USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 475 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 3 HIS : no HD1:sc= -0.252 X(o=-2,f=-1.8) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.78 X(o=-2,f=-2) USER MOD Set 2.1: A 14 CYS SG : rot 170:sc= -0.311! USER MOD Set 2.2: A 62 TYR OH : rot -89:sc= 0.592 USER MOD Set 3.1: A 11 CYS SG : rot 180:sc= -0.337 USER MOD Set 3.2: A 13 SER OG : rot 91:sc= 0.0962 USER MOD Set 4.1: A 7 THR OG1 : rot -125:sc= 0.484 USER MOD Set 4.2: A 65 THR OG1 : rot 180:sc= 0.527 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 151:sc= -2.8! (180deg=-4.17!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 141:sc= 1.24 (180deg=1.03) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 74:sc= 0.477 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -3.148 0.918 -2.671 1.00 0.00 N ATOM 35 CA HIS A 3 -4.435 1.204 -2.066 1.00 0.00 C ATOM 36 C HIS A 3 -5.319 1.880 -3.094 1.00 0.00 C ATOM 37 O HIS A 3 -5.016 2.970 -3.576 1.00 0.00 O ATOM 38 CB HIS A 3 -4.317 2.111 -0.845 1.00 0.00 C ATOM 39 CG HIS A 3 -3.447 1.598 0.269 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.469 2.138 1.538 1.00 0.00 N ATOM 41 CD2 HIS A 3 -2.532 0.597 0.310 1.00 0.00 C ATOM 42 CE1 HIS A 3 -2.605 1.501 2.305 1.00 0.00 C ATOM 43 NE2 HIS A 3 -2.025 0.562 1.585 1.00 0.00 N ATOM 0 HA HIS A 3 -4.863 0.258 -1.735 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.928 3.076 -1.169 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.317 2.287 -0.448 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.254 -0.051 -0.508 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.407 1.713 3.345 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.313 -0.087 1.921 1.00 0.00 H new ATOM 52 N LEU A 4 -6.410 1.233 -3.415 1.00 0.00 N ATOM 53 CA LEU A 4 -7.306 1.706 -4.458 1.00 0.00 C ATOM 54 C LEU A 4 -8.550 2.311 -3.828 1.00 0.00 C ATOM 55 O LEU A 4 -8.813 2.097 -2.648 1.00 0.00 O ATOM 56 CB LEU A 4 -7.685 0.557 -5.404 1.00 0.00 C ATOM 57 CG LEU A 4 -6.694 0.276 -6.544 1.00 0.00 C ATOM 58 CD1 LEU A 4 -6.301 1.558 -7.253 1.00 0.00 C ATOM 59 CD2 LEU A 4 -5.460 -0.442 -6.023 1.00 0.00 C ATOM 0 H LEU A 4 -6.708 0.366 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.797 2.472 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.798 -0.352 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.659 0.777 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.191 -0.373 -7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.599 1.330 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.190 2.029 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.831 2.238 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.773 -0.630 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.967 0.178 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.754 -1.390 -5.572 1.00 0.00 H new ATOM 71 N LYS A 5 -9.307 3.069 -4.602 1.00 0.00 N ATOM 72 CA LYS A 5 -10.500 3.724 -4.083 1.00 0.00 C ATOM 73 C LYS A 5 -11.730 3.317 -4.882 1.00 0.00 C ATOM 74 O LYS A 5 -11.726 3.354 -6.113 1.00 0.00 O ATOM 75 CB LYS A 5 -10.328 5.246 -4.113 1.00 0.00 C ATOM 76 CG LYS A 5 -11.546 6.014 -3.621 1.00 0.00 C ATOM 77 CD LYS A 5 -11.369 6.486 -2.186 1.00 0.00 C ATOM 78 CE LYS A 5 -12.709 6.728 -1.511 1.00 0.00 C ATOM 79 NZ LYS A 5 -12.755 8.042 -0.816 1.00 0.00 N ATOM 0 H LYS A 5 -9.120 3.247 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.641 3.407 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.468 5.517 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.103 5.556 -5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.721 6.873 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.429 5.379 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.806 5.741 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.783 7.405 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.503 6.684 -2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.902 5.931 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.686 8.166 -0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.014 8.075 -0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.597 8.805 -1.505 1.00 0.00 H new ATOM 93 N ILE A 6 -12.777 2.923 -4.173 1.00 0.00 N ATOM 94 CA ILE A 6 -14.032 2.552 -4.802 1.00 0.00 C ATOM 95 C ILE A 6 -14.925 3.786 -4.899 1.00 0.00 C ATOM 96 O ILE A 6 -15.139 4.488 -3.907 1.00 0.00 O ATOM 97 CB ILE A 6 -14.738 1.410 -4.015 1.00 0.00 C ATOM 98 CG1 ILE A 6 -14.444 0.054 -4.665 1.00 0.00 C ATOM 99 CG2 ILE A 6 -16.244 1.625 -3.930 1.00 0.00 C ATOM 100 CD1 ILE A 6 -13.005 -0.391 -4.542 1.00 0.00 C ATOM 0 H ILE A 6 -12.780 2.852 -3.155 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.832 2.174 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.340 1.422 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -15.086 -0.701 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.708 0.105 -5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.698 0.805 -3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.449 2.567 -3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -16.664 1.657 -4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.881 -1.359 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.355 0.341 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.739 -0.477 -3.488 1.00 0.00 H new ATOM 112 N THR A 7 -15.429 4.061 -6.093 1.00 0.00 N ATOM 113 CA THR A 7 -16.219 5.257 -6.315 1.00 0.00 C ATOM 114 C THR A 7 -17.541 4.917 -6.991 1.00 0.00 C ATOM 115 O THR A 7 -17.605 4.022 -7.840 1.00 0.00 O ATOM 116 CB THR A 7 -15.439 6.276 -7.167 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.173 5.719 -7.548 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.217 7.568 -6.396 1.00 0.00 C ATOM 0 H THR A 7 -15.304 3.474 -6.918 1.00 0.00 H new ATOM 0 HA THR A 7 -16.430 5.702 -5.343 1.00 0.00 H new ATOM 0 HB THR A 7 -16.025 6.501 -8.058 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.453 6.325 -7.275 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.664 8.272 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.180 8.001 -6.126 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.647 7.358 -5.491 1.00 0.00 H new ATOM 126 N GLY A 8 -18.597 5.604 -6.584 1.00 0.00 N ATOM 127 CA GLY A 8 -19.911 5.361 -7.147 1.00 0.00 C ATOM 128 C GLY A 8 -20.643 4.253 -6.419 1.00 0.00 C ATOM 129 O GLY A 8 -21.864 4.287 -6.280 1.00 0.00 O ATOM 0 H GLY A 8 -18.568 6.331 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.500 6.277 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.812 5.099 -8.200 1.00 0.00 H new ATOM 133 N MET A 9 -19.889 3.268 -5.950 1.00 0.00 N ATOM 134 CA MET A 9 -20.462 2.140 -5.230 1.00 0.00 C ATOM 135 C MET A 9 -20.620 2.475 -3.757 1.00 0.00 C ATOM 136 O MET A 9 -19.887 3.313 -3.225 1.00 0.00 O ATOM 137 CB MET A 9 -19.591 0.900 -5.394 1.00 0.00 C ATOM 138 CG MET A 9 -18.923 0.820 -6.743 1.00 0.00 C ATOM 139 SD MET A 9 -17.835 -0.605 -6.898 1.00 0.00 S ATOM 140 CE MET A 9 -16.395 0.158 -7.640 1.00 0.00 C ATOM 0 H MET A 9 -18.875 3.228 -6.056 1.00 0.00 H new ATOM 0 HA MET A 9 -21.446 1.932 -5.650 1.00 0.00 H new ATOM 0 HB2 MET A 9 -18.827 0.894 -4.616 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.204 