850 6.821 1.00 63.31 N ATOM 415 CA SER A 29 1.155 8.528 7.787 1.00 21.54 C ATOM 416 C SER A 29 0.336 7.314 7.350 1.00 1.35 C ATOM 417 O SER A 29 0.046 6.429 8.158 1.00 32.04 O ATOM 418 CB SER A 29 0.245 9.736 7.999 1.00 31.33 C ATOM 419 OG SER A 29 0.984 10.851 8.473 1.00 1.25 O ATOM 0 H SER A 29 2.066 9.747 6.352 1.00 63.31 H new ATOM 0 HA SER A 29 1.641 8.275 8.729 1.00 21.54 H new ATOM 0 HB2 SER A 29 -0.248 9.994 7.062 1.00 31.33 H new ATOM 0 HB3 SER A 29 -0.539 9.484 8.713 1.00 31.33 H new ATOM 0 HG SER A 29 1.409 11.307 7.717 1.00 1.25 H new ATOM 425 N GLU A 30 -0.026 7.265 6.074 1.00 74.43 N ATOM 426 CA GLU A 30 -0.806 6.149 5.557 1.00 60.31 C ATOM 427 C GLU A 30 0.085 4.927 5.371 1.00 41.53 C ATOM 428 O GLU A 30 -0.350 3.794 5.568 1.00 43.31 O ATOM 429 CB GLU A 30 -1.471 6.523 4.235 1.00 14.42 C ATOM 430 CG GLU A 30 -2.719 5.702 3.954 1.00 34.34 C ATOM 431 CD GLU A 30 -3.446 6.117 2.691 1.00 53.24 C ATOM 432 OE1 GLU A 30 -4.063 7.203 2.685 1.00 13.43 O ATOM 433 OE2 GLU A 30 -3.437 5.342 1.711 1.00 45.10 O ATOM 0 H GLU A 30 0.206 7.979 5.383 1.00 74.43 H new ATOM 0 HA GLU A 30 -1.587 5.910 6.279 1.00 60.31 H new ATOM 0 HB2 GLU A 30 -1.733 7.581 4.251 1.00 14.42 H new ATOM 0 HB3 GLU A 30 -0.758 6.383 3.422 1.00 14.42 H new ATOM 0 HG2 GLU A 30 -2.442 4.651 3.875 1.00 34.34 H new ATOM 0 HG3 GLU A 30 -3.400 5.790 4.801 1.00 34.34 H new ATOM 440 N LEU A 31 1.333 5.173 4.999 1.00 21.22 N ATOM 441 CA LEU A 31 2.332 4.113 4.861 1.00 52.54 C ATOM 442 C LEU A 31 2.401 3.278 6.128 1.00 44.10 C ATOM 443 O LEU A 31 2.388 2.048 6.080 1.00 33.44 O ATOM 444 CB LEU A 31 3.711 4.706 4.595 1.00 15.45 C ATOM 445 CG LEU A 31 4.810 3.684 4.287 1.00 44.53 C ATOM 446 CD1 LEU A 31 4.540 2.976 2.967 1.00 74.30 C ATOM 447 CD2 LEU A 31 6.176 4.353 4.273 1.00 22.25 C ATOM 0 H LEU A 31 1.684 6.106 4.784 1.00 21.22 H new ATOM 0 HA LEU A 31 2.034 3.485 4.021 1.00 52.54 H new ATOM 0 HB2 LEU A 31 3.636 5.399 3.757 1.00 15.45 H new ATOM 0 HB3 LEU A 31 4.012 5.289 5.465 1.00 15.45 H new ATOM 0 HG LEU A 31 4.806 2.933 5.077 1.00 44.53 H new ATOM 0 HD11 LEU A 31 5.334 2.256 2.771 1.00 74.30 H new ATOM 0 HD12 LEU A 31 3.584 2.456 3.022 1.00 74.30 H new ATOM 0 HD13 LEU A 31 4.508 3.709 2.161 1.00 74.30 H new ATOM 0 HD21 LEU A 31 6.943 3.610 4.052 1.00 22.25 H new ATOM 0 HD22 LEU A 31 6.193 5.130 3.509 1.00 22.25 H new ATOM 0 HD23 LEU A 31 6.373 4.799 5.248 1.00 22.25 H new ATOM 459 N ALA A 32 2.479 3.969 7.257 1.00 24.53 N ATOM 460 CA ALA A 32 2.529 3.317 8.564 1.00 52.31 C ATOM 461 C ALA A 32 1.345 2.370 8.758 1.00 21.34 C ATOM 462 O ALA A 32 1.490 1.303 9.359 1.00 0.24 O ATOM 463 CB ALA A 32 2.571 4.358 9.673 1.00 11.45 C ATOM 0 H ALA A 32 2.509 4.988 7.296 1.00 24.53 H new ATOM 0 HA ALA A 32 3.441 2.721 8.609 1.00 52.31 H new ATOM 0 HB1 ALA A 32 2.608 3.858 10.641 1.00 11.45 H new ATOM 0 HB2 ALA A 32 3.457 4.982 9.553 1.00 11.45 H new ATOM 0 HB3 ALA A 32 1.678 4.981 9.621 1.00 11.45 H new ATOM 469 N LYS A 33 0.185 2.752 8.231 1.00 4.53 N ATOM 470 CA LYS A 33 -1.006 1.921 8.304 1.00 12.44 C ATOM 471 C LYS A 33 -0.807 0.637 7.503 1.00 65.14 C ATOM 472 O LYS A 33 -1.148 -0.458 7.956 1.00 70.04 O ATOM 473 CB LYS A 33 -2.207 2.685 7.747 1.00 61.35 C ATOM 474 CG LYS A 33 -2.509 3.999 8.452 1.00 42.34 C ATOM 475 CD LYS A 33 -2.897 3.788 9.907 1.00 74.15 C ATOM 476 CE LYS A 33 -3.404 5.077 10.534 1.00 12.35 C ATOM 477 NZ LYS A 33 -3.687 4.920 11.984 1.00 42.22 N ATOM 0 H LYS A 33 0.048 3.639 7.746 1.00 4.53 H new ATOM 0 HA LYS A 33 -1.188 1.665 9.348 1.00 12.44 H new ATOM 0 HB2 LYS A 33 -2.033 2.887 6.690 1.00 61.35 H new ATOM 0 HB3 LYS A 33 -3.087 2.045 7.808 1.00 61.35 H new ATOM 0 HG2 LYS A 33 -1.635 4.648 8.400 1.00 42.34 H new ATOM 0 HG3 LYS A 33 -3.318 4.512 7.932 1.00 42.34 H new ATOM 0 HD2 LYS A 33 -3.668 3.021 9.973 1.00 74.15 H new ATOM 0 HD3 LYS A 33 -2.036 3.423 10.466 1.00 74.15 H new ATOM 0 HE2 LYS A 33 -2.663 5.864 10.393 1.00 12.35 H new ATOM 0 HE3 LYS A 33 -4.311 5.397 10.021 1.00 12.35 H new ATOM 0 HZ1 LYS A 33 -4.030 5.823 12.370 1.00 42.22 H new ATOM 0 HZ2 LYS A 33 -4.413 4.187 12.119 1.00 42.22 H new ATOM 0 HZ3 LYS A 33 -2.816 4.640 12.479 1.00 42.22 H new ATOM 491 N TYR A 34 -0.245 0.789 6.311 1.00 41.02 N ATOM 492 CA TYR A 34 -0.002 -0.341 5.415 1.00 40.12 C ATOM 493 C TYR A 34 1.031 -1.288 6.010 1.00 24.32 C ATOM 494 O TYR A 34 0.913 -2.503 5.879 1.00 42.11 O ATOM 495 CB TYR A 34 0.472 0.141 4.036 1.00 3.25 C ATOM 496 CG TYR A 34 -0.602 0.808 3.197 1.00 4.23 C ATOM 497 CD1 TYR A 34 -1.473 1.736 3.749 1.00 34.45 C ATOM 498 CD2 TYR A 34 -0.735 0.513 1.845 1.00 60.10 C ATOM 499 CE1 TYR A 34 -2.445 2.348 2.985 1.00 33.33 C ATOM 500 CE2 TYR A 34 -1.705 1.126 1.072 1.00 34.43 C ATOM 501 CZ TYR A 34 -2.556 2.043 1.649 1.00 21.24 C ATOM 502 OH TYR A 34 -3.516 2.666 0.887 1.00 44.44 O ATOM 0 H TYR A 34 0.054 1.690 5.937 1.00 41.02 H new ATOM 0 HA TYR A 34 -0.945 -0.874 5.294 1.00 40.12 H new ATOM 0 HB2 TYR A 34 1.295 0.842 4.174 1.00 3.25 H new ATOM 0 HB3 TYR A 34 0.869 -0.711 3.484 1.00 3.25 H new ATOM 0 HD1 TYR A 34 -1.389 1.984 4.797 1.00 34.45 H new ATOM 0 HD2 TYR A 34 -0.070 -0.207 1.391 1.00 60.10 H new ATOM 0 HE1 TYR A 34 -3.117 3.064 3.435 1.00 33.33 H new ATOM 0 HE2 TYR A 34 -1.795 0.887 0.023 1.00 34.43 H new ATOM 0 HH TYR A 34 -3.552 3.617 1.119 1.00 44.44 H new ATOM 512 N ILE A 35 2.036 -0.725 6.664 1.00 0.15 N ATOM 513 CA ILE A 35 3.073 -1.522 7.306 1.00 54.15 C ATOM 514 C ILE A 35 2.476 -2.381 8.423 1.00 15.50 C ATOM 515 O ILE A 35 2.827 -3.553 8.576 1.00 53.31 O ATOM 516 CB ILE A 35 4.199 -0.630 7.876 1.00 61.01 C ATOM 517 CG1 ILE A 35 4.851 0.177 6.745 1.00 73.10 C ATOM 518 CG2 ILE A 35 5.240 -1.476 8.596 1.00 72.31 C ATOM 519 CD1 ILE A 35 5.919 1.143 7.215 1.00 13.22 C ATOM 0 H ILE A 35 2.156 0.283 6.765 1.00 0.15 H new ATOM 0 HA ILE A 35 3.504 -2.173 6.545 1.00 54.15 H new ATOM 0 HB ILE A 35 3.766 0.062 8.598 1.00 61.01 H new ATOM 0 HG12 ILE A 35 5.291 -0.514 6.026 1.00 73.10 H new ATOM 0 HG13 ILE A 35 4.077 0.735 