USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 523 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 12 CYS SG : rot 180:sc= -2.8! USER MOD Set 1.2: A 58 THR OG1 : rot 50:sc= 0.559 USER MOD Set 2.1: A 44 SER OG : rot -170:sc= 0.433 USER MOD Set 2.2: A 47 SER OG : rot -75:sc= 0.149 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= -3.88! (180deg=-7.59!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -7.29! C(o=-7.3!,f=-7.9!) USER MOD Single : A 7 SER OG : rot 75:sc= -3.42! USER MOD Single : A 10 MET CE :methyl 169:sc= 0 (180deg=-0.0336) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -150:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -3.13! C(o=-3.1!,f=-4.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0952) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 147:sc= -0.19 (180deg=-0.566) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 MET CE :methyl 166:sc= 0 (180deg=-0.25) USER MOD Single : A 50 THR OG1 : rot -83:sc= -1.4 USER MOD Single : A 54 THR OG1 : rot -103:sc= -2.8! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.021 (180deg=-0.219) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.928 -18.955 -21.696 1.00 0.00 N ATOM 2 CA MET A 1 -15.606 -19.012 -23.149 1.00 0.00 C ATOM 3 C MET A 1 -16.146 -17.760 -23.833 1.00 0.00 C ATOM 4 O MET A 1 -15.452 -17.123 -24.626 1.00 0.00 O ATOM 5 CB MET A 1 -16.247 -20.263 -23.760 1.00 0.00 C ATOM 6 CG MET A 1 -15.163 -21.147 -24.381 1.00 0.00 C ATOM 7 SD MET A 1 -15.930 -22.350 -25.495 1.00 0.00 S ATOM 8 CE MET A 1 -16.066 -23.710 -24.310 1.00 0.00 C ATOM 0 H1 MET A 1 -15.119 -19.309 -21.147 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.128 -17.972 -21.423 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.763 -19.544 -21.502 1.00 0.00 H new ATOM 0 HA MET A 1 -14.526 -19.059 -23.289 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.787 -20.818 -22.993 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.975 -19.977 -24.519 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.448 -20.533 -24.928 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.607 -21.663 -23.598 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.522 -24.572 -24.796 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.073 -23.980 -23.950 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.685 -23.399 -23.468 1.00 0.00 H new ATOM 20 N PRO A 2 -17.366 -17.401 -23.536 1.00 0.00 N ATOM 21 CA PRO A 2 -18.023 -16.197 -24.126 1.00 0.00 C ATOM 22 C PRO A 2 -17.284 -14.909 -23.772 1.00 0.00 C ATOM 23 O PRO A 2 -16.527 -14.862 -22.803 1.00 0.00 O ATOM 24 CB PRO A 2 -19.433 -16.198 -23.518 1.00 0.00 C ATOM 25 CG PRO A 2 -19.636 -17.562 -22.941 1.00 0.00 C ATOM 26 CD PRO A 2 -18.252 -18.108 -22.605 1.00 0.00 C ATOM 0 HA PRO A 2 -18.029 -16.236 -25.215 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.526 -15.432 -22.748 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.185 -15.980 -24.277 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -20.260 -17.515 -22.049 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -20.145 -18.211 -23.653 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.984 -17.909 -21.567 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.202 -19.188 -22.746 1.00 0.00 H new ATOM 34 N LYS A 3 -17.513 -13.864 -24.562 1.00 0.00 N ATOM 35 CA LYS A 3 -16.867 -12.578 -24.320 1.00 0.00 C ATOM 36 C LYS A 3 -17.905 -11.464 -24.260 1.00 0.00 C ATOM 37 O LYS A 3 -18.897 -11.488 -24.988 1.00 0.00 O ATOM 38 CB LYS A 3 -15.861 -12.279 -25.435 1.00 0.00 C ATOM 39 CG LYS A 3 -16.613 -11.905 -26.715 1.00 0.00 C ATOM 40 CD LYS A 3 -15.615 -11.691 -27.854 1.00 0.00 C ATOM 41 CE LYS A 3 -15.536 -12.957 -28.709 1.00 0.00 C ATOM 42 NZ LYS A 3 -14.328 -12.894 -29.580 1.00 0.00 N ATOM 0 H LYS A 3 -18.136 -13.881 -25.369 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.345 -12.628 -23.364 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.203 -11.463 -25.136 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.230 -13.150 -25.613 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.317 -12.694 -26.979 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.196 -10.998 -26.554 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.923 -10.844 -28.467 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.632 -11.451 -27.450 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.491 -13.838 -28.069 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.433 -13.053 -29.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.274 -13.755 -30.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.390 -12.061 -30.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.476 -12.822 -28.988 1.00 0.00 H new ATOM 56 N HIS A 4 -17.671 -10.487 -23.389 1.00 0.00 N ATOM 57 CA HIS A 4 -18.599 -9.372 -23.251 1.00 0.00 C ATOM 58 C HIS A 4 -17.913 -8.060 -23.612 1.00 0.00 C ATOM 59 O HIS A 4 -16.749 -7.844 -23.276 1.00 0.00 O ATOM 60 CB HIS A 4 -19.123 -9.302 -21.816 1.00 0.00 C ATOM 61 CG HIS A 4 -20.523 -8.751 -21.823 1.00 0.00 C ATOM 62 ND1 HIS A 4 -21.455 -9.115 -22.781 1.00 0.00 N ATOM 63 CD2 HIS A 4 -21.162 -7.860 -20.995 1.00 0.00 C ATOM 64 CE1 HIS A 4 -22.595 -8.452 -22.510 1.00 0.00 C ATOM 65 NE2 HIS A 4 -22.470 -7.673 -21.431 1.00 0.00 N ATOM 0 H HIS A 4 -16.857 -10.445 -22.776 1.00 0.00 H new ATOM 0 HA HIS A 4 -19.435 -9.531 -23.932 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -19.113 -10.294 -21.364 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -18.474 -8.669 -21.210 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -20.717 -7.378 -20.137 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -23.500 -8.539 -23.093 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -23.181 -7.071 -21.016 1.00 0.00 H new ATOM 73 N GLU A 5 -18.641 -7.191 -24.304 1.00 0.00 N ATOM 74 CA GLU A 5 -18.089 -5.906 -24.712 1.00 0.00 C ATOM 75 C GLU A 5 -18.830 -4.758 -24.035 1.00 0.00 C ATOM 76 O GLU A 5 -20.059 -4.698 -24.061 1.00 0.00 O ATOM 77 CB GLU A 5 -18.193 -5.752 -26.230 1.00 0.00 C ATOM 78 CG GLU A 5 -17.256 -6.752 -26.911 1.00 0.00 C ATOM 79 CD GLU A 5 -18.002 -7.499 -28.012 1.00 0.00 C ATOM 80 OE1 GLU A 5 -18.545 -6.841 -28.884 1.00 0.00 O ATOM 81 OE2 GLU A 5 -18.020 -8.717 -27.966 1.00 0.00 O ATOM 0 H GLU A 5 -19.606 -7.351 -24.592 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.042 -5.874 -24.411 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.220 -5.921 -26.554 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.931 -4.735 -26.522 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.397 -6.230 -27.332 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.870 -7.460 -26.177 1.00 0.00 H new ATOM 88 N PHE A 6 -18.074 -3.846 -23.436 1.00 0.00 N ATOM 89 CA PHE A 6 -18.669 -2.698 -22.762 1.00 0.00 C ATOM 90 C PHE A 6 -18.071 -1.402 -23.307 1.00 0.00 C ATOM 91 O PHE A 6 -16.869 -1.320 -23.556 1.00 0.00 O ATOM 92 CB PHE A 6 -18.423 -2.794 -21.252 1.00 0.00 C ATOM 93 CG PHE A 6 -19.715 -3.143 -20.551 1.00 0.00 C ATOM 94 CD1 PHE A 6 -20.450 -4.265 -20.952 1.00 0.00 C ATOM 95 CD2 PHE A 6 -20.173 -2.346 -19.497 1.00 0.00 C ATOM 96 CE1 PHE A 6 -21.647 -4.588 -20.298 1.00 0.00 C ATOM 97 CE2 PHE A 6 -21.368 -2.669 -18.842 1.00 0.00 C ATOM 98 CZ PHE A 6 -22.105 -3.789 -19.243 1.00 0.00 C ATOM 0 H PHE A 6 -17.055 -3.878 -23.403 1.00 0.00 H new ATOM 0 HA PHE A 6 -19.743 -2.696 -22.948 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -17.668 -3.552 -21.044 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -18.037 -1.847 -20.875 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -20.095 -4.881 -21.765 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -19.605 -1.481 -19.188 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -22.216 -5.452 -20.608 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -21.721 -2.054 -18.027 1.00 0.00 H new ATOM 0 HZ PHE A 6 -23.027 -4.037 -18.739 1.00 0.00 H new ATOM 108 N SER A 7 -18.918 -0.396 -23.498 1.00 0.00 N ATOM 109 CA SER A 7 -18.458 0.887 -24.022 1.00 0.00 C ATOM 110 C SER A 7 -18.462 1.952 -22.932 1.00 0.00 C ATOM 111 O SER A 7 -19.514 2.304 -22.399 1.00 0.00 O ATOM 112 CB SER A 7 -19.361 1.331 -25.173 1.00 0.00 C ATOM 113 OG SER A 7 -19.984 0.190 -25.747 1.00 0.00 O ATOM 0 H SER A 7 -19.918 -0.442 -23.300 1.00 0.00 H new ATOM 0 HA SER A 7 -17.437 0.763 -24.383 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.116 2.028 -24.810 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.776 1.858 -25.927 1.00 0.00 H new ATOM 0 HG SER A 7 -20.696 -0.128 -25.153 1.00 0.00 H new ATOM 119 N VAL A 8 -17.278 2.458 -22.600 1.00 0.00 N ATOM 120 CA VAL A 8 -17.161 3.481 -21.567 1.00 0.00 C ATOM 121 C VAL A 8 -16.315 4.654 -22.050 1.00 0.00 C ATOM 122 O VAL A 8 -15.170 4.478 -22.466 1.00 0.00 O ATOM 123 CB VAL A 8 -16.531 2.880 -20.312 1.00 0.00 C ATOM 124 CG1 VAL A 8 -15.263 2.113 -20.694 1.00 0.00 C ATOM 125 CG2 VAL A 8 -16.173 4.001 -19.333 1.00 0.00 C ATOM 0 H VAL A 8 -16.394 2.180 -23.027 1.00 0.00 H new ATOM 0 HA VAL A 8 -18.161 3.848 -21.338 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.240 2.199 -19.841 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.813 1.684 -19.798 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.517 1.314 -21.391 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.554 2.794 -21.165 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.723 3.572 -18.437 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.465 4.683 -19.804 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.076 4.547 -19.060 1.00 0.00 H new ATOM 135 N ASP A 9 -16.882 5.856 -21.978 1.00 0.00 N ATOM 136 CA ASP A 9 -16.164 7.053 -22.397 1.00 0.00 C ATOM 137 C ASP A 9 -15.186 7.475 -21.305 1.00 0.00 C ATOM 138 O ASP A 9 -15.587 7.748 -20.174 1.00 0.00 O ATOM 139 CB ASP A 9 -17.150 8.190 -22.675 1.00 0.00 C ATOM 140 CG ASP A 9 -16.512 9.217 -23.606 1.00 0.00 C ATOM 141 OD1 ASP A 9 -15.328 9.095 -23.868 1.00 0.00 O ATOM 142 OD2 ASP A 9 -17.219 10.111 -24.043 1.00 0.00 O ATOM 0 H ASP A 9 -17.828 6.025 -21.636 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.613 6.833 -23.311 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.059 7.792 -23.127 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.442 8.667 -21.739 1.00 0.00 H new ATOM 147 N MET A 10 -13.903 7.512 -21.643 1.00 0.00 N ATOM 148 CA MET A 10 -12.885 7.886 -20.668 1.00 0.00 C ATOM 149 C MET A 10 -13.031 9.347 -20.260 1.00 0.00 C ATOM 150 O MET A 10 -12.874 10.252 -21.078 1.00 0.00 O ATOM 151 CB MET A 10 -11.491 7.659 -21.256 1.00 0.00 C ATOM 152 CG MET A 10 -11.346 6.197 -21.681 1.00 0.00 C ATOM 153 SD MET A 10 -10.748 5.219 -20.279 1.00 0.00 S ATOM 154 CE MET A 10 -11.875 3.817 -20.483 1.00 0.00 C ATOM 0 H MET A 10 -13.545 7.291 -22.572 1.00 0.00 H new ATOM 0 HA MET A 10 -13.017 7.262 -19.784 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.335 8.315 -22.113 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.729 7.911 -20.519 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.305 5.810 -22.026 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.651 6.117 -22.517 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.556 2.997 -19.840 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.886 4.120 -20.210 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.863 3.489 -21.522 1.00 0.00 H new ATOM 164 N THR A 11 -13.316 9.564 -18.981 1.00 0.00 N ATOM 165 CA THR A 11 -13.467 10.913 -18.455 1.00 0.00 C ATOM 166 C THR A 11 -12.303 11.245 -17.526 1.00 0.00 C ATOM 167 O THR A 11 -11.860 12.391 -17.447 1.00 0.00 O ATOM 168 CB THR A 11 -14.787 11.038 -17.692 1.00 0.00 C ATOM 169 OG1 THR A 11 -15.108 12.411 -17.523 1.00 0.00 O ATOM 170 CG2 THR A 11 -14.648 10.372 -16.324 1.00 0.00 C ATOM 0 H THR A 11 -13.447 8.824 -18.291 1.00 0.00 H new ATOM 0 HA THR A 11 -13.471 11.614 -19.289 1.00 0.00 H new ATOM 0 HB THR A 11 -15.581 10.548 -18.255 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.954 12.491 -17.036 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.588 10.460 -15.779 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.403 9.318 -16.456 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.854 10.862 -15.760 1.00 0.00 H new ATOM 178 N CYS A 12 -11.816 10.225 -16.823 1.00 0.00 N ATOM 179 CA CYS A 12 -10.703 10.401 -15.896 1.00 0.00 C ATOM 180 C CYS A 12 -9.424 9.816 -16.478 1.00 0.00 C ATOM 181 O CYS A 12 -8.607 9.263 -15.748 1.00 0.00 O ATOM 182 CB CYS A 12 -11.020 9.717 -14.564 1.00 0.00 C ATOM 183 SG CYS A 12 -12.457 10.511 -13.803 1.00 0.00 S ATOM 0 H CYS A 12 -12.174 9.271 -16.878 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.558 11.469 -15.731 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.220 8.658 -14.726 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.160 9.781 -13.897 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.727 9.928 -12.673 1.00 0.00 H new ATOM 189 N GLY A 13 -9.260 9.946 -17.795 1.00 0.00 N ATOM 190 CA GLY A 13 -8.071 9.427 -18.469 1.00 0.00 C ATOM 191 C GLY A 13 -6.969 9.118 -17.463 1.00 0.00 C ATOM 192 O GLY A 13 -6.422 8.016 -17.441 1.00 0.00 O ATOM 0 H GLY A 13 -9.931 10.403 -18.412 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.327 8.524 -19.023 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.712 10.156 -19.196 1.00 0.00 H new ATOM 196 N GLY A 14 -6.660 10.101 -16.623 1.00 0.00 N ATOM 197 CA GLY A 14 -5.634 9.932 -15.603 1.00 0.00 C ATOM 198 C GLY A 14 -6.050 8.884 -14.574 1.00 0.00 C ATOM 199 O GLY A 14 -5.318 7.928 -14.318 1.00 0.00 O ATOM 0 H GLY A 14 -7.104 11.019 -16.629 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.696 9.634 -16.072 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.452 10.884 -15.104 1.00 0.00 H new ATOM 203 N CYS A 15 -7.226 9.076 -13.979 1.00 0.00 N ATOM 204 CA CYS A 15 -7.725 8.146 -12.969 1.00 0.00 C ATOM 205 C CYS A 15 -8.474 6.977 -13.608 1.00 0.00 C ATOM 206 O CYS A 15 -8.365 5.840 -13.149 1.00 0.00 O ATOM 207 CB CYS A 15 -8.652 8.881 -12.000 1.00 0.00 C ATOM 208 SG CYS A 15 -8.161 8.504 -10.298 1.00 0.00 S ATOM 0 H CYS A 15 -7.847 9.861 -14.177 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.867 7.746 -12.428 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.602 9.956 -12.175 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.686 8.579 -12.168 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.946 9.129 -9.471 1.00 0.00 H new ATOM 214 N ALA A 16 -9.239 7.256 -14.660 1.00 0.00 N ATOM 215 CA ALA A 16 -9.998 6.204 -15.331 1.00 0.00 C ATOM 216 C ALA A 16 -9.080 5.056 -15.739 1.00 0.00 C ATOM 217 O ALA A 16 -9.488 3.895 -15.740 1.00 0.00 O ATOM 218 CB ALA A 16 -10.691 6.765 -16.576 1.00 0.00 C ATOM 0 H ALA A 16 -9.350 8.187 -15.062 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.748 5.829 -14.635 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.254 5.972 -17.068 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.371 7.565 -16.284 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.942 7.158 -17.263 1.00 0.00 H new ATOM 224 N GLU A 17 -7.837 5.382 -16.081 1.00 0.00 N ATOM 225 CA GLU A 17 -6.878 4.359 -16.482 1.00 0.00 C ATOM 226 C GLU A 17 -6.575 3.427 -15.311 1.00 0.00 C ATOM 227 O GLU A 17 -6.526 2.208 -15.473 1.00 0.00 O ATOM 228 CB GLU A 17 -5.582 5.013 -16.966 1.00 0.00 C ATOM 229 CG GLU A 17 -4.629 3.933 -17.483 1.00 0.00 C ATOM 230 CD GLU A 17 -3.431 4.579 -18.172 1.00 0.00 C ATOM 231 OE1 GLU A 17 -3.642 5.278 -19.150 1.00 0.00 O ATOM 232 OE2 GLU A 17 -2.322 4.367 -17.711 1.00 0.00 O ATOM 0 H GLU A 17 -7.474 6.335 -16.089 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.313 3.778 -17.295 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.798 5.732 -17.757 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.115 5.566 -16.151 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.290 3.309 -16.656 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.152 3.280 -18.182 1.00 0.00 H new ATOM 239 N ALA A 18 -6.379 4.011 -14.132 1.00 0.00 N ATOM 240 CA ALA A 18 -6.088 3.223 -12.939 1.00 0.00 C ATOM 241 C ALA A 18 -7.339 2.487 -12.473 1.00 0.00 C ATOM 242 O ALA A 18 -7.256 1.417 -11.870 1.00 0.00 O ATOM 243 CB ALA A 18 -5.578 4.135 -11.819 1.00 0.00 C ATOM 0 H ALA A 18 -6.416 5.019 -13.978 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.318 2.492 -13.185 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.364 3.538 -10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.668 4.639 -12.146 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.339 4.878 -11.580 1.00 0.00 H new ATOM 