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 Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 17 MET CE :methyl 148:sc= -0.0949 (180deg=-0.836) USER MOD Single : A 18 HIS : no HE2:sc= -2.56! C(o=-2.6!,f=-10!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 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 -156:sc= -0.511 (180deg=-1.44) USER MOD Single : A 31 THR OG1 : rot -130:sc= 1.13 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= 0.832 (180deg=-1.5!) USER MOD Single : A 38 MET CE :methyl -143:sc= -1.05 (180deg=-4.14!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 1.68 K(o=1.7,f=-10!) USER MOD Single : A 51 GLN :FLIP amide:sc= -3.24! C(o=-5.1!,f=-3.2!) USER MOD Single : A 62 GLN : amide:sc= 0.788 K(o=0.79,f=-0.62) USER MOD Single : A 64 THR OG1 : rot 88:sc= 1.06 USER MOD Single : A 66 HIS : no HD1:sc= -0.0886 X(o=-0.089,f=-0.092) USER MOD Single : A 67 SER OG : rot -98:sc= 0.737 USER MOD Single : A 68 HIS : no HE2:sc= -3.33! X(o=-3.3!,f=-3.3) USER MOD Single : A 72 GLN : amide:sc= -1.58! X(o=-1.6!,f=-1.1) USER MOD Single : A 73 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.4) USER MOD Single : A 76 SER OG : rot -73:sc= 1.2 USER MOD Single : A 78 TYR OH : rot 166:sc= 0.719 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 5 7.861 -6.671 0.821 1.00 70.34 N ATOM 66 CA ASP A 5 8.812 -7.336 1.662 1.00 52.01 C ATOM 67 C ASP A 5 8.316 -8.728 1.910 1.00 14.04 C ATOM 68 O ASP A 5 7.125 -9.004 1.740 1.00 34.30 O ATOM 69 CB ASP A 5 8.982 -6.602 2.984 1.00 72.04 C ATOM 70 CG ASP A 5 9.696 -5.297 2.746 1.00 32.43 C ATOM 71 OD1 ASP A 5 9.048 -4.357 2.335 1.00 63.22 O ATOM 72 OD2 ASP A 5 10.888 -5.252 2.940 1.00 71.24 O ATOM 0 HA ASP A 5 9.784 -7.355 1.169 1.00 52.01 H new ATOM 0 HB2 ASP A 5 8.008 -6.418 3.438 1.00 72.04 H new ATOM 0 HB3 ASP A 5 9.549 -7.217 3.683 1.00 72.04 H new ATOM 77 N ILE A 6 9.201 -9.600 2.287 1.00 61.21 N ATOM 78 CA ILE A 6 8.839 -10.969 2.529 1.00 73.32 C ATOM 79 C ILE A 6 9.297 -11.382 3.904 1.00 11.45 C ATOM 80 O ILE A 6 10.231 -10.792 4.458 1.00 13.11 O ATOM 81 CB ILE A 6 9.458 -11.872 1.456 1.00 22.15 C ATOM 82 CG1 ILE A 6 10.989 -11.795 1.520 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.001 -11.389 0.077 1.00 61.31 C ATOM 84 CD1 ILE A 6 11.582 -12.844 0.582 1.00 10.12 C ATOM 0 H ILE A 6 10.188 -9.388 2.435 1.00 61.21 H new ATOM 0 HA ILE A 6 7.755 -11.070 2.479 1.00 73.32 H new ATOM 0 HB ILE A 6 9.140 -12.900 1.627 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.328 -10.800 1.233 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.332 -11.966 2.540 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.436 -12.025 -0.694 1.00 61.31 H new ATOM 0 HG22 ILE A 6 7.914 -11.437 0.016 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.327 -10.360 -0.075 1.00 61.31 H new ATOM 0 HD11 ILE A 6 12.670 -12.795 0.623 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.252 -13.836 0.890 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.248 -12.651 -0.437 1.00 10.12 H new ATOM 96 N ARG A 7 8.661 -12.400 4.449 1.00 43.32 N ATOM 97 CA ARG A 7 9.038 -12.886 5.754 1.00 44.44 C ATOM 98 C ARG A 7 10.031 -14.012 5.589 1.00 14.40 C ATOM 99 O ARG A 7 9.712 -15.039 4.983 1.00 73.14 O ATOM 100 CB ARG A 7 7.812 -13.394 6.526 1.00 13.53 C ATOM 101 CG ARG A 7 6.760 -12.281 6.632 1.00 74.33 C ATOM 102 CD ARG A 7 5.655 -12.720 7.597 1.00 62.21 C ATOM 103 NE ARG A 7 5.029 -13.962 7.144 1.00 62.41 N ATOM 104 CZ ARG A 7 3.998 -13.981 6.301 1.00 20.20 C ATOM 105 NH1 ARG A 7 3.541 -12.869 5.805 1.00 41.23 N ATOM 106 NH2 ARG A 7 3.454 -15.114 5.967 1.00 33.44 N ATOM 0 H ARG A 7 7.888 -12.901 4.010 1.00 43.32 H new ATOM 0 HA ARG A 7 9.483 -12.068 6.320 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.387 -14.261 6.020 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.109 -13.721 7.522 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.223 -11.360 6.986 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.338 -12.069 5.650 1.00 74.33 H new ATOM 0 HD2 ARG A 7 6.072 -12.861 8.594 1.00 62.21 H new ATOM 0 HD3 ARG A 7 4.902 -11.936 7.675 1.00 62.21 H new ATOM 0 HE ARG A 7 5.397 -14.849 7.488 1.00 62.41 H new ATOM 0 HH11 ARG A 7 3.972 -11.981 6.061 1.00 41.23 H new ATOM 0 HH12 ARG A 7 2.751 -12.885 5.160 1.00 41.23 H new ATOM 0 HH21 ARG A 7 3.817 -15.987 6.351 1.00 33.44 H new ATOM 0 HH22 ARG A 7 2.664 -15.130 5.322 1.00 33.44 H new ATOM 120 N LEU A 8 11.215 -13.819 6.124 1.00 14.31 N ATOM 121 CA LEU A 8 12.272 -14.808 6.048 1.00 32.33 C ATOM 122 C LEU A 8 12.457 -15.447 7.405 1.00 71.45 C ATOM 123 O LEU A 8 12.678 -14.743 8.403 1.00 32.14 O ATOM 124 CB LEU A 8 13.587 -14.130 5.594 1.00 51.41 C ATOM 125 CG LEU A 8 14.724 -15.158 5.342 1.00 41.23 C ATOM 126 CD1 LEU A 8 15.486 -15.434 6.639 1.00 43.15 C ATOM 127 CD2 LEU A 8 14.176 -16.471 4.771 1.00 70.54 C ATOM 0 H LEU A 8 11.475 -12.970 6.626 1.00 14.31 H new ATOM 0 HA LEU A 8 12.004 -15.577 5.324 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.404 -13.563 4.681 1.00 51.41 H new ATOM 0 HB3 LEU A 8 13.907 -13.417 6.354 1.00 51.41 H new ATOM 0 HG LEU A 8 15.404 -14.726 4.608 1.00 41.23 H new ATOM 0 HD11 LEU A 8 16.280 -16.156 6.448 1.00 43.15 H new ATOM 0 HD12 LEU A 8 15.921 -14.506 7.010 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.801 -15.837 7.385 1.00 43.15 H new ATOM 0 HD21 LEU A 8 14.998 -17.168 4.607 1.00 70.54 H new ATOM 0 HD22 LEU A 8 13.467 -16.906 5.475 1.00 70.54 H new ATOM 0 HD23 LEU A 8 13.673 -16.274 3.824 1.00 70.54 H new ATOM 139 N TRP A 9 12.376 -16.767 7.456 1.00 31.14 N ATOM 140 CA TRP A 9 12.586 -17.471 8.709 1.00 63.14 C ATOM 141 C TRP A 9 14.035 -17.820 8.832 1.00 61.44 C ATOM 142 O TRP A 9 14.611 -18.405 7.910 1.00 73.50 O ATOM 143 CB TRP A 9 11.815 -18.788 8.757 1.00 41.11 C ATOM 144 CG TRP A 9 10.418 -18.633 8.298 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.683 -17.508 8.353 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.583 -19.641 7.707 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.428 -17.777 7.842 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.325 -19.085 7.425 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.804 -20.983 7.395 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.312 -19.841 6.850 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.801 -21.746 6.814 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.550 -21.177 6.539 1.00 21.20 C ATOM 0 H TRP A 9 12.169 -17.365 6.656 1.00 31.14 H new ATOM 0 HA TRP A 9 12.244 -16.817 9.511 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.321 -19.526 8.135 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.820 -19.173 9.777 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.018 -16.554 8.733 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.673 -17.093 7.781 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.763 -21.431 7.607 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.349 -19.397 6.646 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.985 -22.782 6.573 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.772 -21.774 6.087 1.00 21.20 H new ATOM 163 N VAL A 10 14.585 -17.628 10.000 1.00 73.13 N ATOM 164 CA VAL A 10 15.922 -18.094 10.248 1.00 21.41 C ATOM 165 C VAL A 10 15.899 -19.141 11.334 1.00 54.12 C ATOM 166 O VAL A 10 15.487 -18.862 12.469 1.00 12.11 O ATOM 167 CB VAL A 10 16.843 -16.937 10.640 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.299 -17.319 10.357 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.485 -15.692 9.828 1.00 2.31 C ATOM 0 H VAL A 10 14.135 -17.158 10.786 1.00 73.13 H new ATOM 0 HA VAL A 10 16.314 -18.535 9.331 1.00 21.41 H new ATOM 0 HB VAL A 10 16.718 -16.728 11.702 1.00 41.13 H new ATOM 0 HG11 VAL A 10 18.953 -16.493 10.637 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.563 -18.203 10.937 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.419 -17.533 9.295 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.144 -14.871 10.111 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.605 -15.904 8.765 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.451 -15.412 10.028 1.00 2.31 H new ATOM 179 N SER A 11 16.383 -20.320 11.007 1.00 71.44 N ATOM 180 CA SER A 11 16.492 -21.386 11.970 1.00 32.15 C ATOM 181 C SER A 11 17.789 -21.208 12.721 1.00 55.14 C ATOM 182 O SER A 11 18.860 -21.349 12.140 1.00 33.30 O ATOM 183 CB SER A 11 16.484 -22.730 11.250 1.00 73.42 C ATOM 184 OG SER A 11 15.499 -22.699 10.215 1.00 53.13 O ATOM 0 H SER A 11 16.709 -20.562 10.071 1.00 71.44 H new ATOM 0 HA SER A 11 15.652 -21.361 12.664 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.467 -22.936 10.827 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.265 -23.533 11.954 1.00 73.42 H new ATOM 0 HG SER A 11 15.490 -23.560 9.747 1.00 53.13 H new ATOM 190 N VAL A 12 17.701 -20.758 13.954 