6.218 1.00 73.10 H new ATOM 0 HG21 ILE A 35 6.024 -0.830 8.990 1.00 72.31 H new ATOM 0 HG22 ILE A 35 4.767 -2.015 9.417 1.00 72.31 H new ATOM 0 HG23 ILE A 35 5.675 -2.190 7.897 1.00 72.31 H new ATOM 0 HD11 ILE A 35 6.331 1.675 6.358 1.00 13.22 H new ATOM 0 HD12 ILE A 35 5.481 1.859 7.910 1.00 13.22 H new ATOM 0 HD13 ILE A 35 6.714 0.591 7.716 1.00 13.22 H new ATOM 531 N GLU A 36 1.560 -1.796 9.186 1.00 25.40 N ATOM 532 CA GLU A 36 0.871 -2.513 10.242 1.00 52.35 C ATOM 533 C GLU A 36 0.031 -3.643 9.648 1.00 53.34 C ATOM 534 O GLU A 36 0.045 -4.772 10.139 1.00 20.13 O ATOM 535 CB GLU A 36 -0.006 -1.527 11.008 1.00 72.31 C ATOM 536 CG GLU A 36 -0.182 -1.844 12.480 1.00 0.50 C ATOM 537 CD GLU A 36 -1.087 -3.033 12.742 1.00 72.42 C ATOM 538 OE1 GLU A 36 -2.314 -2.908 12.537 1.00 70.32 O ATOM 539 OE2 GLU A 36 -0.577 -4.090 13.172 1.00 62.43 O ATOM 0 H GLU A 36 1.279 -0.820 9.089 1.00 25.40 H new ATOM 0 HA GLU A 36 1.593 -2.959 10.926 1.00 52.35 H new ATOM 0 HB2 GLU A 36 0.425 -0.530 10.914 1.00 72.31 H new ATOM 0 HB3 GLU A 36 -0.989 -1.495 10.538 1.00 72.31 H new ATOM 0 HG2 GLU A 36 0.796 -2.039 12.920 1.00 0.50 H new ATOM 0 HG3 GLU A 36 -0.591 -0.969 12.985 1.00 0.50 H new ATOM 546 N LEU A 37 -0.682 -3.332 8.573 1.00 53.22 N ATOM 547 CA LEU A 37 -1.478 -4.328 7.865 1.00 13.53 C ATOM 548 C LEU A 37 -0.591 -5.422 7.279 1.00 51.44 C ATOM 549 O LEU A 37 -0.990 -6.585 7.206 1.00 11.15 O ATOM 550 CB LEU A 37 -2.293 -3.668 6.753 1.00 24.40 C ATOM 551 CG LEU A 37 -3.415 -2.749 7.231 1.00 73.33 C ATOM 552 CD1 LEU A 37 -4.037 -2.023 6.051 1.00 64.03 C ATOM 553 CD2 LEU A 37 -4.474 -3.549 7.975 1.00 61.13 C ATOM 0 H LEU A 37 -0.726 -2.396 8.171 1.00 53.22 H new ATOM 0 HA LEU A 37 -2.159 -4.784 8.583 1.00 13.53 H new ATOM 0 HB2 LEU A 37 -1.617 -3.092 6.121 1.00 24.40 H new ATOM 0 HB3 LEU A 37 -2.726 -4.449 6.128 1.00 24.40 H new ATOM 0 HG LEU A 37 -2.994 -2.011 7.914 1.00 73.33 H new ATOM 0 HD11 LEU A 37 -4.836 -1.371 6.405 1.00 64.03 H new ATOM 0 HD12 LEU A 37 -3.276 -1.425 5.549 1.00 64.03 H new ATOM 0 HD13 LEU A 37 -4.447 -2.751 5.351 1.00 64.03 H new ATOM 0 HD21 LEU A 37 -5.267 -2.880 8.309 1.00 61.13 H new ATOM 0 HD22 LEU A 37 -4.893 -4.305 7.310 1.00 61.13 H new ATOM 0 HD23 LEU A 37 -4.022 -4.036 8.839 1.00 61.13 H new ATOM 565 N ALA A 38 0.618 -5.047 6.880 1.00 53.31 N ATOM 566 CA ALA A 38 1.558 -5.994 6.294 1.00 22.01 C ATOM 567 C ALA A 38 1.995 -7.020 7.329 1.00 53.21 C ATOM 568 O ALA A 38 1.971 -8.221 7.067 1.00 43.33 O ATOM 569 CB ALA A 38 2.767 -5.269 5.715 1.00 43.22 C ATOM 0 H ALA A 38 0.971 -4.093 6.952 1.00 53.31 H new ATOM 0 HA ALA A 38 1.054 -6.516 5.481 1.00 22.01 H new ATOM 0 HB1 ALA A 38 3.455 -5.996 5.283 1.00 43.22 H new ATOM 0 HB2 ALA A 38 2.439 -4.575 4.941 1.00 43.22 H new ATOM 0 HB3 ALA A 38 3.273 -4.716 6.506 1.00 43.22 H new ATOM 575 N LYS A 39 2.369 -6.542 8.510 1.00 13.35 N ATOM 576 CA LYS A 39 2.782 -7.421 9.597 1.00 13.43 C ATOM 577 C LYS A 39 1.591 -8.189 10.158 1.00 3.10 C ATOM 578 O LYS A 39 1.743 -9.267 10.738 1.00 53.31 O ATOM 579 CB LYS A 39 3.448 -6.612 10.702 1.00 11.34 C ATOM 580 CG LYS A 39 4.781 -6.015 10.291 1.00 12.30 C ATOM 581 CD LYS A 39 5.350 -5.122 11.377 1.00 75.20 C ATOM 582 CE LYS A 39 6.780 -4.713 11.073 1.00 42.02 C ATOM 583 NZ LYS A 39 7.716 -5.865 11.158 1.00 43.10 N ATOM 0 H LYS A 39 2.395 -5.548 8.739 1.00 13.35 H new ATOM 0 HA LYS A 39 3.498 -8.140 9.200 1.00 13.43 H new ATOM 0 HB2 LYS A 39 2.778 -5.809 11.009 1.00 11.34 H new ATOM 0 HB3 LYS A 39 3.597 -7.252 11.571 1.00 11.34 H new ATOM 0 HG2 LYS A 39 5.487 -6.816 10.070 1.00 12.30 H new ATOM 0 HG3 LYS A 39 4.656 -5.439 9.374 1.00 12.30 H new ATOM 0 HD2 LYS A 39 4.730 -4.231 11.478 1.00 75.20 H new ATOM 0 HD3 LYS A 39 5.316 -5.644 12.333 1.00 75.20 H new ATOM 0 HE2 LYS A 39 6.829 -4.278 10.075 1.00 42.02 H new ATOM 0 HE3 LYS A 39 7.093 -3.939 11.773 1.00 42.02 H new ATOM 0 HZ1 LYS A 39 8.694 -5.515 11.215 1.00 43.10 H new ATOM 0 HZ2 LYS A 39 7.500 -6.426 12.006 1.00 43.10 H new ATOM 0 HZ3 LYS A 39 7.611 -6.461 10.312 1.00 43.10 H new ATOM 597 N SER A 40 0.410 -7.614 9.996 1.00 24.45 N ATOM 598 CA SER A 40 -0.825 -8.266 10.389 1.00 24.44 C ATOM 599 C SER A 40 -1.065 -9.489 9.510 1.00 21.42 C ATOM 600 O SER A 40 -1.464 -10.547 9.996 1.00 32.20 O ATOM 601 CB SER A 40 -1.997 -7.283 10.281 1.00 74.55 C ATOM 602 OG SER A 40 -3.197 -7.830 10.801 1.00 74.52 O ATOM 0 H SER A 40 0.283 -6.687 9.590 1.00 24.45 H new ATOM 0 HA SER A 40 -0.745 -8.592 11.426 1.00 24.44 H new ATOM 0 HB2 SER A 40 -1.753 -6.367 10.819 1.00 74.55 H new ATOM 0 HB3 SER A 40 -2.146 -7.009 9.236 1.00 74.55 H new ATOM 0 HG SER A 40 -3.920 -7.174 10.716 1.00 74.52 H new ATOM 608 N VAL A 41 -0.801 -9.342 8.218 1.00 24.33 N ATOM 609 CA VAL A 41 -0.968 -10.441 7.277 1.00 55.13 C ATOM 610 C VAL A 41 0.215 -11.400 7.353 1.00 1.34 C ATOM 611 O VAL A 41 0.040 -12.604 7.556 1.00 61.12 O ATOM 612 CB VAL A 41 -1.123 -9.936 5.825 1.00 2.52 C ATOM 613 CG1 VAL A 41 -1.288 -11.099 4.862 1.00 1.53 C ATOM 614 CG2 VAL A 41 -2.302 -8.985 5.707 1.00 25.40 C ATOM 0 H VAL A 41 -0.471 -8.473 7.798 1.00 24.33 H new ATOM 0 HA VAL A 41 -1.882 -10.964 7.559 1.00 55.13 H new ATOM 0 HB VAL A 41 -0.214 -9.395 5.561 1.00 2.52 H new ATOM 0 HG11 VAL A 41 -1.395 -10.718 3.846 1.00 1.53 H new ATOM 0 HG12 VAL A 41 -0.411 -11.744 4.917 1.00 1.53 H new ATOM 0 HG13 VAL A 41 -2.176 -11.671 5.131 1.00 1.53 H new ATOM 0 HG21 VAL A 41 -2.391 -8.643 4.676 1.00 25.40 H new ATOM 0 HG22 VAL A 41 -3.217 -9.501 5.998 1.00 25.40 H new ATOM 0 HG23 VAL A 41 -2.145 -8.128 6.362 1.00 25.40 H new ATOM 624 N CYS A 42 1.419 -10.866 7.224 1.00 0.23 N ATOM 625 CA CYS A 42 2.614 -11.690 7.182 1.00 12.12 C ATOM 626 C CYS A 42 3.642 -11.198 8.190 1.00 53.41 C ATOM 627 O CYS A 42 4.114 -10.063 8.117 1.00 71.33 O ATOM 628 CB CYS A 42 3.207 -11.682 5.776 1.00 33.45 C ATOM 629 SG CYS A 42 4.586 -12.826 5.551 1.00 44.13 S ATOM 0 H CYS A 42 1.594 -9.864 7.147 1.00 0.23 H new ATOM 0 HA CYS A 42 2.339 -12.712 7.444 1.00 