0.011 -5.245 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.687 0.775 -7.520 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.349 1.730 -6.914 1.00 0.00 H new ATOM 0 HE1 MET A 9 -15.500 -0.391 -7.346 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.492 0.140 -8.726 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.315 1.191 -7.300 1.00 0.00 H new ATOM 150 N THR A 10 -21.566 1.821 -3.102 1.00 0.00 N ATOM 151 CA THR A 10 -21.838 2.070 -1.703 1.00 0.00 C ATOM 152 C THR A 10 -20.761 1.467 -0.809 1.00 0.00 C ATOM 153 O THR A 10 -20.071 2.183 -0.080 1.00 0.00 O ATOM 154 CB THR A 10 -23.199 1.476 -1.316 1.00 0.00 C ATOM 155 OG1 THR A 10 -23.779 0.811 -2.450 1.00 0.00 O ATOM 156 CG2 THR A 10 -24.143 2.555 -0.807 1.00 0.00 C ATOM 0 H THR A 10 -22.161 1.108 -3.525 1.00 0.00 H new ATOM 0 HA THR A 10 -21.847 3.150 -1.558 1.00 0.00 H new ATOM 0 HB THR A 10 -23.043 0.756 -0.513 1.00 0.00 H new ATOM 0 HG1 THR A 10 -24.647 0.432 -2.198 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.099 2.105 -0.540 1.00 0.00 H new ATOM 0 HG22 THR A 10 -23.709 3.033 0.071 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.298 3.301 -1.587 1.00 0.00 H new ATOM 164 N CYS A 11 -20.610 0.149 -0.886 1.00 0.00 N ATOM 165 CA CYS A 11 -19.729 -0.576 0.019 1.00 0.00 C ATOM 166 C CYS A 11 -19.579 -2.033 -0.419 1.00 0.00 C ATOM 167 O CYS A 11 -19.507 -2.316 -1.614 1.00 0.00 O ATOM 168 CB CYS A 11 -20.281 -0.495 1.436 1.00 0.00 C ATOM 169 SG CYS A 11 -22.053 -0.818 1.562 1.00 0.00 S ATOM 0 H CYS A 11 -21.088 -0.439 -1.568 1.00 0.00 H new ATOM 0 HA CYS A 11 -18.740 -0.119 -0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -19.748 -1.210 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.075 0.497 1.838 1.00 0.00 H new ATOM 0 HG CYS A 11 -22.423 -0.728 2.805 1.00 0.00 H new ATOM 175 N ASP A 12 -19.554 -2.947 0.554 1.00 0.00 N ATOM 176 CA ASP A 12 -19.342 -4.380 0.305 1.00 0.00 C ATOM 177 C ASP A 12 -20.317 -4.951 -0.723 1.00 0.00 C ATOM 178 O ASP A 12 -19.951 -5.832 -1.501 1.00 0.00 O ATOM 179 CB ASP A 12 -19.453 -5.172 1.614 1.00 0.00 C ATOM 180 CG ASP A 12 -20.884 -5.513 1.980 1.00 0.00 C ATOM 181 OD1 ASP A 12 -21.616 -4.613 2.443 1.00 0.00 O ATOM 182 OD2 ASP A 12 -21.281 -6.684 1.816 1.00 0.00 O ATOM 0 H ASP A 12 -19.680 -2.717 1.540 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.337 -4.480 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -18.877 -6.093 1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.005 -4.593 2.422 1.00 0.00 H new ATOM 187 N SER A 13 -21.546 -4.444 -0.735 1.00 0.00 N ATOM 188 CA SER A 13 -22.561 -4.905 -1.675 1.00 0.00 C ATOM 189 C SER A 13 -22.102 -4.711 -3.118 1.00 0.00 C ATOM 190 O SER A 13 -22.557 -5.397 -4.031 1.00 0.00 O ATOM 191 CB SER A 13 -23.860 -4.146 -1.422 1.00 0.00 C ATOM 192 OG SER A 13 -23.867 -3.597 -0.111 1.00 0.00 O ATOM 0 H SER A 13 -21.864 -3.711 -0.101 1.00 0.00 H new ATOM 0 HA SER A 13 -22.726 -5.972 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.972 -3.349 -2.157 1.00 0.00 H new ATOM 0 HB3 SER A 13 -24.710 -4.816 -1.547 1.00 0.00 H new ATOM 0 HG SER A 13 -23.492 -2.692 -0.133 1.00 0.00 H new ATOM 198 N CYS A 14 -21.176 -3.785 -3.300 1.00 0.00 N ATOM 199 CA CYS A 14 -20.652 -3.458 -4.610 1.00 0.00 C ATOM 200 C CYS A 14 -19.204 -3.927 -4.741 1.00 0.00 C ATOM 201 O CYS A 14 -18.799 -4.452 -5.779 1.00 0.00 O ATOM 202 CB CYS A 14 -20.749 -1.950 -4.809 1.00 0.00 C ATOM 203 SG CYS A 14 -22.258 -1.411 -5.648 1.00 0.00 S ATOM 0 H CYS A 14 -20.768 -3.240 -2.541 1.00 0.00 H new ATOM 0 HA CYS A 14 -21.235 -3.967 -5.378 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.693 -1.462 -3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -19.886 -1.614 -5.385 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.352 -0.116 -5.582 1.00 0.00 H new ATOM 209 N ALA A 15 -18.445 -3.765 -3.662 1.00 0.00 N ATOM 210 CA ALA A 15 -17.026 -4.101 -3.647 1.00 0.00 C ATOM 211 C ALA A 15 -16.793 -5.604 -3.769 1.00 0.00 C ATOM 212 O ALA A 15 -15.719 -6.035 -4.180 1.00 0.00 O ATOM 213 CB ALA A 15 -16.383 -3.571 -2.374 1.00 0.00 C ATOM 0 H ALA A 15 -18.795 -3.399 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.564 -3.629 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.323 -3.825 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.497 -2.488 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.868 -4.020 -1.507 1.00 0.00 H new ATOM 219 N ALA A 16 -17.801 -6.398 -3.415 1.00 0.00 N ATOM 220 CA ALA A 16 -17.680 -7.851 -3.456 1.00 0.00 C ATOM 221 C ALA A 16 -17.393 -8.344 -4.871 1.00 0.00 C ATOM 222 O ALA A 16 -16.451 -9.107 -5.094 1.00 0.00 O ATOM 223 CB ALA A 16 -18.944 -8.506 -2.918 1.00 0.00 C ATOM 0 H ALA A 16 -18.709 -6.059 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.839 -8.132 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.836 -9.590 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.105 -8.193 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.797 -8.205 -3.526 1.00 0.00 H new ATOM 229 N HIS A 17 -18.195 -7.889 -5.826 1.00 0.00 N ATOM 230 CA HIS A 17 -18.031 -8.305 -7.215 1.00 0.00 C ATOM 231 C HIS A 17 -16.759 -7.713 -7.800 1.00 0.00 C ATOM 232 O HIS A 17 -16.111 -8.327 -8.643 1.00 0.00 O ATOM 233 CB HIS A 17 -19.238 -7.894 -8.054 1.00 0.00 C ATOM 234 CG HIS A 17 -20.055 -9.057 -8.524 1.00 0.00 C ATOM 235 ND1 HIS A 17 -21.312 -9.330 -8.040 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.785 -10.025 -9.433 1.00 0.00 C ATOM 237 CE1 HIS A 17 -21.784 -10.412 -8.629 1.00 0.00 C ATOM 238 NE2 HIS A 17 -20.877 -10.856 -9.478 1.00 0.00 N ATOM 0 H HIS A 17 -18.962 -7.235 -5.666 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.955 -9.392 -7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.870 -7.228 -7.467 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.894 -7.327 -8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.880 -10.124 -10.014 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -22.750 -10.859 -8.447 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -20.971 -11.681 -10.070 1.00 0.00 H new ATOM 247 N VAL A 18 -16.403 -6.522 -7.336 1.00 0.00 N ATOM 248 CA VAL A 18 -15.159 -5.886 -7.746 1.00 0.00 C ATOM 249 C VAL A 18 -13.967 -6.714 -7.273 1.00 0.00 C ATOM 250 O VAL A 18 -13.047 -6.992 -8.039 1.00 0.00 O ATOM 251 CB VAL A 18 -15.054 -4.448 -7.190 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.693 -3.839 -7.499 1.00 0.00 C ATOM 253 CG2 VAL A 18 -16.168 -3.582 -7.755 1.00 0.00 C ATOM 0 H VAL A 18 -16.958 -5.978 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.153 -5.830 -8.835 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.162 -4.493 -6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.647 -2.827 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.911 -4.447 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.545 -3.807 -8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.082 -2.572 -7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -16.088 -3.550 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.134 -4.002 -7.474 1.00 0.00 H new ATOM 263 N LYS A 19 -14.012 -7.129 -6.012 1.00 0.00 N ATOM 264 CA LYS A 19 -12.975 -7.982 -5.444 1.00 0.00 C ATOM 265 C LYS A 19 -12.917 -9.307 -6.192 1.00 0.00 C ATOM 266 O LYS A 19 -11.839 -9.836 -6.459 1.00 0.00 O ATOM 267 CB LYS A 19 -13.251 -8.225 -3.954 1.00 0.00 C ATOM 268 CG LYS A 19 -12.384 -9.309 -3.333 1.00 0.00 C ATOM 269 CD LYS A 19 -13.171 -10.158 -2.345 1.00 0.00 C ATOM 270 CE LYS A 19 -14.024 -11.200 -3.053 1.00 0.00 C ATOM 271 NZ LYS A 19 -13.627 -12.586 -2.692 1.00 0.00 N ATOM 0 H LYS A 19 -14.759 -6.887 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.012 -7.481 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.096 -7.294 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.299 -8.496 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.978 -9.946 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.536 -8.851 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.482 -10.655 -1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.810 -9.514 -1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.072 -11.045 -2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.937 -11.068 -4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.477 -13.177 -2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.016 -12.977 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.109 -12.575 -1.790 1.00 0.00 H new ATOM 285 N GLU A 20 -14.085 -9.827 -6.536 1.00 0.00 N ATOM 286 CA GLU A 20 -14.178 -11.069 -7.289 1.00 0.00 C ATOM 287 C GLU A 20 -13.521 -10.925 -8.657 1.00 0.00 C ATOM 288 O GLU A 20 -12.737 -11.784 -9.079 1.00 0.00 O ATOM 289 CB GLU A 20 -15.647 -11.474 -7.441 1.00 0.00 C ATOM 290 CG GLU A 20 -15.850 -12.928 -7.825 1.00 0.00 C ATOM 291 CD GLU A 20 -16.885 -13.097 -8.916 1.00 0.00 C ATOM 292 OE1 GLU A 20 -18.065 -12.758 -8.682 1.00 0.00 O ATOM 293 OE2 GLU A 20 -16.520 -13.567 -10.014 1.00 0.00 O ATOM 0 H GLU A 20 -14.985 -9.407 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.648 -11.849 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.165 -11.281 -6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.111 -10.841 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.902 -13.349 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.157 -13.494 -6.946 1.00 0.00 H new ATOM 300 N ALA A 21 -13.821 -9.825 -9.334 1.00 0.00 N ATOM 301 CA ALA A 21 -13.253 -9.555 -10.645 1.00 0.00 C ATOM 302 C ALA A 21 -11.749 -9.361 -10.542 1.00 0.00 C ATOM 303 O ALA A 21 -11.001 -9.718 -11.452 1.00 0.00 O ATOM 304 CB ALA A 21 -13.905 -8.328 -11.266 1.00 0.00 C ATOM 0 H ALA A 21 -14.457 -9.104 -8.994 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.448 -10.413 -11.289 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.468 -8.141 -12.247 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.976 -8.500 -11.373 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.739 -7.463 -10.624 1.00 0.00 H new ATOM 310 N LEU A 22 -11.315 -8.787 -9.426 1.00 0.00 N ATOM 311 CA LEU A 22 -9.897 -8.603 -9.157 1.00 0.00 C ATOM 312 C LEU A 22 -9.220 -9.950 -8.944 1.00 0.00 C ATOM 313 O LEU A 22 -8.126 -10.192 -9.444 1.00 0.00 O ATOM 314 CB LEU A 22 -9.692 -7.704 -7.936 1.00 0.00 C ATOM 315 CG LEU A 22 -9.739 -6.204 -8.227 1.00 0.00 C ATOM 316 CD1 LEU A 22 -10.198 -5.435 -6.998 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.375 -5.711 -8.690 1.00 0.00 C ATOM 0 H LEU A 22 -11.930 -8.440 -8.690 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.443 -8.117 -10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.457 -7.940 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.729 -7.942 -7.485 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.459 -6.029 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.225 -4.369 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.194 -5.770 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.504 -5.614 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.425 -4.641 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.637 -5.898 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.086 -6.240 -9.598 1.00 0.00 H new ATOM 329 N GLU A 23 -9.893 -10.827 -8.209 1.00 0.00 N ATOM 330 CA GLU A 23 -9.369 -12.154 -7.914 1.00 0.00 C ATOM 331 C GLU A 23 -9.403 -13.037 -9.152 1.00 0.00 C ATOM 332 O GLU A 23 -8.683 -14.035 -9.237 1.00 0.00 O ATOM 333 CB GLU A 23 -10.170 -12.800 -6.793 1.00 0.00 C ATOM 334 CG GLU A 23 -9.750 -12.328 -5.415 1.00 0.00 C ATOM 335 CD GLU A 23 -10.315 -13.191 -4.314 1.00 0.00 C ATOM 336 OE1 GLU A 23 -11.552 -13.220 -4.157 1.00 0.00 O ATOM 337 OE2 GLU A 23 -9.528 -13.836 -3.595 1.00 0.00 O ATOM 0 H GLU A 23 -10.810 -10.640 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.332 -12.046 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.228 -12.582 -6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.056 -13.883 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.662 -12.327 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.078 -11.299 -5.271 1.00 0.00 H new ATOM 344 N LYS A 24 -10.247 -12.664 -10.107 1.00 0.00 N ATOM 345 CA LYS A 24 -10.318 -13.367 -11.382 1.00 0.00 C ATOM 346 C LYS A 24 -9.102 -13.021 -12.232 1.00 0.00 C ATOM 347 O LYS A 24 -8.789 -13.705 -13.208 1.00 0.00 O ATOM 348 CB LYS A 24 -11.600 -12.999 -12.132 1.00 0.00 C ATOM 349 CG LYS A 24 -12.607 -14.133 -12.195 1.00 0.00 C ATOM 350 CD LYS A 24 -12.500 -14.913 -13.498 1.00 0.00 C ATOM 351 CE LYS A 24 -13.326 -16.188 -13.452 1.00 0.00 C ATOM 352 NZ LYS A 24 -12.793 -17.232 -14.368 1.00 0.00 N ATOM 0 H LYS A 24 -10.892 -11.878 -10.022 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.328 -14.439 -11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.062 -12.139 -11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.344 -12.693 -13.146 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.448 -14.807 -11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.615 -13.730 -12.094 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.837 -14.289 -14.326 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.456 -15.161 -13.690 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.341 -16.574 -12.433 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.357 -15.961 -13.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.386 -18.084 -14.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.803 -16.875 -15.