USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 64 THR OG1 : rot 68:sc= 0.392 USER MOD Set 1.2: A 67 SER OG : rot -30:sc= -1.88 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 17 MET CE :methyl 147:sc= -0.198 (180deg=-1.07) USER MOD Single : A 18 HIS : no HD1:sc= -1.99! C(o=-2!,f=-2.1!) USER MOD Single : A 19 THR OG1 : rot -101:sc= 1.01 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 159:sc= -1.17 (180deg=-1.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.99 USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= 1.88 (180deg=1.03) USER MOD Single : A 38 MET CE :methyl -136:sc= -2.49 (180deg=-5.63!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.17! C(o=-1.2!,f=-12!) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0221 F(o=-0.7,f=-0.022) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 66 HIS : no HE2:sc= -2.75! C(o=-2.7!,f=-10!) USER MOD Single : A 68 HIS : +bothHN:sc= -4.67! C(o=-4.7!,f=-21!) USER MOD Single : A 72 GLN : amide:sc= -1.04! C(o=-1!,f=-11!) USER MOD Single : A 73 ASN : amide:sc= -1.16! C(o=-1.2!,f=-16!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -170:sc= 1.02 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 5 7.646 -6.834 0.821 1.00 70.34 N ATOM 66 CA ASP A 5 8.763 -7.596 1.331 1.00 52.01 C ATOM 67 C ASP A 5 8.352 -9.031 1.453 1.00 14.04 C ATOM 68 O ASP A 5 7.157 -9.351 1.337 1.00 34.30 O ATOM 69 CB ASP A 5 9.200 -7.068 2.696 1.00 72.04 C ATOM 70 CG ASP A 5 9.874 -5.719 2.563 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.471 -5.461 1.530 1.00 71.24 O ATOM 72 OD2 ASP A 5 9.782 -4.944 3.489 1.00 63.22 O ATOM 0 HA ASP A 5 9.604 -7.502 0.644 1.00 52.01 H new ATOM 0 HB2 ASP A 5 8.334 -6.983 3.352 1.00 72.04 H new ATOM 0 HB3 ASP A 5 9.884 -7.777 3.162 1.00 72.04 H new ATOM 77 N ILE A 6 9.294 -9.883 1.756 1.00 61.21 N ATOM 78 CA ILE A 6 8.998 -11.274 1.955 1.00 73.32 C ATOM 79 C ILE A 6 9.474 -11.706 3.320 1.00 11.45 C ATOM 80 O ILE A 6 10.317 -11.043 3.939 1.00 13.11 O ATOM 81 CB ILE A 6 9.643 -12.135 0.861 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.167 -12.020 0.923 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.169 -11.647 -0.511 1.00 61.31 C ATOM 84 CD1 ILE A 6 11.777 -13.046 -0.030 1.00 10.12 C ATOM 0 H ILE A 6 10.277 -9.636 1.871 1.00 61.21 H new ATOM 0 HA ILE A 6 7.919 -11.413 1.894 1.00 73.32 H new ATOM 0 HB ILE A 6 9.353 -13.174 1.016 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.481 -11.014 0.646 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.518 -12.194 1.940 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.625 -12.256 -1.291 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.084 -11.731 -0.572 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.460 -10.605 -0.647 1.00 61.31 H new ATOM 0 HD11 ILE A 6 12.864 -12.974 0.005 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.470 -14.048 0.269 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.433 -12.849 -1.045 1.00 10.12 H new ATOM 96 N ARG A 7 8.898 -12.781 3.804 1.00 43.32 N ATOM 97 CA ARG A 7 9.203 -13.280 5.125 1.00 44.44 C ATOM 98 C ARG A 7 10.220 -14.394 5.028 1.00 14.40 C ATOM 99 O ARG A 7 9.981 -15.397 4.348 1.00 73.14 O ATOM 100 CB ARG A 7 7.935 -13.826 5.784 1.00 13.53 C ATOM 101 CG ARG A 7 6.866 -12.728 5.871 1.00 74.33 C ATOM 102 CD ARG A 7 5.623 -13.301 6.550 1.00 62.21 C ATOM 103 NE ARG A 7 5.009 -14.334 5.714 1.00 62.41 N ATOM 104 CZ ARG A 7 4.031 -15.107 6.167 1.00 20.20 C ATOM 105 NH1 ARG A 7 3.604 -14.960 7.387 1.00 41.23 N ATOM 106 NH2 ARG A 7 3.510 -16.009 5.389 1.00 33.44 N ATOM 0 H ARG A 7 8.207 -13.333 3.296 1.00 43.32 H new ATOM 0 HA ARG A 7 9.604 -12.462 5.724 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.553 -14.670 5.210 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.167 -14.198 6.782 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.245 -11.876 6.436 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.617 -12.364 4.874 1.00 74.33 H new ATOM 0 HD2 ARG A 7 5.893 -13.722 7.519 1.00 62.21 H new ATOM 0 HD3 ARG A 7 4.904 -12.503 6.738 1.00 62.21 H new ATOM 0 HE ARG A 7 5.342 -14.463 4.758 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.021 -14.252 7.992 1.00 41.23 H new ATOM 0 HH12 ARG A 7 2.852 -15.553 7.739 1.00 41.23 H new ATOM 0 HH21 ARG A 7 3.854 -16.120 4.435 1.00 33.44 H new ATOM 0 HH22 ARG A 7 2.758 -16.606 5.733 1.00 33.44 H new ATOM 120 N LEU A 8 11.303 -14.243 5.756 1.00 14.31 N ATOM 121 CA LEU A 8 12.348 -15.238 5.832 1.00 32.33 C ATOM 122 C LEU A 8 12.502 -15.700 7.261 1.00 71.45 C ATOM 123 O LEU A 8 12.618 -14.877 8.179 1.00 32.14 O ATOM 124 CB LEU A 8 13.679 -14.652 5.332 1.00 51.41 C ATOM 125 CG LEU A 8 14.827 -15.645 5.594 1.00 41.23 C ATOM 126 CD1 LEU A 8 14.615 -16.921 4.781 1.00 43.15 C ATOM 127 CD2 LEU A 8 16.163 -15.008 5.204 1.00 70.54 C ATOM 0 H LEU A 8 11.485 -13.413 6.320 1.00 14.31 H new ATOM 0 HA LEU A 8 12.077 -16.085 5.201 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.612 -14.435 4.266 1.00 51.41 H new ATOM 0 HB3 LEU A 8 13.882 -13.708 5.837 1.00 51.41 H new ATOM 0 HG LEU A 8 14.839 -15.895 6.655 1.00 41.23 H new ATOM 0 HD11 LEU A 8 15.433 -17.616 4.974 1.00 43.15 H new ATOM 0 HD12 LEU A 8 13.671 -17.383 5.069 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.590 -16.676 3.719 1.00 43.15 H new ATOM 0 HD21 LEU A 8 16.971 -15.715 5.391 1.00 70.54 H new ATOM 0 HD22 LEU A 8 16.147 -14.748 4.146 1.00 70.54 H new ATOM 0 HD23 LEU A 8 16.324 -14.108 5.797 1.00 70.54 H new ATOM 139 N TRP A 9 12.559 -16.994 7.456 1.00 31.14 N ATOM 140 CA TRP A 9 12.780 -17.537 8.784 1.00 63.14 C ATOM 141 C TRP A 9 14.209 -17.997 8.898 1.00 61.44 C ATOM 142 O TRP A 9 14.735 -18.619 7.984 1.00 73.50 O ATOM 143 CB TRP A 9 11.881 -18.737 9.027 1.00 41.11 C ATOM 144 CG TRP A 9 10.495 -18.469 8.559 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.829 -17.300 8.672 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.609 -19.384 7.892 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.567 -17.460 8.131 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.389 -18.733 7.630 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.753 -20.714 7.497 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.338 -19.388 6.995 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.713 -21.378 6.859 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.501 -20.720 6.606 1.00 21.20 C ATOM 0 H TRP A 9 12.457 -17.692 6.720 1.00 31.14 H new ATOM 0 HA TRP A 9 12.559 -16.760 9.516 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.282 -19.607 8.507 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.869 -18.978 10.090 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.217 -16.393 9.111 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.857 -16.729 8.105 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.681 -21.232 7.689 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.408 -18.873 6.805 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.839 -22.407 6.556 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.695 -21.242 6.111 1.00 21.20 H new ATOM 163 N VAL A 10 14.819 -17.764 10.020 1.00 73.13 N ATOM 164 CA VAL A 10 16.163 -18.260 10.225 1.00 21.41 C ATOM 165 C VAL A 10 16.178 -19.236 11.379 1.00 54.12 C ATOM 166 O VAL A 10 15.806 -18.885 12.508 1.00 12.11 O ATOM 167 CB VAL A 10 17.136 -17.104 10.484 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.568 -17.537 10.135 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.742 -15.903 9.623 1.00 2.31 C ATOM 0 H VAL A 10 14.423 -17.243 10.802 1.00 73.13 H new ATOM 0 HA VAL A 10 16.488 -18.776 9.321 1.00 21.41 H new ATOM 0 HB VAL A 10 17.092 -16.829 11.538 1.00 41.13 H new ATOM 0 HG11 VAL A 10 19.254 -16.710 10.322 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.851 -18.390 10.752 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.617 -17.819 9.083 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.434 -15.081 9.807 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.781 -16.182 8.570 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.730 -15.589 9.878 1.00 2.31 H new ATOM 179 N SER A 11 16.683 -20.426 11.121 1.00 71.44 N ATOM 180 CA SER A 11 16.860 -21.403 12.161 1.00 32.15 C ATOM 181 C SER A 11 18.194 -21.135 12.810 1.00 55.14 C ATOM 182 O SER A 11 19.208 -21.008 12.115 1.00 33.30 O ATOM 183 CB SER A 11 16.824 -22.817 11.575 1.00 73.42 C ATOM 184 OG SER A 11 15.800 -22.893 10.580 1.00 53.13 O ATOM 0 H SER A 11 16.977 -20.734 10.194 1.00 71.44 H new ATOM 0 HA SER A 11 16.058 -21.331 12.895 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.791 -23.066 11.137 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.634 -23.545 12.364 1.00 73.42 H new ATOM 0 HG SER A 11 15.777 -23.797 10.203 1.00 53.13 H new ATOM 190 N VAL A 12 18.174 -20.909 14.098 1.00 44.50 N ATOM 191 CA VAL A 12 19.353 -20.492 14.815 1.00 65.33 C ATOM 192 C VAL A 12 19.774 -21.567 15.789 1.00 31.54 C ATOM 193 O VAL A 12 18.980 -21.996 16.624 1.00 45.10 O ATOM 194 CB VAL A 12 19.032 -19.182 15.569 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.121 -18.863 16.593 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.914 -18.023 14.573 1.00 44.14 C ATOM 0 H VAL A 12 17.342 -21.008 14.679 1.00 44.50 H new ATOM 0 HA VAL A 12 20.173 -20.324 14.117 1.00 65.33 H new ATOM 0 HB VAL A 12 18.086 -19.313 16.094 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.873 -17.937 17.111 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.190 -19.676 17.316 1.00 53.10 H new ATOM 0 HG13 VAL A 12 21.078 -18.749 16.083 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.688 -17.102 15.111 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.856 -17.907 14.036 1.00 44.14 H new ATOM 0 HG23 VAL A 12 18.115 -18.234 13.862 1.00 44.14 H new ATOM 206 N GLU A 13 21.030 -21.964 15.707 1.00 65.32 N ATOM 207 CA GLU A 13 21.579 -22.955 16.610 1.00 15.40 C ATOM 208 C GLU A 13 22.600 -22.302 17.521 1.00 23.23 C ATOM 209 O GLU A 13 23.641 -21.816 17.054 1.00 42.34 O ATOM 210 CB GLU A 13 22.231 -24.083 15.809 1.00 20.03 C ATOM 211 CG GLU A 13 21.232 -24.618 14.765 1.00 1.01 C ATOM 212 CD GLU A 13 20.767 -26.005 15.152 1.00 64.42 C ATOM 213 OE1 GLU A 13 20.230 -26.156 16.230 1.00 14.21 O ATOM 214 OE2 GLU A 13 20.959 -26.904 14.369 1.00 34.31 O ATOM 0 H GLU A 13 21.693 -21.611 15.017 1.00 65.32 H new ATOM 0 HA GLU A 13 20.777 -23.375 17.218 1.00 15.40 H new ATOM 0 HB2 GLU A 13 23.130 -23.718 15.313 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.539 -24.887 16.478 1.00 20.03 H new ATOM 0 HG2 GLU A 13 20.376 -23.947 14.692 1.00 1.01 H new ATOM 0 HG3 GLU A 13 21.701 -24.645 13.782 1.00 1.01 H new ATOM 221 N ASP A 14 22.289 -22.246 18.804 1.00 22.33 N ATOM 222 CA ASP A 14 23.160 -21.602 19.780 1.00 31.53 C ATOM 223 C ASP A 14 24.288 -22.519 20.210 1.00 2.03 C ATOM 224 O ASP A 14 24.195 -23.743 20.065 1.00 12.43 O ATOM 225 CB ASP A 14 22.357 -21.153 21.007 1.00 1.42 C ATOM 226 CG ASP A 14 23.213 -20.305 21.932 1.00 22.13 C ATOM 227 OD1 ASP A 14 24.181 -19.742 21.474 1.00 34.20 O ATOM 228 OD2 ASP A 14 22.874 -20.212 23.075 1.00 24.52 O ATOM 0 H ASP A 14 21.435 -22.640 19.199 1.00 22.33 H new ATOM 0 HA ASP A 14 23.597 -20.727 19.299 1.00 31.53 H new ATOM 0 HB2 ASP A 14 21.485 -20.583 20.687 1.00 1.42 H new ATOM 0 HB3 ASP A 14 21.988 -22.026 21.545 1.00 1.42 H new ATOM 233 N ALA A 15 25.293 -21.943 20.846 1.00 64.23 N ATOM 234 CA ALA A 15 26.402 -22.719 21.401 1.00 62.10 C ATOM 235 C ALA A 15 25.865 -23.739 22.378 1.00 0.30 C ATOM 236 O ALA A 15 26.455 -24.794 22.588 1.00 4.10 O ATOM 237 CB ALA A 15 27.380 -21.803 22.126 1.00 72.21 C ATOM 0 H ALA A 15 25.369 -20.937 20.994 1.00 64.23 H new ATOM 0 HA ALA A 15 26.920 -23.221 20.584 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.199 -22.395 22.533 1.00 72.21 H new ATOM 0 HB2 ALA A 15 27.777 -21.067 21.426 1.00 72.21 H new ATOM 0 HB3 ALA A 15 26.864 -21.290 22.938 1.00 72.21 H new ATOM 243 N GLN A 16 24.722 -23.425 22.953 1.00 3.31 N ATOM 244 CA GLN A 16 24.053 -24.324 23.874 1.00 70.51 C ATOM 245 C GLN A 16 23.444 -25.491 23.093 1.00 44.44 C ATOM 246 O GLN A 16 22.733 -26.325 23.659 1.00 43.52 O ATOM 247 CB GLN A 16 22.952 -23.569 24.637 1.00 25.04 C ATOM 248 CG GLN A 16 23.552 -22.351 25.361 1.00 60.51 C ATOM 249 CD GLN A 16 24.556 -22.796 26.408 1.00 52.33 C ATOM 250 OE1 GLN A 16 24.206 -23.535 27.326 1.00 42.31 O ATOM 251 NE2 GLN A 16 25.785 -22.405 26.326 1.00 32.13 N ATOM 0 H GLN A 16 24.232 -22.544 22.797 1.00 3.31 H new ATOM 0 HA GLN A 16 24.776 -24.710 24.593 1.00 70.51 H new ATOM 0 HB2 GLN A 16 22.176 -23.244 23.944 1.00 25.04 H new ATOM 0 HB3 GLN A 16 22.477 -24.234 25.359 1.00 25.04 H new ATOM 0 HG2 GLN A 16 24.038 -21.694 24.639 1.00 60.51 H new ATOM 0 HG3 GLN A 16 22.757 -21.773 25.833 1.00 60.51 H new ATOM 0 HE21 GLN A 16 26.075 -21.792 25.564 1.00 32.13 H new ATOM 0 HE22 GLN A 16 26.465 -22.710 27.023 1.00 32.13 H new ATOM 260 N MET A 17 23.620 -25.450 21.768 1.00 5.31 N ATOM 261 CA MET A 17 23.015 -26.411 20.853 1.00 12.12 C ATOM 262 C MET A 17 21.505 -26.337 20.916 1.00 54.32 C ATOM 263 O MET A 17 20.800 -27.250 20.473 1.00 30.13 O ATOM 264 CB MET A 17 23.515 -27.839 21.096 1.00 21.12 C ATOM 265 CG MET A 17 24.991 -27.929 20.693 1.00 2.23 C ATOM 266 SD MET A 17 25.594 -29.609 20.975 1.00 25.23 S ATOM 267 CE MET A 17 24.646 -30.415 19.657 1.00 74.04 C ATOM 0 H MET A 17 24.190 -24.744 21.302 1.00 5.31 H new ATOM 0 HA MET A 17 23.328 -26.138 19.845 1.00 12.12 H new ATOM 0 HB2 MET A 17 23.395 -28.106 22.146 1.00 21.12 H new ATOM 0 HB3 MET A 17 22.923 -28.548 20.517 1.00 21.12 H new ATOM 0 HG2 MET A 17 25.109 -27.661 19.643 1.00 2.23 H new ATOM 0 HG3 MET A 17 25.581 -27.218 21.272 1.00 2.23 H new ATOM 0 HE1 MET A 17 25.223 -31.245 19.249 1.00 74.04 H new ATOM 0 HE2 MET A 17 23.706 -30.791 20.062 1.00 74.04 H new ATOM 0 HE3 MET A 17 24.438 -29.695 18.866 1.00 74.04 H new ATOM 277 N HIS A 18 21.020 -25.191 21.352 1.00 43.51 N ATOM 278 CA HIS A 18 19.604 -24.911 21.344 1.00 22.43 C ATOM 279 C HIS A 18 19.226 -24.334 19.998 1.00 34.12 C ATOM 280 O HIS A 18 19.892 -23.420 19.502 1.00 31.44 O ATOM 281 CB HIS A 18 19.248 -23.924 22.459 1.00 70.50 C ATOM 282 CG HIS A 18 17.771 -23.646 22.433 1.00 40.41 C ATOM 283 ND1 HIS A 18 17.264 -22.368 22.279 1.00 0.13 N ATOM 284 CD2 HIS A 18 16.679 -24.477 22.524 1.00 21.11 C ATOM 285 CE1 HIS A 18 15.921 -22.462 22.280 1.00 21.41 C ATOM 286 NE2 HIS A 18 15.512 -23.724 22.427 1.00 74.45 N ATOM 0 H HIS A 18 21.596 -24.433 21.719 1.00 43.51 H new ATOM 0 HA HIS A 18 19.051 -25.834 21.517 1.00 22.43 H new ATOM 0 HB2 HIS A 18 19.534 -24.335 23.427 1.00 70.50 H new ATOM 0 HB3 HIS A 18 19.805 -22.996 22.329 1.00 70.50 H new ATOM 0 HD2 HIS A 18 16.720 -25.549 22.651 1.00 21.11 H new ATOM 0 HE1 HIS A 18 15.255 -21.618 22.175 1.00 21.41 H new ATOM 0 HE2 HIS A 18 14.551 -24.064 22.461 1.00 74.45 H new ATOM 295 N THR A 19 18.199 -24.887 19.392 1.00 71.41 N ATOM 296 CA THR A 19 17.772 -24.434 18.090 1.00 41.11 C ATOM 297 C THR A 19 16.645 -23.426 18.247 1.00 2.13 C ATOM 298 O THR A 19 15.638 -23.709 18.901 1.00 64.45 O ATOM 299 CB THR A 19 17.293 -25.626 17.257 1.00 2.14 C ATOM 300 OG1 THR A 19 18.185 -26.723 17.448 1.00 11.24 O ATOM 301 CG2 THR A 19 17.275 -25.242 15.772 1.00 20.53 C ATOM 0 H THR A 19 17.645 -25.650 19.781 1.00 71.41 H new ATOM 0 HA THR A 19 18.610 -23.959 17.580 1.00 41.11 H new ATOM 0 HB THR A 19 16.288 -25.908 17.572 1.00 2.14 H new ATOM 0 HG1 THR A 19 18.792 -26.788 16.682 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.934 -26.092 15.181 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.599 -24.400 15.622 1.00 20.53 H new ATOM 0 HG23 THR A 19 18.280 -24.961 15.457 1.00 20.53 H new ATOM 309 N VAL A 20 16.810 -22.268 17.653 1.00 62.44 N ATOM 310 CA VAL A 20 15.803 -21.230 17.719 1.00 2.05 C ATOM 311 C VAL A 20 15.419 -20.814 16.318 1.00 1.51 C ATOM 312 O VAL A 20 16.171 -21.028 15.372 1.00 15.42 O ATOM 313 CB VAL A 20 16.341 -20.012 18.490 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.177 -19.126 18.949 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.138 -20.480 19.711 1.00 52.53 C ATOM 0 H VAL A 20 17.639 -22.018 17.114 1.00 62.44 H new ATOM 0 HA VAL A 20 14.928 -21.617 18.241 1.00 2.05 H new ATOM 0 HB VAL A 20 16.992 -19.437 17.831 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.567 -18.266 19.494 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.617 -18.781 18.080 1.00 41.33 H new ATOM 0 HG13 VAL A 20 14.518 -19.700 19.600 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.516 -19.613 20.253 1.00 52.53 H new ATOM 0 HG22 VAL A 20 16.491 -21.063 20.366 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.975 -21.097 19.384 1.00 52.53 H new ATOM 325 N THR A 21 14.268 -20.208 16.192 1.00 63.53 N ATOM 326 CA THR A 21 13.807 -19.730 14.913 1.00 44.25 C ATOM 327 C THR A 21 13.476 -18.263 15.020 1.00 12.41 C ATOM 328 O THR A 21 12.754 -17.848 15.938 1.00 11.33 O ATOM 329 CB THR A 21 12.570 -20.516 14.475 1.00 65.22 C ATOM 330 OG1 THR A 21 12.870 -21.903 14.520 1.00 25.54 O ATOM 331 CG2 THR A 21 12.186 -20.134 13.039 1.00 10.42 C ATOM 0 H THR A 21 13.627 -20.032 16.966 1.00 63.53 H new ATOM 0 HA THR A 21 14.591 -19.871 14.169 1.00 44.25 H new ATOM 0 HB THR A 21 11.739 -20.285 15.142 1.00 65.22 H new ATOM 0 HG1 THR A 21 12.083 -22.417 14.243 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.304 -20.699 12.736 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.968 -19.067 12.992 1.00 10.42 H new ATOM 0 HG23 THR A 21 13.013 -20.365 12.368 1.00 10.42 H new ATOM 339 N ILE A 22 13.945 -17.487 14.070 1.00 41.12 N ATOM 340 CA ILE A 22 13.606 -16.083 14.031 1.00 63.41 C ATOM 341 C ILE A 22 12.972 -15.773 