USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 721 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 89:sc= 0.686 USER MOD Set 1.2: A 67 SER OG : rot -140:sc= 0.913 USER MOD Single : A 1 MET CE :methyl 136:sc= -0.233 (180deg=-1.27) USER MOD Single : A 1 MET N :NH3+ -111:sc= 1.33 (180deg=-0.935) USER MOD Single : A 3 THR OG1 : rot 171:sc= 1.02 USER MOD Single : A 4 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.27) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.471 F(o=-2.2,f=-0.47) USER MOD Single : A 17 MET CE :methyl -158:sc= -0.0715 (180deg=-0.713) USER MOD Single : A 18 HIS : no HE2:sc= -1.52! C(o=-1.5!,f=-8.2!) USER MOD Single : A 19 THR OG1 : rot -80:sc= 1.09 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 145:sc= -1.04 (180deg=-2.16!) USER MOD Single : A 31 THR OG1 : rot -109:sc= 1.12 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0.832 (180deg=-0.0523!) USER MOD Single : A 38 MET CE :methyl -156:sc= -4.21! (180deg=-8.47!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.67 USER MOD Single : A 50 GLN : amide:sc= -4.75! C(o=-4.7!,f=-11!) USER MOD Single : A 51 GLN :FLIP amide:sc= -2.74! C(o=-3.6!,f=-2.7!) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0451 F(o=-0.86!,f=-0.045) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.1) USER MOD Single : A 68 HIS : no HD1:sc= -7.44! C(o=-7.4!,f=-7!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.11 F(o=-1.4,f=-0.11) USER MOD Single : A 76 SER OG : rot -68:sc= 1.1 USER MOD Single : A 78 TYR OH : rot -91:sc= 0.183 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0383 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0713 USER MOD Single : A 86 ASN : amide:sc= -0.582! C(o=-0.58!,f=-7.7!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.162 X(o=0.16,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.344 -1.241 0.934 1.00 3.24 N ATOM 2 CA MET A 1 9.413 0.215 0.642 1.00 12.54 C ATOM 3 C MET A 1 8.677 0.494 -0.694 1.00 41.00 C ATOM 4 O MET A 1 7.447 0.429 -0.710 1.00 41.40 O ATOM 5 CB MET A 1 10.876 0.706 0.667 1.00 64.21 C ATOM 6 CG MET A 1 11.401 0.692 2.111 1.00 31.12 C ATOM 7 SD MET A 1 13.093 1.342 2.155 1.00 74.30 S ATOM 8 CE MET A 1 12.718 3.050 1.689 1.00 21.22 C ATOM 0 H1 MET A 1 8.728 -1.401 1.756 1.00 3.24 H new ATOM 0 H2 MET A 1 8.958 -1.743 0.109 1.00 3.24 H new ATOM 0 H3 MET A 1 10.298 -1.599 1.142 1.00 3.24 H new ATOM 0 HA MET A 1 8.904 0.789 1.416 1.00 12.54 H new ATOM 0 HB2 MET A 1 11.495 0.066 0.038 1.00 64.21 H new ATOM 0 HB3 MET A 1 10.939 1.714 0.256 1.00 64.21 H new ATOM 0 HG2 MET A 1 10.754 1.294 2.749 1.00 31.12 H new ATOM 0 HG3 MET A 1 11.382 -0.324 2.505 1.00 31.12 H new ATOM 0 HE1 MET A 1 13.278 3.733 2.328 1.00 21.22 H new ATOM 0 HE2 MET A 1 13.000 3.214 0.649 1.00 21.22 H new ATOM 0 HE3 MET A 1 11.650 3.234 1.809 1.00 21.22 H new ATOM 20 N PRO A 2 9.350 0.664 -1.851 1.00 54.43 N ATOM 21 CA PRO A 2 8.612 0.770 -3.149 1.00 61.14 C ATOM 22 C PRO A 2 7.650 -0.398 -3.303 1.00 54.42 C ATOM 23 O PRO A 2 6.505 -0.221 -3.715 1.00 70.24 O ATOM 24 CB PRO A 2 9.718 0.678 -4.197 1.00 31.13 C ATOM 25 CG PRO A 2 10.928 1.221 -3.520 1.00 35.04 C ATOM 26 CD PRO A 2 10.822 0.789 -2.058 1.00 21.25 C ATOM 0 HA PRO A 2 8.019 1.681 -3.229 1.00 61.14 H new ATOM 0 HB2 PRO A 2 9.873 -0.352 -4.519 1.00 31.13 H new ATOM 0 HB3 PRO A 2 9.469 1.256 -5.087 1.00 31.13 H new ATOM 0 HG2 PRO A 2 11.838 0.832 -3.977 1.00 35.04 H new ATOM 0 HG3 PRO A 2 10.968 2.307 -3.604 1.00 35.04 H new ATOM 0 HD2 PRO A 2 11.337 -0.155 -1.878 1.00 21.25 H new ATOM 0 HD3 PRO A 2 11.263 1.526 -1.386 1.00 21.25 H new ATOM 34 N THR A 3 8.078 -1.559 -2.845 1.00 60.23 N ATOM 35 CA THR A 3 7.218 -2.728 -2.823 1.00 34.02 C ATOM 36 C THR A 3 7.193 -3.279 -1.413 1.00 24.54 C ATOM 37 O THR A 3 8.047 -2.919 -0.585 1.00 23.13 O ATOM 38 CB THR A 3 7.739 -3.801 -3.805 1.00 41.34 C ATOM 39 OG1 THR A 3 8.691 -4.640 -3.150 1.00 64.32 O ATOM 40 CG2 THR A 3 8.411 -3.123 -5.005 1.00 33.11 C ATOM 0 H THR A 3 9.018 -1.718 -2.482 1.00 60.23 H new ATOM 0 HA THR A 3 6.211 -2.449 -3.132 1.00 34.02 H new ATOM 0 HB THR A 3 6.897 -4.403 -4.147 1.00 41.34 H new ATOM 0 HG1 THR A 3 8.908 -5.401 -3.727 1.00 64.32 H new ATOM 0 HG21 THR A 3 8.777 -3.884 -5.695 1.00 33.11 H new ATOM 0 HG22 THR A 3 7.688 -2.488 -5.516 1.00 33.11 H new ATOM 0 HG23 THR A 3 9.247 -2.515 -4.658 1.00 33.11 H new ATOM 48 N GLN A 4 6.269 -4.178 -1.140 1.00 24.52 N ATOM 49 CA GLN A 4 6.239 -4.822 0.156 1.00 33.21 C ATOM 50 C GLN A 4 7.391 -5.798 0.234 1.00 75.12 C ATOM 51 O GLN A 4 7.861 -6.298 -0.795 1.00 45.13 O ATOM 52 CB GLN A 4 4.918 -5.573 0.379 1.00 50.20 C ATOM 53 CG GLN A 4 3.739 -4.592 0.363 1.00 63.15 C ATOM 54 CD GLN A 4 3.858 -3.606 1.513 1.00 61.42 C ATOM 55 OE1 GLN A 4 3.825 -4.002 2.684 1.00 73.13 O ATOM 56 NE2 GLN A 4 4.011 -2.346 1.258 1.00 13.31 N ATOM 0 H GLN A 4 5.539 -4.476 -1.788 1.00 24.52 H new ATOM 0 HA GLN A 4 6.325 -4.059 0.929 1.00 33.21 H new ATOM 0 HB2 GLN A 4 4.784 -6.326 -0.398 1.00 50.20 H new ATOM 0 HB3 GLN A 4 4.948 -6.101 1.332 1.00 50.20 H new ATOM 0 HG2 GLN A 4 3.717 -4.055 -0.585 1.00 63.15 H new ATOM 0 HG3 GLN A 4 2.800 -5.140 0.441 1.00 63.15 H new ATOM 0 HE21 GLN A 4 4.038 -2.021 0.292 1.00 13.31 H new ATOM 0 HE22 GLN A 4 4.105 -1.678 2.024 1.00 13.31 H new ATOM 65 N ASP A 5 7.848 -6.059 1.433 1.00 70.34 N ATOM 66 CA ASP A 5 8.923 -7.006 1.656 1.00 52.01 C ATOM 67 C ASP A 5 8.353 -8.410 1.761 1.00 14.04 C ATOM 68 O ASP A 5 7.130 -8.600 1.698 1.00 34.30 O ATOM 69 CB ASP A 5 9.714 -6.641 2.923 1.00 72.04 C ATOM 70 CG ASP A 5 10.526 -5.372 2.701 1.00 32.43 C ATOM 71 OD1 ASP A 5 11.163 -5.261 1.667 1.00 63.22 O ATOM 72 OD2 ASP A 5 10.512 -4.523 3.568 1.00 71.24 O ATOM 0 H ASP A 5 7.489 -5.625 2.283 1.00 70.34 H new ATOM 0 HA ASP A 5 9.611 -6.967 0.811 1.00 52.01 H new ATOM 0 HB2 ASP A 5 9.028 -6.499 3.758 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.379 -7.462 3.192 1.00 72.04 H new ATOM 77 N ILE A 6 9.220 -9.384 1.944 1.00 61.21 N ATOM 78 CA ILE A 6 8.805 -10.769 2.079 1.00 73.32 C ATOM 79 C ILE A 6 9.299 -11.304 3.413 1.00 11.45 C ATOM 80 O ILE A 6 10.265 -10.775 3.975 1.00 13.11 O ATOM 81 CB ILE A 6 9.375 -11.621 0.922 1.00 22.15 C ATOM 82 CG1 ILE A 6 10.906 -11.659 0.978 1.00 42.14 C ATOM 83 CG2 ILE A 6 8.960 -11.013 -0.425 1.00 61.31 C ATOM 84 CD1 ILE A 6 11.419 -12.692 -0.021 1.00 10.12 C ATOM 0 H ILE A 6 10.228 -9.241 2.003 1.00 61.21 H new ATOM 0 HA ILE A 6 7.717 -10.825 2.039 1.00 73.32 H new ATOM 0 HB ILE A 6 8.981 -12.632 1.023 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.315 -10.676 0.745 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.239 -11.912 1.985 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.364 -11.617 -1.237 1.00 61.31 H new ATOM 0 HG22 ILE A 6 7.872 -10.992 -0.495 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.348 -9.997 -0.501 1.00 61.31 H new ATOM 0 HD11 ILE A 6 12.508 -12.723 0.015 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.019 -13.674 0.233 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.097 -12.418 -1.026 1.00 10.12 H new ATOM 96 N ARG A 7 8.625 -12.321 3.943 1.00 43.32 N ATOM 97 CA ARG A 7 9.006 -12.867 5.240 1.00 44.44 C ATOM 98 C ARG A 7 9.895 -14.082 5.083 1.00 14.40 C ATOM 99 O ARG A 7 9.547 -15.036 4.371 1.00 73.14 O ATOM 100 CB ARG A 7 7.776 -13.222 6.083 1.00 13.53 C ATOM 101 CG ARG A 7 6.954 -11.955 6.340 1.00 74.33 C ATOM 102 CD ARG A 7 5.827 -12.253 7.336 1.00 62.21 C ATOM 103 NE ARG A 7 4.853 -13.182 6.774 1.00 62.41 N ATOM 104 CZ ARG A 7 3.833 -13.645 7.506 1.00 20.20 C ATOM 105 NH1 ARG A 7 3.709 -13.279 8.753 1.00 41.23 N ATOM 106 NH2 ARG A 7 2.970 -14.460 6.978 1.00 33.44 N ATOM 0 H ARG A 7 7.826 -12.777 3.503 1.00 43.32 H new ATOM 0 HA ARG A 7 9.566 -12.091 5.761 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.168 -13.964 5.566 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.085 -13.666 7.029 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.598 -11.167 6.732 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.535 -11.588 5.403 1.00 74.33 H new ATOM 0 HD2 ARG A 7 6.248 -12.673 8.249 1.00 62.21 H new ATOM 0 HD3 ARG A 7 5.329 -11.324 7.613 1.00 62.21 H new ATOM 0 HE ARG A 7 4.951 -13.484 5.805 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.389 -12.641 9.167 1.00 41.23 H new ATOM 0 HH12 ARG A 7 2.932 -13.631 9.313 1.00 41.23 H new ATOM 0 HH21 ARG A 7 3.070 -14.748 6.004 1.00 33.44 H new ATOM 0 HH22 ARG A 7 2.193 -14.812 7.537 1.00 33.44 H new ATOM 120 N LEU A 8 11.020 -14.047 5.773 1.00 14.31 N ATOM 121 CA LEU A 8 11.990 -15.122 5.773 1.00 32.33 C ATOM 122 C LEU A 8 12.093 -15.683 7.191 1.00 71.45 C ATOM 123 O LEU A 8 12.301 -14.919 8.151 1.00 32.14 O ATOM 124 CB LEU A 8 13.366 -14.564 5.338 1.00 51.41 C ATOM 125 CG LEU A 8 14.355 -15.697 4.990 1.00 41.23 C ATOM 126 CD1 LEU A 8 15.669 -15.093 4.498 1.00 43.15 C ATOM 127 CD2 LEU A 8 14.646 -16.554 6.215 1.00 70.54 C ATOM 0 H LEU A 8 11.288 -13.256 6.359 1.00 14.31 H new ATOM 0 HA LEU A 8 11.684 -15.908 5.083 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.238 -13.913 4.473 1.00 51.41 H new ATOM 0 HB3 LEU A 8 13.781 -13.952 6.139 1.00 51.41 H new ATOM 0 HG LEU A 8 13.905 -16.318 4.215 1.00 41.23 H new ATOM 0 HD11 LEU A 8 16.368 -15.893 4.252 1.00 43.15 H new ATOM 0 HD12 LEU A 8 15.482 -14.489 3.610 1.00 43.15 H new ATOM 0 HD13 LEU A 8 16.096 -14.466 5.280 1.00 43.15 H new ATOM 0 HD21 LEU A 8 15.345 -17.346 5.947 1.00 70.54 H new ATOM 0 HD22 LEU A 8 15.083 -15.934 6.998 1.00 70.54 H new ATOM 0 HD23 LEU A 8 13.718 -16.996 6.578 1.00 70.54 H new ATOM 139 N TRP A 9 11.989 -16.999 7.333 1.00 31.14 N ATOM 140 CA TRP A 9 12.143 -17.619 8.654 1.00 63.14 C ATOM 141 C TRP A 9 13.559 -18.100 8.805 1.00 61.44 C ATOM 142 O TRP A 9 14.070 -18.815 7.936 1.00 73.50 O ATOM 143 CB TRP A 9 11.228 -18.830 8.811 1.00 41.11 C ATOM 144 CG TRP A 9 9.891 -18.568 8.227 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.190 -17.420 8.336 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.096 -19.463 7.428 1.00 21.14 C ATOM 147 NE1 TRP A 9 7.997 -17.574 7.661 1.00 72.32 N ATOM 148 CE2 TRP A 9 7.897 -18.816 7.082 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.302 -20.774 6.979 1.00 61.33 C ATOM 150 CZ2 TRP A 9 6.929 -19.443 6.314 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.337 -21.413 6.200 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.147 -20.745 5.866 1.00 21.20 C ATOM 0 H TRP A 9 11.803 -17.650 6.571 1.00 31.14 H new ATOM 0 HA TRP A 9 11.887 -16.873 9.406 1.00 63.14 H new ATOM 0 HB2 TRP A 9 11.678 -19.695 8.324 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.125 -19.077 9.868 1.00 41.11 H new ATOM 0 HD1 TRP A 9 9.509 -16.532 8.862 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.277 -16.854 7.599 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.213 -21.293 7.237 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.013 -18.927 6.065 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.505 -22.422 5.853 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.401 -21.240 5.262 1.00 21.20 H new ATOM 163 N VAL A 10 14.178 -17.796 9.914 1.00 73.13 N ATOM 164 CA VAL A 10 15.522 -18.265 10.131 1.00 21.41 C ATOM 165 C VAL A 10 15.584 -19.125 11.380 1.00 54.12 C ATOM 166 O VAL A 10 15.233 -18.673 12.480 1.00 12.11 O ATOM 167 CB VAL A 10 16.472 -17.071 10.246 1.00 41.13 C ATOM 168 CG1 VAL A 10 17.923 -17.556 10.312 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.283 -16.138 9.044 1.00 2.31 C ATOM 0 H VAL A 10 13.783 -17.236 10.670 1.00 73.13 H new ATOM 0 HA VAL A 10 15.830 -18.877 9.283 1.00 21.41 H new ATOM 0 HB VAL A 10 16.244 -16.523 11.161 1.00 41.13 H new ATOM 0 HG11 VAL A 10 18.590 -16.698 10.394 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.052 -18.200 11.182 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.161 -18.116 9.408 1.00 72.42 H new ATOM 0 HG21 VAL A 10 16.962 -15.290 9.131 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.498 -16.682 8.124 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.254 -15.778 9.021 1.00 2.31 H new ATOM 179 N SER A 11 16.100 -20.329 11.223 1.00 71.44 N ATOM 180 CA SER A 11 16.309 -21.217 12.348 1.00 32.15 C ATOM 181 C SER A 11 17.691 -20.968 12.902 1.00 55.14 C ATOM 182 O SER A 11 18.651 -20.886 12.137 1.00 33.30 O ATOM 183 CB SER A 11 16.178 -22.672 11.900 1.00 73.42 C ATOM 184 OG SER A 11 14.872 -22.884 11.360 1.00 53.13 O ATOM 0 H SER A 11 16.383 -20.715 10.322 1.00 71.44 H new ATOM 0 HA SER A 11 15.560 -21.027 13.116 1.00 32.15 H new ATOM 0 HB2 SER A 11 16.936 -22.904 11.151 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.348 -23.341 12.743 1.00 73.42 H new ATOM 0 HG SER A 11 14.785 -23.816 11.070 1.00 53.13 H new ATOM 190 N VAL A 12 17.790 -20.782 14.200 1.00 44.50 N ATOM 191 CA VAL A 12 19.058 -20.458 14.809 1.00 65.33 C ATOM 192 C VAL A 12 19.499 -21.576 15.744 1.00 31.54 C ATOM 193 O VAL A 12 18.745 -21.987 16.637 1.00 45.10 O ATOM 194 CB VAL A 12 18.930 -19.126 15.573 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.165 -18.886 16.450 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.762 -17.960 14.583 1.00 44.14 C ATOM 0 H VAL A 12 17.008 -20.850 14.852 1.00 44.50 H new ATOM 0 HA VAL A 12 19.816 -20.352 14.033 1.00 65.33 H new ATOM 0 HB VAL A 12 18.050 -19.182 16.214 1.00 22.42 H new ATOM 0 HG11 VAL A 12 20.056 -17.941 16.981 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.263 -19.698 17.170 1.00 53.10 H new ATOM 0 HG13 VAL A 12 21.055 -18.849 15.822 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.673 -17.024 15.135 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.631 -17.912 13.926 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.864 -18.116 13.986 1.00 44.14 H new ATOM 206 N GLU A 13 20.726 -22.039 15.542 1.00 65.32 N ATOM 207 CA GLU A 13 21.324 -23.088 16.357 1.00 15.40 C ATOM 208 C GLU A 13 22.452 -22.515 17.198 1.00 23.23 C ATOM 209 O GLU A 13 23.424 -21.968 16.665 1.00 42.34 O ATOM 210 CB GLU A 13 21.876 -24.201 15.457 1.00 20.03 C ATOM 211 CG GLU A 13 20.721 -24.918 14.746 1.00 1.01 C ATOM 212 CD GLU A 13 20.178 -26.042 15.607 1.00 64.42 C ATOM 213 OE1 GLU A 13 19.916 -25.810 16.764 1.00 34.31 O ATOM 214 OE2 GLU A 13 20.041 -27.131 15.094 1.00 14.21 O ATOM 0 H GLU A 13 21.338 -21.694 14.803 1.00 65.32 H new ATOM 0 HA GLU A 13 20.558 -23.500 17.013 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.562 -23.780 14.722 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.446 -24.914 16.053 1.00 20.03 H new ATOM 0 HG2 GLU A 13 19.926 -24.206 14.524 1.00 1.01 H new ATOM 0 HG3 GLU A 13 21.066 -25.318 13.792 1.00 1.01 H new ATOM 221 N ASP A 14 22.324 -22.637 18.503 1.00 22.33 N ATOM 222 CA ASP A 14 23.324 -22.130 19.430 1.00 31.53 C ATOM 223 C ASP A 14 24.332 -23.188 19.760 1.00 2.03 C ATOM 224 O ASP A 14 23.976 -24.287 20.189 1.00 12.43 O ATOM 225 CB ASP A 14 22.679 -21.635 20.709 1.00 1.42 C ATOM 226 CG ASP A 14 23.653 -20.864 21.581 1.00 22.13 C ATOM 227 OD1 ASP A 14 24.845 -20.925 21.342 1.00 24.52 O ATOM 228 OD2 ASP A 14 23.181 -20.217 22.493 1.00 34.20 O ATOM 0 H ASP A 14 21.528 -23.088 18.953 1.00 22.33 H new ATOM 0 HA ASP A 14 23.828 -21.296 18.941 1.00 31.53 H new ATOM 0 HB2 ASP A 14 21.831 -20.996 20.463 1.00 1.42 H new ATOM 0 HB3 ASP A 14 22.287 -22.484 21.268 1.00 1.42 H new ATOM 233 N ALA A 15 25.579 -22.831 19.656 1.00 64.23 N ATOM 234 CA ALA A 15 26.660 -23.722 20.038 1.00 62.10 C ATOM 235 C ALA A 15 26.469 -24.146 21.480 1.00 0.30 C ATOM 236 O ALA A 15 26.845 -25.251 21.875 1.00 4.10 O ATOM 237 CB ALA A 15 27.998 -23.010 19.905 1.00 72.21 C ATOM 0 H ALA A 15 25.884 -21.922 19.308 1.00 64.23 H new ATOM 0 HA ALA A 15 26.650 -24.594 19.384 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.801 -23.688 20.194 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.142 -22.697 18.871 1.00 72.21 H new ATOM 0 HB3 ALA A 15 28.011 -22.135 20.554 1.00 72.21 H new ATOM 243 N GLN A 16 25.800 -23.291 22.238 1.00 3.31 N ATOM 244 CA GLN A 16 25.468 -23.593 23.618 1.00 70.51 C ATOM 245 C GLN A 16 24.390 -24.676 23.668 1.00 44.44 C ATOM 246 O GLN A 16 23.968 -25.095 24.746 1.00 43.52 O ATOM 247 CB GLN A 16 25.005 -22.332 24.352 1.00 25.04 C ATOM 248 CG GLN A 16 26.107 -21.261 24.291 1.00 60.51 C ATOM 249 CD GLN A 16 27.357 -21.744 25.010 1.00 52.33 C ATOM 250 OE1 GLN A 16 28.441 -21.947 24.341 1.00 42.31 O flip ATOM 251 NE2 GLN A 16 27.334 -21.960 26.222 1.00 32.13 N flip ATOM 0 H GLN A 16 25.476 -22.379 21.917 1.00 3.31 H new ATOM 0 HA GLN A 16 26.361 -23.964 24.121 1.00 70.51 H new ATOM 0 HB2 GLN A 16 24.090 -21.952 23.899 1.00 25.04 H new ATOM 0 HB3 GLN A 16 24.772 -22.569 25.390 1.00 25.04 H new ATOM 0 HG2 GLN A 16 26.343 -21.032 23.252 1.00 60.51 H new ATOM 0 HG3 GLN A 16 25.751 -20.338 24.748 1.00 60.51 H new ATOM 0 HE21 GLN A 16 26.478 -21.800 26.752 1.00 32.13 H new ATOM 0 HE22 GLN A 16 28.171 -22.299 26.696 1.00 32.13 H new ATOM 260 N MET A 17 23.946 -25.096 22.482 1.00 5.31 N ATOM 261 CA MET A 17 22.928 -26.129 22.299 1.00 12.12 C ATOM 262 C MET A 17 21.526 -25.577 22.454 1.00 54.32 C ATOM 263 O MET A 17 20.685 -26.162 23.140 1.00 30.13 O ATOM 264 CB MET A 17 23.161 -27.337 23.219 1.00 21.12 C ATOM 265 CG MET A 17 24.488 -28.014 22.842 1.00 2.23 C ATOM 266 SD MET A 17 24.438 -28.544 21.109 1.00 25.23 S ATOM 267 CE MET A 17 23.262 -29.905 21.316 1.00 74.04 C ATOM 0 H MET A 17 24.294 -24.717 21.601 1.00 5.31 H new ATOM 0 HA MET A 17 23.024 -26.483 21.272 1.00 12.12 H new ATOM 0 HB2 MET A 17 23.186 -27.016 24.260 1.00 21.12 H new ATOM 0 HB3 MET A 17 22.338 -28.045 23.124 1.00 21.12 H new ATOM 0 HG2 MET A 17 25.316 -27.322 22.996 1.00 2.23 H new ATOM 0 HG3 MET A 17 24.665 -28.873 23.489 1.00 2.23 H new ATOM 0 HE1 MET A 17 23.371 -30.609 20.491 1.00 74.04 H new ATOM 0 HE2 MET A 17 23.460 -30.417 22.258 1.00 74.04 H new ATOM 0 HE3 MET A 17 22.246 -29.510 21.324 1.00 74.04 H new ATOM 277 N HIS A 18 21.249 -24.507 21.730 1.00 43.51 N ATOM 278 CA HIS A 18 19.910 -23.930 21.686 1.00 22.43 C ATOM 279 C HIS A 18 19.447 -23.865 20.246 1.00 34.12 C ATOM 280 O HIS A 18 20.215 -23.476 19.367 1.00 31.44 O ATOM 281 CB HIS A 18 19.892 -22.504 22.262 1.00 70.50 C ATOM 282 CG HIS A 18 20.504 -22.473 23.633 1.00 40.41 C ATOM 283 ND1 HIS A 18 21.649 -21.734 23.917 1.00 0.13 N ATOM 284 CD2 HIS A 18 20.143 -23.077 24.814 1.00 21.11 C ATOM 285 CE1 HIS A 18 21.926 -21.910 25.226 1.00 21.41 C ATOM 286 NE2 HIS A 18 21.039 -22.722 25.817 1.00 74.45 N ATOM 0 H HIS A 18 21.936 -24.015 21.160 1.00 43.51 H new ATOM 0 HA HIS A 18 19.252 -24.560 22.285 1.00 22.43 H new ATOM 0 HB2 HIS A 18 20.439 -21.833 21.600 1.00 70.50 H new ATOM 0 HB3 HIS A 18 18.866 -22.139 22.309 1.00 70.50 H new ATOM 0 HD1 HIS A 18 22.180 -21.165 23.258 1.00 0.13 H new ATOM 0 HD2 HIS A 18 19.292 -23.729 24.944 1.00 21.11 H new ATOM 0 HE1 HIS A 18 22.761 -21.452 25.735 1.00 21.41 H new ATOM 295 N THR A 19 18.176 -24.110 20.031 1.00 71.41 N ATOM 296 CA THR A 19 17.584 -23.943 18.721 1.00 41.11 C ATOM 297 C THR A 19 16.453 -22.929 18.825 1.00 2.13 C ATOM 298 O THR A 19 15.551 -23.084 19.656 1.00 64.45 O ATOM 299 CB THR A 19 17.047 -25.286 18.208 1.00 2.14 C ATOM 300 OG1 THR A 19 18.081 -26.267 18.272 1.00 11.24 O ATOM 301 CG2 THR A 19 16.589 -25.138 16.753 1.00 20.53 C ATOM 0 H THR A 19 17.527 -24.428 20.751 1.00 71.41 H new ATOM 0 HA THR A 19 18.336 -23.586 18.018 1.00 41.11 H new ATOM 0 HB THR A 19 16.205 -25.594 18.827 1.00 2.14 H new ATOM 0 HG1 THR A 19 18.678 -26.164 17.502 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.208 -26.094 16.392 1.00 20.53 H new ATOM 0 HG22 THR A 19 15.800 -24.388 16.694 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.432 -24.827 16.136 1.00 20.53 H new ATOM 309 N VAL A 20 16.517 -21.884 18.026 1.00 62.44 N ATOM 310 CA VAL A 20 15.484 -20.860 18.051 1.00 2.05 C ATOM 311 C VAL A 20 15.091 -20.440 16.643 1.00 1.51 C ATOM 312 O VAL A 20 15.827 -20.679 15.681 1.00 15.42 O ATOM 313 CB VAL A 20 15.907 -19.651 18.914 1.00 22.23 C ATOM 314 CG1 VAL A 20 16.027 -20.088 20.377 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.261 -19.109 18.452 1.00 52.53 C ATOM 0 H VAL A 20 17.267 -21.718 17.354 1.00 62.44 H new ATOM 0 HA VAL A 20 14.600 -21.293 18.519 1.00 2.05 H new ATOM 0 HB VAL A 20 15.153 -18.871 18.811 1.00 22.23 H new ATOM 0 HG11 VAL A 20 16.326 -19.236 20.988 1.00 41.33 H new ATOM 0 HG12 VAL A 20 15.065 -20.464 20.724 1.00 41.33 H new ATOM 0 HG13 VAL A 20 16.776 -20.875 20.461 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.543 -18.258 19.072 1.00 52.53 H new ATOM 0 HG22 VAL A 20 18.016 -19.890 18.544 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.190 -18.793 17.411 1.00 52.53 H new ATOM 325 N THR A 21 13.925 -19.844 16.528 1.00 63.53 N ATOM 326 CA THR A 21 13.398 -19.430 15.242 1.00 44.25 C ATOM 327 C THR A 21 13.202 -17.931 15.236 1.00 12.41 C ATOM 328 O THR A 21 12.518 -17.390 16.113 1.00 11.33 O ATOM 329 CB THR A 21 12.044 -20.115 15.013 1.00 65.22 C ATOM 330 OG1 THR A 21 12.174 -21.506 15.279 1.00 25.54 O ATOM 331 CG2 THR A 21 11.587 -19.916 13.558 1.00 10.42 C ATOM 0 H THR A 21 13.316 -19.632 17.318 1.00 63.53 H new ATOM 0 HA THR A 21 14.096 -19.709 14.453 1.00 44.25 H new ATOM 0 HB THR A 21 11.303 -19.675 15.680 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.311 -21.948 15.136 1.00 25.54 H new ATOM 0 HG21 THR A 21 10.625 -20.407 13.408 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.487 -18.851 13.351 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.324 -20.350 12.882 1.00 10.42 H new ATOM 339 N ILE A 22 13.714 -17.271 14.219 1.00 41.12 N ATOM 340 CA ILE A 22 13.474 -15.855 14.080 1.00 63.41 C ATOM 341 C ILE A 22 12.875 -15.579 12.715 1.00 15.43 C ATOM 342 O ILE A 22 13.100 -16.335 11.756 1.00 50.41 O ATOM 343 CB ILE A 