1.00 44.50 N ATOM 191 CA VAL A 12 18.886 -20.403 14.699 1.00 65.33 C ATOM 192 C VAL A 12 19.235 -21.472 15.720 1.00 31.54 C ATOM 193 O VAL A 12 18.434 -21.768 16.623 1.00 45.10 O ATOM 194 CB VAL A 12 18.667 -19.053 15.407 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.012 -18.414 15.762 1.00 53.10 C ATOM 196 CG2 VAL A 12 17.864 -18.105 14.501 1.00 44.14 C ATOM 0 H VAL A 12 16.824 -20.630 14.459 1.00 44.50 H new ATOM 0 HA VAL A 12 19.718 -20.320 14.000 1.00 65.33 H new ATOM 0 HB VAL A 12 18.107 -19.230 16.325 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.841 -17.461 16.262 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.566 -19.078 16.426 1.00 53.10 H new ATOM 0 HG13 VAL A 12 20.588 -18.248 14.851 1.00 53.10 H new ATOM 0 HG21 VAL A 12 17.715 -17.153 15.011 1.00 44.14 H new ATOM 0 HG22 VAL A 12 18.412 -17.937 13.574 1.00 44.14 H new ATOM 0 HG23 VAL A 12 16.896 -18.551 14.275 1.00 44.14 H new ATOM 206 N GLU A 13 20.462 -21.972 15.629 1.00 65.32 N ATOM 207 CA GLU A 13 21.007 -22.896 16.610 1.00 15.40 C ATOM 208 C GLU A 13 22.286 -22.333 17.209 1.00 23.23 C ATOM 209 O GLU A 13 23.213 -21.958 16.474 1.00 42.34 O ATOM 210 CB GLU A 13 21.286 -24.268 15.999 1.00 20.03 C ATOM 211 CG GLU A 13 19.970 -24.976 15.674 1.00 1.01 C ATOM 212 CD GLU A 13 20.257 -26.369 15.159 1.00 64.42 C ATOM 213 OE1 GLU A 13 21.045 -26.493 14.247 1.00 34.31 O ATOM 214 OE2 GLU A 13 19.686 -27.295 15.682 1.00 14.21 O ATOM 0 H GLU A 13 21.106 -21.746 14.871 1.00 65.32 H new ATOM 0 HA GLU A 13 20.260 -23.020 17.394 1.00 15.40 H new ATOM 0 HB2 GLU A 13 21.882 -24.157 15.093 1.00 20.03 H new ATOM 0 HB3 GLU A 13 21.871 -24.872 16.693 1.00 20.03 H new ATOM 0 HG2 GLU A 13 19.344 -25.028 16.565 1.00 1.01 H new ATOM 0 HG3 GLU A 13 19.415 -24.408 14.927 1.00 1.01 H new ATOM 221 N ASP A 14 22.345 -22.266 18.531 1.00 22.33 N ATOM 222 CA ASP A 14 23.530 -21.735 19.201 1.00 31.53 C ATOM 223 C ASP A 14 24.394 -22.837 19.793 1.00 2.03 C ATOM 224 O ASP A 14 23.965 -23.992 19.916 1.00 12.43 O ATOM 225 CB ASP A 14 23.154 -20.683 20.265 1.00 1.42 C ATOM 226 CG ASP A 14 23.496 -21.164 21.660 1.00 22.13 C ATOM 227 OD1 ASP A 14 22.830 -22.044 22.146 1.00 34.20 O ATOM 228 OD2 ASP A 14 24.423 -20.632 22.232 1.00 24.52 O ATOM 0 H ASP A 14 21.598 -22.568 19.157 1.00 22.33 H new ATOM 0 HA ASP A 14 24.128 -21.236 18.438 1.00 31.53 H new ATOM 0 HB2 ASP A 14 23.681 -19.751 20.060 1.00 1.42 H new ATOM 0 HB3 ASP A 14 22.088 -20.466 20.204 1.00 1.42 H new ATOM 233 N ALA A 15 25.602 -22.459 20.188 1.00 64.23 N ATOM 234 CA ALA A 15 26.554 -23.381 20.794 1.00 62.10 C ATOM 235 C ALA A 15 26.026 -23.916 22.107 1.00 0.30 C ATOM 236 O ALA A 15 26.217 -25.083 22.431 1.00 4.10 O ATOM 237 CB ALA A 15 27.903 -22.701 21.008 1.00 72.21 C ATOM 0 H ALA A 15 25.950 -21.505 20.098 1.00 64.23 H new ATOM 0 HA ALA A 15 26.690 -24.218 20.110 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.599 -23.407 21.461 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.298 -22.367 20.049 1.00 72.21 H new ATOM 0 HB3 ALA A 15 27.777 -21.842 21.667 1.00 72.21 H new ATOM 243 N GLN A 16 25.321 -23.079 22.839 1.00 3.31 N ATOM 244 CA GLN A 16 24.712 -23.505 24.089 1.00 70.51 C ATOM 245 C GLN A 16 23.489 -24.384 23.798 1.00 44.44 C ATOM 246 O GLN A 16 22.713 -24.723 24.700 1.00 43.52 O ATOM 247 CB GLN A 16 24.346 -22.295 24.955 1.00 25.04 C ATOM 248 CG GLN A 16 25.609 -21.468 25.248 1.00 60.51 C ATOM 249 CD GLN A 16 26.612 -22.283 26.049 1.00 52.33 C ATOM 250 OE1 GLN A 16 26.294 -22.766 27.134 1.00 42.31 O ATOM 251 NE2 GLN A 16 27.804 -22.474 25.586 1.00 32.13 N ATOM 0 H GLN A 16 25.154 -22.103 22.595 1.00 3.31 H new ATOM 0 HA GLN A 16 25.431 -24.099 24.653 1.00 70.51 H new ATOM 0 HB2 GLN A 16 23.607 -21.679 24.443 1.00 25.04 H new ATOM 0 HB3 GLN A 16 23.892 -22.627 25.889 1.00 25.04 H new ATOM 0 HG2 GLN A 16 26.062 -21.143 24.311 1.00 60.51 H new ATOM 0 HG3 GLN A 16 25.340 -20.568 25.801 1.00 60.51 H new ATOM 0 HE21 GLN A 16 28.072 -22.075 24.686 1.00 32.13 H new ATOM 0 HE22 GLN A 16 28.477 -23.024 26.120 1.00 32.13 H new ATOM 260 N MET A 17 23.361 -24.774 22.528 1.00 5.31 N ATOM 261 CA MET A 17 22.330 -25.695 22.059 1.00 12.12 C ATOM 262 C MET A 17 20.948 -25.060 22.014 1.00 54.32 C ATOM 263 O MET A 17 19.933 -25.769 21.951 1.00 30.13 O ATOM 264 CB MET A 17 22.326 -26.989 22.891 1.00 21.12 C ATOM 265 CG MET A 17 23.637 -27.748 22.642 1.00 2.23 C ATOM 266 SD MET A 17 23.710 -29.208 23.707 1.00 25.23 S ATOM 267 CE MET A 17 22.405 -30.159 22.892 1.00 74.04 C ATOM 0 H MET A 17 23.983 -24.452 21.786 1.00 5.31 H new ATOM 0 HA MET A 17 22.583 -25.951 21.030 1.00 12.12 H new ATOM 0 HB2 MET A 17 22.222 -26.755 23.950 1.00 21.12 H new ATOM 0 HB3 MET A 17 21.473 -27.610 22.617 1.00 21.12 H new ATOM 0 HG2 MET A 17 23.702 -28.046 21.596 1.00 2.23 H new ATOM 0 HG3 MET A 17 24.488 -27.097 22.842 1.00 2.23 H new ATOM 0 HE1 MET A 17 22.630 -31.223 22.966 1.00 74.04 H new ATOM 0 HE2 MET A 17 21.450 -29.956 23.377 1.00 74.04 H new ATOM 0 HE3 MET A 17 22.347 -29.872 21.842 1.00 74.04 H new ATOM 277 N HIS A 18 20.904 -23.738 21.947 1.00 43.51 N ATOM 278 CA HIS A 18 19.634 -23.041 21.802 1.00 22.43 C ATOM 279 C HIS A 18 19.166 -23.172 20.378 1.00 34.12 C ATOM 280 O HIS A 18 19.900 -22.818 19.458 1.00 31.44 O ATOM 281 CB HIS A 18 19.785 -21.551 22.129 1.00 70.50 C ATOM 282 CG HIS A 18 20.098 -21.372 23.580 1.00 40.41 C ATOM 283 ND1 HIS A 18 21.368 -21.565 24.077 1.00 0.13 N ATOM 284 CD2 HIS A 18 19.325 -21.000 24.647 1.00 21.11 C ATOM 285 CE1 HIS A 18 21.327 -21.308 25.402 1.00 21.41 C ATOM 286 NE2 HIS A 18 20.100 -20.959 25.797 1.00 74.45 N ATOM 0 H HIS A 18 21.723 -23.131 21.990 1.00 43.51 H new ATOM 0 HA HIS A 18 18.915 -23.483 22.492 1.00 22.43 H new ATOM 0 HB2 HIS A 18 20.579 -21.116 21.522 1.00 70.50 H new ATOM 0 HB3 HIS A 18 18.866 -21.021 21.879 1.00 70.50 H new ATOM 0 HD1 HIS A 18 22.189 -21.850 23.542 1.00 0.13 H new ATOM 0 HD2 HIS A 18 18.270 -20.773 24.600 1.00 21.11 H new ATOM 0 HE1 HIS A 18 22.180 -21.376 26.060 1.00 21.41 H new ATOM 295 N THR A 19 17.946 -23.631 20.193 1.00 71.41 N ATOM 296 CA THR A 19 17.371 -23.745 18.868 1.00 41.11 C ATOM 297 C THR A 19 16.137 -22.865 18.781 1.00 2.13 C ATOM 298 O THR A 19 15.141 -23.113 19.474 1.00 64.45 O ATOM 299 CB THR A 19 16.987 -25.204 18.604 1.00 2.14 C ATOM 300 OG1 THR A 19 18.100 -26.046 18.909 1.00 11.24 O ATOM 301 CG2 THR A 19 16.581 -25.387 17.135 1.00 20.53 C ATOM 0 H THR A 19 17.330 -23.933 20.948 1.00 71.41 H new ATOM 0 HA THR A 19 18.098 -23.424 18.122 1.00 41.11 H new ATOM 0 HB THR A 19 16.141 -25.474 19.236 1.00 2.14 H new ATOM 0 HG1 THR A 19 17.858 -26.981 18.743 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.310 -26.428 16.959 1.00 20.53 H new ATOM 0 HG22 THR A 19 15.727 -24.747 16.911 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.417 -25.116 16.490 1.00 20.53 H new ATOM 309 N VAL A 20 16.191 -21.844 17.948 1.00 62.44 N ATOM 310 CA VAL A 20 15.060 -20.943 17.793 1.00 2.05 C ATOM 311 C VAL A 20 14.837 -20.571 16.335 1.00 1.51 C ATOM 312 O VAL A 20 15.748 -20.686 15.505 1.00 15.42 O ATOM 313 CB VAL A 20 15.243 -19.684 18.663 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.252 -20.084 20.141 1.00 41.33 C ATOM 315 CG2 VAL A 20 16.571 -18.997 18.324 1.00 52.53 C ATOM 0 H VAL A 20 17.000 -21.616 17.370 1.00 62.44 H new ATOM 0 HA VAL A 20 14.168 -21.468 18.135 1.00 2.05 H new ATOM 0 HB VAL A 20 14.420 -18.996 18.467 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.381 -19.195 20.758 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.308 -20.566 20.393 1.00 41.33 H new ATOM 0 HG13 VAL A 20 16.073 -20.776 20.326 1.00 41.33 H new ATOM 0 HG21 VAL A 20 16.690 -18.109 18.944 1.00 52.53 H new ATOM 0 HG22 VAL A 20 17.395 -19.685 18.513 1.00 52.53 H new ATOM 0 HG23 VAL A 20 16.573 -18.708 17.273 1.00 52.53 H new ATOM 325 N THR A 21 13.653 -20.080 16.045 1.00 63.53 N ATOM 326 CA THR A 21 13.313 -19.605 14.725 1.00 44.25 C ATOM 327 C THR A 21 12.931 -18.143 14.831 1.00 12.41 C ATOM 328 O THR A 21 12.142 -17.772 15.703 1.00 11.33 O ATOM 329 CB THR A 21 12.121 -20.396 14.161 1.00 65.22 C ATOM 330 OG1 THR A 21 12.388 -21.795 14.240 1.00 25.54 O ATOM 331 CG2 THR A 21 11.887 -20.004 12.688 1.00 10.42 C ATOM 0 H THR A 21 12.895 -19.999 16.723 1.00 63.53 H new ATOM 0 HA THR A 21 14.166 -19.736 14.059 1.00 44.25 H new ATOM 0 HB THR A 21 11.231 -20.163 14.746 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.625 -22.294 13.881 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.042 -20.566 12.292 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.674 -18.937 12.625 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.779 -20.231 12.105 1.00 10.42 H new ATOM 339 N ILE A 22 13.464 -17.320 13.957 1.00 41.12 N ATOM 340 CA ILE A 22 13.101 -15.916 13.953 1.00 63.41 C ATOM 341 C ILE A 22 12.592 -15.532 