12.697 1.00 15.43 C ATOM 342 O ILE A 22 13.249 -16.445 11.698 1.00 50.41 O ATOM 343 CB ILE A 22 14.848 -15.204 14.269 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.872 -15.440 13.164 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.484 -15.557 15.621 1.00 31.40 C ATOM 346 CD1 ILE A 22 17.028 -14.449 13.321 1.00 75.44 C ATOM 0 H ILE A 22 14.559 -17.801 13.318 1.00 41.12 H new ATOM 0 HA ILE A 22 12.899 -15.860 14.830 1.00 63.41 H new ATOM 0 HB ILE A 22 14.542 -14.158 14.267 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.246 -16.463 13.212 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.404 -15.318 12.187 1.00 65.05 H new ATOM 0 HG21 ILE A 22 16.362 -14.932 15.784 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.762 -15.384 16.419 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.780 -16.606 15.621 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.761 -14.617 12.532 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.646 -13.430 13.251 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.501 -14.593 14.292 1.00 75.44 H new ATOM 358 N TRP A 23 12.082 -14.810 12.699 1.00 51.20 N ATOM 359 CA TRP A 23 11.332 -14.467 11.515 1.00 45.54 C ATOM 360 C TRP A 23 11.803 -13.110 11.017 1.00 3.15 C ATOM 361 O TRP A 23 11.767 -12.123 11.761 1.00 71.12 O ATOM 362 CB TRP A 23 9.823 -14.412 11.870 1.00 14.21 C ATOM 363 CG TRP A 23 9.475 -15.559 12.793 1.00 32.22 C ATOM 364 CD1 TRP A 23 9.722 -15.583 14.124 1.00 44.21 C ATOM 365 CD2 TRP A 23 8.821 -16.823 12.484 1.00 53.12 C ATOM 366 NE1 TRP A 23 9.280 -16.787 14.642 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.714 -17.583 13.672 1.00 64.15 C ATOM 368 CE3 TRP A 23 8.321 -17.377 11.303 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.135 -18.848 13.680 1.00 24.32 C ATOM 370 CZ3 TRP A 23 7.733 -18.647 11.301 1.00 74.51 C ATOM 371 CH2 TRP A 23 7.645 -19.386 12.488 1.00 12.23 C ATOM 0 H TRP A 23 11.858 -14.244 13.518 1.00 51.20 H new ATOM 0 HA TRP A 23 11.487 -15.213 10.735 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.587 -13.462 12.349 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.223 -14.469 10.962 1.00 14.21 H new ATOM 0 HD1 TRP A 23 10.189 -14.790 14.690 1.00 44.21 H new ATOM 0 HE1 TRP A 23 9.363 -17.053 15.623 1.00 24.00 H new ATOM 0 HE3 TRP A 23 8.389 -16.819 10.381 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.065 -19.409 14.600 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 7.346 -19.059 10.381 1.00 74.51 H new ATOM 0 HH2 TRP A 23 7.199 -20.370 12.481 1.00 12.23 H new ATOM 382 N LEU A 24 12.281 -13.066 9.792 1.00 44.10 N ATOM 383 CA LEU A 24 12.791 -11.834 9.218 1.00 40.20 C ATOM 384 C LEU A 24 11.975 -11.470 7.991 1.00 52.40 C ATOM 385 O LEU A 24 11.720 -12.321 7.141 1.00 21.24 O ATOM 386 CB LEU A 24 14.270 -12.008 8.825 1.00 70.54 C ATOM 387 CG LEU A 24 15.110 -12.431 10.054 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.545 -12.716 9.619 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.130 -11.310 11.100 1.00 21.54 C ATOM 0 H LEU A 24 12.328 -13.873 9.169 1.00 44.10 H new ATOM 0 HA LEU A 24 12.712 -11.036 9.956 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.358 -12.760 8.040 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.656 -11.074 8.417 1.00 70.54 H new ATOM 0 HG LEU A 24 14.661 -13.325 10.488 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.136 -13.014 10.485 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.549 -13.520 8.883 1.00 42.21 H new ATOM 0 HD13 LEU A 24 16.976 -11.818 9.177 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.725 -11.623 11.958 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.568 -10.413 10.663 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.111 -11.096 11.424 1.00 21.54 H new ATOM 401 N THR A 25 11.594 -10.221 7.876 1.00 32.11 N ATOM 402 CA THR A 25 10.849 -9.778 6.714 1.00 20.03 C ATOM 403 C THR A 25 11.683 -8.772 5.932 1.00 15.11 C ATOM 404 O THR A 25 12.123 -7.755 6.481 1.00 30.42 O ATOM 405 CB THR A 25 9.518 -9.165 7.160 1.00 11.33 C ATOM 406 OG1 THR A 25 8.919 -10.030 8.126 1.00 74.12 O ATOM 407 CG2 THR A 25 8.577 -9.033 5.960 1.00 51.01 C ATOM 0 H THR A 25 11.784 -9.494 8.566 1.00 32.11 H new ATOM 0 HA THR A 25 10.633 -10.626 6.064 1.00 20.03 H new ATOM 0 HB THR A 25 9.695 -8.178 7.588 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.066 -9.649 8.422 1.00 74.12 H new ATOM 0 HG21 THR A 25 7.632 -8.596 6.285 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.034 -8.390 5.208 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.393 -10.018 5.532 1.00 51.01 H new ATOM 415 N VAL A 26 11.983 -9.109 4.690 1.00 24.42 N ATOM 416 CA VAL A 26 12.871 -8.310 3.855 1.00 0.53 C ATOM 417 C VAL A 26 12.572 -8.560 2.380 1.00 14.44 C ATOM 418 O VAL A 26 11.613 -9.253 2.048 1.00 61.52 O ATOM 419 CB VAL A 26 14.332 -8.676 4.159 1.00 60.45 C ATOM 420 CG1 VAL A 26 14.718 -8.197 5.566 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.499 -10.199 4.086 1.00 64.00 C ATOM 0 H VAL A 26 11.620 -9.943 4.229 1.00 24.42 H new ATOM 0 HA VAL A 26 12.709 -7.254 4.073 1.00 0.53 H new ATOM 0 HB VAL A 26 14.977 -8.192 3.426 1.00 60.45 H new ATOM 0 HG11 VAL A 26 15.756 -8.463 5.769 1.00 14.20 H new ATOM 0 HG12 VAL A 26 14.602 -7.115 5.627 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.071 -8.673 6.303 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.535 -10.462 4.301 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.845 -10.672 4.818 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.237 -10.546 3.087 1.00 64.00 H new ATOM 431 N ARG A 27 13.436 -8.060 1.510 1.00 33.21 N ATOM 432 CA ARG A 27 13.317 -8.306 0.078 1.00 4.21 C ATOM 433 C ARG A 27 14.428 -9.242 -0.382 1.00 3.32 C ATOM 434 O ARG A 27 15.557 -9.127 0.082 1.00 72.11 O ATOM 435 CB ARG A 27 13.411 -6.986 -0.701 1.00 30.33 C ATOM 436 CG ARG A 27 14.476 -6.071 -0.066 1.00 13.41 C ATOM 437 CD ARG A 27 13.793 -5.000 0.799 1.00 0.42 C ATOM 438 NE ARG A 27 14.390 -4.929 2.137 1.00 5.44 N ATOM 439 CZ ARG A 27 13.649 -4.874 3.255 1.00 52.45 C ATOM 440 NH1 ARG A 27 12.353 -4.931 3.181 1.00 55.30 N ATOM 441 NH2 ARG A 27 14.227 -4.773 4.416 1.00 23.52 N ATOM 0 H ARG A 27 14.232 -7.478 1.771 1.00 33.21 H new ATOM 0 HA ARG A 27 12.348 -8.766 -0.114 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.666 -7.186 -1.742 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.443 -6.485 -0.701 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.160 -6.662 0.543 1.00 13.41 H new ATOM 0 HG3 ARG A 27 15.072 -5.596 -0.845 1.00 13.41 H new ATOM 0 HD2 ARG A 27 13.876 -4.029 0.311 1.00 0.42 H new ATOM 0 HD3 ARG A 27 12.730 -5.224 0.885 1.00 0.42 H new ATOM 0 HE ARG A 27 15.406 -4.921 2.221 1.00 5.44 H new ATOM 0 HH11 ARG A 27 11.897 -5.018 2.273 1.00 55.30 H new ATOM 0 HH12 ARG A 27 11.791 -4.889 4.031 1.00 55.30 H new ATOM 0 HH21 ARG A 27 15.244 -4.735 4.478 1.00 23.52 H new ATOM 0 HH22 ARG A 27 13.663 -4.731 5.265 1.00 23.52 H new ATOM 455 N PRO A 28 14.176 -10.075 -1.365 1.00 70.42 N ATOM 456 CA PRO A 28 15.231 -10.959 -1.956 1.00 2.44 C ATOM 457 C PRO A 28 16.401 -10.120 -2.443 1.00 10.52 C ATOM 458 O PRO A 28 17.548 -10.583 -2.504 1.00 73.22 O ATOM 459 CB PRO A 28 14.526 -11.611 -3.147 1.00 63.31 C ATOM 460 CG PRO A 28 13.076 -11.554 -2.820 1.00 53.01 C ATOM 461 CD PRO A 28 12.869 -10.265 -2.026 1.00 50.41 C ATOM 0 HA PRO A 28 15.630 -11.682 -1.245 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.742 -11.078 -4.073 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.858 -12.640 -3.286 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.472 -11.554 -3.727 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.774 -12.424 -2.236 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.618 -9.426 -2.675 1.00 50.41 H new ATOM 0 HD3 PRO A 28 12.060 -10.361 -1.302 1.00 50.41 H new ATOM 469 N ASP A 29 16.084 -8.884 -2.784 1.00 21.24 N ATOM 470 CA ASP A 29 17.058 -7.913 -3.260 1.00 42.34 C ATOM 471 C ASP A 29 18.077 -7.600 -2.196 1.00 22.22 C ATOM 472 O ASP A 29 19.224 -7.262 -2.496 1.00 73.13 O ATOM 473 CB ASP A 29 16.366 -6.628 -3.698 1.00 0.01 C ATOM 474 CG ASP A 29 17.401 -5.580 -4.047 1.00 62.22 C ATOM 475 OD1 ASP A 29 18.184 -5.816 -4.945 1.00 43.24 O ATOM 476 OD2 ASP A 29 17.397 -4.547 -3.417 1.00 21.43 O ATOM 0 H ASP A 29 15.132 -8.520 -2.738 1.00 21.24 H new ATOM 0 HA ASP A 29 17.570 -8.353 -4.115 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.728 -6.823 -4.560 1.00 0.01 H new ATOM 0 HB3 ASP A 29 15.720 -6.262 -2.900 1.00 0.01 H new ATOM 481 N MET A 30 17.637 -7.626 -0.955 1.00 31.25 N ATOM 482 CA MET A 30 18.507 -7.297 0.150 1.00 25.12 C ATOM 483 C MET A 30 19.719 -8.180 0.197 1.00 64.13 C ATOM 484 O MET A 30 19.785 -9.225 -0.451 1.00 62.13 O ATOM 485 CB MET A 30 17.783 -7.349 1.487 1.00 2.42 C ATOM 486 CG MET A 30 17.414 -5.939 1.929 1.00 11.34 