22 14.764 -15.045 14.299 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.791 -15.375 13.218 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.360 -15.384 15.670 1.00 31.40 C ATOM 346 CD1 ILE A 22 17.001 -14.442 13.360 1.00 75.44 C ATOM 0 H ILE A 22 14.291 -17.687 13.487 1.00 41.12 H new ATOM 0 HA ILE A 22 12.767 -15.539 14.847 1.00 63.41 H new ATOM 0 HB ILE A 22 14.518 -13.984 14.250 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.107 -16.414 13.307 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.344 -15.261 12.230 1.00 65.05 H new ATOM 0 HG21 ILE A 22 16.273 -14.809 15.822 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.641 -15.136 16.451 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.590 -16.449 15.714 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.734 -14.677 12.589 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.677 -13.407 13.250 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.452 -14.578 14.343 1.00 75.44 H new ATOM 358 N TRP A 23 12.053 -14.562 12.654 1.00 51.20 N ATOM 359 CA TRP A 23 11.326 -14.221 11.447 1.00 45.54 C ATOM 360 C TRP A 23 11.845 -12.899 10.926 1.00 3.15 C ATOM 361 O TRP A 23 11.839 -11.902 11.655 1.00 71.12 O ATOM 362 CB TRP A 23 9.833 -14.075 11.788 1.00 14.21 C ATOM 363 CG TRP A 23 9.424 -15.174 12.724 1.00 32.22 C ATOM 364 CD1 TRP A 23 9.692 -15.193 14.050 1.00 44.21 C ATOM 365 CD2 TRP A 23 8.677 -16.392 12.447 1.00 53.12 C ATOM 366 NE1 TRP A 23 9.179 -16.349 14.594 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.539 -17.120 13.652 1.00 64.15 C ATOM 368 CE3 TRP A 23 8.117 -16.933 11.284 1.00 72.44 C ATOM 369 CZ2 TRP A 23 7.872 -18.340 13.698 1.00 24.32 C ATOM 370 CZ3 TRP A 23 7.438 -18.163 11.322 1.00 74.51 C ATOM 371 CH2 TRP A 23 7.317 -18.866 12.531 1.00 12.23 C ATOM 0 H TRP A 23 11.865 -13.941 13.441 1.00 51.20 H new ATOM 0 HA TRP A 23 11.459 -14.998 10.695 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.647 -13.104 12.247 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.235 -14.117 10.877 1.00 14.21 H new ATOM 0 HD1 TRP A 23 10.223 -14.425 14.594 1.00 44.21 H new ATOM 0 HE1 TRP A 23 9.264 -16.603 15.578 1.00 24.00 H new ATOM 0 HE3 TRP A 23 8.207 -16.400 10.349 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 7.784 -18.877 14.631 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 7.008 -18.569 10.418 1.00 74.51 H new ATOM 0 HH2 TRP A 23 6.796 -19.811 12.558 1.00 12.23 H new ATOM 382 N LEU A 24 12.279 -12.873 9.683 1.00 44.10 N ATOM 383 CA LEU A 24 12.785 -11.642 9.093 1.00 40.20 C ATOM 384 C LEU A 24 11.948 -11.244 7.899 1.00 52.40 C ATOM 385 O LEU A 24 11.713 -12.054 7.003 1.00 21.24 O ATOM 386 CB LEU A 24 14.256 -11.793 8.675 1.00 70.54 C ATOM 387 CG LEU A 24 15.108 -12.183 9.895 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.568 -12.370 9.478 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.025 -11.086 10.957 1.00 21.54 C ATOM 0 H LEU A 24 12.294 -13.682 9.062 1.00 44.10 H new ATOM 0 HA LEU A 24 12.721 -10.859 9.849 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.347 -12.553 7.899 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.620 -10.858 8.250 1.00 70.54 H new ATOM 0 HG LEU A 24 14.726 -13.118 10.304 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.163 -12.646 10.349 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.634 -13.159 8.729 1.00 42.21 H new ATOM 0 HD13 LEU A 24 16.949 -11.439 9.059 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.630 -11.367 11.819 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.397 -10.149 10.542 1.00 21.54 H new ATOM 0 HD23 LEU A 24 13.988 -10.958 11.268 1.00 21.54 H new ATOM 401 N THR A 25 11.580 -9.981 7.838 1.00 32.11 N ATOM 402 CA THR A 25 10.866 -9.465 6.693 1.00 20.03 C ATOM 403 C THR A 25 11.832 -8.635 5.861 1.00 15.11 C ATOM 404 O THR A 25 12.442 -7.697 6.373 1.00 30.42 O ATOM 405 CB THR A 25 9.688 -8.603 7.157 1.00 11.33 C ATOM 406 OG1 THR A 25 8.992 -9.280 8.203 1.00 74.12 O ATOM 407 CG2 THR A 25 8.733 -8.377 5.986 1.00 51.01 C ATOM 0 H THR A 25 11.764 -9.294 8.569 1.00 32.11 H new ATOM 0 HA THR A 25 10.472 -10.286 6.094 1.00 20.03 H new ATOM 0 HB THR A 25 10.059 -7.644 7.520 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.238 -8.730 8.504 1.00 74.12 H new ATOM 0 HG21 THR A 25 7.894 -7.764 6.314 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.261 -7.868 5.179 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.362 -9.338 5.628 1.00 51.01 H new ATOM 415 N VAL A 26 12.047 -9.048 4.631 1.00 24.42 N ATOM 416 CA VAL A 26 13.023 -8.414 3.753 1.00 0.53 C ATOM 417 C VAL A 26 12.605 -8.602 2.317 1.00 14.44 C ATOM 418 O VAL A 26 11.547 -9.134 2.057 1.00 61.52 O ATOM 419 CB VAL A 26 14.408 -9.034 3.972 1.00 60.45 C ATOM 420 CG1 VAL A 26 14.955 -8.599 5.326 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.306 -10.568 3.925 1.00 64.00 C ATOM 0 H VAL A 26 11.553 -9.833 4.205 1.00 24.42 H new ATOM 0 HA VAL A 26 13.071 -7.349 3.982 1.00 0.53 H new ATOM 0 HB VAL A 26 15.081 -8.695 3.184 1.00 60.45 H new ATOM 0 HG11 VAL A 26 15.940 -9.041 5.480 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.037 -7.512 5.353 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.281 -8.932 6.115 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.293 -11.003 4.081 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.630 -10.912 4.708 1.00 64.00 H new ATOM 0 HG23 VAL A 26 13.923 -10.878 2.953 1.00 64.00 H new ATOM 431 N ARG A 27 13.479 -8.275 1.396 1.00 33.21 N ATOM 432 CA ARG A 27 13.228 -8.553 -0.004 1.00 4.21 C ATOM 433 C ARG A 27 14.295 -9.484 -0.548 1.00 3.32 C ATOM 434 O ARG A 27 15.430 -9.461 -0.083 1.00 72.11 O ATOM 435 CB ARG A 27 13.169 -7.268 -0.835 1.00 30.33 C ATOM 436 CG ARG A 27 14.176 -6.236 -0.313 1.00 13.41 C ATOM 437 CD ARG A 27 13.603 -4.836 -0.493 1.00 0.42 C ATOM 438 NE ARG A 27 12.896 -4.724 -1.777 1.00 5.44 N ATOM 439 CZ ARG A 27 11.558 -4.743 -1.874 1.00 52.45 C ATOM 440 NH1 ARG A 27 10.809 -4.927 -0.805 1.00 55.30 N ATOM 441 NH2 ARG A 27 10.998 -4.584 -3.039 1.00 23.52 N ATOM 0 H ARG A 27 14.370 -7.817 1.587 1.00 33.21 H new ATOM 0 HA ARG A 27 12.255 -9.038 -0.079 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.382 -7.495 -1.880 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.162 -6.852 -0.798 1.00 30.33 H new ATOM 0 HG2 ARG A 27 14.391 -6.421 0.740 1.00 13.41 H new ATOM 0 HG3 ARG A 27 15.119 -6.327 -0.851 1.00 13.41 H new ATOM 0 HD2 ARG A 27 12.919 -4.610 0.325 1.00 0.42 H new ATOM 0 HD3 ARG A 27 14.406 -4.101 -0.449 1.00 0.42 H new ATOM 0 HE ARG A 27 13.446 -4.628 -2.631 1.00 5.44 H new ATOM 0 HH11 ARG A 27 11.246 -5.057 0.108 1.00 55.30 H new ATOM 0 HH12 ARG A 27 9.793 -4.940 -0.890 1.00 55.30 H new ATOM 0 HH21 ARG A 27 11.576 -4.446 -3.868 1.00 23.52 H new ATOM 0 HH22 ARG A 27 9.981 -4.597 -3.122 1.00 23.52 H new ATOM 455 N PRO A 28 13.982 -10.228 -1.572 1.00 70.42 N ATOM 456 CA PRO A 28 14.962 -11.160 -2.222 1.00 2.44 C ATOM 457 C PRO A 28 16.203 -10.404 -2.666 1.00 10.52 C ATOM 458 O PRO A 28 17.298 -10.972 -2.782 1.00 73.22 O ATOM 459 CB PRO A 28 14.195 -11.664 -3.450 1.00 63.31 C ATOM 460 CG PRO A 28 12.758 -11.530 -3.083 1.00 53.01 C ATOM 461 CD PRO A 28 12.662 -10.270 -2.238 1.00 50.41 C ATOM 0 HA PRO A 28 15.301 -11.955 -1.558 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.434 -11.074 -4.335 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.450 -12.699 -3.678 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.133 -11.453 -3.973 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.414 -12.401 -2.526 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.488 -9.384 -2.849 1.00 50.41 H new ATOM 0 HD3 PRO A 28 11.846 -10.326 -1.518 1.00 50.41 H new ATOM 469 N ASP A 29 16.002 -9.125 -2.928 1.00 21.24 N ATOM 470 CA ASP A 29 17.049 -8.233 -3.392 1.00 42.34 C ATOM 471 C ASP A 29 18.050 -7.957 -2.292 1.00 22.22 C ATOM 472 O ASP A 29 19.147 -7.462 -2.554 1.00 73.13 O ATOM 473 CB ASP A 29 16.431 -6.913 -3.836 1.00 0.01 C ATOM 474 CG ASP A 29 15.578 -7.125 -5.059 1.00 62.22 C ATOM 475 OD1 ASP A 29 16.095 -7.587 -6.047 1.00 21.43 O ATOM 476 OD2 ASP A 29 14.416 -6.811 -5.000 1.00 43.24 O ATOM 0 H ASP A 29 15.095 -8.671 -2.823 1.00 21.24 H new ATOM 0 HA ASP A 29 17.562 -8.712 -4.226 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.827 -6.496 -3.030 1.00 0.01 H new ATOM 0 HB3 ASP A 29 17.217 -6.189 -4.052 1.00 0.01 H new ATOM 481 N MET A 30 17.659 -8.222 -1.059 1.00 31.25 N ATOM 482 CA MET A 30 18.528 -7.945 0.068 1.00 25.12 C ATOM 483 C MET A 30 19.709 -8.872 0.117 1.00 64.13 C ATOM 484 O MET A 30 19.721 -9.934 -0.506 1.00 62.13 O ATOM 485 CB MET A 30 17.793 -7.958 1.408 1.00 2.42 C ATOM 486 CG MET A 30 17.144 -6.600 1.662 1.00 11.34 C ATOM 487 SD MET A 30 16.254 -6.659 3.233 1.00 52.43 S ATOM 488 CE MET A 30 17.699 -6.935 4.302 1.00 61.23 C ATOM 0 H MET A 30 16.754 -8.625 -0.814 1.00 31.25 H new ATOM 0 HA MET A 30 18.893 -6.931 -0.096 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.033 -8.739 1.407 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.490 -8.193 2.212 1.00 2.42 H new ATOM 0 HG2 MET A 30 17.904 -5.819 1.689 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.460 -6.352 0.851 1.00 11.34 H new ATOM 0 HE1 MET A 30 17.553 -6.419 5.251 1.00 61.23 H new ATOM 0 HE2 MET A 30 17.818 -8.003 4.484 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.593 -6.548 3.813 1.00 61.23 H new ATOM 498 N THR A 31 20.702 -8.428 0.840 1.00 12.23 N ATOM 499 CA THR A 31 21.947 -9.122 1.018 1.00 31.41 C ATOM 500 C THR A 31 22.019 -9.729 2.429 1.00 44.04 C ATOM 501 O THR A 31 21.440 -9.189 3.382 1.00 12.01 O ATOM 502 CB THR A 31 23.094 -8.125 0.753 1.00 25.42 C ATOM 503 OG1 THR A 31 23.471 -8.171 -0.621 1.00 20.13 O ATOM 504 CG2 THR A 31 24.294 -8.404 1.639 1.00 40.23 C ATOM 0 H THR A 31 20.663 -7.539 1.339 1.00 12.23 H new ATOM 0 HA THR A 31 22.033 -9.951 0.316 1.00 31.41 H new ATOM 0 HB THR A 31 22.733 -7.125 0.994 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.348 -8.601 -0.705 1.00 20.13 H new ATOM 0 HG21 THR A 31 25.081 -7.682 1.423 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.001 -8.320 2.686 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.663 -9.411 1.445 1.00 40.23 H new ATOM 512 N VAL A 32 22.701 -10.864 2.552 1.00 60.15 N ATOM 513 CA VAL A 32 22.808 -11.555 3.833 1.00 10.31 C ATOM 514 C VAL A 32 23.449 -10.636 4.859 1.00 54.12 C ATOM 515 O VAL A 32 22.965 -10.514 5.993 1.00 54.33 O ATOM 516 CB VAL A 32 23.638 -12.841 3.678 1.00 44.23 C ATOM 517 CG1 VAL A 32 23.945 -13.439 5.057 1.00 71.12 C ATOM 518 CG2 VAL A 32 22.850 -13.860 2.847 1.00 24.05 C ATOM 0 H VAL A 32 23.187 -11.324 1.782 1.00 60.15 H new ATOM 0 HA VAL A 32 21.809 -11.828 4.174 1.00 10.31 H new ATOM 0 HB VAL A 32 24.575 -12.601 3.176 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.533 -14.349 4.936 