12.12 H new ATOM 0 HB2 CYS A 42 2.423 -11.930 5.061 1.00 33.45 H new ATOM 0 HB3 CYS A 42 3.544 -10.672 5.541 1.00 33.45 H new ATOM 0 HG CYS A 42 4.155 -13.921 4.999 1.00 44.13 H new ATOM 635 N ALA A 43 3.982 -12.064 9.134 1.00 1.20 N ATOM 636 CA ALA A 43 4.953 -11.729 10.168 1.00 31.04 C ATOM 637 C ALA A 43 6.339 -11.510 9.570 1.00 21.42 C ATOM 638 O ALA A 43 7.096 -10.651 10.026 1.00 42.34 O ATOM 639 CB ALA A 43 4.995 -12.824 11.222 1.00 53.33 C ATOM 0 H ALA A 43 3.599 -13.007 9.206 1.00 1.20 H new ATOM 0 HA ALA A 43 4.641 -10.797 10.640 1.00 31.04 H new ATOM 0 HB1 ALA A 43 5.724 -12.563 11.989 1.00 53.33 H new ATOM 0 HB2 ALA A 43 4.010 -12.929 11.678 1.00 53.33 H new ATOM 0 HB3 ALA A 43 5.281 -13.767 10.756 1.00 53.33 H new ATOM 645 N GLY A 44 6.662 -12.272 8.536 1.00 54.22 N ATOM 646 CA GLY A 44 7.972 -12.171 7.931 1.00 2.10 C ATOM 647 C GLY A 44 7.939 -11.477 6.588 1.00 55.54 C ATOM 648 O GLY A 44 8.728 -11.801 5.699 1.00 65.13 O ATOM 0 H GLY A 44 6.041 -12.957 8.106 1.00 54.22 H new ATOM 0 HA2 GLY A 44 8.637 -11.626 8.601 1.00 2.10 H new ATOM 0 HA3 GLY A 44 8.390 -13.170 7.810 1.00 2.10 H new ATOM 652 N VAL A 45 7.031 -10.520 6.439 1.00 63.24 N ATOM 653 CA VAL A 45 6.892 -9.793 5.184 1.00 64.43 C ATOM 654 C VAL A 45 8.163 -9.008 4.854 1.00 33.11 C ATOM 655 O VAL A 45 8.686 -8.259 5.685 1.00 1.31 O ATOM 656 CB VAL A 45 5.668 -8.839 5.207 1.00 32.24 C ATOM 657 CG1 VAL A 45 5.775 -7.819 6.334 1.00 14.41 C ATOM 658 CG2 VAL A 45 5.498 -8.144 3.860 1.00 0.31 C ATOM 0 H VAL A 45 6.381 -10.230 7.170 1.00 63.24 H new ATOM 0 HA VAL A 45 6.729 -10.536 4.403 1.00 64.43 H new ATOM 0 HB VAL A 45 4.781 -9.444 5.395 1.00 32.24 H new ATOM 0 HG11 VAL A 45 4.901 -7.168 6.320 1.00 14.41 H new ATOM 0 HG12 VAL A 45 5.825 -8.338 7.291 1.00 14.41 H new ATOM 0 HG13 VAL A 45 6.676 -7.220 6.199 1.00 14.41 H new ATOM 0 HG21 VAL A 45 4.634 -7.480 3.899 1.00 0.31 H new ATOM 0 HG22 VAL A 45 6.392 -7.563 3.635 1.00 0.31 H new ATOM 0 HG23 VAL A 45 5.346 -8.892 3.081 1.00 0.31 H new ATOM 668 N GLU A 46 8.664 -9.212 3.646 1.00 32.14 N ATOM 669 CA GLU A 46 9.807 -8.466 3.147 1.00 44.22 C ATOM 670 C GLU A 46 9.317 -7.305 2.309 1.00 4.22 C ATOM 671 O GLU A 46 8.415 -7.467 1.490 1.00 40.10 O ATOM 672 CB GLU A 46 10.716 -9.364 2.309 1.00 62.54 C ATOM 673 CG GLU A 46 11.551 -10.321 3.134 1.00 33.45 C ATOM 674 CD GLU A 46 12.595 -9.604 3.960 1.00 4.42 C ATOM 675 OE1 GLU A 46 12.266 -9.120 5.063 1.00 11.24 O ATOM 676 OE2 GLU A 46 13.753 -9.514 3.506 1.00 54.00 O ATOM 0 H GLU A 46 8.292 -9.896 2.987 1.00 32.14 H new ATOM 0 HA GLU A 46 10.383 -8.093 3.994 1.00 44.22 H new ATOM 0 HB2 GLU A 46 10.104 -9.937 1.612 1.00 62.54 H new ATOM 0 HB3 GLU A 46 11.379 -8.739 1.711 1.00 62.54 H new ATOM 0 HG2 GLU A 46 10.899 -10.893 3.794 1.00 33.45 H new ATOM 0 HG3 GLU A 46 12.041 -11.035 2.473 1.00 33.45 H new ATOM 683 N TYR A 47 9.897 -6.140 2.506 1.00 23.03 N ATOM 684 CA TYR A 47 9.434 -4.961 1.801 1.00 32.43 C ATOM 685 C TYR A 47 10.562 -4.022 1.419 1.00 11.24 C ATOM 686 O TYR A 47 11.507 -3.808 2.178 1.00 24.45 O ATOM 687 CB TYR A 47 8.371 -4.208 2.610 1.00 51.23 C ATOM 688 CG TYR A 47 8.655 -4.105 4.093 1.00 55.15 C ATOM 689 CD1 TYR A 47 9.464 -3.098 4.603 1.00 23.13 C ATOM 690 CD2 TYR A 47 8.103 -5.016 4.981 1.00 63.15 C ATOM 691 CE1 TYR A 47 9.717 -3.008 5.959 1.00 23.42 C ATOM 692 CE2 TYR A 47 8.350 -4.933 6.335 1.00 74.34 C ATOM 693 CZ TYR A 47 9.155 -3.928 6.819 1.00 51.33 C ATOM 694 OH TYR A 47 9.407 -3.850 8.169 1.00 10.40 O ATOM 0 H TYR A 47 10.680 -5.983 3.140 1.00 23.03 H new ATOM 0 HA TYR A 47 8.985 -5.322 0.876 1.00 32.43 H new ATOM 0 HB2 TYR A 47 8.271 -3.202 2.203 1.00 51.23 H new ATOM 0 HB3 TYR A 47 7.411 -4.705 2.472 1.00 51.23 H new ATOM 0 HD1 TYR A 47 9.902 -2.375 3.931 1.00 23.13 H new ATOM 0 HD2 TYR A 47 7.468 -5.805 4.605 1.00 63.15 H new ATOM 0 HE1 TYR A 47 10.351 -2.222 6.343 1.00 23.42 H new ATOM 0 HE2 TYR A 47 7.914 -5.653 7.012 1.00 74.34 H new ATOM 0 HH TYR A 47 8.934 -4.572 8.632 1.00 10.40 H new ATOM 704 N ASN A 48 10.450 -3.485 0.214 1.00 40.45 N ATOM 705 CA ASN A 48 11.311 -2.410 -0.252 1.00 1.44 C ATOM 706 C ASN A 48 10.459 -1.164 -0.404 1.00 70.50 C ATOM 707 O ASN A 48 9.230 -1.251 -0.387 1.00 22.33 O ATOM 708 CB ASN A 48 11.966 -2.732 -1.600 1.00 65.31 C ATOM 709 CG ASN A 48 12.840 -3.975 -1.587 1.00 31.33 C ATOM 710 OD1 ASN A 48 12.929 -4.692 -2.586 1.00 52.44 O ATOM 711 ND2 ASN A 48 13.522 -4.226 -0.479 1.00 44.24 N ATOM 0 H ASN A 48 9.756 -3.784 -0.471 1.00 40.45 H new ATOM 0 HA ASN A 48 12.111 -2.269 0.474 1.00 1.44 H new ATOM 0 HB2 ASN A 48 11.185 -2.859 -2.350 1.00 65.31 H new ATOM 0 HB3 ASN A 48 12.571 -1.880 -1.910 1.00 65.31 H new ATOM 0 HD21 ASN A 48 14.144 -5.033 -0.435 1.00 44.24 H new ATOM 0 HD22 ASN A 48 13.425 -3.612 0.330 1.00 44.24 H new ATOM 718 N VAL A 49 11.092 -0.025 -0.578 1.00 52.13 N ATOM 719 CA VAL A 49 10.367 1.231 -0.674 1.00 72.11 C ATOM 720 C VAL A 49 11.200 2.264 -1.421 1.00 4.24 C ATOM 721 O VAL A 49 12.431 2.181 -1.440 1.00 74.34 O ATOM 722 CB VAL A 49 9.978 1.763 0.729 1.00 51.11 C ATOM 723 CG1 VAL A 49 11.211 2.161 1.529 1.00 34.23 C ATOM 724 CG2 VAL A 49 9.000 2.926 0.628 1.00 62.33 C ATOM 0 H VAL A 49 12.105 0.062 -0.656 1.00 52.13 H new ATOM 0 HA VAL A 49 9.447 1.049 -1.230 1.00 72.11 H new ATOM 0 HB VAL A 49 9.480 0.952 1.260 1.00 51.11 H new ATOM 0 HG11 VAL A 49 10.906 2.530 2.508 1.00 34.23 H new ATOM 0 HG12 VAL A 49 11.859 1.294 1.654 1.00 34.23 H new ATOM 0 HG13 VAL A 49 11.752 2.945 0.998 1.00 34.23 H new ATOM 0 HG21 VAL A 49 8.747 3.276 1.629 1.00 62.33 H new ATOM 0 HG22 VAL A 49 9.458 3.739 0.064 1.00 62.33 H new ATOM 0 HG23 VAL A 49 8.094 2.597 0.119 1.00 62.33 H new ATOM 734 N SER A 50 10.530 3.203 -2.072 1.00 53.54 N ATOM 735 CA SER A 50 11.208 4.286 -2.759 1.00 75.53 C ATOM 736 C SER A 50 11.902 5.200 -1.752 1.00 62.32 C ATOM 737 O SER A 50 11.619 5.153 -0.554 1.00 42.04 O ATOM 738 CB SER A 50 10.206 5.098 -3.576 1.00 62.34 C ATOM 739 OG SER A 50 9.273 4.251 -4.228 1.00 65.02 