12.583 1.00 15.43 C ATOM 342 O ILE A 22 12.954 -16.163 11.578 1.00 50.41 O ATOM 343 CB ILE A 22 14.289 -15.032 14.368 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.441 -15.198 13.375 1.00 65.05 C ATOM 345 CG2 ILE A 22 14.769 -15.431 15.769 1.00 31.40 C ATOM 346 CD1 ILE A 22 16.552 -14.198 13.708 1.00 75.44 C ATOM 0 H ILE A 22 14.143 -17.591 13.246 1.00 41.12 H new ATOM 0 HA ILE A 22 12.309 -15.755 14.685 1.00 63.41 H new ATOM 0 HB ILE A 22 13.965 -13.991 14.374 1.00 35.34 H new ATOM 0 HG12 ILE A 22 15.829 -16.216 13.418 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.084 -15.036 12.358 1.00 65.05 H new ATOM 0 HG21 ILE A 22 15.611 -14.802 16.058 1.00 31.40 H new ATOM 0 HG22 ILE A 22 13.956 -15.300 16.483 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.082 -16.475 15.763 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.372 -14.317 13.000 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.160 -13.183 13.642 1.00 75.44 H new ATOM 0 HD13 ILE A 22 16.916 -14.381 14.719 1.00 75.44 H new ATOM 358 N TRP A 23 11.728 -14.537 12.548 1.00 51.20 N ATOM 359 CA TRP A 23 11.121 -14.088 11.313 1.00 45.54 C ATOM 360 C TRP A 23 11.645 -12.718 10.949 1.00 3.15 C ATOM 361 O TRP A 23 11.504 -11.767 11.720 1.00 71.12 O ATOM 362 CB TRP A 23 9.593 -14.037 11.472 1.00 14.21 C ATOM 363 CG TRP A 23 9.049 -15.429 11.464 1.00 32.22 C ATOM 364 CD1 TRP A 23 8.426 -16.003 10.421 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.070 -16.425 12.525 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.079 -17.296 10.760 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.449 -17.602 12.048 1.00 64.15 C ATOM 368 CE3 TRP A 23 9.566 -16.426 13.838 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.323 -18.737 12.845 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.439 -17.567 14.645 1.00 74.51 C ATOM 371 CH2 TRP A 23 8.820 -18.720 14.149 1.00 12.23 C ATOM 0 H TRP A 23 11.428 -14.019 13.374 1.00 51.20 H new ATOM 0 HA TRP A 23 11.375 -14.788 10.517 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.329 -13.537 12.404 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.151 -13.457 10.662 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.228 -15.529 9.471 1.00 44.21 H new ATOM 0 HE1 TRP A 23 7.606 -17.945 10.131 1.00 24.00 H new ATOM 0 HE3 TRP A 23 10.049 -15.543 14.230 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 7.844 -19.624 12.457 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 9.821 -17.555 15.655 1.00 74.51 H new ATOM 0 HH2 TRP A 23 8.727 -19.595 14.775 1.00 12.23 H new ATOM 382 N LEU A 24 12.221 -12.613 9.771 1.00 44.10 N ATOM 383 CA LEU A 24 12.757 -11.351 9.293 1.00 40.20 C ATOM 384 C LEU A 24 11.913 -10.861 8.136 1.00 52.40 C ATOM 385 O LEU A 24 11.629 -11.630 7.214 1.00 21.24 O ATOM 386 CB LEU A 24 14.201 -11.549 8.813 1.00 70.54 C ATOM 387 CG LEU A 24 15.051 -12.180 9.927 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.463 -12.427 9.413 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.126 -11.247 11.136 1.00 21.54 C ATOM 0 H LEU A 24 12.332 -13.391 9.120 1.00 44.10 H new ATOM 0 HA LEU A 24 12.742 -10.621 10.102 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.214 -12.188 7.930 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.628 -10.590 8.519 1.00 70.54 H new ATOM 0 HG LEU A 24 14.587 -13.121 10.225 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.065 -12.875 10.204 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.426 -13.103 8.559 1.00 42.21 H new ATOM 0 HD13 LEU A 24 16.910 -11.481 9.108 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.732 -11.709 11.915 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.578 -10.301 10.838 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.121 -11.064 11.518 1.00 21.54 H new ATOM 401 N THR A 25 11.547 -9.593 8.149 1.00 32.11 N ATOM 402 CA THR A 25 10.780 -9.037 7.053 1.00 20.03 C ATOM 403 C THR A 25 11.647 -8.082 6.246 1.00 15.11 C ATOM 404 O THR A 25 12.055 -7.024 6.740 1.00 30.42 O ATOM 405 CB THR A 25 9.530 -8.321 7.589 1.00 11.33 C ATOM 406 OG1 THR A 25 9.083 -8.996 8.768 1.00 74.12 O ATOM 407 CG2 THR A 25 8.415 -8.357 6.528 1.00 51.01 C ATOM 0 H THR A 25 11.766 -8.936 8.898 1.00 32.11 H new ATOM 0 HA THR A 25 10.454 -9.845 6.398 1.00 20.03 H new ATOM 0 HB THR A 25 9.771 -7.283 7.820 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.286 -8.547 9.120 1.00 74.12 H new ATOM 0 HG21 THR A 25 7.531 -7.848 6.912 1.00 51.01 H new ATOM 0 HG22 THR A 25 8.758 -7.855 5.623 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.166 -9.393 6.297 1.00 51.01 H new ATOM 415 N VAL A 26 11.915 -8.461 5.013 1.00 24.42 N ATOM 416 CA VAL A 26 12.726 -7.679 4.089 1.00 0.53 C ATOM 417 C VAL A 26 12.349 -8.084 2.677 1.00 14.44 C ATOM 418 O VAL A 26 11.465 -8.912 2.502 1.00 61.52 O ATOM 419 CB VAL A 26 14.227 -7.950 4.334 1.00 60.45 C ATOM 420 CG1 VAL A 26 14.652 -7.359 5.683 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.488 -9.462 4.340 1.00 64.00 C ATOM 0 H VAL A 26 11.572 -9.335 4.614 1.00 24.42 H new ATOM 0 HA VAL A 26 12.545 -6.615 4.239 1.00 0.53 H new ATOM 0 HB VAL A 26 14.804 -7.483 3.536 1.00 60.45 H new ATOM 0 HG11 VAL A 26 15.712 -7.554 5.848 1.00 14.20 H new ATOM 0 HG12 VAL A 26 14.478 -6.283 5.680 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.070 -7.819 6.481 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.548 -9.648 4.513 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.904 -9.929 5.133 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.198 -9.885 3.378 1.00 64.00 H new ATOM 431 N ARG A 27 13.089 -7.625 1.688 1.00 33.21 N ATOM 432 CA ARG A 27 12.865 -8.102 0.328 1.00 4.21 C ATOM 433 C ARG A 27 14.023 -8.982 -0.125 1.00 3.32 C ATOM 434 O ARG A 27 15.142 -8.845 0.374 1.00 72.11 O ATOM 435 CB ARG A 27 12.625 -6.946 -0.659 1.00 30.33 C ATOM 436 CG ARG A 27 13.675 -5.839 -0.484 1.00 13.41 C ATOM 437 CD ARG A 27 13.177 -4.724 0.465 1.00 0.42 C ATOM 438 NE ARG A 27 11.712 -4.705 0.631 1.00 5.44 N ATOM 439 CZ ARG A 27 10.865 -4.354 -0.349 1.00 52.45 C ATOM 440 NH1 ARG A 27 11.314 -4.144 -1.555 1.00 55.30 N ATOM 441 NH2 ARG A 27 9.589 -4.232 -0.094 1.00 23.52 N ATOM 0 H ARG A 27 13.836 -6.938 1.790 1.00 33.21 H new ATOM 0 HA ARG A 27 11.956 -8.703 0.336 1.00 4.21 H new ATOM 0 HB2 ARG A 27 12.658 -7.324 -1.681 1.00 30.33 H new ATOM 0 HB3 ARG A 27 11.628 -6.533 -0.504 1.00 30.33 H new ATOM 0 HG2 ARG A 27 14.595 -6.269 -0.089 1.00 13.41 H new ATOM 0 HG3 ARG A 27 13.916 -5.409 -1.456 1.00 13.41 H new ATOM 0 HD2 ARG A 27 13.644 -4.853 1.441 1.00 0.42 H new ATOM 0 HD3 ARG A 27 13.504 -3.758 0.081 1.00 0.42 H new ATOM 0 HE ARG A 27 11.323 -4.972 1.535 1.00 5.44 H new ATOM 0 HH11 ARG A 27 12.309 -4.247 -1.754 1.00 55.30 H new ATOM 0 HH12 ARG A 27 10.670 -3.877 -2.300 1.00 55.30 H new ATOM 0 HH21 ARG A 27 9.239 -4.403 0.848 1.00 23.52 H new ATOM 0 HH22 ARG A 27 8.944 -3.965 -0.837 1.00 23.52 H new ATOM 455 N PRO A 28 13.791 -9.855 -1.078 1.00 70.42 N ATOM 456 CA PRO A 28 14.843 -10.794 -1.599 1.00 2.44 C ATOM 457 C PRO A 28 16.064 -10.035 -2.084 1.00 10.52 C ATOM 458 O PRO A 28 17.177 -10.573 -2.111 1.00 73.22 O ATOM 459 CB PRO A 28 14.148 -11.475 -2.782 1.00 63.31 C ATOM 460 CG PRO A 28 12.694 -11.391 -2.468 1.00 53.01 C ATOM 461 CD PRO A 28 12.499 -10.051 -1.771 1.00 50.41 C ATOM 0 HA PRO A 28 15.199 -11.488 -0.838 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.380 -10.971 -3.720 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.471 -12.511 -2.888 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.093 -11.451 -3.376 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.384 -12.215 -1.826 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.295 -9.250 -2.482 1.00 50.41 H new ATOM 0 HD3 PRO A 28 11.664 -10.076 -1.071 1.00 50.41 H new ATOM 469 N ASP A 29 15.831 -8.796 -2.485 1.00 21.24 N ATOM 470 CA ASP A 29 16.876 -7.917 -2.991 1.00 42.34 C ATOM 471 C ASP A 29 17.943 -7.670 -1.943 1.00 22.22 C ATOM 472 O ASP A 29 19.091 -7.353 -2.275 1.00 73.13 O ATOM 473 CB ASP A 29 16.283 -6.579 -3.423 1.00 0.01 C ATOM 474 CG ASP A 29 17.328 -5.770 -4.148 1.00 62.22 C ATOM 475 OD1 ASP A 29 17.739 -6.188 -5.206 1.00 21.43 O ATOM 476 OD2 ASP A 29 17.708 -4.737 -3.641 1.00 43.24 O ATOM 0 H ASP A 29 14.905 -8.368 -2.469 1.00 21.24 H new ATOM 0 HA ASP A 29 17.332 -8.412 -3.848 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.423 -6.744 -4.072 1.00 0.01 H new ATOM 0 HB3 ASP A 29 15.925 -6.031 -2.552 1.00 0.01 H new ATOM 481 N MET A 30 17.538 -7.700 -0.687 1.00 31.25 N ATOM 482 CA MET A 30 18.455 -7.420 0.407 1.00 25.12 C ATOM 483 C MET A 30 19.595 -8.415 0.435 1.00 64.13 C ATOM 484 O MET A 30 19.558 -9.445 -0.235 1.00 62.13 O ATOM 485 CB MET A 30 17.725 -7.387 1.754 1.00 2.42 C ATOM 486 CG MET A 30 17.900 -6.008 2.401 1.00 11.34 C ATOM 487 SD MET A 30 19.322 -6.046 3.511 