USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 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 9 SER OG : rot -165:sc= 0.902 USER MOD Set 1.2: A 10 CYS SG : rot 164:sc= -1.47 USER MOD Set 1.3: A 63 LYS NZ :NH3+ -150:sc= 0.845 (180deg=-0.108) USER MOD Set 1.4: A 64 TYR OH : rot -15:sc= 1.05 USER MOD Set 2.1: A 38 TYR OH : rot 36:sc= 1.77 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -179:sc= 0.647 (180deg=0) USER MOD Set 3.1: A 41 MET CE :methyl -172:sc= -0.379 (180deg=-0.507) USER MOD Set 3.2: A 76 MET CE :methyl 145:sc= -0.155 (180deg=-0.792) USER MOD Set 4.1: A 32 GLN : amide:sc= 1.54 K(o=2.7,f=-4.7!) USER MOD Set 4.2: A 40 LYS NZ :NH3+ -135:sc= 1.21 (180deg=0) USER MOD Set 5.1: A 13 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 7 TYR OH : rot 180:sc= -0.48 USER MOD Set 6.2: A 14 HIS : no HD1:sc= -1.38 X(o=-1.9,f=-1.6) USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0998) USER MOD Single : A 19 SER OG : rot -67:sc= 1.19 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc=-0.00306 (180deg=-0.114) USER MOD Single : A 25 SER OG : rot 86:sc= 0.709 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0284) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 1.15 (180deg=0.823) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0.786 (180deg=0.659) USER MOD Single : A 44 TYR OH : rot 102:sc= 0.734 USER MOD Single : A 48 SER OG : rot -25:sc= 0.132 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 0.721 (180deg=0.635) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 174:sc= -0.986 (180deg=-1.2) USER MOD Single : A 58 THR OG1 : rot -68:sc= 1.19 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0381) USER MOD Single : A 65 SER OG : rot 21:sc= 0.604 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -159:sc= 1.26 USER MOD Single : A 77 SER OG : rot 60:sc= 1.18 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0.409 (180deg=0.401) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 0.856 -13.505 -4.381 1.00 0.00 N ATOM 7 CA ASP A 2 2.101 -13.053 -3.769 1.00 0.00 C ATOM 8 C ASP A 2 2.115 -11.537 -3.546 1.00 0.00 C ATOM 9 O ASP A 2 1.908 -10.759 -4.477 1.00 0.00 O ATOM 10 CB ASP A 2 3.288 -13.472 -4.641 1.00 0.00 C ATOM 11 CG ASP A 2 4.569 -12.792 -4.172 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.810 -12.787 -2.945 1.00 0.00 O ATOM 13 OD2 ASP A 2 5.250 -12.224 -5.049 1.00 0.00 O ATOM 0 HA ASP A 2 2.181 -13.524 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.410 -14.554 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.092 -13.211 -5.681 1.00 0.00 H new ATOM 14 N GLY A 3 2.403 -11.130 -2.309 1.00 0.00 N ATOM 15 CA GLY A 3 2.486 -9.736 -1.922 1.00 0.00 C ATOM 16 C GLY A 3 3.530 -9.004 -2.758 1.00 0.00 C ATOM 17 O GLY A 3 3.225 -7.977 -3.355 1.00 0.00 O ATOM 0 H GLY A 3 2.587 -11.776 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.513 -9.260 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.742 -9.662 -0.865 1.00 0.00 H new ATOM 18 N ALA A 4 4.757 -9.529 -2.838 1.00 0.00 N ATOM 19 CA ALA A 4 5.804 -8.875 -3.617 1.00 0.00 C ATOM 20 C ALA A 4 5.332 -8.612 -5.048 1.00 0.00 C ATOM 21 O ALA A 4 5.530 -7.517 -5.570 1.00 0.00 O ATOM 22 CB ALA A 4 7.084 -9.716 -3.603 1.00 0.00 C ATOM 0 H ALA A 4 5.044 -10.393 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 4 6.026 -7.911 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.855 -9.215 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.429 -9.837 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.880 -10.696 -4.035 1.00 0.00 H new ATOM 23 N ALA A 5 4.685 -9.600 -5.675 1.00 0.00 N ATOM 24 CA ALA A 5 4.185 -9.454 -7.029 1.00 0.00 C ATOM 25 C ALA A 5 3.136 -8.348 -7.098 1.00 0.00 C ATOM 26 O ALA A 5 3.243 -7.461 -7.942 1.00 0.00 O ATOM 27 CB ALA A 5 3.609 -10.783 -7.527 1.00 0.00 C ATOM 0 H ALA A 5 4.499 -10.511 -5.256 1.00 0.00 H new ATOM 0 HA ALA A 5 5.014 -9.173 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.237 -10.660 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.389 -11.545 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.791 -11.091 -6.876 1.00 0.00 H new ATOM 28 N LEU A 6 2.128 -8.367 -6.220 1.00 0.00 N ATOM 29 CA LEU A 6 1.089 -7.371 -6.222 1.00 0.00 C ATOM 30 C LEU A 6 1.699 -5.977 -6.065 1.00 0.00 C ATOM 31 O LEU A 6 1.362 -5.058 -6.818 1.00 0.00 O ATOM 32 CB LEU A 6 0.148 -7.725 -5.069 1.00 0.00 C ATOM 33 CG LEU A 6 -0.660 -9.014 -5.303 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.215 -9.524 -3.968 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.820 -8.793 -6.273 1.00 0.00 C ATOM 0 H LEU A 6 2.023 -9.077 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 6 0.536 -7.358 -7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.732 -7.834 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.543 -6.898 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 6 0.015 -9.749 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.787 -10.437 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.390 -9.733 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.864 -8.765 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.363 -9.728 -6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.494 -8.038 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.432 -8.456 -7.234 1.00 0.00 H new ATOM 36 N TYR A 7 2.641 -5.830 -5.126 1.00 0.00 N ATOM 37 CA TYR A 7 3.256 -4.540 -4.852 1.00 0.00 C ATOM 38 C TYR A 7 4.012 -3.937 -6.048 1.00 0.00 C ATOM 39 O TYR A 7 4.333 -2.746 -6.031 1.00 0.00 O ATOM 40 CB TYR A 7 4.127 -4.638 -3.592 1.00 0.00 C ATOM 41 CG TYR A 7 4.251 -3.333 -2.821 1.00 0.00 C ATOM 42 CD1 TYR A 7 3.094 -2.621 -2.447 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.501 -2.900 -2.347 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.193 -1.407 -1.749 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.590 -1.719 -1.590 1.00 0.00 C ATOM 46 CZ TYR A 7 4.458 -0.907 -1.414 1.00 0.00 C ATOM 47 OH TYR A 7 4.592 0.349 -0.905 1.00 0.00 O ATOM 0 H TYR A 7 2.990 -6.593 -4.546 1.00 0.00 H new ATOM 0 HA TYR A 7 2.448 -3.831 -4.668 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.709 -5.399 -2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.123 -4.975 -3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.120 -3.014 -2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.391 -3.473 -2.564 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.302 -0.863 -1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.531 -1.435 -1.143 1.00 0.00 H new ATOM 0 HH TYR A 7 5.539 0.531 -0.729 1.00 0.00 H new ATOM 48 N LYS A 8 4.281 -4.707 -7.109 1.00 0.00 N ATOM 49 CA LYS A 8 4.949 -4.163 -8.289 1.00 0.00 C ATOM 50 C LYS A 8 4.162 -2.968 -8.850 1.00 0.00 C ATOM 51 O LYS A 8 4.759 -2.006 -9.329 1.00 0.00 O ATOM 52 CB LYS A 8 5.109 -5.253 -9.352 1.00 0.00 C ATOM 53 CG LYS A 8 6.138 -6.297 -8.900 1.00 0.00 C ATOM 54 CD LYS A 8 6.098 -7.505 -9.840 1.00 0.00 C ATOM 55 CE LYS A 8 7.208 -8.515 -9.522 1.00 0.00 C ATOM 56 NZ LYS A 8 8.545 -7.980 -9.833 1.00 0.00 N ATOM 0 H LYS A 8 4.048 -5.698 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 8 5.940 -3.812 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.149 -5.735 -9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.425 -4.806 -10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.136 -5.860 -8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.925 -6.612 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.128 -7.995 -9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.200 -7.166 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.162 -8.785 -8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.041 -9.429 -10.