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.509 -12.718 5.649 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.011 -13.675 5.567 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.437 -14.772 2.737 1.00 24.05 H new ATOM 0 HG22 VAL A 32 21.911 -14.092 3.350 1.00 24.05 H new ATOM 0 HG23 VAL A 32 22.640 -13.442 1.862 1.00 24.05 H new ATOM 528 N ALA A 33 24.509 -9.964 4.457 1.00 53.45 N ATOM 529 CA ALA A 33 25.178 -9.038 5.345 1.00 55.04 C ATOM 530 C ALA A 33 24.156 -8.093 5.955 1.00 52.23 C ATOM 531 O ALA A 33 24.207 -7.808 7.153 1.00 54.14 O ATOM 532 CB ALA A 33 26.240 -8.230 4.590 1.00 50.32 C ATOM 0 H ALA A 33 24.923 -10.041 3.528 1.00 53.45 H new ATOM 0 HA ALA A 33 25.672 -9.607 6.133 1.00 55.04 H new ATOM 0 HB1 ALA A 33 26.730 -7.541 5.278 1.00 50.32 H new ATOM 0 HB2 ALA A 33 26.981 -8.908 4.167 1.00 50.32 H new ATOM 0 HB3 ALA A 33 25.765 -7.666 3.787 1.00 50.32 H new ATOM 538 N SER A 34 23.220 -7.638 5.134 1.00 20.42 N ATOM 539 CA SER A 34 22.159 -6.767 5.599 1.00 42.23 C ATOM 540 C SER A 34 21.265 -7.470 6.626 1.00 51.41 C ATOM 541 O SER A 34 20.996 -6.926 7.694 1.00 74.05 O ATOM 542 CB SER A 34 21.333 -6.285 4.416 1.00 22.13 C ATOM 543 OG SER A 34 22.201 -6.045 3.303 1.00 22.31 O ATOM 0 H SER A 34 23.177 -7.861 4.140 1.00 20.42 H new ATOM 0 HA SER A 34 22.614 -5.909 6.094 1.00 42.23 H new ATOM 0 HB2 SER A 34 20.583 -7.031 4.153 1.00 22.13 H new ATOM 0 HB3 SER A 34 20.798 -5.373 4.678 1.00 22.13 H new ATOM 0 HG SER A 34 21.673 -5.736 2.537 1.00 22.31 H new ATOM 549 N LEU A 35 20.895 -8.720 6.347 1.00 42.51 N ATOM 550 CA LEU A 35 20.099 -9.493 7.309 1.00 60.21 C ATOM 551 C LEU A 35 20.862 -9.681 8.580 1.00 12.50 C ATOM 552 O LEU A 35 20.330 -9.501 9.680 1.00 51.11 O ATOM 553 CB LEU A 35 19.702 -10.868 6.761 1.00 20.44 C ATOM 554 CG LEU A 35 18.477 -10.764 5.867 1.00 63.51 C ATOM 555 CD1 LEU A 35 18.147 -12.149 5.320 1.00 4.13 C ATOM 556 CD2 LEU A 35 17.298 -10.272 6.697 1.00 72.44 C ATOM 0 H LEU A 35 21.125 -9.213 5.484 1.00 42.51 H new ATOM 0 HA LEU A 35 19.189 -8.923 7.495 1.00 60.21 H new ATOM 0 HB2 LEU A 35 20.533 -11.293 6.198 1.00 20.44 H new ATOM 0 HB3 LEU A 35 19.497 -11.548 7.588 1.00 20.44 H new ATOM 0 HG LEU A 35 18.672 -10.072 5.047 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.269 -12.087 4.677 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.993 -12.524 4.744 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.943 -12.828 6.148 1.00 4.13 H new ATOM 0 HD21 LEU A 35 16.414 -10.194 6.064 1.00 72.44 H new ATOM 0 HD22 LEU A 35 17.104 -10.976 7.506 1.00 72.44 H new ATOM 0 HD23 LEU A 35 17.531 -9.293 7.116 1.00 72.44 H new ATOM 568 N LYS A 36 22.125 -9.975 8.428 1.00 34.21 N ATOM 569 CA LYS A 36 22.993 -10.156 9.548 1.00 44.21 C ATOM 570 C LYS A 36 22.967 -8.906 10.407 1.00 31.00 C ATOM 571 O LYS A 36 22.872 -8.983 11.639 1.00 33.33 O ATOM 572 CB LYS A 36 24.403 -10.418 9.030 1.00 43.15 C ATOM 573 CG LYS A 36 25.410 -10.431 10.184 1.00 4.03 C ATOM 574 CD LYS A 36 26.191 -9.117 10.179 1.00 65.42 C ATOM 575 CE LYS A 36 26.918 -8.931 8.837 1.00 65.21 C ATOM 576 NZ LYS A 36 26.427 -7.688 8.169 1.00 35.45 N ATOM 0 H LYS A 36 22.577 -10.095 7.521 1.00 34.21 H new ATOM 0 HA LYS A 36 22.667 -11.002 10.153 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.431 -11.373 8.505 1.00 43.15 H new ATOM 0 HB3 LYS A 36 24.679 -9.649 8.308 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.892 -10.557 11.134 1.00 4.03 H new ATOM 0 HG3 LYS A 36 26.092 -11.275 10.079 1.00 4.03 H new ATOM 0 HD2 LYS A 36 25.512 -8.282 10.351 1.00 65.42 H new ATOM 0 HD3 LYS A 36 26.914 -9.113 10.995 1.00 65.42 H new ATOM 0 HE2 LYS A 36 27.994 -8.867 9.000 1.00 65.21 H new ATOM 0 HE3 LYS A 36 26.744 -9.794 8.195 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 27.022 -7.481 7.341 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 25.443 -7.824 7.863 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 26.475 -6.893 8.837 1.00 35.45 H new ATOM 590 N ASP A 37 23.026 -7.754 9.761 1.00 21.40 N ATOM 591 CA ASP A 37 22.999 -6.509 10.494 1.00 31.33 C ATOM 592 C ASP A 37 21.694 -6.351 11.255 1.00 3.04 C ATOM 593 O ASP A 37 21.709 -6.057 12.445 1.00 73.14 O ATOM 594 CB ASP A 37 23.213 -5.304 9.565 1.00 1.34 C ATOM 595 CG ASP A 37 24.662 -5.208 9.094 1.00 74.31 C ATOM 596 OD1 ASP A 37 25.493 -5.958 9.578 1.00 52.50 O ATOM 597 OD2 ASP A 37 24.926 -4.380 8.252 1.00 11.04 O ATOM 0 H ASP A 37 23.092 -7.659 8.748 1.00 21.40 H new ATOM 0 HA ASP A 37 23.821 -6.540 11.210 1.00 31.33 H new ATOM 0 HB2 ASP A 37 22.554 -5.388 8.701 1.00 1.34 H new ATOM 0 HB3 ASP A 37 22.938 -4.388 10.087 1.00 1.34 H new ATOM 602 N MET A 38 20.559 -6.631 10.605 1.00 34.44 N ATOM 603 CA MET A 38 19.279 -6.514 11.307 1.00 41.13 C ATOM 604 C MET A 38 19.252 -7.505 12.435 1.00 34.34 C ATOM 605 O MET A 38 18.785 -7.206 13.535 1.00 71.22 O ATOM 606 CB MET A 38 18.076 -6.794 10.415 1.00 41.21 C ATOM 607 CG MET A 38 18.383 -6.541 8.950 1.00 23.15 C ATOM 608 SD MET A 38 16.834 -6.644 8.007 1.00 32.15 S ATOM 609 CE MET A 38 16.225 -8.209 8.708 1.00 74.35 C ATOM 0 H MET A 38 20.499 -6.929 9.631 1.00 34.44 H new ATOM 0 HA MET A 38 19.205 -5.484 11.657 1.00 41.13 H new ATOM 0 HB2 MET A 38 17.761 -7.829 10.546 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.241 -6.165 10.724 1.00 41.21 H new ATOM 0 HG2 MET A 38 18.839 -5.559 8.823 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.100 -7.275 8.581 1.00 23.15 H new ATOM 0 HE1 MET A 38 15.536 -8.678 8.006 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.066 -8.877 8.892 1.00 74.35 H new ATOM 0 HE3 MET A 38 15.708 -8.010 9.647 1.00 74.35 H new ATOM 619 N VAL A 39 19.769 -8.683 12.160 1.00 14.41 N ATOM 620 CA VAL A 39 19.827 -9.722 13.156 1.00 25.32 C ATOM 621 C VAL A 39 20.632 -9.194 14.333 1.00 51.44 C ATOM 622 O VAL A 39 20.227 -9.317 15.492 1.00 21.33 O ATOM 623 CB VAL A 39 20.464 -11.007 12.574 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.638 -12.072 13.668 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.559 -11.573 11.471 1.00 65.31 C ATOM 0 H VAL A 39 20.155 -8.942 11.252 1.00 14.41 H new ATOM 0 HA VAL A 39 18.822 -9.988 13.483 1.00 25.32 H new ATOM 0 HB VAL A 39 21.442 -10.752 12.167 1.00 31.13 H new ATOM 0 HG11 VAL A 39 21.087 -12.967 13.237 1.00 41.14 H new ATOM 0 HG12 VAL A 39 21.285 -11.684 14.454 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.665 -12.322 14.090 1.00 41.14 H new ATOM 0 HG21 VAL A 39 20.008 -12.478 11.061 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.581 -11.810 11.889 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.445 -10.833 10.678 1.00 65.31 H new ATOM 635 N PHE A 40 21.714 -8.511 14.024 1.00 3.12 N ATOM 636 CA PHE A 40 22.502 -7.865 15.041 1.00 33.42 C ATOM 637 C PHE A 40 21.655 -6.839 15.776 1.00 2.10 C ATOM 638 O PHE A 40 21.703 -6.748 17.002 1.00 42.22 O ATOM 639 CB PHE A 40 23.732 -7.197 14.431 1.00 31.43 C ATOM 640 CG PHE A 40 24.536 -6.526 15.519 1.00 13.33 C ATOM 641 CD1 PHE A 40 25.232 -7.295 16.452 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.577 -5.130 15.594 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.974 -6.674 17.458 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.319 -4.507 16.601 1.00 33.14 C ATOM 645 CZ PHE A 40 26.019 -5.278 17.532 1.00 34.32 C ATOM 0 H PHE A 40 22.065 -8.391 13.074 1.00 3.12 H new ATOM 0 HA PHE A 40 22.842 -8.620 15.749 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.344 -7.939 13.917 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.427 -6.463 13.685 1.00 31.43 H new ATOM 0 HD1 PHE A 40 25.197 -8.373 16.396 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.036 -4.534 14.874 1.00 43.21 H new ATOM 0 HE1 PHE A 40 26.513 -7.271 18.179 1.00 61.34 H new ATOM 0 HE2 PHE A 40 25.351 -3.429 16.659 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.595 -4.796 18.309 1.00 34.32 H new ATOM 655 N LEU A 41 20.893 -6.048 15.033 1.00 22.50 N ATOM 656 CA LEU A 41 20.092 -5.004 15.666 1.00 60.20 C ATOM 657 C LEU A 41 19.112 -5.649 16.608 1.00 62.30 C ATOM 658 O LEU A 41 18.943 -5.218 17.748 1.00 2.04 O ATOM 659 CB LEU A 41 19.260 -4.264 14.611 1.00 64.43 C ATOM 660 CG LEU A 41 20.165 -3.582 13.605 1.00 14.35 C ATOM 661 CD1 LEU A 41 19.321 -2.887 12.531 1.00 15.13 C ATOM 662 CD2 LEU A 41 21.078 -2.584 14.302 1.00 2.24 C ATOM 0 H LEU A 41 20.811 -6.104 14.018 1.00 22.50 H new ATOM 0 HA LEU A 41 20.763 -4.316 16.181 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.602 -4.967 14.100 1.00 64.43 H new ATOM 0 HB3 LEU A 41 18.622 -3.525 15.095 1.00 64.43 H new ATOM 0 HG LEU A 41 20.790 -4.334 13.124 1.00 14.35 H new ATOM 0 HD11 LEU A 41 19.978 -2.399 11.811 1.00 15.13 H new ATOM 0 HD12 LEU A 41 18.705 -3.626 12.018 1.00 15.13 H new ATOM 0 HD13 LEU A 41 18.678 -2.141 12.999 1.00 15.13 H new ATOM 0 HD21 LEU A 41 21.721 -2.103 13.565 1.00 2.24 H new ATOM 0 HD22 LEU A 41 20.474 -1.828 14.805 1.00 2.24 H new ATOM 0 HD23 LEU A 41 21.693 -3.105 15.036 1.00 2.24 H new ATOM 674 N ASP A 42 18.478 -6.697 16.127 1.00 3.40 N ATOM 675 CA ASP A 42 17.481 -7.403 16.929 1.00 20.53 C ATOM 676 C ASP A 42 18.085 -8.249 18.026 1.00 55.41 C ATOM 677 O ASP A 42 17.529 -8.321 19.129 1.00 3.34 O ATOM 678 CB ASP A 42 16.561 -8.274 16.066 1.00 22.22 C ATOM 679 CG ASP A 42 15.356 -7.485 15.601 1.00 70.13 C ATOM 680 OD1 ASP A 42 15.502 -6.327 15.296 1.00 75.41 O ATOM 681 OD2 ASP A 42 14.293 -8.061 15.540 1.00 72.43 O ATOM 0 H ASP A 42 18.627 -7.082 15.194 1.00 3.40 H new ATOM 0 HA ASP A 42 16.893 -6.616 17.400 1.00 20.53 H new ATOM 0 HB2 ASP A 42 17.111 -8.648 15.203 1.00 22.22 H new ATOM 0 HB3 ASP A 42 16.234 -9.143 16.637 1.00 22.22 H new ATOM 686 N TYR A 43 19.077 -9.053 17.671 1.00 32.23 N ATOM 687 CA TYR A 43 19.582 -10.066 18.594 1.00 3.43 C ATOM 688 C TYR A 43 21.005 -9.781 19.068 1.00 54.44 C ATOM 689 O TYR A 43 21.522 -10.473 19.948 1.00 52.22 O ATOM 690 CB TYR A 43 19.496 -11.456 17.942 1.00 12.45 C ATOM 691 CG TYR A 43 18.178 -11.579 17.200 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.989 -11.833 17.896 1.00 32.13 C ATOM 693 CD2 TYR A 43 18.149 -11.421 15.816 1.00 13.44 C ATOM 694 CE1 TYR A 43 15.777 -11.932 17.197 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.946 -11.516 15.121 1.00 50.22 C ATOM 696 CZ TYR A 43 15.759 -11.769 15.807 1.00 33.42 C ATOM 697 OH TYR A 43 14.572 -11.855 15.110 1.00 11.32 O ATOM 0 H TYR A 43 19.544 -9.027 16.765 1.00 32.23 H new ATOM 0 HA TYR A 43 18.950 -10.038 19.482 1.00 3.43 H new ATOM 0 HB2 TYR A 43 20.329 -11.600 17.254 1.00 12.45 H new ATOM 0 HB3 TYR A 43 19.573 -12.233 18.703 1.00 12.45 H new ATOM 0 HD1 TYR A 43 17.006 -11.952 18.969 1.00 32.13 H new ATOM 0 HD2 TYR A 43 19.065 -11.224 15.279 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.860 -12.134 17.730 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.933 -11.393 14.048 1.00 50.22 H new ATOM 0 HH TYR A 43 14.743 -11.716 14.155 1.00 11.32 