USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 856 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 NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 16 GLN : amide:sc= 0.759 K(o=1.9,f=-7.3!) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -173:sc= 1.11 (180deg=0) USER MOD Set 2.1: A 64 SER OG : rot -1:sc= 1.5 USER MOD Set 2.2: A 69 ASN : amide:sc= 0.912 X(o=2.4,f=2.2) USER MOD Set 3.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 39 ASN : amide:sc= 0.108 X(o=0.52,f=0.71) USER MOD Set 4.2: A 40 THR OG1 : rot 180:sc= 0.413 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.127 (180deg=-0.605) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.113 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc=-0.00158 (180deg=-0.0621) USER MOD Single : A 7 HIS : no HD1:sc= -0.384 K(o=-0.38,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.23) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -161:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.423) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.117 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.027 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= 1.55 (180deg=0.123!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.023) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00259 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -96:sc= 2.13 USER MOD Single : A 57 ASN : amide:sc= 0.361 X(o=0.36,f=0) USER MOD Single : A 61 TYR OH : rot -128:sc= 0.967 USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0146 (180deg=-0.212) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0105) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -165:sc= -0.0275 (180deg=-0.649) USER MOD Single : A 75 LYS NZ :NH3+ 136:sc= 2.17 (180deg=1.19) USER MOD Single : A 76 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.13) USER MOD Single : A 80 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0634) USER MOD Single : A 85 LYS NZ :NH3+ -170:sc=-0.00556 (180deg=-0.11) USER MOD Single : A 86 SER OG : rot -36:sc= 0.0968 USER MOD Single : A 87 ASN : amide:sc= -0.0382 X(o=-0.038,f=-0.018) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.439 K(o=-0.44,f=-4.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -53:sc= 1.22 USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= -0.0091 (180deg=-0.155) USER MOD Single : A 101 LYS NZ :NH3+ -165:sc= -0.0521 (180deg=-0.318) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.735 -0.653 6.890 1.00 42.15 N ATOM 2 CA MET A 1 4.136 -1.832 6.094 1.00 3.33 C ATOM 3 C MET A 1 3.685 -1.669 4.650 1.00 3.32 C ATOM 4 O MET A 1 2.965 -0.725 4.317 1.00 73.30 O ATOM 5 CB MET A 1 3.545 -3.121 6.680 1.00 3.12 C ATOM 6 CG MET A 1 2.024 -3.172 6.654 1.00 71.23 C ATOM 7 SD MET A 1 1.376 -4.781 7.152 1.00 71.41 S ATOM 8 CE MET A 1 2.061 -4.924 8.801 1.00 3.05 C ATOM 0 H1 MET A 1 4.584 -0.141 7.203 1.00 42.15 H new ATOM 0 H2 MET A 1 3.146 -0.024 6.307 1.00 42.15 H new ATOM 0 H3 MET A 1 3.192 -0.963 7.721 1.00 42.15 H new ATOM 0 HA MET A 1 5.223 -1.906 6.127 1.00 3.33 H new ATOM 0 HB2 MET A 1 3.936 -3.973 6.125 1.00 3.12 H new ATOM 0 HB3 MET A 1 3.884 -3.229 7.710 1.00 3.12 H new ATOM 0 HG2 MET A 1 1.627 -2.403 7.317 1.00 71.23 H new ATOM 0 HG3 MET A 1 1.673 -2.938 5.649 1.00 71.23 H new ATOM 0 HE1 MET A 1 1.525 -5.697 9.352 1.00 3.05 H new ATOM 0 HE2 MET A 1 3.116 -5.191 8.735 1.00 3.05 H new ATOM 0 HE3 MET A 1 1.960 -3.971 9.321 1.00 3.05 H new ATOM 18 N LYS A 2 4.112 -2.584 3.793 1.00 0.24 N ATOM 19 CA LYS A 2 3.715 -2.566 2.397 1.00 41.23 C ATOM 20 C LYS A 2 3.026 -3.879 2.038 1.00 72.20 C ATOM 21 