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.248 -8.743 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.547 -7.590 -10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.784 -7.228 -9.155 1.00 0.00 H new ATOM 57 N SER A 9 2.826 -2.998 -8.752 1.00 0.00 N ATOM 58 CA SER A 9 1.973 -1.910 -9.235 1.00 0.00 C ATOM 59 C SER A 9 2.108 -0.626 -8.402 1.00 0.00 C ATOM 60 O SER A 9 1.544 0.403 -8.765 1.00 0.00 O ATOM 61 CB SER A 9 0.503 -2.368 -9.231 1.00 0.00 C ATOM 62 OG SER A 9 0.073 -2.926 -7.996 1.00 0.00 O ATOM 0 H SER A 9 2.311 -3.774 -8.337 1.00 0.00 H new ATOM 0 HA SER A 9 2.302 -1.673 -10.247 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.133 -1.516 -9.474 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.361 -3.106 -10.020 1.00 0.00 H new ATOM 0 HG SER A 9 -0.772 -3.404 -8.129 1.00 0.00 H new ATOM 63 N CYS A 10 2.847 -0.681 -7.295 1.00 0.00 N ATOM 64 CA CYS A 10 3.017 0.380 -6.315 1.00 0.00 C ATOM 65 C CYS A 10 4.420 0.951 -6.377 1.00 0.00 C ATOM 66 O CYS A 10 4.619 2.162 -6.249 1.00 0.00 O ATOM 67 CB CYS A 10 2.739 -0.246 -4.945 1.00 0.00 C ATOM 68 SG CYS A 10 1.377 -1.450 -4.959 1.00 0.00 S ATOM 0 H CYS A 10 3.373 -1.519 -7.048 1.00 0.00 H new ATOM 0 HA CYS A 10 2.335 1.208 -6.510 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.644 -0.738 -4.589 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.506 0.546 -4.233 1.00 0.00 H new ATOM 0 HG CYS A 10 1.429 -2.177 -3.883 1.00 0.00 H new ATOM 69 N ILE A 11 5.389 0.057 -6.593 1.00 0.00 N ATOM 70 CA ILE A 11 6.804 0.369 -6.721 1.00 0.00 C ATOM 71 C ILE A 11 7.025 1.572 -7.650 1.00 0.00 C ATOM 72 O ILE A 11 7.967 2.329 -7.439 1.00 0.00 O ATOM 73 CB ILE A 11 7.541 -0.920 -7.151 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.378 -1.447 -5.977 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.468 -0.725 -8.356 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.532 -1.919 -4.789 1.00 0.00 C ATOM 0 H ILE A 11 5.196 -0.940 -6.686 1.00 0.00 H new ATOM 0 HA ILE A 11 7.226 0.687 -5.768 1.00 0.00 H new ATOM 0 HB ILE A 11 6.768 -1.629 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.997 -2.274 -6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.055 -0.661 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.951 -1.671 -8.600 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.886 -0.383 -9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.228 0.018 -8.114 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.187 -2.278 -3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.933 -1.088 -4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.873 -2.726 -5.109 1.00 0.00 H new ATOM 77 N GLY A 12 6.165 1.774 -8.654 1.00 0.00 N ATOM 78 CA GLY A 12 6.257 2.916 -9.554 1.00 0.00 C ATOM 79 C GLY A 12 6.331 4.245 -8.788 1.00 0.00 C ATOM 80 O GLY A 12 7.118 5.116 -9.150 1.00 0.00 O ATOM 0 H GLY A 12 5.387 1.147 -8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.140 2.811 -10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.392 2.927 -10.217 1.00 0.00 H new ATOM 81 N CYS A 13 5.514 4.406 -7.738 1.00 0.00 N ATOM 82 CA CYS A 13 5.496 5.614 -6.909 1.00 0.00 C ATOM 83 C CYS A 13 6.357 5.406 -5.666 1.00 0.00 C ATOM 84 O CYS A 13 7.143 6.274 -5.296 1.00 0.00 O ATOM 85 CB CYS A 13 4.075 5.956 -6.437 1.00 0.00 C ATOM 86 SG CYS A 13 3.030 6.922 -7.559 1.00 0.00 S ATOM 0 H CYS A 13 4.844 3.697 -7.440 1.00 0.00 H new ATOM 0 HA CYS A 13 5.881 6.429 -7.523 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.559 5.021 -6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.155 6.503 -5.498 1.00 0.00 H new ATOM 0 HG CYS A 13 1.869 7.119 -7.009 1.00 0.00 H new ATOM 87 N HIS A 14 6.183 4.257 -5.008 1.00 0.00 N ATOM 88 CA HIS A 14 6.875 3.916 -3.770 1.00 0.00 C ATOM 89 C HIS A 14 8.396 3.799 -3.949 1.00 0.00 C ATOM 90 O HIS A 14 9.144 3.982 -2.990 1.00 0.00 O ATOM 91 CB HIS A 14 6.187 2.673 -3.191 1.00 0.00 C ATOM 92 CG HIS A 14 4.853 3.057 -2.597 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.758 3.663 -1.353 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.570 3.072 -3.095 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.503 4.123 -1.231 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.696 3.664 -2.187 1.00 0.00 N ATOM 0 H HIS A 14 5.546 3.528 -5.329 1.00 0.00 H new ATOM 0 HA HIS A 14 6.792 4.724 -3.043 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.046 1.927 -3.973 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.818 2.219 -2.427 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.281 2.678 -4.058 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.183 4.791 -0.445 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.680 3.731 -2.241 1.00 0.00 H new ATOM 97 N GLY A 15 8.868 3.504 -5.162 1.00 0.00 N ATOM 98 CA GLY A 15 10.280 3.443 -5.490 1.00 0.00 C ATOM 99 C GLY A 15 11.032 2.258 -4.891 1.00 0.00 C ATOM 100 O GLY A 15 11.324 2.253 -3.693 1.00 0.00 O ATOM 0 H GLY A 15 8.261 3.298 -5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.384 3.409 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.756 4.364 -5.153 1.00 0.00 H new ATOM 101 N ALA A 16 11.385 1.290 -5.747 1.00 0.00 N ATOM 102 CA ALA A 16 12.157 0.078 -5.463 1.00 0.00 C ATOM 103 C ALA A 16 11.514 -0.819 -4.402 1.00 0.00 C ATOM 104 O ALA A 16 11.086 -1.925 -4.711 1.00 0.00 O ATOM 105 CB ALA A 16 13.592 0.459 -5.071 1.00 0.00 C ATOM 0 H ALA A 16 11.117 1.340 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 16 12.172 -0.515 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.164 -0.445 -4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.061 1.002 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.571 1.090 -4.183 1.00 0.00 H new ATOM 106 N ASP A 17 11.464 -0.343 -3.160 1.00 0.00 N ATOM 107 CA ASP A 17 10.898 -0.987 -2.005 1.00 0.00 C ATOM 108 C ASP A 17 10.561 0.109 -0.993 1.00 0.00 C ATOM 109 O ASP A 17 11.220 0.236 0.033 1.00 0.00 O ATOM 110 CB ASP A 17 11.869 -2.034 -1.432 1.00 0.00 C ATOM 111 CG ASP A 17 11.765 -3.378 -2.144 1.00 0.00 C ATOM 112 OD1 ASP A 17 10.659 -3.965 -2.096 1.00 0.00 O ATOM 113 OD2 ASP A 17 12.797 -3.806 -2.706 1.00 0.00 O ATOM 0 H ASP A 17 11.851 0.573 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 17 9.991 -1.533 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.890 -1.661 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.664 -2.172 -0.370 1.00 0.00 H new ATOM 114 N GLY A 18 9.563 0.937 -1.320 1.00 0.00 N ATOM 115 CA GLY A 18 9.097 2.029 -0.470 1.00 0.00 C ATOM 116 C GLY A 18 10.191 3.018 -0.077 1.00 0.00 C ATOM 117 O GLY A 18 10.082 3.650 0.973 1.00 0.00 O ATOM 0 H GLY A 18 9.050 0.863 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.304 2.567 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.658 1.610 0.435 1.00 0.00 H new ATOM 118 N SER A 19 11.224 3.179 -0.910 1.00 0.00 N ATOM 119 CA SER A 19 12.311 4.091 -0.586 1.00 0.00 C ATOM 120 C SER A 19 11.892 5.544 -0.808 1.00 0.00 C ATOM 121 O SER A 19 12.403 6.437 -0.134 1.00 0.00 O ATOM 122 CB SER A 19 13.558 3.750 -1.412 1.00 0.00 C ATOM 123 OG SER A 19 13.330 3.894 -2.800 1.00 0.00 O ATOM 0 H SER A 19 11.325 2.694 -1.801 1.00 0.00 H new ATOM 0 HA SER A 19 12.554 3.972 0.470 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.381 4.398 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.865 2.726 -1.199 1.00 0.00 H new ATOM 0 HG SER A 19 12.690 3.215 -3.099 1.00 0.00 H new ATOM 124 N LYS A 20 10.980 5.790 -1.752 1.00 0.00 N ATOM 125 CA LYS A 20 10.526 7.130 -2.070 1.00 0.00 C ATOM 126 C LYS A 20 9.254 7.460 -1.296 1.00 0.00 C ATOM 127 O LYS A 20 8.308 6.671 -1.259 1.00 0.00 O ATOM 128 CB LYS A 20 10.271 7.249 -3.577 1.00 0.00 C ATOM 129 CG LYS A 20 11.561 7.047 -4.381 1.00 0.00 C ATOM 130 CD LYS A 20 11.263 7.185 -5.880 1.00 0.00 C ATOM 131 CE LYS A 20 12.516 6.953 -6.734 1.00 0.00 C ATOM 132 NZ LYS A 20 13.023 5.575 -6.612 1.00 0.00 N ATOM 0 H LYS A 20 10.541 5.060 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 20 11.301 7.840 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.531 6.509 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.851 8.230 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.308 7.782 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.980 6.063 -4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.492 6.469 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.865 8.180 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.286 7.163 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.295 7.653 -6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.761 5.412 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.424 5.435 -5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.243 4.904 -6.761 1.00 0.00 H new ATOM 133 N ALA A 21 9.234 8.643 -0.679 1.00 0.00 N ATOM 134 CA ALA A 21 8.072 9.150 0.028 1.00 0.00 C ATOM 135 C ALA A 21 7.090 9.550 -1.072 1.00 0.00 C ATOM 136 O ALA A 21 7.037 10.709 -1.473 1.00 0.00 O ATOM 137 CB ALA A 21 8.484 10.329 0.916 1.00 0.00 C ATOM 0 H ALA A 21 10.034 9.276 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 21 7.616 8.421 