USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=30 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 -170:sc= 0.723 USER MOD Set 1.2: A 10 CYS SG : rot 163:sc= -0.26 USER MOD Set 1.3: A 63 LYS NZ :NH3+ 140:sc= 1.64 (180deg=0.603) USER MOD Set 1.4: A 64 TYR OH : rot 30:sc= 0.962 USER MOD Set 2.1: A 41 MET CE :methyl -159:sc= -0.729 (180deg=-0.839) USER MOD Set 2.2: A 76 MET CE :methyl -140:sc= -0.256 (180deg=-1.64!) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 167:sc= 0.855 (180deg=0.53) USER MOD Set 3.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 38 TYR OH : rot 12:sc= 1.71 USER MOD Set 4.2: A 70 LYS NZ :NH3+ -144:sc= 0.858 (180deg=0.0457) USER MOD Set 5.1: A 7 TYR OH : rot 52:sc= -0.654 USER MOD Set 5.2: A 14 HIS : no HD1:sc= -0.276 X(o=-0.93,f=-0.85) USER MOD Single : A 8 LYS NZ :NH3+ 176:sc=-2.41e-05 (180deg=-0.0347) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00578) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 78:sc= 0.876 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc=-0.00151 (180deg=-0.0364) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0.74 (180deg=0.731) USER MOD Single : A 32 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 142:sc= 0.619 (180deg=0.0656) USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= 0.683 (180deg=0.321) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -46:sc= 0.597 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -173:sc= 0 (180deg=-0.0799) USER MOD Single : A 57 MET CE :methyl 177:sc= -1.09 (180deg=-1.21) USER MOD Single : A 58 THR OG1 : rot 83:sc= 1.16 USER MOD Single : A 59 ASN : amide:sc= -0.204! X(o=-0.2!,f=-0.051) USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= 1.27 (180deg=0.945) USER MOD Single : A 65 SER OG : rot -138:sc= 1.88 USER MOD Single : A 75 TYR OH : rot -154:sc= 1.09 USER MOD Single : A 77 SER OG : rot -40:sc= 0.393 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.853 (180deg=0.814) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 1.281 -13.625 -4.395 1.00 0.00 N ATOM 7 CA ASP A 2 2.551 -13.074 -3.937 1.00 0.00 C ATOM 8 C ASP A 2 2.479 -11.549 -3.857 1.00 0.00 C ATOM 9 O ASP A 2 2.466 -10.864 -4.876 1.00 0.00 O ATOM 10 CB ASP A 2 3.689 -13.489 -4.877 1.00 0.00 C ATOM 11 CG ASP A 2 5.004 -12.788 -4.527 1.00 0.00 C ATOM 12 OD1 ASP A 2 5.144 -12.358 -3.359 1.00 0.00 O ATOM 13 OD2 ASP A 2 5.841 -12.677 -5.446 1.00 0.00 O ATOM 0 HA ASP A 2 2.751 -13.471 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.828 -14.569 -4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.415 -13.253 -5.905 1.00 0.00 H new ATOM 14 N GLY A 3 2.475 -11.005 -2.644 1.00 0.00 N ATOM 15 CA GLY A 3 2.452 -9.571 -2.442 1.00 0.00 C ATOM 16 C GLY A 3 3.623 -8.872 -3.108 1.00 0.00 C ATOM 17 O GLY A 3 3.440 -7.788 -3.649 1.00 0.00 O ATOM 0 H GLY A 3 2.488 -11.548 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.520 -9.167 -2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.466 -9.357 -1.373 1.00 0.00 H new ATOM 18 N ALA A 4 4.812 -9.480 -3.122 1.00 0.00 N ATOM 19 CA ALA A 4 5.947 -8.863 -3.798 1.00 0.00 C ATOM 20 C ALA A 4 5.640 -8.650 -5.280 1.00 0.00 C ATOM 21 O ALA A 4 6.235 -7.776 -5.907 1.00 0.00 O ATOM 22 CB ALA A 4 7.199 -9.727 -3.624 1.00 0.00 C ATOM 0 H ALA A 4 5.008 -10.379 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 4 6.133 -7.888 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.040 -9.256 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.427 -9.827 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.022 -10.714 -4.052 1.00 0.00 H new ATOM 23 N ALA A 5 4.707 -9.428 -5.839 1.00 0.00 N ATOM 24 CA ALA A 5 4.303 -9.289 -7.217 1.00 0.00 C ATOM 25 C ALA A 5 3.133 -8.316 -7.267 1.00 0.00 C ATOM 26 O ALA A 5 2.992 -7.613 -8.265 1.00 0.00 O ATOM 27 CB ALA A 5 3.923 -10.651 -7.805 1.00 0.00 C ATOM 0 H ALA A 5 4.218 -10.169 -5.337 1.00 0.00 H new ATOM 0 HA ALA A 5 5.126 -8.902 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.621 -10.527 -8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.781 -11.322 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.096 -11.075 -7.235 1.00 0.00 H new ATOM 28 N LEU A 6 2.306 -8.221 -6.210 1.00 0.00 N ATOM 29 CA LEU A 6 1.194 -7.302 -6.282 1.00 0.00 C ATOM 30 C LEU A 6 1.723 -5.869 -6.163 1.00 0.00 C ATOM 31 O LEU A 6 1.320 -4.993 -6.933 1.00 0.00 O ATOM 32 CB LEU A 6 0.192 -7.668 -5.186 1.00 0.00 C ATOM 33 CG LEU A 6 -0.497 -9.031 -5.383 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.294 -9.381 -4.121 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.449 -9.033 -6.585 1.00 0.00 C ATOM 0 H LEU A 6 2.391 -8.749 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 6 0.673 -7.370 -7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.707 -7.671 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.572 -6.892 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 6 0.283 -9.769 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.784 -10.345 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.619 -9.433 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.047 -8.614 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.910 -10.016 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.224 -8.281 -6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.890 -8.803 -7.492 1.00 0.00 H new ATOM 36 N TYR A 7 2.679 -5.627 -5.254 1.00 0.00 N ATOM 37 CA TYR A 7 3.195 -4.285 -5.046 1.00 0.00 C ATOM 38 C TYR A 7 3.939 -3.686 -6.243 1.00 0.00 C ATOM 39 O TYR A 7 4.236 -2.490 -6.232 1.00 0.00 O ATOM 40 CB TYR A 7 4.055 -4.258 -3.779 1.00 0.00 C ATOM 41 CG TYR A 7 3.942 -2.944 -3.030 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.674 -2.527 -2.599 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.056 -2.129 -2.763 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.503 -1.293 -1.980 1.00 0.00 C ATOM 45 CE2 TYR A 7 4.882 -0.905 -2.092 1.00 0.00 C ATOM 46 CZ TYR A 7 3.590 -0.426 -1.835 1.00 0.00 C ATOM 47 OH TYR A 7 3.403 0.851 -1.406 1.00 0.00 O ATOM 0 H TYR A 7 3.101 -6.342 -4.661 1.00 0.00 H new ATOM 0 HA TYR A 7 2.326 -3.638 -4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.755 -5.074 -3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.097 -4.432 -4.047 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.821 -3.171 -2.749 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.042 -2.442 -3.072 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.530 -1.005 -1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.743 -0.335 -1.775 1.00 0.00 H new ATOM 0 HH TYR A 7 2.881 0.844 -0.577 1.00 0.00 H new ATOM 48 N LYS A 8 4.238 -4.471 -7.284 1.00 0.00 N ATOM 49 CA LYS A 8 4.903 -3.947 -8.474 1.00 0.00 C ATOM 50 C LYS A 8 4.127 -2.738 -9.020 1.00 0.00 C ATOM 51 O LYS A 8 4.727 -1.778 -9.496 1.00 0.00 O ATOM 52 CB LYS A 8 5.013 -5.043 -9.540 1.00 0.00 C ATOM 53 CG LYS A 8 5.982 -6.150 -9.105 1.00 0.00 C ATOM 54 CD LYS A 8 5.994 -7.328 -10.091 1.00 0.00 C ATOM 55 CE LYS A 8 6.397 -6.945 -11.521 1.00 0.00 C ATOM 56 NZ LYS A 8 7.708 -6.273 -11.566 1.00 0.00 N ATOM 0 H LYS A 8 4.029 -5.469 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 8 5.909 -3.622 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.028 -5.472 -9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.354 -4.607 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.988 -5.738 -9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.701 -6.509 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.682 -8.089 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.002 -7.779 -10.113 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.428 -7.841 -12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.639 -6.288 -11.