1.00 52.43 S ATOM 488 CE MET A 30 18.544 -7.000 4.838 1.00 61.23 C ATOM 0 H MET A 30 16.584 -7.914 -0.397 1.00 31.25 H new ATOM 0 HA MET A 30 18.877 -6.430 0.233 1.00 25.12 H new ATOM 0 HB2 MET A 30 16.666 -7.600 1.610 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.120 -8.161 2.412 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.044 -5.249 1.632 1.00 11.34 H new ATOM 0 HG3 MET A 30 17.000 -5.736 2.953 1.00 11.34 H new ATOM 0 HE1 MET A 30 19.053 -6.795 5.780 1.00 61.23 H new ATOM 0 HE2 MET A 30 17.495 -6.716 4.923 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.615 -8.064 4.611 1.00 61.23 H new ATOM 498 N THR A 31 20.633 -8.047 1.140 1.00 12.23 N ATOM 499 CA THR A 31 21.849 -8.819 1.212 1.00 31.41 C ATOM 500 C THR A 31 21.964 -9.550 2.546 1.00 44.04 C ATOM 501 O THR A 31 21.566 -9.024 3.596 1.00 12.01 O ATOM 502 CB THR A 31 23.048 -7.889 0.965 1.00 25.42 C ATOM 503 OG1 THR A 31 23.238 -7.715 -0.433 1.00 20.13 O ATOM 504 CG2 THR A 31 24.308 -8.449 1.592 1.00 40.23 C ATOM 0 H THR A 31 20.659 -7.188 1.690 1.00 12.23 H new ATOM 0 HA THR A 31 21.835 -9.588 0.440 1.00 31.41 H new ATOM 0 HB THR A 31 22.838 -6.925 1.428 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.179 -7.873 -0.657 1.00 20.13 H new ATOM 0 HG21 THR A 31 25.141 -7.772 1.402 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.164 -8.554 2.667 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.528 -9.425 1.158 1.00 40.23 H new ATOM 512 N VAL A 32 22.539 -10.745 2.511 1.00 60.15 N ATOM 513 CA VAL A 32 22.706 -11.542 3.714 1.00 10.31 C ATOM 514 C VAL A 32 23.539 -10.771 4.727 1.00 54.12 C ATOM 515 O VAL A 32 23.176 -10.679 5.900 1.00 54.33 O ATOM 516 CB VAL A 32 23.392 -12.875 3.370 1.00 44.23 C ATOM 517 CG1 VAL A 32 23.739 -13.642 4.655 1.00 71.12 C ATOM 518 CG2 VAL A 32 22.462 -13.725 2.498 1.00 24.05 C ATOM 0 H VAL A 32 22.897 -11.182 1.661 1.00 60.15 H new ATOM 0 HA VAL A 32 21.727 -11.752 4.144 1.00 10.31 H new ATOM 0 HB VAL A 32 24.312 -12.667 2.824 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.224 -14.583 4.397 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.413 -13.042 5.266 1.00 71.12 H new ATOM 0 HG13 VAL A 32 22.826 -13.846 5.215 1.00 71.12 H new ATOM 0 HG21 VAL A 32 22.951 -14.668 2.256 1.00 24.05 H new ATOM 0 HG22 VAL A 32 21.537 -13.924 3.039 1.00 24.05 H new ATOM 0 HG23 VAL A 32 22.235 -13.188 1.577 1.00 24.05 H new ATOM 528 N ALA A 33 24.633 -10.183 4.267 1.00 53.45 N ATOM 529 CA ALA A 33 25.487 -9.407 5.151 1.00 55.04 C ATOM 530 C ALA A 33 24.674 -8.325 5.850 1.00 52.23 C ATOM 531 O ALA A 33 24.739 -8.175 7.072 1.00 54.14 O ATOM 532 CB ALA A 33 26.657 -8.784 4.385 1.00 50.32 C ATOM 0 H ALA A 33 24.947 -10.228 3.298 1.00 53.45 H new ATOM 0 HA ALA A 33 25.900 -10.081 5.902 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.278 -8.210 5.073 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.255 -9.573 3.929 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.273 -8.125 3.607 1.00 50.32 H new ATOM 538 N SER A 34 23.855 -7.628 5.089 1.00 20.42 N ATOM 539 CA SER A 34 22.947 -6.653 5.654 1.00 42.23 C ATOM 540 C SER A 34 21.954 -7.344 6.586 1.00 51.41 C ATOM 541 O SER A 34 21.634 -6.838 7.667 1.00 74.05 O ATOM 542 CB SER A 34 22.199 -5.931 4.534 1.00 22.13 C ATOM 543 OG SER A 34 23.146 -5.360 3.625 1.00 22.31 O ATOM 0 H SER A 34 23.800 -7.720 4.075 1.00 20.42 H new ATOM 0 HA SER A 34 23.519 -5.923 6.227 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.547 -6.628 4.008 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.561 -5.151 4.951 1.00 22.13 H new ATOM 0 HG SER A 34 22.670 -4.897 2.904 1.00 22.31 H new ATOM 549 N LEU A 35 21.435 -8.485 6.136 1.00 42.51 N ATOM 550 CA LEU A 35 20.450 -9.225 6.909 1.00 60.21 C ATOM 551 C LEU A 35 21.045 -9.724 8.218 1.00 12.50 C ATOM 552 O LEU A 35 20.471 -9.520 9.288 1.00 51.11 O ATOM 553 CB LEU A 35 19.921 -10.408 6.089 1.00 20.44 C ATOM 554 CG LEU A 35 18.870 -11.185 6.895 1.00 63.51 C ATOM 555 CD1 LEU A 35 17.708 -10.262 7.262 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.341 -12.358 6.065 1.00 72.44 C ATOM 0 H LEU A 35 21.681 -8.913 5.243 1.00 42.51 H new ATOM 0 HA LEU A 35 19.626 -8.552 7.144 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.483 -10.048 5.158 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.744 -11.069 5.818 1.00 20.44 H new ATOM 0 HG LEU A 35 19.334 -11.564 7.806 1.00 63.51 H new ATOM 0 HD11 LEU A 35 16.966 -10.820 7.834 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.079 -9.431 7.862 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.249 -9.875 6.352 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.596 -12.905 6.642 1.00 72.44 H new ATOM 0 HD22 LEU A 35 17.885 -11.980 5.150 1.00 72.44 H new ATOM 0 HD23 LEU A 35 19.165 -13.025 5.811 1.00 72.44 H new ATOM 568 N LYS A 36 22.223 -10.320 8.144 1.00 34.21 N ATOM 569 CA LYS A 36 22.876 -10.812 9.347 1.00 44.21 C ATOM 570 C LYS A 36 23.210 -9.641 10.249 1.00 31.00 C ATOM 571 O LYS A 36 23.039 -9.703 11.477 1.00 33.33 O ATOM 572 CB LYS A 36 24.128 -11.655 8.999 1.00 43.15 C ATOM 573 CG LYS A 36 25.296 -10.772 8.537 1.00 4.03 C ATOM 574 CD LYS A 36 26.473 -11.668 8.113 1.00 65.42 C ATOM 575 CE LYS A 36 27.675 -10.804 7.686 1.00 65.21 C ATOM 576 NZ LYS A 36 28.774 -11.674 7.197 1.00 35.45 N ATOM 0 H LYS A 36 22.741 -10.474 7.279 1.00 34.21 H new ATOM 0 HA LYS A 36 22.197 -11.476 9.882 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.432 -12.233 9.872 1.00 43.15 H new ATOM 0 HB3 LYS A 36 23.879 -12.369 8.214 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.984 -10.143 7.703 1.00 4.03 H new ATOM 0 HG3 LYS A 36 25.603 -10.105 9.342 1.00 4.03 H new ATOM 0 HD2 LYS A 36 26.759 -12.319 8.939 1.00 65.42 H new ATOM 0 HD3 LYS A 36 26.169 -12.314 7.289 1.00 65.42 H new ATOM 0 HE2 LYS A 36 27.374 -10.108 6.903 1.00 65.21 H new ATOM 0 HE3 LYS A 36 28.021 -10.205 8.528 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 29.337 -11.158 6.491 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 29.383 -11.945 7.995 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 28.372 -12.529 6.762 1.00 35.45 H new ATOM 590 N ASP A 37 23.582 -8.533 9.617 1.00 21.40 N ATOM 591 CA ASP A 37 23.853 -7.296 10.324 1.00 31.33 C ATOM 592 C ASP A 37 22.625 -6.808 11.076 1.00 3.04 C ATOM 593 O ASP A 37 22.678 -6.601 12.278 1.00 73.14 O ATOM 594 CB ASP A 37 24.301 -6.217 9.331 1.00 1.34 C ATOM 595 CG ASP A 37 24.430 -4.889 10.030 1.00 74.31 C ATOM 596 OD1 ASP A 37 25.279 -4.771 10.877 1.00 52.50 O ATOM 597 OD2 ASP A 37 23.682 -4.001 9.699 1.00 11.04 O ATOM 0 H ASP A 37 23.702 -8.471 8.606 1.00 21.40 H new ATOM 0 HA ASP A 37 24.646 -7.490 11.047 1.00 31.33 H new ATOM 0 HB2 ASP A 37 25.256 -6.496 8.886 1.00 1.34 H new ATOM 0 HB3 ASP A 37 23.580 -6.139 8.517 1.00 1.34 H new ATOM 602 N MET A 38 21.495 -6.714 10.388 1.00 34.44 N ATOM 603 CA MET A 38 20.272 -6.279 11.042 1.00 41.13 C ATOM 604 C MET A 38 19.829 -7.269 12.101 1.00 34.34 C ATOM 605 O MET A 38 19.398 -6.881 13.183 1.00 71.22 O ATOM 606 CB MET A 38 19.159 -5.962 10.039 1.00 41.21 C ATOM 607 CG MET A 38 18.437 -7.231 9.623 1.00 23.15 C ATOM 608 SD MET A 38 16.990 -6.795 8.622 1.00 32.15 S ATOM 609 CE MET A 38 15.937 -8.195 9.084 1.00 74.35 C ATOM 0 H MET A 38 21.401 -6.929 9.395 1.00 34.44 H new ATOM 0 HA MET A 38 20.495 -5.342 11.553 1.00 41.13 H new ATOM 0 HB2 MET A 38 18.450 -5.263 10.483 1.00 41.21 H new ATOM 0 HB3 MET A 38 19.582 -5.473 9.161 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.107 -7.875 9.053 1.00 23.15 H new ATOM 0 HG3 MET A 38 18.128 -7.793 10.504 1.00 23.15 H new ATOM 0 HE1 MET A 38 15.359 -8.517 8.218 1.00 74.35 H new ATOM 0 HE2 MET A 38 16.560 -9.020 9.431 1.00 74.35 H new ATOM 0 HE3 MET A 38 15.258 -7.892 9.881 1.00 74.35 H new ATOM 619 N VAL A 39 20.031 -8.548 11.825 1.00 14.41 N ATOM 620 CA VAL A 39 19.727 -9.577 12.802 1.00 25.32 C ATOM 621 C VAL A 39 20.550 -9.307 14.048 1.00 51.44 C ATOM 622 O VAL A 39 20.031 -9.327 15.168 1.00 21.33 O ATOM 623 CB VAL A 39 20.018 -10.979 12.232 1.00 31.13 C ATOM 624 CG1 VAL A 39 19.849 -12.053 13.321 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.043 -11.271 11.083 1.00 65.31 C ATOM 0 H VAL A 39 20.401 -8.895 10.940 1.00 14.41 H new ATOM 0 HA VAL A 39 18.666 -9.551 13.052 1.00 25.32 H new ATOM 0 HB VAL A 39 21.046 -11.003 11.870 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.059 -13.036 12.899 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.542 -11.854 14.139 1.00 41.14 H new ATOM 0 HG13 VAL A 39 18.827 -12.031 13.698 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.246 -12.262 10.677 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.019 -11.234 11.456 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.171 -10.525 10.299 1.00 65.31 H new ATOM 635 N PHE A 40 21.804 -8.941 13.845 1.00 3.12 N ATOM 636 