H new ATOM 707 N GLY A 44 21.633 -8.764 18.517 1.00 13.32 N ATOM 708 CA GLY A 44 22.985 -8.401 18.936 1.00 51.52 C ATOM 709 C GLY A 44 23.986 -9.474 18.549 1.00 41.34 C ATOM 710 O GLY A 44 25.018 -9.631 19.201 1.00 41.15 O ATOM 0 H GLY A 44 21.240 -8.174 17.784 1.00 13.32 H new ATOM 0 HA2 GLY A 44 23.268 -7.453 18.478 1.00 51.52 H new ATOM 0 HA3 GLY A 44 23.006 -8.252 20.016 1.00 51.52 H new ATOM 714 N PHE A 45 23.657 -10.242 17.522 1.00 73.22 N ATOM 715 CA PHE A 45 24.526 -11.318 17.052 1.00 0.40 C ATOM 716 C PHE A 45 25.735 -10.734 16.320 1.00 12.32 C ATOM 717 O PHE A 45 25.587 -10.223 15.211 1.00 44.25 O ATOM 718 CB PHE A 45 23.762 -12.234 16.079 1.00 13.01 C ATOM 719 CG PHE A 45 22.711 -13.078 16.792 1.00 55.55 C ATOM 720 CD1 PHE A 45 22.449 -12.904 18.161 1.00 31.22 C ATOM 721 CD2 PHE A 45 22.001 -14.043 16.066 1.00 43.54 C ATOM 722 CE1 PHE A 45 21.481 -13.695 18.793 1.00 2.11 C ATOM 723 CE2 PHE A 45 21.035 -14.830 16.699 1.00 74.25 C ATOM 724 CZ PHE A 45 20.774 -14.657 18.063 1.00 11.12 C ATOM 0 H PHE A 45 22.790 -10.142 16.993 1.00 73.22 H new ATOM 0 HA PHE A 45 24.856 -11.892 17.918 1.00 0.40 H new ATOM 0 HB2 PHE A 45 23.280 -11.627 15.313 1.00 13.01 H new ATOM 0 HB3 PHE A 45 24.468 -12.890 15.569 1.00 13.01 H new ATOM 0 HD1 PHE A 45 22.993 -12.161 18.726 1.00 31.22 H new ATOM 0 HD2 PHE A 45 22.201 -14.179 15.013 1.00 43.54 H new ATOM 0 HE1 PHE A 45 21.280 -13.562 19.846 1.00 2.11 H new ATOM 0 HE2 PHE A 45 20.490 -15.572 16.135 1.00 74.25 H new ATOM 0 HZ PHE A 45 20.028 -15.265 18.552 1.00 11.12 H new ATOM 734 N PRO A 46 26.923 -10.811 16.890 1.00 33.44 N ATOM 735 CA PRO A 46 28.150 -10.291 16.215 1.00 1.25 C ATOM 736 C PRO A 46 28.422 -11.071 14.941 1.00 72.23 C ATOM 737 O PRO A 46 27.912 -12.178 14.774 1.00 63.41 O ATOM 738 CB PRO A 46 29.264 -10.515 17.242 1.00 45.41 C ATOM 739 CG PRO A 46 28.750 -11.601 18.127 1.00 3.22 C ATOM 740 CD PRO A 46 27.235 -11.392 18.210 1.00 61.54 C ATOM 0 HA PRO A 46 28.062 -9.245 15.921 1.00 1.25 H new ATOM 0 HB2 PRO A 46 30.196 -10.806 16.758 1.00 45.41 H new ATOM 0 HB3 PRO A 46 29.469 -9.606 17.808 1.00 45.41 H new ATOM 0 HG2 PRO A 46 28.987 -12.583 17.718 1.00 3.22 H new ATOM 0 HG3 PRO A 46 29.206 -11.548 19.115 1.00 3.22 H new ATOM 0 HD2 PRO A 46 26.704 -12.329 18.377 1.00 61.54 H new ATOM 0 HD3 PRO A 46 26.961 -10.721 19.024 1.00 61.54 H new ATOM 748 N PRO A 47 29.190 -10.530 14.039 1.00 24.43 N ATOM 749 CA PRO A 47 29.426 -11.175 12.720 1.00 3.35 C ATOM 750 C PRO A 47 30.022 -12.560 12.860 1.00 32.23 C ATOM 751 O PRO A 47 29.679 -13.471 12.104 1.00 60.40 O ATOM 752 CB PRO A 47 30.385 -10.219 12.002 1.00 22.12 C ATOM 753 CG PRO A 47 30.997 -9.393 13.092 1.00 61.03 C ATOM 754 CD PRO A 47 29.922 -9.260 14.170 1.00 72.21 C ATOM 0 HA PRO A 47 28.498 -11.329 12.169 1.00 3.35 H new ATOM 0 HB2 PRO A 47 31.147 -10.767 11.447 1.00 22.12 H new ATOM 0 HB3 PRO A 47 29.855 -9.594 11.283 1.00 22.12 H new ATOM 0 HG2 PRO A 47 31.892 -9.872 13.490 1.00 61.03 H new ATOM 0 HG3 PRO A 47 31.299 -8.415 12.718 1.00 61.03 H new ATOM 0 HD2 PRO A 47 30.354 -9.140 15.163 1.00 72.21 H new ATOM 0 HD3 PRO A 47 29.277 -8.399 13.997 1.00 72.21 H new ATOM 762 N VAL A 48 30.844 -12.741 13.869 1.00 2.22 N ATOM 763 CA VAL A 48 31.398 -14.047 14.135 1.00 3.34 C ATOM 764 C VAL A 48 30.290 -15.023 14.531 1.00 13.44 C ATOM 765 O VAL A 48 30.213 -16.133 14.012 1.00 24.32 O ATOM 766 CB VAL A 48 32.493 -13.960 15.222 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.915 -13.364 16.511 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.069 -15.354 15.510 1.00 41.53 C ATOM 0 H VAL A 48 31.141 -12.008 14.513 1.00 2.22 H new ATOM 0 HA VAL A 48 31.866 -14.424 13.225 1.00 3.34 H new ATOM 0 HB VAL A 48 33.291 -13.314 14.857 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.697 -13.308 17.269 1.00 44.54 H new ATOM 0 HG12 VAL A 48 31.533 -12.363 16.310 1.00 44.54 H new ATOM 0 HG13 VAL A 48 31.104 -13.996 16.872 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.839 -15.278 16.277 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.273 -16.012 15.859 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.504 -15.763 14.598 1.00 41.53 H new ATOM 778 N LEU A 49 29.427 -14.586 15.445 1.00 54.44 N ATOM 779 CA LEU A 49 28.297 -15.407 15.887 1.00 52.43 C ATOM 780 C LEU A 49 27.197 -15.476 14.842 1.00 2.01 C ATOM 781 O LEU A 49 26.542 -16.499 14.686 1.00 62.52 O ATOM 782 CB LEU A 49 27.723 -14.901 17.222 1.00 62.41 C ATOM 783 CG LEU A 49 28.746 -15.111 18.355 1.00 55.31 C ATOM 784 CD1 LEU A 49 28.239 -14.473 19.650 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.943 -16.601 18.585 1.00 21.42 C ATOM 0 H LEU A 49 29.486 -13.672 15.894 1.00 54.44 H new ATOM 0 HA LEU A 49 28.686 -16.415 16.033 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.472 -13.844 17.141 1.00 62.41 H new ATOM 0 HB3 LEU A 49 26.799 -15.431 17.453 1.00 62.41 H new ATOM 0 HG LEU A 49 29.689 -14.646 18.069 1.00 55.31 H new ATOM 0 HD11 LEU A 49 28.971 -14.628 20.443 1.00 45.40 H new ATOM 0 HD12 LEU A 49 28.092 -13.404 19.496 1.00 45.40 H new ATOM 0 HD13 LEU A 49 27.292 -14.932 19.935 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.666 -16.753 19.386 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.992 -17.055 18.864 1.00 21.42 H new ATOM 0 HD23 LEU A 49 29.312 -17.065 17.670 1.00 21.42 H new ATOM 797 N GLN A 50 26.956 -14.361 14.179 1.00 62.55 N ATOM 798 CA GLN A 50 25.867 -14.268 13.219 1.00 24.52 C ATOM 799 C GLN A 50 26.193 -15.066 11.972 1.00 43.40 C ATOM 800 O GLN A 50 26.512 -14.497 10.927 1.00 65.42 O ATOM 801 CB GLN A 50 25.595 -12.790 12.863 1.00 53.50 C ATOM 802 CG GLN A 50 24.085 -12.527 12.751 1.00 42.03 C ATOM 803 CD GLN A 50 23.536 -13.004 11.405 1.00 24.14 C ATOM 804 OE1 GLN A 50 22.333 -13.193 11.269 1.00 22.04 O ATOM 805 NE2 GLN A 50 24.339 -13.229 10.408 1.00 23.53 N ATOM 0 H GLN A 50 27.499 -13.504 14.286 1.00 62.55 H new ATOM 0 HA GLN A 50 24.967 -14.687 13.668 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.026 -12.142 13.626 1.00 53.50 H new ATOM 0 HB3 GLN A 50 26.083 -12.542 11.921 1.00 53.50 H new ATOM 0 HG2 GLN A 50 23.564 -13.038 13.560 1.00 42.03 H new ATOM 0 HG3 GLN A 50 23.890 -11.461 12.869 1.00 42.03 H new ATOM 0 HE21 GLN A 50 25.341 -13.073 10.515 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.967 -13.561 9.518 1.00 23.53 H new ATOM 814 N GLN A 51 26.133 -16.379 12.080 1.00 50.00 N ATOM 815 CA GLN A 51 26.452 -17.231 10.954 1.00 5.12 C ATOM 816 C GLN A 51 25.203 -17.903 10.406 1.00 24.14 C ATOM 817 O GLN A 51 24.584 -18.741 11.071 1.00 52.33 O ATOM 818 CB GLN A 51 27.471 -18.291 11.366 1.00 32.34 C ATOM 819 CG GLN A 51 28.776 -17.606 11.770 1.00 40.52 C ATOM 820 CD GLN A 51 29.821 -18.644 12.156 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.927 -18.257 12.696 1.00 2.14 O flip ATOM 822 NE2 GLN A 51 29.611 -19.848 11.968 1.00 64.45 N flip ATOM 0 H GLN A 51 25.868 -16.875 12.931 1.00 50.00 H new ATOM 0 HA GLN A 51 26.879 -16.606 10.170 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.084 -18.881 12.197 1.00 32.34 H new ATOM 0 HB3 GLN A 51 27.649 -18.981 10.541 1.00 32.34 H new ATOM 0 HG2 GLN A 51 29.146 -16.997 10.945 1.00 40.52 H new ATOM 0 HG3 GLN A 51 28.597 -16.932 12.608 1.00 40.52 H new ATOM 0 HE21 GLN A 51 28.736 -20.153 11.541 1.00 64.45 H new ATOM 0 HE22 GLN A 51 30.313 -20.537 12.240 1.00 64.45 H new ATOM 831 N TRP A 52 24.914 -17.617 9.152 1.00 42.04 N ATOM 832 CA TRP A 52 23.828 -18.258 8.448 1.00 31.04 C ATOM 833 C TRP A 52 24.380 -19.450 7.723 1.00 72.42 C ATOM 834 O TRP A 52 25.339 -19.312 6.959 1.00 1.43 O ATOM 835 CB TRP A 52 23.234 -17.292 7.416 1.00 75.43 C ATOM 836 CG TRP A 52 22.412 -16.252 8.092 1.00 45.20 C ATOM 837 CD1 TRP A 52 22.793 -15.534 9.170 1.00 33.04 C ATOM 838 CD2 TRP A 52 21.081 -15.793 7.744 1.00 51.21 C ATOM 839 NE1 TRP A 52 21.774 -14.670 9.508 1.00 11.32 N ATOM 840 CE2 TRP A 52 20.698 -14.790 8.659 1.00 62.02 C ATOM 841 CE3 TRP A 52 20.174 -16.151 6.729 1.00 64.11 C ATOM 842 CZ2 TRP A 52 19.460 -14.161 8.577 1.00 55.12 C ATOM 843 CZ3 TRP A 52 18.923 -15.519 6.641 1.00 45.22 C ATOM 844 CH2 TRP A 52 18.570 -14.528 7.565 1.00 64.43 C ATOM 0 H TRP A 52 25.427 -16.934 8.595 1.00 42.04 H new ATOM 0 HA TRP A 52 23.053 -18.554 9.155 1.00 31.04 H new ATOM 0 HB2 TRP A 52 24.035 -16.819 6.848 1.00 75.43 H new ATOM 0 HB3 TRP A 52 22.620 -17.843 6.703 1.00 75.43 H new ATOM 0 HD1 TRP A 52 23.740 -15.622 9.683 1.00 33.04 H new ATOM 0 HE1 TRP A 52 21.813 -14.020 10.293 1.00 11.32 H new ATOM 0 HE3 TRP A 52 20.441 -16.915 6.014 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 19.189 -13.396 9.289 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 18.232 -15.798 5.859 1.00 45.22 H new ATOM 0 HH2 TRP A 52 17.606 -14.046 7.495 1.00 64.43 H new ATOM 855 N VAL A 53 23.728 -20.580 7.850 1.00 64.50 N ATOM 856 CA VAL A 53 24.149 -21.739 7.108 1.00 13.22 C ATOM 857 C VAL A 53 23.223 -21.889 5.916 1.00 24.40 C ATOM 858 O VAL A 53 21.999 -21.992 6.066 1.00 52.11 O ATOM 859 CB VAL A 53 24.081 -22.992 8.003 1.00 15.40 C ATOM 860 CG1 VAL A 53 25.026 -24.076 7.469 1.00 70.32 C ATOM 861 CG2 VAL A 53 24.474 -22.628 9.443 1.00 70.32 C ATOM 0 H VAL A 53 22.916 -20.720 8.451 1.00 64.50 H new ATOM 0 HA VAL A 53 25.179 -21.623 6.770 1.00 13.22 H new ATOM 0 HB VAL A 53 23.060 -23.374 7.994 1.00 15.40 H new ATOM 0 HG11 VAL A 53 24.969 -24.956 8.110 1.00 70.32 H new ATOM 0 HG12 VAL A 53 24.733 -24.346 6.454 1.00 70.32 H new ATOM 0 HG13 VAL A 53 26.048 -23.697 7.463 1.00 70.32 H new ATOM 0 HG21 VAL A 53 24.424 -23.518 10.070 1.00 70.32 H new ATOM 0 HG22 VAL A 53 25.490 -22.233 9.454 1.00 70.32 H new ATOM 0 HG23 VAL A 53 23.788 -21.874 9.828 1.00 70.32 H new ATOM 871 N ILE A 54 23.799 -21.852 4.745 1.00 31.32 N ATOM 872 CA ILE A 54 23.050 -21.937 3.517 1.00 2.42 C ATOM 873 C ILE A 54 23.800 -22.832 2.545 1.00 55.44 C ATOM 874 O ILE A 54 25.000 -22.643 2.327 1.00 64.42 O ATOM 875 CB ILE A 54 22.868 -20.524 2.929 1.00 61.22 C ATOM 876 CG1 ILE A 54 22.096 -19.642 3.923 1.00 70.55 C ATOM 877 CG2 ILE A 54 22.073 -20.601 1.627 1.00 73.52 C ATOM 878 CD1 ILE A 54 22.090 -18.190 3.431 1.00 33.44 C ATOM 0 H ILE A 54 24.806 -21.762 4.613 1.00 31.32 H new ATOM 0 HA ILE A 54 22.064 -22.363 3.703 1.00 2.42 H new ATOM 0 HB ILE A 54 23.852 -20.096 2.738 1.00 61.22 H new ATOM 0 HG12 ILE A 54 21.073 -20.005 4.027 1.00 70.55 H new ATOM 0 HG13 ILE A 54 22.557 -19.700 4.909 1.00 70.55 H new ATOM 0 HG21 ILE A 54 21.948 -19.599 1.217 1.00 73.52 H new ATOM 0 HG22 ILE A 54 22.609 -21.222 0.910 1.00 73.52 H new ATOM 0 HG23 ILE A 54 21.094 -21.037 1.824 1.00 73.52 H new ATOM 0 HD11 ILE A 54 21.542 -17.568 4.139 1.00 33.44 H new ATOM 0 HD12 ILE A 54 23.115 -17.829 3.350 1.00 33.44 H new ATOM 0 HD13 ILE A 54 21.609 -18.139 2.454 1.00 33.44 H new ATOM 890 N GLY A 55 23.119 -23.803 1.979 1.00 44.24 N ATOM 891 CA GLY A 55 23.756 -24.715 1.050 