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.972 -6.093 -12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.653 -5.370 -11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.425 -6.881 -11.122 1.00 0.00 H new ATOM 57 N SER A 9 2.795 -2.752 -8.886 1.00 0.00 N ATOM 58 CA SER A 9 1.915 -1.669 -9.319 1.00 0.00 C ATOM 59 C SER A 9 2.012 -0.422 -8.428 1.00 0.00 C ATOM 60 O SER A 9 1.223 0.505 -8.601 1.00 0.00 O ATOM 61 CB SER A 9 0.464 -2.184 -9.287 1.00 0.00 C ATOM 62 OG SER A 9 0.103 -2.771 -8.041 1.00 0.00 O ATOM 0 H SER A 9 2.293 -3.534 -8.465 1.00 0.00 H new ATOM 0 HA SER A 9 2.224 -1.374 -10.322 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.213 -1.357 -9.501 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.329 -2.919 -10.080 1.00 0.00 H new ATOM 0 HG SER A 9 -0.766 -3.216 -8.129 1.00 0.00 H new ATOM 63 N CYS A 10 2.971 -0.372 -7.500 1.00 0.00 N ATOM 64 CA CYS A 10 3.109 0.670 -6.497 1.00 0.00 C ATOM 65 C CYS A 10 4.538 1.181 -6.476 1.00 0.00 C ATOM 66 O CYS A 10 4.776 2.373 -6.270 1.00 0.00 O ATOM 67 CB CYS A 10 2.733 0.050 -5.150 1.00 0.00 C ATOM 68 SG CYS A 10 1.390 -1.180 -5.206 1.00 0.00 S ATOM 0 H CYS A 10 3.696 -1.086 -7.430 1.00 0.00 H new ATOM 0 HA CYS A 10 2.461 1.518 -6.717 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.619 -0.423 -4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.442 0.850 -4.469 1.00 0.00 H new ATOM 0 HG CYS A 10 1.403 -1.887 -4.115 1.00 0.00 H new ATOM 69 N ILE A 11 5.486 0.263 -6.701 1.00 0.00 N ATOM 70 CA ILE A 11 6.913 0.527 -6.787 1.00 0.00 C ATOM 71 C ILE A 11 7.187 1.790 -7.612 1.00 0.00 C ATOM 72 O ILE A 11 8.092 2.549 -7.275 1.00 0.00 O ATOM 73 CB ILE A 11 7.592 -0.716 -7.397 1.00 0.00 C ATOM 74 CG1 ILE A 11 7.561 -1.940 -6.460 1.00 0.00 C ATOM 75 CG2 ILE A 11 9.044 -0.416 -7.755 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.870 -1.653 -4.992 1.00 0.00 C ATOM 0 H ILE A 11 5.262 -0.723 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 11 7.324 0.713 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 11 7.020 -0.959 -8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.574 -2.398 -6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.278 -2.675 -6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.504 -1.306 -8.184 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.079 0.396 -8.481 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.587 -0.123 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.821 -2.581 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.870 -1.227 -4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.140 -0.946 -4.598 1.00 0.00 H new ATOM 77 N GLY A 12 6.414 2.027 -8.678 1.00 0.00 N ATOM 78 CA GLY A 12 6.553 3.213 -9.513 1.00 0.00 C ATOM 79 C GLY A 12 6.638 4.500 -8.681 1.00 0.00 C ATOM 80 O GLY A 12 7.427 5.386 -8.998 1.00 0.00 O ATOM 0 H GLY A 12 5.673 1.395 -8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.448 3.120 -10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.704 3.278 -10.194 1.00 0.00 H new ATOM 81 N CYS A 13 5.826 4.602 -7.621 1.00 0.00 N ATOM 82 CA CYS A 13 5.806 5.752 -6.722 1.00 0.00 C ATOM 83 C CYS A 13 6.604 5.454 -5.453 1.00 0.00 C ATOM 84 O CYS A 13 7.394 6.285 -5.010 1.00 0.00 O ATOM 85 CB CYS A 13 4.373 6.103 -6.301 1.00 0.00 C ATOM 86 SG CYS A 13 3.345 7.008 -7.487 1.00 0.00 S ATOM 0 H CYS A 13 5.157 3.876 -7.364 1.00 0.00 H new ATOM 0 HA CYS A 13 6.248 6.588 -7.264 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.859 5.174 -6.052 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.427 6.692 -5.386 1.00 0.00 H new ATOM 0 HG CYS A 13 2.170 7.218 -6.971 1.00 0.00 H new ATOM 87 N HIS A 14 6.388 4.279 -4.854 1.00 0.00 N ATOM 88 CA HIS A 14 7.013 3.908 -3.588 1.00 0.00 C ATOM 89 C HIS A 14 8.505 3.545 -3.686 1.00 0.00 C ATOM 90 O HIS A 14 9.150 3.422 -2.653 1.00 0.00 O ATOM 91 CB HIS A 14 6.155 2.832 -2.916 1.00 0.00 C ATOM 92 CG HIS A 14 4.819 3.352 -2.444 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.668 3.920 -1.189 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.566 3.387 -3.008 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.369 4.215 -1.033 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.634 3.884 -2.097 1.00 0.00 N ATOM 0 H HIS A 14 5.774 3.560 -5.236 1.00 0.00 H new ATOM 0 HA HIS A 14 7.037 4.793 -2.952 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.993 2.014 -3.618 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.699 2.420 -2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.335 3.074 -4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.962 4.671 -0.143 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.625 3.974 -2.216 1.00 0.00 H new ATOM 97 N GLY A 15 9.081 3.364 -4.875 1.00 0.00 N ATOM 98 CA GLY A 15 10.513 3.137 -5.051 1.00 0.00 C ATOM 99 C GLY A 15 11.108 1.782 -4.651 1.00 0.00 C ATOM 100 O GLY A 15 11.139 1.409 -3.476 1.00 0.00 O ATOM 0 H GLY A 15 8.559 3.371 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.744 3.300 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.039 3.907 -4.486 1.00 0.00 H new ATOM 101 N ALA A 16 11.674 1.104 -5.660 1.00 0.00 N ATOM 102 CA ALA A 16 12.379 -0.175 -5.615 1.00 0.00 C ATOM 103 C ALA A 16 11.560 -1.297 -4.976 1.00 0.00 C ATOM 104 O ALA A 16 11.041 -2.154 -5.687 1.00 0.00 O ATOM 105 CB ALA A 16 13.731 0.011 -4.911 1.00 0.00 C ATOM 0 H ALA A 16 11.645 1.474 -6.610 1.00 0.00 H new ATOM 0 HA ALA A 16 12.547 -0.495 -6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.258 -0.943 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.330 0.737 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.566 0.371 -3.895 1.00 0.00 H new ATOM 106 N ASP A 17 11.464 -1.286 -3.647 1.00 0.00 N ATOM 107 CA ASP A 17 10.763 -2.241 -2.822 1.00 0.00 C ATOM 108 C ASP A 17 9.547 -1.589 -2.155 1.00 0.00 C ATOM 109 O ASP A 17 8.554 -2.271 -1.912 1.00 0.00 O ATOM 110 CB ASP A 17 11.724 -2.880 -1.802 1.00 0.00 C ATOM 111 CG ASP A 17 12.887 -3.588 -2.489 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.892 -2.895 -2.762 1.00 0.00 O ATOM 113 OD2 ASP A 17 12.748 -4.804 -2.741 1.00 0.00 O ATOM 0 H ASP A 17 11.908 -0.555 -3.090 1.00 0.00 H new ATOM 0 HA ASP A 17 10.384 -3.046 -3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.110 -2.110 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.178 -3.593 -1.184 1.00 0.00 H new ATOM 114 N GLY A 18 9.626 -0.279 -1.899 1.00 0.00 N ATOM 115 CA GLY A 18 8.627 0.593 -1.299 1.00 0.00 C ATOM 116 C GLY A 18 9.243 1.502 -0.224 1.00 0.00 C ATOM 117 O GLY A 18 8.591 1.846 0.764 1.00 0.00 O ATOM 0 H GLY A 18 10.473 0.240 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.165 1.206 -2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.835 -0.011 -0.856 1.00 0.00 H new ATOM 118 N SER A 19 10.507 1.892 -0.409 1.00 0.00 N ATOM 119 CA SER A 19 11.268 2.694 0.541 1.00 0.00 C ATOM 120 C SER A 19 11.107 4.210 0.373 1.00 0.00 C ATOM 121 O SER A 19 11.387 4.958 1.306 1.00 0.00 O ATOM 122 CB SER A 19 12.746 2.320 0.375 1.00 0.00 C ATOM 123 OG SER A 19 12.873 0.926 0.162 1.00 0.00 O ATOM 0 H SER A 19 11.039 1.651 -1.245 1.00 0.00 H new ATOM 0 HA SER A 19 10.883 2.472 1.536 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.175 2.865 -0.466 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.305 2.613 1.263 1.00 0.00 H new ATOM 0 HG SER A 19 13.820 0.696 0.055 1.00 0.00 H new ATOM 124 N LYS A 20 10.712 4.679 -0.810 1.00 0.00 N ATOM 125 CA LYS A 20 10.563 6.092 -1.107 1.00 0.00 C ATOM 126 C LYS A 20 9.262 6.644 -0.532 1.00 0.00 C ATOM 127 O LYS A 20 8.217 5.989 -0.540 1.00 0.00 O ATOM 128 CB LYS A 20 10.582 6.298 -2.631 1.00 0.00 C ATOM 129 CG LYS A 20 10.855 7.751 -3.051 1.00 0.00 C ATOM 130 CD LYS A 20 10.403 8.035 -4.492 1.00 0.00 C ATOM 131 CE LYS A 20 10.952 7.052 -5.533 1.00 0.00 C ATOM 132 NZ LYS A 20 12.423 6.987 -5.510 1.00 0.00 N ATOM 0 H LYS A 20 10.484 4.073 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 20 11.392 6.629 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.345 5.653 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.624 5.983 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.338 8.427 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.921 7.960 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.314 8.014 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.712 9.044 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.542 6.059 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.618 7.352 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.753 6.337 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.815 7.935 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.741 6.643 -4.581 1.00 0.00 H new ATOM 133 N ALA A 21 9.336 7.888 -0.058 1.00 0.00 N ATOM 134 CA ALA A 21 8.197 8.628 0.450 1.00 0.00 C ATOM 135 C ALA A 21 7.368 9.031 -0.770 1.00 0.00 C ATOM 136 O ALA A 21 7.480 10.143 -1.277 1.00 0.00 O ATOM 137 CB ALA A 21 8.688 9.840 1.250 1.00 0.00 C ATOM 0 H ALA A 21 10.209 8.413 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 