USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 491 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 15 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 17 ASN : amide:sc=-0.00152 K(o=-0.0015,f=-1.4) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.95) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 54:sc= 0.79 USER MOD Single : A 37 ASN : amide:sc= -1.6 K(o=-1.6,f=-5.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N ALA A 5 0.563 1.628 -6.329 1.00 11.31 N ATOM 65 CA ALA A 5 -0.879 1.570 -6.120 1.00 64.24 C ATOM 66 C ALA A 5 -1.633 1.867 -7.412 1.00 4.51 C ATOM 67 O ALA A 5 -1.095 2.454 -8.352 1.00 34.03 O ATOM 68 CB ALA A 5 -1.294 2.544 -5.028 1.00 2.11 C ATOM 0 HA ALA A 5 -1.135 0.558 -5.805 1.00 64.24 H new ATOM 0 HB1 ALA A 5 -2.373 2.490 -4.883 1.00 2.11 H new ATOM 0 HB2 ALA A 5 -0.789 2.284 -4.098 1.00 2.11 H new ATOM 0 HB3 ALA A 5 -1.018 3.557 -5.320 1.00 2.11 H new ATOM 74 N PRO A 6 -2.908 1.454 -7.462 1.00 64.04 N ATOM 75 CA PRO A 6 -3.763 1.666 -8.634 1.00 64.52 C ATOM 76 C PRO A 6 -4.128 3.133 -8.828 1.00 12.23 C ATOM 77 O PRO A 6 -4.295 3.874 -7.859 1.00 31.04 O ATOM 78 CB PRO A 6 -5.012 0.841 -8.315 1.00 70.33 C ATOM 79 CG PRO A 6 -5.048 0.768 -6.828 1.00 30.52 C ATOM 80 CD PRO A 6 -3.613 0.749 -6.379 1.00 61.42 C ATOM 0 HA PRO A 6 -3.267 1.373 -9.559 1.00 64.52 H new ATOM 0 HB2 PRO A 6 -5.911 1.315 -8.710 1.00 70.33 H new ATOM 0 HB3 PRO A 6 -4.954 -0.153 -8.759 1.00 70.33 H new ATOM 0 HG2 PRO A 6 -5.577 1.624 -6.408 1.00 30.52 H new ATOM 0 HG3 PRO A 6 -5.573 -0.127 -6.494 1.00 30.52 H new ATOM 0 HD2 PRO A 6 -3.485 1.253 -5.421 1.00 61.42 H new ATOM 0 HD3 PRO A 6 -3.244 -0.269 -6.255 1.00 61.42 H new ATOM 88 N ARG A 7 -4.252 3.547 -10.085 1.00 23.24 N ATOM 89 CA ARG A 7 -4.597 4.927 -10.404 1.00 71.34 C ATOM 90 C ARG A 7 -4.856 5.090 -11.899 1.00 60.23 C ATOM 91 O ARG A 7 -4.077 4.621 -12.729 1.00 33.01 O ATOM 92 CB ARG A 7 -3.477 5.870 -9.964 1.00 45.51 C ATOM 93 CG ARG A 7 -2.085 5.368 -10.313 1.00 0.30 C ATOM 94 CD ARG A 7 -1.157 6.514 -10.687 1.00 30.41 C ATOM 95 NE ARG A 7 0.232 6.229 -10.338 1.00 21.33 N ATOM 96 CZ ARG A 7 1.268 6.881 -10.854 1.00 21.33 C ATOM 97 NH1 ARG A 7 1.072 7.850 -11.737 1.00 5.12 N ATOM 98 NH2 ARG A 7 2.503 6.564 -10.486 1.00 20.21 N ATOM 0 H ARG A 7 -4.119 2.947 -10.899 1.00 23.24 H new ATOM 0 HA ARG A 7 -5.509 5.181 -9.864 1.00 71.34 H new ATOM 0 HB2 ARG A 7 -3.630 6.844 -10.429 1.00 45.51 H new ATOM 0 HB3 ARG A 7 -3.541 6.018 -8.886 1.00 45.51 H new ATOM 0 HG2 ARG A 7 -1.670 4.824 -9.464 1.00 0.30 H new ATOM 0 HG3 ARG A 7 -2.148 4.664 -11.143 1.00 0.30 H new ATOM 0 HD2 ARG A 7 -1.230 6.705 -11.758 1.00 30.41 H new ATOM 0 HD3 ARG A 7 -1.480 7.423 -10.178 1.00 30.41 H new ATOM 0 HE ARG A 7 0.417 5.489 -9.661 1.00 21.33 H new ATOM 0 HH11 ARG A 7 0.124 8.096 -12.022 1.00 5.12 H new ATOM 0 HH12 ARG A 7 1.869 8.349 -12.132 1.00 5.12 H new ATOM 0 HH21 ARG A 7 2.657 5.819 -9.806 1.00 20.21 H new ATOM 0 HH22 ARG A 7 3.298 7.065 -10.883 1.00 20.21 H new ATOM 112 N ALA A 8 -5.955 5.757 -12.235 1.00 12.11 N ATOM 113 CA ALA A 8 -6.316 5.983 -13.629 1.00 1.31 C ATOM 114 C ALA A 8 -6.466 7.472 -13.922 1.00 54.14 C ATOM 115 O ALA A 8 -7.158 8.189 -13.200 1.00 51.02 O ATOM 116 CB ALA A 8 -7.602 5.244 -13.968 1.00 23.10 C ATOM 0 H ALA A 8 -6.611 6.151 -11.560 1.00 12.11 H new ATOM 0 HA ALA A 8 -5.512 5.595 -14.254 1.00 1.31 H new ATOM 0 HB1 ALA A 8 -7.859 5.422 -15.012 1.00 23.10 H new ATOM 0 HB2 ALA A 8 -7.461 4.175 -13.806 1.00 23.10 H new ATOM 0 HB3 ALA A 8 -8.408 5.605 -13.329 1.00 23.10 H new ATOM 122 N GLU A 9 -5.814 7.930 -14.986 1.00 63.12 N ATOM 123 CA GLU A 9 -5.875 9.335 -15.373 1.00 62.50 C ATOM 124 C GLU A 9 -7.159 9.632 -16.142 1.00 63.34 C ATOM 125 O GLU A 9 -7.412 9.049 -17.197 1.00 1.44 O ATOM 126 CB GLU A 9 -4.659 9.705 -16.225 1.00 52.22 C ATOM 127 CG GLU A 9 -4.725 11.109 -16.802 1.00 14.43 C ATOM 128 CD GLU A 9 -3.502 11.459 -17.627 1.00 55.42 C ATOM 129 OE1 GLU A 9 -2.376 11.183 -17.164 1.00 0.52 O ATOM 130 OE2 GLU A 9 -3.671 12.009 -18.735 1.00 55.05 O ATOM 0 H GLU A 9 -5.238 7.349 -15.595 1.00 63.12 H new ATOM 0 HA GLU A 9 -5.869 9.937 -14.464 1.00 62.50 H new ATOM 0 HB2 GLU A 9 -3.759 9.613 -15.618 1.00 52.22 H new ATOM 0 HB3 GLU A 9 -4.567 8.989 -17.042 1.00 52.22 H new ATOM 0 HG2 GLU A 9 -5.616 11.201 -17.423 1.00 14.43 H new ATOM 0 HG3 GLU A 9 -4.828 11.827 -15.989 1.00 14.43 H new ATOM 137 N ALA A 10 -7.966 10.542 -15.606 1.00 64.54 N ATOM 138 CA ALA A 10 -9.222 10.917 -16.242 1.00 52.53 C ATOM 139 C ALA A 10 -8.986 11.460 -17.647 1.00 45.45 C ATOM 140 O ALA A 10 -8.387 12.523 -17.821 1.00 62.20 O ATOM 141 CB ALA A 10 -9.956 11.945 -15.394 1.00 12.31 C ATOM 0 H ALA A 10 -7.772 11.033 -14.733 1.00 64.54 H new ATOM 0 HA ALA A 10 -9.839 10.023 -16.326 1.00 52.53 H new ATOM 0 HB1 ALA A 10 -10.893 12.216 -15.881 1.00 12.31 H new ATOM 0 HB2 ALA A 10 -10.167 11.523 -14.412 1.00 12.31 H new ATOM 0 HB3 ALA A 10 -9.335 12.834 -15.281 1.00 12.31 H new ATOM 147 N LEU A 11 -9.458 10.725 -18.648 1.00 0.21 N ATOM 148 CA LEU A 11 -9.297 11.133 -20.039 1.00 71.04 C ATOM 149 C LEU A 11 -10.242 12.280 -20.383 1.00 71.25 C ATOM 150 O LEU A 11 -9.992 13.046 -21.314 1.00 53.02 O ATOM 151 CB LEU A 11 -9.554 9.948 -20.972 1.00 34.23 C ATOM 152 CG LEU A 11 -8.562 8.789 -20.873 1.00 70.33 C ATOM 153 CD1 LEU A 11 -8.857 7.742 -21.936 1.00 61.22 C ATOM 154 CD2 LEU A 11 -7.134 9.297 -21.004 1.00 63.14 C ATOM 0 H LEU A 11 -9.955 9.843 -18.522 1.00 0.21 H new ATOM 0 HA LEU A 11 -8.272 11.478 -20.174 1.00 71.04 H new ATOM 0 HB2 LEU A 11 -10.554 9.563 -20.771 1.00 34.23 H new ATOM 0 HB3 LEU A 11 -9.554 10.313 -21.999 1.00 34.23 H new ATOM 0 HG LEU A 11 -8.672 8.324 -19.893 1.00 70.33 H new ATOM 0 HD11 LEU A 11 -8.141 6.925 -21.850 1.00 61.22 H new ATOM 0 HD12 LEU A 11 -9.867 7.356 -21.796 1.00 61.22 H new ATOM 0 HD13 LEU A 11 -8.775 8.194 -22.924 1.00 61.22 H new ATOM 0 HD21 LEU A 11 -6.441 8.458 -20.931 1.00 63.14 H new ATOM 0 HD22 LEU A 11 -7.009 9.788 -21.969 1.00 63.14 H new ATOM 0 HD23 LEU A 11 -6.927 10.009 -20.205 1.00 63.14 H new ATOM 166 N PHE A 12 -11.328 12.393 -19.625 1.00 45.12 N ATOM 167 CA PHE A 12 -12.310 13.447 -19.849 1.00 2.42 C ATOM 168 C PHE A 12 -12.863 13.965 -18.524 1.00 51.14 C ATOM 169 O PHE A 12 -12.425 13.550 -17.451 1.00 61.25 O ATOM 170 CB PHE A 12 -13.453 12.931 -20.725 1.00 41.12 C ATOM 171 CG PHE A 12 -12.985 12.197 -21.949 1.00 73.40 C ATOM 172 CD1 PHE A 12 -12.751 10.832 -21.907 1.00 20.44 C ATOM 173 CD2 PHE A 12 -12.781 12.871 -23.142 1.00 23.10 C ATOM 174 CE1 PHE A 12 -12.320 10.154 -23.031 1.00 61.41 C ATOM 175 CE2 PHE A 12 -12.350 12.198 -24.270 1.00 10.10 C ATOM 176 CZ PHE A 12 -12.120 10.837 -24.215 1.00 14.44 C ATOM 0 H PHE A 12 -11.550 11.768 -18.850 1.00 45.12 H new ATOM 0 HA PHE A 12 -11.812 14.270 -20.362 1.00 2.42 H new ATOM 0 HB2 PHE A 12 -14.084 12.268 -20.132 1.00 41.12 H new ATOM 0 HB3 PHE A 12 -14.074 13.773 -21.031 1.00 41.12 H new ATOM 0 HD1 PHE A 12 -12.907 10.292 -20.985 1.00 20.44 H new ATOM 0 HD2 PHE A 12 -12.961 13.935 -23.191 1.00 