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.610 10.708 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.230 9.997 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.905 11.121 0.297 1.00 0.00 H new ATOM 138 N ALA A 22 6.357 8.562 -1.590 1.00 0.00 N ATOM 139 CA ALA A 22 5.441 8.696 -2.709 1.00 0.00 C ATOM 140 C ALA A 22 4.658 10.008 -2.753 1.00 0.00 C ATOM 141 O ALA A 22 4.055 10.377 -1.751 1.00 0.00 O ATOM 142 CB ALA A 22 4.495 7.494 -2.733 1.00 0.00 C ATOM 0 H ALA A 22 6.392 7.611 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 22 6.059 8.720 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.805 7.590 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.074 6.577 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.930 7.457 -1.801 1.00 0.00 H new ATOM 143 N MET A 23 4.681 10.647 -3.937 1.00 0.00 N ATOM 144 CA MET A 23 4.071 11.882 -4.456 1.00 0.00 C ATOM 145 C MET A 23 3.483 12.883 -3.447 1.00 0.00 C ATOM 146 O MET A 23 3.711 14.085 -3.572 1.00 0.00 O ATOM 147 CB MET A 23 3.009 11.481 -5.490 1.00 0.00 C ATOM 148 CG MET A 23 3.560 10.576 -6.601 1.00 0.00 C ATOM 149 SD MET A 23 4.960 11.234 -7.540 1.00 0.00 S ATOM 150 CE MET A 23 5.273 9.836 -8.639 1.00 0.00 C ATOM 0 H MET A 23 5.232 10.225 -4.685 1.00 0.00 H new ATOM 0 HA MET A 23 4.901 12.448 -4.878 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.193 10.967 -4.983 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.589 12.381 -5.938 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.861 9.628 -6.154 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.751 10.357 -7.298 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.112 10.069 -9.294 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.510 8.953 -8.046 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.386 9.641 -9.241 1.00 0.00 H new ATOM 151 N GLY A 24 2.652 12.425 -2.516 1.00 0.00 N ATOM 152 CA GLY A 24 2.077 13.251 -1.466 1.00 0.00 C ATOM 153 C GLY A 24 3.141 13.644 -0.444 1.00 0.00 C ATOM 154 O GLY A 24 3.059 14.705 0.170 1.00 0.00 O ATOM 0 H GLY A 24 2.355 11.450 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.636 14.147 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.272 12.709 -0.970 1.00 0.00 H new ATOM 155 N SER A 25 4.143 12.771 -0.313 1.00 0.00 N ATOM 156 CA SER A 25 5.302 12.743 0.567 1.00 0.00 C ATOM 157 C SER A 25 5.011 11.599 1.534 1.00 0.00 C ATOM 158 O SER A 25 5.029 11.805 2.746 1.00 0.00 O ATOM 159 CB SER A 25 5.554 14.064 1.313 1.00 0.00 C ATOM 160 OG SER A 25 5.701 15.135 0.403 1.00 0.00 O ATOM 0 H SER A 25 4.154 11.948 -0.915 1.00 0.00 H new ATOM 0 HA SER A 25 6.218 12.600 -0.005 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.725 14.268 1.990 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.451 13.975 1.925 1.00 0.00 H new ATOM 0 HG SER A 25 4.818 15.498 0.179 1.00 0.00 H new ATOM 161 N ALA A 26 4.717 10.395 1.014 1.00 0.00 N ATOM 162 CA ALA A 26 4.345 9.298 1.876 1.00 0.00 C ATOM 163 C ALA A 26 5.331 8.985 2.987 1.00 0.00 C ATOM 164 O ALA A 26 6.541 8.979 2.776 1.00 0.00 O ATOM 165 CB ALA A 26 4.151 8.036 1.033 1.00 0.00 C ATOM 0 H ALA A 26 4.733 10.175 0.018 1.00 0.00 H new ATOM 0 HA ALA A 26 3.425 9.618 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.870 7.205 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.363 8.206 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.081 7.796 0.518 1.00 0.00 H new ATOM 166 N LYS A 27 4.793 8.699 4.174 1.00 0.00 N ATOM 167 CA LYS A 27 5.591 8.246 5.296 1.00 0.00 C ATOM 168 C LYS A 27 6.204 6.951 4.754 1.00 0.00 C ATOM 169 O LYS A 27 5.416 6.080 4.384 1.00 0.00 O ATOM 170 CB LYS A 27 4.692 7.961 6.508 1.00 0.00 C ATOM 171 CG LYS A 27 3.902 9.199 6.957 1.00 0.00 C ATOM 172 CD LYS A 27 3.044 8.915 8.201 1.00 0.00 C ATOM 173 CE LYS A 27 2.037 7.766 8.023 1.00 0.00 C ATOM 174 NZ LYS A 27 1.181 7.946 6.837 1.00 0.00 N ATOM 0 H LYS A 27 3.796 8.777 4.376 1.00 0.00 H new ATOM 0 HA LYS A 27 6.332 8.969 5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.996 7.160 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.305 7.605 7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.595 10.013 7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.260 9.534 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.703 8.680 9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.501 9.821 8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.577 6.823 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.411 7.695 8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.455 7.202 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.721 8.878 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.762 7.885 5.977 1.00 0.00 H new ATOM 175 N PRO A 28 7.537 6.832 4.620 1.00 0.00 N ATOM 176 CA PRO A 28 8.196 5.668 4.046 1.00 0.00 C ATOM 177 C PRO A 28 7.455 4.363 4.328 1.00 0.00 C ATOM 178 O PRO A 28 7.491 3.866 5.451 1.00 0.00 O ATOM 179 CB PRO A 28 9.612 5.687 4.621 1.00 0.00 C ATOM 180 CG PRO A 28 9.892 7.188 4.693 1.00 0.00 C ATOM 181 CD PRO A 28 8.536 7.778 5.093 1.00 0.00 C ATOM 0 HA PRO A 28 8.209 5.716 2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.663 5.213 5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.323 5.168 3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.664 7.419 5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.235 7.580 3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.470 7.909 6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.389 8.760 4.643 1.00 0.00 H new ATOM 182 N VAL A 29 6.755 3.827 3.314 1.00 0.00 N ATOM 183 CA VAL A 29 6.011 2.581 3.469 1.00 0.00 C ATOM 184 C VAL A 29 7.008 1.519 3.981 1.00 0.00 C ATOM 185 O VAL A 29 6.634 0.627 4.739 1.00 0.00 O ATOM 186 CB VAL A 29 5.318 2.167 2.155 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.630 0.811 2.320 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.175 3.130 1.815 1.00 0.00 C ATOM 0 H VAL A 29 6.693 4.241 2.384 1.00 0.00 H new ATOM 0 HA VAL A 29 5.201 2.699 4.188 1.00 0.00 H new ATOM 0 HB VAL A 29 6.093 2.156 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.145 0.533 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.371 0.057 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.882 0.876 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.701 2.818 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.439 3.119 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.571 4.139 1.700 1.00 0.00 H new ATOM 189 N LYS A 30 8.278 1.628 3.554 1.00 0.00 N ATOM 190 CA LYS A 30 9.418 0.807 3.942 1.00 0.00 C ATOM 191 C LYS A 30 9.659 0.859 5.451 1.00 0.00 C ATOM 192 O LYS A 30 10.506 1.596 5.957 1.00 0.00 O ATOM 193 CB LYS A 30 10.642 1.327 3.205 1.00 0.00 C ATOM 194 CG LYS A 30 11.866 0.416 3.330 1.00 0.00 C ATOM 195 CD LYS A 30 13.107 1.072 2.716 1.00 0.00 C ATOM 196 CE LYS A 30 14.328 0.153 2.845 1.00 0.00 C ATOM 197 NZ LYS A 30 14.112 -1.151 2.192 1.00 0.00 N ATOM 0 H LYS A 30 8.544 2.346 2.881 1.00 0.00 H new ATOM 0 HA LYS A 30 9.218 -0.232 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.396 1.448 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.894 2.315 3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.051 0.193 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.669 -0.533 2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.924 1.295 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.306 2.021 3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.196 0.640 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.554 -0.003 3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.026 -1.630 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.494 -1.739 2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.663 -1.005 1.265 1.00 0.00 H new ATOM 198 N GLY A 31 8.868 0.072 6.156 1.00 0.00 N ATOM 199 CA GLY A 31 8.934 -0.086 7.599 1.00 0.00 C ATOM 200 C GLY A 31 7.577 0.027 8.277 1.00 0.00 C ATOM 201 O GLY A 31 7.494 -0.173 9.489 1.00 0.00 O ATOM 0 H GLY A 31 8.137 -0.495 5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.370 -1.058 7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.603 0.670 8.011 1.00 0.00 H new ATOM 202 N GLN A 32 6.512 0.377 7.546 1.00 0.00 N ATOM 203 CA GLN A 32 5.202 0.459 8.156 1.00 0.00 C ATOM 204 C GLN A 32 4.814 -0.968 8.616 1.00 0.00 C ATOM 205 O GLN A 32 5.213 -1.940 7.980 1.00 0.00 O ATOM 206 CB GLN A 32 4.208 1.116 7.188 