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.818 -17.468 -14.095 1.00 0.00 H new ATOM 366 N VAL A 25 -8.429 -11.948 -11.849 1.00 0.00 N ATOM 367 CA VAL A 25 -7.204 -11.524 -12.500 1.00 0.00 C ATOM 368 C VAL A 25 -6.013 -12.261 -11.888 1.00 0.00 C ATOM 369 O VAL A 25 -5.809 -12.221 -10.675 1.00 0.00 O ATOM 370 CB VAL A 25 -7.008 -9.997 -12.361 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.627 -9.562 -12.833 1.00 0.00 C ATOM 372 CG2 VAL A 25 -8.088 -9.251 -13.126 1.00 0.00 C ATOM 0 H VAL A 25 -8.718 -11.347 -11.077 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.273 -11.765 -13.561 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.089 -9.750 -11.303 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.527 -8.483 -12.720 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.864 -10.062 -12.236 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.500 -9.830 -13.882 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.935 -8.177 -13.017 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.038 -9.520 -14.181 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.067 -9.520 -12.729 1.00 0.00 H new ATOM 382 N PRO A 26 -5.213 -12.947 -12.721 1.00 0.00 N ATOM 383 CA PRO A 26 -4.055 -13.721 -12.254 1.00 0.00 C ATOM 384 C PRO A 26 -2.974 -12.841 -11.632 1.00 0.00 C ATOM 385 O PRO A 26 -2.073 -13.333 -10.952 1.00 0.00 O ATOM 386 CB PRO A 26 -3.524 -14.396 -13.527 1.00 0.00 C ATOM 387 CG PRO A 26 -4.632 -14.295 -14.518 1.00 0.00 C ATOM 388 CD PRO A 26 -5.373 -13.034 -14.179 1.00 0.00 C ATOM 0 HA PRO A 26 -4.337 -14.424 -11.470 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.625 -13.898 -13.890 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.258 -15.436 -13.339 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.244 -14.258 -15.536 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.289 -15.162 -14.459 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.949 -12.167 -14.685 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.422 -13.091 -14.468 1.00 0.00 H new ATOM 396 N GLY A 27 -3.076 -11.538 -11.856 1.00 0.00 N ATOM 397 CA GLY A 27 -2.107 -10.611 -11.310 1.00 0.00 C ATOM 398 C GLY A 27 -2.367 -10.281 -9.851 1.00 0.00 C ATOM 399 O GLY A 27 -1.611 -9.530 -9.237 1.00 0.00 O ATOM 0 H GLY A 27 -3.816 -11.106 -12.409 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.108 -11.036 -11.409 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.122 -9.691 -11.894 1.00 0.00 H new ATOM 403 N VAL A 28 -3.436 -10.832 -9.296 1.00 0.00 N ATOM 404 CA VAL A 28 -3.771 -10.601 -7.899 1.00 0.00 C ATOM 405 C VAL A 28 -3.228 -11.722 -7.016 1.00 0.00 C ATOM 406 O VAL A 28 -3.152 -12.880 -7.434 1.00 0.00 O ATOM 407 CB VAL A 28 -5.305 -10.446 -7.712 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.944 -11.694 -7.115 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.615 -9.228 -6.856 1.00 0.00 C ATOM 0 H VAL A 28 -4.086 -11.442 -9.791 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.298 -9.668 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.738 -10.306 -8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.017 -11.536 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.769 -12.544 -7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.504 -11.896 -6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.694 -9.134 -6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.148 -9.343 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.225 -8.333 -7.341 1.00 0.00 H new ATOM 419 N GLN A 29 -2.813 -11.360 -5.813 1.00 0.00 N ATOM 420 CA GLN A 29 -2.386 -12.334 -4.822 1.00 0.00 C ATOM 421 C GLN A 29 -3.428 -12.430 -3.719 1.00 0.00 C ATOM 422 O GLN A 29 -3.842 -13.522 -3.332 1.00 0.00 O ATOM 423 CB GLN A 29 -1.031 -11.944 -4.226 1.00 0.00 C ATOM 424 CG GLN A 29 0.087 -11.845 -5.248 1.00 0.00 C ATOM 425 CD GLN A 29 1.455 -11.739 -4.604 1.00 0.00 C ATOM 426 OE1 GLN A 29 2.032 -10.656 -4.520 1.00 0.00 O ATOM 427 NE2 GLN A 29 1.979 -12.862 -4.140 1.00 0.00 N ATOM 0 H GLN A 29 -2.763 -10.391 -5.498 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.280 -13.303 -5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.131 -10.985 -3.718 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.754 -12.678 -3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.061 -12.721 -5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.081 -10.974 -5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.467 -13.739 -4.230 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.895 -12.850 -3.692 1.00 0.00 H new ATOM 436 N SER A 30 -3.864 -11.271 -3.234 1.00 0.00 N ATOM 437 CA SER A 30 -4.854 -11.202 -2.169 1.00 0.00 C ATOM 438 C SER A 30 -5.610 -9.877 -2.251 1.00 0.00 C ATOM 439 O SER A 30 -5.000 -8.819 -2.422 1.00 0.00 O ATOM 440 CB SER A 30 -4.171 -11.345 -0.802 1.00 0.00 C ATOM 441 OG SER A 30 -2.755 -11.316 -0.925 1.00 0.00 O ATOM 0 H SER A 30 -3.543 -10.362 -3.566 1.00 0.00 H new ATOM 0 HA SER A 30 -5.564 -12.021 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.497 -10.539 -0.144 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.478 -12.281 -0.336 1.00 0.00 H new ATOM 0 HG SER A 30 -2.348 -11.407 -0.038 1.00 0.00 H new ATOM 447 N ALA A 31 -6.931 -9.935 -2.150 1.00 0.00 N ATOM 448 CA ALA A 31 -7.756 -8.742 -2.284 1.00 0.00 C ATOM 449 C ALA A 31 -8.614 -8.523 -1.043 1.00 0.00 C ATOM 450 O ALA A 31 -9.543 -9.288 -0.772 1.00 0.00 O ATOM 451 CB ALA A 31 -8.636 -8.844 -3.524 1.00 0.00 C ATOM 0 H ALA A 31 -7.454 -10.794 -1.976 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.093 -7.884 -2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.247 -7.946 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.008 -8.943 -4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.284 -9.717 -3.440 1.00 0.00 H new ATOM 457 N LEU A 32 -8.301 -7.477 -0.287 1.00 0.00 N ATOM 458 CA LEU A 32 -9.068 -7.140 0.902 1.00 0.00 C ATOM 459 C LEU A 32 -9.622 -5.725 0.784 1.00 0.00 C ATOM 460 O LEU A 32 -8.926 -4.740 1.033 1.00 0.00 O ATOM 461 CB LEU A 32 -8.216 -7.281 2.172 1.00 0.00 C ATOM 462 CG LEU A 32 -6.701 -7.184 1.975 1.00 0.00 C ATOM 463 CD1 LEU A 32 -6.062 -6.452 3.142 1.00 0.00 C ATOM 464 CD2 LEU A 32 -6.088 -8.566 1.822 1.00 0.00 C ATOM 0 H LEU A 32 -7.521 -6.849 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.900 -7.840 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.521 -6.509 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.442 -8.242 2.633 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.511 -6.621 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.985 -6.391 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.476 -5.446 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.266 -6.993 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.011 -8.473 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.289 -9.154 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.524 -9.063 0.956 1.00 0.00 H new ATOM 476 N VAL A 33 -10.878 -5.627 0.388 1.00 0.00 N ATOM 477 CA VAL A 33 -11.519 -4.337 0.200 1.00 0.00 C ATOM 478 C VAL A 33 -12.127 -3.849 1.510 1.00 0.00 C ATOM 479 O VAL A 33 -12.711 -4.628 2.263 1.00 0.00 O ATOM 480 CB VAL A 33 -12.618 -4.403 -0.884 1.00 0.00 C ATOM 481 CG1 VAL A 33 -12.978 -3.009 -1.372 1.00 0.00 C ATOM 482 CG2 VAL A 33 -12.180 -5.278 -2.051 1.00 0.00 C ATOM 0 H VAL A 33 -11.477 -6.428 0.190 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.752 -3.636 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.505 -4.851 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.754 -3.079 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.345 -2.414 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.094 -2.532 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.971 -5.308 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.275 -4.865 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.980 -6.288 -1.693 1.00 0.00 H new ATOM 492 N SER A 34 -11.979 -2.563 1.782 1.00 0.00 N ATOM 493 CA SER A 34 -12.532 -1.961 2.981 1.00 0.00 C ATOM 494 C SER A 34 -13.905 -1.363 2.682 1.00 0.00 C ATOM 495 O SER A 34 -14.018 -0.210 2.253 