23.10 H new ATOM 0 HE1 PHE A 12 -12.139 9.090 -22.984 1.00 61.41 H new ATOM 0 HE2 PHE A 12 -12.193 12.736 -25.193 1.00 10.10 H new ATOM 0 HZ PHE A 12 -11.785 10.308 -25.095 1.00 14.44 H new ATOM 186 N ASP A 13 -13.828 14.874 -18.608 1.00 42.54 N ATOM 187 CA ASP A 13 -14.442 15.450 -17.417 1.00 73.55 C ATOM 188 C ASP A 13 -15.746 14.734 -17.079 1.00 75.15 C ATOM 189 O ASP A 13 -16.708 14.778 -17.847 1.00 12.51 O ATOM 190 CB ASP A 13 -14.704 16.942 -17.623 1.00 3.53 C ATOM 191 CG ASP A 13 -13.625 17.610 -18.453 1.00 10.44 C ATOM 192 OD1 ASP A 13 -13.649 17.456 -19.692 1.00 2.51 O ATOM 193 OD2 ASP A 13 -12.758 18.288 -17.863 1.00 25.31 O ATOM 0 H ASP A 13 -14.202 15.228 -19.488 1.00 42.54 H new ATOM 0 HA ASP A 13 -13.751 15.322 -16.584 1.00 73.55 H new ATOM 0 HB2 ASP A 13 -15.669 17.074 -18.112 1.00 3.53 H new ATOM 0 HB3 ASP A 13 -14.769 17.434 -16.653 1.00 3.53 H new ATOM 198 N PHE A 14 -15.771 14.074 -15.927 1.00 34.55 N ATOM 199 CA PHE A 14 -16.957 13.346 -15.488 1.00 3.24 C ATOM 200 C PHE A 14 -17.705 14.126 -14.410 1.00 72.33 C ATOM 201 O PHE A 14 -17.129 14.973 -13.727 1.00 34.14 O ATOM 202 CB PHE A 14 -16.566 11.966 -14.956 1.00 31.23 C ATOM 203 CG PHE A 14 -17.742 11.066 -14.703 1.00 0.11 C ATOM 204 CD1 PHE A 14 -18.691 10.851 -15.689 1.00 52.11 C ATOM 205 CD2 PHE A 14 -17.898 10.435 -13.479 1.00 62.13 C ATOM 206 CE1 PHE A 14 -19.774 10.024 -15.459 1.00 15.33 C ATOM 207 CE2 PHE A 14 -18.979 9.607 -13.243 1.00 61.43 C ATOM 208 CZ PHE A 14 -19.918 9.400 -14.235 1.00 1.42 C ATOM 0 H PHE A 14 -14.984 14.028 -15.280 1.00 34.55 H new ATOM 0 HA PHE A 14 -17.617 13.223 -16.347 1.00 3.24 H new ATOM 0 HB2 PHE A 14 -15.898 11.486 -15.671 1.00 31.23 H new ATOM 0 HB3 PHE A 14 -16.006 12.088 -14.029 1.00 31.23 H new ATOM 0 HD1 PHE A 14 -18.583 11.335 -16.648 1.00 52.11 H new ATOM 0 HD2 PHE A 14 -17.166 10.592 -12.700 1.00 62.13 H new ATOM 0 HE1 PHE A 14 -20.507 9.866 -16.236 1.00 15.33 H new ATOM 0 HE2 PHE A 14 -19.090 9.122 -12.284 1.00 61.43 H new ATOM 0 HZ PHE A 14 -20.763 8.752 -14.054 1.00 1.42 H new ATOM 218 N THR A 15 -18.994 13.834 -14.265 1.00 30.34 N ATOM 219 CA THR A 15 -19.823 14.507 -13.273 1.00 1.12 C ATOM 220 C THR A 15 -20.999 13.633 -12.854 1.00 73.34 C ATOM 221 O THR A 15 -22.064 13.671 -13.470 1.00 2.32 O ATOM 222 CB THR A 15 -20.359 15.849 -13.807 1.00 33.24 C ATOM 223 OG1 THR A 15 -19.288 16.617 -14.365 1.00 50.40 O ATOM 224 CG2 THR A 15 -21.034 16.641 -12.697 1.00 55.35 C ATOM 0 H THR A 15 -19.486 13.136 -14.822 1.00 30.34 H new ATOM 0 HA THR A 15 -19.189 14.696 -12.407 1.00 1.12 H new ATOM 0 HB THR A 15 -21.096 15.639 -14.582 1.00 33.24 H new ATOM 0 HG1 THR A 15 -19.637 17.468 -14.704 1.00 50.40 H new ATOM 0 HG21 THR A 15 -21.405 17.585 -13.097 1.00 55.35 H new ATOM 0 HG22 THR A 15 -21.867 16.065 -12.294 1.00 55.35 H new ATOM 0 HG23 THR A 15 -20.314 16.841 -11.903 1.00 55.35 H new ATOM 232 N GLY A 16 -20.800 12.844 -11.802 1.00 53.42 N ATOM 233 CA GLY A 16 -21.854 11.972 -11.319 1.00 74.32 C ATOM 234 C GLY A 16 -23.107 12.733 -10.936 1.00 15.54 C ATOM 235 O GLY A 16 -23.187 13.946 -11.126 1.00 12.22 O ATOM 0 H GLY A 16 -19.928 12.794 -11.276 1.00 53.42 H new ATOM 0 HA2 GLY A 16 -22.098 11.241 -12.090 1.00 74.32 H new ATOM 0 HA3 GLY A 16 -21.493 11.415 -10.455 1.00 74.32 H new ATOM 239 N ASN A 17 -24.090 12.020 -10.395 1.00 62.21 N ATOM 240 CA ASN A 17 -25.347 12.636 -9.986 1.00 4.21 C ATOM 241 C ASN A 17 -25.418 12.771 -8.468 1.00 24.22 C ATOM 242 O ASN A 17 -25.467 13.879 -7.934 1.00 74.02 O ATOM 243 CB ASN A 17 -26.532 11.811 -10.492 1.00 2.41 C ATOM 244 CG ASN A 17 -27.801 12.633 -10.607 1.00 10.30 C ATOM 245 OD1 ASN A 17 -27.940 13.675 -9.965 1.00 62.31 O ATOM 246 ND2 ASN A 17 -28.735 12.167 -11.428 1.00 11.32 N ATOM 0 H ASN A 17 -24.040 11.015 -10.230 1.00 62.21 H new ATOM 0 HA ASN A 17 -25.394 13.633 -10.424 1.00 4.21 H new ATOM 0 HB2 ASN A 17 -26.287 11.388 -11.466 1.00 2.41 H new ATOM 0 HB3 ASN A 17 -26.704 10.974 -9.815 1.00 2.41 H new ATOM 0 HD21 ASN A 17 -29.610 12.677 -11.547 1.00 11.32 H new ATOM 0 HD22 ASN A 17 -28.577 11.299 -11.940 1.00 11.32 H new ATOM 253 N SER A 18 -25.421 11.635 -7.778 1.00 32.40 N ATOM 254 CA SER A 18 -25.489 11.625 -6.321 1.00 72.04 C ATOM 255 C SER A 18 -24.110 11.382 -5.715 1.00 15.52 C ATOM 256 O SER A 18 -23.100 11.391 -6.417 1.00 65.45 O ATOM 257 CB SER A 18 -26.466 10.549 -5.842 1.00 40.34 C ATOM 258 OG SER A 18 -27.372 11.072 -4.886 1.00 44.10 O ATOM 0 H SER A 18 -25.377 10.709 -8.204 1.00 32.40 H new ATOM 0 HA SER A 18 -25.845 12.601 -5.992 1.00 72.04 H new ATOM 0 HB2 SER A 18 -27.019 10.151 -6.693 1.00 40.34 H new ATOM 0 HB3 SER A 18 -25.912 9.718 -5.406 1.00 40.34 H new ATOM 0 HG SER A 18 -27.987 10.365 -4.597 1.00 44.10 H new ATOM 264 N LYS A 19 -24.077 11.167 -4.404 1.00 74.31 N ATOM 265 CA LYS A 19 -22.825 10.920 -3.700 1.00 44.41 C ATOM 266 C LYS A 19 -22.221 9.582 -4.115 1.00 14.21 C ATOM 267 O LYS A 19 -21.009 9.384 -4.031 1.00 64.42 O ATOM 268 CB LYS A 19 -23.053 10.942 -2.187 1.00 71.31 C ATOM 269 CG LYS A 19 -23.945 12.080 -1.723 1.00 33.13 C ATOM 270 CD LYS A 19 -23.321 12.841 -0.565 1.00 72.01 C ATOM 271 CE LYS A 19 -23.342 12.022 0.716 1.00 31.23 C ATOM 272 NZ LYS A 19 -22.987 12.844 1.906 1.00 64.10 N ATOM 0 H LYS A 19 -24.904 11.159 -3.807 1.00 74.31 H new ATOM 0 HA LYS A 19 -22.126 11.712 -3.967 1.00 44.41 H new ATOM 0 HB2 LYS A 19 -23.498 9.995 -1.881 1.00 71.31 H new ATOM 0 HB3 LYS A 19 -22.089 11.019 -1.684 1.00 71.31 H new ATOM 0 HG2 LYS A 19 -24.126 12.763 -2.553 1.00 33.13 H new ATOM 0 HG3 LYS A 19 -24.914 11.683 -1.419 1.00 33.13 H new ATOM 0 HD2 LYS A 19 -22.293 13.104 -0.813 1.00 72.01 H new ATOM 0 HD3 LYS A 19 -23.860 13.775 -0.410 1.00 72.01 H new ATOM 0 HE2 LYS A 19 -24.333 11.591 0.855 1.00 31.23 H new ATOM 0 HE3 LYS A 19 -22.643 11.191 0.627 1.00 31.23 H new ATOM 0 HZ1 LYS A 19 -23.013 12.249 2.759 1.00 64.10 H new ATOM 0 HZ2 LYS A 19 -22.031 13.235 1.785 1.00 64.10 H new ATOM 0 HZ3 LYS A 19 -23.669 13.623 2.006 1.00 64.10 H new ATOM 286 N LEU A 20 -23.074 8.668 -4.563 1.00 73.25 N ATOM 287 CA LEU A 20 -22.625 7.348 -4.993 1.00 50.13 C ATOM 288 C LEU A 20 -21.849 7.437 -6.303 1.00 42.14 C ATOM 289 O LEU A 20 -21.097 6.528 -6.653 1.00 32.30 O ATOM 290 CB LEU A 20 -23.821 6.409 -5.159 1.00 14.31 C ATOM 291 CG LEU A 20 -24.944 6.565 -4.132 1.00 41.13 C ATOM 292 CD1 LEU A 20 -25.986 5.472 -4.311 1.00 10.00 C ATOM 293 CD2 LEU A 20 -24.381 6.542 -2.719 1.00 22.22 C ATOM 0 H LEU A 20 -24.080 8.816 -4.638 1.00 73.25 H new ATOM 0 HA LEU A 20 -21.962 6.949 -4.225 1.00 50.13 H new ATOM 0 HB2 LEU A 20 -24.241 6.561 -6.153 1.00 14.31 H new ATOM 0 HB3 LEU A 20 -23.459 5.382 -5.119 1.00 14.31 H new ATOM 0 HG LEU A 20 -25.427 7.529 -4.293 1.00 41.13 H new ATOM 0 HD11 LEU A 20 -26.777 5.599 -3.572 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -26.411 5.535 -5.313 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -25.517 4.497 -4.177 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -25.194 6.654 -2.002 1.00 22.22 H new ATOM 0 HD22 LEU A 20 -23.872 5.594 -2.545 