1.00 0.00 C ATOM 207 CG GLN A 32 4.435 2.627 6.910 1.00 0.00 C ATOM 208 CD GLN A 32 3.283 3.237 6.087 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.168 2.745 6.212 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.478 4.275 5.256 1.00 0.00 N ATOM 0 H GLN A 32 6.540 0.602 6.551 1.00 0.00 H new ATOM 0 HA GLN A 32 5.194 1.101 9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.246 0.581 6.239 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.202 0.986 7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.528 3.161 7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.375 2.761 6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.409 4.680 5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.695 4.657 4.725 1.00 0.00 H new ATOM 211 N GLY A 33 4.050 -1.094 9.712 1.00 0.00 N ATOM 212 CA GLY A 33 3.671 -2.350 10.382 1.00 0.00 C ATOM 213 C GLY A 33 3.306 -3.575 9.521 1.00 0.00 C ATOM 214 O GLY A 33 4.177 -4.314 9.074 1.00 0.00 O ATOM 0 H GLY A 33 3.658 -0.278 10.181 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.497 -2.639 11.032 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.819 -2.135 11.027 1.00 0.00 H new ATOM 215 N ALA A 34 2.002 -3.849 9.388 1.00 0.00 N ATOM 216 CA ALA A 34 1.366 -4.932 8.620 1.00 0.00 C ATOM 217 C ALA A 34 -0.124 -4.791 8.878 1.00 0.00 C ATOM 218 O ALA A 34 -0.891 -4.524 7.962 1.00 0.00 O ATOM 219 CB ALA A 34 1.830 -6.347 8.987 1.00 0.00 C ATOM 0 H ALA A 34 1.303 -3.270 9.854 1.00 0.00 H new ATOM 0 HA ALA A 34 1.644 -4.826 7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.305 -7.074 8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.903 -6.433 8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.612 -6.540 10.037 1.00 0.00 H new ATOM 220 N GLU A 35 -0.529 -4.909 10.147 1.00 0.00 N ATOM 221 CA GLU A 35 -1.920 -4.704 10.529 1.00 0.00 C ATOM 222 C GLU A 35 -2.290 -3.267 10.136 1.00 0.00 C ATOM 223 O GLU A 35 -3.385 -3.005 9.652 1.00 0.00 O ATOM 224 CB GLU A 35 -2.086 -4.948 12.034 1.00 0.00 C ATOM 225 CG GLU A 35 -3.568 -4.935 12.431 1.00 0.00 C ATOM 226 CD GLU A 35 -3.760 -5.098 13.936 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.093 -5.988 14.506 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.577 -4.328 14.485 1.00 0.00 O ATOM 0 H GLU A 35 0.090 -5.145 10.922 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.585 -5.403 10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.642 -5.907 12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.549 -4.181 12.592 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.021 -3.998 12.107 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.090 -5.738 11.910 1.00 0.00 H new ATOM 229 N GLU A 36 -1.333 -2.353 10.334 1.00 0.00 N ATOM 230 CA GLU A 36 -1.402 -0.946 10.005 1.00 0.00 C ATOM 231 C GLU A 36 -1.709 -0.826 8.511 1.00 0.00 C ATOM 232 O GLU A 36 -2.770 -0.357 8.109 1.00 0.00 O ATOM 233 CB GLU A 36 -0.021 -0.345 10.346 1.00 0.00 C ATOM 234 CG GLU A 36 -0.049 1.015 11.050 1.00 0.00 C ATOM 235 CD GLU A 36 1.323 1.694 10.994 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.333 0.956 10.906 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.334 2.943 11.011 1.00 0.00 O ATOM 0 H GLU A 36 -0.439 -2.604 10.755 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.178 -0.417 10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.517 -1.051 10.979 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.550 -0.245 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.795 1.656 10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.351 0.884 12.089 1.00 0.00 H new ATOM 238 N LEU A 37 -0.747 -1.290 7.709 1.00 0.00 N ATOM 239 CA LEU A 37 -0.780 -1.306 6.255 1.00 0.00 C ATOM 240 C LEU A 37 -2.130 -1.839 5.769 1.00 0.00 C ATOM 241 O LEU A 37 -2.784 -1.236 4.925 1.00 0.00 O ATOM 242 CB LEU A 37 0.365 -2.203 5.758 1.00 0.00 C ATOM 243 CG LEU A 37 1.769 -1.602 5.944 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.827 -2.705 6.013 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.113 -0.730 4.745 1.00 0.00 C ATOM 0 H LEU A 37 0.117 -1.683 8.081 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.655 -0.297 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.318 -3.156 6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.211 -2.415 4.700 1.00 0.00 H new ATOM 0 HG LEU A 37 1.764 -1.025 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.812 -2.257 6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.612 -3.363 6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.812 -3.282 5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.108 -0.305 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.095 -1.335 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.383 0.075 4.659 1.00 0.00 H new ATOM 246 N TYR A 38 -2.544 -2.975 6.324 1.00 0.00 N ATOM 247 CA TYR A 38 -3.782 -3.659 6.007 1.00 0.00 C ATOM 248 C TYR A 38 -5.011 -2.821 6.331 1.00 0.00 C ATOM 249 O TYR A 38 -5.873 -2.663 5.472 1.00 0.00 O ATOM 250 CB TYR A 38 -3.807 -4.961 6.794 1.00 0.00 C ATOM 251 CG TYR A 38 -5.094 -5.755 6.697 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.416 -6.471 5.529 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.990 -5.742 7.781 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.606 -7.220 5.470 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.181 -6.481 7.717 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.478 -7.237 6.574 1.00 0.00 C ATOM 257 OH TYR A 38 -8.646 -7.937 6.541 1.00 0.00 O ATOM 0 H TYR A 38 -1.998 -3.460 7.037 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.816 -3.847 4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.986 -5.589 6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.618 -4.735 7.843 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.751 -6.446 4.679 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.761 -5.163 8.663 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.849 -7.780 4.579 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.870 -6.468 8.549 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.517 -8.764 6.031 1.00 0.00 H new ATOM 258 N LYS A 39 -5.134 -2.308 7.558 1.00 0.00 N ATOM 259 CA LYS A 39 -6.249 -1.511 7.965 1.00 0.00 C ATOM 260 C LYS A 39 -6.345 -0.278 7.071 1.00 0.00 C ATOM 261 O LYS A 39 -7.428 0.111 6.636 1.00 0.00 O ATOM 262 CB LYS A 39 -5.969 -1.138 9.420 1.00 0.00 C ATOM 263 CG LYS A 39 -6.642 -2.094 10.410 1.00 0.00 C ATOM 264 CD LYS A 39 -6.407 -1.613 11.849 1.00 0.00 C ATOM 265 CE LYS A 39 -7.283 -2.370 12.855 1.00 0.00 C ATOM 266 NZ LYS A 39 -6.966 -3.807 12.903 1.00 0.00 N ATOM 0 H LYS A 39 -4.441 -2.448 8.293 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.201 -2.034 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.893 -1.141 9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.319 -0.122 9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.711 -2.148 10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.243 -3.100 10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.357 -1.746 12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.619 -0.546 11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.150 -1.938 13.847 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.332 -2.240 12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.688 -4.303 13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.953 -4.192 11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.033 -3.942 13.342 1.00 0.00 H new ATOM 267 N LYS A 40 -5.194 0.325 6.777 1.00 0.00 N ATOM 268 CA LYS A 40 -5.128 1.511 5.966 1.00 0.00 C ATOM 269 C LYS A 40 -5.541 1.186 4.530 1.00 0.00 C ATOM 270 O LYS A 40 -6.337 1.916 3.940 1.00 0.00 O ATOM 271 CB LYS A 40 -3.717 2.067 6.128 1.00 0.00 C ATOM 272 CG LYS A 40 -3.608 2.721 7.517 1.00 0.00 C ATOM 273 CD LYS A 40 -2.340 3.556 7.702 1.00 0.00 C ATOM 274 CE LYS A 40 -1.048 2.742 7.634 1.00 0.00 C ATOM 275 NZ LYS A 40 0.112 3.611 7.892 1.00 0.00 N ATOM 0 H LYS A 40 -4.286 -0.007 7.102 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.830 2.286 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.981 1.269 6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.506 2.798 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.479 3.356 7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.635 1.942 8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.311 4.330 