O ATOM 0 H SER A 50 9.513 3.234 -2.138 1.00 53.54 H new ATOM 0 HA SER A 50 11.955 3.857 -3.427 1.00 75.53 H new ATOM 0 HB2 SER A 50 9.677 5.792 -2.923 1.00 62.34 H new ATOM 0 HB3 SER A 50 10.736 5.698 -4.316 1.00 62.34 H new ATOM 0 HG SER A 50 8.892 4.717 -5.001 1.00 65.02 H new ATOM 745 N GLU A 51 12.792 6.039 -2.246 1.00 72.33 N ATOM 746 CA GLU A 51 13.503 6.972 -1.395 1.00 53.15 C ATOM 747 C GLU A 51 12.682 8.244 -1.223 1.00 44.44 C ATOM 748 O GLU A 51 12.209 8.827 -2.202 1.00 54.43 O ATOM 749 CB GLU A 51 14.883 7.276 -1.986 1.00 61.32 C ATOM 750 CG GLU A 51 14.855 7.676 -3.454 1.00 33.21 C ATOM 751 CD GLU A 51 16.241 7.770 -4.047 1.00 63.44 C ATOM 752 OE1 GLU A 51 16.867 8.844 -3.945 1.00 53.13 O ATOM 753 OE2 GLU A 51 16.714 6.765 -4.615 1.00 62.03 O ATOM 0 H GLU A 51 13.040 6.093 -3.234 1.00 72.33 H new ATOM 0 HA GLU A 51 13.650 6.526 -0.411 1.00 53.15 H new ATOM 0 HB2 GLU A 51 15.344 8.079 -1.410 1.00 61.32 H new ATOM 0 HB3 GLU A 51 15.517 6.397 -1.872 1.00 61.32 H new ATOM 0 HG2 GLU A 51 14.270 6.948 -4.016 1.00 33.21 H new ATOM 0 HG3 GLU A 51 14.352 8.637 -3.557 1.00 33.21 H new ATOM 760 N LEU A 52 12.503 8.653 0.023 1.00 71.44 N ATOM 761 CA LEU A 52 11.679 9.807 0.339 1.00 51.42 C ATOM 762 C LEU A 52 12.411 11.097 0.011 1.00 41.44 C ATOM 763 O LEU A 52 13.535 11.322 0.470 1.00 12.32 O ATOM 764 CB LEU A 52 11.288 9.793 1.819 1.00 71.00 C ATOM 765 CG LEU A 52 10.433 8.604 2.256 1.00 34.22 C ATOM 766 CD1 LEU A 52 10.175 8.658 3.752 1.00 31.34 C ATOM 767 CD2 LEU A 52 9.118 8.580 1.489 1.00 44.45 C ATOM 0 H LEU A 52 12.920 8.199 0.836 1.00 71.44 H new ATOM 0 HA LEU A 52 10.775 9.755 -0.268 1.00 51.42 H new ATOM 0 HB2 LEU A 52 12.198 9.805 2.419 1.00 71.00 H new ATOM 0 HB3 LEU A 52 10.746 10.712 2.044 1.00 71.00 H new ATOM 0 HG LEU A 52 10.978 7.687 2.032 1.00 34.22 H new ATOM 0 HD11 LEU A 52 9.565 7.804 4.047 1.00 31.34 H new ATOM 0 HD12 LEU A 52 11.125 8.627 4.286 1.00 31.34 H new ATOM 0 HD13 LEU A 52 9.650 9.581 3.998 1.00 31.34 H new ATOM 0 HD21 LEU A 52 8.523 7.727 1.814 1.00 44.45 H new ATOM 0 HD22 LEU A 52 8.567 9.501 1.682 1.00 44.45 H new ATOM 0 HD23 LEU A 52 9.321 8.496 0.421 1.00 44.45 H new ATOM 779 N THR A 53 11.776 11.934 -0.789 1.00 5.23 N ATOM 780 CA THR A 53 12.323 13.226 -1.134 1.00 43.45 C ATOM 781 C THR A 53 11.404 14.320 -0.608 1.00 23.35 C ATOM 782 O THR A 53 10.384 14.030 0.016 1.00 14.01 O ATOM 783 CB THR A 53 12.509 13.360 -2.658 1.00 74.24 C ATOM 784 OG1 THR A 53 11.302 12.988 -3.335 1.00 0.45 O ATOM 785 CG2 THR A 53 13.658 12.486 -3.146 1.00 3.14 C ATOM 0 H THR A 53 10.871 11.735 -1.214 1.00 5.23 H new ATOM 0 HA THR A 53 13.305 13.327 -0.673 1.00 43.45 H new ATOM 0 HB THR A 53 12.745 14.401 -2.880 1.00 74.24 H new ATOM 0 HG1 THR A 53 10.858 13.792 -3.677 1.00 0.45 H new ATOM 0 HG21 THR A 53 13.768 12.599 -4.225 1.00 3.14 H new ATOM 0 HG22 THR A 53 14.581 12.790 -2.653 1.00 3.14 H new ATOM 0 HG23 THR A 53 13.447 11.443 -2.910 1.00 3.14 H new ATOM 793 N GLU A 54 11.746 15.568 -0.852 1.00 61.43 N ATOM 794 CA GLU A 54 10.982 16.667 -0.306 1.00 33.12 C ATOM 795 C GLU A 54 9.671 16.877 -1.062 1.00 31.50 C ATOM 796 O GLU A 54 8.675 17.302 -0.476 1.00 14.01 O ATOM 797 CB GLU A 54 11.824 17.936 -0.324 1.00 60.43 C ATOM 798 CG GLU A 54 13.031 17.870 0.600 1.00 65.52 C ATOM 799 CD GLU A 54 12.645 17.634 2.048 1.00 3.00 C ATOM 800 OE1 GLU A 54 12.065 18.549 2.666 1.00 32.40 O ATOM 801 OE2 GLU A 54 12.915 16.534 2.578 1.00 44.45 O ATOM 0 H GLU A 54 12.545 15.845 -1.423 1.00 61.43 H new ATOM 0 HA GLU A 54 10.722 16.422 0.724 1.00 33.12 H new ATOM 0 HB2 GLU A 54 12.164 18.124 -1.342 1.00 60.43 H new ATOM 0 HB3 GLU A 54 11.200 18.782 -0.036 1.00 60.43 H new ATOM 0 HG2 GLU A 54 13.694 17.070 0.269 1.00 65.52 H new ATOM 0 HG3 GLU A 54 13.593 18.801 0.525 1.00 65.52 H new ATOM 808 N GLU A 55 9.656 16.557 -2.351 1.00 50.34 N ATOM 809 CA GLU A 55 8.483 16.813 -3.175 1.00 25.12 C ATOM 810 C GLU A 55 7.767 15.514 -3.570 1.00 63.01 C ATOM 811 O GLU A 55 7.062 15.464 -4.583 1.00 14.51 O ATOM 812 CB GLU A 55 8.878 17.624 -4.421 1.00 73.03 C ATOM 813 CG GLU A 55 9.608 16.842 -5.509 1.00 71.41 C ATOM 814 CD GLU A 55 10.882 16.181 -5.028 1.00 25.41 C ATOM 815 OE1 GLU A 55 11.871 16.895 -4.767 1.00 11.51 O ATOM 816 OE2 GLU A 55 10.893 14.945 -4.901 1.00 3.22 O ATOM 0 H GLU A 55 10.437 16.123 -2.844 1.00 50.34 H new ATOM 0 HA GLU A 55 7.779 17.398 -2.583 1.00 25.12 H new ATOM 0 HB2 GLU A 55 7.976 18.057 -4.852 1.00 73.03 H new ATOM 0 HB3 GLU A 55 9.511 18.454 -4.107 1.00 73.03 H new ATOM 0 HG2 GLU A 55 8.940 16.078 -5.906 1.00 71.41 H new ATOM 0 HG3 GLU A 55 9.846 17.516 -6.332 1.00 71.41 H new ATOM 823 N SER A 56 7.929 14.473 -2.761 1.00 45.10 N ATOM 824 CA SER A 56 7.283 13.195 -3.015 1.00 24.33 C ATOM 825 C SER A 56 5.762 13.298 -2.903 1.00 70.33 C ATOM 826 O SER A 56 5.230 13.681 -1.860 1.00 72.23 O ATOM 827 CB SER A 56 7.775 12.150 -2.017 1.00 3.23 C ATOM 828 OG SER A 56 9.189 12.126 -1.940 1.00 43.52 O ATOM 0 H SER A 56 8.506 14.492 -1.920 1.00 45.10 H new ATOM 0 HA SER A 56 7.541 12.900 -4.032 1.00 24.33 H new ATOM 0 HB2 SER A 56 7.360 12.364 -1.032 1.00 3.23 H new ATOM 0 HB3 SER A 56 7.409 11.166 -2.310 1.00 3.23 H new ATOM 0 HG SER A 56 9.567 12.591 -2.715 1.00 43.52 H new ATOM 834 N LYS A 57 5.073 12.976 -3.989 1.00 35.43 N ATOM 835 CA LYS A 57 3.623 12.809 -3.958 1.00 1.22 C ATOM 836 C LYS A 57 3.267 11.334 -4.063 1.00 73.25 C ATOM 837 O LYS A 57 2.094 10.956 -4.018 1.00 44.41 O ATOM 838 CB LYS A 57 2.938 13.571 -5.094 1.00 62.32 C ATOM 839 CG LYS A 57 2.479 14.970 -4.723 1.00 42.33 C ATOM 840 CD LYS A 57 3.640 15.932 -4.577 1.00 71.45 C ATOM 841 CE LYS A 57 3.153 17.342 -4.291 1.00 64.32 C ATOM 842 NZ LYS A 57 2.132 17.792 -5.279 1.00 25.25 N ATOM 0 H LYS A 57 5.494 12.824 -4.906 1.00 35.43 H new ATOM 0 HA LYS A 57 3.269 13.215 -3.011 1.00 1.22 H new ATOM 0 HB2 LYS A 57 3.626 13.639 -5.936 1.00 62.32 H new ATOM 0 HB3 LYS A 57 2.076 12.997 -5.432 1.00 62.32 H new ATOM 0 HG2 LYS A 57 1.796 15.341 -5.487 1.00 42.33 H new ATOM 0 HG3 LYS A 57 1.921 14.932 -3.787 1.00 42.33 H new ATOM 0 HD2 LYS A 57 4.292 15.599 -3.770 1.00 71.45 H new ATOM 0 HD3 LYS A 57 4.236 15.928 -5.490 1.00 71.45 H new ATOM 0 HE2 LYS A 57 2.729 17.382 -3.288 1.00 64.32 H new ATOM 0 HE3 LYS A 57 4.000 18.028 -4.307 1.00 64.32 H new ATOM 0 HZ1 LYS A 57 2.134 18.831 -5.331 1.00 25.25 H new ATOM 0 HZ2 LYS A 57 2.357 17.398 -6.215 1.00 25.25 H new ATOM 0 HZ3 LYS A 57 1.192 17.462 -4.981 1.00 25.25 H new ATOM 856 N GLU A 58 4.290 10.504 -4.200 1.00 13.32 N ATOM 857 CA GLU A 58 4.097 9.075 -4.369 1.00 13.10 C ATOM 858 C GLU A 58 5.262 8.303 -3.770 1.00 35.00 C ATOM 859 O GLU A 58 6.366 8.831 -3.636 1.00 73.04 O ATOM 860 CB GLU A 58 3.968 8.716 -5.853 1.00 31.03 C ATOM 861 CG GLU A 58 5.208 9.042 -6.672 1.00 25.04 C ATOM 862 CD GLU A 58 5.149 8.478 -8.077 1.00 73.22 C ATOM 863 OE1 GLU A 58 4.619 9.161 -8.977 1.00 53.54 O ATOM 864 OE2 GLU A 58 5.636 7.348 -8.294 1.00 72.02 O ATOM 0 H GLU A 58 5.266 10.799 -4.197 1.00 13.32 H new ATOM 0 HA GLU A 58 3.177 8.802 -3.852 1.00 13.10 H new ATOM 0 HB2 GLU A 58 3.754 7.651 -5.943 1.00 31.03 H new ATOM 0 HB3 GLU A 58 3.115 9.249 -6.274 1.00 31.03 H new ATOM 0 HG2 GLU A 58 5.329 10.124 -6.725 1.00 25.04 H new ATOM 0 HG3 GLU A 58 6.088 8.647 -6.164 1.00 25.04 H new ATOM 871 N LEU A 59 4.999 7.066 -3.392 1.00 73.21 N ATOM 872 CA LEU A 59 6.050 6.148 -2.988 1.00 51.10 C ATOM 873 C LEU A 59 5.612 4.726 -3.273 1.00 3.43 C ATOM 874 O LEU A 59 4.444 4.373 -3.088 1.00 33.25 O ATOM 875 CB LEU A 59 6.430 6.312 -1.507 1.00 42.12 C ATOM 876 CG LEU A 59 5.438 5.766 -0.468 1.00 61.31 C ATOM 877 CD1 LEU A 59 6.037 5.866 0.925 1.00 72.24 C ATOM 878 CD2 LEU A 59 4.112 6.505 -0.515 1.00 0.11 C ATOM 0 H LEU A 59 4.059 6.671 -3.356 1.00 73.21 H new ATOM 0 HA LEU A 59 6.943 6.381 -3.568 1.00 51.10 H new ATOM 0 HB2 LEU A 59 7.391 5.823 -1.348 1.00 42.12 H new ATOM 0 HB3 LEU A 59 6.576 7.374 -1.310 1.00 42.12 H new ATOM 0 HG LEU A 59 5.246 4.721 -0.709 1.00 61.31 H new ATOM 0 HD11 LEU A 59 5.327 5.477 1.655 1.00 72.24 H new ATOM 0 HD12 LEU A 59 6.958 5.284 0.968 1.00 72.24 H new ATOM 0 HD13 LEU A 59 6.256 6.909 1.153 1.00 72.24 H new ATOM 0 HD21 LEU A 59 3.438 6.090 0.234 1.00 0.11 H new ATOM 0 HD22 LEU A 59 4.277 7.562 -0.309 1.00 0.11 H new ATOM 0 HD23 LEU A 59 3.668 6.394 -1.504 1.00 0.11 H new ATOM 890 N THR A 60 6.539 3.924 -3.740 1.00 53.41 N ATOM 891 CA THR A 60 6.232 2.564 -4.116 1.00 43.50 C ATOM 892 C THR A 60 6.771 1.597 -3.070 1.00 14.41 C ATOM 893 O THR A 60 7.938 1.672 -2.682 1.00 21.51 O ATOM 894 CB THR A 60 6.817 2.235 -5.505 1.00 11.01 C ATOM 895 OG1 THR A 60 6.503 3.293 -6.428 1.00 31.10 O ATOM 896 CG2 THR A 60 6.259 0.924 -6.036 1.00 43.02 C ATOM 0 H THR A 60 7.515 4.190 -3.869 1.00 53.41 H new ATOM 0 HA THR A 60 5.149 2.457 -4.170 1.00 43.50 H new ATOM 0 HB THR A 60 7.898 2.138 -5.404 1.00 11.01 H new ATOM 0 HG1 THR A 60 6.878 3.081 -7.308 1.00 31.10 H new ATOM 0 HG21 THR A 60 6.688 0.716 -7.016 1.00 43.02 H new ATOM 0 HG22 THR A 60 6.513 0.116 -5.350 1.00 43.02 H new ATOM 0 HG23 THR A 60 5.175 0.999 -6.123 1.00 43.02 H new ATOM 904 N ALA A 61 5.909 0.715 -2.601 1.00 1.15 N ATOM 905 CA ALA A 61 6.271 -0.241 -1.578 1.00 41.32 C ATOM 906 C ALA A 61 6.170 -1.657 -2.125 1.00 44.00 C ATOM 907 O ALA A 61 5.097 -2.109 -2.528 1.00 11.05 O ATOM 908 CB ALA A 61 5.385 -0.068 -0.356 1.00 50.53 C ATOM 0 H ALA A 61 4.942 0.643 -2.918 1.00 1.15 H new ATOM 0 HA ALA A 61 7.303 -0.062 -1.277 1.00 41.32 H new ATOM 0 HB1 ALA A 61 5.669 -0.794 0.405 1.00 50.53 H new ATOM 0 HB2 ALA A 61 5.506 0.940 0.041 1.00 50.53 H new ATOM 0 HB3 ALA A 61 4.344 -0.225 -0.637 1.00 50.53 H new ATOM 914 N ARG A 62 7.298 -2.338 -2.147 1.00 11.03 N ATOM 915 CA ARG A 62 7.369 -3.689 -2.674 1.00 53.43 C ATOM 916 C ARG A 62 7.249 -4.689 -1.534 1.00 61.14 C ATOM 917 O ARG A 62 8.130 -4.762 -0.688 1.00 62.24 O ATOM 918 CB ARG A 62 8.711 -3.864 -3.396 1.00 23.42 C ATOM 919 CG ARG A 62 8.937 -5.238 -4.003 1.00 2.22 C ATOM 920 CD ARG A 62 7.928 -5.547 -5.094 1.00 50.42 C ATOM 921 NE ARG A 62 7.756 -4.432 -6.025 1.00 15.33 N ATOM 922 CZ ARG A 62 8.318 -4.356 -7.228 1.00 73.33 C ATOM 923 NH1 ARG A 62 9.217 -5.252 -7.612 1.00 2.35 N ATOM 924 NH2 ARG A 62 7.999 -3.352 -8.033 1.00 11.32 N ATOM 0 H ARG A 62 8.187 -1.975 -1.803 1.00 11.03 H new ATOM 0 HA ARG A 62 6.553 -3.863 -3.375 1.00 53.43 H new ATOM 0 HB2 ARG A 62 8.781 -3.117 -4.187 1.00 23.42 H new ATOM 0 HB3 ARG A 62 9.516 -3.658 -2.691 1.00 23.42 H new ATOM 0 HG2 ARG A 62 9.945 -5.292 -4.415 1.00 2.22 H new ATOM 0 HG3 ARG A 62 8.871 -5.995 -3.222 1.00 2.22 H new ATOM 0 HD2 ARG A 62 8.251 -6.430 -5.645 1.00 50.42 H new ATOM 0 HD3 ARG A 62 6.967 -5.789 -4.639 1.00 50.42 H new ATOM 0 HE ARG A 62 7.162 -3.657 -5.730 1.00 15.33 H new ATOM 0 HH11 ARG A 62 9.484 -6.009 -6.983 1.00 2.35 H new ATOM 0 HH12 ARG A 62 9.642 -5.184 -8.537 1.00 2.35 H new ATOM 0 HH21 ARG A 62 7.328 -2.647 -7.728 1.00 11.32 H new ATOM 0 HH22 ARG A 62 8.424 -3.285 -8.958 1.00 11.32 H new ATOM 938 N PHE A 63 6.171 -5.461 -1.514 1.00 21.55 N ATOM 939 CA PHE A 63 5.952 -6.428 -0.443 1.00 21.54 C ATOM 940 C PHE A 63 6.038 -7.855 -0.961 1.00 14.11 C ATOM 941 O PHE A 63 5.338 -8.225 -1.900 1.00 42.21 O ATOM 942 CB PHE A 63 4.579 -6.223 0.208 1.00 62.53 C ATOM 943 CG PHE A 63 4.430 -4.935 0.966 1.00 4.14 C ATOM 944 CD1 PHE A 63 4.909 -4.820 2.260 1.00 11.11 C ATOM 945 CD2 PHE A 63 3.795 -3.845 0.393 1.00 10.22 C ATOM 946 CE1 PHE A 63 4.763 -3.641 2.967 1.00 51.44 C ATOM 947 CE2 PHE A 63 3.645 -2.664 1.096 1.00 12.03 C ATOM 948 CZ PHE A 63 4.129 -2.563 2.385 1.00 15.40 C ATOM 0 H PHE A 63 5.437 -5.438 -2.222 1.00 21.55 H new ATOM 0 HA PHE A 63 6.736 -6.266 0.297 1.00 21.54 H new ATOM 0 HB2 PHE A 63 3.815 -6.263 -0.568 1.00 62.53 H new ATOM 0 HB3 PHE A 63 4.387 -7.053 0.888 1.00 62.53 H new ATOM 0 HD1 PHE A 63 5.403 -5.662 2.723 1.00 11.11 H new ATOM 0 HD2 PHE A 63 3.413 -3.919 -0.614 1.00 10.22 H new ATOM 0 HE1 PHE A 63 5.145 -3.564 3.974 