1.00 22.22 H new ATOM 0 HD23 LEU A 20 -23.673 7.362 -2.596 1.00 22.22 H new ATOM 305 N GLU A 21 -22.035 8.540 -7.022 1.00 73.21 N ATOM 306 CA GLU A 21 -21.351 8.747 -8.293 1.00 1.31 C ATOM 307 C GLU A 21 -20.211 9.750 -8.139 1.00 41.05 C ATOM 308 O GLU A 21 -20.398 10.843 -7.604 1.00 12.33 O ATOM 309 CB GLU A 21 -22.337 9.239 -9.354 1.00 73.55 C ATOM 310 CG GLU A 21 -23.418 8.227 -9.696 1.00 32.44 C ATOM 311 CD GLU A 21 -23.819 8.272 -11.157 1.00 70.54 C ATOM 312 OE1 GLU A 21 -22.969 7.951 -12.015 1.00 35.11 O ATOM 313 OE2 GLU A 21 -24.981 8.627 -11.444 1.00 11.21 O ATOM 0 H GLU A 21 -22.653 9.303 -6.746 1.00 73.21 H new ATOM 0 HA GLU A 21 -20.933 7.792 -8.611 1.00 1.31 H new ATOM 0 HB2 GLU A 21 -22.808 10.157 -9.002 1.00 73.55 H new ATOM 0 HB3 GLU A 21 -21.787 9.491 -10.261 1.00 73.55 H new ATOM 0 HG2 GLU A 21 -23.063 7.226 -9.451 1.00 32.44 H new ATOM 0 HG3 GLU A 21 -24.295 8.415 -9.077 1.00 32.44 H new ATOM 320 N LEU A 22 -19.029 9.370 -8.613 1.00 12.13 N ATOM 321 CA LEU A 22 -17.857 10.235 -8.528 1.00 73.34 C ATOM 322 C LEU A 22 -17.866 11.274 -9.645 1.00 11.12 C ATOM 323 O LEU A 22 -18.455 11.058 -10.703 1.00 63.30 O ATOM 324 CB LEU A 22 -16.577 9.401 -8.603 1.00 32.42 C ATOM 325 CG LEU A 22 -15.265 10.186 -8.635 1.00 74.44 C ATOM 326 CD1 LEU A 22 -15.092 10.989 -7.356 1.00 31.13 C ATOM 327 CD2 LEU A 22 -14.086 9.246 -8.841 1.00 74.22 C ATOM 0 H LEU A 22 -18.857 8.469 -9.060 1.00 12.13 H new ATOM 0 HA LEU A 22 -17.889 10.756 -7.571 1.00 73.34 H new ATOM 0 HB2 LEU A 22 -16.554 8.729 -7.745 1.00 32.42 H new ATOM 0 HB3 LEU A 22 -16.626 8.777 -9.495 1.00 32.42 H new ATOM 0 HG LEU A 22 -15.300 10.881 -9.474 1.00 74.44 H new ATOM 0 HD11 LEU A 22 -14.153 11.541 -7.397 1.00 31.13 H new ATOM 0 HD12 LEU A 22 -15.920 11.690 -7.251 1.00 31.13 H new ATOM 0 HD13 LEU A 22 -15.078 10.313 -6.501 1.00 31.13 H new ATOM 0 HD21 LEU A 22 -13.161 9.822 -8.861 1.00 74.22 H new ATOM 0 HD22 LEU A 22 -14.048 8.526 -8.024 1.00 74.22 H new ATOM 0 HD23 LEU A 22 -14.204 8.716 -9.786 1.00 74.22 H new ATOM 339 N ASN A 23 -17.207 12.402 -9.401 1.00 12.41 N ATOM 340 CA ASN A 23 -17.138 13.475 -10.386 1.00 42.25 C ATOM 341 C ASN A 23 -15.727 14.050 -10.466 1.00 42.03 C ATOM 342 O ASN A 23 -15.297 14.794 -9.584 1.00 70.22 O ATOM 343 CB ASN A 23 -18.133 14.583 -10.036 1.00 1.21 C ATOM 344 CG ASN A 23 -18.041 15.004 -8.582 1.00 10.01 C ATOM 345 OD1 ASN A 23 -17.236 15.863 -8.222 1.00 50.35 O ATOM 346 ND2 ASN A 23 -18.868 14.398 -7.737 1.00 42.35 N ATOM 0 H ASN A 23 -16.713 12.597 -8.530 1.00 12.41 H new ATOM 0 HA ASN A 23 -17.397 13.058 -11.359 1.00 42.25 H new ATOM 0 HB2 ASN A 23 -17.949 15.447 -10.674 1.00 1.21 H new ATOM 0 HB3 ASN A 23 -19.145 14.239 -10.249 1.00 1.21 H new ATOM 0 HD21 ASN A 23 -18.852 14.639 -6.746 1.00 42.35 H new ATOM 0 HD22 ASN A 23 -19.519 13.691 -8.079 1.00 42.35 H new ATOM 353 N PHE A 24 -15.011 13.701 -11.530 1.00 23.31 N ATOM 354 CA PHE A 24 -13.648 14.181 -11.725 1.00 41.34 C ATOM 355 C PHE A 24 -13.555 15.063 -12.967 1.00 51.13 C ATOM 356 O PHE A 24 -14.564 15.370 -13.602 1.00 73.23 O ATOM 357 CB PHE A 24 -12.682 13.002 -11.850 1.00 65.44 C ATOM 358 CG PHE A 24 -13.067 12.021 -12.921 1.00 53.41 C ATOM 359 CD1 PHE A 24 -12.916 12.343 -14.260 1.00 42.13 C ATOM 360 CD2 PHE A 24 -13.581 10.778 -12.588 1.00 41.45 C ATOM 361 CE1 PHE A 24 -13.271 11.443 -15.247 1.00 41.24 C ATOM 362 CE2 PHE A 24 -13.937 9.874 -13.571 1.00 53.23 C ATOM 363 CZ PHE A 24 -13.781 10.207 -14.903 1.00 31.14 C ATOM 0 H PHE A 24 -15.352 13.088 -12.270 1.00 23.31 H new ATOM 0 HA PHE A 24 -13.372 14.777 -10.855 1.00 41.34 H new ATOM 0 HB2 PHE A 24 -11.682 13.383 -12.060 1.00 65.44 H new ATOM 0 HB3 PHE A 24 -12.631 12.482 -10.894 1.00 65.44 H new ATOM 0 HD1 PHE A 24 -12.517 13.308 -14.536 1.00 42.13 H new ATOM 0 HD2 PHE A 24 -13.705 10.513 -11.548 1.00 41.45 H new ATOM 0 HE1 PHE A 24 -13.149 11.707 -16.287 1.00 41.24 H new ATOM 0 HE2 PHE A 24 -14.337 8.908 -13.298 1.00 53.23 H new ATOM 0 HZ PHE A 24 -14.057 9.502 -15.673 1.00 31.14 H new ATOM 373 N LYS A 25 -12.336 15.468 -13.308 1.00 14.52 N ATOM 374 CA LYS A 25 -12.109 16.315 -14.473 1.00 61.53 C ATOM 375 C LYS A 25 -10.996 15.747 -15.348 1.00 45.43 C ATOM 376 O LYS A 25 -10.209 14.912 -14.904 1.00 4.22 O ATOM 377 CB LYS A 25 -11.753 17.737 -14.035 1.00 71.00 C ATOM 378 CG LYS A 25 -12.797 18.375 -13.136 1.00 13.35 C ATOM 379 CD LYS A 25 -14.061 18.720 -13.906 1.00 1.43 C ATOM 380 CE LYS A 25 -14.937 19.694 -13.132 1.00 43.12 C ATOM 381 NZ LYS A 25 -15.973 20.318 -14.001 1.00 2.54 N ATOM 0 H LYS A 25 -11.490 15.223 -12.794 1.00 14.52 H new ATOM 0 HA LYS A 25 -13.029 16.342 -15.057 1.00 61.53 H new ATOM 0 HB2 LYS A 25 -10.797 17.718 -13.511 1.00 71.00 H new ATOM 0 HB3 LYS A 25 -11.619 18.358 -14.921 1.00 71.00 H new ATOM 0 HG2 LYS A 25 -13.041 17.694 -12.321 1.00 13.35 H new ATOM 0 HG3 LYS A 25 -12.387 19.278 -12.685 1.00 13.35 H new ATOM 0 HD2 LYS A 25 -13.794 19.155 -14.869 1.00 1.43 H new ATOM 0 HD3 LYS A 25 -14.623 17.809 -14.113 1.00 1.43 H new ATOM 0 HE2 LYS A 25 -15.421 19.171 -12.308 1.00 43.12 H new ATOM 0 HE3 LYS A 25 -14.314 20.473 -12.693 1.00 43.12 H new ATOM 0 HZ1 LYS A 25 -16.549 20.975 -13.437 1.00 2.54 H new ATOM 0 HZ2 LYS A 25 -15.511 20.839 -14.773 1.00 2.54 H new ATOM 0 HZ3 LYS A 25 -16.584 19.577 -14.400 1.00 2.54 H new ATOM 395 N ALA A 26 -10.935 16.208 -16.593 1.00 60.15 N ATOM 396 CA ALA A 26 -9.916 15.749 -17.529 1.00 22.10 C ATOM 397 C ALA A 26 -8.515 16.001 -16.982 1.00 1.12 C ATOM 398 O ALA A 26 -7.986 17.107 -17.087 1.00 74.05 O ATOM 399 CB ALA A 26 -10.089 16.434 -18.876 1.00 74.25 C ATOM 0 H ALA A 26 -11.579 16.899 -16.977 1.00 60.15 H new ATOM 0 HA ALA A 26 -10.038 14.674 -17.662 1.00 22.10 H new ATOM 0 HB1 ALA A 26 -9.321 16.082 -19.565 1.00 74.25 H new ATOM 0 HB2 ALA A 26 -11.074 16.199 -19.280 1.00 74.25 H new ATOM 0 HB3 ALA A 26 -9.996 17.513 -18.750 1.00 74.25 H new ATOM 405 N GLY A 27 -7.918 14.967 -16.396 1.00 13.33 N ATOM 406 CA GLY A 27 -6.584 15.098 -15.840 1.00 12.32 C ATOM 407 C GLY A 27 -6.589 15.138 -14.324 1.00 62.55 C ATOM 408 O GLY A 27 -5.658 15.655 -13.707 1.00 64.03 O ATOM 0 H GLY A 27 -8.335 14.041 -16.297 1.00 13.33 H new ATOM 0 HA2 GLY A 27 -5.970 14.263 -16.176 1.00 12.32 H new ATOM 0 HA3 GLY A 27 -6.122 16.008 -16.223 1.00 12.32 H new ATOM 412 N ASP A 28 -7.640 14.591 -13.723 1.00 41.24 N ATOM 413 CA ASP A 28 -7.762 14.566 -12.270 1.00 54.34 C ATOM 414 C ASP A 28 -6.949 13.421 -11.676 1.00 62.10 C ATOM 415 O ASP A 28 -6.259 13.592 -10.671 1.00 32.34 O ATOM 416 CB ASP A 28 -9.230 14.431 -11.863 1.00 74.43 C ATOM 417 CG ASP A 28 -9.762 15.679 -11.188 1.00 3.44 C ATOM 418 OD1 ASP A 28 -9.262 16.781 -11.498 1.00 62.05 O ATOM 419 OD2 ASP A 28 -10.678 15.555 -10.348 1.00 40.35 O ATOM 0 H ASP A 28 -8.419 14.159 -14.219 1.00 41.24 H new ATOM 0 HA ASP A 28 -7.370 15.506 -11.881 1.00 54.34 H new ATOM 0 HB2 ASP A 28 -9.830 14.216 -12.747 1.00 74.43 H new ATOM 0 HB3 ASP A 28 -9.340 13.582 -11.188 1.00 74.43 H new ATOM 424 N VAL A 29 -7.035 12.252 -12.304 1.00 10.42 N ATOM 425 CA VAL A 29 -6.307 