6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.388 4.063 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.078 1.936 8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.953 2.277 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.859 3.408 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.176 4.607 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.473 3.432 8.851 1.00 0.00 H new ATOM 276 N MET A 41 -5.047 0.081 3.964 1.00 0.00 N ATOM 277 CA MET A 41 -5.447 -0.313 2.628 1.00 0.00 C ATOM 278 C MET A 41 -6.934 -0.636 2.622 1.00 0.00 C ATOM 279 O MET A 41 -7.606 -0.267 1.674 1.00 0.00 O ATOM 280 CB MET A 41 -4.644 -1.507 2.130 1.00 0.00 C ATOM 281 CG MET A 41 -3.297 -1.045 1.575 1.00 0.00 C ATOM 282 SD MET A 41 -2.395 -2.327 0.683 1.00 0.00 S ATOM 283 CE MET A 41 -2.068 -3.449 2.052 1.00 0.00 C ATOM 0 H MET A 41 -4.377 -0.545 4.412 1.00 0.00 H new ATOM 0 HA MET A 41 -5.248 0.517 1.951 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.486 -2.213 2.945 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.203 -2.033 1.356 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.461 -0.199 0.908 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.680 -0.686 2.399 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.393 -4.239 1.722 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.608 -2.898 2.872 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.005 -3.891 2.392 1.00 0.00 H new ATOM 284 N LYS A 42 -7.471 -1.310 3.640 1.00 0.00 N ATOM 285 CA LYS A 42 -8.901 -1.584 3.692 1.00 0.00 C ATOM 286 C LYS A 42 -9.632 -0.237 3.655 1.00 0.00 C ATOM 287 O LYS A 42 -10.598 -0.064 2.915 1.00 0.00 O ATOM 288 CB LYS A 42 -9.230 -2.409 4.942 1.00 0.00 C ATOM 289 CG LYS A 42 -10.687 -2.892 4.918 1.00 0.00 C ATOM 290 CD LYS A 42 -11.039 -3.759 6.135 1.00 0.00 C ATOM 291 CE LYS A 42 -10.225 -5.058 6.168 1.00 0.00 C ATOM 292 NZ LYS A 42 -10.713 -5.982 7.206 1.00 0.00 N ATOM 0 H LYS A 42 -6.940 -1.672 4.432 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.228 -2.180 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.560 -3.267 5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.058 -1.807 5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.352 -2.029 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.862 -3.463 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.856 -3.193 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.102 -3.998 6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.277 -5.545 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.176 -4.825 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.127 -6.841 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.656 -5.521 8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.701 -6.237 7.007 1.00 0.00 H new ATOM 293 N GLY A 43 -9.136 0.728 4.431 1.00 0.00 N ATOM 294 CA GLY A 43 -9.676 2.072 4.463 1.00 0.00 C ATOM 295 C GLY A 43 -9.628 2.715 3.073 1.00 0.00 C ATOM 296 O GLY A 43 -10.556 3.420 2.691 1.00 0.00 O ATOM 0 H GLY A 43 -8.342 0.589 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.705 2.046 4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.109 2.679 5.169 1.00 0.00 H new ATOM 297 N TYR A 44 -8.551 2.523 2.307 1.00 0.00 N ATOM 298 CA TYR A 44 -8.468 3.084 0.962 1.00 0.00 C ATOM 299 C TYR A 44 -9.324 2.288 -0.025 1.00 0.00 C ATOM 300 O TYR A 44 -9.848 2.879 -0.963 1.00 0.00 O ATOM 301 CB TYR A 44 -7.018 3.107 0.471 1.00 0.00 C ATOM 302 CG TYR A 44 -6.119 4.145 1.115 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.508 5.500 1.165 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.814 3.787 1.499 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.637 6.468 1.692 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.922 4.771 1.950 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.335 6.104 2.070 1.00 0.00 C ATOM 308 OH TYR A 44 -3.482 7.006 2.624 1.00 0.00 O ATOM 0 H TYR A 44 -7.732 1.987 2.595 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.847 4.105 1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.582 2.122 0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.022 3.275 -0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.480 5.794 0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.499 2.755 1.447 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.968 7.490 1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.909 4.499 2.207 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.440 6.864 3.593 1.00 0.00 H new ATOM 309 N ALA A 45 -9.455 0.971 0.166 1.00 0.00 N ATOM 310 CA ALA A 45 -10.220 0.064 -0.686 1.00 0.00 C ATOM 311 C ALA A 45 -11.589 0.690 -0.959 1.00 0.00 C ATOM 312 O ALA A 45 -12.014 0.780 -2.109 1.00 0.00 O ATOM 313 CB ALA A 45 -10.377 -1.310 -0.027 1.00 0.00 C ATOM 0 H ALA A 45 -9.012 0.492 0.950 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.687 -0.086 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.950 -1.965 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.393 -1.744 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.900 -1.200 0.923 1.00 0.00 H new ATOM 314 N ASP A 46 -12.269 1.120 0.114 1.00 0.00 N ATOM 315 CA ASP A 46 -13.566 1.782 0.018 1.00 0.00 C ATOM 316 C ASP A 46 -13.365 3.297 -0.130 1.00 0.00 C ATOM 317 O ASP A 46 -14.077 3.933 -0.903 1.00 0.00 O ATOM 318 CB ASP A 46 -14.451 1.426 1.226 1.00 0.00 C ATOM 319 CG ASP A 46 -14.212 2.299 2.454 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.056 2.329 2.925 1.00 0.00 O ATOM 321 OD2 ASP A 46 -15.188 2.942 2.893 1.00 0.00 O ATOM 0 H ASP A 46 -11.930 1.016 1.070 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.089 1.427 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.498 1.509 0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.277 0.384 1.495 1.00 0.00 H new ATOM 322 N GLY A 47 -12.401 3.870 0.603 1.00 0.00 N ATOM 323 CA GLY A 47 -12.069 5.290 0.584 1.00 0.00 C ATOM 324 C GLY A 47 -12.323 5.975 1.931 1.00 0.00 C ATOM 325 O GLY A 47 -12.342 7.203 1.996 1.00 0.00 O ATOM 0 H GLY A 47 -11.815 3.335 1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.020 5.410 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.657 5.786 -0.188 1.00 0.00 H new ATOM 326 N SER A 48 -12.511 5.206 3.012 1.00 0.00 N ATOM 327 CA SER A 48 -12.739 5.754 4.341 1.00 0.00 C ATOM 328 C SER A 48 -11.438 6.301 4.940 1.00 0.00 C ATOM 329 O SER A 48 -11.518 7.107 5.865 1.00 0.00 O ATOM 330 CB SER A 48 -13.361 4.696 5.263 1.00 0.00 C ATOM 331 OG SER A 48 -13.680 5.274 6.516 1.00 0.00 O ATOM 0 H SER A 48 -12.508 4.186 2.982 1.00 0.00 H new ATOM 0 HA SER A 48 -13.441 6.583 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.260 4.284 4.804 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.666 3.868 5.401 1.00 0.00 H new ATOM 0 HG SER A 48 -13.106 6.053 6.673 1.00 0.00 H new ATOM 332 N TYR A 49 -10.261 5.833 4.498 1.00 0.00 N ATOM 333 CA TYR A 49 -8.978 6.344 4.984 1.00 0.00 C ATOM 334 C TYR A 49 -8.468 7.341 3.945 1.00 0.00 C ATOM 335 O TYR A 49 -8.815 7.227 2.771 1.00 0.00 O ATOM 336 CB TYR A 49 -7.985 5.202 5.237 1.00 0.00 C ATOM 337 CG TYR A 49 -6.611 5.637 5.720 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.482 6.459 6.856 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.455 5.217 5.037 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.218 6.940 7.238 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.190 5.692 5.426 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.073 6.578 6.509 1.00 0.00 C ATOM 343 OH TYR A 49 -2.850 7.008 6.930 1.00 0.00 O ATOM 0 H TYR A 49 -10.175 5.095 3.799 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.097 6.844 5.945 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.415 4.525 5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.866 4.634 4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.356 6.720 7.435 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.540 4.527 4.211 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.127 7.590 8.095 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.307 5.375 4.891 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.158 6.673 6.322 1.00 0.00 H new ATOM 372 N LYS A 54 -4.875 10.027 -1.553 1.00 0.00 N ATOM 373 CA LYS A 54 -5.838 8.986 -1.224 1.00 0.00 C ATOM 374 C LYS A 54 -6.575 8.472 -2.462 1.00 0.00 C ATOM 375 O LYS A 54 -6.855 7.286 -2.552 1.00 0.00 O ATOM 376 CB LYS A 54 -6.852 