O LYS A 2 3.406 -4.939 2.531 1.00 22.34 O ATOM 22 CB LYS A 2 4.938 -2.341 1.506 1.00 1.21 C ATOM 23 CG LYS A 2 4.595 -2.025 0.057 1.00 15.40 C ATOM 24 CD LYS A 2 3.819 -0.718 -0.067 1.00 22.24 C ATOM 25 CE LYS A 2 4.615 0.470 0.454 1.00 20.42 C ATOM 26 NZ LYS A 2 5.841 0.722 -0.348 1.00 74.41 N ATOM 0 H LYS A 2 4.736 -3.351 4.043 1.00 0.24 H new ATOM 0 HA LYS A 2 3.014 -1.747 2.235 1.00 41.23 H new ATOM 0 HB2 LYS A 2 5.529 -1.522 1.916 1.00 1.21 H new ATOM 0 HB3 LYS A 2 5.565 -3.232 1.535 1.00 1.21 H new ATOM 0 HG2 LYS A 2 5.512 -1.961 -0.528 1.00 15.40 H new ATOM 0 HG3 LYS A 2 4.005 -2.840 -0.363 1.00 15.40 H new ATOM 0 HD2 LYS A 2 3.558 -0.549 -1.112 1.00 22.24 H new ATOM 0 HD3 LYS A 2 2.883 -0.798 0.486 1.00 22.24 H new ATOM 0 HE2 LYS A 2 3.986 1.360 0.441 1.00 20.42 H new ATOM 0 HE3 LYS A 2 4.893 0.291 1.493 1.00 20.42 H new ATOM 0 HZ1 LYS A 2 6.287 1.607 -0.032 1.00 74.41 H new ATOM 0 HZ2 LYS A 2 6.507 -0.066 -0.220 1.00 74.41 H new ATOM 0 HZ3 LYS A 2 5.588 0.802 -1.354 1.00 74.41 H new ATOM 40 N GLY A 3 2.004 -3.798 1.201 1.00 11.53 N ATOM 41 CA GLY A 3 1.266 -4.978 0.795 1.00 72.00 C ATOM 42 C GLY A 3 -0.042 -4.597 0.149 1.00 62.34 C ATOM 43 O GLY A 3 -0.178 -3.477 -0.349 1.00 44.44 O ATOM 0 H GLY A 3 1.668 -2.926 0.791 1.00 11.53 H new ATOM 0 HA2 GLY A 3 1.864 -5.564 0.097 1.00 72.00 H new ATOM 0 HA3 GLY A 3 1.077 -5.611 1.662 1.00 72.00 H new ATOM 47 N ASP A 4 -1.008 -5.502 0.157 1.00 0.10 N ATOM 48 CA ASP A 4 -2.315 -5.199 -0.405 1.00 55.52 C ATOM 49 C ASP A 4 -3.424 -5.479 0.595 1.00 11.01 C ATOM 50 O ASP A 4 -3.427 -6.505 1.282 1.00 21.14 O ATOM 51 CB ASP A 4 -2.567 -5.972 -1.694 1.00 73.35 C ATOM 52 CG ASP A 4 -3.861 -5.539 -2.346 1.00 51.43 C ATOM 53 OD1 ASP A 4 -3.874 -4.478 -3.007 1.00 73.40 O ATOM 54 OD2 ASP A 4 -4.877 -6.235 -2.184 1.00 25.32 O ATOM 0 H ASP A 4 -0.914 -6.442 0.542 1.00 0.10 H new ATOM 0 HA ASP A 4 -2.319 -4.135 -0.640 1.00 55.52 H new ATOM 0 HB2 ASP A 4 -1.738 -5.814 -2.384 1.00 73.35 H new ATOM 0 HB3 ASP A 4 -2.604 -7.040 -1.480 1.00 73.35 H new ATOM 59 N ILE A 5 -4.369 -4.554 0.656 1.00 72.33 N ATOM 60 CA ILE A 5 -5.454 -4.604 1.622 1.00 34.43 C ATOM 61 C ILE A 5 -6.392 -5.790 1.376 1.00 61.30 C ATOM 62 O ILE A 5 -6.988 -6.324 2.313 1.00 12.51 O ATOM 63 CB ILE A 5 -6.259 -3.283 1.592 1.00 12.14 C ATOM 64 CG1 ILE A 5 -6.493 -2.765 3.011 1.00 54.01 C ATOM 65 CG2 ILE A 5 -7.583 -3.450 0.848 1.00 44.43 C ATOM 66 CD1 ILE A 5 -7.270 -3.709 3.896 1.00 51.03 C ATOM 0 H ILE A 5 -4.405 -3.746 0.035 1.00 72.33 H new ATOM 0 HA ILE A 5 -5.004 -4.737 2.606 1.00 34.43 H new ATOM 0 HB ILE A 5 -5.669 -2.546 1.048 1.00 12.14 H new ATOM 0 HG12 ILE A 5 -5.528 -2.562 3.475 1.00 54.01 H new ATOM 0 HG13 ILE A 5 -7.026 -1.816 2.956 1.00 54.01 H new ATOM 0 HG21 ILE A 5 -8.122 -2.502 0.847 1.00 44.43 H new ATOM 0 HG22 ILE A 5 -7.387 -3.757 -0.179 1.00 44.43 H new ATOM 0 HG23 ILE A 5 -8.186 -4.210 1.345 1.00 44.43 H new ATOM 0 HD11 ILE A 5 -7.391 -3.265 4.884 1.00 51.03 H new ATOM 0 HD12 ILE A 5 -8.251 -3.894 3.458 1.00 51.03 H new ATOM 0 HD13 ILE A 5 -6.730 -4.651 3.986 1.00 51.03 H new ATOM 78 N GLU A 6 -6.508 -6.219 0.128 1.00 64.23 N ATOM 79 CA GLU A 6 -7.470 -7.254 -0.204 1.00 73.24 C ATOM 80 C GLU A 6 -6.991 -8.586 0.322 1.00 65.24 C ATOM 81 O GLU A 6 -7.789 -9.451 0.656 1.00 21.13 O ATOM 82 CB GLU A 6 -7.740 -7.308 -1.704 1.00 21.24 C ATOM 83 CG GLU A 6 -8.522 -6.099 -2.198 1.00 21.31 C ATOM 84 CD GLU A 6 -8.629 -6.029 -3.706 1.00 13.11 C ATOM 85 OE1 GLU A 6 -9.382 -6.831 -4.294 1.00 11.45 O ATOM 86 OE2 GLU A 6 -7.960 -5.164 -4.309 1.00 52.44 O ATOM 0 H GLU A 6 -5.958 -5.873 -0.658 1.00 64.23 H new