249 N VAL A 19 -8.497 3.070 -12.763 1.00 0.00 N ATOM 250 CA VAL A 19 -9.771 2.469 -12.381 1.00 0.00 C ATOM 251 C VAL A 19 -9.904 1.076 -12.984 1.00 0.00 C ATOM 252 O VAL A 19 -10.468 0.172 -12.370 1.00 0.00 O ATOM 253 CB VAL A 19 -10.929 3.347 -12.852 1.00 0.00 C ATOM 254 CG1 VAL A 19 -12.221 2.527 -12.841 1.00 0.00 C ATOM 255 CG2 VAL A 19 -11.074 4.542 -11.908 1.00 0.00 C ATOM 0 H VAL A 19 -8.581 3.957 -13.260 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.802 2.388 -11.294 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.733 3.704 -13.863 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.050 3.150 -13.177 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.115 1.673 -13.510 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.419 2.174 -11.829 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.900 5.171 -12.241 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.274 4.185 -10.898 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.151 5.123 -11.912 1.00 0.00 H new ATOM 265 N SER A 20 -9.388 0.917 -14.198 1.00 0.00 N ATOM 266 CA SER A 20 -9.460 -0.365 -14.889 1.00 0.00 C ATOM 267 C SER A 20 -8.852 -1.469 -14.028 1.00 0.00 C ATOM 268 O SER A 20 -9.295 -2.614 -14.070 1.00 0.00 O ATOM 269 CB SER A 20 -8.714 -0.280 -16.220 1.00 0.00 C ATOM 270 OG SER A 20 -9.395 -1.063 -17.191 1.00 0.00 O ATOM 0 H SER A 20 -8.918 1.655 -14.721 1.00 0.00 H new ATOM 0 HA SER A 20 -10.507 -0.602 -15.076 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.653 0.757 -16.550 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.691 -0.637 -16.100 1.00 0.00 H new ATOM 0 HG SER A 20 -8.750 -1.408 -17.844 1.00 0.00 H new ATOM 276 N ARG A 21 -7.843 -1.117 -13.239 1.00 0.00 N ATOM 277 CA ARG A 21 -7.200 -2.093 -12.366 1.00 0.00 C ATOM 278 C ARG A 21 -8.242 -2.749 -11.461 1.00 0.00 C ATOM 279 O ARG A 21 -8.183 -3.948 -11.189 1.00 0.00 O ATOM 280 CB ARG A 21 -6.132 -1.413 -11.504 1.00 0.00 C ATOM 281 CG ARG A 21 -5.198 -0.585 -12.391 1.00 0.00 C ATOM 282 CD ARG A 21 -4.253 0.236 -11.511 1.00 0.00 C ATOM 283 NE ARG A 21 -5.004 0.920 -10.463 1.00 0.00 N ATOM 284 CZ ARG A 21 -4.479 1.117 -9.257 1.00 0.00 C ATOM 285 NH1 ARG A 21 -3.276 0.687 -8.989 1.00 0.00 N ATOM 286 NH2 ARG A 21 -5.168 1.739 -8.341 1.00 0.00 N ATOM 0 H ARG A 21 -7.456 -0.175 -13.185 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.726 -2.854 -12.986 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.606 -0.772 -10.761 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.560 -2.164 -10.959 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.624 -1.241 -13.045 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.780 0.076 -13.033 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.503 -0.416 -11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.719 0.965 -12.120 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.948 1.253 -10.659 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.737 0.199 -9.705 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.875 0.839 -8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.109 2.074 -8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.766 1.891 -7.416 1.00 0.00 H new ATOM 300 N VAL A 22 -9.190 -1.941 -10.996 1.00 0.00 N ATOM 301 CA VAL A 22 -10.252 -2.420 -10.114 1.00 0.00 C ATOM 302 C VAL A 22 -11.046 -3.560 -10.753 1.00 0.00 C ATOM 303 O VAL A 22 -11.734 -4.306 -10.058 1.00 0.00 O ATOM 304 CB VAL A 22 -11.205 -1.270 -9.783 1.00 0.00 C ATOM 305 CG1 VAL A 22 -12.300 -1.770 -8.840 1.00 0.00 C ATOM 306 CG2 VAL A 22 -10.428 -0.141 -9.104 1.00 0.00 C ATOM 0 H VAL A 22 -9.245 -0.947 -11.216 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.783 -2.797 -9.205 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.657 -0.899 -10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.979 -0.951 -8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.856 -2.575 -9.322 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.847 -2.142 -7.921 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.108 0.678 -8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.975 -0.513 -8.185 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.647 0.217 -9.774 1.00 0.00 H new ATOM 316 N LEU A 23 -10.967 -3.680 -12.074 1.00 0.00 N ATOM 317 CA LEU A 23 -11.709 -4.726 -12.777 1.00 0.00 C ATOM 318 C LEU A 23 -11.313 -6.111 -12.272 1.00 0.00 C ATOM 319 O LEU A 23 -12.142 -7.018 -12.221 1.00 0.00 O ATOM 320 CB LEU A 23 -11.451 -4.638 -14.283 1.00 0.00 C ATOM 321 CG LEU A 23 -12.715 -5.038 -15.049 1.00 0.00 C ATOM 322 CD1 LEU A 23 -13.218 -6.393 -14.549 1.00 0.00 C ATOM 323 CD2 LEU A 23 -13.798 -3.981 -14.829 1.00 0.00 C ATOM 0 H LEU A 23 -10.406 -3.076 -12.675 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.770 -4.573 -12.581 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.157 -3.624 -14.552 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.625 -5.293 -14.559 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.483 -5.111 -16.112 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.117 -6.672 -15.098 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.448 -7.148 -14.707 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.448 -6.326 -13.486 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.699 -4.264 -15.374 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -14.025 -3.908 -13.765 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.443 -3.016 -15.191 1.00 0.00 H new ATOM 335 N ASN A 24 -10.048 -6.272 -11.902 1.00 0.00 N ATOM 336 CA ASN A 24 -9.572 -7.558 -11.403 1.00 0.00 C ATOM 337 C ASN A 24 -10.341 -7.971 -10.149 1.00 0.00 C ATOM 338 O ASN A 24 -10.707 -9.135 -9.990 1.00 0.00 O ATOM 339 CB ASN A 24 -8.079 -7.475 -11.080 1.00 0.00 C ATOM 340 CG ASN A 24 -7.376 -6.568 -12.084 1.00 0.00 C ATOM 341 OD1 ASN A 24 -6.681 -5.629 -11.693 1.00 0.00 O ATOM 342 ND2 ASN A 24 -7.515 -6.794 -13.361 1.00 0.00 N ATOM 0 H ASN A 24 -9.340 -5.538 -11.937 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.737 -8.306 -12.179 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.938 -7.090 -10.070 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.637 -8.471 -11.106 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.048 -6.192 -14.039 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.091 -7.572 -13.681 1.00 0.00 H new ATOM 349 N LYS A 25 -10.572 -7.011 -9.258 1.00 0.00 N ATOM 350 CA LYS A 25 -11.288 -7.286 -8.015 1.00 0.00 C ATOM 351 C LYS A 25 -12.752 -7.632 -8.282 1.00 0.00 C ATOM 352 O LYS A 25 -13.291 -8.570 -7.696 1.00 0.00 O ATOM 353 CB LYS A 25 -11.216 -6.064 -7.097 1.00 0.00 C ATOM 354 CG LYS A 25 -9.809 -5.940 -6.509 1.00 0.00 C ATOM 355 CD LYS A 25 -9.867 -5.140 -5.206 1.00 0.00 C ATOM 356 CE LYS A 25 -8.552 -4.385 -5.009 1.00 0.00 C ATOM 357 NZ LYS A 25 -8.675 -3.471 -3.839 1.00 0.00 N ATOM 0 H LYS A 25 -10.276 -6.041 -9.372 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.814 -8.142 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.467 -5.163 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.948 -6.156 -6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.393 -6.930 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.148 -5.447 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.700 -4.438 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.043 -5.809 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.736 -5.090 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.310 -3.815 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.781 -2.957 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.443 -2.791 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.887 -4.026 -2.986 1.00 0.00 H new ATOM 371 N LEU A 26 -13.394 -6.862 -9.156 1.00 0.00 N ATOM 372 CA LEU A 26 -14.801 -7.094 -9.471 1.00 0.00 C ATOM 373 C LEU A 26 -14.967 -8.246 -10.459 1.00 0.00 C ATOM 374 O LEU A 26 -15.883 -9.057 -10.331 1.00 0.00 O ATOM 375 CB LEU A 26 -15.413 -5.822 -10.067 1.00 0.00 C ATOM 376 CG LEU A 26 -16.650 -5.414 -9.266 1.00 0.00 C ATOM 377 CD1 LEU A 26 -17.592 -6.612 -9.131 1.00 0.00 C ATOM 378 CD2 LEU A 26 -16.222 -4.945 -7.873 1.00 0.00 C ATOM 0 H LEU A 26 -12.969 -6.080 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.314 -7.358 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.680 -5.016 -10.056 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.684 -5.992 -11.109 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.165 -4.604 -9.783 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.473 -6.319 -8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.897 -6.948 -10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.078 -7.423 -8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.103 -4.654 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -15.707 -5.756 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.551 -4.091 -7.967 1.00 0.00 H new ATOM 390 N GLY A 27 -14.083 -8.307 -11.449 1.00 0.00 N ATOM 391 CA GLY A 27 -14.155 -9.359 -12.457 1.00 0.00 C ATOM 392 C GLY A 27 -13.225 -10.520 -12.122 1.00 0.00 C ATOM 393 O GLY A 27 -13.664 -11.662 -11.998 1.00 0.00 O ATOM 0 H GLY A 27 -13.315 -7.647 -11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.180 -9.723 -12.532 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.890 -8.949 -13.432 1.00 0.00 H new ATOM 397 N GLY A 28 -11.937 -10.223 -11.988 1.00 0.00 N ATOM 398 CA GLY A 28 -10.957 -11.259 -11.681 1.00 0.00 C ATOM 399 C GLY A 28 -10.765 -12.180 -12.880 1.00 0.00 C ATOM 400 O GLY A 28 -10.169 -13.251 -12.768 1.00 0.00 O ATOM 0 H GLY A 28 -11.550 -9.284 -12.086 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.006 -10.800 -11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.288 -11.838 -10.819 1.00 0.00 H new ATOM 404 N VAL A 29 -11.280 -11.750 -14.029 1.00 0.00 N ATOM 405 CA VAL A 29 -11.168 -12.535 -15.253 1.00 0.00 C ATOM 406 C VAL A 29 -10.401 -11.761 -16.316 1.00 0.00 C ATOM 407 O VAL A 29 -9.875 -10.680 -16.059 1.00 0.00 O ATOM 408 CB VAL A 29 -12.563 -12.888 -15.776 1.00 0.00 C ATOM 409 CG1 VAL A 29 -12.673 -14.404 -15.961 1.00 0.00 C ATOM 410 CG2 VAL A 29 -13.616 -12.422 -14.769 1.00 0.00 C ATOM 0 H VAL A 29 -11.777 -10.866 -14.137 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.624 -13.452 -15.028 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.727 -12.393 -16.733 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.666 -14.654 -16.333 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.922 -14.739 -16.677 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.509 -14.900 -15.004 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.610 -12.672 -15.140 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.450 -12.918 -13.813 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.540 -11.343 -14.636 1.00 0.00 H new ATOM 420 N LYS A 30 -10.341 -12.334 -17.509 1.00 0.00 N ATOM 421 CA LYS A 30 -9.633 -11.706 -18.618 1.00 0.00 C ATOM 422 C LYS A 30 -10.210 -10.327 -18.920 1.00 0.00 C ATOM 423 O LYS A 30 -11.415 -10.177 -19.121 1.00 0.00 O ATOM 424 CB LYS A 30 -9.733 -12.583 -19.867 1.00 0.00 C ATOM 425 CG LYS A 30 -8.422 -13.344 -20.072 1.00 0.00 C ATOM 426 CD LYS A 30 -8.402 -13.960 -21.473 1.00 0.00 C ATOM 427 CE LYS A 30 -6.981 -14.407 -21.815 1.00 0.00 C ATOM 428 NZ LYS A 30 -6.165 -13.222 -22.203 1.00 0.00 N ATOM 0 H LYS A 30 -10.772 -13.230 -17.735 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.587 -11.594 -18.332 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.560 -13.286 -19.764 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.946 -11.966 -20.740 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.575 -12.670 -19.948 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.321 -14.125 -19.318 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.082 -14.810 -21.517 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.752 -13.233 -22.206 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.530 -14.907 -20.958 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.002 -15.130 -22.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.285 -13.540 -22.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.705 -12.632 -22.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.935 -12.666 -21.355 1.00 0.00 H new ATOM 442 N TYR A 31 -9.338 -9.328 -18.957 1.00 0.00 N ATOM 443 CA TYR A 31 -9.762 -7.963 -19.245 1.00 0.00 C ATOM 444 C TYR A 31 -8.765 -7.286 -20.181 1.00 0.00 C ATOM 445 O TYR A 31 -7.607 -7.699 -20.272 1.00 0.00 O ATOM 446 CB TYR A 31 -9.882 -7.159 -17.949 1.00 0.00 C ATOM 447 CG TYR A 31 -8.506 -6.897 -17.386 1.00 0.00 C ATOM 448 CD1 TYR A 31 -7.830 -7.907 -16.693 1.00 0.00 C ATOM 449 CD2 TYR A 31 -7.907 -5.642 -17.555 1.00 0.00 C ATOM 450 CE1 TYR A 31 -6.555 -7.664 -16.169 1.00 0.00 C ATOM 451 CE2 TYR A 31 -6.632 -5.399 -17.031 1.00 0.00 C ATOM 452 CZ TYR A 31 -5.956 -6.410 -16.338 1.00 0.00 C ATOM 453 OH TYR A 31 -4.699 -6.170 -15.820 1.00 0.00 O ATOM 0 H TYR A 31 -8.337 -9.436 -18.792 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.737 -8.000 -19.731 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.393 -6.216 -18.141 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.484 -7.706 -17.224 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.292 -8.874 -16.562 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.429 -4.862 -18.090 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.033 -8.444 -15.634 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.170 -4.432 -17.161 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.430 -5.251 -16.027 1.00 0.00 H new ATOM 463 N ASP A 32 -9.219 -6.250 -20.877 1.00 0.00 N ATOM 464 CA ASP A 32 -8.357 -5.529 -21.804 1.00 0.00 C ATOM 465 C ASP A 32 -8.928 -4.144 -22.088 1.00 0.00 C ATOM 466 O ASP A 32 -10.088 -4.008 -22.474 1.00 0.00 O ATOM 467 CB ASP A 32 -8.230 -6.308 -23.115 1.00 0.00 C ATOM 468 CG ASP A 32 -7.143 -7.370 -22.989 1.00 0.00 C ATOM 469 OD1 ASP A 32 -5.990 -7.040 -23.219 1.00 0.00 O ATOM 470 OD2 ASP A 32 -7.477 -8.498 -22.668 1.00 0.00 O ATOM 0 H ASP A 32 -10.173 -5.893 -20.817 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.372 -5.422 -21.350 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.182 -6.778 -23.362 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.990 -5.626 -23.931 1.00 0.00 H new ATOM 475 N ILE A 33 -8.107 -3.119 -21.889 1.00 0.00 N ATOM 476 CA ILE A 33 -8.548 -1.750 -22.123 1.00 0.00 C ATOM 477 C ILE A 33 -7.739 -1.106 -23.245 1.00 0.00 C ATOM 478 O ILE A 33 -6.509 -1.096 -23.210 1.00 0.00 O ATOM 479 CB ILE A 33 -8.387 -0.930 -20.843 1.00 0.00 C ATOM 480 CG1 ILE A 33 -8.858 0.503 -21.100 1.00 0.00 C ATOM 481 CG2 ILE A 33 -6.916 -0.918 -20.427 1.00 0.00 C ATOM 482 CD1 ILE A 33 -8.732 1.328 -19.816 1.00 0.00 C ATOM 0 H ILE A 33 -7.142 -3.208 -21.570 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.597 -1.771 -22.417 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.984 -1.373 -20.046 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.262 0.955 -21.893 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.893 0.500 -21.441 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.801 -0.333 -19.514 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.580 -1.939 -20.248 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.317 -0.473 -21.221 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.069 2.348 -20.004 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.347 0.881 -19.035 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.691 1.343 -19.494 1.00 0.00 H new ATOM 494 N ASP A 34 -8.440 -0.564 -24.238 1.00 0.00 N ATOM 495 CA ASP A 34 -7.775 0.086 -25.362 1.00 0.00 C ATOM 496 C ASP A 34 -7.985 1.596 -25.299 1.00 0.00 C ATOM 497 O ASP A 34 -9.040 2.104 -25.673 1.00 0.00 O ATOM 498 CB ASP A 34 -8.327 -0.453 -26.682 1.00 0.00 C ATOM 499 CG ASP A 34 -7.192 -0.638 -27.683 1.00 0.00 C ATOM 500 OD1 ASP A 34 -6.112 -1.020 -27.261 1.00 0.00 O ATOM 501 OD2 ASP A 34 -7.419 -0.395 -28.857 1.00 0.00 O ATOM 0 H ASP A 34 -9.459 -0.562 -24.287 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.708 -0.128 -25.304 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.833 -1.404 -26.513 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.069 0.236 -27.084 1.00 0.00 H new ATOM 506 N LEU A 35 -6.971 2.304 -24.813 1.00 0.00 N ATOM 507 CA LEU A 35 -7.049 3.755 -24.690 1.00 0.00 C ATOM 508 C LEU A 35 -7.253 4.421 -26.052 1.00 0.00 C ATOM 509 O LEU A 35 -8.154 5.243 -26.219 1.00 0.00 O ATOM 510 CB LEU A 35 -5.769 4.288 -24.037 1.00 0.00 C ATOM 511 CG LEU A 35 -6.106 4.939 -22.693 1.00 0.00 C ATOM 512 CD1 LEU A 35 -4.820 5.163 -21.896 1.00 0.00 C ATOM 513 CD2 LEU A 35 -6.793 6.284 -22.938 1.00 0.00 C ATOM 0 H LEU A 35 -6.089 1.899 -24.499 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.909 3.996 -24.065 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.059 3.474 -23.890 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.290 5.014 -24.694 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.772 4.285 -22.130 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.061 5.627 -20.939 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.328 4.206 -21.722 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.153 5.817 -22.458 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.034 6.749 -21.982 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.125 6.936 -23.501 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.710 6.126 -23.506 1.00 0.00 H new ATOM 525 N PRO A 36 -6.433 4.093 -27.017 1.00 0.00 N ATOM 526 CA PRO A 36 -6.517 4.683 -28.389 1.00 0.00 C ATOM 527 C PRO A 36 -7.883 4.482 -29.040 1.00 0.00 C ATOM 528 O PRO A 36 -8.294 5.270 -29.890 1.00 0.00 O ATOM 529 CB PRO A 36 -5.431 3.948 -29.182 1.00 0.00 C ATOM 530 CG PRO A 36 -4.502 3.377 -28.164 1.00 0.00 C ATOM 531 CD PRO A 36 -5.333 3.124 -26.908 1.00 0.00 C ATOM 0 HA PRO A 36 -6.377 5.764 -28.360 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.863 3.162 -29.802 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.907 4.630 -29.852 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.054 2.451 -28.525 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.685 4.067 -27.955 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.704 2.100 -26.873 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.748 3.283 -26.002 1.00 0.00 H new ATOM 539 N ASN A 37 -8.576 3.419 -28.649 1.00 0.00 N ATOM 540 CA ASN A 37 -9.887 3.128 -29.219 1.00 0.00 C ATOM 541 C ASN A 37 -11.001 3.480 -28.239 1.00 0.00 C ATOM 542 O ASN A 37 -12.181 3.423 -28.584 1.00 0.00 O ATOM 543 CB ASN A 37 -9.977 1.645 -29.584 1.00 0.00 C ATOM 544 CG ASN A 37 -9.933 1.474 -31.098 1.00 0.00 C ATOM 545 OD1 ASN A 37 -10.973 1.498 -31.758 1.00 0.00 O ATOM 546 ND2 ASN A 37 -8.784 1.300 -31.693 1.00 0.00 N ATOM 0 H ASN A 37 -8.257 2.751 -27.948 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.010 3.736 -30.115 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.153 1.099 -29.125 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.900 1.221 -29.189 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.747 1.184 -32.706 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.924 1.280 -31.145 1.00 0.00 H new ATOM 553 N LYS A 38 -10.627 3.837 -27.017 1.00 0.00 N ATOM 554 CA LYS A 38 -11.616 4.184 -26.004 1.00 0.00 C ATOM 555 C LYS A 38 -12.650 3.070 -25.882 1.00 0.00 C ATOM 556 O LYS A 38 -13.842 3.328 -25.711 1.00 0.00 O ATOM 557 CB LYS A 38 -12.314 5.494 -26.375 1.00 0.00 C ATOM 558 CG LYS A 38 -11.367 6.364 -27.205 1.00 0.00 C ATOM 559 CD LYS A 38 -11.867 7.809 -27.201 1.00 0.00 C ATOM 560 CE LYS A 38 -10.880 8.692 -27.966 1.00 0.00 C ATOM 561 NZ LYS A 38 -11.588 9.899 -28.478 1.00 0.00 N ATOM 0 H LYS A 38 -9.657 3.894 -26.705 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.108 4.309 -25.048 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.222 5.286 -26.940 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.615 6.026 -25.472 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.358 6.316 -26.795 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.314 5.989 -28.227 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.854 7.865 -27.661 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.972 8.166 -26.176 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.059 8.988 -27.313 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.443 8.134 -28.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.918 10.500 -28.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.357 9.607 -29.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.984 10.434 -27.679 1.00 0.00 H new ATOM 575 N LYS A 39 -12.181 1.831 -25.972 1.00 0.00 N ATOM 576 CA LYS A 39 -13.065 0.676 -25.872 1.00 0.00 C ATOM 577 C LYS A 39 -12.474 -0.355 -24.919 1.00 0.00 C ATOM 578 O LYS A 39 -11.255 -0.488 -24.817 1.00 0.00 O ATOM 579 CB LYS A 39 -13.263 0.046 -27.252 1.00 0.00 C ATOM 580 CG LYS A 39 -14.183 -1.171 -27.135 1.00 0.00 C ATOM 581 CD LYS A 39 -15.362 -1.017 -28.100 1.00 0.00 C ATOM 582 CE LYS A 39 -14.838 -0.727 -29.509 1.00 0.00 C ATOM 583 NZ LYS A 39 -15.275 0.633 -29.931 1.00 0.00 N ATOM 0 H LYS A 39 -11.197 1.601 -26.113 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.030 1.007 -25.487 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.694 0.776 -27.937 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.301 -0.252 -27.668 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.629 -2.082 -27.364 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.547 -1.268 -26.112 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.962 -1.927 -28.105 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.012 -0.207 -27.769 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.750 -0.792 -29.525 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.212 -1.474 -30.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.548 1.058 -30.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.170 0.563 -30.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.413 1.230 -29.090 1.00 0.00 H new ATOM 597 N VAL A 40 -13.339 -1.077 -24.219 1.00 0.00 N ATOM 598 CA VAL A 40 -12.875 -2.085 -23.275 1.00 0.00 C ATOM 599 C VAL A 40 -13.466 -3.453 -23.597 1.00 0.00 C ATOM 600 O VAL A 40 -14.684 -3.631 -23.596 1.00 0.00 O ATOM 601 CB VAL A 40 -13.269 -1.681 -21.853 1.00 0.00 C ATOM 602 CG1 VAL A 40 -12.503 -2.538 -20.842 1.00 0.00 C ATOM 603 CG2 VAL A 40 -12.928 -0.205 -21.632 1.00 0.00 C ATOM 0 H VAL A 40 -14.353 -0.986 -24.285 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.790 -2.151 -23.354 1.00 0.00 H new ATOM 0 HB VAL A 40 -14.340 -1.834 -21.717 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.786 -2.247 -19.830 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.745 -3.589 -20.999 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.432 -2.388 -20.976 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -13.208 0.085 -20.619 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.857 -0.054 -21.770 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.476 0.406 -22.349 1.00 0.00 H new ATOM 613 N CYS A 41 -12.592 -4.419 -23.851 1.00 0.00 N ATOM 614 CA CYS A 41 -13.029 -5.776 -24.152 1.00 0.00 C ATOM 615 C CYS A 41 -12.733 -6.680 -22.963 1.00 0.00 C ATOM 616 O CYS A 41 -11.575 -6.883 -22.601 1.00 0.00 O ATOM 617 CB CYS A 41 -12.307 -6.301 -25.393 1.00 0.00 C ATOM 618 SG CYS A 41 -13.316 -5.981 -26.860 1.00 0.00 S ATOM 0 H CYS A 41 -11.580 -4.289 -23.855 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.101 -5.770 -24.347 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -11.336 -5.816 -25.494 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.121 -7.370 -25.293 1.00 0.00 H new ATOM 0 HG CYS A 41 -12.701 -6.426 -27.915 1.00 0.00 H new ATOM 624 N ILE A 42 -13.785 -7.200 -22.343 1.00 0.00 N ATOM 625 CA ILE A 42 -13.612 -8.057 -21.176 1.00 0.00 C ATOM 626 C ILE A 42 -14.273 -9.416 -21.361 1.00 0.00 C ATOM 627 O ILE A 42 -15.413 -9.512 -21.815 1.00 0.00 O ATOM 628 CB ILE A 42 -14.220 -7.382 -19.949 1.00 0.00 C ATOM 629 CG1 ILE A 42 -14.488 -8.436 -18.869 1.00 0.00 C ATOM 630 CG2 ILE A 42 -15.537 -6.709 -20.339 1.00 0.00 C ATOM 631 CD1 ILE A 42 -14.406 -7.788 -17.487 1.00 0.00 C ATOM 0 H ILE A 42 -14.754 -7.047 -22.623 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.541 -8.212 -21.043 1.00 0.00 H new ATOM 0 HB ILE A 42 -13.528 -6.633 -19.565 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -15.473 -8.879 -19.016 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.760 -9.244 -18.947 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.972 -6.227 -19.464 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -15.349 -5.961 -21.110 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.229 -7.459 -20.722 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -14.597 -8.539 -16.721 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.412 -7.366 -17.341 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -15.151 -6.996 -17.412 1.00 0.00 H new ATOM 643 N GLU A 43 -13.556 -10.462 -20.962 1.00 0.00 N ATOM 644 CA GLU A 43 -14.080 -11.812 -21.037 1.00 0.00 C ATOM 645 C GLU A 43 -14.363 -12.293 -19.619 1.00 0.00 C ATOM 646 O GLU A 43 -13.444 -12.417 -18.809 1.00 0.00 O ATOM 647 CB GLU A 43 -13.051 -12.731 -21.699 1.00 0.00 C ATOM 648 CG GLU A 43 -13.132 -12.588 -23.221 1.00 0.00 C ATOM 649 CD GLU A 43 -12.395 -11.329 -23.665 1.00 0.00 C ATOM 650 OE1 GLU A 43 -12.609 -10.295 -23.056 1.00 0.00 O ATOM 651 OE2 GLU A 43 -11.626 -11.419 -24.609 1.00 0.00 O ATOM 0 H GLU A 43 -12.611 -10.396 -20.584 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.995 -11.828 -21.630 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.049 -12.478 -21.354 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.236 -13.766 -21.411 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.695 -13.464 -23.701 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.175 -12.539 -23.535 1.00 0.00 H new ATOM 658 N SER A 44 -15.628 -12.542 -19.307 1.00 0.00 N ATOM 659 CA SER A 44 -15.978 -12.979 -17.962 1.00 0.00 C ATOM 660 C SER A 44 -17.130 -13.973 -17.974 1.00 0.00 C ATOM 661 O SER A 44 -17.839 -14.120 -18.968 1.00 0.00 O ATOM 662 CB SER A 44 -16.360 -11.772 -17.104 1.00 0.00 C ATOM 663 OG SER A 44 -17.058 -10.826 -17.904 1.00 0.00 O ATOM 0 H SER A 44 -16.414 -12.452 -19.951 1.00 0.00 H new ATOM 0 HA SER A 44 -15.104 -13.476 -17.540 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.984 -12.089 -16.268 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.466 -11.316 -16.679 1.00 0.00 H new ATOM 0 HG SER A 44 -17.165 -9.990 -17.404 1.00 0.00 H new ATOM 669 N GLU A 45 -17.301 -14.650 -16.845 1.00 0.00 N ATOM 670 CA GLU A 45 -18.357 -15.634 -16.694 1.00 0.00 C ATOM 671 C GLU A 45 -19.723 -14.958 -16.664 1.00 0.00 C ATOM 672 O GLU A 45 -20.711 -15.511 -17.146 1.00 0.00 O ATOM 673 CB GLU A 45 -18.136 -16.400 -15.392 1.00 0.00 C ATOM 674 CG GLU A 45 -16.688 -16.893 -15.334 1.00 0.00 C ATOM 675 CD GLU A 45 -16.621 -18.231 -14.606 1.00 0.00 C ATOM 676 OE1 GLU A 45 -16.832 -19.245 -15.251 1.00 0.00 O ATOM 677 OE2 GLU A 45 -16.359 -18.222 -13.414 1.00 0.00 O ATOM 0 H GLU A 45 -16.716 -14.532 -16.018 1.00 0.00 H new ATOM 0 HA GLU A 45 -18.331 -16.318 -17.542 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.348 -15.757 -14.538 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.822 -17.245 -15.333 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.291 -16.999 -16.343 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.066 -16.159 -14.822 1.00 0.00 H new ATOM 684 N HIS A 46 -19.770 -13.758 -16.091 1.00 0.00 N ATOM 685 CA HIS A 46 -21.022 -13.017 -16.000 1.00 0.00 C ATOM 686 C HIS A 46 -20.982 -11.785 -16.895 1.00 0.00 C ATOM 687 O HIS A 46 -21.749 -11.672 -17.851 1.00 0.00 O ATOM 688 CB HIS A 46 -21.269 -12.587 -14.553 1.00 0.00 C ATOM 689 CG HIS A 46 -20.842 -13.688 -13.621 1.00 0.00 C ATOM 690 ND1 HIS A 46 -21.538 -14.881 -13.520 1.00 0.00 N ATOM 691 CD2 HIS A 46 -19.791 -13.791 -12.744 1.00 0.00 C ATOM 692 CE1 HIS A 46 -20.904 -15.644 -12.611 1.00 0.00 C ATOM 693 NE2 HIS A 46 -19.833 -15.028 -12.107 1.00 0.00 N ATOM 0 H HIS A 46 -18.963 -13.283 -15.687 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.831 -13.668 -16.331 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -20.714 -11.675 -14.334 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.325 -12.360 -14.405 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.045 -13.029 -12.574 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -21.223 -16.635 -12.324 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -19.185 -15.386 -11.406 1.00 0.00 H new ATOM 701 N SER A 47 -20.085 -10.865 -16.571 1.00 0.00 N ATOM 702 CA SER A 47 -19.948 -9.639 -17.345 1.00 0.00 C ATOM 703 C SER A 47 -21.235 -8.824 -17.283 1.00 0.00 C ATOM 704 O SER A 47 -21.808 -8.470 -18.314 1.00 0.00 O ATOM 705 CB SER A 47 -19.623 -9.973 -18.801 1.00 0.00 C ATOM 706 OG SER A 47 -19.124 -11.302 -18.878 1.00 0.00 O ATOM 0 H SER A 47 -19.444 -10.943 -15.781 1.00 0.00 H new ATOM 0 HA SER A 47 -19.135 -9.050 -16.919 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.516 -9.871 -19.418 1.00 0.00 H new ATOM 0 HB3 SER A 47 -18.885 -9.272 -19.191 1.00 0.00 H new ATOM 0 HG SER A 47 -18.201 -11.325 -18.548 1.00 0.00 H new ATOM 712 N MET A 48 -21.686 -8.530 -16.067 1.00 0.00 N ATOM 713 CA MET A 48 -22.907 -7.754 -15.884 1.00 0.00 C ATOM 714 C MET A 48 -23.031 -7.279 -14.440 1.00 0.00 C ATOM 715 O MET A 48 -24.066 -7.462 -13.799 1.00 0.00 O ATOM 716 CB MET A 48 -24.125 -8.604 -16.251 1.00 0.00 C ATOM 717 CG MET A 48 -24.029 -9.958 -15.548 1.00 0.00 C ATOM 718 SD MET A 48 -25.695 -10.604 -15.256 1.00 0.00 S ATOM 719 CE MET A 48 -26.133 -10.886 -16.989 1.00 0.00 C ATOM 0 H MET A 48 -21.229 -8.815 -15.201 1.00 0.00 H new ATOM 0 HA MET A 48 -22.862 -6.882 -16.537 1.00 0.00 H new ATOM 0 HB2 MET A 48 -25.041 -8.093 -15.956 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.172 -8.745 -17.331 1.00 0.00 H new ATOM 0 HG2 MET A 48 -23.458 -10.657 -16.159 1.00 0.00 H new ATOM 0 HG3 MET A 48 -23.497 -9.852 -14.602 1.00 0.00 H new ATOM 0 HE1 MET A 48 -27.024 -11.512 -17.042 1.00 0.00 H new ATOM 0 HE2 MET A 48 -26.332 -9.930 -17.474 1.00 0.00 H new ATOM 0 HE3 MET A 48 -25.308 -11.385 -17.496 1.00 0.00 H new ATOM 729 N ASP A 49 -21.968 -6.665 -13.941 1.00 0.00 N ATOM 730 CA ASP A 49 -21.951 -6.157 -12.574 1.00 0.00 C ATOM 731 C ASP A 49 -20.562 -5.636 -12.237 1.00 0.00 C ATOM 732 O ASP A 49 -20.408 -4.671 -11.489 1.00 0.00 O ATOM 733 CB ASP A 49 -22.341 -7.262 -11.590 1.00 0.00 C ATOM 734 CG ASP A 49 -21.936 -8.625 -12.143 1.00 0.00 C ATOM 735 OD1 ASP A 49 -20.767 -8.797 -12.441 1.00 0.00 O ATOM 736 OD2 ASP A 49 -22.803 -9.477 -12.257 1.00 0.00 O ATOM 0 H ASP A 49 -21.105 -6.506 -14.461 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.673 -5.344 -12.493 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.855 -7.092 -10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -23.416 -7.238 -11.412 1.00 0.00 H new ATOM 741 N THR A 50 -19.553 -6.286 -12.803 1.00 0.00 N ATOM 742 CA THR A 50 -18.170 -5.894 -12.573 1.00 0.00 C ATOM 743 C THR A 50 -17.799 -4.686 -13.426 1.00 0.00 C ATOM 744 O THR A 50 -17.051 -3.810 -12.990 1.00 0.00 O ATOM 745 CB THR A 50 -17.237 -7.059 -12.917 1.00 0.00 C ATOM 746 OG1 THR A 50 -15.945 -6.551 -13.217 1.00 0.00 O ATOM 747 CG2 THR A 50 -17.781 -7.818 -14.134 1.00 0.00 C ATOM 0 H THR A 50 -19.667 -7.087 -13.424 1.00 0.00 H new ATOM 0 HA THR A 50 -18.061 -5.629 -11.521 1.00 0.00 H new ATOM 0 HB THR A 50 -17.178 -7.739 -12.067 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.918 -6.257 -14.152 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.114 -8.646 -14.375 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.774 -8.206 -13.907 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.843 -7.142 -14.987 1.00 0.00 H new ATOM 755 N LEU A 51 -18.313 -4.658 -14.650 1.00 0.00 N ATOM 756 CA LEU A 51 -18.018 -3.570 -15.575 1.00 0.00 C ATOM 757 C LEU A 51 -18.571 -2.232 -15.085 1.00 0.00 C ATOM 758 O LEU A 51 -17.845 -1.243 -15.016 1.00 0.00 O ATOM 759 CB LEU A 51 -18.613 -3.890 -16.948 1.00 0.00 C ATOM 760 CG LEU A 51 -18.435 -5.379 -17.252 1.00 0.00 C ATOM 761 CD1 LEU A 51 -18.783 -5.644 -18.718 1.00 0.00 C ATOM 762 CD2 LEU A 51 -16.982 -5.782 -16.994 1.00 0.00 C ATOM 0 H LEU A 51 -18.935 -5.375 -15.025 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.934 -3.479 -15.641 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -19.671 -3.629 -16.966 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -18.124 -3.291 -17.716 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.094 -5.963 -16.609 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -18.657 -6.704 -18.936 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -19.818 -5.356 -18.904 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -18.123 -5.060 -19.360 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -16.855 -6.843 -17.210 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -16.323 -5.199 -17.637 