9.469 -0.181 1.00 0.00 C ATOM 377 CG LYS A 54 -7.864 10.541 -0.624 1.00 0.00 C ATOM 378 CD LYS A 54 -8.951 10.779 0.438 1.00 0.00 C ATOM 379 CE LYS A 54 -9.938 9.600 0.538 1.00 0.00 C ATOM 380 NZ LYS A 54 -10.914 9.786 1.626 1.00 0.00 N ATOM 0 HA LYS A 54 -5.265 8.160 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.411 8.603 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.298 9.860 0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.339 11.476 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.332 10.234 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.480 10.939 1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.499 11.690 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.467 9.489 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.383 8.676 0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.423 8.894 1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.416 10.067 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.593 10.528 1.360 1.00 0.00 H new ATOM 381 N ALA A 55 -6.902 9.351 -3.416 1.00 0.00 N ATOM 382 CA ALA A 55 -7.621 8.962 -4.622 1.00 0.00 C ATOM 383 C ALA A 55 -6.804 7.961 -5.438 1.00 0.00 C ATOM 384 O ALA A 55 -7.318 6.924 -5.857 1.00 0.00 O ATOM 385 CB ALA A 55 -7.941 10.211 -5.449 1.00 0.00 C ATOM 0 H ALA A 55 -6.675 10.344 -3.369 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.555 8.475 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.479 9.922 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.559 10.889 -4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.013 10.712 -5.725 1.00 0.00 H new ATOM 386 N MET A 56 -5.525 8.277 -5.660 1.00 0.00 N ATOM 387 CA MET A 56 -4.622 7.413 -6.403 1.00 0.00 C ATOM 388 C MET A 56 -4.506 6.093 -5.645 1.00 0.00 C ATOM 389 O MET A 56 -4.565 5.017 -6.237 1.00 0.00 O ATOM 390 CB MET A 56 -3.247 8.077 -6.574 1.00 0.00 C ATOM 391 CG MET A 56 -3.288 9.351 -7.431 1.00 0.00 C ATOM 392 SD MET A 56 -3.844 10.872 -6.610 1.00 0.00 S ATOM 393 CE MET A 56 -3.922 11.982 -8.032 1.00 0.00 C ATOM 0 H MET A 56 -5.093 9.139 -5.328 1.00 0.00 H new ATOM 0 HA MET A 56 -5.013 7.232 -7.404 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.845 8.322 -5.591 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.561 7.363 -7.030 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.288 9.525 -7.828 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.942 9.166 -8.283 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.249 12.969 -7.706 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.935 12.059 -8.488 1.00 0.00 H new ATOM 0 HE3 MET A 56 -4.629 11.588 -8.762 1.00 0.00 H new ATOM 394 N MET A 57 -4.372 6.185 -4.320 1.00 0.00 N ATOM 395 CA MET A 57 -4.275 5.016 -3.471 1.00 0.00 C ATOM 396 C MET A 57 -5.516 4.140 -3.658 1.00 0.00 C ATOM 397 O MET A 57 -5.394 2.994 -4.074 1.00 0.00 O ATOM 398 CB MET A 57 -4.038 5.467 -2.020 1.00 0.00 C ATOM 399 CG MET A 57 -2.533 5.524 -1.721 1.00 0.00 C ATOM 400 SD MET A 57 -1.651 3.975 -2.048 1.00 0.00 S ATOM 401 CE MET A 57 -2.567 2.807 -1.019 1.00 0.00 C ATOM 0 H MET A 57 -4.329 7.071 -3.816 1.00 0.00 H new ATOM 0 HA MET A 57 -3.423 4.394 -3.748 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.486 6.448 -1.859 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.527 4.777 -1.333 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.085 6.317 -2.319 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.392 5.795 -0.675 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.202 1.796 -1.203 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.425 3.059 0.032 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.628 2.860 -1.264 1.00 0.00 H new ATOM 402 N THR A 58 -6.712 4.661 -3.389 1.00 0.00 N ATOM 403 CA THR A 58 -7.971 3.964 -3.586 1.00 0.00 C ATOM 404 C THR A 58 -8.002 3.351 -4.985 1.00 0.00 C ATOM 405 O THR A 58 -8.347 2.185 -5.123 1.00 0.00 O ATOM 406 CB THR A 58 -9.131 4.952 -3.375 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.166 5.322 -2.013 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.493 4.359 -3.757 1.00 0.00 C ATOM 0 H THR A 58 -6.830 5.604 -3.019 1.00 0.00 H new ATOM 0 HA THR A 58 -8.075 3.154 -2.864 1.00 0.00 H new ATOM 0 HB THR A 58 -8.953 5.811 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.435 4.551 -1.471 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.273 5.101 -3.587 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.484 4.076 -4.810 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.691 3.478 -3.146 1.00 0.00 H new ATOM 409 N ASN A 59 -7.629 4.100 -6.026 1.00 0.00 N ATOM 410 CA ASN A 59 -7.616 3.552 -7.379 1.00 0.00 C ATOM 411 C ASN A 59 -6.687 2.333 -7.468 1.00 0.00 C ATOM 412 O ASN A 59 -7.046 1.330 -8.080 1.00 0.00 O ATOM 413 CB ASN A 59 -7.192 4.632 -8.380 1.00 0.00 C ATOM 414 CG ASN A 59 -7.074 4.061 -9.790 1.00 0.00 C ATOM 415 OD1 ASN A 59 -5.979 3.921 -10.320 1.00 0.00 O ATOM 416 ND2 ASN A 59 -8.200 3.730 -10.415 1.00 0.00 N ATOM 0 H ASN A 59 -7.336 5.075 -5.957 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.624 3.221 -7.628 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.919 5.444 -8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.236 5.058 -8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.165 3.349 -11.360 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.098 3.857 -9.949 1.00 0.00 H new ATOM 417 N ALA A 60 -5.506 2.400 -6.845 1.00 0.00 N ATOM 418 CA ALA A 60 -4.540 1.310 -6.868 1.00 0.00 C ATOM 419 C ALA A 60 -4.980 0.123 -6.005 1.00 0.00 C ATOM 420 O ALA A 60 -4.645 -1.016 -6.309 1.00 0.00 O ATOM 421 CB ALA A 60 -3.192 1.833 -6.354 1.00 0.00 C ATOM 0 H ALA A 60 -5.198 3.213 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.459 0.956 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.460 1.026 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.848 2.645 -6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.309 2.201 -5.335 1.00 0.00 H new ATOM 422 N VAL A 61 -5.720 0.385 -4.928 1.00 0.00 N ATOM 423 CA VAL A 61 -6.139 -0.590 -3.929 1.00 0.00 C ATOM 424 C VAL A 61 -7.484 -1.269 -4.197 1.00 0.00 C ATOM 425 O VAL A 61 -7.593 -2.478 -4.010 1.00 0.00 O ATOM 426 CB VAL A 61 -6.138 0.162 -2.589 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.723 -0.604 -1.408 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.702 0.506 -2.186 1.00 0.00 C ATOM 0 H VAL A 61 -6.057 1.325 -4.722 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.445 -1.430 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.766 1.033 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.674 0.015 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.762 -0.858 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.151 -1.518 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.709 1.039 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.123 -0.412 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.250 1.136 -2.952 1.00 0.00 H new ATOM 429 N LYS A 62 -8.510 -0.528 -4.614 1.00 0.00 N ATOM 430 CA LYS A 62 -9.860 -1.041 -4.841 1.00 0.00 C ATOM 431 C LYS A 62 -9.886 -2.282 -5.742 1.00 0.00 C ATOM 432 O LYS A 62 -10.785 -3.109 -5.619 1.00 0.00 O ATOM 433 CB LYS A 62 -10.730 0.093 -5.402 1.00 0.00 C ATOM 434 CG LYS A 62 -12.221 -0.262 -5.379 1.00 0.00 C ATOM 435 CD LYS A 62 -13.062 0.965 -5.752 1.00 0.00 C ATOM 436 CE LYS A 62 -14.561 0.698 -5.573 1.00 0.00 C ATOM 437 NZ LYS A 62 -15.036 -0.399 -6.436 1.00 0.00 N ATOM 0 H LYS A 62 -8.423 0.470 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.267 -1.376 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.564 0.999 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.425 0.312 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.420 -1.075 -6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.503 -0.618 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.766 1.811 -5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.862 1.243 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.763 0.452 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.120 1.606 -5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.068 -0.489 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.792 -0.193 -7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.584 -1.290 -6.146 1.00 0.00 H new ATOM 438 N LYS A 63 -8.918 -2.418 -6.652 1.00 0.00 N ATOM 439 CA LYS A 63 -8.828 -3.568 -7.543 