C ATOM 487 SD MET A 30 16.557 -6.049 3.512 1.00 52.43 S ATOM 488 CE MET A 30 17.975 -6.608 4.493 1.00 61.23 C ATOM 0 H MET A 30 16.683 -7.871 -0.689 1.00 31.25 H new ATOM 0 HA MET A 30 18.833 -6.272 -0.025 1.00 25.12 H new ATOM 0 HB2 MET A 30 16.884 -7.960 1.401 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.418 -7.821 2.237 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.309 -5.324 2.024 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.777 -5.462 1.184 1.00 11.34 H new ATOM 0 HE1 MET A 30 17.796 -6.393 5.546 1.00 61.23 H new ATOM 0 HE2 MET A 30 18.109 -7.681 4.360 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.874 -6.086 4.163 1.00 61.23 H new ATOM 498 N THR A 31 20.667 -7.740 0.963 1.00 12.23 N ATOM 499 CA THR A 31 21.901 -8.418 1.148 1.00 31.41 C ATOM 500 C THR A 31 21.857 -9.210 2.453 1.00 44.04 C ATOM 501 O THR A 31 21.292 -8.738 3.455 1.00 12.01 O ATOM 502 CB THR A 31 22.995 -7.361 1.208 1.00 25.42 C ATOM 503 OG1 THR A 31 22.918 -6.538 0.038 1.00 20.13 O ATOM 504 CG2 THR A 31 24.352 -8.030 1.294 1.00 40.23 C ATOM 0 H THR A 31 20.596 -6.871 1.492 1.00 12.23 H new ATOM 0 HA THR A 31 22.092 -9.115 0.332 1.00 31.41 H new ATOM 0 HB THR A 31 22.859 -6.740 2.093 1.00 25.42 H new ATOM 0 HG1 THR A 31 23.619 -5.854 0.072 1.00 20.13 H new ATOM 0 HG21 THR A 31 25.131 -7.269 1.337 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.398 -8.646 2.192 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.505 -8.657 0.415 1.00 40.23 H new ATOM 512 N VAL A 32 22.495 -10.371 2.468 1.00 60.15 N ATOM 513 CA VAL A 32 22.549 -11.168 3.678 1.00 10.31 C ATOM 514 C VAL A 32 23.228 -10.356 4.765 1.00 54.12 C ATOM 515 O VAL A 32 22.744 -10.278 5.875 1.00 54.33 O ATOM 516 CB VAL A 32 23.295 -12.492 3.425 1.00 44.23 C ATOM 517 CG1 VAL A 32 23.471 -13.263 4.740 1.00 71.12 C ATOM 518 CG2 VAL A 32 22.493 -13.348 2.439 1.00 24.05 C ATOM 0 H VAL A 32 22.976 -10.776 1.665 1.00 60.15 H new ATOM 0 HA VAL A 32 21.538 -11.423 3.997 1.00 10.31 H new ATOM 0 HB VAL A 32 24.278 -12.270 3.009 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.000 -14.196 4.547 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.046 -12.659 5.442 1.00 71.12 H new ATOM 0 HG13 VAL A 32 22.492 -13.482 5.167 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.020 -14.285 2.259 1.00 24.05 H new ATOM 0 HG22 VAL A 32 21.509 -13.559 2.857 1.00 24.05 H new ATOM 0 HG23 VAL A 32 22.379 -12.809 1.498 1.00 24.05 H new ATOM 528 N ALA A 33 24.315 -9.699 4.412 1.00 53.45 N ATOM 529 CA ALA A 33 25.026 -8.846 5.350 1.00 55.04 C ATOM 530 C ALA A 33 24.088 -7.835 5.958 1.00 52.23 C ATOM 531 O ALA A 33 23.980 -7.748 7.164 1.00 54.14 O ATOM 532 CB ALA A 33 26.191 -8.135 4.666 1.00 50.32 C ATOM 0 H ALA A 33 24.728 -9.738 3.480 1.00 53.45 H new ATOM 0 HA ALA A 33 25.426 -9.478 6.143 1.00 55.04 H new ATOM 0 HB1 ALA A 33 26.707 -7.503 5.389 1.00 50.32 H new ATOM 0 HB2 ALA A 33 26.886 -8.875 4.270 1.00 50.32 H new ATOM 0 HB3 ALA A 33 25.813 -7.519 3.850 1.00 50.32 H new ATOM 538 N SER A 34 23.311 -7.167 5.123 1.00 20.42 N ATOM 539 CA SER A 34 22.327 -6.238 5.644 1.00 42.23 C ATOM 540 C SER A 34 21.396 -6.986 6.589 1.00 51.41 C ATOM 541 O SER A 34 21.119 -6.533 7.706 1.00 74.05 O ATOM 542 CB SER A 34 21.517 -5.624 4.496 1.00 22.13 C ATOM 543 OG SER A 34 22.402 -5.084 3.520 1.00 22.31 O ATOM 0 H SER A 34 23.340 -7.247 4.107 1.00 20.42 H new ATOM 0 HA SER A 34 22.833 -5.435 6.179 1.00 42.23 H new ATOM 0 HB2 SER A 34 20.879 -6.382 4.042 1.00 22.13 H new ATOM 0 HB3 SER A 34 20.861 -4.842 4.878 1.00 22.13 H new ATOM 0 HG SER A 34 21.882 -4.694 2.787 1.00 22.31 H new ATOM 549 N LEU A 35 20.973 -8.167 6.161 1.00 42.51 N ATOM 550 CA LEU A 35 20.121 -9.017 6.973 1.00 60.21 C ATOM 551 C LEU A 35 20.852 -9.459 8.248 1.00 12.50 C ATOM 552 O LEU A 35 20.348 -9.298 9.357 1.00 51.11 O ATOM 553 CB LEU A 35 19.665 -10.230 6.143 1.00 20.44 C ATOM 554 CG LEU A 35 18.769 -11.143 6.978 1.00 63.51 C ATOM 555 CD1 LEU A 35 17.564 -10.353 7.488 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.274 -12.298 6.105 1.00 72.44 C ATOM 0 H LEU A 35 21.209 -8.558 5.249 1.00 42.51 H new ATOM 0 HA LEU A 35 19.240 -8.453 7.281 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.125 -9.891 5.259 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.535 -10.786 5.792 1.00 20.44 H new ATOM 0 HG LEU A 35 19.336 -11.531 7.824 1.00 63.51 H new ATOM 0 HD11 LEU A 35 16.926 -11.006 8.083 1.00 4.13 H new ATOM 0 HD12 LEU A 35 17.908 -9.522 8.104 1.00 4.13 H new ATOM 0 HD13 LEU A 35 16.997 -9.966 6.641 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.634 -12.953 6.696 1.00 72.44 H new ATOM 0 HD22 LEU A 35 17.707 -11.901 5.263 1.00 72.44 H new ATOM 0 HD23 LEU A 35 19.128 -12.865 5.733 1.00 72.44 H new ATOM 568 N LYS A 36 22.083 -9.897 8.087 1.00 34.21 N ATOM 569 CA LYS A 36 22.926 -10.280 9.211 1.00 44.21 C ATOM 570 C LYS A 36 23.128 -9.086 10.110 1.00 31.00 C ATOM 571 O LYS A 36 22.988 -9.168 11.339 1.00 33.33 O ATOM 572 CB LYS A 36 24.294 -10.729 8.672 1.00 43.15 C ATOM 573 CG LYS A 36 25.315 -10.872 9.820 1.00 4.03 C ATOM 574 CD LYS A 36 26.331 -9.720 9.752 1.00 65.42 C ATOM 575 CE LYS A 36 27.339 -9.970 8.620 1.00 65.21 C ATOM 576 NZ LYS A 36 27.757 -8.671 8.022 1.00 35.45 N ATOM 0 H LYS A 36 22.531 -9.999 7.177 1.00 34.21 H new ATOM 0 HA LYS A 36 22.454 -11.089 9.769 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.190 -11.681 8.151 1.00 43.15 H new ATOM 0 HB3 LYS A 36 24.658 -10.005 7.943 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.801 -10.861 10.781 1.00 4.03 H new ATOM 0 HG3 LYS A 36 25.830 -11.830 9.745 1.00 4.03 H new ATOM 0 HD2 LYS A 36 25.812 -8.776 9.585 1.00 65.42 H new ATOM 0 HD3 LYS A 36 26.856 -9.631 10.703 1.00 65.42 H new ATOM 0 HE2 LYS A 36 28.210 -10.500 9.006 1.00 65.21 H new ATOM 0 HE3 LYS A 36 26.892 -10.606 7.856 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 28.167 -8.838 7.081 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 26.929 -8.047 7.933 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 28.467 -8.220 8.634 1.00 35.45 H new ATOM 590 N ASP A 37 23.476 -7.980 9.492 1.00 21.40 N ATOM 591 CA ASP A 37 23.771 -6.772 10.210 1.00 31.33 C ATOM 592 C ASP A 37 22.535 -6.286 10.937 1.00 3.04 C ATOM 593 O ASP A 37 22.592 -6.009 12.130 1.00 73.14 O ATOM 594 CB ASP A 37 24.293 -5.702 9.241 1.00 1.34 C ATOM 595 CG ASP A 37 25.797 -5.869 9.033 1.00 74.31 C ATOM 596 OD1 ASP A 37 26.193 -6.712 8.243 1.00 52.50 O ATOM 597 OD2 ASP A 37 26.542 -5.164 9.674 1.00 11.04 O ATOM 0 H ASP A 37 23.561 -7.898 8.479 1.00 21.40 H new ATOM 0 HA ASP A 37 24.546 -6.973 10.950 1.00 31.33 H new ATOM 0 HB2 ASP A 37 23.775 -5.782 8.285 1.00 1.34 H new ATOM 0 HB3 ASP A 37 24.081 -4.708 9.636 1.00 1.34 H new ATOM 602 N MET A 38 21.385 -6.321 10.265 1.00 34.44 N ATOM 603 CA MET A 38 20.134 -5.972 10.915 1.00 41.13 C ATOM 604 C MET A 38 19.800 -6.971 12.006 1.00 34.34 C ATOM 605 O MET A 38 19.389 -6.588 13.094 1.00 71.22 O ATOM 606 CB MET A 38 18.984 -5.798 9.912 1.00 41.21 C ATOM 607 CG MET A 38 18.325 -7.135 9.609 1.00 23.15 C ATOM 608 SD MET A 38 16.807 -6.874 8.651 1.00 32.15 S ATOM 609 CE MET A 38 15.864 -8.291 9.277 1.00 74.35 C ATOM 0 H MET A 38 21.299 -6.585 9.283 1.00 34.44 H new ATOM 0 HA MET A 38 20.267 -4.999 11.387 1.00 41.13 H new ATOM 0 HB2 MET A 38 18.245 -5.106 10.316 1.00 41.21 H new ATOM 0 HB3 MET A 38 19.363 -5.357 8.990 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.012 -7.771 9.051 1.00 23.15 H new ATOM 0 HG3 MET A 38 18.094 -7.655 10.539 1.00 23.15 H new ATOM 0 HE1 MET A 38 15.366 -8.792 8.447 1.00 74.35 H new ATOM 0 HE2 MET A 38 16.541 -8.989 9.770 1.00 74.35 H new ATOM 0 HE3 MET A 38 15.117 -7.944 9.991 1.00 74.35 H new ATOM 619 N VAL A 39 20.081 -8.243 11.744 1.00 14.41 N ATOM 620 CA VAL A 39 19.905 -9.280 12.746 1.00 25.32 C ATOM 621 C VAL A 39 20.778 -8.945 13.938 1.00 51.44 C ATOM 622 O VAL A 39 20.325 -8.998 15.084 1.00 21.33 O ATOM 623 CB VAL A 39 20.236 -10.678 12.167 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.257 -11.738 13.279 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.167 -11.066 11.133 1.00 65.31 C ATOM 0 H VAL A 39 20.431 -8.577 10.846 1.00 14.41 H new ATOM 0 HA VAL A 39 18.863 -9.317 13.063 1.00 25.32 H new ATOM 0 HB VAL A 39 21.220 -10.634 11.700 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.491 -12.712 12.849 1.00 41.14 H new ATOM 0 HG12 VAL A 39 21.014 -11.476 14.018 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.280 -11.780 13.760 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.397 -12.050 10.723 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.189 -11.093 11.613 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.156 -10.331 10.328 1.00 65.31 H new ATOM 635 N PHE A 40 21.991 -8.481 13.668 1.00 3.12 N ATOM 636 CA PHE A 40 22.842 -7.993 14.739 1.00 33.42 C ATOM 637 C