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -16.732 -5.592 -15.950 1.00 0.00 H new ATOM 774 N LEU A 52 -19.862 -2.201 -14.777 1.00 0.00 N ATOM 775 CA LEU A 52 -20.506 -0.967 -14.333 1.00 0.00 C ATOM 776 C LEU A 52 -19.807 -0.356 -13.120 1.00 0.00 C ATOM 777 O LEU A 52 -19.487 0.833 -13.117 1.00 0.00 O ATOM 778 CB LEU A 52 -21.976 -1.231 -13.992 1.00 0.00 C ATOM 779 CG LEU A 52 -22.145 -2.658 -13.458 1.00 0.00 C ATOM 780 CD1 LEU A 52 -23.349 -2.709 -12.511 1.00 0.00 C ATOM 781 CD2 LEU A 52 -22.380 -3.626 -14.622 1.00 0.00 C ATOM 0 H LEU A 52 -20.482 -3.010 -14.825 1.00 0.00 H new ATOM 0 HA LEU A 52 -20.435 -0.255 -15.155 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -22.319 -0.513 -13.247 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -22.594 -1.091 -14.879 1.00 0.00 H new ATOM 0 HG LEU A 52 -21.241 -2.948 -12.923 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -23.470 -3.723 -12.131 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -23.185 -2.026 -11.677 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -24.249 -2.414 -13.050 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -22.499 -4.638 -14.235 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -23.282 -3.335 -15.161 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -21.527 -3.595 -15.299 1.00 0.00 H new ATOM 793 N ALA A 53 -19.596 -1.158 -12.084 1.00 0.00 N ATOM 794 CA ALA A 53 -18.959 -0.660 -10.866 1.00 0.00 C ATOM 795 C ALA A 53 -17.551 -0.131 -11.136 1.00 0.00 C ATOM 796 O ALA A 53 -17.191 0.954 -10.679 1.00 0.00 O ATOM 797 CB ALA A 53 -18.885 -1.781 -9.830 1.00 0.00 C ATOM 0 H ALA A 53 -19.852 -2.145 -12.059 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.564 0.165 -10.490 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.410 -1.407 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.892 -2.127 -9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.301 -2.609 -10.231 1.00 0.00 H new ATOM 803 N THR A 54 -16.751 -0.906 -11.858 1.00 0.00 N ATOM 804 CA THR A 54 -15.381 -0.508 -12.155 1.00 0.00 C ATOM 805 C THR A 54 -15.325 0.676 -13.118 1.00 0.00 C ATOM 806 O THR A 54 -14.621 1.652 -12.870 1.00 0.00 O ATOM 807 CB THR A 54 -14.621 -1.687 -12.758 1.00 0.00 C ATOM 808 OG1 THR A 54 -15.414 -2.297 -13.766 1.00 0.00 O ATOM 809 CG2 THR A 54 -14.308 -2.710 -11.664 1.00 0.00 C ATOM 0 H THR A 54 -17.025 -1.808 -12.247 1.00 0.00 H new ATOM 0 HA THR A 54 -14.918 -0.200 -11.218 1.00 0.00 H new ATOM 0 HB THR A 54 -13.689 -1.330 -13.196 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.811 -3.122 -13.416 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.766 -3.551 -12.096 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.697 -2.242 -10.892 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.239 -3.067 -11.223 1.00 0.00 H new ATOM 817 N LEU A 55 -16.046 0.574 -14.225 1.00 0.00 N ATOM 818 CA LEU A 55 -16.042 1.637 -15.224 1.00 0.00 C ATOM 819 C LEU A 55 -16.630 2.936 -14.668 1.00 0.00 C ATOM 820 O LEU A 55 -16.128 4.022 -14.955 1.00 0.00 O ATOM 821 CB LEU A 55 -16.842 1.196 -16.454 1.00 0.00 C ATOM 822 CG LEU A 55 -15.967 0.327 -17.369 1.00 0.00 C ATOM 823 CD1 LEU A 55 -15.142 -0.654 -16.533 1.00 0.00 C ATOM 824 CD2 LEU A 55 -16.863 -0.464 -18.325 1.00 0.00 C ATOM 0 H LEU A 55 -16.637 -0.225 -14.455 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.006 1.828 -15.504 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.724 0.636 -16.142 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.196 2.071 -17.000 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.295 0.973 -17.934 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.525 -1.265 -17.192 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.501 -0.099 -15.848 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.811 -1.298 -15.962 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.244 -1.082 -18.976 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.535 -1.102 -17.750 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -17.449 0.228 -18.931 1.00 0.00 H new ATOM 836 N LYS A 56 -17.703 2.823 -13.890 1.00 0.00 N ATOM 837 CA LYS A 56 -18.355 4.005 -13.327 1.00 0.00 C ATOM 838 C LYS A 56 -17.516 4.645 -12.222 1.00 0.00 C ATOM 839 O LYS A 56 -17.747 5.796 -11.852 1.00 0.00 O ATOM 840 CB LYS A 56 -19.724 3.624 -12.763 1.00 0.00 C ATOM 841 CG LYS A 56 -20.652 3.211 -13.906 1.00 0.00 C ATOM 842 CD LYS A 56 -21.903 2.545 -13.332 1.00 0.00 C ATOM 843 CE LYS A 56 -22.796 3.609 -12.688 1.00 0.00 C ATOM 844 NZ LYS A 56 -24.192 3.098 -12.592 1.00 0.00 N ATOM 0 H LYS A 56 -18.137 1.936 -13.636 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.468 4.732 -14.132 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -19.620 2.805 -12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.152 4.466 -12.220 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -20.930 4.084 -14.496 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.137 2.524 -14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -22.447 2.027 -14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -21.622 1.794 -12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -22.421 3.861 -11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -22.773 4.524 -13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -24.797 3.822 -12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -24.548 2.879 -13.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -24.207 2.236 -12.010 1.00 0.00 H new ATOM 858 N LYS A 57 -16.555 3.901 -11.689 1.00 0.00 N ATOM 859 CA LYS A 57 -15.713 4.428 -10.619 1.00 0.00 C ATOM 860 C LYS A 57 -15.130 5.792 -10.992 1.00 0.00 C ATOM 861 O LYS A 57 -15.014 6.675 -10.142 1.00 0.00 O ATOM 862 CB LYS A 57 -14.579 3.449 -10.306 1.00 0.00 C ATOM 863 CG LYS A 57 -14.585 3.114 -8.813 1.00 0.00 C ATOM 864 CD LYS A 57 -13.624 1.955 -8.543 1.00 0.00 C ATOM 865 CE LYS A 57 -13.350 1.862 -7.041 1.00 0.00 C ATOM 866 NZ LYS A 57 -12.418 2.952 -6.637 1.00 0.00 N ATOM 0 H LYS A 57 -16.340 2.945 -11.973 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.338 4.553 -9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.699 2.539 -10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.621 3.886 -10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.289 3.988 -8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.592 2.846 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.053 1.020 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.691 2.108 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.284 1.943 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.918 0.891 -6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.981 2.714 -5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.676 3.060 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.945 3.844 -6.547 1.00 0.00 H new ATOM 880 N THR A 58 -14.767 5.966 -12.262 1.00 0.00 N ATOM 881 CA THR A 58 -14.202 7.235 -12.709 1.00 0.00 C ATOM 882 C THR A 58 -15.311 8.198 -13.114 1.00 0.00 C ATOM 883 O THR A 58 -15.050 9.270 -13.660 1.00 0.00 O ATOM 884 CB THR A 58 -13.262 7.020 -13.896 1.00 0.00 C ATOM 885 OG1 THR A 58 -13.483 8.043 -14.851 1.00 0.00 O ATOM 886 CG2 THR A 58 -13.529 5.662 -14.548 1.00 0.00 C ATOM 0 H THR A 58 -14.853 5.255 -12.989 1.00 0.00 H new ATOM 0 HA THR A 58 -13.638 7.661 -11.880 1.00 0.00 H new ATOM 0 HB THR A 58 -12.231 7.047 -13.543 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.459 8.916 -14.407 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.852 5.524 -15.391 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.366 4.869 -13.818 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.560 5.624 -14.900 1.00 0.00 H new ATOM 894 N GLY A 59 -16.546 7.801 -12.848 1.00 0.00 N ATOM 895 CA GLY A 59 -17.696 8.630 -13.193 1.00 0.00 C ATOM 896 C GLY A 59 -17.952 8.586 -14.693 1.00 0.00 C ATOM 897 O GLY A 59 -18.710 9.394 -15.232 1.00 0.00 O ATOM 0 H GLY A 59 -16.779 6.916 -12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -18.578 8.280 -12.657 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.518 9.658 -12.878 1.00 0.00 H new ATOM 901 N ALA A 60 -17.310 7.634 -15.360 1.00 0.00 N ATOM 902 CA ALA A 60 -17.463 7.478 -16.800 1.00 0.00 C ATOM 903 C ALA A 60 -18.798 6.819 -17.131 1.00 0.00 C ATOM 904 O ALA A 60 -19.308 6.008 -16.358 1.00 0.00 O ATOM 905 CB ALA A 60 -16.322 6.626 -17.355 1.00 0.00 C ATOM 0 H ALA A 60 -16.679 6.960 -14.927 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.436 8.467 -17.258 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.443 6.513 -18.432 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.369 7.113 -17.146 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.339 5.643 -16.883 1.00 0.00 H new ATOM 911 N THR A 61 -19.355 7.173 -18.284 1.00 0.00 N ATOM 912 CA THR A 61 -20.629 6.608 -18.712 1.00 0.00 C ATOM 913 C THR A 61 -20.438 5.176 -19.200 1.00 0.00 C ATOM 914 O THR A 61 -19.580 4.908 -20.042 1.00 0.00 O ATOM 915 CB THR A 61 -21.222 7.461 -19.836 1.00 0.00 C ATOM 916 OG1 THR A 61 -22.603 7.160 -19.978 1.00 0.00 O ATOM 917 CG2 THR A 61 -20.492 7.160 -21.147 1.00 0.00 C ATOM 0 H THR A 61 -18.947 7.844 -18.935 1.00 0.00 H new ATOM 0 HA THR A 61 -21.312 6.602 -17.863 1.00 0.00 H new ATOM 0 HB THR A 61 -21.104 8.517 -19.593 1.00 0.00 H new ATOM 0 HG1 THR A 61 -22.985 7.707 -20.696 1.00 0.00 H new ATOM 0 HG21 THR A 61 -20.915 7.768 -21.947 1.00 0.00 H new ATOM 0 HG22 THR A 61 -19.433 7.393 -21.036 1.00 0.00 H new ATOM 0 HG23 THR A 61 -20.607 6.105 -21.394 1.00 0.00 H new ATOM 925 N VAL A 62 -21.235 4.257 -18.664 1.00 0.00 N ATOM 926 CA VAL A 62 -21.135 2.853 -19.052 1.00 0.00 C ATOM 927 C VAL A 62 -22.380 2.408 -19.812 1.00 0.00 C ATOM 928 O VAL A 62 -23.505 2.690 -19.401 1.00 0.00 O ATOM 929 CB VAL A 62 -20.957 1.980 -17.808 1.00 0.00 C ATOM 930 CG1 VAL A 62 -22.301 1.819 -17.096 1.00 0.00 C ATOM 931 CG2 VAL A 62 -20.439 0.602 -18.222 1.00 0.00 C ATOM 0 H VAL A 62 -21.952 4.456 -17.966 1.00 0.00 H new ATOM 0 HA VAL A 62 -20.270 2.741 -19.705 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.243 2.454 -17.135 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.171 1.197 -16.210 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -22.675 2.799 -16.799 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.015 1.346 -17.770 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -20.312 -0.020 -17.336 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -21.155 0.132 -18.896 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.480 0.711 -18.729 1.00 0.00 H new ATOM 941 N SER A 63 -22.168 1.707 -20.921 1.00 0.00 N ATOM 942 CA SER A 63 -23.278 1.220 -21.729 1.00 0.00 C ATOM 943 C SER A 63 -23.015 -0.211 -22.189 1.00 0.00 C ATOM 944 O SER A 63 -21.980 -0.497 -22.790 1.00 0.00 O ATOM 945 CB SER A 63 -23.474 2.123 -22.947 1.00 0.00 C ATOM 946 OG SER A 63 -24.770 1.906 -23.489 1.00 0.00 O ATOM 0 H SER A 63 -21.244 1.465 -21.278 1.00 0.00 H new ATOM 0 HA SER A 63 -24.182 1.234 -21.120 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.357 3.168 -22.662 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.713 1.910 -23.698 1.00 0.00 H new ATOM 0 HG SER A 63 -24.899 2.485 -24.269 1.00 0.00 H new ATOM 952 N TYR A 64 -23.955 -1.105 -21.902 1.00 0.00 N ATOM 953 CA TYR A 64 -23.809 -2.502 -22.291 1.00 0.00 C ATOM 954 C TYR A 64 -24.202 -2.692 -23.754 1.00 0.00 C ATOM 955 O TYR A 64 -25.309 -2.334 -24.160 1.00 0.00 O ATOM 956 CB TYR A 64 -24.674 -3.391 -21.387 1.00 0.00 C ATOM 957 CG TYR A 64 -25.971 -3.730 -22.082 1.00 0.00 C ATOM 958 CD1 TYR A 64 -25.974 -4.639 -23.147 1.00 0.00 C ATOM 959 CD2 TYR A 64 -27.169 -3.137 -21.665 1.00 0.00 C ATOM 960 CE1 TYR A 64 -27.173 -4.955 -23.794 1.00 0.00 C ATOM 961 CE2 TYR A 64 -28.369 -3.453 -22.312 1.00 0.00 C ATOM 962 CZ TYR A 64 -28.370 -4.363 -23.378 1.00 0.00 C ATOM 963 OH TYR A 64 -29.553 -4.673 -24.017 1.00 0.00 O ATOM 0 H TYR A 64 -24.819 -0.889 -21.405 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.764 -2.791 -22.175 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -24.135 -4.306 -21.140 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -24.879 -2.878 -20.447 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -25.050 -5.096 -23.469 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -27.167 -2.436 -20.844 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -27.175 -5.656 -24.615 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -29.293 -2.996 -21.990 1.00 0.00 H new ATOM 0 HH TYR A 64 -30.289 -4.175 -23.603 1.00 0.00 H new ATOM 973 N LEU A 65 -23.292 -3.257 -24.541 1.00 0.00 N ATOM 974 CA LEU A 65 -23.559 -3.488 -25.956 1.00 0.00 C ATOM 975 C LEU A 65 -24.365 -4.769 -26.149 1.00 0.00 C ATOM 976 O LEU A 65 -25.386 -4.773 -26.836 1.00 0.00 O ATOM 977 CB LEU A 65 -22.241 -3.590 -26.725 1.00 0.00 C ATOM 978 CG LEU A 65 -21.430 -2.309 -26.522 1.00 0.00 C ATOM 979 CD1 LEU A 65 -20.135 -2.390 -27.332 1.00 0.00 C ATOM 980 CD2 LEU A 65 -22.250 -1.108 -26.994 1.00 0.00 C ATOM 0 H LEU A 65 -22.371 -3.561 -24.226 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.139 -2.648 -26.339 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -21.671 -4.452 -26.378 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.438 -3.744 -27.786 1.00 0.00 H new ATOM 0 HG LEU A 65 -21.191 -2.195 -25.465 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.557 -1.477 -27.187 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.550 -3.247 -26.998 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.374 -2.504 -28.389 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -21.673 -0.194 -26.850 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.489 -1.223 -28.051 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -23.173 -1.049 -26.418 1.00 0.00 H new ATOM 992 N GLY A 66 -23.899 -5.852 -25.538 1.00 0.00 N ATOM 993 CA GLY A 66 -24.587 -7.134 -25.651 1.00 0.00 C ATOM 994 C GLY A 66 -23.596 -8.291 -25.590 1.00 0.00 C ATOM 995 O GLY A 66 -22.384 -8.080 -25.557 1.00 0.00 O ATOM 0 H GLY A 66 -23.056 -5.870 -24.964 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -25.316 -7.232 -24.847 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -25.140 -7.173 -26.589 1.00 0.00 H new ATOM 999 N LEU A 67 -24.119 -9.512 -25.576 1.00 0.00 N ATOM 1000 CA LEU A 67 -23.268 -10.695 -25.521 1.00 0.00 C ATOM 1001 C LEU A 67 -22.895 -11.151 -26.928 1.00 0.00 C ATOM 1002 O LEU A 67 -23.721 -11.115 -27.841 1.00 0.00 O ATOM 1003 CB LEU A 67 -23.991 -11.830 -24.792 1.00 0.00 C ATOM 1004 CG LEU A 67 -24.579 -11.308 -23.479 1.00 0.00 C ATOM 1005 CD1 LEU A 67 -25.798 -12.149 -23.097 1.00 0.00 C ATOM 1006 CD2 LEU A 67 -23.524 -11.408 -22.374 1.00 0.00 C ATOM 0 H LEU A 67 -25.120 -9.708 -25.602 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.358 -10.438 -24.979 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -24.784 -12.233 -25.422 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -23.297 -12.647 -24.592 1.00 0.00 H new ATOM 0 HG LEU A 67 -24.880 -10.268 -23.603 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -26.217 -11.778 -22.162 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -26.549 -12.080 -23.884 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.498 -13.189 -22.972 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -23.941 -11.037 -21.438 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -23.224 -12.449 -22.250 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -22.654 -10.810 -22.646 1.00 0.00 H new ATOM 1018 N GLU A 68 -21.648 -11.576 -27.096 1.00 0.00 N ATOM 1019 CA GLU A 68 -21.176 -12.036 -28.397 1.00 0.00 C ATOM 1020 C GLU A 68 -21.037 -13.555 -28.410 1.00 0.00 C ATOM 1021 O GLU A 68 -21.729 -14.201 -27.641 1.00 0.00 O ATOM 1022 CB GLU A 68 -19.825 -11.396 -28.719 1.00 0.00 C ATOM 1023 CG GLU A 68 -19.685 -11.234 -30.234 1.00 0.00 C ATOM 1024 CD GLU A 68 -20.667 -10.184 -30.739 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -20.775 -9.147 -30.103 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -21.299 -10.431 -31.752 1.00 0.00 O ATOM 1027 OXT GLU A 68 -20.239 -14.050 -29.189 1.00 0.00 O ATOM 0 H GLU A 68 -20.950 -11.612 -26.353 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.906 -11.742 -29.152 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -19.745 -10.425 -28.230 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -19.016 -12.016 -28.333 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -18.665 -10.940 -30.484 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -19.873 -12.187 -30.729 1.00 0.00 H new TER 1034 GLU A 68