ATOM 0 HA GLU A 6 -8.418 -7.013 0.276 1.00 73.24 H new ATOM 0 HB2 GLU A 6 -6.792 -7.367 -2.239 1.00 21.24 H new ATOM 0 HB3 GLU A 6 -8.295 -8.216 -1.938 1.00 21.24 H new ATOM 0 HG2 GLU A 6 -9.524 -6.124 -1.771 1.00 21.31 H new ATOM 0 HG3 GLU A 6 -8.042 -5.191 -1.832 1.00 21.31 H new ATOM 93 N HIS A 7 -5.681 -8.733 0.427 1.00 22.53 N ATOM 94 CA HIS A 7 -5.118 -9.887 1.097 1.00 22.31 C ATOM 95 C HIS A 7 -5.513 -9.851 2.566 1.00 73.40 C ATOM 96 O HIS A 7 -6.006 -10.837 3.107 1.00 71.15 O ATOM 97 CB HIS A 7 -3.594 -9.917 0.957 1.00 44.52 C ATOM 98 CG HIS A 7 -3.122 -10.050 -0.459 1.00 72.20 C ATOM 99 ND1 HIS A 7 -2.000 -9.425 -0.953 1.00 41.20 N ATOM 100 CD2 HIS A 7 -3.636 -10.767 -1.490 1.00 12.55 C ATOM 101 CE1 HIS A 7 -1.868 -9.769 -2.238 1.00 4.41 C ATOM 102 NE2 HIS A 7 -2.836 -10.583 -2.616 1.00 54.22 N ATOM 0 H HIS A 7 -4.995 -8.073 0.060 1.00 22.53 H new ATOM 0 HA HIS A 7 -5.510 -10.792 0.632 1.00 22.31 H new ATOM 0 HB2 HIS A 7 -3.181 -9.003 1.384 1.00 44.52 H new ATOM 0 HB3 HIS A 7 -3.201 -10.749 1.542 1.00 44.52 H new ATOM 0 HD2 HIS A 7 -4.523 -11.382 -1.445 1.00 12.55 H new ATOM 0 HE1 HIS A 7 -1.073 -9.426 -2.883 1.00 4.41 H new ATOM 0 HE2 HIS A 7 -2.970 -10.992 -3.541 1.00 54.22 H new ATOM 110 N LYS A 8 -5.344 -8.678 3.180 1.00 4.44 N ATOM 111 CA LYS A 8 -5.623 -8.486 4.605 1.00 14.44 C ATOM 112 C LYS A 8 -7.061 -8.846 4.943 1.00 13.24 C ATOM 113 O LYS A 8 -7.318 -9.602 5.879 1.00 23.32 O ATOM 114 CB LYS A 8 -5.385 -7.029 5.017 1.00 21.14 C ATOM 115 CG LYS A 8 -4.110 -6.423 4.465 1.00 1.31 C ATOM 116 CD LYS A 8 -2.893 -7.260 4.804 1.00 33.14 C ATOM 117 CE LYS A 8 -1.623 -6.591 4.314 1.00 22.40 C ATOM 118 NZ LYS A 8 -0.410 -7.323 4.758 1.00 54.45 N ATOM 0 H LYS A 8 -5.012 -7.838 2.706 1.00 4.44 H new ATOM 0 HA LYS A 8 -4.945 -9.144 5.149 1.00 14.44 H new ATOM 0 HB2 LYS A 8 -6.232 -6.428 4.686 1.00 21.14 H new ATOM 0 HB3 LYS A 8 -5.359 -6.971 6.105 1.00 21.14 H new ATOM 0 HG2 LYS A 8 -4.193 -6.326 3.383 1.00 1.31 H new ATOM 0 HG3 LYS A 8 -3.982 -5.418 4.867 1.00 1.31 H new ATOM 0 HD2 LYS A 8 -2.838 -7.409 5.882 1.00 33.14 H new ATOM 0 HD3 LYS A 8 -2.987 -8.247 4.351 1.00 33.14 H new ATOM 0 HE2 LYS A 8 -1.637 -6.537 3.225 1.00 22.40 H new ATOM 0 HE3 LYS A 8 -1.585 -5.566 4.684 1.00 22.40 H new ATOM 0 HZ1 LYS A 8 0.438 -6.836 4.404 1.00 54.45 H new ATOM 0 HZ2 LYS A 8 -0.384 -7.353 5.797 1.00 54.45 H new ATOM 0 HZ3 LYS A 8 -0.434 -8.293 4.384 1.00 54.45 H new ATOM 132 N VAL A 9 -7.994 -8.293 4.179 1.00 61.31 N ATOM 133 CA VAL A 9 -9.409 -8.492 4.446 1.00 63.41 C ATOM 134 C VAL A 9 -9.802 -9.961 4.305 1.00 63.41 C ATOM 135 O VAL A 9 -10.667 -10.449 5.033 1.00 3.40 O ATOM 136 CB VAL A 9 -10.291 -7.608 3.540 1.00 71.32 C ATOM 137 CG1 VAL A 9 -10.138 -7.977 2.074 1.00 74.40 C ATOM 138 CG2 VAL A 9 -11.749 -7.677 3.965 1.00 21.51 C ATOM 0 H VAL A 9 -7.795 -7.704 3.371 1.00 61.31 H new ATOM 0 HA VAL A 9 -9.582 -8.190 5.479 1.00 63.41 H new ATOM 0 HB VAL A 9 -9.949 -6.580 3.657 1.00 71.32 H new ATOM 0 HG11 VAL A 9 -10.775 -7.332 1.468 1.00 74.40 H new ATOM 0 HG12 VAL A 9 -9.099 -7.847 1.773 1.00 74.40 H new ATOM 0 HG13 VAL A 9 -10.431 -9.017 1.928 1.00 74.40 H new ATOM 0 HG21 VAL A 9 -12.349 -7.045 3.310 1.00 21.51 H new ATOM 0 HG22 VAL A 9 -12.100 -8.707 3.897 1.00 21.51 H new ATOM 0 HG23 VAL A 9 -11.845 -7.329 4.993 1.00 21.51 H new ATOM 148 N TYR A 10 -9.145 -10.675 3.396 1.00 2.22 N ATOM 149 CA TYR A 10 -9.396 -12.101 3.258 1.00 51.42 C ATOM 150 C TYR A 10 -8.832 -12.820 4.471 1.00 24.13 C ATOM 151 O TYR A 10 -9.441 -13.745 4.988 1.00 14.35 O ATOM 152 CB TYR A 10 -8.750 -12.690 1.995 1.00 53.01 C ATOM 153 CG TYR A 10 -9.182 -12.069 0.680 1.00 41.33 C ATOM 154 CD1 TYR A 10 -10.370 -11.361 0.562 1.00 10.13 C ATOM 155 CD2 TYR A 10 -8.387 -12.206 -0.453 1.00 10.01 C ATOM 156 CE1 TYR A 10 -10.753 -10.805 -0.644 1.00 1.32 C ATOM 157 CE2 TYR A 10 -8.762 -11.656 -1.662 1.00 20.45 C ATOM 158 CZ TYR A 10 -9.946 -10.957 -1.754 1.00 61.23 C ATOM 159 OH TYR A 10 -10.322 -10.411 -2.960 1.00 25.52 O ATOM 0 H TYR A 10 -8.447 -10.296 2.756 1.00 2.22 H new ATOM 0 HA TYR A 10 -10.474 -12.239 3.178 1.00 51.42 H new ATOM 0 HB2 TYR A 10 -7.668 -12.591 2.084 1.00 53.01 H new ATOM 0 HB3 TYR A 10 -8.971 -13.757 1.961 1.00 53.01 H new ATOM 0 HD1 TYR A 10 -11.006 -11.243 1.427 1.00 10.13 H new ATOM 0 HD2 TYR A 10 -7.458 -12.753 -0.385 1.00 10.01 H new ATOM 0 HE1 TYR A 10 -11.679 -10.254 -0.718 1.00 1.32 H new ATOM 0 HE2 TYR A 10 -8.131 -11.773 -2.531 1.00 20.45 H new ATOM 0 HH TYR A 10 -9.641 -10.610 -3.636 1.00 25.52 H new ATOM 169 N GLN A 11 -7.682 -12.340 4.942 1.00 60.13 N ATOM 170 CA GLN A 11 -6.924 -13.017 5.997 1.00 5.13 C ATOM 171 C GLN A 11 -7.751 -13.198 7.259 1.00 20.12 C ATOM 172 O GLN A 11 -7.769 -14.277 7.854 1.00 53.02 O ATOM 173 CB GLN A 11 -5.643 -12.248 6.352 1.00 45.32 C ATOM 174 CG GLN A 11 -4.607 -12.179 5.239 1.00 42.33 C ATOM 175 CD GLN A 11 -4.316 -13.523 4.603 1.00 54.03 C ATOM 176 OE1 GLN A 11 -3.453 -14.270 5.063 1.00 23.51 O ATOM 177 NE2 GLN A 11 -5.022 -13.831 3.526 1.00 64.01 N ATOM 0 H GLN A 11 -7.251 -11.478 4.607 1.00 60.13 H new ATOM 0 HA GLN A 11 -6.660 -13.997 5.600 1.00 5.13 H new ATOM 0 HB2 GLN A 11 -5.914 -11.232 6.639 1.00 45.32 H new ATOM 0 HB3 GLN A 11 -5.187 -12.715 7.225 1.00 45.32 H new ATOM 0 HG2 GLN A 11 -4.956 -11.490 4.470 1.00 42.33 H new ATOM 0 HG3 GLN A 11 -3.681 -11.767 5.640 1.00 42.33 H new ATOM 0 HE21 GLN A 11 -5.729 -13.183 3.177 1.00 64.01 H new ATOM 0 HE22 GLN A 11 -4.859 -14.716 3.045 1.00 64.01 H new ATOM 186 N LEU A 12 -8.433 -12.147 7.666 1.00 32.12 N ATOM 187 CA LEU A 12 -9.155 -12.173 8.921 1.00 14.52 C ATOM 188 C LEU A 12 -10.600 -12.606 8.737 1.00 13.51 C ATOM 189 O LEU A 12 -11.091 -13.437 9.489 1.00 20.20 O ATOM 190 CB LEU A 12 -9.063 -10.817 9.633 1.00 52.11 C ATOM 191 CG LEU A 12 -8.800 -9.593 8.744 1.00 74.44 C ATOM 192 CD1 LEU A 12 -10.069 -9.132 8.044 1.00 53.25 C ATOM 193 CD2 LEU A 12 -8.211 -8.464 9.571 1.00 13.43 C ATOM 0 H LEU A 12 -8.502 -11.270 7.150 1.00 32.12 H new ATOM 0 HA LEU A 12 -8.679 -12.921 9.556 1.00 14.52 H new ATOM 0 HB2 LEU A 12 -9.995 -10.652 10.174 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -8.268 -10.875 10.377 1.00 52.11 H new ATOM 0 HG LEU A 12 -8.084 -9.882 7.975 1.00 74.44 H new ATOM 0 HD11 LEU A 12 -9.847 -8.264 7.423 1.00 53.25 H new ATOM 0 HD12 LEU A 12 -10.452 -9.938 7.418 1.00 53.25 H new ATOM 0 HD13 LEU A 12 -10.818 -8.863 8.789 1.00 53.25 H new ATOM 0 HD21 LEU A 12 -8.028 -7.601 8.931 1.00 13.43 H new ATOM 0 HD22 LEU A 12 -8.910 -8.189 10.361 1.00 13.43 H new ATOM 0 HD23 LEU A 12 -7.271 -8.791 10.016 1.00 13.43 H new ATOM 205 N LEU A 13 -11.272 -12.075 7.728 1.00 75.54 N ATOM 206 CA LEU A 13 -12.691 -12.357 7.533 1.00 12.01 C ATOM 207 C LEU A 13 -12.958 -13.839 7.309 1.00 74.34 C ATOM 208 O LEU A 13 -13.902 -14.393 7.875 1.00 32.52 O ATOM 209 CB LEU A 13 -13.260 -11.557 6.369 1.00 24.50 C ATOM 210 CG LEU A 13 -13.477 -10.077 6.643 1.00 51.41 C ATOM 211 CD1 LEU A 13 -14.221 -9.442 5.487 1.00 53.31 C ATOM 212 CD2 LEU A 13 -14.238 -9.890 7.942 1.00 64.02 C ATOM 0 H LEU A 13 -10.864 -11.450 7.033 1.00 75.54 H new ATOM 0 HA LEU A 13 -13.191 -12.055 8.453 1.00 12.01 H new ATOM 0 HB2 LEU A 13 -12.587 -11.657 5.517 1.00 24.50 H new ATOM 0 HB3 LEU