1.00 51.44 H new ATOM 0 HE2 PHE A 63 3.150 -1.821 0.637 1.00 12.03 H new ATOM 0 HZ PHE A 63 4.011 -1.642 2.937 1.00 15.40 H new ATOM 958 N LYS A 64 6.900 -8.650 -0.356 1.00 34.14 N ATOM 959 CA LYS A 64 6.923 -10.076 -0.623 1.00 1.10 C ATOM 960 C LYS A 64 6.554 -10.828 0.643 1.00 4.22 C ATOM 961 O LYS A 64 7.181 -10.654 1.690 1.00 62.22 O ATOM 962 CB LYS A 64 8.286 -10.550 -1.128 1.00 24.33 C ATOM 963 CG LYS A 64 8.264 -12.009 -1.567 1.00 73.54 C ATOM 964 CD LYS A 64 9.618 -12.490 -2.063 1.00 35.42 C ATOM 965 CE LYS A 64 9.525 -13.905 -2.625 1.00 21.34 C ATOM 966 NZ LYS A 64 9.068 -14.884 -1.600 1.00 55.11 N ATOM 0 H LYS A 64 7.593 -8.334 0.323 1.00 34.14 H new ATOM 0 HA LYS A 64 6.198 -10.279 -1.411 1.00 1.10 H new ATOM 0 HB2 LYS A 64 8.598 -9.926 -1.965 1.00 24.33 H new ATOM 0 HB3 LYS A 64 9.028 -10.421 -0.340 1.00 24.33 H new ATOM 0 HG2 LYS A 64 7.945 -12.631 -0.731 1.00 73.54 H new ATOM 0 HG3 LYS A 64 7.525 -12.135 -2.358 1.00 73.54 H new ATOM 0 HD2 LYS A 64 9.988 -11.813 -2.833 1.00 35.42 H new ATOM 0 HD3 LYS A 64 10.338 -12.467 -1.245 1.00 35.42 H new ATOM 0 HE2 LYS A 64 8.835 -13.915 -3.469 1.00 21.34 H new ATOM 0 HE3 LYS A 64 10.500 -14.208 -3.007 1.00 21.34 H new ATOM 0 HZ1 LYS A 64 9.811 -15.595 -1.444 1.00 55.11 H new ATOM 0 HZ2 LYS A 64 8.872 -14.387 -0.708 1.00 55.11 H new ATOM 0 HZ3 LYS A 64 8.202 -15.355 -1.932 1.00 55.11 H new ATOM 980 N PHE A 65 5.534 -11.651 0.542 1.00 62.13 N ATOM 981 CA PHE A 65 5.031 -12.388 1.680 1.00 74.42 C ATOM 982 C PHE A 65 5.726 -13.739 1.783 1.00 61.41 C ATOM 983 O PHE A 65 6.639 -14.034 1.006 1.00 73.15 O ATOM 984 CB PHE A 65 3.517 -12.555 1.556 1.00 52.55 C ATOM 985 CG PHE A 65 2.789 -11.244 1.456 1.00 63.12 C ATOM 986 CD1 PHE A 65 2.401 -10.567 2.600 1.00 24.41 C ATOM 987 CD2 PHE A 65 2.502 -10.685 0.220 1.00 24.44 C ATOM 988 CE1 PHE A 65 1.741 -9.357 2.515 1.00 43.21 C ATOM 989 CE2 PHE A 65 1.841 -9.477 0.130 1.00 13.35 C ATOM 990 CZ PHE A 65 1.461 -8.812 1.278 1.00 41.32 C ATOM 0 H PHE A 65 5.031 -11.828 -0.328 1.00 62.13 H new ATOM 0 HA PHE A 65 5.244 -11.832 2.593 1.00 74.42 H new ATOM 0 HB2 PHE A 65 3.294 -13.156 0.675 1.00 52.55 H new ATOM 0 HB3 PHE A 65 3.146 -13.106 2.420 1.00 52.55 H new ATOM 0 HD1 PHE A 65 2.617 -10.990 3.570 1.00 24.41 H new ATOM 0 HD2 PHE A 65 2.799 -11.200 -0.682 1.00 24.44 H new ATOM 0 HE1 PHE A 65 1.444 -8.838 3.415 1.00 43.21 H new ATOM 0 HE2 PHE A 65 1.621 -9.052 -0.838 1.00 13.35 H new ATOM 0 HZ PHE A 65 0.945 -7.866 1.209 1.00 41.32 H new ATOM 1000 N GLU A 66 5.302 -14.552 2.736 1.00 75.23 N ATOM 1001 CA GLU A 66 5.940 -15.819 2.992 1.00 63.12 C ATOM 1002 C GLU A 66 5.238 -16.926 2.212 1.00 62.31 C ATOM 1003 O GLU A 66 5.841 -17.946 1.869 1.00 22.43 O ATOM 1004 CB GLU A 66 5.908 -16.094 4.490 1.00 72.34 C ATOM 1005 CG GLU A 66 6.952 -17.088 4.922 1.00 12.24 C ATOM 1006 CD GLU A 66 7.023 -17.253 6.423 1.00 43.10 C ATOM 1007 OE1 GLU A 66 7.754 -16.483 7.076 1.00 10.02 O ATOM 1008 OE2 GLU A 66 6.355 -18.162 6.959 1.00 62.04 O ATOM 0 H GLU A 66 4.511 -14.349 3.347 1.00 75.23 H new ATOM 0 HA GLU A 66 6.978 -15.788 2.661 1.00 63.12 H new ATOM 0 HB2 GLU A 66 6.058 -15.159 5.030 1.00 72.34 H new ATOM 0 HB3 GLU A 66 4.922 -16.467 4.765 1.00 72.34 H new ATOM 0 HG2 GLU A 66 6.737 -18.054 4.465 1.00 12.24 H new ATOM 0 HG3 GLU A 66 7.926 -16.769 4.550 1.00 12.24 H new ATOM 1015 N VAL A 67 3.950 -16.723 1.956 1.00 11.31 N ATOM 1016 CA VAL A 67 3.194 -17.597 1.066 1.00 33.40 C ATOM 1017 C VAL A 67 2.352 -16.762 0.106 1.00 3.33 C ATOM 1018 O VAL A 67 2.071 -15.590 0.369 1.00 54.35 O ATOM 1019 CB VAL A 67 2.281 -18.594 1.824 1.00 10.32 C ATOM 1020 CG1 VAL A 67 3.100 -19.572 2.650 1.00 50.33 C ATOM 1021 CG2 VAL A 67 1.282 -17.862 2.704 1.00 52.40 C ATOM 0 H VAL A 67 3.406 -15.958 2.354 1.00 11.31 H new ATOM 0 HA VAL A 67 3.925 -18.188 0.514 1.00 33.40 H new ATOM 0 HB VAL A 67 1.726 -19.162 1.077 1.00 10.32 H new ATOM 0 HG11 VAL A 67 2.431 -20.258 3.170 1.00 50.33 H new ATOM 0 HG12 VAL A 67 3.762 -20.137 1.994 1.00 50.33 H new ATOM 0 HG13 VAL A 67 3.695 -19.023 3.380 1.00 50.33 H new ATOM 0 HG21 VAL A 67 0.655 -18.587 3.223 1.00 52.40 H new ATOM 0 HG22 VAL A 67 1.817 -17.255 3.435 1.00 52.40 H new ATOM 0 HG23 VAL A 67 0.656 -17.218 2.086 1.00 52.40 H new ATOM 1031 N SER A 68 1.943 -17.370 -0.994 1.00 11.22 N ATOM 1032 CA SER A 68 1.235 -16.660 -2.049 1.00 40.33 C ATOM 1033 C SER A 68 -0.161 -16.233 -1.604 1.00 73.05 C ATOM 1034 O SER A 68 -0.731 -15.279 -2.133 1.00 25.35 O ATOM 1035 CB SER A 68 1.151 -17.551 -3.287 1.00 3.23 C ATOM 1036 OG SER A 68 2.391 -18.203 -3.526 1.00 21.15 O ATOM 0 H SER A 68 2.090 -18.362 -1.182 1.00 11.22 H new ATOM 0 HA SER A 68 1.790 -15.752 -2.285 1.00 40.33 H new ATOM 0 HB2 SER A 68 0.365 -18.294 -3.153 1.00 3.23 H new ATOM 0 HB3 SER A 68 0.878 -16.950 -4.155 1.00 3.23 H new ATOM 0 HG SER A 68 2.846 -17.774 -4.281 1.00 21.15 H new ATOM 1042 N ALA A 69 -0.699 -16.936 -0.618 1.00 71.12 N ATOM 1043 CA ALA A 69 -2.036 -16.645 -0.105 1.00 70.22 C ATOM 1044 C ALA A 69 -2.069 -15.318 0.641 1.00 50.34 C ATOM 1045 O ALA A 69 -3.094 -14.635 0.658 1.00 20.22 O ATOM 1046 CB ALA A 69 -2.520 -17.769 0.799 1.00 2.34 C ATOM 0 H ALA A 69 -0.231 -17.715 -0.154 1.00 71.12 H new ATOM 0 HA ALA A 69 -2.707 -16.568 -0.960 1.00 70.22 H new ATOM 0 HB1 ALA A 69 -3.517 -17.533 1.171 1.00 2.34 H new ATOM 0 HB2 ALA A 69 -2.554 -18.701 0.235 1.00 2.34 H new ATOM 0 HB3 ALA A 69 -1.836 -17.879 1.640 1.00 2.34 H new ATOM 1052 N GLU A 70 -0.942 -14.949 1.241 1.00 52.35 N ATOM 1053 CA GLU A 70 -0.852 -13.719 2.018 1.00 63.33 C ATOM 1054 C GLU A 70 -0.958 -12.497 1.111 1.00 45.33 C ATOM 1055 O GLU A 70 -1.441 -11.444 1.528 1.00 30.10 O ATOM 1056 CB GLU A 70 0.455 -13.702 2.806 1.00 21.33 C ATOM 1057 CG GLU A 70 0.532 -14.796 3.854 1.00 62.24 C ATOM 1058 CD GLU A 70 1.868 -14.838 4.564 1.00 1.12 C ATOM 1059 OE1 GLU A 70 2.909 -14.714 3.891 1.00 23.35 O ATOM 1060 OE2 GLU A 70 1.878 -14.995 5.801 1.00 43.24 O ATOM 0 H GLU A 70 -0.076 -15.487 1.203 1.00 