1.00 72.21 C ATOM 892 C GLY A 55 24.276 -23.969 -0.163 1.00 2.10 C ATOM 893 O GLY A 55 25.408 -24.171 -0.586 1.00 62.13 O ATOM 0 H GLY A 55 22.129 -23.983 2.143 1.00 44.24 H new ATOM 0 HA2 GLY A 55 24.578 -25.231 1.546 1.00 72.21 H new ATOM 0 HA3 GLY A 55 23.044 -25.478 0.736 1.00 72.21 H new ATOM 897 N GLN A 56 23.423 -23.137 -0.740 1.00 71.41 N ATOM 898 CA GLN A 56 23.774 -22.379 -1.934 1.00 61.53 C ATOM 899 C GLN A 56 24.867 -21.342 -1.658 1.00 71.41 C ATOM 900 O GLN A 56 25.735 -21.105 -2.500 1.00 14.44 O ATOM 901 CB GLN A 56 22.528 -21.693 -2.499 1.00 1.42 C ATOM 902 CG GLN A 56 21.557 -22.760 -3.020 1.00 54.32 C ATOM 903 CD GLN A 56 20.275 -22.119 -3.541 1.00 14.01 C ATOM 904 OE1 GLN A 56 20.138 -20.828 -3.519 1.00 34.33 O flip ATOM 905 NE2 GLN A 56 19.372 -22.821 -3.987 1.00 5.11 N flip ATOM 0 H GLN A 56 22.477 -22.968 -0.399 1.00 71.41 H new ATOM 0 HA GLN A 56 24.171 -23.082 -2.666 1.00 61.53 H new ATOM 0 HB2 GLN A 56 22.047 -21.093 -1.727 1.00 1.42 H new ATOM 0 HB3 GLN A 56 22.806 -21.013 -3.304 1.00 1.42 H new ATOM 0 HG2 GLN A 56 22.032 -23.332 -3.817 1.00 54.32 H new ATOM 0 HG3 GLN A 56 21.319 -23.462 -2.221 1.00 54.32 H new ATOM 0 HE21 GLN A 56 19.477 -23.835 -4.006 1.00 5.11 H new ATOM 0 HE22 GLN A 56 18.517 -22.390 -4.339 1.00 5.11 H new ATOM 914 N ARG A 57 24.766 -20.674 -0.516 1.00 54.23 N ATOM 915 CA ARG A 57 25.662 -19.564 -0.185 1.00 14.45 C ATOM 916 C ARG A 57 27.087 -20.034 0.067 1.00 42.21 C ATOM 917 O ARG A 57 27.310 -21.114 0.628 1.00 54.43 O ATOM 918 CB ARG A 57 25.183 -18.832 1.074 1.00 41.54 C ATOM 919 CG ARG A 57 25.657 -17.368 1.048 1.00 32.25 C ATOM 920 CD ARG A 57 25.652 -16.811 2.474 1.00 32.13 C ATOM 921 NE ARG A 57 26.796 -17.365 3.205 1.00 22.13 N ATOM 922 CZ ARG A 57 26.720 -17.814 4.466 1.00 2.30 C ATOM 923 NH1 ARG A 57 25.574 -17.849 5.086 1.00 74.12 N ATOM 924 NH2 ARG A 57 27.794 -18.229 5.072 1.00 71.11 N ATOM 0 H ARG A 57 24.071 -20.880 0.202 1.00 54.23 H new ATOM 0 HA ARG A 57 25.648 -18.896 -1.047 1.00 14.45 H new ATOM 0 HB2 ARG A 57 24.095 -18.869 1.134 1.00 41.54 H new ATOM 0 HB3 ARG A 57 25.568 -19.331 1.963 1.00 41.54 H new ATOM 0 HG2 ARG A 57 26.659 -17.305 0.624 1.00 32.25 H new ATOM 0 HG3 ARG A 57 25.003 -16.773 0.410 1.00 32.25 H new ATOM 0 HD2 ARG A 57 25.709 -15.723 2.454 1.00 32.13 H new ATOM 0 HD3 ARG A 57 24.721 -17.072 2.977 1.00 32.13 H new ATOM 0 HE ARG A 57 27.697 -17.411 2.729 1.00 22.13 H new ATOM 0 HH11 ARG A 57 24.728 -17.534 4.612 1.00 74.12 H new ATOM 0 HH12 ARG A 57 25.523 -18.192 6.045 1.00 74.12 H new ATOM 0 HH21 ARG A 57 28.692 -18.212 4.588 1.00 71.11 H new ATOM 0 HH22 ARG A 57 27.738 -18.571 6.031 1.00 71.11 H new ATOM 938 N LEU A 58 28.017 -19.123 -0.156 1.00 65.05 N ATOM 939 CA LEU A 58 29.411 -19.299 0.226 1.00 31.53 C ATOM 940 C LEU A 58 29.717 -18.346 1.372 1.00 54.55 C ATOM 941 O LEU A 58 28.841 -17.566 1.779 1.00 13.21 O ATOM 942 CB LEU A 58 30.336 -19.016 -0.965 1.00 52.33 C ATOM 943 CG LEU A 58 29.945 -19.916 -2.155 1.00 32.24 C ATOM 944 CD1 LEU A 58 30.849 -19.609 -3.345 1.00 61.12 C ATOM 945 CD2 LEU A 58 30.099 -21.392 -1.774 1.00 55.40 C ATOM 0 H LEU A 58 27.826 -18.231 -0.612 1.00 65.05 H new ATOM 0 HA LEU A 58 29.581 -20.329 0.541 1.00 31.53 H new ATOM 0 HB2 LEU A 58 30.264 -17.967 -1.252 1.00 52.33 H new ATOM 0 HB3 LEU A 58 31.373 -19.199 -0.684 1.00 52.33 H new ATOM 0 HG LEU A 58 28.906 -19.720 -2.419 1.00 32.24 H new ATOM 0 HD11 LEU A 58 30.572 -20.245 -4.186 1.00 61.12 H new ATOM 0 HD12 LEU A 58 30.734 -18.563 -3.629 1.00 61.12 H new ATOM 0 HD13 LEU A 58 31.887 -19.799 -3.072 1.00 61.12 H new ATOM 0 HD21 LEU A 58 29.820 -22.018 -2.622 1.00 55.40 H new ATOM 0 HD22 LEU A 58 31.135 -21.591 -1.501 1.00 55.40 H new ATOM 0 HD23 LEU A 58 29.451 -21.619 -0.927 1.00 55.40 H new ATOM 957 N ALA A 59 30.926 -18.406 1.912 1.00 35.55 N ATOM 958 CA ALA A 59 31.315 -17.505 3.006 1.00 42.01 C ATOM 959 C ALA A 59 31.340 -16.055 2.518 1.00 65.22 C ATOM 960 O ALA A 59 32.357 -15.356 2.642 1.00 41.30 O ATOM 961 CB ALA A 59 32.681 -17.896 3.574 1.00 11.31 C ATOM 0 H ALA A 59 31.653 -19.059 1.620 1.00 35.55 H new ATOM 0 HA ALA A 59 30.575 -17.596 3.801 1.00 42.01 H new ATOM 0 HB1 ALA A 59 32.947 -17.215 4.382 1.00 11.31 H new ATOM 0 HB2 ALA A 59 32.637 -18.915 3.958 1.00 11.31 H new ATOM 0 HB3 ALA A 59 33.433 -17.837 2.787 1.00 11.31 H new ATOM 967 N ARG A 60 30.241 -15.642 1.904 1.00 75.14 N ATOM 968 CA ARG A 60 30.091 -14.312 1.336 1.00 23.34 C ATOM 969 C ARG A 60 28.842 -13.646 1.905 1.00 54.11 C ATOM 970 O ARG A 60 27.719 -14.087 1.656 1.00 12.14 O ATOM 971 CB ARG A 60 30.011 -14.439 -0.195 1.00 30.40 C ATOM 972 CG ARG A 60 29.848 -13.075 -0.876 1.00 11.11 C ATOM 973 CD ARG A 60 30.008 -13.268 -2.391 1.00 21.13 C ATOM 974 NE ARG A 60 29.042 -14.252 -2.887 1.00 41.43 N ATOM 975 CZ ARG A 60 29.321 -15.069 -3.911 1.00 20.23 C ATOM 976 NH1 ARG A 60 30.428 -14.918 -4.586 1.00 64.24 N ATOM 977 NH2 ARG A 60 28.482 -16.002 -4.244 1.00 14.15 N ATOM 0 H ARG A 60 29.417 -16.231 1.785 1.00 75.14 H new ATOM 0 HA ARG A 60 30.946 -13.687 1.594 1.00 23.34 H new ATOM 0 HB2 ARG A 60 30.914 -14.924 -0.566 1.00 30.40 H new ATOM 0 HB3 ARG A 60 29.171 -15.081 -0.462 1.00 30.40 H new ATOM 0 HG2 ARG A 60 28.869 -12.652 -0.649 1.00 11.11 H new ATOM 0 HG3 ARG A 60 30.593 -12.373 -0.502 1.00 11.11 H new ATOM 0 HD2 ARG A 60 29.862 -12.316 -2.902 1.00 21.13 H new ATOM 0 HD3 ARG A 60 31.022 -13.599 -2.617 1.00 21.13 H new ATOM 0 HE ARG A 60 28.128 -14.317 -2.438 1.00 41.43 H new ATOM 0 HH11 ARG A 60 31.082 -14.177 -4.334 1.00 64.24 H new ATOM 0 HH12 ARG A 60 30.639 -15.541 -5.366 1.00 64.24 H new ATOM 0 HH21 ARG A 60 27.610 -16.113 -3.726 1.00 14.15 H new ATOM 0 HH22 ARG A 60 28.694 -16.624 -5.024 1.00 14.15 H new ATOM 991 N ASP A 61 29.057 -12.612 2.698 1.00 5.24 N ATOM 992 CA ASP A 61 27.977 -11.885 3.369 1.00 62.30 C ATOM 993 C ASP A 61 27.143 -11.101 2.375 1.00 23.25 C ATOM 994 O ASP A 61 25.992 -10.758 2.650 1.00 41.02 O ATOM 995 CB ASP A 61 28.555 -10.912 4.407 1.00 4.03 C ATOM 996 CG ASP A 61 29.505 -9.910 3.751 1.00 13.24 C ATOM 997 OD1 ASP A 61 30.088 -10.235 2.739 1.00 33.05 O ATOM 998 OD2 ASP A 61 29.650 -8.833 4.283 1.00 24.14 O ATOM 0 H ASP A 61 29.987 -12.246 2.900 1.00 5.24 H new ATOM 0 HA ASP A 61 27.343 -12.622 3.862 1.00 62.30 H new ATOM 0 HB2 ASP A 61 27.743 -10.378 4.902 1.00 4.03 H new ATOM 0 HB3 ASP A 61 29.086 -11.471 5.178 1.00 4.03 H new ATOM 1003 N GLN A 62 27.771 -10.710 1.286 1.00 12.52 N ATOM 1004 CA GLN A 62 27.142 -9.835 0.306 1.00 34.33 C ATOM 1005 C GLN A 62 26.010 -10.541 -0.426 1.00 44.45 C ATOM 1006 O GLN A 62 25.167 -9.893 -1.057 1.00 1.43 O ATOM 1007 CB GLN A 62 28.187 -9.305 -0.687 1.00 0.02 C ATOM 1008 CG GLN A 62 29.159 -8.384 0.057 1.00 25.23 C ATOM 1009 CD GLN A 62 30.261 -7.909 -0.875 1.00 11.12 C ATOM 1010 OE1 GLN A 62 30.094 -6.908 -1.579 1.00 1.45 O ATOM 1011 NE2 GLN A 62 31.379 -8.560 -0.926 1.00 15.21 N ATOM 0 H GLN A 62 28.725 -10.985 1.052 1.00 12.52 H new ATOM 0 HA GLN A 62 26.709 -8.989 0.840 1.00 34.33 H new ATOM 0 HB2 GLN A 62 28.728 -10.134 -1.143 1.00 0.02 H new ATOM 0 HB3 GLN A 62 27.697 -8.762 -1.495 1.00 0.02 H new ATOM 0 HG2 GLN A 62 28.620 -7.526 0.460 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.594 -8.913 0.904 1.00 25.23 H new ATOM 0 HE21 GLN A 62 31.515 -9.386 -0.344 1.00 15.21 H new ATOM 0 HE22 GLN A 62 32.124 -8.246 -1.548 1.00 15.21 H new ATOM 1020 N GLU A 63 26.023 -11.869 -0.381 1.00 4.31 N ATOM 1021 CA GLU A 63 25.043 -12.674 -1.093 1.00 63.23 C ATOM 1022 C GLU A 63 23.629 -12.138 -0.946 1.00 22.23 C ATOM 1023 O GLU A 63 23.169 -11.839 0.167 1.00 10.12 O ATOM 1024 CB GLU A 63 25.106 -14.136 -0.644 1.00 4.24 C ATOM 1025 CG GLU A 63 26.381 -14.788 -1.186 1.00 13.54 C ATOM 1026 CD GLU A 63 26.179 -15.243 -2.624 1.00 55.25 C ATOM 1027 OE1 GLU A 63 25.771 -14.442 -3.436 1.00 51.42 O ATOM 1028 OE2 GLU A 63 26.453 -16.389 -2.900 1.00 33.23 O ATOM 0 H GLU A 63 26.708 -12.412 0.146 1.00 4.31 H new ATOM 0 HA GLU A 63 25.302 -12.615 -2.150 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.091 -14.193 0.444 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.229 -14.675 -1.003 1.00 4.24 H new ATOM 0 HG2 GLU A 63 27.208 -14.080 -1.136 1.00 13.54 H new ATOM 0 HG3 GLU A 63 26.653 -15.641 -0.564 1.00 13.54 H new ATOM 1035 N THR A 64 22.930 -12.090 -2.071 1.00 35.12 N ATOM 1036 CA THR A 64 21.554 -11.672 -2.111 1.00 71.14 C ATOM 1037 C THR A 64 20.680 -12.748 -1.489 1.00 54.02 C ATOM 1038 O THR A 64 21.005 -13.944 -1.550 1.00 2.04 O ATOM 1039 CB THR A 64 21.125 -11.410 -3.568 1.00 71.33 C ATOM 1040 OG1 THR A 64 22.230 -11.659 -4.438 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.666 -9.956 -3.732 1.00 70.13 C ATOM 0 H THR A 64 23.313 -12.343 -2.982 1.00 35.12 H new ATOM 0 HA THR A 64 21.439 -10.748 -1.544 1.00 71.14 H new ATOM 0 HB THR A 64 20.298 -12.074 -3.820 1.00 71.33 H new ATOM 0 HG1 THR A 64 22.227 -12.601 -4.709 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.366 -9.784 -4.766 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.820 -9.765 -3.072 1.00 70.13 H new ATOM 0 HG23 THR A 64 21.486 -9.285 -3.476 1.00 70.13 H new ATOM 1049 N LEU A 65 19.580 -12.348 -0.909 1.00 11.25 N ATOM 1050 CA LEU A 65 18.695 -13.311 -0.305 1.00 22.02 C ATOM 1051 C LEU A 65 18.203 -14.242 -1.388 1.00 11.33 C ATOM 1052 O LEU A 65 18.161 -15.462 -1.210 1.00 62.22 O ATOM 1053 CB LEU A 65 17.525 -12.622 0.383 1.00 34.52 C ATOM 1054 CG LEU A 65 18.049 -11.717 1.507 1.00 14.33 C ATOM 1055 CD1 LEU A 65 16.878 -11.144 2.293 1.00 43.21 C ATOM 1056 CD2 LEU A 65 18.986 -12.487 2.443 1.00 30.03 C ATOM 0 H LEU A 65 19.277 -11.376 -0.841 1.00 11.25 H new ATOM 0 HA LEU A 65 19.231 -13.874 0.459 1.00 22.02 H new ATOM 0 HB2 LEU A 65 16.961 -12.032 -0.340 1.00 34.52 H new ATOM 0 HB3 LEU A 65 16.840 -13.366 0.791 1.00 34.52 H new ATOM 0 HG LEU A 65 18.617 -10.902 1.057 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.254 -10.502 3.090 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.243 -10.561 1.626 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.297 -11.958 2.726 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.342 -11.822 3.229 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.447 -13.322 2.891 1.00 30.03 H new ATOM 0 HD23 LEU A 65 19.836 -12.866 1.876 1.00 30.03 H new ATOM 1068 N HIS A 66 17.946 -13.672 -2.551 1.00 73.23 N ATOM 1069 CA HIS A 66 17.580 -14.460 -3.707 1.00 34.14 C ATOM 1070 C HIS A 66 18.690 -15.470 -4.002 1.00 10.32 C ATOM 1071 O HIS A 66 18.424 -16.628 -4.308 1.00 1.13 O ATOM 1072 CB HIS A 66 17.345 -13.566 -4.928 1.00 25.42 C ATOM 1073 CG HIS A 66 16.542 -14.332 -5.944 1.00 52.33 C ATOM 1074 ND1 HIS A 66 17.095 -15.331 -6.729 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.219 -14.264 -6.296 1.00 15.50 C ATOM 1076 CE1 HIS A 66 16.109 -15.824 -7.507 1.00 44.55 C ATOM 1077 NE2 HIS A 66 14.945 -15.207 -7.283 1.00 53.54 