A 13 -14.212 -11.999 6.077 1.00 24.50 H new ATOM 0 HG LEU A 13 -12.509 -9.587 6.742 1.00 51.41 H new ATOM 0 HD11 LEU A 13 -14.373 -8.382 5.690 1.00 53.31 H new ATOM 0 HD12 LEU A 13 -13.639 -9.556 4.573 1.00 53.31 H new ATOM 0 HD13 LEU A 13 -15.188 -9.930 5.365 1.00 53.31 H new ATOM 0 HD21 LEU A 13 -14.387 -8.826 8.127 1.00 64.02 H new ATOM 0 HD22 LEU A 13 -15.207 -10.385 7.871 1.00 64.02 H new ATOM 0 HD23 LEU A 13 -13.668 -10.325 8.763 1.00 64.02 H new ATOM 224 N LYS A 14 -12.139 -14.476 6.483 1.00 4.11 N ATOM 225 CA LYS A 14 -12.298 -15.906 6.219 1.00 41.24 C ATOM 226 C LYS A 14 -12.073 -16.711 7.500 1.00 43.25 C ATOM 227 O LYS A 14 -12.633 -17.791 7.678 1.00 55.32 O ATOM 228 CB LYS A 14 -11.335 -16.374 5.121 1.00 60.11 C ATOM 229 CG LYS A 14 -9.904 -16.539 5.591 1.00 22.44 C ATOM 230 CD LYS A 14 -8.999 -17.015 4.471 1.00 54.13 C ATOM 231 CE LYS A 14 -7.561 -17.127 4.938 1.00 3.44 C ATOM 232 NZ LYS A 14 -6.675 -17.627 3.860 1.00 31.31 N ATOM 0 H LYS A 14 -11.365 -14.034 5.987 1.00 4.11 H new ATOM 0 HA LYS A 14 -13.317 -16.074 5.871 1.00 41.24 H new ATOM 0 HB2 LYS A 14 -11.688 -17.325 4.722 1.00 60.11 H new ATOM 0 HB3 LYS A 14 -11.358 -15.656 4.301 1.00 60.11 H new ATOM 0 HG2 LYS A 14 -9.536 -15.589 5.978 1.00 22.44 H new ATOM 0 HG3 LYS A 14 -9.871 -17.253 6.414 1.00 22.44 H new ATOM 0 HD2 LYS A 14 -9.343 -17.984 4.109 1.00 54.13 H new ATOM 0 HD3 LYS A 14 -9.059 -16.322 3.632 1.00 54.13 H new ATOM 0 HE2 LYS A 14 -7.210 -16.152 5.275 1.00 3.44 H new ATOM 0 HE3 LYS A 14 -7.507 -17.799 5.795 1.00 3.44 H new ATOM 0 HZ1 LYS A 14 -5.699 -17.691 4.214 1.00 31.31 H new ATOM 0 HZ2 LYS A 14 -6.996 -18.568 3.556 1.00 31.31 H new ATOM 0 HZ3 LYS A 14 -6.708 -16.973 3.052 1.00 31.31 H new ATOM 246 N ASP A 15 -11.268 -16.156 8.399 1.00 44.42 N ATOM 247 CA ASP A 15 -10.946 -16.811 9.661 1.00 42.24 C ATOM 248 C ASP A 15 -12.117 -16.706 10.630 1.00 54.21 C ATOM 249 O ASP A 15 -12.365 -17.610 11.430 1.00 4.01 O ATOM 250 CB ASP A 15 -9.707 -16.161 10.274 1.00 50.35 C ATOM 251 CG ASP A 15 -9.158 -16.935 11.452 1.00 11.20 C ATOM 252 OD1 ASP A 15 -8.732 -18.093 11.261 1.00 63.44 O ATOM 253 OD2 ASP A 15 -9.136 -16.387 12.576 1.00 73.01 O ATOM 0 H ASP A 15 -10.823 -15.246 8.275 1.00 44.42 H new ATOM 0 HA ASP A 15 -10.747 -17.865 9.469 1.00 42.24 H new ATOM 0 HB2 ASP A 15 -8.934 -16.074 9.511 1.00 50.35 H new ATOM 0 HB3 ASP A 15 -9.955 -15.149 10.594 1.00 50.35 H new ATOM 258 N GLN A 16 -12.840 -15.595 10.534 1.00 14.54 N ATOM 259 CA GLN A 16 -14.001 -15.343 11.395 1.00 23.12 C ATOM 260 C GLN A 16 -15.226 -16.098 10.901 1.00 21.42 C ATOM 261 O GLN A 16 -16.307 -15.999 11.484 1.00 12.14 O ATOM 262 CB GLN A 16 -14.333 -13.848 11.452 1.00 55.45 C ATOM 263 CG GLN A 16 -13.120 -12.957 11.420 1.00 73.14 C ATOM 264 CD GLN A 16 -13.326 -11.653 12.151 1.00 63.14 C ATOM 265 OE1 GLN A 16 -14.021 -11.596 13.160 1.00 54.22 O ATOM 266 NE2 GLN A 16 -12.756 -10.594 11.616 1.00 2.44 N ATOM 0 H GLN A 16 -12.645 -14.849 9.867 1.00 14.54 H new ATOM 0 HA GLN A 16 -13.738 -15.694 12.393 1.00 23.12 H new ATOM 0 HB2 GLN A 16 -14.980 -13.596 10.612 1.00 55.45 H new ATOM 0 HB3 GLN A 16 -14.898 -13.645 12.362 1.00 55.45 H new ATOM 0 HG2 GLN A 16 -12.276 -13.486 11.863 1.00 73.14 H new ATOM 0 HG3 GLN A 16 -12.857 -12.748 10.383 1.00 73.14 H new ATOM 0 HE21 GLN A 16 -12.186 -10.691 10.776 1.00 2.44 H new ATOM 0 HE22 GLN A 16 -12.884 -9.676 12.042 1.00 2.44 H new ATOM 275 N GLY A 17 -15.064 -16.830 9.813 1.00 73.35 N ATOM 276 CA GLY A 17 -16.167 -17.575 9.266 1.00 12.24 C ATOM 277 C GLY A 17 -16.936 -16.765 8.252 1.00 21.44 C ATOM 278 O GLY A 17 -18.166 -16.828 8.192 1.00 