1.00 0.00 O ATOM 496 CB SER A 34 -11.579 -0.891 3.513 1.00 0.00 C ATOM 497 OG SER A 34 -10.243 -1.168 3.128 1.00 0.00 O ATOM 0 H SER A 34 -11.475 -1.911 1.181 1.00 0.00 H new ATOM 0 HA SER A 34 -12.652 -2.729 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.876 0.087 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.647 -0.846 4.600 1.00 0.00 H new ATOM 0 HG SER A 34 -9.650 -0.470 3.477 1.00 0.00 H new ATOM 503 N TYR A 35 -14.942 -2.167 2.912 1.00 0.00 N ATOM 504 CA TYR A 35 -16.320 -1.800 2.611 1.00 0.00 C ATOM 505 C TYR A 35 -16.777 -0.505 3.312 1.00 0.00 C ATOM 506 O TYR A 35 -17.398 0.334 2.664 1.00 0.00 O ATOM 507 CB TYR A 35 -17.248 -3.002 2.896 1.00 0.00 C ATOM 508 CG TYR A 35 -18.135 -2.922 4.128 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.261 -2.110 4.140 1.00 0.00 C ATOM 510 CD2 TYR A 35 -17.833 -3.634 5.283 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.064 -2.017 5.260 1.00 0.00 C ATOM 512 CE2 TYR A 35 -18.632 -3.547 6.404 1.00 0.00 C ATOM 513 CZ TYR A 35 -19.768 -2.816 6.376 1.00 0.00 C ATOM 514 OH TYR A 35 -20.542 -2.650 7.504 1.00 0.00 O ATOM 0 H TYR A 35 -14.846 -3.099 3.316 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.381 -1.562 1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.890 -3.146 2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -16.627 -3.894 2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.514 -1.541 3.258 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.958 -4.266 5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -20.906 -1.341 5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.348 -4.065 7.308 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.235 -3.263 8.204 1.00 0.00 H new ATOM 524 N PRO A 36 -16.484 -0.287 4.618 1.00 0.00 N ATOM 525 CA PRO A 36 -16.957 0.907 5.320 1.00 0.00 C ATOM 526 C PRO A 36 -16.091 2.129 5.033 1.00 0.00 C ATOM 527 O PRO A 36 -16.429 3.246 5.416 1.00 0.00 O ATOM 528 CB PRO A 36 -16.868 0.527 6.807 1.00 0.00 C ATOM 529 CG PRO A 36 -16.312 -0.863 6.861 1.00 0.00 C ATOM 530 CD PRO A 36 -15.694 -1.137 5.520 1.00 0.00 C ATOM 0 HA PRO A 36 -17.962 1.184 5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.225 1.223 7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.850 0.570 7.277 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.569 -0.951 7.654 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.099 -1.586 7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.636 -0.874 5.501 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.766 -2.190 5.249 1.00 0.00 H new ATOM 538 N LYS A 37 -14.976 1.908 4.352 1.00 0.00 N ATOM 539 CA LYS A 37 -14.027 2.972 4.073 1.00 0.00 C ATOM 540 C LYS A 37 -14.099 3.409 2.613 1.00 0.00 C ATOM 541 O LYS A 37 -13.657 4.501 2.258 1.00 0.00 O ATOM 542 CB LYS A 37 -12.612 2.495 4.397 1.00 0.00 C ATOM 543 CG LYS A 37 -12.160 2.819 5.811 1.00 0.00 C ATOM 544 CD LYS A 37 -11.202 1.764 6.339 1.00 0.00 C ATOM 545 CE LYS A 37 -10.263 2.337 7.385 1.00 0.00 C ATOM 546 NZ LYS A 37 -10.634 1.907 8.756 1.00 0.00 N ATOM 0 H LYS A 37 -14.707 0.997 3.982 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.282 3.828 4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.560 1.416 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.916 2.948 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.674 3.795 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.028 2.886 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.769 0.940 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.621 1.353 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.242 2.021 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.278 3.425 7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.969 2.319 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.599 2.230 8.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.595 0.870 8.817 1.00 0.00 H new ATOM 560 N GLY A 38 -14.645 2.544 1.767 1.00 0.00 N ATOM 561 CA GLY A 38 -14.695 2.827 0.344 1.00 0.00 C ATOM 562 C GLY A 38 -13.324 2.721 -0.296 1.00 0.00 C ATOM 563 O GLY A 38 -13.057 3.334 -1.333 1.00 0.00 O ATOM 0 H GLY A 38 -15.055 1.651 2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.379 2.131 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.094 3.829 0.186 1.00 0.00 H new ATOM 567 N THR A 39 -12.452 1.945 0.330 1.00 0.00 N ATOM 568 CA THR A 39 -11.087 1.785 -0.143 1.00 0.00 C ATOM 569 C THR A 39 -10.785 0.311 -0.385 1.00 0.00 C ATOM 570 O THR A 39 -11.512 -0.558 0.086 1.00 0.00 O ATOM 571 CB THR A 39 -10.084 2.358 0.876 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.791 3.036 1.922 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.120 3.328 0.212 1.00 0.00 C ATOM 0 H THR A 39 -12.669 1.413 1.173 1.00 0.00 H new ATOM 0 HA THR A 39 -10.985 2.334 -1.079 1.00 0.00 H new ATOM 0 HB THR A 39 -9.511 1.528 1.290 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.150 3.398 2.569 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.424 3.716 0.956 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.564 2.811 -0.570 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.680 4.154 -0.227 1.00 0.00 H new ATOM 581 N ALA A 40 -9.728 0.026 -1.128 1.00 0.00 N ATOM 582 CA ALA A 40 -9.360 -1.348 -1.424 1.00 0.00 C ATOM 583 C ALA A 40 -7.881 -1.588 -1.162 1.00 0.00 C ATOM 584 O ALA A 40 -7.029 -0.812 -1.598 1.00 0.00 O ATOM 585 CB ALA A 40 -9.705 -1.691 -2.865 1.00 0.00 C ATOM 0 H ALA A 40 -9.110 0.727 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.930 -2.000 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.423 -2.724 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.777 -1.569 -3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.163 -1.026 -3.537 1.00 0.00 H new ATOM 591 N GLN A 41 -7.584 -2.659 -0.441 1.00 0.00 N ATOM 592 CA GLN A 41 -6.212 -3.047 -0.174 1.00 0.00 C ATOM 593 C GLN A 41 -5.886 -4.308 -0.963 1.00 0.00 C ATOM 594 O GLN A 41 -6.299 -5.409 -0.594 1.00 0.00 O ATOM 595 CB GLN A 41 -6.013 -3.290 1.322 1.00 0.00 C ATOM 596 CG GLN A 41 -4.797 -2.592 1.900 1.00 0.00 C ATOM 597 CD GLN A 41 -3.497 -3.279 1.531 1.00 0.00 C ATOM 598 OE1 GLN A 41 -2.520 -2.627 1.168 1.00 0.00 O ATOM 599 NE2 GLN A 41 -3.474 -4.600 1.621 1.00 0.00 N ATOM 0 H GLN A 41 -8.283 -3.277 -0.029 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.541 -2.245 -0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.901 -2.954 1.856 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.922 -4.362 1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.772 -1.562 1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.887 -2.553 2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.306 -5.105 1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.624 -5.113 1.385 1.00 0.00 H new ATOM 608 N LEU A 42 -5.166 -4.145 -2.057 1.00 0.00 N ATOM 609 CA LEU A 42 -4.901 -5.259 -2.952 1.00 0.00 C ATOM 610 C LEU A 42 -3.415 -5.566 -3.035 1.00 0.00 C ATOM 611 O LEU A 42 -2.595 -4.678 -3.283 1.00 0.00 O ATOM 612 CB LEU A 42 -5.440 -4.960 -4.354 1.00 0.00 C ATOM 613 CG LEU A 42 -6.801 -4.259 -4.395 1.00 0.00 C ATOM 614 CD1 LEU A 42 -7.056 -3.676 -5.776 1.00 0.00 C ATOM 615 CD2 LEU A 42 -7.913 -5.223 -4.007 1.00 0.00 