N ATOM 0 H HIS A 66 17.985 -12.666 -2.717 1.00 73.23 H new ATOM 0 HA HIS A 66 16.651 -14.987 -3.492 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.816 -12.659 -4.635 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.298 -13.255 -5.357 1.00 25.42 H new ATOM 0 HD2 HIS A 66 14.498 -13.582 -5.872 1.00 15.50 H new ATOM 0 HE1 HIS A 66 16.244 -16.621 -8.224 1.00 44.55 H new ATOM 0 HE2 HIS A 66 14.050 -15.388 -7.737 1.00 53.54 H new ATOM 1086 N SER A 67 19.937 -15.039 -3.841 1.00 14.51 N ATOM 1087 CA SER A 67 21.076 -15.930 -4.035 1.00 21.22 C ATOM 1088 C SER A 67 20.981 -17.107 -3.057 1.00 5.04 C ATOM 1089 O SER A 67 21.116 -18.270 -3.452 1.00 31.30 O ATOM 1090 CB SER A 67 22.386 -15.162 -3.821 1.00 53.23 C ATOM 1091 OG SER A 67 22.368 -13.977 -4.624 1.00 52.30 O ATOM 0 H SER A 67 20.184 -14.085 -3.578 1.00 14.51 H new ATOM 0 HA SER A 67 21.063 -16.315 -5.055 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.502 -14.902 -2.769 1.00 53.23 H new ATOM 0 HB3 SER A 67 23.237 -15.787 -4.091 1.00 53.23 H new ATOM 0 HG SER A 67 23.256 -13.832 -5.013 1.00 52.30 H new ATOM 1097 N HIS A 68 20.572 -16.813 -1.829 1.00 71.23 N ATOM 1098 CA HIS A 68 20.280 -17.863 -0.861 1.00 44.15 C ATOM 1099 C HIS A 68 19.041 -18.634 -1.313 1.00 51.40 C ATOM 1100 O HIS A 68 18.970 -19.854 -1.168 1.00 71.43 O ATOM 1101 CB HIS A 68 20.098 -17.259 0.563 1.00 24.14 C ATOM 1102 CG HIS A 68 19.119 -18.069 1.399 1.00 33.13 C ATOM 1103 ND1 HIS A 68 18.192 -17.457 2.231 1.00 40.22 N ATOM 1104 CD2 HIS A 68 18.889 -19.424 1.519 1.00 74.41 C ATOM 1105 CE1 HIS A 68 17.452 -18.431 2.805 1.00 31.20 C ATOM 1106 NE2 HIS A 68 17.833 -19.647 2.404 1.00 62.11 N ATOM 0 H HIS A 68 20.436 -15.864 -1.482 1.00 71.23 H new ATOM 0 HA HIS A 68 21.118 -18.558 -0.808 1.00 44.15 H new ATOM 0 HB2 HIS A 68 21.063 -17.222 1.068 1.00 24.14 H new ATOM 0 HB3 HIS A 68 19.742 -16.232 0.480 1.00 24.14 H new ATOM 0 HD2 HIS A 68 19.443 -20.196 1.005 1.00 74.41 H new ATOM 0 HE1 HIS A 68 16.649 -18.248 3.504 1.00 31.20 H new ATOM 0 HE2 HIS A 68 17.438 -20.545 2.684 1.00 62.11 H new ATOM 1115 N GLY A 69 18.129 -17.937 -1.969 1.00 24.31 N ATOM 1116 CA GLY A 69 16.935 -18.569 -2.522 1.00 1.43 C ATOM 1117 C GLY A 69 15.671 -17.921 -2.000 1.00 24.22 C ATOM 1118 O GLY A 69 14.563 -18.394 -2.282 1.00 54.34 O ATOM 0 H GLY A 69 18.189 -16.932 -2.134 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.957 -18.501 -3.610 1.00 1.43 H new ATOM 0 HA3 GLY A 69 16.933 -19.629 -2.269 1.00 1.43 H new ATOM 1122 N VAL A 70 15.819 -16.813 -1.284 1.00 14.11 N ATOM 1123 CA VAL A 70 14.655 -16.102 -0.783 1.00 2.23 C ATOM 1124 C VAL A 70 14.056 -15.294 -1.915 1.00 63.41 C ATOM 1125 O VAL A 70 14.761 -14.543 -2.579 1.00 21.42 O ATOM 1126 CB VAL A 70 15.040 -15.173 0.375 1.00 22.03 C ATOM 1127 CG1 VAL A 70 13.783 -14.735 1.142 1.00 73.22 C ATOM 1128 CG2 VAL A 70 15.995 -15.892 1.330 1.00 4.51 C ATOM 0 H VAL A 70 16.717 -16.395 -1.042 1.00 14.11 H new ATOM 0 HA VAL A 70 13.927 -16.822 -0.409 1.00 2.23 H new ATOM 0 HB VAL A 70 15.535 -14.293 -0.035 1.00 22.03 H new ATOM 0 HG11 VAL A 70 14.068 -14.076 1.962 1.00 73.22 H new ATOM 0 HG12 VAL A 70 13.111 -14.205 0.467 1.00 73.22 H new ATOM 0 HG13 VAL A 70 13.276 -15.613 1.542 1.00 73.22 H new ATOM 0 HG21 VAL A 70 16.262 -15.224 2.149 1.00 4.51 H new ATOM 0 HG22 VAL A 70 15.508 -16.781 1.731 1.00 4.51 H new ATOM 0 HG23 VAL A 70 16.896 -16.184 0.791 1.00 4.51 H new ATOM 1138 N ARG A 71 12.798 -15.529 -2.198 1.00 60.24 N ATOM 1139 CA ARG A 71 12.142 -14.905 -3.337 1.00 5.14 C ATOM 1140 C ARG A 71 10.813 -14.327 -2.912 1.00 73.44 C ATOM 1141 O ARG A 71 10.400 -13.261 -3.373 1.00 42.30 O ATOM 1142 CB ARG A 71 11.912 -15.963 -4.412 1.00 72.31 C ATOM 1143 CG ARG A 71 13.221 -16.751 -4.629 1.00 42.42 C ATOM 1144 CD ARG A 71 12.925 -18.102 -5.287 1.00 13.23 C ATOM 1145 NE ARG A 71 11.606 -18.591 -4.877 1.00 43.00 N ATOM 1146 CZ ARG A 71 11.300 -18.899 -3.605 1.00 42.14 C ATOM 1147 NH1 ARG A 71 12.214 -18.841 -2.668 1.00 15.55 N ATOM 1148 NH2 ARG A 71 10.084 -19.255 -3.310 1.00 31.11 N ATOM 0 H ARG A 71 12.199 -16.151 -1.655 1.00 60.24 H new ATOM 0 HA ARG A 71 12.770 -14.104 -3.727 1.00 5.14 H new ATOM 0 HB2 ARG A 71 11.111 -16.638 -4.110 1.00 72.31 H new ATOM 0 HB3 ARG A 71 11.597 -15.492 -5.343 1.00 72.31 H new ATOM 0 HG2 ARG A 71 13.901 -16.174 -5.256 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.723 -16.906 -3.674 1.00 42.42 H new ATOM 0 HD2 ARG A 71 12.962 -18.001 -6.372 1.00 13.23 H new ATOM 0 HD3 ARG A 71 13.691 -18.825 -5.008 1.00 13.23 H new ATOM 0 HE ARG A 71 10.886 -18.703 -5.591 1.00 43.00 H new ATOM 0 HH11 ARG A 71 13.166 -18.560 -2.901 1.00 15.55 H new ATOM 0 HH12 ARG A 71 11.973 -19.076 -1.705 1.00 15.55 H new ATOM 0 HH21 ARG A 71 9.374 -19.298 -4.041 1.00 31.11 H new ATOM 0 HH22 ARG A 71 9.841 -19.491 -2.348 1.00 31.11 H new ATOM 1162 N GLN A 72 10.129 -15.052 -2.050 1.00 22.33 N ATOM 1163 CA GLN A 72 8.830 -14.638 -1.555 1.00 11.22 C ATOM 1164 C GLN A 72 8.692 -14.975 -0.095 1.00 63.41 C ATOM 1165 O GLN A 72 9.386 -15.843 0.423 1.00 54.20 O ATOM 1166 CB GLN A 72 7.712 -15.322 -2.333 1.00 72.22 C ATOM 1167 CG GLN A 72 7.646 -14.762 -3.749 1.00 11.44 C ATOM 1168 CD GLN A 72 6.625 -15.549 -4.542 1.00 64.24 C ATOM 1169 OE1 GLN A 72 5.452 -15.177 -4.594 1.00 55.53 O ATOM 1170 NE2 GLN A 72 6.988 -16.644 -5.119 1.00 55.43 N ATOM 0 H GLN A 72 10.456 -15.942 -1.673 1.00 22.33 H new ATOM 0 HA GLN A 72 8.751 -13.559 -1.688 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.886 -16.398 -2.366 1.00 72.22 H new ATOM 0 HB3 GLN A 72 6.759 -15.168 -1.827 1.00 72.22 H new ATOM 0 HG2 GLN A 72 7.372 -13.707 -3.725 1.00 11.44 H new ATOM 0 HG3 GLN A 72 8.624 -14.826 -4.226 1.00 11.44 H new ATOM 0 HE21 GLN A 72 7.961 -16.947 -5.072 1.00 55.43 H new ATOM 0 HE22 GLN A 72 6.302 -17.207 -5.622 1.00 55.43 H new ATOM 1179 N ASN A 73 7.741 -14.349 0.543 1.00 71.53 N ATOM 1180 CA ASN A 73 7.452 -14.634 1.939 1.00 20.42 C ATOM 1181 C ASN A 73 7.296 -16.137 2.136 1.00 52.02 C ATOM 1182 O ASN A 73 6.737 -16.826 1.276 1.00 44.32 O ATOM 1183 CB ASN A 73 6.167 -13.915 2.372 1.00 43.42 C ATOM 1184 CG ASN A 73 4.947 -14.607 1.760 1.00 52.31 C ATOM 1185 OD1 ASN A 73 4.885 -14.768 0.480 1.00 70.33 O flip ATOM 1186 ND2 ASN A 73 4.030 -15.016 2.476 1.00 55.51 N flip ATOM 0 H ASN A 73 7.146 -13.634 0.124 1.00 71.53 H new ATOM 0 HA ASN A 73 8.279 -14.275 2.552 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.089 -13.916 3.459 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.200 -12.872 2.056 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.077 -14.890 3.487 1.00 55.51 H new ATOM 0 HD22 ASN A 73 3.224 -15.481 2.057 1.00 55.51 H new ATOM 1193 N GLY A 74 7.808 -16.643 3.238 1.00 42.33 N ATOM 1194 CA GLY A 74 7.729 -18.064 3.528 1.00 72.21 C ATOM 1195 C GLY A 74 9.059 -18.769 3.300 1.00 53.51 C ATOM 1196 O GLY A 74 9.210 -19.946 3.642 1.00 53.41 O ATOM 0 H GLY A 74 8.285 -16.092 3.951 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.417 -18.206 4.563 1.00 72.21 H new ATOM 0 HA3 GLY A 74 6.965 -18.520 2.899 1.00 72.21 H new ATOM 1200 N ASP A 75 10.037 -18.044 2.771 1.00 74.32 N ATOM 1201 CA ASP A 75 11.377 -18.604 2.586 1.00 40.23 C ATOM 1202 C ASP A 75 12.058 -18.777 3.943 1.00 33.23 C ATOM 1203 O ASP A 75 11.724 -18.084 4.907 1.00 22.31 O ATOM 1204 CB ASP A 75 12.226 -17.743 1.637 1.00 54.44 C ATOM 1205 CG ASP A 75 11.814 -17.982 0.183 1.00 32.10 C ATOM 1206 OD1 ASP A 75 11.652 -19.132 -0.195 1.00 41.44 O ATOM 1207 OD2 ASP A 75 11.675 -17.025 -0.543 1.00 43.04 O ATOM 0 H ASP A 75 9.933 -17.077 2.464 1.00 74.32 H new ATOM 0 HA ASP A 75 11.279 -19.583 2.117 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.105 -16.689 1.887 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.282 -17.982 1.766 1.00 54.44 H new ATOM 1212 N SER A 76 12.893 -19.790 4.059 1.00 54.11 N ATOM 1213 CA SER A 76 13.477 -20.150 5.347 1.00 54.23 C ATOM 1214 C SER A 76 15.006 -20.247 5.256 1.00 1.51 C ATOM 1215 O SER A 76 15.554 -20.571 4.195 1.00 74.44 O ATOM 1216 CB SER A 76 12.891 -21.494 5.807 1.00 52.41 C ATOM 1217 OG SER A 76 11.536 -21.610 5.349 1.00 21.32 O ATOM 0 H SER A 76 13.186 -20.381 3.281 1.00 54.11 H new ATOM 0 HA SER A 76 13.235 -19.372 6.071 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.490 -22.316 5.415 1.00 52.41 H new ATOM 0 HB3 SER A 76 12.925 -21.564 6.894 1.00 52.41 H new ATOM 0 HG SER A 76 10.974 -20.963 5.824 1.00 21.32 H new ATOM 1223 N ALA A 77 15.692 -19.983 6.374 1.00 33.13 N ATOM 1224 CA ALA A 77 17.161 -20.078 6.423 1.00 74.42 C ATOM 1225 C ALA A 77 17.640 -20.700 7.734 1.00 71.15 C ATOM 1226 O ALA A 77 16.865 -20.849 8.687 1.00 14.41 O ATOM 1227 CB ALA A 77 17.813 -18.705 6.225 1.00 5.24 C ATOM 0 H ALA A 77 15.259 -19.703 7.254 1.00 33.13 H new ATOM 0 HA ALA A 77 17.465 -20.730 5.604 1.00 74.42 H new ATOM 0 HB1 ALA A 77 18.897 -18.808 6.266 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.523 -18.301 5.255 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.482 -18.028 7.013 1.00 5.24 H new ATOM 1233 N TYR A 78 18.914 -21.080 7.766 1.00 12.02 N ATOM 1234 CA TYR A 78 19.509 -21.748 8.924 1.00 11.21 C ATOM 1235 C TYR A 78 20.634 -20.881 9.495 1.00 11.53 C ATOM 1236 O TYR A 78 21.514 -20.451 8.755 1.00 70.42 O ATOM 1237 CB TYR A 78 20.079 -23.101 8.466 1.00 33.45 C ATOM 1238 CG TYR A 78 20.012 -24.131 9.570 1.00 43.33 C ATOM 1239 CD1 TYR A 78 18.809 -24.795 9.820 1.00 21.22 C ATOM 1240 CD2 TYR A 78 21.152 -24.440 10.326 1.00 61.00 C ATOM 1241 CE1 TYR A 78 18.738 -25.770 10.814 1.00 41.13 C ATOM 1242 CE2 TYR A 78 21.081 -25.414 11.330 1.00 1.34 C ATOM 1243 CZ TYR A 78 19.869 -26.083 11.572 1.00 43.02 C ATOM 1244 OH TYR A 78 19.793 -27.064 12.545 1.00 40.42 O ATOM 0 H TYR A 78 19.563 -20.935 6.993 1.00 12.02 H new ATOM 0 HA TYR A 78 18.755 -21.902 9.696 1.00 11.21 H new ATOM 0 HB2 TYR A 78 19.522 -23.458 7.600 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.114 -22.973 8.149 1.00 33.45 H new ATOM 0 HD1 TYR A 78 17.930 -24.552 9.241 1.00 21.22 H new ATOM 0 HD2 TYR A 78 22.083 -23.928 10.134 1.00 61.00 H new ATOM 0 HE1 TYR A 78 17.807 -26.285 10.998 1.00 41.13 H new ATOM 0 HE2 TYR A 78 21.956 -25.650 11.917 1.00 1.34 H new ATOM 0 HH TYR A 78 19.555 -26.655 13.404 1.00 40.42 H new ATOM 1254 N LEU A 79 20.592 -20.616 10.794 1.00 25.24 N ATOM 1255 CA LEU A 79 21.603 -19.782 11.453 1.00 53.21 C ATOM 1256 C LEU A 79 22.273 -20.564 12.582 1.00 53.55 C ATOM 1257 O LEU A 79 21.601 -21.269 13.334 1.00 62.25 O ATOM 1258 CB LEU A 79 20.941 -18.503 12.001 1.00 53.33 C ATOM 1259 CG LEU A 79 22.005 -17.462 12.406 1.00 44.43 C ATOM 1260 CD1 LEU A 79 21.396 -16.056 12.371 1.00 75.51 C ATOM 1261 CD2 LEU A 79 22.516 -17.753 13.818 1.00 71.21 C ATOM 0 H LEU A 79 19.867 -20.966 11.420 1.00 25.24 H new ATOM 0 HA LEU A 79 22.367 -19.501 10.728 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.280 -18.078 