21 7.584 8.037 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.831 10.396 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.301 9.501 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.281 10.487 0.603 1.00 0.00 H new ATOM 138 N ALA A 22 6.568 8.086 -1.260 1.00 0.00 N ATOM 139 CA ALA A 22 5.752 8.208 -2.455 1.00 0.00 C ATOM 140 C ALA A 22 5.039 9.544 -2.653 1.00 0.00 C ATOM 141 O ALA A 22 4.436 10.058 -1.718 1.00 0.00 O ATOM 142 CB ALA A 22 4.725 7.077 -2.475 1.00 0.00 C ATOM 0 H ALA A 22 6.470 7.175 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 22 6.456 8.146 -3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.108 7.162 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.241 6.117 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.092 7.145 -1.590 1.00 0.00 H new ATOM 143 N MET A 23 5.090 10.019 -3.907 1.00 0.00 N ATOM 144 CA MET A 23 4.524 11.187 -4.593 1.00 0.00 C ATOM 145 C MET A 23 4.013 12.371 -3.748 1.00 0.00 C ATOM 146 O MET A 23 4.277 13.526 -4.078 1.00 0.00 O ATOM 147 CB MET A 23 3.424 10.616 -5.498 1.00 0.00 C ATOM 148 CG MET A 23 2.769 11.628 -6.437 1.00 0.00 C ATOM 149 SD MET A 23 3.866 12.672 -7.432 1.00 0.00 S ATOM 150 CE MET A 23 4.613 11.421 -8.499 1.00 0.00 C ATOM 0 H MET A 23 5.634 9.486 -4.585 1.00 0.00 H new ATOM 0 HA MET A 23 5.342 11.680 -5.118 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.849 9.810 -6.096 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.651 10.173 -4.870 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.115 11.082 -7.117 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.134 12.281 -5.839 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.320 11.897 -9.179 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.137 10.687 -7.887 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.834 10.923 -9.076 1.00 0.00 H new ATOM 151 N GLY A 24 3.193 12.126 -2.732 1.00 0.00 N ATOM 152 CA GLY A 24 2.681 13.155 -1.836 1.00 0.00 C ATOM 153 C GLY A 24 3.741 13.528 -0.799 1.00 0.00 C ATOM 154 O GLY A 24 3.803 14.671 -0.354 1.00 0.00 O ATOM 0 H GLY A 24 2.860 11.189 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.396 14.037 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.782 12.796 -1.335 1.00 0.00 H new ATOM 155 N SER A 25 4.570 12.537 -0.458 1.00 0.00 N ATOM 156 CA SER A 25 5.672 12.454 0.493 1.00 0.00 C ATOM 157 C SER A 25 5.241 11.407 1.519 1.00 0.00 C ATOM 158 O SER A 25 5.200 11.701 2.712 1.00 0.00 O ATOM 159 CB SER A 25 6.016 13.791 1.170 1.00 0.00 C ATOM 160 OG SER A 25 6.410 14.754 0.213 1.00 0.00 O ATOM 0 H SER A 25 4.459 11.635 -0.921 1.00 0.00 H new ATOM 0 HA SER A 25 6.591 12.182 -0.026 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.151 14.156 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.818 13.642 1.893 1.00 0.00 H new ATOM 0 HG SER A 25 5.616 15.112 -0.237 1.00 0.00 H new ATOM 161 N ALA A 26 4.893 10.190 1.071 1.00 0.00 N ATOM 162 CA ALA A 26 4.406 9.182 1.981 1.00 0.00 C ATOM 163 C ALA A 26 5.353 8.800 3.105 1.00 0.00 C ATOM 164 O ALA A 26 6.569 8.929 3.014 1.00 0.00 O ATOM 165 CB ALA A 26 4.117 7.903 1.188 1.00 0.00 C ATOM 0 H ALA A 26 4.944 9.898 0.095 1.00 0.00 H new ATOM 0 HA ALA A 26 3.525 9.624 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.748 7.132 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.365 8.109 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.033 7.557 0.709 1.00 0.00 H new ATOM 166 N LYS A 27 4.765 8.287 4.180 1.00 0.00 N ATOM 167 CA LYS A 27 5.543 7.699 5.248 1.00 0.00 C ATOM 168 C LYS A 27 6.094 6.450 4.548 1.00 0.00 C ATOM 169 O LYS A 27 5.290 5.748 3.931 1.00 0.00 O ATOM 170 CB LYS A 27 4.635 7.321 6.425 1.00 0.00 C ATOM 171 CG LYS A 27 3.887 8.532 7.000 1.00 0.00 C ATOM 172 CD LYS A 27 2.921 8.132 8.128 1.00 0.00 C ATOM 173 CE LYS A 27 1.835 7.126 7.709 1.00 0.00 C ATOM 174 NZ LYS A 27 1.094 7.563 6.511 1.00 0.00 N ATOM 0 H LYS A 27 3.756 8.269 4.329 1.00 0.00 H new ATOM 0 HA LYS A 27 6.309 8.349 5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.913 6.573 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.235 6.862 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.608 9.256 7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.330 9.025 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.497 7.705 8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.438 9.031 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.296 6.158 7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.136 6.986 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.341 6.877 6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.672 8.498 6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.745 7.623 5.702 1.00 0.00 H new ATOM 175 N PRO A 28 7.402 6.165 4.549 1.00 0.00 N ATOM 176 CA PRO A 28 7.918 4.998 3.849 1.00 0.00 C ATOM 177 C PRO A 28 7.143 3.758 4.297 1.00 0.00 C ATOM 178 O PRO A 28 7.158 3.438 5.483 1.00 0.00 O ATOM 179 CB PRO A 28 9.409 4.937 4.197 1.00 0.00 C ATOM 180 CG PRO A 28 9.519 5.734 5.498 1.00 0.00 C ATOM 181 CD PRO A 28 8.433 6.799 5.348 1.00 0.00 C ATOM 0 HA PRO A 28 7.797 5.051 2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.746 3.909 4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.021 5.374 3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.348 5.105 6.371 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.507 6.180 5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.046 7.110 6.319 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.820 7.693 4.858 1.00 0.00 H new ATOM 182 N VAL A 29 6.431 3.082 3.380 1.00 0.00 N ATOM 183 CA VAL A 29 5.663 1.898 3.765 1.00 0.00 C ATOM 184 C VAL A 29 6.633 0.850 4.335 1.00 0.00 C ATOM 185 O VAL A 29 6.220 -0.018 5.105 1.00 0.00 O ATOM 186 CB VAL A 29 4.752 1.375 2.640 1.00 0.00 C ATOM 187 CG1 VAL A 29 3.478 2.216 2.499 1.00 0.00 C ATOM 188 CG2 VAL A 29 5.389 1.344 1.265 1.00 0.00 C ATOM 0 H VAL A 29 6.374 3.331 2.392 1.00 0.00 H new ATOM 0 HA VAL A 29 4.954 2.165 4.549 1.00 0.00 H new ATOM 0 HB VAL A 29 4.539 0.354 2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.863 1.813 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.917 2.187 3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.746 3.247 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.671 0.961 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.690 2.352 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.265 0.696 1.284 1.00 0.00 H new ATOM 189 N LYS A 30 7.920 0.930 3.965 1.00 0.00 N ATOM 190 CA LYS A 30 8.978 0.103 4.508 1.00 0.00 C ATOM 191 C LYS A 30 9.019 0.159 6.029 1.00 0.00 C ATOM 192 O LYS A 30 9.650 1.007 6.656 1.00 0.00 O ATOM 193 CB LYS A 30 10.322 0.509 3.906 1.00 0.00 C ATOM 194 CG LYS A 30 11.557 -0.124 4.573 1.00 0.00 C ATOM 195 CD LYS A 30 12.818 0.109 3.729 1.00 0.00 C ATOM 196 CE LYS A 30 14.090 -0.284 4.491 1.00 0.00 C ATOM 197 NZ LYS A 30 14.116 -1.719 4.825 1.00 0.00 N ATOM 0 H LYS A 30 8.249 1.592 3.262 1.00 0.00 H new ATOM 0 HA LYS A 30 8.769 -0.932 4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.324 0.243 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.414 1.594 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.696 0.302 5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.396 -1.194 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.752 -0.470 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.875 1.159 3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.964 -0.037 3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.159 0.302 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.000 -1.943 5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.306 -1.948 5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.060 -2.280 3.951 1.00 0.00 H new ATOM 198 N GLY A 31 8.318 -0.811 6.585 1.00 0.00 N ATOM 199 CA GLY A 31 8.206 -1.056 8.002 1.00 0.00 C ATOM 200 C GLY A 31 7.147 -0.180 8.643 1.00 0.00 C ATOM 201 O GLY A 31 7.281 0.162 9.815 1.00 0.00 O ATOM 0 H GLY A 31 7.786 -1.480 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.962 -2.105 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.168 -0.872 8.480 1.00 0.00 H new ATOM 202 N GLN A 32 6.082 0.180 7.911 1.00 0.00 N ATOM 203 CA GLN A 32 5.021 0.960 8.485 1.00 0.00 C ATOM 204 C GLN A 32 4.365 0.071 9.563 1.00 0.00 C ATOM 205 O GLN A 32 3.970 0.536 10.627 1.00 0.00 O