11.078 -11.837 1.00 51.43 C ATOM 426 C VAL A 29 -6.812 10.625 -10.472 1.00 75.14 C ATOM 427 O VAL A 29 -6.643 11.324 -9.473 1.00 53.20 O ATOM 428 CB VAL A 29 -4.795 11.355 -11.746 1.00 44.25 C ATOM 429 CG1 VAL A 29 -4.030 10.065 -11.496 1.00 25.24 C ATOM 430 CG2 VAL A 29 -4.302 12.039 -13.013 1.00 3.44 C ATOM 0 H VAL A 29 -7.602 12.093 -13.137 1.00 10.42 H new ATOM 0 HA VAL A 29 -6.481 10.287 -12.566 1.00 51.43 H new ATOM 0 HB VAL A 29 -4.616 12.025 -10.905 1.00 44.25 H new ATOM 0 HG11 VAL A 29 -2.963 10.281 -11.435 1.00 25.24 H new ATOM 0 HG12 VAL A 29 -4.365 9.619 -10.559 1.00 25.24 H new ATOM 0 HG13 VAL A 29 -4.213 9.369 -12.315 1.00 25.24 H new ATOM 0 HG21 VAL A 29 -3.231 12.227 -12.932 1.00 3.44 H new ATOM 0 HG22 VAL A 29 -4.493 11.395 -13.872 1.00 3.44 H new ATOM 0 HG23 VAL A 29 -4.828 12.985 -13.144 1.00 3.44 H new ATOM 440 N ILE A 30 -7.433 9.450 -10.438 1.00 2.43 N ATOM 441 CA ILE A 30 -7.962 8.903 -9.195 1.00 25.24 C ATOM 442 C ILE A 30 -7.065 7.791 -8.658 1.00 54.55 C ATOM 443 O ILE A 30 -6.214 7.265 -9.376 1.00 13.23 O ATOM 444 CB ILE A 30 -9.387 8.351 -9.384 1.00 0.12 C ATOM 445 CG1 ILE A 30 -10.149 9.189 -10.412 1.00 14.41 C ATOM 446 CG2 ILE A 30 -10.128 8.330 -8.055 1.00 5.50 C ATOM 447 CD1 ILE A 30 -10.030 8.666 -11.826 1.00 54.11 C ATOM 0 H ILE A 30 -7.582 8.860 -11.256 1.00 2.43 H new ATOM 0 HA ILE A 30 -7.991 9.722 -8.477 1.00 25.24 H new ATOM 0 HB ILE A 30 -9.319 7.328 -9.755 1.00 0.12 H new ATOM 0 HG12 ILE A 30 -11.202 9.222 -10.133 1.00 14.41 H new ATOM 0 HG13 ILE A 30 -9.779 10.214 -10.380 1.00 14.41 H new ATOM 0 HG21 ILE A 30 -11.134 7.937 -8.205 1.00 5.50 H new ATOM 0 HG22 ILE A 30 -9.592 7.695 -7.350 1.00 5.50 H new ATOM 0 HG23 ILE A 30 -10.190 9.343 -7.657 1.00 5.50 H new ATOM 0 HD11 ILE A 30 -10.595 9.309 -12.501 1.00 54.11 H new ATOM 0 HD12 ILE A 30 -8.982 8.659 -12.124 1.00 54.11 H new ATOM 0 HD13 ILE A 30 -10.427 7.652 -11.874 1.00 54.11 H new ATOM 459 N PHE A 31 -7.264 7.438 -7.393 1.00 62.40 N ATOM 460 CA PHE A 31 -6.474 6.388 -6.760 1.00 73.40 C ATOM 461 C PHE A 31 -7.175 5.037 -6.874 1.00 63.35 C ATOM 462 O PHE A 31 -6.575 3.990 -6.623 1.00 53.41 O ATOM 463 CB PHE A 31 -6.227 6.723 -5.288 1.00 0.41 C ATOM 464 CG PHE A 31 -4.803 7.097 -4.989 1.00 71.13 C ATOM 465 CD1 PHE A 31 -4.111 7.963 -5.821 1.00 33.22 C ATOM 466 CD2 PHE A 31 -4.157 6.582 -3.877 1.00 43.40 C ATOM 467 CE1 PHE A 31 -2.801 8.307 -5.549 1.00 2.44 C ATOM 468 CE2 PHE A 31 -2.846 6.924 -3.600 1.00 33.35 C ATOM 469 CZ PHE A 31 -2.168 7.788 -4.436 1.00 41.20 C ATOM 0 H PHE A 31 -7.965 7.863 -6.786 1.00 62.40 H new ATOM 0 HA PHE A 31 -5.517 6.327 -7.277 1.00 73.40 H new ATOM 0 HB2 PHE A 31 -6.879 7.546 -4.997 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -6.505 5.864 -4.677 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -4.601 8.373 -6.691 1.00 33.22 H new ATOM 0 HD2 PHE A 31 -4.683 5.906 -3.219 1.00 43.40 H new ATOM 0 HE1 PHE A 31 -2.272 8.981 -6.206 1.00 2.44 H new ATOM 0 HE2 PHE A 31 -2.353 6.515 -2.730 1.00 33.35 H new ATOM 0 HZ PHE A 31 -1.145 8.058 -4.221 1.00 41.20 H new ATOM 479 N LEU A 32 -8.447 5.067 -7.255 1.00 10.31 N ATOM 480 CA LEU A 32 -9.231 3.846 -7.403 1.00 20.13 C ATOM 481 C LEU A 32 -9.408 3.147 -6.059 1.00 35.23 C ATOM 482 O LEU A 32 -8.437 2.703 -5.444 1.00 53.24 O ATOM 483 CB LEU A 32 -8.555 2.900 -8.397 1.00 54.01 C ATOM 484 CG LEU A 32 -7.884 3.561 -9.602 1.00 75.50 C ATOM 485 CD1 LEU A 32 -7.386 2.507 -10.579 1.00 43.31 C ATOM 486 CD2 LEU A 32 -8.847 4.516 -10.291 1.00 54.40 C ATOM 0 H LEU A 32 -8.958 5.924 -7.467 1.00 10.31 H new ATOM 0 HA LEU A 32 -10.216 4.119 -7.783 1.00 20.13 H new ATOM 0 HB2 LEU A 32 -7.804 2.319 -7.862 1.00 54.01 H new ATOM 0 HB3 LEU A 32 -9.302 2.196 -8.763 1.00 54.01 H new ATOM 0 HG LEU A 32 -7.027 4.134 -9.248 1.00 75.50 H new ATOM 0 HD11 LEU A 32 -6.911 2.995 -11.430 1.00 43.31 H new ATOM 0 HD12 LEU A 32 -6.662 1.862 -10.081 1.00 43.31 H new ATOM 0 HD13 LEU A 32 -8.227 1.907 -10.927 1.00 43.31 H new ATOM 0 HD21 LEU A 32 -8.353 4.977 -11.146 1.00 54.40 H new ATOM 0 HD22 LEU A 32 -9.724 3.965 -10.632 1.00 54.40 H new ATOM 0 HD23 LEU A 32 -9.156 5.291 -9.589 1.00 54.40 H new ATOM 498 N LEU A 33 -10.654 3.050 -5.608 1.00 74.02 N ATOM 499 CA LEU A 33 -10.960 2.402 -4.337 1.00 53.23 C ATOM 500 C LEU A 33 -11.329 0.937 -4.548 1.00 11.23 C ATOM 501 O LEU A 33 -10.990 0.078 -3.734 1.00 11.32 O ATOM 502 CB LEU A 33 -12.105 3.132 -3.633 1.00 12.21 C ATOM 503 CG LEU A 33 -11.701 4.284 -2.712 1.00 50.11 C ATOM 504 CD1 LEU A 33 -12.538 5.520 -3.005 1.00 23.15 C ATOM 505 CD2 LEU A 33 -11.842 3.875 -1.253 1.00 50.31 C ATOM 0 H LEU A 33 -11.469 3.412 -6.104 1.00 74.02 H new ATOM 0 HA LEU A 33 -10.069 2.447 -3.710 1.00 53.23 H new ATOM 0 HB2 LEU A 33 -12.783 3.521 -4.393 1.00 12.21 H new ATOM 0 HB3 LEU A 33 -12.667 2.405 -3.047 1.00 12.21 H new ATOM 0 HG LEU A 33 -10.655 4.526 -2.901 1.00 50.11 H new ATOM 0 HD11 LEU A 33 -12.237 6.329 -2.340 1.00 23.15 H new ATOM 0 HD12 LEU A 33 -12.386 5.825 -4.040 1.00 23.15 H new ATOM 0 HD13 LEU A 33 -13.592 5.292 -2.845 1.00 23.15 H new ATOM 0 HD21 LEU A 33 -11.550 4.707 -0.612 1.00 50.31 H new ATOM 0 HD22 LEU A 33 -12.878 3.606 -1.049 1.00 50.31 H new ATOM 0 HD23 LEU A 33 -11.198 3.019 -1.051 1.00 50.31 H new ATOM 517 N SER A 34 -12.024 0.659 -5.646 1.00 41.13 N ATOM 518 CA SER A 34 -12.440 -0.702 -5.963 1.00 52.03 C ATOM 519 C SER A 34 -13.154 -0.752 -7.311 1.00 3.20 C ATOM 520 O SER A 34 -13.469 0.284 -7.897 1.00 73.32 O ATOM 521 CB SER A 34 -13.358 -1.245 -4.867 1.00 34.51 C ATOM 522 OG SER A 34 -12.648 -2.093 -3.980 1.00 51.34 O ATOM 0 H SER A 34 -12.311 1.358 -6.331 1.00 41.13 H new ATOM 0 HA SER A 34 -11.547 -1.324 -6.021 1.00 52.03 H new ATOM 0 HB2 SER A 34 -13.795 -0.416 -4.311 1.00 34.51 H new ATOM 0 HB3 SER A 34 -14.183 -1.796 -5.319 1.00 34.51 H new ATOM 0 HG SER A 34 -11.868 -1.617 -3.627 1.00 51.34 H new ATOM 528 N ARG A 35 -13.404 -1.963 -7.796 1.00 74.41 N ATOM 529 CA ARG A 35 -14.079 -2.150 -9.075 1.00 13.31 C ATOM 530 C ARG A 35 -15.508 -2.643 -8.869 1.00 15.23 C ATOM 531 O ARG A 35 -15.759 -3.522 -8.044 1.00 31.21 O ATOM 532 CB ARG A 35 -13.306 -3.143 -9.944 1.00 20.42 C ATOM 533 CG ARG A 35 -14.062 -3.581 -11.188 1.00 25.00 C ATOM 534 CD ARG A 35 -14.551 -5.016 -11.067 1.00 11.44 C ATOM 535 NE ARG A 35 -13.773 -5.932 -11.897 1.00 14.53 N ATOM 536 CZ ARG A 35 -13.907 -7.253 -11.858 1.00 13.55 C ATOM 537 NH1 ARG A 35 -14.784 -7.809 -11.034 1.00 33.14 N ATOM 538 NH2 ARG A 35 -13.163 -8.020 -12.644 1.00 52.41 N ATOM 0 H ARG A 35 -13.149 -2.830 -7.323 1.00 74.41 H new ATOM 0 HA ARG A 35 -14.115 -1.186 -9.582 1.00 13.31 H new ATOM 0 HB2 ARG A 35 -12.361 -2.691 -10.244 1.00 20.42 H new ATOM 0 HB3 ARG A 35 -13.064 -4.023 -9.348 1.00 20.42 H new ATOM 0 HG2 ARG A 35 -14.912 -2.918 -11.351 1.00 25.00 H new ATOM 0 HG3 ARG A 35 -13.414 -3.488 -12.060 1.00 25.00 H new ATOM 0 HD2 ARG A 35 -14.492 -5.332 -10.026 1.00 11.44 H new ATOM 0 HD3 ARG A 35 -15.600 -5.067 -11.357 1.00 11.44 H new ATOM 0 HE ARG A 35 -13.089 -5.536 -12.542 1.00 14.53 H new ATOM 0 HH11 ARG