1.00 0.00 C ATOM 440 C LYS A 63 -8.562 -4.877 -6.779 1.00 0.00 C ATOM 441 O LYS A 63 -8.813 -5.954 -7.316 1.00 0.00 O ATOM 442 CB LYS A 63 -7.732 -3.306 -8.589 1.00 0.00 C ATOM 443 CG LYS A 63 -6.326 -3.237 -7.974 1.00 0.00 C ATOM 444 CD LYS A 63 -5.300 -2.615 -8.933 1.00 0.00 C ATOM 445 CE LYS A 63 -5.021 -3.467 -10.176 1.00 0.00 C ATOM 446 NZ LYS A 63 -4.422 -4.766 -9.823 1.00 0.00 N ATOM 0 H LYS A 63 -8.176 -1.731 -6.789 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.789 -3.695 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.757 -4.096 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.944 -2.369 -9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.362 -2.652 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.002 -4.241 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.658 -1.635 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.365 -2.455 -8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.951 -3.631 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.351 -2.927 -10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.804 -5.085 -10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.862 -4.665 -8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.176 -5.466 -9.671 1.00 0.00 H new ATOM 447 N TYR A 64 -8.013 -4.806 -5.560 1.00 0.00 N ATOM 448 CA TYR A 64 -7.697 -5.948 -4.737 1.00 0.00 C ATOM 449 C TYR A 64 -8.891 -6.335 -3.872 1.00 0.00 C ATOM 450 O TYR A 64 -10.028 -5.915 -4.064 1.00 0.00 O ATOM 451 CB TYR A 64 -6.430 -5.586 -3.943 1.00 0.00 C ATOM 452 CG TYR A 64 -5.214 -5.358 -4.819 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.873 -6.269 -5.838 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.484 -4.170 -4.685 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.874 -5.941 -6.771 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.505 -3.838 -5.631 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.186 -4.723 -6.673 1.00 0.00 C ATOM 458 OH TYR A 64 -2.289 -4.390 -7.651 1.00 0.00 O ATOM 0 H TYR A 64 -7.774 -3.918 -5.118 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.491 -6.840 -5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.621 -4.686 -3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.213 -6.386 -3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.380 -7.221 -5.902 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.676 -3.510 -3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.635 -6.630 -7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.990 -2.891 -5.558 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.077 -5.184 -8.184 1.00 0.00 H new ATOM 459 N SER A 65 -8.604 -7.219 -2.933 1.00 0.00 N ATOM 460 CA SER A 65 -9.517 -7.822 -1.979 1.00 0.00 C ATOM 461 C SER A 65 -8.693 -8.351 -0.817 1.00 0.00 C ATOM 462 O SER A 65 -7.493 -8.552 -0.977 1.00 0.00 O ATOM 463 CB SER A 65 -10.288 -8.937 -2.684 1.00 0.00 C ATOM 464 OG SER A 65 -11.261 -8.381 -3.547 1.00 0.00 O ATOM 0 H SER A 65 -7.651 -7.560 -2.808 1.00 0.00 H new ATOM 0 HA SER A 65 -10.241 -7.103 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.600 -9.563 -3.253 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.769 -9.580 -1.947 1.00 0.00 H new ATOM 0 HG SER A 65 -11.015 -7.458 -3.765 1.00 0.00 H new ATOM 465 N ASP A 66 -9.346 -8.573 0.326 1.00 0.00 N ATOM 466 CA ASP A 66 -8.769 -9.035 1.585 1.00 0.00 C ATOM 467 C ASP A 66 -7.504 -9.882 1.450 1.00 0.00 C ATOM 468 O ASP A 66 -6.492 -9.548 2.055 1.00 0.00 O ATOM 469 CB ASP A 66 -9.834 -9.824 2.355 1.00 0.00 C ATOM 470 CG ASP A 66 -9.241 -10.444 3.615 1.00 0.00 C ATOM 471 OD1 ASP A 66 -8.928 -9.657 4.533 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.086 -11.684 3.626 1.00 0.00 O ATOM 0 H ASP A 66 -10.353 -8.425 0.399 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.456 -8.138 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.660 -9.164 2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.245 -10.607 1.718 1.00 0.00 H new ATOM 473 N GLU A 67 -7.551 -10.967 0.675 1.00 0.00 N ATOM 474 CA GLU A 67 -6.394 -11.849 0.531 1.00 0.00 C ATOM 475 C GLU A 67 -5.218 -11.076 -0.068 1.00 0.00 C ATOM 476 O GLU A 67 -4.120 -11.053 0.483 1.00 0.00 O ATOM 477 CB GLU A 67 -6.778 -13.076 -0.319 1.00 0.00 C ATOM 478 CG GLU A 67 -5.727 -14.203 -0.292 1.00 0.00 C ATOM 479 CD GLU A 67 -4.654 -14.084 -1.376 1.00 0.00 C ATOM 480 OE1 GLU A 67 -3.633 -13.407 -1.129 1.00 0.00 O ATOM 481 OE2 GLU A 67 -4.845 -14.686 -2.456 1.00 0.00 O ATOM 0 H GLU A 67 -8.372 -11.254 0.142 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.079 -12.211 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.730 -13.470 0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.931 -12.759 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.242 -14.210 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.235 -15.161 -0.402 1.00 0.00 H new ATOM 482 N GLU A 68 -5.469 -10.425 -1.201 1.00 0.00 N ATOM 483 CA GLU A 68 -4.485 -9.643 -1.916 1.00 0.00 C ATOM 484 C GLU A 68 -3.950 -8.526 -1.012 1.00 0.00 C ATOM 485 O GLU A 68 -2.742 -8.332 -0.914 1.00 0.00 O ATOM 486 CB GLU A 68 -5.150 -9.065 -3.171 1.00 0.00 C ATOM 487 CG GLU A 68 -5.957 -10.058 -4.021 1.00 0.00 C ATOM 488 CD GLU A 68 -5.187 -11.333 -4.324 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.055 -11.219 -4.841 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.717 -12.415 -3.999 1.00 0.00 O ATOM 0 H GLU A 68 -6.384 -10.432 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.640 -10.266 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.813 -8.255 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.375 -8.625 -3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.879 -10.311 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.242 -9.580 -4.958 1.00 0.00 H new ATOM 491 N LEU A 69 -4.851 -7.796 -0.346 1.00 0.00 N ATOM 492 CA LEU A 69 -4.490 -6.704 0.545 1.00 0.00 C ATOM 493 C LEU A 69 -3.611 -7.209 1.691 1.00 0.00 C ATOM 494 O LEU A 69 -2.581 -6.613 2.007 1.00 0.00 O ATOM 495 CB LEU A 69 -5.768 -6.051 1.088 1.00 0.00 C ATOM 496 CG LEU A 69 -6.615 -5.335 0.027 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.803 -4.655 0.719 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.792 -4.280 -0.714 1.00 0.00 C ATOM 0 H LEU A 69 -5.857 -7.953 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.916 -5.962 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.378 -6.818 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.494 -5.334 1.862 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.963 -6.070 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.413 -4.142 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.407 -5.407 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.435 -3.932 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.417 -3.789 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.425 -3.540 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.947 -4.759 -1.208 1.00 0.00 H new ATOM 499 N LYS A 70 -4.018 -8.310 2.321 1.00 0.00 N ATOM 500 CA LYS A 70 -3.279 -8.911 3.413 1.00 0.00 C ATOM 501 C LYS A 70 -1.904 -9.346 2.913 1.00 0.00 C ATOM 502 O LYS A 70 -0.904 -9.051 3.560 1.00 0.00 O ATOM 503 CB LYS A 70 -4.091 -10.084 3.976 1.00 0.00 C ATOM 504 CG LYS A 70 -3.393 -10.768 5.158 1.00 0.00 C ATOM 505 CD LYS A 70 -4.359 -11.680 5.926 1.00 0.00 C ATOM 506 CE LYS A 70 -4.983 -12.753 5.024 1.00 0.00 C ATOM 507 NZ LYS A 70 -5.806 -13.694 5.803 1.00 0.00 N ATOM 0 H LYS A 70 -4.876 -8.808 2.081 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.123 -8.194 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.069 -9.725 4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.262 -10.816 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.548 -11.354 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.990 -10.012 5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.827 -12.162 6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.150 -11.076 6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.597 -12.277 4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.195 -13.299 4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.214 -14.408 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.214 -14.165 6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.572 -13.175 6.278 1.00 0.00 H new ATOM 508 N ALA A 71 -1.840 -10.001 1.748 1.00 0.00 N ATOM 509 CA ALA