52.35 H new ATOM 0 HA GLU A 70 -1.685 -13.683 2.720 1.00 63.33 H new ATOM 0 HB2 GLU A 70 1.291 -13.810 2.115 1.00 21.33 H new ATOM 0 HB3 GLU A 70 0.567 -12.733 3.292 1.00 21.33 H new ATOM 0 HG2 GLU A 70 -0.259 -14.645 4.588 1.00 62.24 H new ATOM 0 HG3 GLU A 70 0.348 -15.760 3.380 1.00 62.24 H new ATOM 1067 N LYS A 71 -0.514 -12.655 -0.135 1.00 22.35 N ATOM 1068 CA LYS A 71 -0.672 -11.617 -1.149 1.00 15.42 C ATOM 1069 C LYS A 71 -2.135 -11.257 -1.287 1.00 42.11 C ATOM 1070 O LYS A 71 -2.547 -10.124 -1.044 1.00 74.25 O ATOM 1071 CB LYS A 71 -0.165 -12.128 -2.499 1.00 1.24 C ATOM 1072 CG LYS A 71 -0.323 -11.133 -3.639 1.00 15.15 C ATOM 1073 CD LYS A 71 0.127 -11.731 -4.962 1.00 1.32 C ATOM 1074 CE LYS A 71 -0.320 -10.885 -6.152 1.00 1.31 C ATOM 1075 NZ LYS A 71 0.195 -9.490 -6.085 1.00 31.22 N ATOM 0 H LYS A 71 -0.041 -13.496 -0.466 1.00 22.35 H new ATOM 0 HA LYS A 71 -0.099 -10.740 -0.846 1.00 15.42 H new ATOM 0 HB2 LYS A 71 0.889 -12.390 -2.404 1.00 1.24 H new ATOM 0 HB3 LYS A 71 -0.700 -13.043 -2.753 1.00 1.24 H new ATOM 0 HG2 LYS A 71 -1.366 -10.825 -3.713 1.00 15.15 H new ATOM 0 HG3 LYS A 71 0.260 -10.237 -3.426 1.00 15.15 H new ATOM 0 HD2 LYS A 71 1.213 -11.821 -4.969 1.00 1.32 H new ATOM 0 HD3 LYS A 71 -0.277 -12.738 -5.061 1.00 1.32 H new ATOM 0 HE2 LYS A 71 0.024 -11.352 -7.075 1.00 1.31 H new ATOM 0 HE3 LYS A 71 -1.409 -10.865 -6.191 1.00 1.31 H new ATOM 0 HZ1 LYS A 71 0.293 -9.109 -7.048 1.00 31.22 H new ATOM 0 HZ2 LYS A 71 -0.470 -8.900 -5.546 1.00 31.22 H new ATOM 0 HZ3 LYS A 71 1.123 -9.485 -5.615 1.00 31.22 H new ATOM 1089 N LEU A 72 -2.901 -12.269 -1.652 1.00 31.41 N ATOM 1090 CA LEU A 72 -4.341 -12.145 -1.863 1.00 33.13 C ATOM 1091 C LEU A 72 -5.033 -11.500 -0.665 1.00 12.21 C ATOM 1092 O LEU A 72 -5.828 -10.578 -0.828 1.00 50.03 O ATOM 1093 CB LEU A 72 -4.947 -13.528 -2.127 1.00 61.25 C ATOM 1094 CG LEU A 72 -4.352 -14.288 -3.315 1.00 11.41 C ATOM 1095 CD1 LEU A 72 -4.986 -15.669 -3.432 1.00 73.12 C ATOM 1096 CD2 LEU A 72 -4.547 -13.501 -4.603 1.00 15.21 C ATOM 0 H LEU A 72 -2.543 -13.210 -1.813 1.00 31.41 H new ATOM 0 HA LEU A 72 -4.498 -11.500 -2.728 1.00 33.13 H new ATOM 0 HB2 LEU A 72 -4.826 -14.136 -1.231 1.00 61.25 H new ATOM 0 HB3 LEU A 72 -6.018 -13.412 -2.291 1.00 61.25 H new ATOM 0 HG LEU A 72 -3.282 -14.411 -3.147 1.00 11.41 H new ATOM 0 HD11 LEU A 72 -4.553 -16.197 -4.281 1.00 73.12 H new ATOM 0 HD12 LEU A 72 -4.798 -16.234 -2.519 1.00 73.12 H new ATOM 0 HD13 LEU A 72 -6.061 -15.565 -3.580 1.00 73.12 H new ATOM 0 HD21 LEU A 72 -4.118 -14.056 -5.437 1.00 15.21 H new ATOM 0 HD22 LEU A 72 -5.612 -13.348 -4.778 1.00 15.21 H new ATOM 0 HD23 LEU A 72 -4.051 -12.534 -4.517 1.00 15.21 H new ATOM 1108 N ILE A 73 -4.724 -11.985 0.534 1.00 64.14 N ATOM 1109 CA ILE A 73 -5.338 -11.466 1.758 1.00 72.34 C ATOM 1110 C ILE A 73 -5.045 -9.977 1.933 1.00 62.44 C ATOM 1111 O ILE A 73 -5.943 -9.188 2.242 1.00 41.21 O ATOM 1112 CB ILE A 73 -4.835 -12.233 3.003 1.00 42.32 C ATOM 1113 CG1 ILE A 73 -5.183 -13.719 2.889 1.00 13.33 C ATOM 1114 CG2 ILE A 73 -5.426 -11.644 4.279 1.00 15.44 C ATOM 1115 CD1 ILE A 73 -4.636 -14.560 4.023 1.00 33.34 C ATOM 0 H ILE A 73 -4.052 -12.737 0.687 1.00 64.14 H new ATOM 0 HA ILE A 73 -6.414 -11.609 1.662 1.00 72.34 H new ATOM 0 HB ILE A 73 -3.751 -12.131 3.052 1.00 42.32 H new ATOM 0 HG12 ILE A 73 -6.267 -13.828 2.858 1.00 13.33 H new ATOM 0 HG13 ILE A 73 -4.797 -14.102 1.945 1.00 13.33 H new ATOM 0 HG21 ILE A 73 -5.058 -12.200 5.141 1.00 15.44 H new ATOM 0 HG22 ILE A 73 -5.130 -10.599 4.368 1.00 15.44 H new ATOM 0 HG23 ILE A 73 -6.513 -11.712 4.241 1.00 15.44 H new ATOM 0 HD11 ILE A 73 -4.922 -15.601 3.875 1.00 33.34 H new ATOM 0 HD12 ILE A 73 -3.549 -14.482 4.042 1.00 33.34 H new ATOM 0 HD13 ILE A 73 -5.042 -14.203 4.969 1.00 33.34 H new ATOM 1127 N PHE A 74 -3.793 -9.596 1.727 1.00 2.14 N ATOM 1128 CA PHE A 74 -3.384 -8.206 1.870 1.00 44.04 C ATOM 1129 C PHE A 74 -4.038 -7.344 0.794 1.00 31.10 C ATOM 1130 O PHE A 74 -4.524 -6.246 1.077 1.00 65.42 O ATOM 1131 CB PHE A 74 -1.858 -8.097 1.795 1.00 55.00 C ATOM 1132 CG PHE A 74 -1.322 -6.711 2.028 1.00 30.23 C ATOM 1133 CD1 PHE A 74 -1.317 -6.160 3.299 1.00 14.43 C ATOM 1134 CD2 PHE A 74 -0.814 -5.964 0.976 1.00 43.51 C ATOM 1135 CE1 PHE A 74 -0.819 -4.889 3.517 1.00 12.53 C ATOM 1136 CE2 PHE A 74 -0.314 -4.693 1.188 1.00 33.11 C ATOM 1137 CZ PHE A 74 -0.316 -4.155 2.460 1.00 12.44 C ATOM 0 H PHE A 74 -3.041 -10.231 1.460 1.00 2.14 H new ATOM 0 HA PHE A 74 -3.712 -7.842 2.844 1.00 44.04 H new ATOM 0 HB2 PHE A 74 -1.421 -8.771 2.532 1.00 55.00 H new ATOM 0 HB3 PHE A 74 -1.529 -8.441 0.814 1.00 55.00 H new ATOM 0 HD1 PHE A 74 -1.707 -6.730 4.129 1.00 14.43 H new ATOM 0 HD2 PHE A 74 -0.809 -6.380 -0.021 1.00 43.51 H new ATOM 0 HE1 PHE A 74 -0.823 -4.470 4.512 1.00 12.53 H new ATOM 0 HE2 PHE A 74 0.078 -4.121 0.360 1.00 33.11 H new ATOM 0 HZ PHE A 74 0.075 -3.162 2.628 1.00 12.44 H new ATOM 1147 N GLU A 75 -4.061 -7.854 -0.430 1.00 31.41 N ATOM 1148 CA GLU A 75 -4.667 -7.148 -1.554 1.00 3.01 C ATOM 1149 C GLU A 75 -6.167 -6.974 -1.345 1.00 50.41 C ATOM 1150 O GLU A 75 -6.734 -5.942 -1.693 1.00 51.11 O ATOM 1151 CB GLU A 75 -4.396 -7.897 -2.859 1.00 0.11 C ATOM 1152 CG GLU A 75 -2.923 -7.945 -3.222 1.00 32.30 C ATOM 1153 CD GLU A 75 -2.665 -8.627 -4.548 1.00 42.45 C ATOM 1154 OE1 GLU A 75 -3.208 -9.728 -4.775 1.00 2.33 O ATOM 1155 OE2 GLU A 75 -1.909 -8.066 -5.368 1.00 2.23 O ATOM 0 H GLU A 75 -3.664 -8.762 -0.672 1.00 31.41 H new ATOM 0 HA GLU A 75 -4.216 -6.158 -1.616 1.00 3.01 H new ATOM 0 HB2 GLU A 75 -4.776 -8.915 -2.773 1.00 0.11 H new ATOM 0 HB3 GLU A 75 -4.948 -7.418 -3.668 1.00 0.11 H new ATOM 0 HG2 GLU A 75 -2.530 -6.929 -3.259 1.00 32.30 H new ATOM 0 HG3 GLU A 75 -2.378 -8.469 -2.437 1.00 32.30 H new ATOM 1162 N LEU A 76 -6.798 -7.979 -0.757 1.00 34.23 N ATOM 1163 CA LEU A 76 -8.216 -7.943 -0.475 1.00 12.43 C ATOM 1164 C LEU A 76 -8.555 -6.855 0.537 1.00 63.01 C ATOM 1165 O LEU A 76 -9.568 -6.168 0.408 1.00 61.05 O