A 35 -15.358 -7.222 -10.428 1.00 33.14 H new ATOM 0 HH12 ARG A 35 -14.885 -8.824 -11.006 1.00 33.14 H new ATOM 0 HH21 ARG A 35 -12.487 -7.596 -13.279 1.00 52.41 H new ATOM 0 HH22 ARG A 35 -13.267 -9.034 -12.613 1.00 52.41 H new ATOM 552 N ILE A 36 -16.441 -2.070 -9.623 1.00 21.44 N ATOM 553 CA ILE A 36 -17.844 -2.452 -9.523 1.00 30.15 C ATOM 554 C ILE A 36 -18.123 -3.730 -10.306 1.00 53.15 C ATOM 555 O ILE A 36 -18.670 -4.693 -9.770 1.00 4.44 O ATOM 556 CB ILE A 36 -18.770 -1.334 -10.038 1.00 23.41 C ATOM 557 CG1 ILE A 36 -18.302 0.026 -9.516 1.00 74.11 C ATOM 558 CG2 ILE A 36 -20.208 -1.603 -9.620 1.00 3.32 C ATOM 559 CD1 ILE A 36 -18.129 0.070 -8.014 1.00 34.10 C ATOM 0 H ILE A 36 -16.250 -1.340 -10.309 1.00 21.44 H new ATOM 0 HA ILE A 36 -18.050 -2.624 -8.467 1.00 30.15 H new ATOM 0 HB ILE A 36 -18.726 -1.318 -11.127 1.00 23.41 H new ATOM 0 HG12 ILE A 36 -17.354 0.282 -9.990 1.00 74.11 H new ATOM 0 HG13 ILE A 36 -19.023 0.788 -9.813 1.00 74.11 H new ATOM 0 HG21 ILE A 36 -20.850 -0.804 -9.991 1.00 3.32 H new ATOM 0 HG22 ILE A 36 -20.536 -2.555 -10.036 1.00 3.32 H new ATOM 0 HG23 ILE A 36 -20.270 -1.642 -8.532 1.00 3.32 H new ATOM 0 HD11 ILE A 36 -17.796 1.064 -7.715 1.00 34.10 H new ATOM 0 HD12 ILE A 36 -19.080 -0.154 -7.531 1.00 34.10 H new ATOM 0 HD13 ILE A 36 -17.386 -0.668 -7.712 1.00 34.10 H new ATOM 571 N ASN A 37 -17.743 -3.732 -11.580 1.00 4.41 N ATOM 572 CA ASN A 37 -17.951 -4.892 -12.438 1.00 62.04 C ATOM 573 C ASN A 37 -16.873 -4.973 -13.515 1.00 3.31 C ATOM 574 O ASN A 37 -16.015 -5.855 -13.485 1.00 63.14 O ATOM 575 CB ASN A 37 -19.334 -4.829 -13.090 1.00 21.15 C ATOM 576 CG ASN A 37 -19.800 -3.405 -13.321 1.00 2.42 C ATOM 577 OD1 ASN A 37 -19.482 -2.794 -14.341 1.00 41.41 O ATOM 578 ND2 ASN A 37 -20.558 -2.869 -12.371 1.00 5.40 N ATOM 0 H ASN A 37 -17.289 -2.943 -12.040 1.00 4.41 H new ATOM 0 HA ASN A 37 -17.889 -5.786 -11.818 1.00 62.04 H new ATOM 0 HB2 ASN A 37 -19.308 -5.359 -14.042 1.00 21.15 H new ATOM 0 HB3 ASN A 37 -20.055 -5.346 -12.457 1.00 21.15 H new ATOM 0 HD21 ASN A 37 -20.901 -1.914 -12.471 1.00 5.40 H new ATOM 0 HD22 ASN A 37 -20.797 -3.413 -11.542 1.00 5.40 H new ATOM 585 N LYS A 38 -16.923 -4.045 -14.465 1.00 25.11 N ATOM 586 CA LYS A 38 -15.950 -4.008 -15.551 1.00 31.32 C ATOM 587 C LYS A 38 -15.985 -2.662 -16.267 1.00 71.11 C ATOM 588 O LYS A 38 -14.945 -2.120 -16.640 1.00 42.25 O ATOM 589 CB LYS A 38 -16.226 -5.136 -16.548 1.00 23.00 C ATOM 590 CG LYS A 38 -17.666 -5.185 -17.028 1.00 42.12 C ATOM 591 CD LYS A 38 -17.895 -6.341 -17.987 1.00 30.42 C ATOM 592 CE LYS A 38 -18.866 -7.360 -17.409 1.00 51.24 C ATOM 593 NZ LYS A 38 -19.574 -8.119 -18.477 1.00 64.04 N ATOM 0 H LYS A 38 -17.627 -3.308 -14.505 1.00 25.11 H new ATOM 0 HA LYS A 38 -14.957 -4.145 -15.122 1.00 31.32 H new ATOM 0 HB2 LYS A 38 -15.569 -5.017 -17.409 1.00 23.00 H new ATOM 0 HB3 LYS A 38 -15.974 -6.089 -16.084 1.00 23.00 H new ATOM 0 HG2 LYS A 38 -18.333 -5.284 -16.171 1.00 42.12 H new ATOM 0 HG3 LYS A 38 -17.918 -4.246 -17.521 1.00 42.12 H new ATOM 0 HD2 LYS A 38 -18.285 -5.960 -18.931 1.00 30.42 H new ATOM 0 HD3 LYS A 38 -16.944 -6.827 -18.207 1.00 30.42 H new ATOM 0 HE2 LYS A 38 -18.324 -8.055 -16.768 1.00 51.24 H new ATOM 0 HE3 LYS A 38 -19.596 -6.850 -16.781 1.00 51.24 H new ATOM 0 HZ1 LYS A 38 -20.226 -8.803 -18.043 1.00 64.04 H new ATOM 0 HZ2 LYS A 38 -20.112 -7.459 -19.074 1.00 64.04 H new ATOM 0 HZ3 LYS A 38 -18.879 -8.626 -19.061 1.00 64.04 H new ATOM 607 N ASP A 39 -17.187 -2.128 -16.454 1.00 41.13 N ATOM 608 CA ASP A 39 -17.357 -0.843 -17.124 1.00 22.53 C ATOM 609 C ASP A 39 -17.450 0.291 -16.108 1.00 22.43 C ATOM 610 O ASP A 39 -17.245 1.457 -16.444 1.00 72.14 O ATOM 611 CB ASP A 39 -18.610 -0.863 -18.001 1.00 23.13 C ATOM 612 CG ASP A 39 -18.616 -2.024 -18.975 1.00 60.43 C ATOM 613 OD1 ASP A 39 -17.579 -2.253 -19.632 1.00 23.24 O ATOM 614 OD2 ASP A 39 -19.659 -2.704 -19.083 1.00 5.15 O ATOM 0 H ASP A 39 -18.058 -2.564 -16.151 1.00 41.13 H new ATOM 0 HA ASP A 39 -16.485 -0.671 -17.754 1.00 22.53 H new ATOM 0 HB2 ASP A 39 -19.494 -0.921 -17.366 1.00 23.13 H new ATOM 0 HB3 ASP A 39 -18.677 0.073 -18.555 1.00 23.13 H new ATOM 619 N TRP A 40 -17.760 -0.060 -14.865 1.00 15.41 N ATOM 620 CA TRP A 40 -17.882 0.930 -13.800 1.00 22.51 C ATOM 621 C TRP A 40 -16.925 0.617 -12.655 1.00 65.01 C ATOM 622 O TRP A 40 -16.779 -0.538 -12.252 1.00 42.12 O ATOM 623 CB TRP A 40 -19.320 0.976 -13.281 1.00 3.15 C ATOM 624 CG TRP A 40 -20.334 1.200 -14.361 1.00 34.24 C ATOM 625 CD1 TRP A 40 -20.156 1.898 -15.520 1.00 54.45 C ATOM 626 CD2 TRP A 40 -21.685 0.724 -14.380 1.00 3.24 C ATOM 627 NE1 TRP A 40 -21.315 1.886 -16.259 1.00 62.24 N ATOM 628 CE2 TRP A 40 -22.267 1.171 -15.582 1.00 10.32 C ATOM 629 CE3 TRP A 40 -22.458 -0.037 -13.499 1.00 61.44 C ATOM 630 CZ2 TRP A 40 -23.586 0.882 -15.923 1.00 4.14 C ATOM 631 CZ3 TRP A 40 -23.767 -0.323 -13.839 1.00 24.41 C ATOM 632 CH2 TRP A 40 -24.320 0.135 -15.042 1.00 64.31 C ATOM 0 H TRP A 40 -17.931 -1.021 -14.570 1.00 15.41 H new ATOM 0 HA TRP A 40 -17.621 1.905 -14.212 1.00 22.51 H new ATOM 0 HB2 TRP A 40 -19.544 0.040 -12.770 1.00 3.15 H new ATOM 0 HB3 TRP A 40 -19.406 1.771 -12.541 1.00 3.15 H new ATOM 0 HD1 TRP A 40 -19.239 2.388 -15.814 1.00 54.45 H new ATOM 0 HE1 TRP A 40 -21.445 2.337 -17.165 1.00 62.24 H new ATOM 0 HE3 TRP A 40 -22.040 -0.395 -12.570 1.00 61.44 H new ATOM 0 HZ2 TRP A 40 -24.014 1.235 -16.850 1.00 4.14 H new ATOM 0 HZ3 TRP A 40 -24.374 -0.910 -13.165 1.00 24.41 H new ATOM 0 HH2 TRP A 40 -25.346 -0.106 -15.279 1.00 64.31 H new ATOM 643 N LEU A 41 -16.274 1.652 -12.134 1.00 71.43 N ATOM 644 CA LEU A 41 -15.330 1.487 -11.034 1.00 71.14 C ATOM 645 C LEU A 41 -15.569 2.534 -9.951 1.00 23.52 C ATOM 646 O LEU A 41 -16.466 3.367 -10.067 1.00 51.22 O ATOM 647 CB LEU A 41 -13.893 1.588 -11.550 1.00 15.12 C ATOM 648 CG LEU A 41 -13.659 1.109 -12.983 1.00 32.12 C ATOM 649 CD1 LEU A 41 -12.220 1.365 -13.403 1.00 12.22 C ATOM 650 CD2 LEU A 41 -14.000 -0.368 -13.114 1.00 22.55 C ATOM 0 H LEU A 41 -16.383 2.614 -12.456 1.00 71.43 H new ATOM 0 HA LEU A 41 -15.484 0.499 -10.599 1.00 71.14 H new ATOM 0 HB2 LEU A 41 -13.575 2.628 -11.480 1.00 15.12 H new ATOM 0 HB3 LEU A 41 -13.248 1.012 -10.886 1.00 15.12 H new ATOM 0 HG LEU A 41 -14.315 1.673 -13.646 1.00 32.12 H new ATOM 0 HD11 LEU A 41 -12.072 1.018 -14.426 1.00 12.22 H new ATOM 0 HD12 LEU A 41 -12.010 2.433 -13.349 1.00 12.22 H new ATOM 0 HD13 LEU A 41 -11.545 0.828 -12.736 1.00 12.22 H new ATOM 0 HD21 LEU A 41 -13.827 -0.692 -14.140 1.00 22.55 H new ATOM 0 HD22 LEU A 41 -13.370 -0.948 -12.440 1.00 22.55 H new ATOM 0 HD23 LEU A 41 -15.047 -0.524 -12.856 1.00 22.55 H new ATOM 662 N GLU A 42 -14.757 2.484 -8.899 1.00 15.33 N ATOM 663 CA GLU A 42 -14.880 3.430 -7.795 1.00 74.43 C ATOM 664 C GLU A 42 -13.521 4.020 -7.431 1.00 32.13 C ATOM 665 O GLU A 42 -12.487 3.373 -7.594 1.00 15.15 O ATOM 666 CB GLU A 42 -15.495 2.744 -6.573 1.00 54.33 C ATOM 667 CG GLU A 42 -15.571 3.639 -5.347 1.00 64.34 C ATOM 668 CD GLU A 42 -16.845 3.432 -4.552 1.00 2.13 C ATOM 669 OE1 