C ATOM 0 H LEU A 42 -4.755 -3.258 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.411 -6.132 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.714 -4.340 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.516 -5.898 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.790 -3.443 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.027 -3.181 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.277 -2.952 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.047 -4.476 -6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.872 -4.706 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.927 -6.061 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.738 -5.593 -2.997 1.00 0.00 H new ATOM 627 N ALA A 43 -3.075 -6.826 -2.823 1.00 0.00 N ATOM 628 CA ALA A 43 -1.720 -7.290 -3.026 1.00 0.00 C ATOM 629 C ALA A 43 -1.617 -7.899 -4.414 1.00 0.00 C ATOM 630 O ALA A 43 -2.209 -8.945 -4.685 1.00 0.00 O ATOM 631 CB ALA A 43 -1.327 -8.303 -1.959 1.00 0.00 C ATOM 0 H ALA A 43 -3.725 -7.547 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.031 -6.449 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.304 -8.637 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.395 -7.840 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.001 -9.159 -2.004 1.00 0.00 H new ATOM 637 N ILE A 44 -0.908 -7.223 -5.301 1.00 0.00 N ATOM 638 CA ILE A 44 -0.810 -7.659 -6.683 1.00 0.00 C ATOM 639 C ILE A 44 0.604 -8.111 -7.012 1.00 0.00 C ATOM 640 O ILE A 44 1.565 -7.701 -6.357 1.00 0.00 O ATOM 641 CB ILE A 44 -1.228 -6.540 -7.662 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.538 -5.221 -7.302 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.741 -6.370 -7.658 1.00 0.00 C ATOM 644 CD1 ILE A 44 0.154 -4.561 -8.474 1.00 0.00 C ATOM 0 H ILE A 44 -0.391 -6.369 -5.089 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.494 -8.500 -6.800 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.914 -6.826 -8.666 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.278 -4.533 -6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.194 -5.406 -6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.020 -5.578 -8.353 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.213 -7.304 -7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.075 -6.107 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.620 -3.632 -8.145 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.918 -5.230 -8.870 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.577 -4.344 -9.253 1.00 0.00 H new ATOM 656 N VAL A 45 0.714 -8.955 -8.026 1.00 0.00 N ATOM 657 CA VAL A 45 1.996 -9.469 -8.470 1.00 0.00 C ATOM 658 C VAL A 45 2.840 -8.338 -9.047 1.00 0.00 C ATOM 659 O VAL A 45 2.387 -7.622 -9.948 1.00 0.00 O ATOM 660 CB VAL A 45 1.818 -10.573 -9.538 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.165 -11.052 -10.061 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.019 -11.738 -8.972 1.00 0.00 C ATOM 0 H VAL A 45 -0.082 -9.301 -8.562 1.00 0.00 H new ATOM 0 HA VAL A 45 2.500 -9.902 -7.606 1.00 0.00 H new ATOM 0 HB VAL A 45 1.265 -10.147 -10.375 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.009 -11.828 -10.810 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.699 -10.215 -10.511 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.752 -11.456 -9.237 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.903 -12.506 -9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.545 -12.157 -8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.036 -11.387 -8.659 1.00 0.00 H new ATOM 672 N PRO A 46 4.056 -8.145 -8.506 1.00 0.00 N ATOM 673 CA PRO A 46 5.001 -7.138 -8.998 1.00 0.00 C ATOM 674 C PRO A 46 5.238 -7.269 -10.498 1.00 0.00 C ATOM 675 O PRO A 46 6.004 -8.119 -10.953 1.00 0.00 O ATOM 676 CB PRO A 46 6.282 -7.436 -8.216 1.00 0.00 C ATOM 677 CG PRO A 46 5.817 -8.107 -6.971 1.00 0.00 C ATOM 678 CD PRO A 46 4.600 -8.896 -7.359 1.00 0.00 C ATOM 0 HA PRO A 46 4.635 -6.121 -8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.953 -8.079 -8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.831 -6.521 -7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.592 -8.758 -6.565 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.579 -7.376 -6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.856 -9.919 -7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 46 3.882 -8.955 -6.541 1.00 0.00 H new ATOM 686 N GLY A 47 4.568 -6.419 -11.256 1.00 0.00 N ATOM 687 CA GLY A 47 4.607 -6.502 -12.698 1.00 0.00 C ATOM 688 C GLY A 47 3.325 -5.979 -13.295 1.00 0.00 C ATOM 689 O GLY A 47 3.318 -5.404 -14.385 1.00 0.00 O ATOM 0 H GLY A 47 3.990 -5.662 -10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.452 -5.928 -13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.761 -7.537 -13.004 1.00 0.00 H new ATOM 693 N THR A 48 2.234 -6.173 -12.569 1.00 0.00 N ATOM 694 CA THR A 48 0.946 -5.633 -12.967 1.00 0.00 C ATOM 695 C THR A 48 0.894 -4.138 -12.712 1.00 0.00 C ATOM 696 O THR A 48 1.172 -3.677 -11.604 1.00 0.00 O ATOM 697 CB THR A 48 -0.208 -6.316 -12.208 1.00 0.00 C ATOM 698 OG1 THR A 48 0.092 -7.705 -11.996 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.518 -6.187 -12.972 1.00 0.00 C ATOM 0 H THR A 48 2.217 -6.703 -11.698 1.00 0.00 H new ATOM 0 HA THR A 48 0.828 -5.827 -14.033 1.00 0.00 H new ATOM 0 HB THR A 48 -0.318 -5.817 -11.245 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.647 -8.129 -11.512 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.315 -6.678 -12.413 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.762 -5.132 -13.101 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.417 -6.658 -13.950 1.00 0.00 H new ATOM 707 N SER A 49 0.547 -3.386 -13.741 1.00 0.00 N ATOM 708 CA SER A 49 0.423 -1.951 -13.616 1.00 0.00 C ATOM 709 C SER A 49 -0.901 -1.602 -12.940 1.00 0.00 C ATOM 710 O SER A 49 -1.961 -2.043 -13.378 1.00 0.00 O ATOM 711 CB SER A 49 0.516 -1.283 -14.990 1.00 0.00 C ATOM 712 OG SER A 49 1.840 -1.340 -15.494 1.00 0.00 O ATOM 0 H SER A 49 0.346 -3.749 -14.673 1.00 0.00 H new ATOM 0 HA SER A 49 1.242 -1.579 -13.001 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.163 -1.777 -15.685 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.196 -0.244 -14.916 1.00 0.00 H new ATOM 0 HG SER A 49 1.874 -0.909 -16.373 1.00 0.00 H new ATOM 718 N PRO A 50 -0.858 -0.816 -11.852 1.00 0.00 N ATOM 719 CA PRO A 50 -2.056 -0.443 -11.086 1.00 0.00 C ATOM 720 C PRO A 50 -3.047 0.385 -11.894 1.00 0.00 C ATOM 721 O PRO A 50 -4.195 0.573 -11.486 1.00 0.00 O ATOM 722 CB PRO A 50 -1.504 0.373 -9.909 1.00 0.00 C ATOM 723 CG PRO A 50 -0.055 0.034 -9.847 1.00 0.00 C ATOM 724 CD PRO A 50 0.362 -0.250 -11.263 1.00 0.00 C ATOM 0 HA PRO A 50 -2.619 -1.325 -10.780 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.652 1.441 -10.066 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.009 0.114 -8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.522 0.859 -9.428 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.117 -0.832 -9.208 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.679 0.655 -11.781 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.196 -0.951 -11.307 1.00 0.00 