A 71 -0.583 -10.465 1.193 1.00 0.00 C ATOM 510 C ALA A 71 0.315 -9.266 0.936 1.00 0.00 C ATOM 511 O ALA A 71 1.502 -9.301 1.262 1.00 0.00 O ATOM 512 CB ALA A 71 -0.836 -11.254 -0.092 1.00 0.00 C ATOM 0 H ALA A 71 -2.655 -10.218 1.175 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.087 -11.132 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.114 -11.598 -0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.469 -12.114 0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.334 -10.614 -0.820 1.00 0.00 H new ATOM 513 N LEU A 72 -0.246 -8.198 0.358 1.00 0.00 N ATOM 514 CA LEU A 72 0.522 -7.002 0.113 1.00 0.00 C ATOM 515 C LEU A 72 1.101 -6.506 1.424 1.00 0.00 C ATOM 516 O LEU A 72 2.316 -6.450 1.559 1.00 0.00 O ATOM 517 CB LEU A 72 -0.401 -5.942 -0.475 1.00 0.00 C ATOM 518 CG LEU A 72 -0.392 -6.076 -1.987 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.376 -5.085 -2.552 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.976 -5.672 -2.505 1.00 0.00 C ATOM 0 H LEU A 72 -1.220 -8.150 0.059 1.00 0.00 H new ATOM 0 HA LEU A 72 1.334 -7.210 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.413 -6.066 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.069 -4.946 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.637 -7.100 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.387 -5.163 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.371 -5.298 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.082 -4.076 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.996 -5.764 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.181 -4.639 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.736 -6.323 -2.072 1.00 0.00 H new ATOM 521 N ALA A 73 0.245 -6.180 2.395 1.00 0.00 N ATOM 522 CA ALA A 73 0.695 -5.660 3.675 1.00 0.00 C ATOM 523 C ALA A 73 1.767 -6.565 4.288 1.00 0.00 C ATOM 524 O ALA A 73 2.783 -6.069 4.762 1.00 0.00 O ATOM 525 CB ALA A 73 -0.501 -5.545 4.624 1.00 0.00 C ATOM 0 H ALA A 73 -0.768 -6.270 2.312 1.00 0.00 H new ATOM 0 HA ALA A 73 1.135 -4.675 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.166 -5.155 5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.241 -4.869 4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.948 -6.529 4.767 1.00 0.00 H new ATOM 526 N ASP A 74 1.547 -7.884 4.299 1.00 0.00 N ATOM 527 CA ASP A 74 2.517 -8.853 4.795 1.00 0.00 C ATOM 528 C ASP A 74 3.850 -8.649 4.069 1.00 0.00 C ATOM 529 O ASP A 74 4.902 -8.727 4.699 1.00 0.00 O ATOM 530 CB ASP A 74 2.015 -10.292 4.591 1.00 0.00 C ATOM 531 CG ASP A 74 0.779 -10.648 5.416 1.00 0.00 C ATOM 532 OD1 ASP A 74 0.548 -9.974 6.444 1.00 0.00 O ATOM 533 OD2 ASP A 74 0.092 -11.609 5.007 1.00 0.00 O ATOM 0 H ASP A 74 0.683 -8.307 3.960 1.00 0.00 H new ATOM 0 HA ASP A 74 2.654 -8.697 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.788 -10.439 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.818 -10.984 4.844 1.00 0.00 H new ATOM 534 N TYR A 75 3.829 -8.403 2.752 1.00 0.00 N ATOM 535 CA TYR A 75 5.059 -8.132 2.017 1.00 0.00 C ATOM 536 C TYR A 75 5.619 -6.790 2.490 1.00 0.00 C ATOM 537 O TYR A 75 6.771 -6.747 2.917 1.00 0.00 O ATOM 538 CB TYR A 75 4.868 -8.142 0.495 1.00 0.00 C ATOM 539 CG TYR A 75 6.142 -7.739 -0.226 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.249 -8.607 -0.181 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.314 -6.421 -0.697 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.509 -8.172 -0.622 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.580 -5.987 -1.136 1.00 0.00 C ATOM 544 CZ TYR A 75 8.679 -6.862 -1.094 1.00 0.00 C ATOM 545 OH TYR A 75 9.909 -6.474 -1.535 1.00 0.00 O ATOM 0 H TYR A 75 2.982 -8.387 2.185 1.00 0.00 H new ATOM 0 HA TYR A 75 5.765 -8.936 2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.564 -9.138 0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.063 -7.459 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.129 -9.612 0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.474 -5.743 -0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.351 -8.849 -0.598 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.706 -4.980 -1.506 1.00 0.00 H new ATOM 0 HH TYR A 75 9.971 -5.496 -1.513 1.00 0.00 H new ATOM 546 N MET A 76 4.840 -5.696 2.421 1.00 0.00 N ATOM 547 CA MET A 76 5.331 -4.399 2.898 1.00 0.00 C ATOM 548 C MET A 76 5.916 -4.475 4.323 1.00 0.00 C ATOM 549 O MET A 76 6.824 -3.731 4.674 1.00 0.00 O ATOM 550 CB MET A 76 4.223 -3.351 2.847 1.00 0.00 C ATOM 551 CG MET A 76 3.948 -2.875 1.418 1.00 0.00 C ATOM 552 SD MET A 76 2.528 -3.625 0.605 1.00 0.00 S ATOM 553 CE MET A 76 1.236 -2.486 1.116 1.00 0.00 C ATOM 0 H MET A 76 3.891 -5.685 2.048 1.00 0.00 H new ATOM 0 HA MET A 76 6.139 -4.106 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.310 -3.768 3.272 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.502 -2.498 3.466 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.804 -1.795 1.436 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.834 -3.069 0.813 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.508 -2.377 0.312 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.740 -2.874 2.005 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.676 -1.514 1.341 1.00 0.00 H new ATOM 554 N SER A 77 5.407 -5.367 5.166 1.00 0.00 N ATOM 555 CA SER A 77 5.920 -5.550 6.520 1.00 0.00 C ATOM 556 C SER A 77 7.429 -5.849 6.516 1.00 0.00 C ATOM 557 O SER A 77 8.136 -5.493 7.456 1.00 0.00 O ATOM 558 CB SER A 77 5.160 -6.699 7.193 1.00 0.00 C ATOM 559 OG SER A 77 5.389 -6.705 8.586 1.00 0.00 O ATOM 0 H SER A 77 4.629 -5.983 4.931 1.00 0.00 H new ATOM 0 HA SER A 77 5.769 -4.625 7.076 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.093 -6.599 6.996 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.476 -7.650 6.764 1.00 0.00 H new ATOM 0 HG SER A 77 5.087 -5.856 8.971 1.00 0.00 H new ATOM 560 N LYS A 78 7.925 -6.504 5.460 1.00 0.00 N ATOM 561 CA LYS A 78 9.322 -6.885 5.294 1.00 0.00 C ATOM 562 C LYS A 78 10.016 -5.946 4.297 1.00 0.00 C ATOM 563 O LYS A 78 10.942 -6.365 3.604 1.00 0.00 O ATOM 564 CB LYS A 78 9.372 -8.340 4.793 1.00 0.00 C ATOM 565 CG LYS A 78 8.424 -9.263 5.573 1.00 0.00 C ATOM 566 CD LYS A 78 8.582 -10.716 5.108 1.00 0.00 C ATOM 567 CE LYS A 78 7.493 -11.611 5.713 1.00 0.00 C ATOM 568 NZ LYS A 78 6.163 -11.330 5.139 1.00 0.00 N ATOM 0 H LYS A 78 7.341 -6.790 4.674 1.00 0.00 H new ATOM 0 HA LYS A 78 9.846 -6.805 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.110 -8.366 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.392 -8.716 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.635 -9.192 6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.393 -8.940 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.531 -10.761 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.565 -11.089 5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.748 -12.657 5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.460 -11.463 6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.476 -12.023 5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.863 -10.372 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.211 -11.397 4.102 1.00 0.00 H new ATOM 569 N LEU A 79 9.549 -4.698 4.206 1.00 0.00 N ATOM 570 CA LEU A 79 10.055 -3.684 3.297 1.00 0.00 C ATOM 571 C LEU A 79 11.134 -2.844 3.975 1.00 0.00 C ATOM 572 O LEU A 79 12.279 -2.860 3.475 1.00 0.00 O ATOM 573 CB LEU A 79 8.846 -2.846 2.884 1.00 0.00 C ATOM 574 CG LEU A 79 8.963 -1.981 1.633 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.013 -2.878 0.412 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.682 -1.167 1.471 1.00 0.00 C ATOM 577 OXT LEU A 79 10.787 -2.168 4.969 1.00 0.00 O ATOM 0 H LEU A 79 8.781 -4.361 4.787 1.00 0.00 H new ATOM 0 HA LEU A 79 10.530 -4.124 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.004 -3.523 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.593 -2.192 3.719 1.00 0.00 H new ATOM 0 HG LEU A 79 9.849 -1.353 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.097 -2.266 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.876 -3.540 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.102 -3.474 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.756 -0.545 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.832 -1.842 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.542 -0.532 2.345 1.00 0.00 H new