PHE A 40 22.151 -6.853 15.466 1.00 2.10 C ATOM 638 O PHE A 40 22.062 -6.858 16.688 1.00 42.22 O ATOM 639 CB PHE A 40 24.219 -7.540 14.232 1.00 31.43 C ATOM 640 CG PHE A 40 24.956 -6.836 15.358 1.00 13.33 C ATOM 641 CD1 PHE A 40 25.320 -7.533 16.511 1.00 13.01 C ATOM 642 CD2 PHE A 40 25.248 -5.475 15.250 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.978 -6.876 17.553 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.904 -4.815 16.293 1.00 33.14 C ATOM 645 CZ PHE A 40 26.271 -5.515 17.444 1.00 34.32 C ATOM 0 H PHE A 40 22.400 -8.433 12.735 1.00 3.12 H new ATOM 0 HA PHE A 40 23.011 -8.822 15.427 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.794 -8.399 13.886 1.00 31.43 H new ATOM 0 HB3 PHE A 40 24.104 -6.869 13.380 1.00 31.43 H new ATOM 0 HD1 PHE A 40 25.092 -8.585 16.598 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.967 -4.932 14.360 1.00 43.21 H new ATOM 0 HE1 PHE A 40 26.260 -7.420 18.442 1.00 61.34 H new ATOM 0 HE2 PHE A 40 26.127 -3.762 16.208 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.780 -5.005 18.248 1.00 34.32 H new ATOM 655 N LEU A 41 21.597 -5.910 14.709 1.00 22.50 N ATOM 656 CA LEU A 41 20.881 -4.805 15.340 1.00 60.20 C ATOM 657 C LEU A 41 19.719 -5.381 16.111 1.00 62.30 C ATOM 658 O LEU A 41 19.323 -4.867 17.159 1.00 2.04 O ATOM 659 CB LEU A 41 20.280 -3.851 14.285 1.00 64.43 C ATOM 660 CG LEU A 41 21.326 -3.411 13.264 1.00 14.35 C ATOM 661 CD1 LEU A 41 20.704 -2.440 12.257 1.00 15.13 C ATOM 662 CD2 LEU A 41 22.512 -2.765 13.950 1.00 2.24 C ATOM 0 H LEU A 41 21.627 -5.886 13.690 1.00 22.50 H new ATOM 0 HA LEU A 41 21.581 -4.260 15.973 1.00 60.20 H new ATOM 0 HB2 LEU A 41 19.456 -4.348 13.772 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.864 -2.974 14.781 1.00 64.43 H new ATOM 0 HG LEU A 41 21.679 -4.295 12.733 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.459 -2.133 11.534 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.882 -2.932 11.737 1.00 15.13 H new ATOM 0 HD13 LEU A 41 20.327 -1.563 12.783 1.00 15.13 H new ATOM 0 HD21 LEU A 41 23.243 -2.460 13.202 1.00 2.24 H new ATOM 0 HD22 LEU A 41 22.178 -1.890 14.508 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.970 -3.479 14.635 1.00 2.24 H new ATOM 674 N ASP A 42 19.061 -6.329 15.490 1.00 3.40 N ATOM 675 CA ASP A 42 17.831 -6.860 16.030 1.00 20.53 C ATOM 676 C ASP A 42 18.074 -7.749 17.243 1.00 55.41 C ATOM 677 O ASP A 42 17.390 -7.613 18.259 1.00 3.34 O ATOM 678 CB ASP A 42 17.053 -7.629 14.952 1.00 22.22 C ATOM 679 CG ASP A 42 15.568 -7.462 15.181 1.00 70.13 C ATOM 680 OD1 ASP A 42 15.100 -6.349 15.058 1.00 75.41 O ATOM 681 OD2 ASP A 42 14.913 -8.432 15.475 1.00 72.43 O ATOM 0 H ASP A 42 19.356 -6.750 14.609 1.00 3.40 H new ATOM 0 HA ASP A 42 17.233 -6.011 16.361 1.00 20.53 H new ATOM 0 HB2 ASP A 42 17.322 -7.260 13.962 1.00 22.22 H new ATOM 0 HB3 ASP A 42 17.319 -8.686 14.981 1.00 22.22 H new ATOM 686 N TYR A 43 18.998 -8.698 17.119 1.00 32.23 N ATOM 687 CA TYR A 43 19.235 -9.668 18.198 1.00 3.43 C ATOM 688 C TYR A 43 20.600 -9.507 18.857 1.00 54.44 C ATOM 689 O TYR A 43 20.954 -10.279 19.748 1.00 52.22 O ATOM 690 CB TYR A 43 19.086 -11.095 17.668 1.00 12.45 C ATOM 691 CG TYR A 43 17.717 -11.252 17.056 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.600 -11.459 17.872 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.564 -11.178 15.672 1.00 13.44 C ATOM 694 CE1 TYR A 43 15.334 -11.592 17.298 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.302 -11.310 15.096 1.00 50.22 C ATOM 696 CZ TYR A 43 15.184 -11.515 15.910 1.00 33.42 C ATOM 697 OH TYR A 43 13.938 -11.637 15.343 1.00 11.32 O ATOM 0 H TYR A 43 19.590 -8.820 16.297 1.00 32.23 H new ATOM 0 HA TYR A 43 18.484 -9.470 18.963 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.856 -11.303 16.925 1.00 12.45 H new ATOM 0 HB3 TYR A 43 19.221 -11.813 18.477 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.716 -11.516 18.944 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.428 -11.018 15.044 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.471 -11.754 17.926 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.188 -11.254 14.024 1.00 50.22 H new ATOM 0 HH TYR A 43 14.013 -11.559 14.369 1.00 11.32 H new ATOM 707 N GLY A 44 21.387 -8.558 18.397 1.00 13.32 N ATOM 708 CA GLY A 44 22.724 -8.372 18.951 1.00 51.52 C ATOM 709 C GLY A 44 23.635 -9.522 18.548 1.00 41.34 C ATOM 710 O GLY A 44 24.622 -9.801 19.219 1.00 41.15 O ATOM 0 H GLY A 44 21.136 -7.908 17.652 1.00 13.32 H new ATOM 0 HA2 GLY A 44 23.142 -7.429 18.598 1.00 51.52 H new ATOM 0 HA3 GLY A 44 22.668 -8.309 20.038 1.00 51.52 H new ATOM 714 N PHE A 45 23.286 -10.198 17.457 1.00 73.22 N ATOM 715 CA PHE A 45 24.082 -11.323 16.950 1.00 0.40 C ATOM 716 C PHE A 45 25.226 -10.785 16.093 1.00 12.32 C ATOM 717 O PHE A 45 24.992 -10.331 14.977 1.00 44.25 O ATOM 718 CB PHE A 45 23.205 -12.248 16.076 1.00 13.01 C ATOM 719 CG PHE A 45 22.154 -12.990 16.894 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.979 -12.721 18.262 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.354 -13.963 16.268 1.00 43.54 C ATOM 722 CE1 PHE A 45 21.014 -13.418 18.996 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.389 -14.654 17.006 1.00 74.25 C ATOM 724 CZ PHE A 45 20.218 -14.382 18.369 1.00 11.12 C ATOM 0 H PHE A 45 22.456 -9.989 16.902 1.00 73.22 H new ATOM 0 HA PHE A 45 24.473 -11.887 17.797 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.711 -11.656 15.306 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.841 -12.970 15.564 1.00 13.01 H new ATOM 0 HD1 PHE A 45 22.591 -11.975 18.747 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.485 -14.176 15.217 1.00 43.54 H new ATOM 0 HE1 PHE A 45 20.883 -13.212 20.048 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.774 -15.399 16.524 1.00 74.25 H new ATOM 0 HZ PHE A 45 19.471 -14.917 18.936 1.00 11.12 H new ATOM 734 N PRO A 46 26.438 -10.749 16.599 1.00 33.44 N ATOM 735 CA PRO A 46 27.591 -10.181 15.842 1.00 1.25 C ATOM 736 C PRO A 46 27.959 -11.076 14.665 1.00 72.23 C ATOM 737 O PRO A 46 27.615 -12.261 14.648 1.00 63.41 O ATOM 738 CB PRO A 46 28.715 -10.135 16.877 1.00 45.41 C ATOM 739 CG PRO A 46 28.376 -11.219 17.838 1.00 3.22 C ATOM 740 CD PRO A 46 26.848 -11.239 17.921 1.00 61.54 C ATOM 0 HA PRO A 46 27.378 -9.202 15.412 1.00 1.25 H new ATOM 0 HB2 PRO A 46 29.688 -10.303 16.415 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.760 -9.165 17.372 1.00 45.41 H new ATOM 0 HG2 PRO A 46 28.762 -12.179 17.496 1.00 3.22 H new ATOM 0 HG3 PRO A 46 28.818 -11.027 18.816 1.00 3.22 H new ATOM 0 HD2 PRO A 46 26.468 -12.242 18.115 1.00 61.54 H new ATOM 0 HD3 PRO A 46 26.479 -10.598 18.721 1.00 61.54 H new ATOM 748 N PRO A 47 28.637 -10.546 13.684 1.00 24.43 N ATOM 749 CA PRO A 47 28.980 -11.313 12.455 1.00 3.35 C ATOM 750 C PRO A 47 29.833 -12.523 12.770 1.00 32.23 C ATOM 751 O PRO A 47 29.719 -13.562 12.122 1.00 60.40 O ATOM 752 CB PRO A 47 29.755 -10.300 11.599 1.00 22.12 C ATOM 753 CG PRO A 47 30.253 -9.282 12.572 1.00 61.03 C ATOM 754 CD PRO A 47 29.165 -9.171 13.637 1.00 72.21 C ATOM 0 HA PRO A 47 28.097 -11.709 11.953 1.00 3.35 H new ATOM 0 HB2 PRO A 47 30.579 -10.778 11.070 1.00 22.12 H new ATOM 0 HB3 PRO A 47 29.112 -9.846 10.845 1.00 22.12 H new ATOM 0 HG2 PRO A 47 31.202 -9.590 13.011 1.00 61.03 H new ATOM 0 HG3 PRO A 47 30.424 -8.323 12.084 1.00 61.03 H new ATOM 0 HD2 PRO A 47 29.568 -8.856 14.600 1.00 72.21 H new ATOM 0 HD3 PRO A 47 28.397 -8.449 13.361 1.00 72.21 H new ATOM 762 N VAL A 48 30.643 -12.407 13.798 1.00 2.22 N ATOM 763 CA VAL A 48 31.462 -13.519 14.215 1.00 3.34 C ATOM 764 C VAL A 48 30.571 -14.673 14.653 1.00 13.44 C ATOM 765 O VAL A 48 30.735 -15.814 14.203 1.00 24.32 O ATOM 766 CB VAL A 48 32.409 -13.081 15.355 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.609 -12.482 16.523 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.228 -14.275 15.854 1.00 41.53 C ATOM 0 H VAL A 48 30.751 -11.560 14.356 1.00 2.22 H new ATOM 0 HA VAL A 48 32.075 -13.855 13.379 1.00 3.34 H new ATOM 0 HB VAL A 48 33.084 -12.321 14.962 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.293 -12.180 17.316 1.00 44.54 H new ATOM 0 HG12 VAL A 48 31.051 -11.613 16.174 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.914 -13.228 16.909 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.891 -13.952 16.657 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.555 -15.047 16.227 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.822 -14.677 15.033 1.00 41.53 H new ATOM 778 N LEU A 49 29.590 -14.355 15.478 1.00 54.44 N ATOM 779 CA LEU A 49 28.618 -15.339 15.924 1.00 52.43 C ATOM 780 C LEU A 49 27.655 -15.693 14.808 1.00 2.01 C ATOM 781 O LEU A 49 27.287 -16.853 14.647 1.00 62.52 O ATOM 782 CB LEU A 49 27.864 -14.825 17.152 1.00 62.41 C ATOM 783 CG LEU A 49 28.840 -14.734 18.338 1.00 55.31 