H new ATOM 732 N ASP A 51 -2.612 0.856 -13.052 1.00 0.00 N ATOM 733 CA ASP A 51 -3.488 1.587 -13.949 1.00 0.00 C ATOM 734 C ASP A 51 -4.486 0.619 -14.550 1.00 0.00 C ATOM 735 O ASP A 51 -5.611 0.984 -14.888 1.00 0.00 O ATOM 736 CB ASP A 51 -2.672 2.269 -15.053 1.00 0.00 C ATOM 737 CG ASP A 51 -3.515 2.703 -16.239 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.033 3.841 -16.218 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.674 1.904 -17.187 1.00 0.00 O ATOM 0 H ASP A 51 -1.657 0.744 -13.391 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.018 2.362 -13.395 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.167 3.140 -14.637 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.896 1.585 -15.398 1.00 0.00 H new ATOM 744 N ALA A 52 -4.072 -0.638 -14.626 1.00 0.00 N ATOM 745 CA ALA A 52 -4.904 -1.672 -15.196 1.00 0.00 C ATOM 746 C ALA A 52 -6.004 -2.045 -14.222 1.00 0.00 C ATOM 747 O ALA A 52 -7.111 -2.386 -14.621 1.00 0.00 O ATOM 748 CB ALA A 52 -4.073 -2.892 -15.570 1.00 0.00 C ATOM 0 H ALA A 52 -3.162 -0.960 -14.298 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.361 -1.290 -16.109 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.722 -3.657 -15.997 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.317 -2.607 -16.302 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.585 -3.287 -14.679 1.00 0.00 H new ATOM 754 N LEU A 53 -5.692 -1.945 -12.937 1.00 0.00 N ATOM 755 CA LEU A 53 -6.656 -2.242 -11.891 1.00 0.00 C ATOM 756 C LEU A 53 -7.719 -1.156 -11.852 1.00 0.00 C ATOM 757 O LEU A 53 -8.918 -1.442 -11.826 1.00 0.00 O ATOM 758 CB LEU A 53 -5.963 -2.352 -10.527 1.00 0.00 C ATOM 759 CG LEU A 53 -4.655 -3.147 -10.520 1.00 0.00 C ATOM 760 CD1 LEU A 53 -3.918 -2.941 -9.207 1.00 0.00 C ATOM 761 CD2 LEU A 53 -4.925 -4.626 -10.753 1.00 0.00 C ATOM 0 H LEU A 53 -4.775 -1.659 -12.595 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.126 -3.200 -12.112 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.760 -1.346 -10.159 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.654 -2.815 -9.823 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.026 -2.782 -11.332 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.990 -3.513 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.691 -1.883 -9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.544 -3.280 -8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.983 -5.174 -10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.573 -5.006 -9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.413 -4.759 -11.718 1.00 0.00 H new ATOM 773 N THR A 54 -7.269 0.091 -11.884 1.00 0.00 N ATOM 774 CA THR A 54 -8.171 1.229 -11.874 1.00 0.00 C ATOM 775 C THR A 54 -9.100 1.184 -13.087 1.00 0.00 C ATOM 776 O THR A 54 -10.320 1.336 -12.960 1.00 0.00 O ATOM 777 CB THR A 54 -7.379 2.552 -11.863 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.266 2.447 -10.959 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.263 3.711 -11.438 1.00 0.00 C ATOM 0 H THR A 54 -6.280 0.338 -11.917 1.00 0.00 H new ATOM 0 HA THR A 54 -8.773 1.178 -10.967 1.00 0.00 H new ATOM 0 HB THR A 54 -7.018 2.740 -12.874 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.573 1.880 -11.358 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.680 4.632 -11.439 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.096 3.808 -12.135 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.648 3.526 -10.435 1.00 0.00 H new ATOM 787 N ALA A 55 -8.519 0.950 -14.258 1.00 0.00 N ATOM 788 CA ALA A 55 -9.293 0.854 -15.487 1.00 0.00 C ATOM 789 C ALA A 55 -10.201 -0.370 -15.478 1.00 0.00 C ATOM 790 O ALA A 55 -11.290 -0.340 -16.045 1.00 0.00 O ATOM 791 CB ALA A 55 -8.377 0.833 -16.700 1.00 0.00 C ATOM 0 H ALA A 55 -7.514 0.823 -14.381 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.927 1.738 -15.549 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.977 0.761 -17.607 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.787 1.749 -16.727 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.709 -0.026 -16.637 1.00 0.00 H new ATOM 797 N ALA A 56 -9.752 -1.442 -14.837 1.00 0.00 N ATOM 798 CA ALA A 56 -10.558 -2.651 -14.719 1.00 0.00 C ATOM 799 C ALA A 56 -11.806 -2.388 -13.892 1.00 0.00 C ATOM 800 O ALA A 56 -12.906 -2.797 -14.266 1.00 0.00 O ATOM 801 CB ALA A 56 -9.753 -3.784 -14.104 1.00 0.00 C ATOM 0 H ALA A 56 -8.836 -1.499 -14.392 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.861 -2.948 -15.723 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.377 -4.674 -14.027 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.889 -4.000 -14.733 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.414 -3.492 -13.110 1.00 0.00 H new ATOM 807 N VAL A 57 -11.637 -1.697 -12.767 1.00 0.00 N ATOM 808 CA VAL A 57 -12.765 -1.388 -11.897 1.00 0.00 C ATOM 809 C VAL A 57 -13.675 -0.333 -12.528 1.00 0.00 C ATOM 810 O VAL A 57 -14.900 -0.436 -12.447 1.00 0.00 O ATOM 811 CB VAL A 57 -12.308 -0.922 -10.503 1.00 0.00 C ATOM 812 CG1 VAL A 57 -13.504 -0.680 -9.594 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.363 -1.939 -9.880 1.00 0.00 C ATOM 0 H VAL A 57 -10.738 -1.344 -12.440 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.329 -2.313 -11.774 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.772 0.020 -10.620 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.156 -0.352 -8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.142 0.089 -10.029 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.072 -1.604 -9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.052 -1.591 -8.895 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.873 -2.897 -9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.486 -2.059 -10.516 1.00 0.00 H new ATOM 823 N ALA A 58 -13.085 0.678 -13.166 1.00 0.00 N ATOM 824 CA ALA A 58 -13.875 1.666 -13.891 1.00 0.00 C ATOM 825 C ALA A 58 -14.601 1.015 -15.062 1.00 0.00 C ATOM 826 O ALA A 58 -15.706 1.414 -15.425 1.00 0.00 O ATOM 827 CB ALA A 58 -12.995 2.811 -14.369 1.00 0.00 C ATOM 0 H ALA A 58 -12.077 0.831 -13.195 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.623 2.075 -13.211 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.604 3.537 -14.908 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.528 3.294 -13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.221 2.423 -15.032 1.00 0.00 H new ATOM 833 N GLY A 59 -13.983 -0.009 -15.623 1.00 0.00 N ATOM 834 CA GLY A 59 -14.589 -0.740 -16.715 1.00 0.00 C ATOM 835 C GLY A 59 -15.485 -1.858 -16.227 1.00 0.00 C ATOM 836 O GLY A 59 -15.885 -2.725 -17.003 1.00 0.00 O ATOM 0 H GLY A 59 -13.065 -0.350 -15.340 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.170 -0.054 -17.331 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.807 -1.155 -17.351 1.00 0.00 H new ATOM 840 N LEU A 60 -15.784 -1.851 -14.932 1.00 0.00 N ATOM 841 CA LEU A 60 -16.702 -2.820 -14.350 1.00 0.00 C ATOM 842 C LEU A 60 -18.094 -2.218 -14.246 1.00 0.00 C ATOM 843 O LEU A 60 -18.997 -2.793 -13.639 1.00 0.00 O ATOM 844 CB LEU A 60 -16.219 -3.259 -12.969 1.00 0.00 C ATOM 845 CG LEU A 60 -15.650 -4.674 -12.896 1.00 0.00 C ATOM 846 CD1 LEU A 60 -14.510 -4.734 -11.892 1.00 