CA PHE A 40 22.636 -8.527 14.957 1.00 33.42 C ATOM 637 C PHE A 40 22.006 -7.347 15.670 1.00 2.10 C ATOM 638 O PHE A 40 21.901 -7.344 16.897 1.00 42.22 O ATOM 639 CB PHE A 40 24.055 -8.167 14.493 1.00 31.43 C ATOM 640 CG PHE A 40 24.785 -7.441 15.609 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.968 -8.053 16.852 1.00 13.01 C ATOM 642 CD2 PHE A 40 25.260 -6.140 15.396 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.627 -7.373 17.878 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.918 -5.458 16.423 1.00 33.14 C ATOM 645 CZ PHE A 40 26.103 -6.075 17.665 1.00 34.32 C ATOM 0 H PHE A 40 22.262 -8.922 12.934 1.00 3.12 H new ATOM 0 HA PHE A 40 22.712 -9.366 15.648 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.599 -9.070 14.216 1.00 31.43 H new ATOM 0 HB3 PHE A 40 24.010 -7.538 13.604 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.599 -9.054 17.019 1.00 13.01 H new ATOM 0 HD2 PHE A 40 25.117 -5.664 14.437 1.00 43.21 H new ATOM 0 HE1 PHE A 40 25.769 -7.849 18.837 1.00 61.34 H new ATOM 0 HE2 PHE A 40 26.284 -4.455 16.258 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.613 -5.549 18.459 1.00 34.32 H new ATOM 655 N LEU A 41 21.565 -6.356 14.905 1.00 22.50 N ATOM 656 CA LEU A 41 20.951 -5.178 15.507 1.00 60.20 C ATOM 657 C LEU A 41 19.707 -5.597 16.245 1.00 62.30 C ATOM 658 O LEU A 41 19.389 -5.074 17.319 1.00 2.04 O ATOM 659 CB LEU A 41 20.495 -4.189 14.417 1.00 64.43 C ATOM 660 CG LEU A 41 21.626 -3.889 13.444 1.00 14.35 C ATOM 661 CD1 LEU A 41 21.143 -2.917 12.369 1.00 15.13 C ATOM 662 CD2 LEU A 41 22.815 -3.304 14.179 1.00 2.24 C ATOM 0 H LEU A 41 21.619 -6.342 13.887 1.00 22.50 H new ATOM 0 HA LEU A 41 21.684 -4.713 16.166 1.00 60.20 H new ATOM 0 HB2 LEU A 41 19.646 -4.606 13.875 1.00 64.43 H new ATOM 0 HB3 LEU A 41 20.154 -3.263 14.881 1.00 64.43 H new ATOM 0 HG LEU A 41 21.936 -4.820 12.969 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.958 -2.707 11.676 1.00 15.13 H new ATOM 0 HD12 LEU A 41 20.309 -3.361 11.825 1.00 15.13 H new ATOM 0 HD13 LEU A 41 20.817 -1.989 12.838 1.00 15.13 H new ATOM 0 HD21 LEU A 41 23.615 -3.095 13.469 1.00 2.24 H new ATOM 0 HD22 LEU A 41 22.518 -2.379 14.673 1.00 2.24 H new ATOM 0 HD23 LEU A 41 23.168 -4.016 14.924 1.00 2.24 H new ATOM 674 N ASP A 42 18.936 -6.439 15.589 1.00 3.40 N ATOM 675 CA ASP A 42 17.630 -6.831 16.094 1.00 20.53 C ATOM 676 C ASP A 42 17.701 -7.835 17.228 1.00 55.41 C ATOM 677 O ASP A 42 16.922 -7.752 18.177 1.00 3.34 O ATOM 678 CB ASP A 42 16.735 -7.363 14.967 1.00 22.22 C ATOM 679 CG ASP A 42 15.278 -7.377 15.407 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.912 -6.537 16.201 1.00 72.43 O ATOM 681 OD2 ASP A 42 14.537 -8.206 14.926 1.00 75.41 O ATOM 0 H ASP A 42 19.190 -6.869 14.700 1.00 3.40 H new ATOM 0 HA ASP A 42 17.186 -5.924 16.504 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.847 -6.740 14.080 1.00 22.22 H new ATOM 0 HB3 ASP A 42 17.048 -8.370 14.691 1.00 22.22 H new ATOM 686 N TYR A 43 18.540 -8.850 17.078 1.00 32.23 N ATOM 687 CA TYR A 43 18.563 -9.952 18.042 1.00 3.43 C ATOM 688 C TYR A 43 19.829 -9.975 18.878 1.00 54.44 C ATOM 689 O TYR A 43 20.003 -10.870 19.708 1.00 52.22 O ATOM 690 CB TYR A 43 18.404 -11.290 17.309 1.00 12.45 C ATOM 691 CG TYR A 43 17.085 -11.296 16.586 1.00 32.24 C ATOM 692 CD1 TYR A 43 15.914 -11.634 17.267 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.032 -10.949 15.236 1.00 13.44 C ATOM 694 CE1 TYR A 43 14.691 -11.623 16.598 1.00 60.33 C ATOM 695 CE2 TYR A 43 15.810 -10.933 14.569 1.00 50.22 C ATOM 696 CZ TYR A 43 14.640 -11.270 15.250 1.00 33.42 C ATOM 697 OH TYR A 43 13.437 -11.241 14.594 1.00 11.32 O ATOM 0 H TYR A 43 19.207 -8.938 16.311 1.00 32.23 H new ATOM 0 HA TYR A 43 17.728 -9.795 18.725 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.222 -11.432 16.602 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.449 -12.116 18.019 1.00 12.45 H new ATOM 0 HD1 TYR A 43 15.956 -11.904 18.312 1.00 32.13 H new ATOM 0 HD2 TYR A 43 17.939 -10.693 14.708 1.00 13.44 H new ATOM 0 HE1 TYR A 43 13.785 -11.887 17.123 1.00 60.33 H new ATOM 0 HE2 TYR A 43 15.768 -10.660 13.525 1.00 50.22 H new ATOM 0 HH TYR A 43 13.579 -10.974 13.662 1.00 11.32 H new ATOM 707 N GLY A 44 20.719 -9.025 18.663 1.00 13.32 N ATOM 708 CA GLY A 44 21.974 -9.012 19.403 1.00 51.52 C ATOM 709 C GLY A 44 22.810 -10.223 19.020 1.00 41.34 C ATOM 710 O GLY A 44 23.473 -10.829 19.862 1.00 41.15 O ATOM 0 H GLY A 44 20.604 -8.263 17.995 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.524 -8.096 19.188 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.775 -9.020 20.475 1.00 51.52 H new ATOM 714 N PHE A 45 22.697 -10.621 17.760 1.00 73.22 N ATOM 715 CA PHE A 45 23.414 -11.787 17.237 1.00 0.40 C ATOM 716 C PHE A 45 24.716 -11.335 16.581 1.00 12.32 C ATOM 717 O PHE A 45 24.727 -11.039 15.389 1.00 44.25 O ATOM 718 CB PHE A 45 22.557 -12.500 16.171 1.00 13.01 C ATOM 719 CG PHE A 45 21.426 -13.305 16.793 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.064 -13.129 18.137 1.00 31.22 C ATOM 721 CD2 PHE A 45 20.734 -14.232 16.005 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.016 -13.879 18.681 1.00 2.11 C ATOM 723 CE2 PHE A 45 19.689 -14.979 16.552 1.00 74.25 C ATOM 724 CZ PHE A 45 19.329 -14.802 17.891 1.00 11.12 C ATOM 0 H PHE A 45 22.110 -10.151 17.071 1.00 73.22 H new ATOM 0 HA PHE A 45 23.621 -12.468 18.063 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.142 -11.761 15.486 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.190 -13.162 15.580 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.594 -12.415 18.751 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.009 -14.370 14.970 1.00 43.54 H new ATOM 0 HE1 PHE A 45 19.738 -13.743 19.716 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.159 -15.694 15.940 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.520 -15.379 18.314 1.00 11.12 H new ATOM 734 N PRO A 46 25.787 -11.193 17.331 1.00 33.44 N ATOM 735 CA PRO A 46 27.083 -10.707 16.779 1.00 1.25 C ATOM 736 C PRO A 46 27.419 -11.389 15.442 1.00 72.23 C ATOM 737 O PRO A 46 27.304 -12.614 15.314 1.00 63.41 O ATOM 738 CB PRO A 46 28.116 -11.068 17.865 1.00 45.41 C ATOM 739 CG PRO A 46 27.365 -11.827 18.925 1.00 3.22 C ATOM 740 CD PRO A 46 25.892 -11.474 18.765 1.00 61.54 C ATOM 0 HA PRO A 46 27.063 -9.639 16.560 1.00 1.25 H new ATOM 0 HB2 PRO A 46 28.921 -11.674 17.450 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.574 -10.170 18.280 1.00 45.41 H new ATOM 0 HG2 PRO A 46 27.519 -12.900 18.813 1.00 3.22 H new ATOM 0 HG3 PRO A 46 27.721 -11.556 19.919 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.243 -12.296 19.066 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.614 -10.610 19.369 1.00 61.54 H new ATOM 748 N PRO A 47 27.796 -10.624 14.441 1.00 24.43 N ATOM 749 CA PRO A 47 28.058 -11.169 13.070 1.00 3.35 C ATOM 750 C PRO A 47 29.158 -12.218 13.066 1.00 32.23 C ATOM 751 O PRO A 47 29.122 -13.162 12.278 1.00 60.40 O ATOM 752 CB PRO A 47 28.462 -9.933 12.255 1.00 22.12 C ATOM 753 CG PRO A 47 28.892 -8.920 13.270 1.00 61.03 C ATOM 754 CD PRO A 47 28.020 -9.166 14.499 1.00 72.21 C ATOM 0 HA PRO A 47 27.188 -11.682 12.661 1.00 3.35 H new ATOM 0 HB2 PRO A 47 29.271 -10.165 11.562 1.00 22.12 H new ATOM 0 HB3 PRO A 47 27.628 -9.564 11.659 1.00 22.12 H new ATOM 0 HG2 PRO A 47 29.949 -9.033 13.512 1.00 61.03 H new ATOM 0 HG3 PRO A 47 28.758 -7.906 12.892 1.00 61.03 H new ATOM 0 HD2 PRO A 47 28.522 -8.868 15.420 1.00 72.21 H new ATOM 0 HD3 PRO A 47 27.084 -8.609 14.452 1.00 72.21 H new ATOM 762 N VAL A 48 30.087 -12.091 13.993 1.00 2.22 N ATOM 763 CA VAL A 48 31.135 -13.084 14.147 1.00 3.34 C ATOM 764 C VAL A 48 30.527 -14.430 14.535 1.00 13.44 C ATOM 765 O VAL A 48 30.912 -15.479 14.010 1.00 24.32 O ATOM 766 CB VAL A 48 32.169 -12.617 15.197 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.454 -12.122 16.461 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.092 -13.783 15.577 1.00 41.53 C ATOM 0 H VAL A 48 30.139 -11.313 14.650 1.00 2.22 H new ATOM 0 HA VAL A 48 31.654 -13.204 13.196 1.00 3.34 H new ATOM 0 HB VAL A 48 32.755 -11.805 14.766 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.193 -11.796 17.193 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.802 -11.286 16.207 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.858 -12.932 16.883 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.818 -13.446 16.317 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.498 -14.596 15.995 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.616 -14.136 14.689 1.00 41.53 H new ATOM 778 N LEU A 49 29.579 -14.382 15.459 1.00 54.44 N ATOM 779 CA LEU A 49 28.898 -15.578 15.919 1.00 52.43 C ATOM 780 C LEU A 49 27.963 -16.117 14.861 1.00 2.01 C ATOM 781 O LEU A 49 27.747 -17.326 14.778 1.00 62.52 O ATOM 782 CB LEU A 49 