23.51 O ATOM 0 H GLY A 17 -14.187 -16.920 9.301 1.00 73.35 H new ATOM 0 HA2 GLY A 17 -15.795 -18.486 8.798 1.00 12.24 H new ATOM 0 HA3 GLY A 17 -16.835 -17.880 10.071 1.00 12.24 H new ATOM 282 N CYS A 18 -16.225 -15.961 7.476 1.00 14.35 N ATOM 283 CA CYS A 18 -16.856 -15.239 6.394 1.00 44.33 C ATOM 284 C CYS A 18 -16.167 -15.558 5.079 1.00 13.33 C ATOM 285 O CYS A 18 -14.948 -15.504 4.982 1.00 33.12 O ATOM 286 CB CYS A 18 -16.825 -13.731 6.647 1.00 20.41 C ATOM 287 SG CYS A 18 -18.187 -12.828 5.836 1.00 53.41 S ATOM 0 H CYS A 18 -15.223 -15.796 7.577 1.00 14.35 H new ATOM 0 HA CYS A 18 -17.898 -15.555 6.339 1.00 44.33 H new ATOM 0 HB2 CYS A 18 -16.869 -13.550 7.721 1.00 20.41 H new ATOM 0 HB3 CYS A 18 -15.874 -13.331 6.295 1.00 20.41 H new ATOM 292 N GLU A 19 -16.951 -15.933 4.088 1.00 43.53 N ATOM 293 CA GLU A 19 -16.445 -16.140 2.741 1.00 12.35 C ATOM 294 C GLU A 19 -17.183 -15.238 1.764 1.00 60.11 C ATOM 295 O GLU A 19 -16.953 -15.280 0.555 1.00 13.14 O ATOM 296 CB GLU A 19 -16.611 -17.604 2.330 1.00 64.51 C ATOM 297 CG GLU A 19 -17.982 -18.175 2.640 1.00 14.23 C ATOM 298 CD GLU A 19 -18.014 -18.860 3.993 1.00 22.02 C ATOM 299 OE1 GLU A 19 -18.117 -18.152 5.016 1.00 73.42 O ATOM 300 OE2 GLU A 19 -17.898 -20.097 4.042 1.00 3.02 O ATOM 0 H GLU A 19 -17.952 -16.103 4.190 1.00 43.53 H new ATOM 0 HA GLU A 19 -15.384 -15.890 2.724 1.00 12.35 H new ATOM 0 HB2 GLU A 19 -16.423 -17.695 1.260 1.00 64.51 H new ATOM 0 HB3 GLU A 19 -15.855 -18.202 2.838 1.00 64.51 H new ATOM 0 HG2 GLU A 19 -18.722 -17.375 2.620 1.00 14.23 H new ATOM 0 HG3 GLU A 19 -18.263 -18.888 1.865 1.00 14.23 H new ATOM 307 N ASP A 20 -18.056 -14.405 2.309 1.00 2.22 N ATOM 308 CA ASP A 20 -18.920 -13.563 1.503 1.00 22.21 C ATOM 309 C ASP A 20 -18.421 -12.124 1.503 1.00 35.12 C ATOM 310 O ASP A 20 -18.819 -11.309 2.342 1.00 31.42 O ATOM 311 CB ASP A 20 -20.360 -13.627 2.019 1.00 61.24 C ATOM 312 CG ASP A 20 -21.303 -12.732 1.239 1.00 74.53 C ATOM 313 OD1 ASP A 20 -21.025 -12.447 0.055 1.00 21.12 O ATOM 314 OD2 ASP A 20 -22.325 -12.307 1.810 1.00 54.34 O ATOM 0 H ASP A 20 -18.184 -14.295 3.315 1.00 2.22 H new ATOM 0 HA ASP A 20 -18.900 -13.934 0.478 1.00 22.21 H new ATOM 0 HB2 ASP A 20 -20.715 -14.656 1.965 1.00 61.24 H new ATOM 0 HB3 ASP A 20 -20.378 -13.338 3.070 1.00 61.24 H new ATOM 319 N PHE A 21 -17.497 -11.849 0.596 1.00 4.12 N ATOM 320 CA PHE A 21 -16.947 -10.511 0.402 1.00 0.34 C ATOM 321 C PHE A 21 -16.150 -10.446 -0.896 1.00 73.43 C ATOM 322 O PHE A 21 -15.858 -11.478 -1.508 1.00 71.23 O ATOM 323 CB PHE A 21 -16.066 -10.087 1.590 1.00 12.31 C ATOM 324 CG PHE A 21 -15.166 -11.167 2.131 1.00 71.12 C ATOM 325 CD1 PHE A 21 -13.927 -11.424 1.565 1.00 72.43 C ATOM 326 CD2 PHE A 21 -15.565 -11.916 3.222 1.00 74.51 C ATOM 327 CE1 PHE A 21 -13.106 -12.412 2.082 1.00 12.05 C ATOM 328 CE2 PHE A 21 -14.753 -12.901 3.737 1.00 40.42 C ATOM 329 CZ PHE A 21 -13.520 -13.152 3.171 1.00 1.12 C ATOM 0 H PHE A 21 -17.103 -12.550 -0.032 1.00 4.12 H new ATOM 0 HA PHE A 21 -17.783 -9.815 0.340 1.00 0.34 H new ATOM 0 HB2 PHE A 21 -15.450 -9.242 1.283 1.00 12.31 H new ATOM 0 HB3 PHE A 21 -16.712 -9.736 2.395 1.00 12.31 H new ATOM 0 HD1 PHE A 21 -13.599 -10.848 0.712 1.00 72.43 H new ATOM 0 HD2 PHE A 21 -16.526 -11.726 3.676 1.00 74.51 H new ATOM 0 HE1 PHE A 21 -12.142 -12.603 1.633 1.00 12.05 H new ATOM 0 HE2 PHE A 21 -15.082 -13.480 4.587 1.00 40.42 H new ATOM 0 HZ PHE A 21 -12.882 -13.923 3.578 1.00 1.12 H new ATOM 339 N GLY A 22 -15.819 -9.234 -1.319 1.00 12.24 N ATOM 340 CA GLY A 22 -15.059 -9.047 -2.540 1.00 61.23 C ATOM 341 C GLY A 22 -15.013 -7.593 -2.965 1.00 