0.00 C ATOM 847 CD2 LEU A 60 -16.740 -5.669 -12.530 1.00 0.00 C ATOM 0 H LEU A 60 -15.401 -1.181 -14.264 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.737 -3.696 -14.998 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.454 -2.560 -12.630 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.052 -3.184 -12.270 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.259 -4.942 -13.878 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.114 -5.749 -11.851 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.720 -4.049 -12.198 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.878 -4.448 -10.907 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.316 -6.672 -12.483 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.161 -5.407 -11.559 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.525 -5.642 -13.285 1.00 0.00 H new ATOM 859 N GLY A 61 -18.249 -1.051 -14.843 1.00 0.00 N ATOM 860 CA GLY A 61 -19.520 -0.360 -14.808 1.00 0.00 C ATOM 861 C GLY A 61 -19.636 0.528 -13.592 1.00 0.00 C ATOM 862 O GLY A 61 -20.735 0.922 -13.199 1.00 0.00 O ATOM 0 H GLY A 61 -17.513 -0.565 -15.355 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.633 0.241 -15.710 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.331 -1.088 -14.806 1.00 0.00 H new ATOM 866 N TYR A 62 -18.493 0.828 -12.992 1.00 0.00 N ATOM 867 CA TYR A 62 -18.427 1.681 -11.825 1.00 0.00 C ATOM 868 C TYR A 62 -17.265 2.651 -11.972 1.00 0.00 C ATOM 869 O TYR A 62 -16.768 2.855 -13.077 1.00 0.00 O ATOM 870 CB TYR A 62 -18.257 0.834 -10.567 1.00 0.00 C ATOM 871 CG TYR A 62 -19.536 0.166 -10.108 1.00 0.00 C ATOM 872 CD1 TYR A 62 -20.661 0.917 -9.798 1.00 0.00 C ATOM 873 CD2 TYR A 62 -19.615 -1.216 -9.990 1.00 0.00 C ATOM 874 CE1 TYR A 62 -21.832 0.311 -9.383 1.00 0.00 C ATOM 875 CE2 TYR A 62 -20.782 -1.830 -9.578 1.00 0.00 C ATOM 876 CZ TYR A 62 -21.880 -1.058 -9.254 1.00 0.00 C ATOM 877 OH TYR A 62 -23.049 -1.675 -8.862 1.00 0.00 O ATOM 0 H TYR A 62 -17.586 0.483 -13.305 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.354 2.247 -11.737 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.504 0.068 -10.754 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.878 1.465 -9.763 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.621 1.993 -9.882 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -18.751 -1.820 -10.224 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -22.704 0.908 -9.161 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -20.835 -2.907 -9.510 1.00 0.00 H new ATOM 0 HH TYR A 62 -23.076 -1.733 -7.884 1.00 0.00 H new ATOM 887 N LYS A 63 -16.817 3.237 -10.874 1.00 0.00 N ATOM 888 CA LYS A 63 -15.709 4.171 -10.927 1.00 0.00 C ATOM 889 C LYS A 63 -14.614 3.746 -9.962 1.00 0.00 C ATOM 890 O LYS A 63 -14.885 3.431 -8.802 1.00 0.00 O ATOM 891 CB LYS A 63 -16.192 5.588 -10.596 1.00 0.00 C ATOM 892 CG LYS A 63 -15.091 6.637 -10.618 1.00 0.00 C ATOM 893 CD LYS A 63 -14.828 7.145 -12.025 1.00 0.00 C ATOM 894 CE LYS A 63 -13.398 6.867 -12.459 1.00 0.00 C ATOM 895 NZ LYS A 63 -12.556 8.091 -12.407 1.00 0.00 N ATOM 0 H LYS A 63 -17.202 3.083 -9.942 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.300 4.170 -11.938 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.966 5.873 -11.309 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.655 5.582 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.371 7.472 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.175 6.212 -10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.519 6.669 -12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.021 8.217 -12.068 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.965 6.101 -11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.397 6.468 -13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.588 7.860 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.954 8.813 -13.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.536 8.457 -11.434 1.00 0.00 H new ATOM 909 N ALA A 64 -13.384 3.702 -10.445 1.00 0.00 N ATOM 910 CA ALA A 64 -12.250 3.425 -9.586 1.00 0.00 C ATOM 911 C ALA A 64 -11.323 4.627 -9.496 1.00 0.00 C ATOM 912 O ALA A 64 -11.162 5.375 -10.462 1.00 0.00 O ATOM 913 CB ALA A 64 -11.481 2.219 -10.090 1.00 0.00 C ATOM 0 H ALA A 64 -13.147 3.854 -11.425 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.635 3.210 -8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.633 2.027 -9.432 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.136 1.348 -10.101 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.120 2.414 -11.100 1.00 0.00 H new ATOM 919 N THR A 65 -10.745 4.814 -8.325 1.00 0.00 N ATOM 920 CA THR A 65 -9.682 5.781 -8.129 1.00 0.00 C ATOM 921 C THR A 65 -8.572 5.127 -7.317 1.00 0.00 C ATOM 922 O THR A 65 -8.435 3.903 -7.327 1.00 0.00 O ATOM 923 CB THR A 65 -10.178 7.055 -7.410 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.578 6.951 -7.111 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.930 8.288 -8.266 1.00 0.00 C ATOM 0 H THR A 65 -10.999 4.299 -7.482 1.00 0.00 H new ATOM 0 HA THR A 65 -9.314 6.089 -9.108 1.00 0.00 H new ATOM 0 HB THR A 65 -9.620 7.154 -6.479 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.876 7.765 -6.654 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.287 9.174 -7.740 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.862 8.387 -8.460 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.463 8.188 -9.211 1.00 0.00 H new ATOM 933 N LEU A 66 -7.818 5.918 -6.577 1.00 0.00 N ATOM 934 CA LEU A 66 -6.740 5.388 -5.760 1.00 0.00 C ATOM 935 C LEU A 66 -6.506 6.289 -4.564 1.00 0.00 C ATOM 936 O LEU A 66 -6.391 7.505 -4.699 1.00 0.00 O ATOM 937 CB LEU A 66 -5.450 5.242 -6.576 1.00 0.00 C ATOM 938 CG LEU A 66 -5.018 6.481 -7.364 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.584 6.857 -7.019 1.00 0.00 C ATOM 940 CD2 LEU A 66 -5.159 6.235 -8.859 1.00 0.00 C ATOM 0 H LEU A 66 -7.931 6.930 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.031 4.398 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.643 4.966 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.576 4.415 -7.275 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.668 7.311 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.292 7.740 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.511 7.072 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.921 6.029 -7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.848 7.125 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.531 5.393 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.199 6.010 -9.094 1.00 0.00 H new ATOM 952 N ALA A 67 -6.460 5.687 -3.391 1.00 0.00 N ATOM 953 CA ALA A 67 -6.330 6.437 -2.160 1.00 0.00 C ATOM 954 C ALA A 67 -5.379 5.738 -1.206 1.00 0.00 C ATOM 955 O ALA A 67 -5.803 5.032 -0.286 1.00 0.00 O ATOM 956 CB ALA A 67 -7.691 6.633 -1.510 1.00 0.00 C ATOM 0 H ALA A 67 -6.511 4.676 -3.266 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.917 7.417 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.575 7.199 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.344 7.180 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.131 5.661 -1.287 1.00 0.00 H new