C ATOM 784 CD1 LEU A 49 28.196 -13.992 19.492 1.00 45.40 C ATOM 785 CD2 LEU A 49 29.215 -16.133 18.814 1.00 21.42 C ATOM 0 H LEU A 49 29.444 -13.418 15.855 1.00 54.44 H new ATOM 0 HA LEU A 49 29.153 -16.247 16.204 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.431 -13.846 16.945 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.039 -15.494 17.394 1.00 62.41 H new ATOM 0 HG LEU A 49 29.731 -14.200 18.006 1.00 55.31 H new ATOM 0 HD11 LEU A 49 28.897 -13.935 20.324 1.00 45.40 H new ATOM 0 HD12 LEU A 49 27.929 -12.985 19.173 1.00 45.40 H new ATOM 0 HD13 LEU A 49 27.298 -14.522 19.810 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.906 -16.059 19.654 1.00 21.42 H new ATOM 0 HD22 LEU A 49 28.316 -16.663 19.130 1.00 21.42 H new ATOM 0 HD23 LEU A 49 29.691 -16.679 18.000 1.00 21.42 H new ATOM 797 N GLN A 50 27.263 -14.692 14.018 1.00 62.55 N ATOM 798 CA GLN A 50 26.330 -14.935 12.931 1.00 24.52 C ATOM 799 C GLN A 50 26.973 -15.691 11.806 1.00 43.40 C ATOM 800 O GLN A 50 27.298 -15.117 10.759 1.00 65.42 O ATOM 801 CB GLN A 50 25.718 -13.650 12.373 1.00 53.50 C ATOM 802 CG GLN A 50 24.696 -13.070 13.339 1.00 42.03 C ATOM 803 CD GLN A 50 23.829 -12.071 12.588 1.00 24.14 C ATOM 804 OE1 GLN A 50 23.262 -12.415 11.549 1.00 22.04 O ATOM 805 NE2 GLN A 50 23.703 -10.861 13.024 1.00 23.53 N ATOM 0 H GLN A 50 27.573 -13.725 14.112 1.00 62.55 H new ATOM 0 HA GLN A 50 25.532 -15.535 13.368 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.505 -12.919 12.188 1.00 53.50 H new ATOM 0 HB3 GLN A 50 25.242 -13.856 11.414 1.00 53.50 H new ATOM 0 HG2 GLN A 50 24.080 -13.865 13.759 1.00 42.03 H new ATOM 0 HG3 GLN A 50 25.199 -12.582 14.174 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.173 -10.577 13.884 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.134 -10.190 12.508 1.00 23.53 H new ATOM 814 N GLN A 51 26.996 -16.987 11.940 1.00 50.00 N ATOM 815 CA GLN A 51 27.404 -17.823 10.853 1.00 5.12 C ATOM 816 C GLN A 51 26.164 -18.322 10.152 1.00 24.14 C ATOM 817 O GLN A 51 25.454 -19.194 10.662 1.00 52.33 O ATOM 818 CB GLN A 51 28.257 -18.976 11.365 1.00 32.34 C ATOM 819 CG GLN A 51 29.566 -18.399 11.925 1.00 40.52 C ATOM 820 CD GLN A 51 30.400 -19.498 12.545 1.00 13.41 C ATOM 821 OE1 GLN A 51 29.948 -20.126 13.582 1.00 2.14 O flip ATOM 822 NE2 GLN A 51 31.497 -19.793 12.070 1.00 64.45 N flip ATOM 0 H GLN A 51 26.737 -17.485 12.792 1.00 50.00 H new ATOM 0 HA GLN A 51 28.015 -17.260 10.147 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.724 -19.528 12.139 1.00 32.34 H new ATOM 0 HB3 GLN A 51 28.467 -19.680 10.559 1.00 32.34 H new ATOM 0 HG2 GLN A 51 30.128 -17.913 11.128 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.345 -17.636 12.671 1.00 40.52 H new ATOM 0 HE21 GLN A 51 31.849 -19.295 11.252 1.00 64.45 H new ATOM 0 HE22 GLN A 51 32.053 -20.535 12.494 1.00 64.45 H new ATOM 831 N TRP A 52 25.871 -17.708 9.023 1.00 42.04 N ATOM 832 CA TRP A 52 24.697 -18.041 8.245 1.00 31.04 C ATOM 833 C TRP A 52 25.037 -19.191 7.328 1.00 72.42 C ATOM 834 O TRP A 52 26.048 -19.145 6.628 1.00 1.43 O ATOM 835 CB TRP A 52 24.269 -16.823 7.397 1.00 75.43 C ATOM 836 CG TRP A 52 23.593 -15.772 8.240 1.00 45.20 C ATOM 837 CD1 TRP A 52 24.211 -14.942 9.120 1.00 33.04 C ATOM 838 CD2 TRP A 52 22.184 -15.407 8.259 1.00 51.21 C ATOM 839 NE1 TRP A 52 23.254 -14.105 9.688 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.993 -14.355 9.185 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.059 -15.890 7.568 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.731 -13.801 9.416 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.791 -15.336 7.796 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.632 -14.294 8.719 1.00 64.43 C ATOM 0 H TRP A 52 26.441 -16.964 8.620 1.00 42.04 H new ATOM 0 HA TRP A 52 23.880 -18.317 8.911 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.144 -16.392 6.910 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.592 -17.148 6.607 1.00 75.43 H new ATOM 0 HD1 TRP A 52 25.268 -14.933 9.342 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.460 -13.394 10.390 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.172 -16.694 6.856 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.610 -12.998 10.128 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 18.934 -15.714 7.258 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.653 -13.872 8.890 1.00 64.43 H new ATOM 855 N VAL A 53 24.205 -20.215 7.321 1.00 64.50 N ATOM 856 CA VAL A 53 24.443 -21.360 6.472 1.00 13.22 C ATOM 857 C VAL A 53 23.299 -21.529 5.489 1.00 24.40 C ATOM 858 O VAL A 53 22.128 -21.590 5.876 1.00 52.11 O ATOM 859 CB VAL A 53 24.622 -22.624 7.333 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.587 -23.873 6.452 1.00 70.32 C ATOM 861 CG2 VAL A 53 25.967 -22.561 8.064 1.00 70.32 C ATOM 0 H VAL A 53 23.362 -20.275 7.892 1.00 64.50 H new ATOM 0 HA VAL A 53 25.359 -21.200 5.903 1.00 13.22 H new ATOM 0 HB VAL A 53 23.809 -22.674 8.057 1.00 15.40 H new ATOM 0 HG11 VAL A 53 24.715 -24.760 7.073 1.00 70.32 H new ATOM 0 HG12 VAL A 53 23.629 -23.927 5.935 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.392 -23.824 5.719 1.00 70.32 H new ATOM 0 HG21 VAL A 53 26.092 -23.456 8.673 1.00 70.32 H new ATOM 0 HG22 VAL A 53 26.775 -22.502 7.335 1.00 70.32 H new ATOM 0 HG23 VAL A 53 25.992 -21.680 8.705 1.00 70.32 H new ATOM 871 N ILE A 54 23.645 -21.575 4.220 1.00 31.32 N ATOM 872 CA ILE A 54 22.680 -21.728 3.158 1.00 2.42 C ATOM 873 C ILE A 54 23.179 -22.781 2.171 1.00 55.44 C ATOM 874 O ILE A 54 24.306 -22.699 1.691 1.00 64.42 O ATOM 875 CB ILE A 54 22.478 -20.369 2.461 1.00 61.22 C ATOM 876 CG1 ILE A 54 21.959 -19.348 3.482 1.00 70.55 C ATOM 877 CG2 ILE A 54 21.451 -20.495 1.336 1.00 73.52 C ATOM 878 CD1 ILE A 54 21.955 -17.949 2.865 1.00 33.44 C ATOM 0 H ILE A 54 24.610 -21.507 3.897 1.00 31.32 H new ATOM 0 HA ILE A 54 21.722 -22.059 3.560 1.00 2.42 H new ATOM 0 HB ILE A 54 23.432 -20.044 2.046 1.00 61.22 H new ATOM 0 HG12 ILE A 54 20.952 -19.618 3.799 1.00 70.55 H new ATOM 0 HG13 ILE A 54 22.587 -19.360 4.373 1.00 70.55 H new ATOM 0 HG21 ILE A 54 21.319 -19.527 0.853 1.00 73.52 H new ATOM 0 HG22 ILE A 54 21.802 -21.221 0.603 1.00 73.52 H new ATOM 0 HG23 ILE A 54 20.498 -20.827 1.749 1.00 73.52 H new ATOM 0 HD11 ILE A 54 21.585 -17.230 3.596 1.00 33.44 H new ATOM 0 HD12 ILE A 54 22.969 -17.678 2.571 1.00 33.44 H new ATOM 0 HD13 ILE A 54 21.308 -17.940 1.988 1.00 33.44 H new ATOM 991 N ASP A 61 28.049 -13.056 3.620 1.00 5.24 N ATOM 992 CA ASP A 61 26.971 -12.131 3.947 1.00 62.30 C ATOM 993 C ASP A 61 26.711 -11.142 2.822 1.00 23.25 C ATOM 994 O ASP A 61 25.634 -10.564 2.724 1.00 41.02 O ATOM 995 CB ASP A 61 27.266 -11.380 5.255 1.00 4.03 C ATOM 996 CG ASP A 61 28.517 -10.522 5.134 1.00 13.24 C ATOM 997 OD1 ASP A 61 29.341 -10.814 4.289 1.00 33.05 O ATOM 998 OD2 ASP A 61 28.644 -9.591 5.914 1.00 24.14 O ATOM 0 HA ASP A 61 26.070 -12.729 4.081 1.00 62.30 H new ATOM 0 HB2 ASP A 61 26.415 -10.750 5.514 1.00 4.03 H new ATOM 0 HB3 ASP A 61 27.392 -12.096 6.067 1.00 4.03 H new ATOM 1003 N GLN A 62 27.697 -10.926 1.988 1.00 12.52 N ATOM 1004 CA GLN A 62 27.552 -9.960 0.910 1.00 34.33 C ATOM 1005 C GLN A 62 26.552 -10.449 -0.141 1.00 44.45 C ATOM 1006 O GLN A 62 26.131 -9.688 -1.020 1.00 1.43 O ATOM 1007 CB GLN A 62 28.906 -9.634 0.275 1.00 0.02 C ATOM 1008 CG GLN A 62 29.799 -8.928 1.313 1.00 25.23 C ATOM 1009 CD GLN A 62 31.131 -8.537 0.686 1.00 11.12 C ATOM 1010 OE1 GLN A 62 31.152 -7.912 -0.382 1.00 1.45 O ATOM 1011 NE2 GLN A 62 32.245 -8.864 1.267 1.00 15.21 N ATOM 0 H GLN A 62 28.601 -11.396 2.027 1.00 12.52 H new ATOM 0 HA GLN A 62 27.157 -9.040 1.340 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.387 -10.548 -0.073 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.767 -8.995 -0.597 1.00 0.02 H new ATOM 0 HG2 GLN A 62 29.294 -8.040 1.693 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.970 -9.587 2.164 1.00 25.23 H new ATOM 0 HE21 GLN A 62 32.229 -9.379 2.147 1.00 15.21 H new ATOM 0 HE22 GLN A 62 33.136 -8.606 0.843 1.00 15.21 H new ATOM 1020 N GLU A 63 26.142 -11.705 -0.023 1.00 4.31 N ATOM 1021 CA GLU A 63 25.153 -12.286 -0.930 1.00 63.23 C ATOM 1022 C GLU A 63 23.811 -11.559 -0.833 1.00 22.23 C ATOM 1023 O GLU A 63 23.383 -11.167 0.257 1.00 10.12 O ATOM 1024 CB GLU A 63 24.933 -13.763 -0.583 1.00 4.24 C ATOM 1025 CG GLU A 63 26.097 -14.644 -1.061 1.00 13.54 C ATOM 1026 CD GLU A 63 26.132 -14.752 -2.584 1.00 55.25 C ATOM 1027 OE1 GLU A 63 25.194 -14.321 -3.225 1.00 51.42 O ATOM 1028 OE2 GLU A 63 27.091 -15.294 -3.089 1.00 33.23 O ATOM 0 H GLU A 63 26.479 -12.346 0.695 1.00 4.31 H new ATOM 0 HA GLU A 63 25.537 -12.185 -1.945 1.00 63.23 H new ATOM 0 HB2 GLU A 63 24.817 -13.869 0.496 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.005 -14.109 -1.039 1.00 4.24 H new ATOM 0 HG2 GLU A 63 27.039 -14.229 -0.703 1.00 13.54 H new ATOM 0 HG3 GLU A 63 26.003 -15.639 -0.627 1.00 13.54 H new ATOM 1035 N THR A 64 23.096 -11.515 -1.950 1.00 35.12 N ATOM 1036 CA THR A 64 21.720 -11.018 -1.964 1.00 71.14 C ATOM 1037 C THR A 64 20.832 -12.062 -1.291 1.00 54.02 C ATOM 1038 O THR A 64 21.140 -13.256 -1.350 1.00 2.04 O ATOM 1039 CB THR A 64 21.247 -10.821 -3.415 1.00 71.33 C ATOM 1040 OG1 THR A 64 22.329 -11.083 -4.308 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.746 -9.388 -3.607 1.00 70.13 C ATOM 0 H THR A 64 23.444 -11.817 -2.860 1.00 35.12 H new ATOM 0 HA THR A 64 21.665 -10.064 -1.439 1.00 71.14 H new ATOM 0 HB THR A 64 20.431 -11.512 -3.627 1.00 71.33 H new ATOM 0 HG1 THR A 64 22.552 -12.037 -4.281 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.412 -9.254 -4.636 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.914 -9.199 -2.928 1.00 70.13 H new ATOM 0 HG23 THR A 64 21.554 -8.688 -3.394 1.00 70.13 H new ATOM 1049 N LEU A 65 19.736 -11.647 -0.687 1.00 11.25 N ATOM 1050 CA LEU A 65 18.849 -12.598 -0.032 1.00 22.02 C ATOM 1051 C LEU A 65 18.309 -13.574 -1.063 1.00 11.33 C ATOM 1052 O LEU A 65 18.314 -14.786 -0.853 1.00 62.22 O ATOM 1053 CB LEU A 65 17.699 -11.882 0.679 1.00 34.52 C ATOM 1054 CG LEU A 65 18.260 -11.002 1.814 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.119 -10.397 2.613 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.165 -11.815 2.738 1.00 30.03 C ATOM 0 H LEU A 65 19.438 -10.673 -0.634 1.00 11.25 H new ATOM 0 HA LEU A 65 19.416 -13.142 0.723 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.145 -11.268 -0.031 1.00 34.52 H new ATOM 0 HB3 LEU A 65 16.998 -12.612 1.084 1.00 34.52 H new ATOM 0 HG LEU A 65 18.852 -10.204 1.367 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.524 -9.777 3.413 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.500 -9.785 1.957 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.513 -11.194 3.043 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.548 -11.172 3.530 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.595 -12.633 3.178 1.00 30.03 H new ATOM 0 HD23 LEU A 65 19.999 -12.221 2.165 1.00 30.03 H new ATOM 1068 N HIS A 66 17.974 -13.048 -2.223 1.00 73.23 N ATOM 1069 CA HIS A 66 17.550 -13.879 -3.339 1.00 34.14 C ATOM 1070 C HIS A 66 18.608 -14.932 -3.622 1.00 10.32 C ATOM 1071 O HIS A 66 18.290 -16.040 -4.040 1.00 1.13 O ATOM 1072 CB HIS A 66 17.327 -13.022 -4.594 1.00 25.42 C ATOM 1073 CG HIS A 66 16.750 -13.860 -5.712 1.00 52.33 C ATOM 1074 ND1 HIS A 66 17.093 -15.195 -5.904 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.881 -13.551 -6.730 1.00 15.50 C ATOM 1076 CE1 HIS A 66 16.442 -15.625 -7.001 1.00 44.55 C ATOM 1077 NE2 HIS A 66 15.691 -14.660 -7.542 1.00 53.54 N ATOM 0 H HIS A 66 17.986 -12.048 -2.421 1.00 73.23 H new ATOM 0 HA HIS A 66 16.611 -14.365 -3.076 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.652 -12.198 -4.364 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.271 -12.581 -4.913 1.00 25.42 H new ATOM 0 HD1 HIS A 66 17.722 -15.746 -5.321 1.00 11.11 H new ATOM 0 HD2 HIS A 66 15.415 -12.588 -6.877 1.00 15.50 H new ATOM 0 HE1 HIS A 66 16.517 -16.627 -7.396 1.00 44.55 H new ATOM 1086 N SER A 67 19.866 -14.575 -3.428 1.00 14.51 N ATOM 1087 CA SER A 67 20.967 -15.483 -3.719 1.00 21.22 C ATOM 1088 C SER A 67 20.817 -16.771 -2.899 1.00 5.04 C ATOM 1089 O SER A 67 21.196 -17.852 -3.350 1.00 31.30 O ATOM 1090 CB SER A 67 22.302 -14.806 -3.409 1.00 53.23 C ATOM 1091 OG SER A 67 22.185 -13.401 -3.642 1.00 52.30 O ATOM 0 H SER A 67 20.152 -13.664 -3.070 1.00 14.51 H new ATOM 0 HA SER A 67 20.945 -15.739 -4.778 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.585 -14.992 -2.373 1.00 53.23 H new ATOM 0 HB3 SER A 67 23.090 -15.226 -4.035 1.00 53.23 H new ATOM 0 HG SER A 67 21.528 -13.241 -4.352 1.00 52.30 H new ATOM 1097 N HIS A 68 20.165 -16.657 -1.740 1.00 71.23 N ATOM 1098 CA HIS A 68 19.838 -17.835 -0.933 1.00 44.15 C ATOM 1099 C HIS A 68 18.800 -18.660 -1.675 1.00 51.40 C ATOM 1100 O HIS A 68 18.766 -19.881 -1.562 1.00 71.43 O ATOM 1101 CB HIS A 68 19.305 -17.400 0.471 1.00 24.14 C ATOM 1102 CG HIS A 68 18.610 -18.546 1.215 1.00 33.13 C ATOM 1103 ND1 HIS A 68 18.589 -19.855 0.754 1.00 40.22 N ATOM 1104 CD2 HIS A 68 17.896 -18.565 2.396 1.00 74.41 C ATOM 1105 CE1 HIS A 68 17.892 -20.593 1.638 1.00 31.20 C ATOM 1106 NE2 HIS A 68 17.445 -19.859 2.657 1.00 62.11 N ATOM 0 H HIS A 68 19.855 -15.770 -1.342 1.00 71.23 H new ATOM 0 HA HIS A 68 20.733 -18.438 -0.775 1.00 44.15 H new ATOM 0 HB2 HIS A 68 20.135 -17.031 1.073 1.00 24.14 H new ATOM 0 HB3 HIS A 68 18.606 -16.572 0.350 1.00 24.14 H new ATOM 0 HD1 HIS A 68 19.024 -20.197 -0.103 1.00 40.22 H new ATOM 0 HD2 HIS A 68 17.714 -17.706 3.025 1.00 74.41 H new ATOM 0 HE1 HIS A 68 17.716 -21.653 1.534 1.00 31.20 H new ATOM 0 HE2 HIS A 68 16.893 -20.175 3.454 1.00 62.11 H new ATOM 1115 N GLY A 69 17.981 -17.985 -2.447 1.00 24.31 N ATOM 1116 CA GLY A 69 16.919 -18.626 -3.194 1.00 1.43 C ATOM 1117 C GLY A 69 15.583 -18.112 -2.708 1.00 24.22 C ATOM 1118 O GLY A 69 14.533 -18.485 -3.227 1.00 54.34 O ATOM 0 H GLY A 69 18.031 -16.974 -2.576 1.00 24.31 H new ATOM 0 HA2 GLY A 69 17.034 -18.422 -4.259 1.00 1.43 H new ATOM 0 HA3 GLY A 69 16.973 -19.707 -3.069 1.00 1.43 H new ATOM 1122 N VAL A 70 15.632 -17.241 -1.705 1.00 14.11 N ATOM 1123 CA VAL A 70 14.436 -16.649 -1.134 1.00 2.23 C ATOM 1124 C VAL A 70 13.898 -15.602 -2.086 1.00 63.41 C ATOM 1125 O VAL A 70 14.398 -14.478 -2.126 1.00 21.42 O ATOM 1126 CB VAL A 70 14.771 -15.982 0.212 1.00 22.03 C ATOM 1127 CG1 VAL A 70 13.494 -15.763 1.030 1.00 73.22 C ATOM 1128 CG2 VAL A 70 15.760 -16.846 1.005 1.00 4.51 C ATOM 0 H VAL A 70 16.500 -16.929 -1.269 1.00 14.11 H new ATOM 0 HA VAL A 70 13.691 -17.428 -0.974 1.00 2.23 H new ATOM 0 HB VAL A 70 15.232 -15.015 0.012 1.00 22.03 H new ATOM 0 HG11 VAL A 70 13.747 -15.291 1.979 1.00 73.22 H new ATOM 0 HG12 VAL A 70 12.812 -15.119 0.474 1.00 73.22 H new ATOM 0 HG13 VAL A 70 13.014 -16.723 1.219 1.00 73.22 H new ATOM 0 HG21 VAL A 70 15.987 -16.361 1.954 1.00 4.51 H new ATOM 0 HG22 VAL A 70 15.318 -17.824 1.194 1.00 4.51 H new ATOM 0 HG23 VAL A 70 16.679 -16.968 0.431 1.00 4.51 H new ATOM 1138 N ARG A 71 12.906 -15.973 -2.865 1.00 60.24 N ATOM 1139 CA ARG A 71 12.313 -15.052 -3.818 1.00 5.14 C ATOM 1140 C ARG A 71 10.952 -14.617 -3.291 1.00 73.44 C ATOM 1141 O ARG A 71 10.331 -13.682 -3.809 1.00 42.30 O ATOM 1142 CB ARG A 71 12.119 -15.767 -5.159 1.00 72.31 C ATOM 1143 CG ARG A 71 13.461 -16.328 -5.644 1.00 42.42 C ATOM 1144 CD ARG A 71 13.273 -17.000 -7.011 1.00 13.23 C ATOM 1145 NE ARG A 71 12.320 -18.111 -6.923 1.00 43.00 N ATOM 1146 CZ ARG A 71 12.639 -19.295 -6.394 1.00 42.14 C ATOM 1147 NH1 ARG A 71 13.823 -19.484 -5.887 1.00 15.55 N ATOM 1148 NH2 ARG A 71 11.764 -20.255 -6.382 1.00 31.11 N ATOM 0 H ARG A 71 12.491 -16.905 -2.860 1.00 60.24 H new ATOM 0 HA ARG A 71 12.962 -14.187 -3.953 1.00 5.14 H new ATOM 0 HB2 ARG A 71 11.394 -16.574 -5.050 1.00 72.31 H new ATOM 0 HB3 ARG A 71 11.716 -15.074 -5.897 1.00 72.31 H new ATOM 0 HG2 ARG A 71 14.196 -15.527 -5.719 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.848 -17.048 -4.923 1.00 42.42 H new ATOM 0 HD2 ARG A 71 12.917 -16.267 -7.735 1.00 13.23 H new ATOM 0 HD3 ARG A 71 14.233 -17.367 -7.375 1.00 13.23 H new ATOM 0 HE ARG A 71 11.375 -17.974 -7.281 1.00 43.00 H new ATOM 0 HH11 ARG A 71 14.507 -18.728 -5.894 1.00 15.55 H new ATOM 0 HH12 ARG A 71 14.066 -20.388 -5.483 1.00 15.55 H new ATOM 0 HH21 ARG A 71 10.835 -20.104 -6.776 1.00 31.11 H new ATOM 0 HH22 ARG A 71 12.005 -21.160 -5.978 1.00 31.11 H new ATOM 1162 N GLN A 72 10.459 -15.379 -2.324 1.00 22.33 N ATOM 1163 CA GLN A 72 9.124 -15.211 -1.777 1.00 11.22 C ATOM 1164 C GLN A 72 9.148 -15.386 -0.263 1.00 63.41 C ATOM 1165 O GLN A 72 10.150 -15.812 0.302 1.00 54.20 O ATOM 1166 CB GLN A 72 8.179 -16.247 -2.403 1.00 72.22 C ATOM 1167 CG GLN A 72 8.712 -17.670 -2.141 1.00 11.44 C ATOM 1168 CD GLN A 72 9.906 -17.969 -3.047 1.00 64.24 C ATOM 1169 OE1 GLN A 72 11.060 -17.761 -2.652 1.00 55.53 O ATOM 1170 NE2 GLN A 72 9.705 -18.431 -4.240 1.00 55.43 N ATOM 0 H GLN A 72 10.984 -16.140 -1.893 1.00 22.33 H new ATOM 0 HA GLN A 72 8.769 -14.207 -2.009 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.179 -16.141 -1.982 1.00 72.22 H new ATOM 0 HB3 GLN A 72 8.094 -16.073 -3.476 1.00 72.22 H new ATOM 0 HG2 GLN A 72 9.007 -17.768 -1.096 1.00 11.44 H new ATOM 0 HG3 GLN A 72 7.922 -18.399 -2.318 1.00 11.44 H new ATOM 0 HE21 GLN A 72 8.754 -18.603 -4.567 1.00 55.43 H new ATOM 0 HE22 GLN A 72 10.497 -18.623 -4.853 1.00 55.43 H new ATOM 1179 N ASN A 73 8.034 -15.093 0.380 1.00 71.53 N ATOM 1180 CA ASN A 73 7.925 -15.244 1.827 1.00 20.42 C ATOM 1181 C ASN A 73 7.736 -16.701 2.183 1.00 52.02 C ATOM 1182 O ASN A 73 7.260 -17.493 1.361 1.00 44.32 O ATOM 1183 