ATOM 206 CB GLN A 32 4.081 1.404 7.360 1.00 0.00 C ATOM 207 CG GLN A 32 4.055 2.924 7.053 1.00 0.00 C ATOM 208 CD GLN A 32 3.027 3.273 5.962 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.941 2.712 5.996 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.335 4.139 4.980 1.00 0.00 N ATOM 0 H GLN A 32 5.950 -0.063 6.929 1.00 0.00 H new ATOM 0 HA GLN A 32 5.354 1.879 8.968 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.362 0.875 6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.069 1.088 7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.818 3.474 7.964 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.046 3.247 6.734 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.247 4.596 4.971 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.657 4.339 4.245 1.00 0.00 H new ATOM 211 N GLY A 33 4.295 -1.231 9.253 1.00 0.00 N ATOM 212 CA GLY A 33 3.805 -2.325 10.086 1.00 0.00 C ATOM 213 C GLY A 33 2.690 -3.063 9.360 1.00 0.00 C ATOM 214 O GLY A 33 1.711 -2.424 9.017 1.00 0.00 O ATOM 0 H GLY A 33 4.605 -1.567 8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.619 -3.012 10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.438 -1.936 11.036 1.00 0.00 H new ATOM 215 N ALA A 34 2.792 -4.374 9.107 1.00 0.00 N ATOM 216 CA ALA A 34 1.775 -5.139 8.386 1.00 0.00 C ATOM 217 C ALA A 34 0.361 -4.825 8.865 1.00 0.00 C ATOM 218 O ALA A 34 -0.525 -4.581 8.054 1.00 0.00 O ATOM 219 CB ALA A 34 2.052 -6.639 8.531 1.00 0.00 C ATOM 0 H ALA A 34 3.591 -4.936 9.401 1.00 0.00 H new ATOM 0 HA ALA A 34 1.834 -4.848 7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.291 -7.203 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.034 -6.869 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.028 -6.913 9.586 1.00 0.00 H new ATOM 220 N GLU A 35 0.152 -4.819 10.182 1.00 0.00 N ATOM 221 CA GLU A 35 -1.159 -4.518 10.751 1.00 0.00 C ATOM 222 C GLU A 35 -1.598 -3.112 10.317 1.00 0.00 C ATOM 223 O GLU A 35 -2.738 -2.907 9.909 1.00 0.00 O ATOM 224 CB GLU A 35 -1.091 -4.656 12.282 1.00 0.00 C ATOM 225 CG GLU A 35 -2.470 -4.602 12.966 1.00 0.00 C ATOM 226 CD GLU A 35 -3.101 -3.209 13.004 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.341 -2.244 13.242 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.334 -3.135 12.808 1.00 0.00 O ATOM 0 H GLU A 35 0.875 -5.019 10.873 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.905 -5.223 10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.607 -5.600 12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.464 -3.860 12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.147 -5.280 12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.371 -4.971 13.987 1.00 0.00 H new ATOM 229 N GLU A 36 -0.667 -2.161 10.398 1.00 0.00 N ATOM 230 CA GLU A 36 -0.836 -0.765 10.046 1.00 0.00 C ATOM 231 C GLU A 36 -1.271 -0.692 8.587 1.00 0.00 C ATOM 232 O GLU A 36 -2.375 -0.272 8.253 1.00 0.00 O ATOM 233 CB GLU A 36 0.535 -0.082 10.260 1.00 0.00 C ATOM 234 CG GLU A 36 0.522 1.304 10.890 1.00 0.00 C ATOM 235 CD GLU A 36 -0.287 2.293 10.063 1.00 0.00 C ATOM 236 OE1 GLU A 36 0.291 2.834 9.096 1.00 0.00 O ATOM 237 OE2 GLU A 36 -1.472 2.479 10.409 1.00 0.00 O ATOM 0 H GLU A 36 0.276 -2.363 10.731 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.592 -0.266 10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.145 -0.734 10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.033 -0.011 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.104 1.243 11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.545 1.667 10.992 1.00 0.00 H new ATOM 238 N LEU A 37 -0.364 -1.154 7.734 1.00 0.00 N ATOM 239 CA LEU A 37 -0.480 -1.221 6.293 1.00 0.00 C ATOM 240 C LEU A 37 -1.817 -1.843 5.892 1.00 0.00 C ATOM 241 O LEU A 37 -2.507 -1.329 5.015 1.00 0.00 O ATOM 242 CB LEU A 37 0.711 -2.042 5.772 1.00 0.00 C ATOM 243 CG LEU A 37 2.044 -1.290 5.940 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.252 -2.231 5.938 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.210 -0.306 4.787 1.00 0.00 C ATOM 0 H LEU A 37 0.532 -1.515 8.060 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.458 -0.224 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.760 -2.991 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.557 -2.277 4.719 1.00 0.00 H new ATOM 0 HG LEU A 37 2.008 -0.781 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.166 -1.650 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.162 -2.941 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.289 -2.773 4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.152 0.230 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.212 -0.850 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.384 0.406 4.794 1.00 0.00 H new ATOM 246 N TYR A 38 -2.198 -2.945 6.538 1.00 0.00 N ATOM 247 CA TYR A 38 -3.436 -3.634 6.230 1.00 0.00 C ATOM 248 C TYR A 38 -4.649 -2.830 6.678 1.00 0.00 C ATOM 249 O TYR A 38 -5.604 -2.708 5.916 1.00 0.00 O ATOM 250 CB TYR A 38 -3.422 -5.015 6.884 1.00 0.00 C ATOM 251 CG TYR A 38 -4.484 -5.985 6.393 1.00 0.00 C ATOM 252 CD1 TYR A 38 -4.717 -6.141 5.014 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.156 -6.822 7.306 1.00 0.00 C ATOM 254 CE1 TYR A 38 -5.640 -7.093 4.559 1.00 0.00 C ATOM 255 CE2 TYR A 38 -6.036 -7.817 6.839 1.00 0.00 C ATOM 256 CZ TYR A 38 -6.264 -7.961 5.461 1.00 0.00 C ATOM 257 OH TYR A 38 -6.985 -9.013 4.983 1.00 0.00 O ATOM 0 H TYR A 38 -1.655 -3.378 7.285 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.513 -3.749 5.149 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.442 -5.464 6.722 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.540 -4.889 7.960 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.183 -5.526 4.305 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.996 -6.700 8.367 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.871 -7.157 3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.535 -8.469 7.540 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.807 -9.123 4.026 1.00 0.00 H new ATOM 258 N LYS A 39 -4.634 -2.285 7.897 1.00 0.00 N ATOM 259 CA LYS A 39 -5.750 -1.490 8.388 1.00 0.00 C ATOM 260 C LYS A 39 -5.952 -0.289 7.459 1.00 0.00 C ATOM 261 O LYS A 39 -7.076 0.072 7.104 1.00 0.00 O ATOM 262 CB LYS A 39 -5.445 -1.057 9.830 1.00 0.00 C ATOM 263 CG LYS A 39 -6.575 -0.269 10.508 1.00 0.00 C ATOM 264 CD LYS A 39 -7.921 -1.011 10.566 1.00 0.00 C ATOM 265 CE LYS A 39 -7.833 -2.414 11.183 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.211 -2.400 12.519 1.00 0.00 N ATOM 0 H LYS A 39 -3.862 -2.382 8.556 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.675 -2.067 8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.230 -1.944 10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.542 -0.446 9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.268 -0.018 11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.715 0.672 9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.628 -0.415 11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.323 -1.094 9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.834 -2.840 11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.257 -3.063 10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.694 -3.086 13.