GLU A 42 -16.952 2.398 -3.861 1.00 32.34 O ATOM 670 OE2 GLU A 42 -17.735 4.306 -4.620 1.00 64.24 O ATOM 0 H GLU A 42 -14.008 1.800 -8.788 1.00 15.33 H new ATOM 0 HA GLU A 42 -15.535 4.241 -8.115 1.00 74.43 H new ATOM 0 HB2 GLU A 42 -16.499 2.402 -6.826 1.00 54.33 H new ATOM 0 HB3 GLU A 42 -14.908 1.858 -6.330 1.00 54.33 H new ATOM 0 HG2 GLU A 42 -14.711 3.444 -4.706 1.00 64.34 H new ATOM 0 HG3 GLU A 42 -15.507 4.682 -5.658 1.00 64.34 H new ATOM 677 N GLY A 43 -13.532 5.254 -6.937 1.00 2.44 N ATOM 678 CA GLY A 43 -12.295 5.912 -6.557 1.00 51.23 C ATOM 679 C GLY A 43 -12.528 7.287 -5.963 1.00 53.23 C ATOM 680 O GLY A 43 -13.605 7.865 -6.118 1.00 42.14 O ATOM 0 H GLY A 43 -14.375 5.810 -6.793 1.00 2.44 H new ATOM 0 HA2 GLY A 43 -11.765 5.292 -5.834 1.00 51.23 H new ATOM 0 HA3 GLY A 43 -11.651 6.002 -7.432 1.00 51.23 H new ATOM 684 N THR A 44 -11.518 7.814 -5.279 1.00 24.22 N ATOM 685 CA THR A 44 -11.618 9.128 -4.657 1.00 32.12 C ATOM 686 C THR A 44 -10.628 10.107 -5.277 1.00 10.00 C ATOM 687 O THR A 44 -9.418 9.883 -5.249 1.00 62.14 O ATOM 688 CB THR A 44 -11.365 9.052 -3.139 1.00 74.02 C ATOM 689 OG1 THR A 44 -11.358 10.369 -2.577 1.00 51.02 O ATOM 690 CG2 THR A 44 -10.042 8.362 -2.845 1.00 1.21 C ATOM 0 H THR A 44 -10.620 7.350 -5.142 1.00 24.22 H new ATOM 0 HA THR A 44 -12.634 9.483 -4.831 1.00 32.12 H new ATOM 0 HB THR A 44 -12.168 8.470 -2.688 1.00 74.02 H new ATOM 0 HG1 THR A 44 -11.198 10.312 -1.612 1.00 51.02 H new ATOM 0 HG21 THR A 44 -9.885 8.320 -1.767 1.00 1.21 H new ATOM 0 HG22 THR A 44 -10.062 7.350 -3.248 1.00 1.21 H new ATOM 0 HG23 THR A 44 -9.229 8.921 -3.308 1.00 1.21 H new ATOM 698 N VAL A 45 -11.150 11.195 -5.836 1.00 25.50 N ATOM 699 CA VAL A 45 -10.311 12.210 -6.462 1.00 24.42 C ATOM 700 C VAL A 45 -10.881 13.606 -6.241 1.00 41.23 C ATOM 701 O VAL A 45 -12.097 13.795 -6.223 1.00 53.32 O ATOM 702 CB VAL A 45 -10.162 11.961 -7.975 1.00 32.55 C ATOM 703 CG1 VAL A 45 -11.528 11.898 -8.642 1.00 44.41 C ATOM 704 CG2 VAL A 45 -9.298 13.039 -8.609 1.00 43.34 C ATOM 0 H VAL A 45 -12.150 11.396 -5.868 1.00 25.50 H new ATOM 0 HA VAL A 45 -9.330 12.143 -5.993 1.00 24.42 H new ATOM 0 HB VAL A 45 -9.668 11.000 -8.122 1.00 32.55 H new ATOM 0 HG11 VAL A 45 -11.403 11.722 -9.710 1.00 44.41 H new ATOM 0 HG12 VAL A 45 -12.109 11.086 -8.205 1.00 44.41 H new ATOM 0 HG13 VAL A 45 -12.052 12.842 -8.489 1.00 44.41 H new ATOM 0 HG21 VAL A 45 -9.203 12.848 -9.678 1.00 43.34 H new ATOM 0 HG22 VAL A 45 -9.761 14.014 -8.455 1.00 43.34 H new ATOM 0 HG23 VAL A 45 -8.309 13.030 -8.150 1.00 43.34 H new ATOM 714 N ARG A 46 -9.994 14.582 -6.075 1.00 31.15 N ATOM 715 CA ARG A 46 -10.409 15.962 -5.854 1.00 51.15 C ATOM 716 C ARG A 46 -11.188 16.094 -4.549 1.00 3.12 C ATOM 717 O ARG A 46 -11.935 17.052 -4.354 1.00 24.04 O ATOM 718 CB ARG A 46 -11.266 16.452 -7.023 1.00 61.13 C ATOM 719 CG ARG A 46 -10.547 17.430 -7.938 1.00 3.35 C ATOM 720 CD ARG A 46 -11.520 18.151 -8.858 1.00 25.30 C ATOM 721 NE ARG A 46 -11.668 19.560 -8.503 1.00 23.41 N ATOM 722 CZ ARG A 46 -12.646 20.333 -8.959 1.00 52.53 C ATOM 723 NH1 ARG A 46 -13.558 19.838 -9.784 1.00 33.41 N ATOM 724 NH2 ARG A 46 -12.714 21.606 -8.590 1.00 41.33 N ATOM 0 H ARG A 46 -8.984 14.442 -6.089 1.00 31.15 H new ATOM 0 HA ARG A 46 -9.512 16.578 -5.785 1.00 51.15 H new ATOM 0 HB2 ARG A 46 -11.592 15.592 -7.609 1.00 61.13 H new ATOM 0 HB3 ARG A 46 -12.164 16.929 -6.629 1.00 61.13 H new ATOM 0 HG2 ARG A 46 -10.004 18.160 -7.337 1.00 3.35 H new ATOM 0 HG3 ARG A 46 -9.808 16.895 -8.535 1.00 3.35 H new ATOM 0 HD2 ARG A 46 -11.172 18.071 -9.888 1.00 25.30 H new ATOM 0 HD3 ARG A 46 -12.493 17.662 -8.812 1.00 25.30 H new ATOM 0 HE ARG A 46 -10.983 19.972 -7.870 1.00 23.41 H new ATOM 0 HH11 ARG A 46 -13.510 18.860 -10.070 1.00 33.41 H new ATOM 0 HH12 ARG A 46 -14.308 20.435 -10.132 1.00 33.41 H new ATOM 0 HH21 ARG A 46 -12.014 21.991 -7.956 1.00 41.33 H new ATOM 0 HH22 ARG A 46 -13.466 22.199 -8.941 1.00 41.33 H new ATOM 738 N GLY A 47 -11.007 15.124 -3.657 1.00 54.14 N ATOM 739 CA GLY A 47 -11.700 15.150 -2.382 1.00 42.33 C ATOM 740 C GLY A 47 -13.124 14.642 -2.485 1.00 52.44 C ATOM 741 O GLY A 47 -13.936 14.864 -1.587 1.00 42.03 O ATOM 0 H GLY A 47 -10.393 14.321 -3.795 1.00 54.14 H new ATOM 0 HA2 GLY A 47 -11.152 14.542 -1.662 1.00 42.33 H new ATOM 0 HA3 GLY A 47 -11.708 16.170 -1.997 1.00 42.33 H new ATOM 745 N ALA A 48 -13.429 13.960 -3.584 1.00 55.44 N ATOM 746 CA ALA A 48 -14.766 13.420 -3.801 1.00 65.45 C ATOM 747 C ALA A 48 -14.711 11.926 -4.106 1.00 44.41 C ATOM 748 O ALA A 48 -13.808 11.456 -4.799 1.00 61.12 O ATOM 749 CB ALA A 48 -15.460 14.166 -4.931 1.00 63.44 C ATOM 0 H ALA A 48 -12.769 13.768 -4.338 1.00 55.44 H new ATOM 0 HA ALA A 48 -15.340 13.557 -2.884 1.00 65.45 H new ATOM 0 HB1 ALA A 48 -16.457 13.752 -5.082 1.00 63.44 H new ATOM 0 HB2 ALA A 48 -15.541 15.222 -4.674 1.00 63.44 H new ATOM 0 HB3 ALA A 48 -14.880 14.059 -5.848 1.00 63.44 H new ATOM 755 N THR A 49 -15.682 11.184 -3.583 1.00 42.22 N ATOM 756 CA THR A 49 -15.743 9.744 -3.798 1.00 22.03 C ATOM 757 C THR A 49 -16.965 9.362 -4.624 1.00 54.55 C ATOM 758 O THR A 49 -17.846 10.187 -4.865 1.00 41.24 O ATOM 759 CB THR A 49 -15.781 8.978 -2.462 1.00 13.23 C ATOM 760 OG1 THR A 49 -15.543 9.878 -1.374 1.00 3.40 O ATOM 761 CG2 THR A 49 -14.742 7.867 -2.445 1.00 12.34 C ATOM 0 H THR A 49 -16.437 11.557 -3.007 1.00 42.22 H new ATOM 0 HA THR A 49 -14.840 9.468 -4.342 1.00 22.03 H new ATOM 0 HB THR A 49 -16.769 8.531 -2.353 1.00 13.23 H new ATOM 0 HG1 THR A 49 -15.571 9.383 -0.528 1.00 3.40 H new ATOM 0 HG21 THR A 49 -14.788 7.340 -1.492 1.00 12.34 H new ATOM 0 HG22 THR A 49 -14.944 7.167 -3.256 1.00 12.34 H new ATOM 0 HG23 THR A 49 -13.748 8.296 -2.575 1.00 12.34 H new ATOM 769 N GLY A 50 -17.013 8.106 -5.057 1.00 35.15 N ATOM 770 CA GLY A 50 -18.133 7.637 -5.852 1.00 14.24 C ATOM 771 C GLY A 50 -17.706 6.685 -6.951 1.00 42.51 C ATOM 772 O GLY A 50 -16.557 6.244 -6.986 1.00 70.45 O ATOM 0 H GLY A 50 -16.296 7.405 -4.871 1.00 35.15 H new ATOM 0 HA2 GLY A 50 -18.852 7.138 -5.202 1.00 14.24 H new ATOM 0 HA3 GLY A 50 -18.644 8.492 -6.295 1.00 14.24 H new ATOM 776 N ILE A 51 -18.632 6.368 -7.850 1.00 22.34 N ATOM 777 CA ILE A 51 -18.344 5.462 -8.955 1.00 31.34 C ATOM 778 C ILE A 51 -18.216 6.222 -10.270 1.00 5.41 C ATOM 779 O ILE A 51 -18.755 7.319 -10.421 1.00 20.22 O ATOM 780 CB ILE A 51 -19.438 4.387 -9.101 1.00 3.12 C ATOM 781 CG1 ILE A 51 -20.759 5.028 -9.529 1.00 13.31 C ATOM 782 CG2 ILE A 51 -19.610 3.626 -7.795 1.00 15.22 C ATOM 783 CD1 ILE A 51 -21.272 4.524 -10.860 1.00 15.15 C ATOM 0 H ILE A 51 -19.587 6.725 -7.835 1.00 22.34 H new ATOM 0 HA ILE A 51 -17.396 4.976 -8.725 1.00 31.34 H new ATOM 0 HB ILE A 51 -19.132 3.680 -9.873 1.00 3.12 H new ATOM 0 HG12 ILE A 51 -21.511 4.837 -8.763 1.00 13.31 H new ATOM 0 HG13 ILE A 51 -20.628 6.109 -9.585 1.00 13.31 H new ATOM 0 HG21 ILE A 51 -20.386 2.870 -7.914 1.00 15.22 H new ATOM 0 HG22 ILE A 51 -18.670 3.142 -7.529 1.00 15.22 H new ATOM 0 HG23 ILE A 51 -19.897 4.320 -7.005 1.00 15.22 H new ATOM 0 HD11 ILE A 51 -22.212 5.022 -11.100 1.00 15.15 H new ATOM 0 HD12 ILE A 51 -20.539 4.739 -11.637 1.00 15.15 H new ATOM 0 HD13 ILE A 51 -21.436 3.448 -10.803 1.00 15.15 H new ATOM 795 N PHE A 52 -17.499 5.632 -11.221 1.00 3.33 N ATOM 796 CA PHE A 52 -17.300 6.254 -12.525 1.00 24.32 C ATOM 797 C PHE A 52 -16.989 5.203 -13.586 1.00 63.43 C ATOM 798 O PHE A 52 -16.450 4.134 -13.299 1.00 21.43 O ATOM 799 CB PHE A 52 -16.165 7.278 -12.457 1.00 61.15 C ATOM 800 CG PHE A 52 -14.844 6.684 -12.060 1.00 20.12 C ATOM 801 CD1 PHE A 52 -14.011 6.116 -13.010 1.00 4.11 C ATOM 802 CD2 PHE A 52 -14.436 6.693 -10.736 1.00 20.14 C ATOM 803 CE1 PHE A 52 -12.794 5.569 -12.647 1.00 71.24 C ATOM 804 CE2 PHE A 52 -13.221 6.148 -10.367 1.00 64.43 C ATOM 805 CZ PHE A 52 -12.399 5.584 -11.324 1.00 72.20 C ATOM 0 H PHE A 52 -17.046 4.724 -11.113 1.00 3.33 H new ATOM 0 HA PHE A 52 -18.223 6.763 -12.802 1.00 24.32 H new ATOM 0 HB2 PHE A 52 -16.061 7.758 -13.430 1.00 61.15 H new ATOM 0 HB3 PHE A 52 -16.432 8.058 -11.744 1.00 61.15 H new ATOM 0 HD1 PHE A 52 -14.316 6.100 -14.046 1.00 4.11 H new ATOM 0 HD2 PHE A 52 -15.075 7.131 -9.984 1.00 20.14 H new ATOM 0 HE1 PHE A 52 -12.153 5.130 -13.398 1.00 71.24 H new ATOM 0 HE2 PHE A 52 -12.914 6.163 -9.332 1.00 64.43 H new ATOM 0 HZ PHE A 52 -11.450 5.156 -11.038 1.00 72.20 H new ATOM 815 N PRO A 53 -17.337 5.512 -14.844 1.00 63.13 N ATOM 816 CA PRO A 53 -17.105 4.608 -15.975 1.00 21.13 C ATOM 817 C PRO A 53 -15.624 4.471 -16.314 1.00 15.33 C ATOM 818 O PRO A 53 -14.917 5.468 -16.466 1.00 13.44 O ATOM 819 CB PRO A 53 -17.857 5.280 -17.126 1.00 74.41 C ATOM 820 CG PRO A 53 -17.899 6.723 -16.761 1.00 4.24 C ATOM 821 CD PRO A 53 -17.983 6.768 -15.260 1.00 4.21 C ATOM 0 HA PRO A 53 -17.442 3.594 -15.762 1.00 21.13 H new ATOM 0 HB2 PRO A 53 -17.345 5.127 -18.076 1.00 74.41 H new ATOM 0 HB3 PRO A 53 -18.861 4.870 -17.235 1.00 74.41 H new ATOM 0 HG2 PRO A 53 -17.009 7.242 -17.118 1.00 4.24 H new ATOM 0 HG3 PRO A 53 -18.759 7.216 -17.215 1.00 4.24 H new ATOM 0 HD2 PRO A 53 -17.467 7.639 -14.855 1.00 4.21 H new ATOM 0 HD3 PRO A 53 -19.016 6.821 -14.917 1.00 4.21 H new ATOM 829 N LEU A 54 -15.161 3.232 -16.432 1.00 33.14 N ATOM 830 CA LEU A 54 -13.764 2.965 -16.754 1.00 22.23 C ATOM 831 C LEU A 54 -13.434 3.425 -18.170 1.00 22.10 C ATOM 832 O LEU A 54 -12.267 3.599 -18.521 1.00 22.03 O ATOM 833 CB LEU A 54 -13.462 1.472 -16.607 1.00 14.31 C ATOM 834 CG LEU A 54 -12.044 1.034 -16.975 1.00 54.54 C ATOM 835 CD1 LEU A 54 -11.625 -0.169 -16.145 1.00 44.24 C ATOM 836 CD2 LEU A 54 -11.953 0.718 -18.461 1.00 71.00 C ATOM 0 H LEU A 54 -15.733 2.396 -16.310 1.00 33.14 H new ATOM 0 HA LEU A 54 -13.143 3.525 -16.056 1.00 22.23 H new ATOM 0 HB2 LEU A 54 -13.653 1.183 -15.573 1.00 14.31 H new ATOM 0 HB3 LEU A 54 -14.165 0.917 -17.228 1.00 14.31 H new ATOM 0 HG LEU A 54 -11.362 1.855 -16.756 1.00 54.54 H new ATOM 0 HD11 LEU A 54 -10.613 -0.467 -16.421 1.00 44.24 H new ATOM 0 HD12 LEU A 54 -11.651 0.092 -15.087 1.00 44.24 H new ATOM 0 HD13 LEU A 54 -12.310 -0.996 -16.332 1.00 44.24 H new ATOM 0 HD21 LEU A 54 -10.937 0.408 -18.706 1.00 71.00 H new ATOM 0 HD22 LEU A 54 -12.647 -0.087 -18.705 1.00 71.00 H new ATOM 0 HD23 LEU A 54 -12.210 1.606 -19.038 1.00 71.00 H new ATOM 848 N SER A 55 -14.470 3.622 -18.979 1.00 43.31 N ATOM 849 CA SER A 55 -14.290 4.061 -20.358 1.00 41.00 C ATOM 850 C SER A 55 -13.961 5.550 -20.416 1.00 32.31 C ATOM 851 O SER A 55 -13.672 6.092 -21.483 1.00 1.45 O ATOM 852 CB SER A 55 -15.551 3.773 -21.176 1.00 3.55 C ATOM 853 OG SER A 55 -15.224 3.239 -22.447 1.00 5.43 O ATOM 0 H SER A 55 -15.442 3.485 -18.704 1.00 43.31 H new ATOM 0 HA SER A 55 -13.454 3.506 -20.784 1.00 41.00 H new ATOM 0 HB2 SER A 55 -16.186 3.071 -20.636 1.00 3.55 H new ATOM 0 HB3 SER A 55 -16.125 4.691 -21.301 1.00 3.55 H new ATOM 0 HG SER A 55 -16.047 3.062 -22.949 1.00 5.43 H new ATOM 859 N PHE A 56 -14.008 6.205 -19.261 1.00 21.13 N ATOM 860 CA PHE A 56 -13.716 7.631 -19.178 1.00 54.34 C ATOM 861 C PHE A 56 -12.462 7.883 -18.347 1.00 31.05 C ATOM 862 O PHE A 56 -12.264 8.976 -17.816 1.00 14.02 O ATOM 863 CB PHE A 56 -14.904 8.382 -18.572 1.00 24.04 C ATOM 864 CG PHE A 56 -16.099 8.445 -19.478 1.00 54.41 C ATOM 865 CD1 PHE A 56 -16.803 7.296 -19.799 1.00 55.25 C ATOM 866 CD2 PHE A 56 -16.519 9.654 -20.009 1.00 51.34 C ATOM 867 CE1 PHE A 56 -17.905 7.351 -20.633 1.00 44.02 C ATOM 868 CE2 PHE A 56 -17.620 9.715 -20.843 1.00 43.42 C ATOM 869 CZ PHE A 56 -18.313 8.562 -21.156 1.00 45.35 C ATOM 0 H PHE A 56 -14.246 5.771 -18.369 1.00 21.13 H new ATOM 0 HA PHE A 56 -13.540 7.999 -20.189 1.00 54.34 H new ATOM 0 HB2 PHE A 56 -15.191 7.898 -17.638 1.00 24.04 H new ATOM 0 HB3 PHE A 56 -14.593 9.397 -18.323 1.00 24.04 H new ATOM 0 HD1 PHE A 56 -16.488 6.346 -19.393 1.00 55.25 H new ATOM 0 HD2 PHE A 56 -15.980 10.559 -19.769 1.00 51.34 H new ATOM 0 HE1 PHE A 56 -18.446 6.448 -20.875 1.00 44.02 H new ATOM 0 HE2 PHE A 56 -17.938 10.664 -21.250 1.00 43.42 H new ATOM 0 HZ PHE A 56 -19.172 8.608 -21.809 1.00 45.35 H new ATOM 879 N VAL A 57 -11.617 6.862 -18.237 1.00 14.52 N ATOM 880 CA VAL A 57 -10.382 6.972 -17.471 1.00 21.35 C ATOM 881 C VAL A 57 -9.309 6.039 -18.021 1.00 72.04 C ATOM 882 O VAL A 57 -9.610 4.953 -18.519 1.00 1.54 O ATOM 883 CB VAL A 57 -10.614 6.648 -15.983 1.00 23.43 C ATOM 884 CG1 VAL A 57 -11.477 7.717 -15.331 1.00 40.12 C ATOM 885 CG2 VAL A 57 -11.247 5.273 -15.830 1.00 13.12 C ATOM 0 H VAL A 57 -11.766 5.950 -18.669 1.00 14.52 H new ATOM 0 HA VAL A 57 -10.044 8.004 -17.563 1.00 21.35 H new ATOM 0 HB VAL A 57 -9.649 6.637 -15.477 1.00 23.43 H new ATOM 0 HG11 VAL A 57 -11.630 7.470 -14.280 1.00 40.12 H new ATOM 0 HG12 VAL A 57 -10.979 8.684 -15.408 1.00 40.12 H new ATOM 0 HG13 VAL A 57 -12.442 7.764 -15.836 1.00 40.12 H new ATOM 0 HG21 VAL A 57 -11.404 5.060 -14.773 1.00 13.12 H new ATOM 0 HG22 VAL A 57 -12.205 5.253 -16.350 1.00 13.12 H new ATOM 0 HG23 VAL A 57 -10.586 4.519 -16.258 1.00 13.12 H new ATOM 895 N LYS A 58 -8.055 6.469 -17.930 1.00 33.25 N ATOM 896 CA LYS A 58 -6.935 5.672 -18.417 1.00 13.43 C ATOM 897 C LYS A 58 -6.283 4.896 -17.277 1.00 53.01 C ATOM 898 O LYS A 58 -5.468 5.439 -16.531 1.00 30.12 O ATOM 899 CB LYS A 58 -5.899 6.572 -19.093 1.00 41.52 C ATOM 900 CG LYS A 58 -4.667 5.826 -19.575 1.00 3.14 C ATOM 901 CD LYS A 58 -4.976 4.963 -20.786 1.00 63.32 C ATOM 902 CE LYS A 58 -5.290 3.530 -20.384 1.00 54.00 C ATOM 903 NZ LYS A 58 -4.799 2.550 -21.392 1.00 3.21 N ATOM 0 H LYS A 58 -7.789 7.366 -17.523 1.00 33.25 H new ATOM 0 HA LYS A 58 -7.319 4.958 -19.146 1.00 13.43 H new ATOM 0 HB2 LYS A 58 -6.364 7.074 -19.941 1.00 41.52 H new ATOM 0 HB3 LYS A 58 -5.592 7.348 -18.392 1.00 41.52 H new ATOM 0 HG2 LYS A 58 -3.883 6.540 -19.827 1.00 3.14 H new ATOM 0 HG3 LYS A 58 -4.281 5.200 -18.770 1.00 3.14 H new ATOM 0 HD2 LYS A 58 -5.823 5.384 -21.327 1.00 63.32 H new ATOM 0 HD3 LYS A 58 -4.125 4.973 -21.468 1.00 63.32 H new ATOM 0 HE2 LYS A 58 -4.834 3.316 -19.417 1.00 54.00 H new ATOM 0 HE3 LYS A 58 -6.367 3.415 -20.261 1.00 54.00 H new ATOM 0 HZ1 LYS A 58 -5.033 1.585 -21.081 1.00 3.21 H new ATOM 0 HZ2 LYS A 58 -5.253 2.738 -22.309 1.00 3.21 H new ATOM 0 HZ3 LYS A 58 -3.768 2.641 -21.491 1.00 3.21 H new ATOM 917 N ILE A 59 -6.646 3.624 -17.150 1.00 14.20 N ATOM 918 CA ILE A 59 -6.094 2.774 -16.103 1.00 32.31 C ATOM 919 C ILE A 59 -4.574 2.697 -16.201 1.00 54.23 C ATOM 920 O ILE A 59 -4.030 1.922 -16.989 1.00 33.12 O ATOM 921 CB ILE A 59 -6.674 1.349 -16.171 1.00 71.51 C ATOM 922 CG1 ILE A 59 -8.200 1.400 -16.277 1.00 23.22 C ATOM 923 CG2 ILE A 59 -6.249 0.545 -14.951 1.00 70.23 C ATOM 924 CD1 ILE A 59 -8.854 2.214 -15.183 1.00 32.44 C ATOM 0 H ILE A 59 -7.320 3.160 -17.759 1.00 14.20 H new ATOM 0 HA ILE A 59 -6.372 3.226 -15.151 1.00 32.31 H new ATOM 0 HB ILE A 59 -6.283 0.856 -17.061 1.00 71.51 H new ATOM 0 HG12 ILE A 59 -8.475 1.819 -17.245 1.00 23.22 H new ATOM 0 HG13 ILE A 59 -8.593 0.384 -16.247 1.00 23.22 H new ATOM 0 HG21 ILE A 59 -6.667 -0.460 -15.014 1.00 70.23 H new ATOM 0 HG22 ILE A 59 -5.161 0.484 -14.916 1.00 70.23 H new ATOM 0 HG23 ILE A 59 -6.614 1.034 -14.048 1.00 70.23 H new ATOM 0 HD11 ILE A 59 -9.935 2.207 -15.321 1.00 32.44 H new ATOM 0 HD12 ILE A 59 -8.609 1.783 -14.212 1.00 32.44 H new ATOM 0 HD13 ILE A 59 -8.490 3.240 -15.226 1.00 32.44 H new ATOM 936 N LEU A 60 -3.894 3.505 -15.396 1.00 3.02 N ATOM 937 CA LEU A 60 -2.435 3.528 -15.390 1.00 11.21 C ATOM 938 C LEU A 60 -1.877 2.427 -14.494 1.00 4.30 C ATOM 939 O LEU A 60 -0.678 2.145 -14.513 1.00 34.55 O ATOM 940 CB LEU A 60 -1.929 4.892 -14.917 1.00 40.11 C ATOM 941 CG LEU A 60 -2.684 6.110 -15.451 1.00 1.02 C ATOM 942 CD1 LEU A 60 -2.112 7.392 -14.865 1.00 21.53 C ATOM 943 CD2 LEU A 60 -2.630 6.146 -16.971 1.00 55.51 C ATOM 0 H LEU A 60 -4.329 4.153 -14.739 1.00 3.02 H new ATOM 0 HA LEU A 60 -2.089 3.352 -16.409 1.00 11.21 H new ATOM 0 HB2 LEU A 60 -1.968 4.914 -13.828 1.00 40.11 H new ATOM 0 HB3 LEU A 60 -0.881 4.986 -15.200 1.00 40.11 H new ATOM 0 HG LEU A 60 -3.727 6.029 -15.146 1.00 1.02 H new ATOM 0 HD11 LEU A 60 -2.662 8.248 -15.256 1.00 21.53 H new ATOM 0 HD12 LEU A 60 -2.203 7.368 -13.779 1.00 21.53 H new ATOM 0 HD13 LEU A 60 -1.061 7.480 -15.139 1.00 21.53 H new ATOM 0 HD21 LEU A 60 -3.172 7.019 -17.334 1.00 55.51 H new ATOM 0 HD22 LEU A 60 -1.591 6.203 -17.297 1.00 55.51 H new ATOM 0 HD23 LEU A 60 -3.088 5.242 -17.373 1.00 55.51 H new ATOM 955 N LYS A 61 -2.753 1.807 -13.711 1.00 51.13 N ATOM 956 CA LYS A 61 -2.350 0.734 -12.810 1.00 42.12 C ATOM 957 C LYS A 61 -3.563 -0.050 -12.321 1.00 30.22 C ATOM 958 O LYS A 61 -4.542 0.531 -11.853 1.00 12.04 O ATOM 959 CB LYS A 61 -1.582 1.305 -11.616 1.00 34.14 C ATOM 960 CG LYS A 61 -1.088 0.244 -10.647 1.00 40.32 C ATOM 961 CD LYS A 61 -0.069 -0.675 -11.300 1.00 2.35 C ATOM 962 CE LYS A 61 0.280 -1.849 -10.398 1.00 60.12 C ATOM 963 NZ LYS A 61 0.745 -3.029 -11.179 1.00 54.12 N ATOM 0 H LYS A 61 -3.748 2.030 -13.682 1.00 51.13 H new ATOM 0 HA LYS A 61 -1.699 0.055 -13.361 1.00 42.12 H new ATOM 0 HB2 LYS A 61 -0.729 1.876 -11.983 1.00 34.14 H new ATOM 0 HB3 LYS A 61 -2.226 2.003 -11.081 1.00 34.14 H new ATOM 0 HG2 LYS A 61 -0.641 0.724 -9.777 1.00 40.32 H new ATOM 0 HG3 LYS A 61 -1.933 -0.344 -10.288 1.00 40.32 H new ATOM 0 HD2 LYS A 61 -0.465 -1.046 -12.245 1.00 2.35 H new ATOM 0 HD3 LYS A 61 0.835 -0.112 -11.532 1.00 2.35 H new ATOM 0 HE2 LYS A 61 1.058 -1.549 -9.696 1.00 60.12 H new ATOM 0 HE3 LYS A 61 -0.593 -2.126 -9.807 1.00 60.12 H new ATOM 0 HZ1 LYS A 61 0.973 -3.808 -10.529 1.00 54.12 H new ATOM 0 HZ2 LYS A 61 -0.006 -3.331 -11.831 1.00 54.12 H new ATOM 0 HZ3 LYS A 61 1.593 -2.773 -11.723 1.00 54.12 H new ATOM 977 N ASP A 62 -3.491 -1.372 -12.431 1.00 22.12 N ATOM 978 CA ASP A 62 -4.582 -2.236 -11.997 1.00 35.22 C ATOM 979 C ASP A 62 -4.556 -2.427 -10.484 1.00 23.24 C ATOM 980 O ASP A 62 -3.552 -2.143 -9.829 1.00 53.11 O ATOM 981 CB ASP A 62 -4.496 -3.594 -12.696 1.00 43.43 C ATOM 982 CG ASP A 62 -5.856 -4.237 -12.882 1.00 23.33 C ATOM 983 OD1 ASP A 62 -6.568 -3.857 -13.835 1.00 4.22 O ATOM 984 OD2 ASP A 62 -6.208 -5.122 -12.074 1.00 62.33 O ATOM 0 H ASP A 62 -2.688 -1.869 -12.817 1.00 22.12 H new ATOM 0 HA ASP A 62 -5.522 -1.755 -12.268 1.00 35.22 H new ATOM 0 HB2 ASP A 62 -4.020 -3.469 -13.669 1.00 43.43 H new ATOM 0 HB3 ASP A 62 -3.859 -4.260 -12.113 1.00 43.43 H new ATOM 989 N PHE A 63 -5.665 -2.909 -9.933 1.00 71.44 N ATOM 990 CA PHE A 63 -5.770 -3.136 -8.497 1.00 22.42 C ATOM 991 C PHE A 63 -4.837 -4.260 -8.054 1.00 74.44 C ATOM 992 O PHE A 63 -4.403 -5.091 -8.853 1.00 3.15 O ATOM 993 CB PHE A 63 -7.212 -3.476 -8.116 1.00 55.24 C ATOM 994 CG PHE A 63 -8.078 -2.266 -7.908 1.00 2.01 C ATOM 995 CD1 PHE A 63 -8.685 -1.639 -8.984 1.00 15.13 C ATOM 996 CD2 PHE A 63 -8.284 -1.756 -6.636 1.00 72.22 C ATOM 997 CE1 PHE A 63 -9.482 -0.525 -8.795 1.00 24.14 C ATOM 998 CE2 PHE A 63 -9.080 -0.643 -6.441 1.00 3.21 C ATOM 999 CZ PHE A 63 -9.680 -0.027 -7.522 1.00 21.24 C ATOM 0 H PHE A 63 -6.504 -3.150 -10.460 1.00 71.44 H new ATOM 0 HA PHE A 63 -5.474 -2.219 -7.988 1.00 22.42 H new ATOM 0 HB2 PHE A 63 -7.650 -4.096 -8.898 1.00 55.24 H new ATOM 0 HB3 PHE A 63 -7.207 -4.071 -7.203 1.00 55.24 H new ATOM 0 HD1 PHE A 63 -8.534 -2.025 -9.981 1.00 15.13 H new ATOM 0 HD2 PHE A 63 -7.817 -2.234 -5.787 1.00 72.22 H new ATOM 0 HE1 PHE A 63 -9.949 -0.045 -9.642 1.00 24.14 H new ATOM 0 HE2 PHE A 63 -9.233 -0.255 -5.445 1.00 3.21 H new ATOM 0 HZ PHE A 63 -10.303 0.842 -7.372 1.00 21.24 H new ATOM 1009 N PRO A 64 -4.522 -4.288 -6.751 1.00 63.11 N ATOM 1010 CA PRO A 64 -3.638 -5.304 -6.172 1.00 31.30 C ATOM 1011 C PRO A 64 -4.283 -6.686 -6.146 1.00 3.04 C ATOM 1012 O PRO A 64 -4.827 -7.107 -5.126 1.00 11.14 O ATOM 1013 CB PRO A 64 -3.401 -4.798 -4.747 1.00 43.32 C ATOM 1014 CG PRO A 64 -4.593 -3.959 -4.440 1.00 30.12 C ATOM 1015 CD PRO A 64 -5.004 -3.330 -5.742 1.00 44.32 C ATOM 0 HA PRO A 64 -2.724 -5.427 -6.753 1.00 31.30 H new ATOM 0 HB2 PRO A 64 -3.307 -5.625 -4.044 1.00 43.32 H new ATOM 0 HB3 PRO A 64 -2.481 -4.218 -4.681 1.00 43.32 H new ATOM 0 HG2 PRO A 64 -5.400 -4.564 -4.027 1.00 30.12 H new ATOM 0 HG3 PRO A 64 -4.354 -3.198 -3.697 1.00 30.12 H new ATOM 0 HD2 PRO A 64 -6.084 -3.195 -5.800 1.00 44.32 H new ATOM 0 HD3 PRO A 64 -4.552 -2.347 -5.873 1.00 44.32 H new ATOM 1023 N GLU A 65 -4.217 -7.387 -7.273 1.00 44.45 N ATOM 1024 CA GLU A 65 -4.795 -8.721 -7.378 1.00 61.10 C ATOM 1025 C GLU A 65 -4.168 -9.667 -6.357 1.00 55.14 C ATOM 1026 O GLU A 65 -3.056 -10.157 -6.551 1.00 54.52 O ATOM 1027 CB GLU A 65 -4.600 -9.276 -8.791 1.00 34.14 C ATOM 1028 CG GLU A 65 -3.173 -9.162 -9.298 1.00 62.51 C ATOM 1029 CD GLU A 65 -3.070 -8.348 -10.573 1.00 2.01 C ATOM 1030 OE1 GLU A 65 -3.517 -8.840 -11.630 1.00 15.23 O ATOM 1031 OE2 GLU A 65 -2.541 -7.218 -10.513 1.00 55.21 O ATOM 0 H GLU A 65 -3.769 -7.053 -8.126 1.00 44.45 H new ATOM 0 HA GLU A 65 -5.862 -8.644 -7.170 1.00 61.10 H new ATOM 0 HB2 GLU A 65 -4.899 -10.324 -8.805 1.00 34.14 H new ATOM 0 HB3 GLU A 65 -5.263 -8.746 -9.475 1.00 34.14 H new ATOM 0 HG2 GLU A 65 -2.553 -8.703 -8.528 1.00 62.51 H new ATOM 0 HG3 GLU A 65 -2.774 -10.161 -9.476 1.00 62.51 H new