CB ASN A 73 6.738 -14.419 2.374 1.00 43.42 C ATOM 1184 CG ASN A 73 5.470 -15.259 2.428 1.00 52.31 C ATOM 1185 OD1 ASN A 73 4.938 -15.503 3.509 1.00 70.33 O ATOM 1186 ND2 ASN A 73 4.959 -15.717 1.338 1.00 55.51 N ATOM 0 H ASN A 73 7.188 -14.748 -0.073 1.00 71.53 H new ATOM 0 HA ASN A 73 8.846 -14.877 2.280 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.976 -14.049 3.371 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.574 -13.547 1.741 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.111 -16.283 1.371 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.402 -15.513 0.442 1.00 55.51 H new ATOM 1193 N GLY A 74 8.035 -17.037 3.418 1.00 42.33 N ATOM 1194 CA GLY A 74 7.831 -18.383 3.906 1.00 72.21 C ATOM 1195 C GLY A 74 9.063 -19.245 3.718 1.00 53.51 C ATOM 1196 O GLY A 74 9.022 -20.455 3.978 1.00 53.41 O ATOM 0 H GLY A 74 8.423 -16.392 4.107 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.569 -18.350 4.964 1.00 72.21 H new ATOM 0 HA3 GLY A 74 6.988 -18.835 3.383 1.00 72.21 H new ATOM 1200 N ASP A 75 10.167 -18.641 3.289 1.00 74.32 N ATOM 1201 CA ASP A 75 11.408 -19.393 3.159 1.00 40.23 C ATOM 1202 C ASP A 75 12.161 -19.385 4.475 1.00 33.23 C ATOM 1203 O ASP A 75 11.767 -18.695 5.422 1.00 22.31 O ATOM 1204 CB ASP A 75 12.293 -18.865 2.028 1.00 54.44 C ATOM 1205 CG ASP A 75 13.033 -20.025 1.388 1.00 32.10 C ATOM 1206 OD1 ASP A 75 13.579 -20.835 2.116 1.00 43.04 O ATOM 1207 OD2 ASP A 75 13.032 -20.106 0.181 1.00 41.44 O ATOM 0 H ASP A 75 10.228 -17.656 3.031 1.00 74.32 H new ATOM 0 HA ASP A 75 11.144 -20.419 2.901 1.00 40.23 H new ATOM 0 HB2 ASP A 75 11.684 -18.352 1.284 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.003 -18.135 2.417 1.00 54.44 H new ATOM 1212 N SER A 76 13.241 -20.137 4.544 1.00 54.11 N ATOM 1213 CA SER A 76 13.999 -20.235 5.775 1.00 54.23 C ATOM 1214 C SER A 76 15.517 -20.238 5.542 1.00 1.51 C ATOM 1215 O SER A 76 15.998 -20.569 4.447 1.00 74.44 O ATOM 1216 CB SER A 76 13.548 -21.472 6.563 1.00 52.41 C ATOM 1217 OG SER A 76 13.427 -22.588 5.681 1.00 21.32 O ATOM 0 H SER A 76 13.612 -20.686 3.768 1.00 54.11 H new ATOM 0 HA SER A 76 13.792 -19.341 6.364 1.00 54.23 H new ATOM 0 HB2 SER A 76 14.268 -21.695 7.351 1.00 52.41 H new ATOM 0 HB3 SER A 76 12.593 -21.276 7.050 1.00 52.41 H new ATOM 0 HG SER A 76 13.141 -23.376 6.188 1.00 21.32 H new ATOM 1223 N ALA A 77 16.265 -19.852 6.574 1.00 33.13 N ATOM 1224 CA ALA A 77 17.732 -19.809 6.526 1.00 74.42 C ATOM 1225 C ALA A 77 18.307 -20.422 7.796 1.00 71.15 C ATOM 1226 O ALA A 77 17.565 -20.693 8.746 1.00 14.41 O ATOM 1227 CB ALA A 77 18.222 -18.367 6.373 1.00 5.24 C ATOM 0 H ALA A 77 15.874 -19.559 7.470 1.00 33.13 H new ATOM 0 HA ALA A 77 18.071 -20.383 5.664 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.311 -18.355 6.339 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.825 -17.944 5.450 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.878 -17.774 7.221 1.00 5.24 H new ATOM 1233 N TYR A 78 19.603 -20.707 7.796 1.00 12.02 N ATOM 1234 CA TYR A 78 20.220 -21.403 8.925 1.00 11.21 C ATOM 1235 C TYR A 78 21.308 -20.548 9.579 1.00 11.53 C ATOM 1236 O TYR A 78 22.317 -20.224 8.946 1.00 70.42 O ATOM 1237 CB TYR A 78 20.835 -22.719 8.421 1.00 33.45 C ATOM 1238 CG TYR A 78 20.640 -23.834 9.426 1.00 43.33 C ATOM 1239 CD1 TYR A 78 19.400 -24.474 9.513 1.00 61.00 C ATOM 1240 CD2 TYR A 78 21.697 -24.249 10.248 1.00 21.22 C ATOM 1241 CE1 TYR A 78 19.205 -25.518 10.416 1.00 1.34 C ATOM 1242 CE2 TYR A 78 21.503 -25.306 11.154 1.00 41.13 C ATOM 1243 CZ TYR A 78 20.253 -25.938 11.238 1.00 43.02 C ATOM 1244 OH TYR A 78 20.052 -26.984 12.115 1.00 40.42 O ATOM 0 H TYR A 78 20.243 -20.472 7.038 1.00 12.02 H new ATOM 0 HA TYR A 78 19.453 -21.602 9.673 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.377 -22.997 7.472 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.899 -22.578 8.233 1.00 33.45 H new ATOM 0 HD1 TYR A 78 18.587 -24.157 8.876 1.00 61.00 H new ATOM 0 HD2 TYR A 78 22.657 -23.758 10.185 1.00 21.22 H new ATOM 0 HE1 TYR A 78 18.242 -26.003 10.480 1.00 1.34 H new ATOM 0 HE2 TYR A 78 22.316 -25.632 11.786 1.00 41.13 H new ATOM 0 HH TYR A 78 20.817 -27.052 12.723 1.00 40.42 H new ATOM 1254 N LEU A 79 21.157 -20.310 10.877 1.00 25.24 N ATOM 1255 CA LEU A 79 22.183 -19.647 11.680 1.00 53.21 C ATOM 1256 C LEU A 79 22.823 -20.593 12.655 1.00 53.55 C ATOM 1257 O LEU A 79 22.146 -21.192 13.496 1.00 62.25 O ATOM 1258 CB LEU A 79 21.636 -18.431 12.441 1.00 53.33 C ATOM 1259 CG LEU A 79 21.847 -17.158 11.628 1.00 44.43 C ATOM 1260 CD1 LEU A 79 21.116 -15.998 12.307 1.00 75.51 C ATOM 1261 CD2 LEU A 79 23.353 -16.846 11.595 1.00 71.21 C ATOM 0 H LEU A 79 20.323 -20.570 11.403 1.00 25.24 H new ATOM 0 HA LEU A 79 22.935 -19.300 10.971 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.574 -18.569 12.645 1.00 53.33 H new ATOM 0 HB3 LEU A 79 22.136 -18.342 13.405 1.00 53.33 H new ATOM 0 HG LEU A 79 21.463 -17.292 10.617 1.00 44.43 H new ATOM 0 HD11 LEU A 79 21.264 -15.086 11.729 1.00 75.51 H new ATOM 0 HD12 LEU A 79 20.051 -16.222 12.364 1.00 75.51 H new ATOM 0 HD13 LEU A 79 21.511 -15.858 13.313 1.00 75.51 H new ATOM 0 HD21 LEU A 79 23.524 -15.938 11.017 1.00 71.21 H new ATOM 0 HD22 LEU A 79 23.717 -16.703 12.612 1.00 71.21 H new ATOM 0 HD23 LEU A 79 23.886 -17.676 11.132 1.00 71.21 H new ATOM 1273 N TYR A 80 24.131 -20.599 12.646 1.00 5.12 N ATOM 1274 CA TYR A 80 24.898 -21.341 13.614 1.00 41.02 C ATOM 1275 C TYR A 80 25.593 -20.341 14.518 1.00 42.44 C ATOM 1276 O TYR A 80 26.454 -19.587 14.060 1.00 55.24 O ATOM 1277 CB TYR A 80 25.937 -22.191 12.881 1.00 20.13 C ATOM 1278 CG TYR A 80 26.566 -23.164 13.837 1.00 72.33 C ATOM 1279 CD1 TYR A 80 27.626 -22.754 14.643 1.00 32.42 C ATOM 1280 CD2 TYR A 80 26.083 -24.475 13.920 1.00 60.13 C ATOM 1281 CE1 TYR A 80 28.212 -23.658 15.535 1.00 4.45 C ATOM 1282 CE2 TYR A 80 26.667 -25.376 14.807 1.00 34.21 C ATOM 1283 CZ TYR A 80 27.731 -24.969 15.614 1.00 1.20 C ATOM 1284 OH TYR A 80 28.312 -25.858 16.493 1.00 2.11 O ATOM 0 H TYR A 80 24.695 -20.089 11.967 1.00 5.12 H new ATOM 0 HA TYR A 80 24.256 -21.997 14.202 1.00 41.02 H new ATOM 0 HB2 TYR A 80 25.465 -22.729 12.059 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.703 -21.549 12.445 1.00 20.13 H new ATOM 0 HD1 TYR A 80 27.994 -21.741 14.579 1.00 32.42 H new ATOM 0 HD2 TYR A 80 25.258 -24.788 13.297 1.00 60.13 H new ATOM 0 HE1 TYR A 80 29.034 -23.344 16.161 1.00 4.45 H new ATOM 0 HE2 TYR A 80 26.297 -26.389 14.870 1.00 34.21 H new ATOM 0 HH TYR A 80 27.861 -26.726 16.426 1.00 2.11 H new ATOM 1294 N LEU A 81 25.182 -20.283 15.774 1.00 0.03 N ATOM 1295 CA LEU A 81 25.726 -19.299 16.700 1.00 31.14 C ATOM 1296 C LEU A 81 26.589 -19.956 17.751 1.00 52.43 C ATOM 1297 O LEU A 81 26.218 -20.986 18.325 1.00 25.33 O ATOM 1298 CB LEU A 81 24.605 -18.503 17.382 1.00 11.44 C ATOM 1299 CG LEU A 81 23.726 -17.806 16.333 1.00 63.32 C ATOM 1300 CD1 LEU A 81 22.603 -17.042 17.027 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.554 -16.827 15.500 1.00 62.13 C ATOM 0 H LEU A 81 24.477 -20.901 16.176 1.00 0.03 H new ATOM 0 HA LEU A 81 26.342 -18.615 16.117 1.00 31.14 H new ATOM 0 HB2 LEU A 81 23.995 -19.171 17.991 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.035 -17.762 18.055 1.00 11.44 H new ATOM 0 HG LEU A 81 23.307 -18.568 15.675 1.00 63.32 H new ATOM 0 HD11 LEU A 81 21.982 -16.549 16.279 1.00 74.33 H new ATOM 0 HD12 LEU A 81 21.993 -17.737 17.604 1.00 74.33 H new ATOM 0 HD13 LEU A 81 23.030 -16.293 17.694 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.913 -16.344 14.763 1.00 62.13 H new ATOM 0 HD22 LEU A 81 24.989 -16.071 16.153 1.00 62.13 H new ATOM 0 HD23 LEU A 81 25.351 -17.367 14.989 1.00 62.13 H new ATOM 1313 N LEU A 82 27.698 -19.313 18.050 1.00 41.20 N ATOM 1314 CA LEU A 82 28.606 -19.773 19.097 1.00 33.24 C ATOM 1315 C LEU A 82 28.262 -19.091 20.398 1.00 52.35 C ATOM 1316 O LEU A 82 27.484 -18.129 20.411 1.00 61.23 O ATOM 1317 CB LEU A 82 30.069 -19.482 18.725 1.00 34.41 C ATOM 1318 CG LEU A 82 30.604 -20.550 17.755 1.00 5.31 C ATOM 1319 CD1 LEU A 82 30.795 -21.882 18.492 1.00 4.22 C ATOM 1320 CD2 LEU A 82 29.634 -20.743 16.587 1.00 74.54 C ATOM 0 H LEU A 82 28.001 -18.460 17.580 1.00 41.20 H new ATOM 0 HA LEU A 82 28.491 -20.851 19.206 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.144 -18.496 18.266 1.00 34.41 H new ATOM 0 HB3 LEU A 82 30.682 -19.462 19.626 1.00 34.41 H new ATOM 0 HG LEU A 82 31.565 -20.213 17.365 1.00 5.31 H new ATOM 0 HD11 LEU A 82 31.174 -22.631 17.797 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.508 -21.749 19.306 1.00 4.22 H new ATOM 0 HD13 LEU A 82 29.839 -22.214 18.898 1.00 4.22 H new ATOM 0 HD21 LEU A 82 30.026 -21.501 15.910 1.00 74.54 H new ATOM 0 HD22 LEU A 82 28.665 -21.064 16.968 1.00 74.54 H new ATOM 0 HD23 LEU A 82 29.519 -19.801 16.050 1.00 74.54 H new