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.206 -2.655 12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.294 -1.448 12.930 1.00 0.00 H new ATOM 267 N LYS A 40 -4.841 0.313 7.037 1.00 0.00 N ATOM 268 CA LYS A 40 -4.827 1.453 6.161 1.00 0.00 C ATOM 269 C LYS A 40 -5.393 1.066 4.794 1.00 0.00 C ATOM 270 O LYS A 40 -6.283 1.741 4.271 1.00 0.00 O ATOM 271 CB LYS A 40 -3.376 1.914 6.086 1.00 0.00 C ATOM 272 CG LYS A 40 -2.893 2.616 7.365 1.00 0.00 C ATOM 273 CD LYS A 40 -3.410 4.057 7.425 1.00 0.00 C ATOM 274 CE LYS A 40 -2.801 4.868 8.573 1.00 0.00 C ATOM 275 NZ LYS A 40 -1.363 5.111 8.361 1.00 0.00 N ATOM 0 H LYS A 40 -3.908 0.003 7.310 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.453 2.267 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.738 1.052 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.261 2.594 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.238 2.065 8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.803 2.614 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.191 4.555 6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.494 4.043 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.322 5.821 8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.946 4.335 9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.032 5.837 9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.835 4.229 8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.206 5.439 7.387 1.00 0.00 H new ATOM 276 N MET A 41 -4.895 -0.030 4.209 1.00 0.00 N ATOM 277 CA MET A 41 -5.392 -0.486 2.930 1.00 0.00 C ATOM 278 C MET A 41 -6.860 -0.857 3.038 1.00 0.00 C ATOM 279 O MET A 41 -7.579 -0.616 2.085 1.00 0.00 O ATOM 280 CB MET A 41 -4.577 -1.660 2.404 1.00 0.00 C ATOM 281 CG MET A 41 -3.314 -1.128 1.726 1.00 0.00 C ATOM 282 SD MET A 41 -2.377 -2.348 0.785 1.00 0.00 S ATOM 283 CE MET A 41 -1.897 -3.432 2.135 1.00 0.00 C ATOM 0 H MET A 41 -4.153 -0.606 4.607 1.00 0.00 H new ATOM 0 HA MET A 41 -5.289 0.332 2.217 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.311 -2.330 3.222 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.168 -2.241 1.696 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.595 -0.314 1.057 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.663 -0.703 2.489 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.029 -4.020 1.838 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.648 -2.833 3.011 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.723 -4.101 2.376 1.00 0.00 H new ATOM 284 N LYS A 42 -7.327 -1.445 4.142 1.00 0.00 N ATOM 285 CA LYS A 42 -8.746 -1.741 4.293 1.00 0.00 C ATOM 286 C LYS A 42 -9.493 -0.409 4.164 1.00 0.00 C ATOM 287 O LYS A 42 -10.442 -0.298 3.387 1.00 0.00 O ATOM 288 CB LYS A 42 -8.997 -2.442 5.638 1.00 0.00 C ATOM 289 CG LYS A 42 -10.472 -2.692 5.999 1.00 0.00 C ATOM 290 CD LYS A 42 -11.098 -3.961 5.396 1.00 0.00 C ATOM 291 CE LYS A 42 -11.393 -3.918 3.890 1.00 0.00 C ATOM 292 NZ LYS A 42 -12.145 -2.711 3.503 1.00 0.00 N ATOM 0 H LYS A 42 -6.747 -1.721 4.934 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.106 -2.428 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.477 -3.400 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.546 -1.842 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.558 -2.747 7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.057 -1.831 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.429 -4.799 5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.030 -4.167 5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.454 -3.952 3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.962 -4.804 3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.568 -2.852 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.898 -2.533 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.501 -1.895 3.474 1.00 0.00 H new ATOM 293 N GLY A 43 -9.017 0.606 4.893 1.00 0.00 N ATOM 294 CA GLY A 43 -9.570 1.949 4.856 1.00 0.00 C ATOM 295 C GLY A 43 -9.681 2.458 3.417 1.00 0.00 C ATOM 296 O GLY A 43 -10.744 2.914 3.008 1.00 0.00 O ATOM 0 H GLY A 43 -8.227 0.509 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.554 1.954 5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.938 2.622 5.436 1.00 0.00 H new ATOM 297 N TYR A 44 -8.597 2.392 2.635 1.00 0.00 N ATOM 298 CA TYR A 44 -8.634 2.843 1.243 1.00 0.00 C ATOM 299 C TYR A 44 -9.489 1.910 0.372 1.00 0.00 C ATOM 300 O TYR A 44 -10.149 2.369 -0.553 1.00 0.00 O ATOM 301 CB TYR A 44 -7.211 2.918 0.674 1.00 0.00 C ATOM 302 CG TYR A 44 -6.349 4.088 1.114 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.811 5.414 0.982 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.999 3.861 1.447 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.962 6.488 1.297 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.142 4.941 1.708 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.634 6.254 1.676 1.00 0.00 C ATOM 308 OH TYR A 44 -3.833 7.297 2.022 1.00 0.00 O ATOM 0 H TYR A 44 -7.692 2.034 2.941 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.087 3.834 1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.692 1.997 0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.283 2.941 -0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.817 5.604 0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.622 2.850 1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.335 7.500 1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.101 4.761 1.934 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.943 6.962 2.259 1.00 0.00 H new ATOM 309 N ALA A 45 -9.470 0.603 0.645 1.00 0.00 N ATOM 310 CA ALA A 45 -10.203 -0.416 -0.098 1.00 0.00 C ATOM 311 C ALA A 45 -11.682 -0.055 -0.097 1.00 0.00 C ATOM 312 O ALA A 45 -12.305 -0.002 -1.154 1.00 0.00 O ATOM 313 CB ALA A 45 -9.995 -1.806 0.507 1.00 0.00 C ATOM 0 H ALA A 45 -8.925 0.216 1.415 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.827 -0.447 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.555 -2.542 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.935 -2.058 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.347 -1.810 1.539 1.00 0.00 H new ATOM 314 N ASP A 46 -12.250 0.169 1.095 1.00 0.00 N ATOM 315 CA ASP A 46 -13.649 0.565 1.205 1.00 0.00 C ATOM 316 C ASP A 46 -13.790 2.047 0.826 1.00 0.00 C ATOM 317 O ASP A 46 -14.754 2.416 0.158 1.00 0.00 O ATOM 318 CB ASP A 46 -14.218 0.216 2.590 1.00 0.00 C ATOM 319 CG ASP A 46 -13.445 0.758 3.789 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.269 1.991 3.852 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.069 -0.073 4.644 1.00 0.00 O ATOM 0 H ASP A 46 -11.762 0.082 1.987 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.255 -0.003 0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.241 0.588 2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.269 -0.869 2.677 1.00 0.00 H new ATOM 322 N GLY A 47 -12.818 2.882 1.206 1.00 0.00 N ATOM 323 CA GLY A 47 -12.767 4.310 0.916 1.00 0.00 C ATOM 324 C GLY A 47 -13.080 5.180 2.137 1.00 0.00 C ATOM 325 O GLY A 47 -13.449 6.340 1.978 1.00 0.00 O ATOM 0 H GLY A 47 -12.014 2.564 1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.776 4.564 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.477 4.539 0.122 1.00 0.00 H new ATOM 326 N SER A 48 -12.911 4.651 3.353 1.00 0.00 N ATOM 327 CA SER A 48 -13.169 5.353 4.605 1.00 0.00 C ATOM 328 C SER A 48 -11.852 5.806 5.244 1.00 0.00 C ATOM 329 O SER A 48 -11.703 5.742 6.465 1.00 0.00 O ATOM 330 CB SER A 48 -13.952 4.423 5.544 1.00 0.00 C ATOM 331 OG SER A 48 -14.333 5.114 6.717 1.00 0.00 O ATOM 0 H SER A 48 -12.582 3.696 3.493 1.00 0.00 H new ATOM 0 HA SER A 48 -13.764 6.246 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.837 4.043 5.034 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.340 3.560 5.805 1.00 0.00 H new ATOM 0 HG SER A 48 -13.568 5.622 7.060 1.00 0.00 H new ATOM 332 N TYR A 49 -10.897 6.261 4.432 1.00 0.00 N ATOM 333 CA TYR A 49 -9.594 6.736 4.871 1.00 0.00 C ATOM 334 C TYR A 49 -9.034 7.627 3.762 1.00 0.00 C ATOM 335 O TYR A 49 -9.515 7.560 2.631 1.00 0.00 O ATOM 336 CB TYR A 49 -8.691 5.533 5.175 1.00 0.00 C ATOM 337 CG TYR A 49 -7.268 5.879 5.564 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.012 6.716 6.666 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.200 5.428 4.770 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.707 7.181 6.909 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.897 5.878 5.028 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.652 6.798 6.062 1.00 0.00 C ATOM 343 OH TYR A 49 -3.384 7.218 6.341 1.00 0.00 O ATOM 0 H TYR A 49 -11.017 6.309 3.420 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.659 7.320 5.789 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.141 4.955 5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.664 4.887 4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.818 7.001 7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.382 4.735 3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.515 7.834 7.748 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.076 5.515 4.428 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.767 6.869 5.664 1.00 0.00 H new ATOM 372 N LYS A 54 -4.986 10.005 -1.739 1.00 0.00 N ATOM 373 CA LYS A 54 -6.065 9.091 -1.392 1.00 0.00 C ATOM 374 C LYS A 54 -6.771 8.498 -2.605 1.00 0.00 C ATOM 375 O LYS A 54 -7.121 7.323 -2.595 1.00 0.00 O ATOM 376 CB LYS A 54 -7.108 9.813 -0.532 1.00 0.00 C ATOM 377 