28.121 -15.310 17.213 1.00 62.41 C ATOM 783 CG LEU A 49 29.068 -15.414 18.419 1.00 55.31 C ATOM 784 CD1 LEU A 49 29.837 -14.104 18.600 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.257 -15.708 19.681 1.00 21.42 C ATOM 0 H LEU A 49 29.264 -13.521 15.906 1.00 54.44 H new ATOM 0 HA LEU A 49 29.663 -16.327 16.121 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.669 -14.319 17.178 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.307 -16.028 17.315 1.00 62.41 H new ATOM 0 HG LEU A 49 29.779 -16.222 18.243 1.00 55.31 H new ATOM 0 HD11 LEU A 49 30.505 -14.190 19.457 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.422 -13.899 17.704 1.00 45.40 H new ATOM 0 HD13 LEU A 49 29.133 -13.289 18.768 1.00 45.40 H new ATOM 0 HD21 LEU A 49 28.929 -15.782 20.536 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.542 -14.903 19.850 1.00 21.42 H new ATOM 0 HD23 LEU A 49 27.721 -16.649 19.558 1.00 21.42 H new ATOM 797 N GLN A 50 27.322 -15.214 14.125 1.00 62.55 N ATOM 798 CA GLN A 50 26.331 -15.627 13.148 1.00 24.52 C ATOM 799 C GLN A 50 26.944 -16.453 12.038 1.00 43.40 C ATOM 800 O GLN A 50 27.481 -15.893 11.076 1.00 65.42 O ATOM 801 CB GLN A 50 25.625 -14.425 12.500 1.00 53.50 C ATOM 802 CG GLN A 50 24.690 -13.720 13.481 1.00 42.03 C ATOM 803 CD GLN A 50 23.905 -12.654 12.719 1.00 24.14 C ATOM 804 OE1 GLN A 50 23.324 -12.950 11.667 1.00 22.04 O ATOM 805 NE2 GLN A 50 23.853 -11.442 13.166 1.00 23.53 N ATOM 0 H GLN A 50 27.471 -14.207 14.187 1.00 62.55 H new ATOM 0 HA GLN A 50 25.608 -16.226 13.702 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.371 -13.718 12.137 1.00 53.50 H new ATOM 0 HB3 GLN A 50 25.056 -14.762 11.633 1.00 53.50 H new ATOM 0 HG2 GLN A 50 24.009 -14.438 13.938 1.00 42.03 H new ATOM 0 HG3 GLN A 50 25.262 -13.264 14.289 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.331 -11.197 14.033 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.333 -10.731 12.652 1.00 23.53 H new ATOM 814 N GLN A 51 26.628 -17.732 12.031 1.00 50.00 N ATOM 815 CA GLN A 51 26.901 -18.548 10.876 1.00 5.12 C ATOM 816 C GLN A 51 25.600 -18.883 10.189 1.00 24.14 C ATOM 817 O GLN A 51 24.857 -19.770 10.631 1.00 52.33 O ATOM 818 CB GLN A 51 27.647 -19.834 11.235 1.00 32.34 C ATOM 819 CG GLN A 51 29.100 -19.530 11.608 1.00 40.52 C ATOM 820 CD GLN A 51 29.845 -20.838 11.830 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.657 -20.958 12.831 1.00 2.14 O flip ATOM 822 NE2 GLN A 51 29.677 -21.782 11.053 1.00 64.45 N flip ATOM 0 H GLN A 51 26.185 -18.222 12.808 1.00 50.00 H new ATOM 0 HA GLN A 51 27.548 -17.979 10.209 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.148 -20.329 12.068 1.00 32.34 H new ATOM 0 HB3 GLN A 51 27.619 -20.524 10.392 1.00 32.34 H new ATOM 0 HG2 GLN A 51 29.579 -18.955 10.815 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.136 -18.920 12.510 1.00 40.52 H new ATOM 0 HE21 GLN A 51 29.037 -21.686 10.265 1.00 64.45 H new ATOM 0 HE22 GLN A 51 30.178 -22.658 11.199 1.00 64.45 H new ATOM 831 N TRP A 52 25.346 -18.207 9.090 1.00 42.04 N ATOM 832 CA TRP A 52 24.182 -18.476 8.282 1.00 31.04 C ATOM 833 C TRP A 52 24.497 -19.679 7.426 1.00 72.42 C ATOM 834 O TRP A 52 25.426 -19.631 6.611 1.00 1.43 O ATOM 835 CB TRP A 52 23.869 -17.256 7.392 1.00 75.43 C ATOM 836 CG TRP A 52 23.250 -16.158 8.217 1.00 45.20 C ATOM 837 CD1 TRP A 52 23.912 -15.376 9.109 1.00 33.04 C ATOM 838 CD2 TRP A 52 21.869 -15.695 8.217 1.00 51.21 C ATOM 839 NE1 TRP A 52 23.009 -14.482 9.675 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.743 -14.638 9.152 1.00 62.02 C ATOM 841 CE3 TRP A 52 20.721 -16.093 7.510 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.521 -14.000 9.372 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.492 -15.450 7.729 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.396 -14.408 8.658 1.00 64.43 C ATOM 0 H TRP A 52 25.940 -17.458 8.734 1.00 42.04 H new ATOM 0 HA TRP A 52 23.311 -18.670 8.908 1.00 31.04 H new ATOM 0 HB2 TRP A 52 24.783 -16.896 6.921 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.190 -17.546 6.590 1.00 75.43 H new ATOM 0 HD1 TRP A 52 24.965 -15.438 9.340 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.253 -13.796 10.389 1.00 11.32 H new ATOM 0 HE3 TRP A 52 20.785 -16.899 6.794 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.448 -13.196 10.090 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 18.617 -15.761 7.178 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.447 -13.919 8.822 1.00 64.43 H new ATOM 855 N VAL A 53 23.823 -20.787 7.668 1.00 64.50 N ATOM 856 CA VAL A 53 24.161 -21.998 6.955 1.00 13.22 C ATOM 857 C VAL A 53 23.256 -22.143 5.751 1.00 24.40 C ATOM 858 O VAL A 53 22.024 -22.186 5.870 1.00 52.11 O ATOM 859 CB VAL A 53 24.023 -23.224 7.884 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.834 -24.401 7.327 1.00 70.32 C ATOM 861 CG2 VAL A 53 24.531 -22.875 9.292 1.00 70.32 C ATOM 0 H VAL A 53 23.057 -20.872 8.336 1.00 64.50 H new ATOM 0 HA VAL A 53 25.196 -21.940 6.619 1.00 13.22 H new ATOM 0 HB VAL A 53 22.971 -23.505 7.938 1.00 15.40 H new ATOM 0 HG11 VAL A 53 24.730 -25.260 7.989 1.00 70.32 H new ATOM 0 HG12 VAL A 53 24.464 -24.661 6.335 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.885 -24.120 7.260 1.00 70.32 H new ATOM 0 HG21 VAL A 53 24.430 -23.745 9.941 1.00 70.32 H new ATOM 0 HG22 VAL A 53 25.579 -22.582 9.238 1.00 70.32 H new ATOM 0 HG23 VAL A 53 23.944 -22.050 9.697 1.00 70.32 H new ATOM 871 N ILE A 54 23.876 -22.195 4.596 1.00 31.32 N ATOM 872 CA ILE A 54 23.185 -22.325 3.339 1.00 2.42 C ATOM 873 C ILE A 54 24.022 -23.236 2.453 1.00 55.44 C ATOM 874 O ILE A 54 25.227 -23.035 2.345 1.00 64.42 O ATOM 875 CB ILE A 54 23.036 -20.926 2.695 1.00 61.22 C ATOM 876 CG1 ILE A 54 22.271 -19.995 3.650 1.00 70.55 C ATOM 877 CG2 ILE A 54 22.241 -21.024 1.389 1.00 73.52 C ATOM 878 CD1 ILE A 54 22.280 -18.569 3.089 1.00 33.44 C ATOM 0 H ILE A 54 24.891 -22.147 4.504 1.00 31.32 H new ATOM 0 HA ILE A 54 22.189 -22.747 3.473 1.00 2.42 H new ATOM 0 HB ILE A 54 24.033 -20.533 2.495 1.00 61.22 H new ATOM 0 HG12 ILE A 54 21.245 -20.343 3.771 1.00 70.55 H new ATOM 0 HG13 ILE A 54 22.732 -20.012 4.638 1.00 70.55 H new ATOM 0 HG21 ILE A 54 22.144 -20.032 0.947 1.00 73.52 H new ATOM 0 HG22 ILE A 54 22.763 -21.682 0.694 1.00 73.52 H new ATOM 0 HG23 ILE A 54 21.250 -21.428 1.596 1.00 73.52 H new ATOM 0 HD11 ILE A 54 21.738 -17.908 3.766 1.00 33.44 H new ATOM 0 HD12 ILE A 54 23.309 -18.223 2.991 1.00 33.44 H new ATOM 0 HD13 ILE A 54 21.800 -18.560 2.111 1.00 33.44 H new ATOM 991 N ASP A 61 29.071 -12.836 1.717 1.00 5.24 N ATOM 992 CA ASP A 61 27.896 -12.511 2.530 1.00 62.30 C ATOM 993 C ASP A 61 27.140 -11.355 1.914 1.00 23.25 C ATOM 994 O ASP A 61 26.030 -11.014 2.337 1.00 41.02 O ATOM 995 CB ASP A 61 28.297 -12.171 3.979 1.00 4.03 C ATOM 996 CG ASP A 61 29.308 -11.030 4.043 1.00 13.24 C ATOM 997 OD1 ASP A 61 29.772 -10.591 3.007 1.00 33.05 O ATOM 998 OD2 ASP A 61 29.610 -10.606 5.142 1.00 24.14 O ATOM 0 HA ASP A 61 27.250 -13.388 2.555 1.00 62.30 H new ATOM 0 HB2 ASP A 61 27.407 -11.898 4.546 1.00 4.03 H new ATOM 0 HB3 ASP A 61 28.719 -13.056 4.455 1.00 4.03 H new ATOM 1003 N GLN A 62 27.784 -10.706 0.967 1.00 12.52 N ATOM 1004 CA GLN A 62 27.236 -9.534 0.314 1.00 34.33 C ATOM 1005 C GLN A 62 26.057 -9.922 -0.576 1.00 44.45 C ATOM 1006 O GLN A 62 25.271 -9.061 -0.996 1.00 1.43 O ATOM 1007 CB GLN A 62 28.318 -8.857 -0.536 1.00 0.02 C ATOM 1008 CG GLN A 62 29.558 -8.578 0.326 1.00 25.23 C ATOM 1009 CD GLN A 62 29.209 -7.652 1.480 1.00 11.12 C ATOM 1010 OE1 GLN A 62 28.792 -6.512 1.262 1.00 1.45 O ATOM 1011 NE2 GLN A 62 29.323 -8.081 2.697 1.00 15.21 N ATOM 0 H GLN A 62 28.706 -10.977 0.626 1.00 12.52 H new ATOM 0 HA GLN A 62 26.888 -8.841 1.080 1.00 34.33 H new ATOM 0 HB2 GLN A 62 28.585 -9.496 -1.378 1.00 0.02 H new ATOM 0 HB3 GLN A 62 27.936 -7.925 -0.952 1.00 0.02 H new ATOM 0 HG2 GLN A 62 29.957 -9.516 0.713 1.00 25.23 H new ATOM 0 HG3 GLN A 62 30.339 -8.127 -0.286 1.00 25.23 H new ATOM 0 HE21 GLN A 62 29.668 -9.024 2.875 1.00 15.21 H new ATOM 0 HE22 GLN A 62 29.068 -7.476 3.477 1.00 15.21 H new ATOM 1020 N GLU A 63 25.991 -11.202 -0.932 1.00 4.31 N ATOM 1021 CA GLU A 63 24.968 -11.681 -1.845 1.00 63.23 C ATOM 1022 C GLU A 63 23.559 -11.365 -1.369 1.00 22.23 C ATOM 1023 O GLU A 63 23.305 -11.155 -0.173 1.00 10.12 O ATOM 1024 CB GLU A 63 25.107 -13.182 -2.152 1.00 4.24 C ATOM 1025 CG GLU A 63 25.276 -13.388 -3.672 1.00 13.54 C ATOM 1026 CD GLU A 63 24.129 -12.726 -4.434 1.00 55.25 C ATOM 1027 OE1 GLU A 63 23.021 -13.202 -4.343 1.00 33.23 O ATOM 1028 OE2 GLU A 63 24.369 -11.735 -5.081 1.00 51.42 O ATOM 0 H GLU A 63 26.634 -11.921 -0.601 1.00 4.31 H new ATOM 0 HA GLU A 63 25.133 -11.133 -2.773 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.966 -13.594 -1.622 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.227 -13.719 -1.798 1.00 4.24 H new ATOM 0 HG2 GLU A 63 26.227 -12.967 -3.998 1.00 13.54 H new ATOM 0 HG3 GLU A 63 25.304 -14.454 -3.899 1.00 13.54 H new ATOM 1035 N THR A 64 22.659 -11.355 -2.322 1.00 35.12 N ATOM 1036 CA THR A 64 21.260 -11.089 -2.111 1.00 71.14 C ATOM 1037 C THR A 64 20.631 -12.194 -1.264 1.00 54.02 C ATOM 1038 O THR A 64 21.061 -13.343 -1.321 1.00 2.04 O ATOM 1039 CB THR A 64 20.579 -11.056 -3.485 1.00 71.33 C ATOM 1040 OG1 THR A 64 21.583 -10.975 -4.503 1.00 5.15 O ATOM 1041 CG2 THR A 64 19.662 -9.843 -3.585 1.00 70.13 C ATOM 0 H THR A 64 22.890 -11.538 -3.298 1.00 35.12 H new ATOM 0 HA THR A 64 21.136 -10.140 -1.589 1.00 71.14 H new ATOM 0 HB THR A 64 19.987 -11.962 -3.615 1.00 71.33 H new ATOM 0 HG1 THR A 64 21.868 -11.878 -4.754 1.00 5.15 H new ATOM 0 HG21 THR A 64 19.183 -9.829 -4.564 1.00 70.13 H new ATOM 0 HG22 THR A 64 18.899 -9.899 -2.809 1.00 70.13 H new ATOM 0 HG23 THR A 64 20.247 -8.933 -3.454 1.00 70.13 H new ATOM 1049 N LEU A 65 19.552 -11.872 -0.568 1.00 11.25 N ATOM 1050 CA LEU A 65 18.824 -12.877 0.199 1.00 22.02 C ATOM 1051 C LEU A 65 18.298 -13.921 -0.753 1.00 11.33 C ATOM 1052 O LEU A 65 18.344 -15.123 -0.484 1.00 62.22 O ATOM 1053 CB LEU A 65 17.653 -12.244 0.953 1.00 34.52 C ATOM 1054 CG LEU A 65 18.181 -11.277 2.010 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.013 -10.600 2.722 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.047 -12.026 3.021 1.00 30.03 C ATOM 0 H LEU A 65 19.161 -10.931 -0.517 1.00 11.25 H new ATOM 0 HA LEU A 65 19.499 -13.327 0.927 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.003 -11.716 0.256 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.051 -13.020 1.425 1.00 34.52 H new ATOM 0 HG LEU A 65 18.790 -10.516 1.522 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.396 -9.911 3.475 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.415 -10.049 1.997 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.393 -11.356 3.204 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.418 -11.327 3.770 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.452 -12.798 3.508 1.00 30.03 H new ATOM 0 HD23 LEU A 65 19.890 -12.488 2.507 1.00 30.03 H new ATOM 1068 N HIS A 66 17.847 -13.448 -1.900 1.00 73.23 N ATOM 1069 CA HIS A 66 17.358 -14.320 -2.948 1.00 34.14 C ATOM 1070 C HIS A 66 18.369 -15.425 -3.258 1.00 10.32 C ATOM 1071 O HIS A 66 18.019 -16.436 -3.866 1.00 1.13 O ATOM 1072 CB HIS A 66 17.044 -13.508 -4.218 1.00 25.42 C ATOM 1073 CG HIS A 66 16.417 -14.401 -5.256 1.00 52.33 C ATOM 1074 ND1 HIS A 66 16.841 -14.406 -6.576 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.409 -15.333 -5.181 1.00 15.50 C ATOM 1076 CE1 HIS A 66 16.099 -15.317 -7.235 1.00 44.55 C ATOM 1077 NE2 HIS A 66 15.211 -15.911 -6.431 1.00 53.54 N ATOM 0 H HIS A 66 17.810 -12.455 -2.129 1.00 73.23 H new ATOM 0 HA HIS A 66 16.440 -14.790 -2.597 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.369 -12.686 -3.977 1.00 25.42 H new ATOM 0 HB3 HIS A 66 17.958 -13.064 -4.612 1.00 25.42 H new ATOM 0 HD2 HIS A 66 14.855 -15.579 -4.287 1.00 15.50 H new ATOM 0 HE1 HIS A 66 16.208 -15.541 -8.286 1.00 44.55 H new ATOM 0 HE2 HIS A 66 14.534 -16.632 -6.680 1.00 53.54 H new ATOM 1086 N SER A 67 19.616 -15.245 -2.830 1.00 14.51 N ATOM 1087 CA SER A 67 20.659 -16.233 -3.098 1.00 21.22 C ATOM 1088 C SER A 67 20.234 -17.615 -2.617 1.00 5.04 C ATOM 1089 O SER A 67 20.296 -18.581 -3.372 1.00 31.30 O ATOM 1090 CB SER A 67 21.948 -15.825 -2.390 1.00 53.23 C ATOM 1091 OG SER A 67 21.667 -15.598 -1.013 1.00 52.30 O ATOM 0 H SER A 67 19.928 -14.431 -2.300 1.00 14.51 H new ATOM 0 HA SER A 67 20.824 -16.274 -4.175 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.700 -16.606 -2.497 1.00 53.23 H new ATOM 0 HB3 SER A 67 22.358 -14.923 -2.844 1.00 53.23 H new ATOM 0 HG SER A 67 21.550 -14.638 -0.857 1.00 52.30 H new ATOM 1097 N HIS A 68 19.676 -17.679 -1.415 1.00 71.23 N ATOM 1098 CA HIS A 68 19.145 -18.944 -0.888 1.00 44.15 C ATOM 1099 C HIS A 68 17.858 -19.319 -1.599 1.00 51.40 C ATOM 1100 O HIS A 68 17.192 -20.290 -1.239 1.00 71.43 O ATOM 1101 CB HIS A 68 18.906 -18.867 0.634 1.00 24.14 C ATOM 1102 CG HIS A 68 18.590 -20.247 1.164 1.00 33.13 C ATOM 1103 ND1 HIS A 68 17.669 -20.468 2.188 1.00 40.22 N ATOM 1104 CD2 HIS A 68 19.051 -21.488 0.807 1.00 74.41 C ATOM 1105 CE1 HIS A 68 17.618 -21.798 2.399 1.00 31.20 C ATOM 1106 NE2 HIS A 68 18.440 -22.464 1.585 1.00 62.11 N ATOM 0 H HIS A 68 19.577 -16.882 -0.786 1.00 71.23 H new ATOM 0 HA HIS A 68 19.892 -19.716 -1.074 1.00 44.15 H new ATOM 0 HB2 HIS A 68 19.790 -18.468 1.132 1.00 24.14 H new ATOM 0 HB3 HIS A 68 18.083 -18.185 0.850 1.00 24.14 H new ATOM 0 HD1 HIS A 68 17.134 -19.756 2.685 1.00 40.22 H new ATOM 0 HD2 HIS A 68 19.781 -21.679 0.035 1.00 74.41 H new ATOM 0 HE1 HIS A 68 16.987 -22.269 3.138 1.00 31.20 H new ATOM 1115 N GLY A 69 17.460 -18.493 -2.539 1.00 24.31 N ATOM 1116 CA GLY A 69 16.206 -18.678 -3.226 1.00 1.43 C ATOM 1117 C GLY A 69 15.101 -17.996 -2.459 1.00 24.22 C ATOM 1118 O GLY A 69 13.929 -18.111 -2.814 1.00 54.34 O ATOM 0 H GLY A 69 17.993 -17.680 -2.846 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.269 -18.268 -4.234 1.00 1.43 H new ATOM 0 HA3 GLY A 69 15.989 -19.741 -3.327 1.00 1.43 H new ATOM 1122 N VAL A 70 15.486 -17.224 -1.434 1.00 14.11 N ATOM 1123 CA VAL A 70 14.522 -16.468 -0.661 1.00 2.23 C ATOM 1124 C VAL A 70 13.850 -15.468 -1.587 1.00 63.41 C ATOM 1125 O VAL A 70 14.351 -14.367 -1.802 1.00 21.42 O ATOM 1126 CB VAL A 70 15.228 -15.741 0.501 1.00 22.03 C ATOM 1127 CG1 VAL A 70 14.190 -15.196 1.484 1.00 73.22 C ATOM 1128 CG2 VAL A 70 16.161 -16.718 1.237 1.00 4.51 C ATOM 0 H VAL A 70 16.454 -17.114 -1.131 1.00 14.11 H new ATOM 0 HA VAL A 70 13.774 -17.135 -0.233 1.00 2.23 H new ATOM 0 HB VAL A 70 15.812 -14.914 0.096 1.00 22.03 H new ATOM 0 HG11 VAL A 70 14.697 -14.684 2.302 1.00 73.22 H new ATOM 0 HG12 VAL A 70 13.534 -14.495 0.968 1.00 73.22 H new ATOM 0 HG13 VAL A 70 13.599 -16.020 1.883 1.00 73.22 H new ATOM 0 HG21 VAL A 70 16.657 -16.199 2.057 1.00 4.51 H new ATOM 0 HG22 VAL A 70 15.578 -17.549 1.633 1.00 4.51 H new ATOM 0 HG23 VAL A 70 16.910 -17.099 0.543 1.00 4.51 H new ATOM 1138 N ARG A 71 12.824 -15.935 -2.252 1.00 60.24 N ATOM 1139 CA ARG A 71 12.140 -15.187 -3.285 1.00 5.14 C ATOM 1140 C ARG A 71 10.874 -14.559 -2.733 1.00 73.44 C ATOM 1141 O ARG A 71 10.429 -13.503 -3.206 1.00 42.30 O ATOM 1142 CB ARG A 71 11.819 -16.149 -4.438 1.00 72.31 C ATOM 1143 CG ARG A 71 11.189 -15.427 -5.631 1.00 42.42 C ATOM 1144 CD ARG A 71 10.999 -16.457 -6.751 1.00 13.23 C ATOM 1145 NE ARG A 71 10.530 -15.844 -7.991 1.00 43.00 N ATOM 1146 CZ ARG A 71 10.361 -16.580 -9.095 1.00 42.14 C ATOM 1147 NH1 ARG A 71 10.661 -17.850 -9.071 1.00 15.55 N ATOM 1148 NH2 ARG A 71 9.912 -16.035 -10.188 1.00 31.11 N ATOM 0 H ARG A 71 12.431 -16.862 -2.090 1.00 60.24 H new ATOM 0 HA ARG A 71 12.774 -14.378 -3.648 1.00 5.14 H new ATOM 0 HB2 ARG A 71 12.733 -16.648 -4.758 1.00 72.31 H new ATOM 0 HB3 ARG A 71 11.140 -16.925 -4.084 1.00 72.31 H new ATOM 0 HG2 ARG A 71 10.232 -14.987 -5.350 1.00 42.42 H new ATOM 0 HG3 ARG A 71 11.829 -14.611 -5.966 1.00 42.42 H new ATOM 0 HD2 ARG A 71 11.943 -16.969 -6.935 1.00 13.23 H new ATOM 0 HD3 ARG A 71 10.284 -17.214 -6.429 1.00 13.23 H new ATOM 0 HE ARG A 71 10.329 -14.844 -8.015 1.00 43.00 H new ATOM 0 HH11 ARG A 71 11.021 -18.273 -8.215 1.00 15.55 H new ATOM 0 HH12 ARG A 71 10.536 -18.420 -9.908 1.00 15.55 H new ATOM 0 HH21 ARG A 71 9.686 -15.040 -10.207 1.00 31.11 H new ATOM 0 HH22 ARG A 71 9.786 -16.602 -11.026 1.00 31.11 H new ATOM 1162 N GLN A 72 10.264 -15.242 -1.776 1.00 22.33 N ATOM 1163 CA GLN A 72 9.002 -14.811 -1.194 1.00 11.22 C ATOM 1164 C GLN A 72 8.955 -15.153 0.285 1.00 63.41 C ATOM 1165 O GLN A 72 9.827 -15.851 0.791 1.00 54.20 O ATOM 1166 CB GLN A 72 7.826 -15.475 -1.932 1.00 72.22 C ATOM 1167 CG GLN A 72 7.826 -16.990 -1.690 1.00 11.44 C ATOM 1168 CD GLN A 72 8.602 -17.675 -2.795 1.00 64.24 C ATOM 1169 OE1 GLN A 72 8.074 -17.876 -3.897 1.00 55.53 O ATOM 1170 NE2 GLN A 72 9.818 -18.044 -2.585 1.00 55.43 N ATOM 0 H GLN A 72 10.629 -16.109 -1.382 1.00 22.33 H new ATOM 0 HA GLN A 72 8.920 -13.729 -1.301 1.00 11.22 H new ATOM 0 HB2 GLN A 72 6.885 -15.046 -1.589 1.00 72.22 H new ATOM 0 HB3 GLN A 72 7.898 -15.271 -3.000 1.00 72.22 H new ATOM 0 HG2 GLN A 72 8.274 -17.215 -0.722 1.00 11.44 H new ATOM 0 HG3 GLN A 72 6.803 -17.365 -1.662 1.00 11.44 H new ATOM 0 HE21 GLN A 72 10.252 -17.878 -1.677 1.00 55.43 H new ATOM 0 HE22 GLN A 72 10.347 -18.502 -3.327 1.00 55.43 H new ATOM 1179 N ASN A 73 7.907 -14.714 0.964 1.00 71.53 N ATOM 1180 CA ASN A 73 7.745 -15.066 2.370 1.00 20.42 C ATOM 1181 C ASN A 73 7.574 -16.572 2.496 1.00 52.02 C ATOM 1182 O ASN A 73 7.323 -17.261 1.503 1.00 44.32 O ATOM 1183 CB ASN A 73 6.549 -14.327 