ATOM 1166 CB LEU A 76 -8.648 -9.310 0.054 1.00 52.10 C ATOM 1167 CG LEU A 76 -8.974 -10.354 -1.013 1.00 15.51 C ATOM 1168 CD1 LEU A 76 -9.274 -11.698 -0.368 1.00 2.34 C ATOM 1169 CD2 LEU A 76 -10.147 -9.897 -1.865 1.00 53.23 C ATOM 0 H LEU A 76 -6.337 -8.840 -0.464 1.00 34.23 H new ATOM 0 HA LEU A 76 -8.752 -7.711 -1.395 1.00 12.43 H new ATOM 0 HB2 LEU A 76 -7.854 -9.702 0.690 1.00 52.10 H new ATOM 0 HB3 LEU A 76 -9.526 -9.175 0.686 1.00 52.10 H new ATOM 0 HG LEU A 76 -8.104 -10.469 -1.660 1.00 15.51 H new ATOM 0 HD11 LEU A 76 -9.504 -12.430 -1.142 1.00 2.34 H new ATOM 0 HD12 LEU A 76 -8.405 -12.031 0.200 1.00 2.34 H new ATOM 0 HD13 LEU A 76 -10.128 -11.598 0.302 1.00 2.34 H new ATOM 0 HD21 LEU A 76 -10.365 -10.653 -2.619 1.00 53.23 H new ATOM 0 HD22 LEU A 76 -11.022 -9.753 -1.232 1.00 53.23 H new ATOM 0 HD23 LEU A 76 -9.896 -8.957 -2.356 1.00 53.23 H new ATOM 1181 N LYS A 77 -7.705 -6.693 1.540 1.00 64.50 N ATOM 1182 CA LYS A 77 -7.939 -5.689 2.566 1.00 22.00 C ATOM 1183 C LYS A 77 -7.542 -4.293 2.093 1.00 4.22 C ATOM 1184 O LYS A 77 -8.175 -3.308 2.471 1.00 42.33 O ATOM 1185 CB LYS A 77 -7.219 -6.060 3.867 1.00 72.34 C ATOM 1186 CG LYS A 77 -7.995 -7.072 4.696 1.00 43.44 C ATOM 1187 CD LYS A 77 -7.332 -7.368 6.036 1.00 4.41 C ATOM 1188 CE LYS A 77 -6.086 -8.223 5.882 1.00 35.54 C ATOM 1189 NZ LYS A 77 -5.595 -8.722 7.196 1.00 71.50 N ATOM 0 H LYS A 77 -6.853 -7.240 1.665 1.00 64.50 H new ATOM 0 HA LYS A 77 -9.010 -5.668 2.766 1.00 22.00 H new ATOM 0 HB2 LYS A 77 -6.236 -6.467 3.631 1.00 72.34 H new ATOM 0 HB3 LYS A 77 -7.057 -5.159 4.458 1.00 72.34 H new ATOM 0 HG2 LYS A 77 -9.003 -6.696 4.870 1.00 43.44 H new ATOM 0 HG3 LYS A 77 -8.093 -7.999 4.131 1.00 43.44 H new ATOM 0 HD2 LYS A 77 -7.069 -6.430 6.525 1.00 4.41 H new ATOM 0 HD3 LYS A 77 -8.043 -7.878 6.687 1.00 4.41 H new ATOM 0 HE2 LYS A 77 -6.303 -9.069 5.230 1.00 35.54 H new ATOM 0 HE3 LYS A 77 -5.302 -7.640 5.398 1.00 35.54 H new ATOM 0 HZ1 LYS A 77 -5.108 -9.631 7.062 1.00 71.50 H new ATOM 0 HZ2 LYS A 77 -4.934 -8.031 7.604 1.00 71.50 H new ATOM 0 HZ3 LYS A 77 -6.401 -8.853 7.841 1.00 71.50 H new ATOM 1203 N THR A 78 -6.517 -4.204 1.251 1.00 42.33 N ATOM 1204 CA THR A 78 -6.072 -2.912 0.744 1.00 3.23 C ATOM 1205 C THR A 78 -7.036 -2.357 -0.301 1.00 14.12 C ATOM 1206 O THR A 78 -7.175 -1.144 -0.437 1.00 1.04 O ATOM 1207 CB THR A 78 -4.649 -2.985 0.159 1.00 70.14 C ATOM 1208 OG1 THR A 78 -4.505 -4.162 -0.642 1.00 2.12 O ATOM 1209 CG2 THR A 78 -3.609 -2.983 1.267 1.00 3.00 C ATOM 0 H THR A 78 -5.984 -5.003 0.908 1.00 42.33 H new ATOM 0 HA THR A 78 -6.056 -2.233 1.597 1.00 3.23 H new ATOM 0 HB THR A 78 -4.491 -2.105 -0.465 1.00 70.14 H new ATOM 0 HG1 THR A 78 -4.360 -4.938 -0.061 1.00 2.12 H new ATOM 0 HG21 THR A 78 -2.612 -3.035 0.830 1.00 3.00 H new ATOM 0 HG22 THR A 78 -3.702 -2.068 1.851 1.00 3.00 H new ATOM 0 HG23 THR A 78 -3.767 -3.845 1.915 1.00 3.00 H new ATOM 1217 N ARG A 79 -7.711 -3.248 -1.023 1.00 35.51 N ATOM 1218 CA ARG A 79 -8.725 -2.863 -1.989 1.00 63.24 C ATOM 1219 C ARG A 79 -9.806 -1.996 -1.360 1.00 23.02 C ATOM 1220 O ARG A 79 -10.255 -1.017 -1.952 1.00 21.23 O ATOM 1221 CB ARG A 79 -9.332 -4.119 -2.597 1.00 40.52 C ATOM 1222 CG ARG A 79 -8.623 -4.567 -3.859 1.00 14.35 C ATOM 1223 CD ARG A 79 -9.011 -3.690 -5.036 1.00 11.14 C ATOM 1224 NE ARG A 79 -8.143 -3.882 -6.197 1.00 41.44 N ATOM 1225 CZ ARG A 79 -8.358 -4.778 -7.158 1.00 12.41 C ATOM 1226 NH1 ARG A 79 -9.398 -5.600 -7.095 1.00 12.25 N ATOM 1227 NH2 ARG A 79 -7.537 -4.830 -8.200 1.00 11.42 N ATOM 0 H ARG A 79 -7.567 -4.255 -0.952 1.00 35.51 H new ATOM 0 HA ARG A 79 -8.253 -2.265 -2.769 1.00 63.24 H new ATOM 0 HB2 ARG A 79 -9.299 -4.924 -1.863 1.00 40.52 H new ATOM 0 HB3 ARG A 79 -10.383 -3.936 -2.822 1.00 40.52 H new ATOM 0 HG2 ARG A 79 -7.544 -4.526 -3.709 1.00 14.35 H new ATOM 0 HG3 ARG A 79 -8.876 -5.605 -4.074 1.00 14.35 H new ATOM 0 HD2 ARG A 79 -10.041 -3.905 -5.319 1.00 11.14 H new ATOM 0 HD3 ARG A 79 -8.976 -2.644 -4.731 1.00 11.14 H new ATOM 0 HE ARG A 79 -7.317 -3.289 -6.276 1.00 41.44 H new ATOM 0 HH11 ARG A 79 -10.041 -5.549 -6.305 1.00 12.25 H new ATOM 0 HH12 ARG A 79 -9.554 -6.283 -7.836 1.00 12.25 H new ATOM 0 HH21 ARG A 79 -6.748 -4.186 -8.260 1.00 11.42 H new ATOM 0 HH22 ARG A 79 -7.695 -5.514 -8.940 1.00 11.42 H new ATOM 1241 N SER A 80 -10.241 -2.374 -0.170 1.00 33.45 N ATOM 1242 CA SER A 80 -11.249 -1.626 0.547 1.00 45.53 C ATOM 1243 C SER A 80 -10.746 -0.234 0.948 1.00 41.43 C ATOM 1244 O SER A 80 -11.526 0.716 1.027 1.00 41.32 O ATOM 1245 CB SER A 80 -11.667 -2.423 1.776 1.00 30.52 C ATOM 1246 OG SER A 80 -12.019 -3.750 1.415 1.00 63.45 O ATOM 0 H SER A 80 -9.905 -3.203 0.320 1.00 33.45 H new ATOM 0 HA SER A 80 -12.107 -1.474 -0.107 1.00 45.53 H new ATOM 0 HB2 SER A 80 -10.851 -2.441 2.499 1.00 30.52 H new ATOM 0 HB3 SER A 80 -12.513 -1.936 2.262 1.00 30.52 H new ATOM 0 HG SER A 80 -12.283 -4.248 2.217 1.00 63.45 H new ATOM 1252 N LEU A 81 -9.446 -0.119 1.187 1.00 51.35 N ATOM 1253 CA LEU A 81 -8.850 1.156 1.557 1.00 11.52 C ATOM 1254 C LEU A 81 -8.655 2.006 0.317 1.00 3.13 C ATOM 1255 O LEU A 81 -8.927 3.205 0.314 1.00 64.25 O ATOM 1256 CB LEU A 81 -7.490 0.942 2.217 1.00 51.43 C ATOM 1257 CG LEU A 81 -7.325 -0.368 2.976 1.00 70.12 C ATOM 1258 CD1 LEU A 81 -5.889 -0.521 3.451 1.00 41.02 C ATOM 1259 CD2 LEU A 81 -8.287 -0.444 4.154 1.00 55.22 C ATOM 0 H LEU A 81 -8.785 -0.894 1.131 1.00 51.35 H new ATOM 0 HA LEU A 81 -9.518 1.655 2.258 1.00 11.52 H new ATOM 0 HB2 LEU A 81 -6.720 0.994 1.447 1.00 51.43 H new ATOM 0 HB3 LEU A 81 -7.307 1.766 2.907 1.00 51.43 H new ATOM 0 HG LEU A 81 -7.561 -1.188 2.297 1.00 70.12 H new ATOM 0 HD11 LEU A 81 -5.783 -1.461 3.992 1.00 41.02 H new ATOM 0 HD12 LEU A 81 -5.219 -0.520 2.591 1.00 41.02 H new ATOM 0 HD13 LEU A 81 -5.634 0.308 4.111 1.00 41.02 H new ATOM 0 HD21 LEU A 81 -8.147 -1.390 4.678 1.00 55.22 H new ATOM 0 HD22 LEU A 81 -8.091 0.382 4.838 1.00 55.22 H new ATOM 0 HD23 LEU A 81 -9.313 -0.379 3.791 1.00 55.22 H new