CG LYS A 54 -7.685 11.110 -1.122 1.00 0.00 C ATOM 378 CD LYS A 54 -8.535 11.821 -0.063 1.00 0.00 C ATOM 379 CE LYS A 54 -9.140 13.105 -0.640 1.00 0.00 C ATOM 380 NZ LYS A 54 -9.949 13.816 0.366 1.00 0.00 N ATOM 0 HA LYS A 54 -5.599 8.271 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.932 9.125 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.657 10.045 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.877 11.762 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.292 10.884 -1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.330 11.159 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.921 12.059 0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.342 13.757 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.760 12.861 -1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.345 14.681 -0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.724 13.201 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.350 14.069 1.178 1.00 0.00 H new ATOM 381 N ALA A 55 -7.018 9.314 -3.632 1.00 0.00 N ATOM 382 CA ALA A 55 -7.717 8.864 -4.826 1.00 0.00 C ATOM 383 C ALA A 55 -6.903 7.805 -5.563 1.00 0.00 C ATOM 384 O ALA A 55 -7.423 6.734 -5.871 1.00 0.00 O ATOM 385 CB ALA A 55 -8.015 10.063 -5.729 1.00 0.00 C ATOM 0 H ALA A 55 -6.740 10.295 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.662 8.404 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.539 9.724 -6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.639 10.777 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.080 10.543 -6.017 1.00 0.00 H new ATOM 386 N MET A 56 -5.628 8.101 -5.834 1.00 0.00 N ATOM 387 CA MET A 56 -4.736 7.172 -6.513 1.00 0.00 C ATOM 388 C MET A 56 -4.682 5.884 -5.699 1.00 0.00 C ATOM 389 O MET A 56 -4.831 4.786 -6.235 1.00 0.00 O ATOM 390 CB MET A 56 -3.333 7.786 -6.649 1.00 0.00 C ATOM 391 CG MET A 56 -3.316 9.062 -7.502 1.00 0.00 C ATOM 392 SD MET A 56 -3.958 8.924 -9.192 1.00 0.00 S ATOM 393 CE MET A 56 -2.829 7.691 -9.879 1.00 0.00 C ATOM 0 H MET A 56 -5.192 8.990 -5.588 1.00 0.00 H new ATOM 0 HA MET A 56 -5.105 6.960 -7.516 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.945 8.014 -5.656 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.662 7.050 -7.092 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.892 9.827 -6.981 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.288 9.420 -7.557 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.012 7.586 -10.948 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.799 8.010 -9.716 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.994 6.732 -9.387 1.00 0.00 H new ATOM 394 N MET A 57 -4.506 6.044 -4.386 1.00 0.00 N ATOM 395 CA MET A 57 -4.438 4.932 -3.464 1.00 0.00 C ATOM 396 C MET A 57 -5.702 4.081 -3.572 1.00 0.00 C ATOM 397 O MET A 57 -5.630 2.925 -3.973 1.00 0.00 O ATOM 398 CB MET A 57 -4.175 5.487 -2.052 1.00 0.00 C ATOM 399 CG MET A 57 -2.663 5.619 -1.803 1.00 0.00 C ATOM 400 SD MET A 57 -1.718 4.097 -2.092 1.00 0.00 S ATOM 401 CE MET A 57 -2.627 2.911 -1.074 1.00 0.00 C ATOM 0 H MET A 57 -4.407 6.956 -3.940 1.00 0.00 H new ATOM 0 HA MET A 57 -3.614 4.262 -3.708 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.655 6.459 -1.941 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.617 4.826 -1.306 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.269 6.405 -2.447 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.504 5.941 -0.774 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.192 1.919 -1.195 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.567 3.209 -0.027 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.671 2.889 -1.385 1.00 0.00 H new ATOM 402 N THR A 58 -6.862 4.645 -3.252 1.00 0.00 N ATOM 403 CA THR A 58 -8.155 3.985 -3.336 1.00 0.00 C ATOM 404 C THR A 58 -8.299 3.277 -4.684 1.00 0.00 C ATOM 405 O THR A 58 -8.666 2.107 -4.720 1.00 0.00 O ATOM 406 CB THR A 58 -9.259 5.037 -3.135 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.119 5.615 -1.853 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.666 4.445 -3.246 1.00 0.00 C ATOM 0 H THR A 58 -6.927 5.606 -2.916 1.00 0.00 H new ATOM 0 HA THR A 58 -8.242 3.227 -2.558 1.00 0.00 H new ATOM 0 HB THR A 58 -9.144 5.779 -3.925 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.449 6.329 -1.888 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.405 5.232 -3.096 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.799 4.006 -4.235 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.797 3.674 -2.487 1.00 0.00 H new ATOM 409 N ASN A 59 -7.991 3.955 -5.792 1.00 0.00 N ATOM 410 CA ASN A 59 -8.099 3.356 -7.117 1.00 0.00 C ATOM 411 C ASN A 59 -7.199 2.121 -7.230 1.00 0.00 C ATOM 412 O ASN A 59 -7.615 1.120 -7.812 1.00 0.00 O ATOM 413 CB ASN A 59 -7.728 4.394 -8.188 1.00 0.00 C ATOM 414 CG ASN A 59 -8.153 4.034 -9.616 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.362 4.928 -10.428 1.00 0.00 O ATOM 416 ND2 ASN A 59 -8.299 2.759 -9.974 1.00 0.00 N ATOM 0 H ASN A 59 -7.664 4.921 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.129 3.036 -7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.182 5.348 -7.920 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.648 4.539 -8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.585 2.526 -10.925 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.125 2.016 -9.297 1.00 0.00 H new ATOM 417 N ALA A 60 -5.972 2.181 -6.708 1.00 0.00 N ATOM 418 CA ALA A 60 -5.036 1.069 -6.792 1.00 0.00 C ATOM 419 C ALA A 60 -5.392 -0.064 -5.821 1.00 0.00 C ATOM 420 O ALA A 60 -5.121 -1.228 -6.100 1.00 0.00 O ATOM 421 CB ALA A 60 -3.628 1.596 -6.501 1.00 0.00 C ATOM 0 H ALA A 60 -5.606 2.998 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.087 0.648 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.913 0.775 -6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.366 2.359 -7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.601 2.030 -5.501 1.00 0.00 H new ATOM 422 N VAL A 61 -5.996 0.272 -4.684 1.00 0.00 N ATOM 423 CA VAL A 61 -6.341 -0.647 -3.608 1.00 0.00 C ATOM 424 C VAL A 61 -7.693 -1.341 -3.789 1.00 0.00 C ATOM 425 O VAL A 61 -7.763 -2.563 -3.683 1.00 0.00 O ATOM 426 CB VAL A 61 -6.283 0.175 -2.308 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.785 -0.548 -1.066 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.842 0.573 -1.987 1.00 0.00 C ATOM 0 H VAL A 61 -6.269 1.234 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.632 -1.475 -3.594 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.935 1.024 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.704 0.113 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.827 -0.834 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.184 -1.441 -0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.822 1.153 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.235 -0.324 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.440 1.174 -2.803 1.00 0.00 H new ATOM 429 N LYS A 62 -8.762 -0.583 -4.039 1.00 0.00 N ATOM 430 CA LYS A 62 -10.129 -1.084 -4.172 1.00 0.00 C ATOM 431 C LYS A 62 -10.245 -2.288 -5.114 1.00 0.00 C ATOM 432 O LYS A 62 -11.119 -3.128 -4.915 1.00 0.00 O ATOM 433 CB LYS A 62 -11.036 0.080 -4.610 1.00 0.00 C ATOM 434 CG LYS A 62 -12.528 -0.291 -4.602 1.00 0.00 C ATOM 435 CD LYS A 62 -13.431 0.908 -4.940 1.00 0.00 C ATOM 436 CE LYS A 62 -13.579 1.928 -3.799 1.00 0.00 C ATOM 437 NZ LYS A 62 -14.292 1.367 -2.638 1.00 0.00 N ATOM 0 H LYS A 62 -8.697 0.428 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.453 -1.460 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.874 0.930 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.751 0.399 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.705 -1.090 -5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.798 -0.681 -3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.028 1.416 -5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.420 0.538 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.591 2.267 -3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.116 2.803 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.636 2.141 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.099 0.800 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.645 0.764 -2.092 1.00 0.00 H new ATOM 438 N LYS A 63 -9.391 -2.391 -6.137 1.00 0.00 N ATOM 439 CA LYS A 63 -9.461 -3.515 -7.061 1.00 0.00 C ATOM 440 C LYS A 63 -9.040 -4.844 -6.411 1.00 0.00 C ATOM 441 O LYS A 63 -9.384 -5.900 -6.939 1.00 0.00 O ATOM 442 CB LYS A 63 -8.632 -3.217 -8.321 1.00 0.00 C ATOM 443 CG LYS A 63 -7.111 -3.230 -8.114 1.00 0.00 C ATOM 444 CD LYS A 63 -6.413 -2.972 -9.458 1.00 0.00 C ATOM 445 CE LYS A 63 -4.912 -3.281 -9.398 1.00 0.00 C ATOM 446 NZ LYS A 63 -4.184 -2.349 -8.521 1.00 0.00 N ATOM 0 H LYS A 63 -8.654 -1.716 -6.341 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.505 -3.638 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.886 -3.950 -9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.923 -2.240 -8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.825 -2.467 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.796 -4.191 -7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.878 -3.584 -10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.557 -1.931 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.767 -4.301 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.493 -3.233 -10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.469 -2.872 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.716 -1.622 -9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.852 -1.894 -7.867 1.00 0.00 H new ATOM 447 N TYR A 64 -8.275 -4.828 -5.312 1.00 0.00 N ATOM 448 CA TYR A 64 -7.822 -6.025 -4.654 1.00 0.00 C ATOM 449 C TYR A 64 -8.856 -6.537 -3.658 1.00 0.00 C ATOM 450 O TYR A 64 -9.824 -5.883 -3.280 1.00 0.00 O ATOM 451 CB TYR A 64 -6.506 -5.722 -3.925 1.00 0.00 C ATOM 452 CG TYR A 64 -5.342 -5.350 -4.821 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.948 -6.188 -5.880 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.620 -4.175 -4.563 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.869 -5.820 -6.703 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.552 -3.805 -5.392 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.162 -4.633 -6.459 1.00 0.00 C ATOM 458 OH TYR A 64 -2.161 -4.277 -7.318 1.00 0.00 O ATOM 0 H TYR A 64 -7.959 -3.968 -4.863 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.670 -6.800 -5.405 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.678 -4.906 -3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.226 -6.596 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.474 -7.114 -6.061 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.888 -3.553 -3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.583 -6.455 -7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.026 -2.879 -5.210 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.363 -4.616 -8.215 1.00 0.00 H new ATOM 459 N SER A 65 -8.568 -7.760 -3.249 1.00 0.00 N ATOM 460 CA SER A 65 -9.280 -8.587 -2.289 1.00 0.00 C ATOM 461 C SER A 65 -8.609 -8.468 -0.922 1.00 0.00 C ATOM 462 O SER A 65 -7.471 -8.011 -0.824 1.00 0.00 O ATOM 463 CB SER A 65 -9.206 -10.047 -2.755 1.00 0.00 C ATOM 464 OG SER A 65 -7.859 -10.482 -2.667 1.00 0.00 O ATOM 0 H SER A 65 -7.750 -8.246 -3.616 1.00 0.00 H new ATOM 0 HA SER A 65 -10.318 -8.263 -2.215 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.847 -10.675 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.566 -10.136 -3.780 1.00 0.00 H new ATOM 0 HG SER A 65 -7.635 -11.016 -3.458 1.00 0.00 H new ATOM 465 N ASP A 66 -9.281 -8.929 0.133 1.00 0.00 N ATOM 466 CA ASP A 66 -8.727 -8.922 1.480 1.00 0.00 C ATOM 467 C ASP A 66 -7.415 -9.716 1.509 1.00 0.00 C ATOM 468 O ASP A 66 -6.480 -9.326 2.208 1.00 0.00 O ATOM 469 CB ASP A 66 -9.743 -9.516 2.468 1.00 0.00 C ATOM 470 CG ASP A 66 -9.972 -11.010 2.245 1.00 0.00 C ATOM 471 OD1 ASP A 66 -10.242 -11.372 1.078 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.841 -11.761 3.234 1.00 0.00 O ATOM 0 H ASP A 66 -10.223 -9.316 0.074 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.517 -7.895 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.391 -9.354 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.691 -8.988 2.370 1.00 0.00 H new ATOM 473 N GLU A 67 -7.357 -10.821 0.757 1.00 0.00 N ATOM 474 CA GLU A 67 -6.193 -11.688 0.654 1.00 0.00 C ATOM 475 C GLU A 67 -5.057 -10.926 -0.032 1.00 0.00 C ATOM 476 O GLU A 67 -3.960 -10.830 0.514 1.00 0.00 O ATOM 477 CB GLU A 67 -6.594 -12.971 -0.097 1.00 0.00 C ATOM 478 CG GLU A 67 -5.566 -14.109 0.026 1.00 0.00 C ATOM 479 CD GLU A 67 -4.426 -14.017 -0.984 1.00 0.00 C ATOM 480 OE1 GLU A 67 -4.625 -14.486 -2.127 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.348 -13.508 -0.610 1.00 0.00 O ATOM 0 H GLU A 67 -8.143 -11.140 0.191 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.831 -11.984 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.554 -13.319 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.736 -12.734 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.149 -14.103 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.077 -15.063 -0.102 1.00 0.00 H new ATOM 482 N GLU A 68 -5.315 -10.371 -1.222 1.00 0.00 N ATOM 483 CA GLU A 68 -4.318 -9.597 -1.954 1.00 0.00 C ATOM 484 C GLU A 68 -3.782 -8.475 -1.057 1.00 0.00 C ATOM 485 O GLU A 68 -2.570 -8.299 -0.949 1.00 0.00 O ATOM 486 CB GLU A 68 -4.952 -9.025 -3.230 1.00 0.00 C ATOM 487 CG GLU A 68 -4.924 -9.935 -4.470 1.00 0.00 C ATOM 488 CD GLU A 68 -5.091 -11.422 -4.174 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.042 -12.067 -3.955 1.00 0.00 O ATOM 490 OE2 GLU A 68 -6.248 -11.895 -4.192 1.00 0.00 O ATOM 0 H GLU A 68 -6.214 -10.447 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.484 -10.238 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.990 -8.773 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.443 -8.093 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.716 -9.623 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.978 -9.786 -4.992 1.00 0.00 H new ATOM 491 N LEU A 69 -4.674 -7.723 -0.405 1.00 0.00 N ATOM 492 CA LEU A 69 -4.272 -6.644 0.487 1.00 0.00 C ATOM 493 C LEU A 69 -3.418 -7.197 1.638 1.00 0.00 C ATOM 494 O LEU A 69 -2.407 -6.595 1.999 1.00 0.00 O ATOM 495 CB LEU A 69 -5.511 -5.906 1.008 1.00 0.00 C ATOM 496 CG LEU A 69 -6.286 -5.126 -0.066 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.499 -4.463 0.591 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.443 -4.061 -0.768 1.00 0.00 C ATOM 0 H LEU A 69 -5.683 -7.847 -0.483 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.662 -5.928 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.183 -6.630 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.203 -5.213 1.791 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.588 -5.839 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.060 -3.905 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.140 -5.229 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.162 -3.782 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.051 -3.549 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.084 -3.339 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.592 -4.535 -1.257 1.00 0.00 H new ATOM 499 N LYS A 70 -3.801 -8.340 2.220 1.00 0.00 N ATOM 500 CA LYS A 70 -3.040 -8.948 3.305 1.00 0.00 C ATOM 501 C LYS A 70 -1.625 -9.267 2.817 1.00 0.00 C ATOM 502 O LYS A 70 -0.643 -8.924 3.477 1.00 0.00 O ATOM 503 CB LYS A 70 -3.745 -10.222 3.795 1.00 0.00 C ATOM 504 CG LYS A 70 -3.229 -10.671 5.168 1.00 0.00 C ATOM 505 CD LYS A 70 -3.675 -12.102 5.505 1.00 0.00 C ATOM 506 CE LYS A 70 -5.190 -12.334 5.416 1.00 0.00 C ATOM 507 NZ LYS A 70 -5.950 -11.415 6.281 1.00 0.00 N ATOM 0 H LYS A 70 -4.637 -8.860 1.953 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.977 -8.251 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.819 -10.043 3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.593 -11.022 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.140 -10.617 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.593 -9.987 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.174 -12.794 4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.342 -12.345 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.514 -12.208 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.415 -13.363 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.774 -11.912 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.341 -11.085 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.272 -10.599 5.722 1.00 0.00 H new ATOM 508 N ALA A 71 -1.526 -9.912 