3.000 1.00 43.42 C ATOM 1184 CG ASN A 73 5.284 -15.169 2.907 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.031 -16.007 3.772 1.00 70.33 O ATOM 1186 ND2 ASN A 73 4.477 -15.001 1.914 1.00 55.51 N ATOM 0 H ASN A 73 7.169 -14.126 0.577 1.00 71.53 H new ATOM 0 HA ASN A 73 8.638 -14.757 2.913 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.765 -14.101 4.044 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.396 -13.375 2.492 1.00 43.42 H new ATOM 0 HD21 ASN A 73 3.629 -15.563 1.846 1.00 55.51 H new ATOM 0 HD22 ASN A 73 4.688 -14.306 1.198 1.00 55.51 H new ATOM 1193 N GLY A 74 7.812 -17.096 3.675 1.00 42.33 N ATOM 1194 CA GLY A 74 7.755 -18.529 3.880 1.00 72.21 C ATOM 1195 C GLY A 74 9.118 -19.142 3.642 1.00 53.51 C ATOM 1196 O GLY A 74 9.397 -20.261 4.077 1.00 53.41 O ATOM 0 H GLY A 74 8.047 -16.555 4.507 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.422 -18.746 4.895 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.025 -18.972 3.203 1.00 72.21 H new ATOM 1200 N ASP A 75 9.984 -18.387 2.981 1.00 74.32 N ATOM 1201 CA ASP A 75 11.338 -18.836 2.729 1.00 40.23 C ATOM 1202 C ASP A 75 12.128 -18.837 4.025 1.00 33.23 C ATOM 1203 O ASP A 75 11.808 -18.089 4.961 1.00 22.31 O ATOM 1204 CB ASP A 75 12.017 -17.985 1.638 1.00 54.44 C ATOM 1205 CG ASP A 75 11.531 -18.404 0.243 1.00 32.10 C ATOM 1206 OD1 ASP A 75 11.094 -19.530 0.103 1.00 43.04 O ATOM 1207 OD2 ASP A 75 11.588 -17.598 -0.665 1.00 41.44 O ATOM 0 H ASP A 75 9.769 -17.461 2.611 1.00 74.32 H new ATOM 0 HA ASP A 75 11.307 -19.857 2.350 1.00 40.23 H new ATOM 0 HB2 ASP A 75 11.798 -16.930 1.803 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.099 -18.099 1.701 1.00 54.44 H new ATOM 1212 N SER A 76 13.024 -19.787 4.151 1.00 54.11 N ATOM 1213 CA SER A 76 13.711 -20.019 5.411 1.00 54.23 C ATOM 1214 C SER A 76 15.234 -20.019 5.232 1.00 1.51 C ATOM 1215 O SER A 76 15.744 -20.374 4.165 1.00 74.44 O ATOM 1216 CB SER A 76 13.259 -21.370 5.976 1.00 52.41 C ATOM 1217 OG SER A 76 11.911 -21.633 5.565 1.00 21.32 O ATOM 0 H SER A 76 13.299 -20.417 3.397 1.00 54.11 H new ATOM 0 HA SER A 76 13.459 -19.212 6.098 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.919 -22.163 5.624 1.00 52.41 H new ATOM 0 HB3 SER A 76 13.324 -21.361 7.064 1.00 52.41 H new ATOM 0 HG SER A 76 11.298 -21.057 6.067 1.00 21.32 H new ATOM 1223 N ALA A 77 15.953 -19.685 6.301 1.00 33.13 N ATOM 1224 CA ALA A 77 17.418 -19.751 6.318 1.00 74.42 C ATOM 1225 C ALA A 77 17.889 -20.346 7.642 1.00 71.15 C ATOM 1226 O ALA A 77 17.084 -20.541 8.560 1.00 14.41 O ATOM 1227 CB ALA A 77 18.052 -18.375 6.083 1.00 5.24 C ATOM 0 H ALA A 77 15.542 -19.362 7.177 1.00 33.13 H new ATOM 0 HA ALA A 77 17.740 -20.395 5.500 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.138 -18.467 6.103 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.738 -17.991 5.113 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.731 -17.688 6.866 1.00 5.24 H new ATOM 1233 N TYR A 78 19.159 -20.721 7.713 1.00 12.02 N ATOM 1234 CA TYR A 78 19.669 -21.428 8.886 1.00 11.21 C ATOM 1235 C TYR A 78 20.782 -20.636 9.575 1.00 11.53 C ATOM 1236 O TYR A 78 21.804 -20.338 8.957 1.00 70.42 O ATOM 1237 CB TYR A 78 20.214 -22.789 8.443 1.00 33.45 C ATOM 1238 CG TYR A 78 19.991 -23.821 9.519 1.00 43.33 C ATOM 1239 CD1 TYR A 78 18.757 -24.470 9.596 1.00 61.00 C ATOM 1240 CD2 TYR A 78 21.009 -24.140 10.422 1.00 21.22 C ATOM 1241 CE1 TYR A 78 18.535 -25.435 10.572 1.00 1.34 C ATOM 1242 CE2 TYR A 78 20.787 -25.113 11.402 1.00 41.13 C ATOM 1243 CZ TYR A 78 19.545 -25.761 11.477 1.00 43.02 C ATOM 1244 OH TYR A 78 19.322 -26.727 12.432 1.00 40.42 O ATOM 0 H TYR A 78 19.850 -20.551 6.983 1.00 12.02 H new ATOM 0 HA TYR A 78 18.854 -21.553 9.598 1.00 11.21 H new ATOM 0 HB2 TYR A 78 19.722 -23.102 7.522 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.279 -22.707 8.224 1.00 33.45 H new ATOM 0 HD1 TYR A 78 17.973 -24.222 8.896 1.00 61.00 H new ATOM 0 HD2 TYR A 78 21.963 -23.637 10.363 1.00 21.22 H new ATOM 0 HE1 TYR A 78 17.579 -25.933 10.629 1.00 1.34 H new ATOM 0 HE2 TYR A 78 21.571 -25.365 12.100 1.00 41.13 H new ATOM 0 HH TYR A 78 20.176 -26.995 12.832 1.00 40.42 H new ATOM 1254 N LEU A 79 20.639 -20.429 10.878 1.00 25.24 N ATOM 1255 CA LEU A 79 21.683 -19.809 11.694 1.00 53.21 C ATOM 1256 C LEU A 79 22.323 -20.781 12.651 1.00 53.55 C ATOM 1257 O LEU A 79 21.658 -21.364 13.510 1.00 62.25 O ATOM 1258 CB LEU A 79 21.174 -18.585 12.470 1.00 53.33 C ATOM 1259 CG LEU A 79 21.355 -17.321 11.634 1.00 44.43 C ATOM 1260 CD1 LEU A 79 20.688 -16.140 12.346 1.00 75.51 C ATOM 1261 CD2 LEU A 79 22.858 -17.034 11.500 1.00 71.21 C ATOM 0 H LEU A 79 19.801 -20.684 11.400 1.00 25.24 H new ATOM 0 HA LEU A 79 22.440 -19.477 10.983 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.122 -18.716 12.722 1.00 53.33 H new ATOM 0 HB3 LEU A 79 21.717 -18.489 13.410 1.00 53.33 H new ATOM 0 HG LEU A 79 20.904 -17.459 10.651 1.00 44.43 H new ATOM 0 HD11 LEU A 79 20.816 -15.236 11.750 1.00 75.51 H new ATOM 0 HD12 LEU A 79 19.625 -16.344 12.471 1.00 75.51 H new ATOM 0 HD13 LEU A 79 21.148 -15.998 13.324 1.00 75.51 H new ATOM 0 HD21 LEU A 79 23.005 -16.133 10.905 1.00 71.21 H new ATOM 0 HD22 LEU A 79 23.290 -16.889 12.490 1.00 71.21 H new ATOM 0 HD23 LEU A 79 23.347 -17.876 11.010 1.00 71.21 H new ATOM 1273 N TYR A 80 23.629 -20.808 12.607 1.00 5.12 N ATOM 1274 CA TYR A 80 24.439 -21.545 13.545 1.00 41.02 C ATOM 1275 C TYR A 80 25.265 -20.530 14.324 1.00 42.44 C ATOM 1276 O TYR A 80 25.890 -19.659 13.718 1.00 55.24 O ATOM 1277 CB TYR A 80 25.345 -22.493 12.747 1.00 20.13 C ATOM 1278 CG TYR A 80 26.301 -23.238 13.643 1.00 72.33 C ATOM 1279 CD1 TYR A 80 25.880 -24.383 14.329 1.00 60.13 C ATOM 1280 CD2 TYR A 80 27.619 -22.794 13.764 1.00 32.42 C ATOM 1281 CE1 TYR A 80 26.782 -25.082 15.134 1.00 34.21 C ATOM 1282 CE2 TYR A 80 28.518 -23.490 14.574 1.00 4.45 C ATOM 1283 CZ TYR A 80 28.101 -24.634 15.255 1.00 1.20 C ATOM 1284 OH TYR A 80 28.991 -25.330 16.044 1.00 2.11 O ATOM 0 H TYR A 80 24.172 -20.308 11.903 1.00 5.12 H new ATOM 0 HA TYR A 80 23.838 -22.134 14.238 1.00 41.02 H new ATOM 0 HB2 TYR A 80 24.731 -23.206 12.197 1.00 20.13 H new ATOM 0 HB3 TYR A 80 25.908 -21.922 12.009 1.00 20.13 H new ATOM 0 HD1 TYR A 80 24.860 -24.725 14.236 1.00 60.13 H new ATOM 0 HD2 TYR A 80 27.943 -21.912 13.231 1.00 32.42 H new ATOM 0 HE1 TYR A 80 26.461 -25.968 15.662 1.00 34.21 H new ATOM 0 HE2 TYR A 80 29.536 -23.143 14.673 1.00 4.45 H new ATOM 0 HH TYR A 80 29.865 -24.888 16.020 1.00 2.11 H new ATOM 1294 N LEU A 81 25.144 -20.526 15.646 1.00 0.03 N ATOM 1295 CA LEU A 81 25.805 -19.490 16.446 1.00 31.14 C ATOM 1296 C LEU A 81 26.951 -20.057 17.263 1.00 52.43 C ATOM 1297 O LEU A 81 26.837 -21.129 17.859 1.00 25.33 O ATOM 1298 CB LEU A 81 24.806 -18.752 17.343 1.00 11.44 C ATOM 1299 CG LEU A 81 23.673 -18.180 16.479 1.00 63.32 C ATOM 1300 CD1 LEU A 81 22.651 -17.465 17.360 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.233 -17.192 15.450 1.00 62.13 C ATOM 0 H LEU A 81 24.608 -21.209 16.181 1.00 0.03 H new ATOM 0 HA LEU A 81 26.225 -18.767 15.747 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.400 -19.433 18.091 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.308 -17.949 17.882 1.00 11.44 H new ATOM 0 HG LEU A 81 23.189 -19.005 15.957 1.00 63.32 H new ATOM 0 HD11 LEU A 81 21.852 -17.063 16.737 1.00 74.33 H new ATOM 0 HD12 LEU A 81 22.232 -18.171 18.077 1.00 74.33 H new ATOM 0 HD13 LEU A 81 23.139 -16.650 17.895 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.418 -16.795 14.845 1.00 62.13 H new ATOM 0 HD22 LEU A 81 24.733 -16.373 15.967 1.00 62.13 H new ATOM 0 HD23 LEU A 81 24.947 -17.704 14.805 1.00 62.13 H new ATOM 1313 N LEU A 82 28.069 -19.362 17.218 1.00 41.20 N ATOM 1314 CA LEU A 82 29.310 -19.797 17.863 1.00 33.24 C ATOM 1315 C LEU A 82 29.276 -19.641 19.375 1.00 52.35 C ATOM 1316 O LEU A 82 28.647 -18.724 19.910 1.00 61.23 O ATOM 1317 CB LEU A 82 30.501 -19.028 17.299 1.00 34.41 C ATOM 1318 CG LEU A 82 30.722 -19.419 15.834 1.00 5.31 C ATOM 1319 CD1 LEU A 82 31.766 -18.495 15.209 1.00 4.22 C ATOM 1320 CD2 LEU A 82 31.219 -20.868 15.761 1.00 74.54 C ATOM 0 H LEU A 82 28.152 -18.470 16.730 1.00 41.20 H new ATOM 0 HA LEU A 82 29.415 -20.860 17.646 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.323 -17.955 17.376 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.396 -19.245 17.882 1.00 34.41 H new ATOM 0 HG LEU A 82 29.782 -19.327 15.290 1.00 5.31 H new ATOM 0 HD11 LEU A 82 31.922 -18.774 14.167 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.416 -17.464 15.260 1.00 4.22 H new ATOM 0 HD13 LEU A 82 32.706 -18.587 15.754 1.00 4.22 H new ATOM 0 HD21 LEU A 82 31.376 -21.147 14.719 1.00 74.54 H new ATOM 0 HD22 LEU A 82 32.158 -20.958 16.307 1.00 74.54 H new ATOM 0 HD23 LEU A 82 30.476 -21.530 16.205 1.00 74.54 H new