11.245 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.322 -18.750 12.863 1.00 53.33 H new ATOM 0 HG LEU A 79 22.836 -17.520 11.703 1.00 44.43 H new ATOM 0 HD11 LEU A 79 22.152 -15.325 12.658 1.00 75.51 H new ATOM 0 HD12 LEU A 79 21.044 -15.837 11.363 1.00 75.51 H new ATOM 0 HD13 LEU A 79 20.559 -16.005 13.067 1.00 75.51 H new ATOM 0 HD21 LEU A 79 23.267 -17.012 14.093 1.00 71.21 H new ATOM 0 HD22 LEU A 79 21.685 -17.707 14.522 1.00 71.21 H new ATOM 0 HD23 LEU A 79 22.961 -18.748 13.846 1.00 71.21 H new ATOM 1273 N TYR A 80 23.586 -20.450 12.691 1.00 5.12 N ATOM 1274 CA TYR A 80 24.334 -21.148 13.738 1.00 41.02 C ATOM 1275 C TYR A 80 25.120 -20.155 14.578 1.00 42.44 C ATOM 1276 O TYR A 80 25.844 -19.325 14.035 1.00 55.24 O ATOM 1277 CB TYR A 80 25.306 -22.168 13.120 1.00 20.13 C ATOM 1278 CG TYR A 80 26.020 -22.917 14.226 1.00 72.33 C ATOM 1279 CD1 TYR A 80 25.461 -24.085 14.757 1.00 60.13 C ATOM 1280 CD2 TYR A 80 27.237 -22.434 14.731 1.00 32.42 C ATOM 1281 CE1 TYR A 80 26.114 -24.770 15.783 1.00 34.21 C ATOM 1282 CE2 TYR A 80 27.888 -23.121 15.758 1.00 4.45 C ATOM 1283 CZ TYR A 80 27.328 -24.288 16.285 1.00 1.20 C ATOM 1284 OH TYR A 80 27.979 -24.971 17.296 1.00 2.11 O ATOM 0 H TYR A 80 24.162 -19.882 12.070 1.00 5.12 H new ATOM 0 HA TYR A 80 23.618 -21.672 14.371 1.00 41.02 H new ATOM 0 HB2 TYR A 80 24.762 -22.867 12.485 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.030 -21.658 12.485 1.00 20.13 H new ATOM 0 HD1 TYR A 80 24.523 -24.457 14.372 1.00 60.13 H new ATOM 0 HD2 TYR A 80 27.670 -21.531 14.326 1.00 32.42 H new ATOM 0 HE1 TYR A 80 25.682 -25.672 16.190 1.00 34.21 H new ATOM 0 HE2 TYR A 80 28.825 -22.750 16.145 1.00 4.45 H new ATOM 0 HH TYR A 80 28.808 -24.502 17.527 1.00 2.11 H new ATOM 1294 N LEU A 81 25.031 -20.280 15.893 1.00 0.03 N ATOM 1295 CA LEU A 81 25.798 -19.417 16.784 1.00 31.14 C ATOM 1296 C LEU A 81 26.931 -20.196 17.409 1.00 52.43 C ATOM 1297 O LEU A 81 26.715 -21.239 18.026 1.00 25.33 O ATOM 1298 CB LEU A 81 24.911 -18.839 17.895 1.00 11.44 C ATOM 1299 CG LEU A 81 23.733 -18.080 17.285 1.00 63.32 C ATOM 1300 CD1 LEU A 81 22.823 -17.555 18.398 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.244 -16.900 16.454 1.00 62.13 C ATOM 0 H LEU A 81 24.441 -20.964 16.366 1.00 0.03 H new ATOM 0 HA LEU A 81 26.196 -18.594 16.191 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.544 -19.643 18.533 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.496 -18.171 18.527 1.00 11.44 H new ATOM 0 HG LEU A 81 23.172 -18.759 16.643 1.00 63.32 H new ATOM 0 HD11 LEU A 81 21.985 -17.015 17.958 1.00 74.33 H new ATOM 0 HD12 LEU A 81 22.447 -18.392 18.986 1.00 74.33 H new ATOM 0 HD13 LEU A 81 23.389 -16.884 19.044 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.398 -16.365 16.023 1.00 62.13 H new ATOM 0 HD22 LEU A 81 24.813 -16.225 17.093 1.00 62.13 H new ATOM 0 HD23 LEU A 81 24.885 -17.269 15.654 1.00 62.13 H new ATOM 1313 N LEU A 82 28.119 -19.634 17.334 1.00 41.20 N ATOM 1314 CA LEU A 82 29.297 -20.217 17.968 1.00 33.24 C ATOM 1315 C LEU A 82 29.223 -19.992 19.460 1.00 52.35 C ATOM 1316 O LEU A 82 28.468 -19.145 19.924 1.00 61.23 O ATOM 1317 CB LEU A 82 30.591 -19.588 17.425 1.00 34.41 C ATOM 1318 CG LEU A 82 30.761 -19.898 15.930 1.00 5.31 C ATOM 1319 CD1 LEU A 82 31.923 -19.072 15.376 1.00 4.22 C ATOM 1320 CD2 LEU A 82 31.072 -21.387 15.733 1.00 74.54 C ATOM 0 H LEU A 82 28.302 -18.763 16.835 1.00 41.20 H new ATOM 0 HA LEU A 82 29.313 -21.284 17.745 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.568 -18.509 17.577 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.448 -19.970 17.980 1.00 34.41 H new ATOM 0 HG LEU A 82 29.838 -19.650 15.407 1.00 5.31 H new ATOM 0 HD11 LEU A 82 32.049 -19.287 14.315 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.711 -18.011 15.508 1.00 4.22 H new ATOM 0 HD13 LEU A 82 32.838 -19.328 15.910 1.00 4.22 H new ATOM 0 HD21 LEU A 82 31.191 -21.596 14.670 1.00 74.54 H new ATOM 0 HD22 LEU A 82 31.994 -21.639 16.258 1.00 74.54 H new ATOM 0 HD23 LEU A 82 30.253 -21.986 16.131 1.00 74.54 H new ATOM 1332 N SER A 83 30.007 -20.735 20.210 1.00 72.52 N ATOM 1333 CA SER A 83 30.034 -20.578 21.654 1.00 14.32 C ATOM 1334 C SER A 83 30.553 -19.184 22.033 1.00 12.51 C ATOM 1335 O SER A 83 30.447 -18.763 23.188 1.00 43.32 O ATOM 1336 CB SER A 83 30.895 -21.664 22.285 1.00 65.22 C ATOM 1337 OG SER A 83 30.683 -22.892 21.586 1.00 63.53 O ATOM 0 H SER A 83 30.634 -21.453 19.848 1.00 72.52 H new ATOM 0 HA SER A 83 29.018 -20.678 22.036 1.00 14.32 H new ATOM 0 HB2 SER A 83 31.947 -21.383 22.241 1.00 65.22 H new ATOM 0 HB3 SER A 83 30.640 -21.782 23.338 1.00 65.22 H new ATOM 0 HG SER A 83 31.236 -23.596 21.986 1.00 63.53 H new ATOM 1343 N ALA A 84 31.110 -18.472 21.043 1.00 2.42 N ATOM 1344 CA ALA A 84 31.593 -17.102 21.248 1.00 12.40 C ATOM 1345 C ALA A 84 30.503 -16.240 21.878 1.00 24.54 C ATOM 1346 O ALA A 84 29.348 -16.656 21.967 1.00 65.31 O ATOM 1347 CB ALA A 84 32.052 -16.486 19.916 1.00 41.54 C ATOM 0 H ALA A 84 31.236 -18.823 20.094 1.00 2.42 H new ATOM 0 HA ALA A 84 32.445 -17.138 21.926 1.00 12.40 H new ATOM 0 HB1 ALA A 84 32.407 -15.470 20.088 1.00 41.54 H new ATOM 0 HB2 ALA A 84 32.860 -17.086 19.497 1.00 41.54 H new ATOM 0 HB3 ALA A 84 31.215 -16.465 19.218 1.00 41.54 H new ATOM 1353 N ARG A 85 30.855 -15.039 22.287 1.00 20.43 N ATOM 1354 CA ARG A 85 29.887 -14.142 22.911 1.00 2.21 C ATOM 1355 C ARG A 85 29.819 -12.838 22.148 1.00 70.24 C ATOM 1356 O ARG A 85 30.691 -12.543 21.322 1.00 2.14 O ATOM 1357 CB ARG A 85 30.284 -13.826 24.348 1.00 3.12 C ATOM 1358 CG ARG A 85 30.507 -15.108 25.152 1.00 73.00 C ATOM 1359 CD ARG A 85 30.684 -14.720 26.619 1.00 4.44 C ATOM 1360 NE ARG A 85 31.713 -13.683 26.740 1.00 10.23 N ATOM 1361 CZ ARG A 85 31.921 -13.019 27.875 1.00 63.44 C ATOM 1362 NH1 ARG A 85 31.265 -13.344 28.954 1.00 54.33 N ATOM 1363 NH2 ARG A 85 32.784 -12.049 27.899 1.00 55.53 N ATOM 0 H ARG A 85 31.797 -14.657 22.202 1.00 20.43 H new ATOM 0 HA ARG A 85 28.919 -14.643 22.899 1.00 2.21 H new ATOM 0 HB2 ARG A 85 31.194 -13.226 24.354 1.00 3.12 H new ATOM 0 HB3 ARG A 85 29.505 -13.227 24.821 1.00 3.12 H new ATOM 0 HG2 ARG A 85 29.659 -15.783 25.036 1.00 73.00 H new ATOM 0 HG3 ARG A 85 31.388 -15.637 24.789 1.00 73.00 H new ATOM 0 HD2 ARG A 85 29.740 -14.357 27.025 1.00 4.44 H new ATOM 0 HD3 ARG A 85 30.967 -15.595 27.204 1.00 4.44 H new ATOM 0 HE ARG A 85 32.289 -13.463 25.927 1.00 10.23 H new ATOM 0 HH11 ARG A 85 30.590 -14.109 28.930 1.00 54.33 H new ATOM 0 HH12 ARG A 85 31.426 -12.834 29.822 1.00 54.33 H new ATOM 0 HH21 ARG A 85 33.296 -11.801 27.053 1.00 55.53 H new ATOM 0 HH22 ARG A 85 32.950 -11.535 28.764 1.00 55.53 H new ATOM 1377 N ASN A 86 28.838 -12.021 22.481 1.00 72.42 N ATOM 1378 CA ASN A 86 28.728 -10.693 21.896 1.00 43.42 C ATOM 1379 C ASN A 86 29.767 -9.773 22.515 1.00 13.12 C ATOM 1380 O ASN A 86 30.326 -10.078 23.579 1.00 21.14 O ATOM 1381 CB ASN A 86 27.319 -10.112 22.098 1.00 53.32 C ATOM 1382 CG ASN A 86 27.133 -8.850 21.251 1.00 11.41 C ATOM 1383 OD1 ASN A 86 28.000 -8.509 20.441 1.00 50.23 O ATOM 1384 ND2 ASN A 86 26.061 -8.134 21.389 1.00 4.31 N ATOM 0 H ASN A 86 28.105 -12.251 23.152 1.00 72.42 H new ATOM 0 HA ASN A 86 28.907 -10.774 20.824 1.00 43.42 H new ATOM 0 HB2 ASN A 86 26.570 -10.855 21.824 1.00 53.32 H new ATOM 0 HB3 ASN A 86 27.164 -9.877 23.151 1.00 53.32 H new ATOM 0 HD21 ASN A 86 25.935 -7.291 20.829 1.00 4.31 H new ATOM 0 HD22 ASN A 86 25.343 -8.414 22.058 1.00 4.31 H new ATOM 1391 N THR A 87 30.012 -8.649 21.869 1.00 54.54 N ATOM 1392 CA THR A 87 30.968 -7.676 22.360 1.00 5.51 C ATOM 1393 C THR A 87 30.320 -6.293 22.410 1.00 42.40 C ATOM 1394 O THR A 87 29.205 -6.102 21.899 1.00 24.33 O ATOM 1395 CB THR A 87 32.249 -7.688 21.493 1.00 0.04 C ATOM 1396 OG1 THR A 87 33.348 -7.207 22.256 1.00 73.02 O ATOM 1397 CG2 THR A 87 32.063 -6.819 20.244 1.00 13.21 C ATOM 0 H THR A 87 29.557 -8.386 20.995 1.00 54.54 H new ATOM 0 HA THR A 87 31.267 -7.941 23.374 1.00 5.51 H new ATOM 0 HB THR A 87 32.447 -8.712 21.176 1.00 0.04 H new ATOM 0 HG1 THR A 87 34.158 -7.217 21.705 1.00 73.02 H new ATOM 0 HG21 THR A 87 32.975 -6.840 19.647 1.00 13.21 H new ATOM 0 HG22 THR A 87 31.233 -7.205 19.652 1.00 13.21 H new ATOM 0 HG23 THR A 87 31.849 -5.793 20.543 1.00 13.21 H new ATOM 1405 N SER A 88 30.928 -5.389 23.145 1.00 41.20 N ATOM 1406 CA SER A 88 30.338 -4.082 23.390 1.00 14.24 C ATOM 1407 C SER A 88 31.300 -2.967 22.997 1.00 53.12 C ATOM 1408 O SER A 88 32.513 -3.178 22.918 1.00 13.03 O ATOM 1409 CB SER A 88 29.962 -3.956 24.869 1.00 12.31 C ATOM 1410 OG SER A 88 29.482 -5.221 25.355 1.00 52.20 O ATOM 0 H SER A 88 31.836 -5.531 23.588 1.00 41.20 H new ATOM 0 HA SER A 88 29.441 -3.986 22.778 1.00 14.24 H new ATOM 0 HB2 SER A 88 30.828 -3.637 25.449 1.00 12.31 H new ATOM 0 HB3 SER A 88 29.195 -3.192 24.996 1.00 12.31 H new ATOM 0 HG SER A 88 29.244 -5.139 26.302 1.00 52.20 H new ATOM 1416 N LEU A 89 30.761 -1.772 22.809 1.00 11.45 N ATOM 1417 CA LEU A 89 31.554 -0.622 22.459 1.00 2.42 C ATOM 1418 C LEU A 89 32.590 -0.377 23.532 1.00 41.41 C ATOM 1419 O LEU A 89 33.767 -0.140 23.238 1.00 23.42 O ATOM 1420 CB LEU A 89 30.633 0.604 22.329 1.00 31.31 C ATOM 1421 CG LEU A 89 31.469 1.850 22.029 1.00 52.24 C ATOM 1422 CD1 LEU A 89 30.670 2.810 21.140 1.00 72.30 C ATOM 1423 CD2 LEU A 89 31.814 2.565 23.340 1.00 73.01 C ATOM 0 H LEU A 89 29.763 -1.581 22.896 1.00 11.45 H new ATOM 0 HA LEU A 89 32.061 -0.797 21.510 1.00 2.42 H new ATOM 0 HB2 LEU A 89 29.906 0.442 21.533 1.00 31.31 H new ATOM 0 HB3 LEU A 89 30.069 0.746 23.251 1.00 31.31 H new ATOM 0 HG LEU A 89 32.383 1.548 21.517 1.00 52.24 H new ATOM 0 HD11 LEU A 89 31.270 3.695 20.930 1.00 72.30 H new ATOM 0 HD12 LEU A 89 30.416 2.313 20.204 1.00 72.30 H new ATOM 0 HD13 LEU A 89 29.755 3.105 21.654 1.00 72.30 H new ATOM 0 HD21 LEU A 89 32.409 3.452 23.125 1.00 73.01 H new ATOM 0 HD22 LEU A 89 30.895 2.859 23.847 1.00 73.01 H new ATOM 0 HD23 LEU A 89 32.383 1.893 23.982 1.00 73.01 H new ATOM 1435 N ASN A 90 32.162 -0.486 24.770 1.00 22.24 N ATOM 1436 CA ASN A 90 33.050 -0.327 25.906 1.00 13.40 C ATOM 1437 C ASN A 90 33.020 -1.570 26.776 1.00 13.42 C ATOM 1438 O ASN A 90 34.068 -2.103 27.038 1.00 53.14 O ATOM 1439 CB ASN A 90 32.670 0.911 26.735 1.00 14.11 C ATOM 1440 CG ASN A 90 31.157 1.120 26.751 1.00 13.14 C ATOM 1441 OD1 ASN A 90 30.682 2.255 26.612 1.00 72.21 O ATOM 1442 ND2 ASN A 90 30.373 0.104 26.907 1.00 54.13 N ATOM 1443 OXT ASN A 90 31.946 -1.976 27.158 1.00 13.42 O ATOM 0 H ASN A 90 31.194 -0.686 25.020 1.00 22.24 H new ATOM 0 HA ASN A 90 34.062 -0.185 25.527 1.00 13.40 H new ATOM 0 HB2 ASN A 90 33.035 0.795 27.756 1.00 14.11 H new ATOM 0 HB3 ASN A 90 33.158 1.793 26.321 1.00 14.11 H new ATOM 0 HD21 ASN A 90 29.362 0.237 26.916 1.00 54.13 H new ATOM 0 HD22 ASN A 90 30.766 -0.830 27.021 1.00 54.13 H new TER 1450 ASN A 90