1.651 1.00 0.00 N ATOM 509 CA ALA A 71 -0.253 -10.287 1.064 1.00 0.00 C ATOM 510 C ALA A 71 0.573 -9.033 0.808 1.00 0.00 C ATOM 511 O ALA A 71 1.772 -9.010 1.078 1.00 0.00 O ATOM 512 CB ALA A 71 -0.491 -11.064 -0.230 1.00 0.00 C ATOM 0 H ALA A 71 -2.334 -10.186 1.092 1.00 0.00 H new ATOM 0 HA ALA A 71 0.298 -10.931 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.467 -11.344 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.068 -11.963 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.043 -10.440 -0.933 1.00 0.00 H new ATOM 513 N LEU A 72 -0.063 -7.982 0.289 1.00 0.00 N ATOM 514 CA LEU A 72 0.624 -6.739 0.024 1.00 0.00 C ATOM 515 C LEU A 72 1.186 -6.139 1.302 1.00 0.00 C ATOM 516 O LEU A 72 2.334 -5.711 1.307 1.00 0.00 O ATOM 517 CB LEU A 72 -0.367 -5.760 -0.589 1.00 0.00 C ATOM 518 CG LEU A 72 -0.341 -5.940 -2.097 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.341 -4.976 -2.690 1.00 0.00 C ATOM 520 CD2 LEU A 72 1.042 -5.552 -2.596 1.00 0.00 C ATOM 0 H LEU A 72 -1.054 -7.977 0.047 1.00 0.00 H new ATOM 0 HA LEU A 72 1.453 -6.934 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.370 -5.942 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.103 -4.736 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.575 -6.968 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.347 -5.080 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.334 -5.196 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.064 -3.956 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.085 -5.673 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.243 -4.512 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.790 -6.192 -2.129 1.00 0.00 H new ATOM 521 N ALA A 73 0.385 -6.057 2.368 1.00 0.00 N ATOM 522 CA ALA A 73 0.869 -5.477 3.611 1.00 0.00 C ATOM 523 C ALA A 73 2.007 -6.329 4.156 1.00 0.00 C ATOM 524 O ALA A 73 3.008 -5.787 4.616 1.00 0.00 O ATOM 525 CB ALA A 73 -0.247 -5.406 4.656 1.00 0.00 C ATOM 0 H ALA A 73 -0.582 -6.380 2.391 1.00 0.00 H new ATOM 0 HA ALA A 73 1.218 -4.465 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.143 -4.968 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.062 -4.789 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.618 -6.410 4.861 1.00 0.00 H new ATOM 526 N ASP A 74 1.844 -7.657 4.126 1.00 0.00 N ATOM 527 CA ASP A 74 2.876 -8.577 4.579 1.00 0.00 C ATOM 528 C ASP A 74 4.170 -8.259 3.830 1.00 0.00 C ATOM 529 O ASP A 74 5.210 -8.053 4.451 1.00 0.00 O ATOM 530 CB ASP A 74 2.432 -10.024 4.338 1.00 0.00 C ATOM 531 CG ASP A 74 3.537 -11.001 4.715 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.615 -11.335 5.916 1.00 0.00 O ATOM 533 OD2 ASP A 74 4.292 -11.391 3.798 1.00 0.00 O ATOM 0 H ASP A 74 0.997 -8.114 3.788 1.00 0.00 H new ATOM 0 HA ASP A 74 3.046 -8.461 5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.538 -10.237 4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.165 -10.157 3.289 1.00 0.00 H new ATOM 534 N TYR A 75 4.085 -8.174 2.498 1.00 0.00 N ATOM 535 CA TYR A 75 5.220 -7.850 1.654 1.00 0.00 C ATOM 536 C TYR A 75 5.806 -6.497 2.072 1.00 0.00 C ATOM 537 O TYR A 75 6.981 -6.435 2.426 1.00 0.00 O ATOM 538 CB TYR A 75 4.802 -7.852 0.180 1.00 0.00 C ATOM 539 CG TYR A 75 5.850 -7.218 -0.705 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.129 -7.799 -0.804 1.00 0.00 C ATOM 541 CD2 TYR A 75 5.650 -5.899 -1.142 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.184 -7.086 -1.401 1.00 0.00 C ATOM 543 CE2 TYR A 75 6.718 -5.173 -1.680 1.00 0.00 C ATOM 544 CZ TYR A 75 7.979 -5.765 -1.829 1.00 0.00 C ATOM 545 OH TYR A 75 9.019 -5.011 -2.275 1.00 0.00 O ATOM 0 H TYR A 75 3.219 -8.330 1.981 1.00 0.00 H new ATOM 0 HA TYR A 75 5.994 -8.607 1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.624 -8.877 -0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.860 -7.315 0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.300 -8.794 -0.421 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.673 -5.445 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.149 -7.553 -1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.569 -4.147 -1.983 1.00 0.00 H new ATOM 0 HH TYR A 75 8.817 -4.062 -2.139 1.00 0.00 H new ATOM 546 N MET A 76 5.019 -5.413 2.024 1.00 0.00 N ATOM 547 CA MET A 76 5.510 -4.094 2.429 1.00 0.00 C ATOM 548 C MET A 76 6.212 -4.126 3.793 1.00 0.00 C ATOM 549 O MET A 76 7.288 -3.555 3.968 1.00 0.00 O ATOM 550 CB MET A 76 4.350 -3.102 2.482 1.00 0.00 C ATOM 551 CG MET A 76 4.047 -2.514 1.108 1.00 0.00 C ATOM 552 SD MET A 76 2.716 -1.297 1.157 1.00 0.00 S ATOM 553 CE MET A 76 1.296 -2.391 1.299 1.00 0.00 C ATOM 0 H MET A 76 4.048 -5.425 1.711 1.00 0.00 H new ATOM 0 HA MET A 76 6.243 -3.781 1.685 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.461 -3.602 2.868 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.591 -2.298 3.177 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.948 -2.047 0.709 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.775 -3.318 0.424 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.482 -2.013 0.680 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.572 -3.391 0.964 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.972 -2.433 2.339 1.00 0.00 H new ATOM 554 N SER A 77 5.620 -4.816 4.766 1.00 0.00 N ATOM 555 CA SER A 77 6.170 -4.909 6.109 1.00 0.00 C ATOM 556 C SER A 77 7.520 -5.641 6.155 1.00 0.00 C ATOM 557 O SER A 77 8.110 -5.691 7.233 1.00 0.00 O ATOM 558 CB SER A 77 5.149 -5.598 7.020 1.00 0.00 C ATOM 559 OG SER A 77 5.434 -5.331 8.383 1.00 0.00 O ATOM 0 H SER A 77 4.745 -5.325 4.641 1.00 0.00 H new ATOM 0 HA SER A 77 6.365 -3.896 6.460 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.145 -5.250 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.164 -6.674 6.844 1.00 0.00 H new ATOM 0 HG SER A 77 6.403 -5.364 8.527 1.00 0.00 H new ATOM 560 N LYS A 78 7.982 -6.233 5.044 1.00 0.00 N ATOM 561 CA LYS A 78 9.253 -6.940 4.944 1.00 0.00 C ATOM 562 C LYS A 78 10.259 -6.178 4.060 1.00 0.00 C ATOM 563 O LYS A 78 11.290 -6.749 3.709 1.00 0.00 O ATOM 564 CB LYS A 78 8.989 -8.358 4.412 1.00 0.00 C ATOM 565 CG LYS A 78 8.197 -9.185 5.434 1.00 0.00 C ATOM 566 CD LYS A 78 7.741 -10.510 4.815 1.00 0.00 C ATOM 567 CE LYS A 78 7.042 -11.371 5.872 1.00 0.00 C ATOM 568 NZ LYS A 78 6.468 -12.590 5.276 1.00 0.00 N ATOM 0 H LYS A 78 7.460 -6.229 4.167 1.00 0.00 H new ATOM 0 HA LYS A 78 9.707 -7.006 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.435 -8.302 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.936 -8.852 4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.815 -9.380 6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.330 -8.619 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.062 -10.318 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.599 -11.045 4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.754 -11.645 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.253 -10.792 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.046 -13.177 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.735 -12.327 4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.218 -13.128 4.796 1.00 0.00 H new ATOM 569 N LEU A 79 9.959 -4.934 3.660 1.00 0.00 N ATOM 570 CA LEU A 79 10.893 -4.114 2.881 1.00 0.00 C ATOM 571 C LEU A 79 12.156 -3.861 3.709 1.00 0.00 C ATOM 572 O LEU A 79 12.018 -3.718 4.946 1.00 0.00 O ATOM 573 CB LEU A 79 10.261 -2.749 2.563 1.00 0.00 C ATOM 574 CG LEU A 79 9.450 -2.587 1.269 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.791 -3.879 0.846 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.339 -1.540 1.402 1.00 0.00 C ATOM 577 OXT LEU A 79 13.229 -3.711 3.084 1.00 0.00 O ATOM 0 H LEU A 79 9.072 -4.474 3.865 1.00 0.00 H new ATOM 0 HA LEU A 79 11.131 -4.642 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.608 -2.487 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.063 -2.012 2.543 1.00 0.00 H new ATOM 0 HG LEU A 79 10.178 -2.268 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.229 -3.717 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.554 -4.638 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.114 -4.216 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.796 -1.464 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.652 -1.837 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.778 -0.573 1.647 1.00 0.00 H new