30.22 C ATOM 342 O GLY A 22 -15.637 -6.741 -2.336 1.00 74.23 O ATOM 0 H GLY A 22 -16.065 -8.371 -0.835 1.00 12.24 H new ATOM 0 HA2 GLY A 22 -14.043 -9.414 -2.394 1.00 61.23 H new ATOM 0 HA3 GLY A 22 -15.502 -9.644 -3.337 1.00 61.23 H new ATOM 346 N THR A 23 -14.277 -7.301 -4.022 1.00 4.00 N ATOM 347 CA THR A 23 -14.156 -5.937 -4.509 1.00 54.33 C ATOM 348 C THR A 23 -14.788 -5.783 -5.886 1.00 33.42 C ATOM 349 O THR A 23 -14.677 -6.668 -6.734 1.00 63.01 O ATOM 350 CB THR A 23 -12.680 -5.507 -4.583 1.00 34.55 C ATOM 351 OG1 THR A 23 -11.891 -6.564 -5.144 1.00 1.11 O ATOM 352 CG2 THR A 23 -12.148 -5.143 -3.209 1.00 63.14 C ATOM 0 H THR A 23 -13.753 -7.990 -4.561 1.00 4.00 H new ATOM 0 HA THR A 23 -14.684 -5.297 -3.802 1.00 54.33 H new ATOM 0 HB THR A 23 -12.614 -4.625 -5.221 1.00 34.55 H new ATOM 0 HG1 THR A 23 -10.949 -6.427 -4.912 1.00 1.11 H new ATOM 0 HG21 THR A 23 -11.103 -4.843 -3.291 1.00 63.14 H new ATOM 0 HG22 THR A 23 -12.731 -4.318 -2.800 1.00 63.14 H new ATOM 0 HG23 THR A 23 -12.227 -6.006 -2.548 1.00 63.14 H new ATOM 360 N LYS A 24 -15.472 -4.671 -6.101 1.00 43.44 N ATOM 361 CA LYS A 24 -16.003 -4.356 -7.420 1.00 51.33 C ATOM 362 C LYS A 24 -15.366 -3.074 -7.943 1.00 41.12 C ATOM 363 O LYS A 24 -14.893 -2.245 -7.165 1.00 14.25 O ATOM 364 CB LYS A 24 -17.528 -4.194 -7.396 1.00 41.40 C ATOM 365 CG LYS A 24 -18.004 -2.891 -6.770 1.00 71.14 C ATOM 366 CD LYS A 24 -19.430 -2.565 -7.189 1.00 54.52 C ATOM 367 CE LYS A 24 -19.886 -1.218 -6.644 1.00 60.21 C ATOM 368 NZ LYS A 24 -21.278 -0.890 -7.052 1.00 33.04 N ATOM 0 H LYS A 24 -15.673 -3.974 -5.384 1.00 43.44 H new ATOM 0 HA LYS A 24 -15.761 -5.189 -8.080 1.00 51.33 H new ATOM 0 HB2 LYS A 24 -17.905 -4.253 -8.417 1.00 41.40 H new ATOM 0 HB3 LYS A 24 -17.963 -5.029 -6.847 1.00 41.40 H new ATOM 0 HG2 LYS A 24 -17.950 -2.966 -5.684 1.00 71.14 H new ATOM 0 HG3 LYS A 24 -17.341 -2.079 -7.067 1.00 71.14 H new ATOM 0 HD2 LYS A 24 -19.497 -2.558 -8.277 1.00 54.52 H new ATOM 0 HD3 LYS A 24 -20.101 -3.347 -6.833 1.00 54.52 H new ATOM 0 HE2 LYS A 24 -19.820 -1.227 -5.556 1.00 60.21 H new ATOM 0 HE3 LYS A 24 -19.212 -0.438 -6.997 1.00 60.21 H new ATOM 0 HZ1 LYS A 24 -21.418 0.140 -7.013 1.00 33.04 H new ATOM 0 HZ2 LYS A 24 -21.443 -1.225 -8.022 1.00 33.04 H new ATOM 0 HZ3 LYS A 24 -21.948 -1.355 -6.406 1.00 33.04 H new ATOM 382 N CYS A 25 -15.360 -2.919 -9.255 1.00 52.53 N ATOM 383 CA CYS A 25 -14.847 -1.714 -9.882 1.00 52.44 C ATOM 384 C CYS A 25 -15.731 -1.325 -11.060 1.00 55.33 C ATOM 385 O CYS A 25 -15.363 -1.492 -12.224 1.00 21.32 O ATOM 386 CB CYS A 25 -13.393 -1.911 -10.326 1.00 0.35 C ATOM 387 SG CYS A 25 -13.108 -3.400 -11.310 1.00 2.41 S ATOM 0 H CYS A 25 -15.707 -3.618 -9.911 1.00 52.53 H new ATOM 0 HA CYS A 25 -14.864 -0.903 -9.154 1.00 52.44 H new ATOM 0 HB2 CYS A 25 -13.082 -1.042 -10.906 1.00 0.35 H new ATOM 0 HB3 CYS A 25 -12.758 -1.948 -9.441 1.00 0.35 H new ATOM 0 HG CYS A 25 -11.851 -3.471 -11.635 1.00 2.41 H new ATOM 393 N VAL A 26 -16.919 -0.835 -10.751 1.00 1.21 N ATOM 394 CA VAL A 26 -17.869 -0.456 -11.779 1.00 71.30 C ATOM 395 C VAL A 26 -17.731 1.027 -12.080 1.00 42.21 C ATOM 396 O VAL A 26 -17.598 1.840 -11.172 1.00 64.52 O ATOM 397 CB VAL A 26 -19.322 -0.783 -11.363 1.00 54.13 C ATOM 398 CG1 VAL A 26 -19.727 -0.021 -10.106 1.00 4.51 C ATOM 399 CG2 VAL A 26 -20.289 -0.494 -12.502 1.00 31.51 C ATOM 0 H VAL A 26 -17.248 -0.691 -9.796 1.00 1.21 H new ATOM 0 HA VAL A 26 -17.646 -1.034 -12.676 1.00 71.30 H new ATOM 0 HB VAL A 26 -19.368 -1.848 -11.135 1.00 54.13 H new ATOM 0 HG11 VAL A 26 -20.754 -0.274 -9.842 1.00 4.51 H new ATOM 0 HG12 VAL A 26 -19.063 -0.294 -9.285 1.00 4.51 H new ATOM 0 HG13 VAL A 26 -19.654 1.051 -10.291 1.00 4.51 H new ATOM 0 HG21 VAL A 26 -21.305 -0.732 -12.186 1.00 31.51 H new ATOM 0 HG22 VAL A 26 -20.230 0.561 -12.771 1.00 31.51 H new ATOM 0 HG23 VAL A 26 -20.026 -1.104 -13.366 1.00 31.51 H new ATOM 409 N ILE A 27 -17.730 1.379 -13.349 1.00 21.33 N ATOM 410 CA ILE A 27 -17.567 2.765 -13.731 1.00 23.40 C ATOM 411 C ILE A 27 -18.839 3.567 -13.500 1.00 44.31 C ATOM 412 O ILE A 27 -19.921 3.200 -13.968 1.00 52.40 O ATOM 413 CB ILE A 27 -17.141 2.910 -15.200 1.00 14.33 C ATOM 414 CG1 ILE A 27 -15.715 2.392 -15.391 1.00 42.22 C ATOM 415 CG2 ILE A 27 -17.248 4.361 -15.636 1.00 12.30 C ATOM 416 CD1 ILE A 27 -15.213 2.522 -16.809 1.00 31.14 C ATOM 0 H ILE A 27 -17.839 0.730 -14.128 1.00 21.33 H new ATOM 0 HA ILE A 27 -16.776 3.161 -13.094 1.00 23.40 H new ATOM 0 HB ILE A 27 -17.809 2.314 -15.822 1.00 14.33 H new ATOM 0 HG12 ILE A 27 -15.046 2.938 -14.726 1.00 42.22 H new ATOM 0 HG13 ILE A 27 -15.675 1.344 -15.094 1.00 42.22 H new ATOM 0 HG21 ILE A 27 -16.943 4.451 -16.679 1.00 12.30 H new ATOM 0 HG22 ILE A 27 -18.279 4.698 -15.529 1.00 12.30 H new ATOM 0 HG23 ILE A 27 -16.598 4.977 -15.014 1.00 12.30 H new ATOM 0 HD11 ILE A 27 -14.196 2.136 -16.872 1.00 31.14 H new ATOM 0 HD12 ILE A 27 -15.859 1.953 -17.477 1.00 31.14 H new ATOM 0 HD13 ILE A 27 -15.221 3.572 -17.103 1.00 31.14 H new ATOM 428 N GLU A 28 -18.689 4.667 -12.786 1.00 72.24 N ATOM 429 CA GLU A 28 -19.761 5.616 -12.606 1.00 63.52 C ATOM 430 C GLU A 28 -19.424 6.909 -13.330 1.00 23.31 C ATOM 431 O GLU A 28 -18.607 7.705 -12.864 1.00 10.14 O ATOM 432 CB GLU A 28 -20.027 5.886 -11.125 1.00 1.13 C ATOM 433 CG GLU A 28 -20.800 4.774 -10.438 1.00 54.53 C ATOM 434 CD GLU A 28 -21.464 5.237 -9.154 1.00 12.02 C ATOM 435 OE1 GLU A 28 -22.128 6.299 -9.174 1.00 65.13 O ATOM 436 OE2 GLU A 28 -21.325 4.552 -8.120 1.00 15.25 O ATOM 0 H GLU A 28 -17.820 4.924 -12.317 1.00 72.24 H new ATOM 0 HA GLU A 28 -20.671 5.190 -13.029 1.00 63.52 H new ATOM 0 HB2 GLU A 28 -19.075 6.027 -10.613 1.00 1.13 H new ATOM 0 HB3 GLU A 28 -20.583 6.819 -11.028 1.00 1.13 H new ATOM 0 HG2 GLU A 28 -21.560 4.390 -11.118 1.00 54.53 H new ATOM 0 HG3 GLU A 28 -20.124 3.948 -10.217 1.00 54.53 H new ATOM 443 N GLU A 29 -20.013 7.076 -14.502 1.00 1.42 N ATOM 444 CA GLU A 29 -19.852 8.294 -15.276 1.00 2.35 C ATOM 445 C GLU A 29 -20.482 9.462 -14.524 1.00 44.25 C ATOM 446 O GLU A 29 -21.608 9.357 -14.025 1.00 2.14 O ATOM 447 CB GLU A 29 -20.500 8.121 -16.653 1.00 23.44 C ATOM 448 CG GLU A 29 -21.981 7.774 -16.567 1.00 25.52 C ATOM 449 CD GLU A 29 -22.651 7.642 -17.915 1.00 42.22 C ATOM 450 OE1 GLU A 29 -23.156 8.658 -18.428 1.00 34.24 O ATOM 451 OE2 GLU A 29 -22.707 6.513 -18.448 1.00 33.14 O ATOM 0 H GLU A 29 -20.612 6.377 -14.941 1.00 1.42 H new ATOM 0 HA GLU A 29 -18.792 8.502 -15.418 1.00 2.35 H new ATOM 0 HB2 GLU A 29 -20.379 9.041 -17.225 1.00 23.44 H new ATOM 0 HB3 GLU A 29 -19.978 7.335 -17.199 1.00 23.44 H new ATOM 0 HG2 GLU A 29 -22.095 6.838 -16.021 1.00 25.52 H new ATOM 0 HG3 GLU A 29 -22.493 8.544 -15.990 1.00 25.52 H new ATOM 458 N VAL A 30 -19.760 10.561 -14.415 1.00 73.55 N ATOM 459 CA VAL A 30 -20.263 11.712 -13.692 1.00 20.11 C ATOM 460 C VAL A 30 -21.081 12.598 -14.618 1.00 71.24 C ATOM 461 O VAL A 30 -20.566 13.527 -15.244 1.00 0.21 O ATOM 462 CB VAL A 30 -19.126 12.519 -13.029 1.00 2.22 C ATOM 463 CG1 VAL A 30 -19.674 13.713 -12.259 1.00 1.01 C ATOM 464 CG2 VAL A 30 -18.322 11.622 -12.103 1.00 0.14 C ATOM 0 H VAL A 30 -18.829 10.680 -14.815 1.00 73.55 H new ATOM 0 HA VAL A 30 -20.906 11.345 -12.892 1.00 20.11 H new ATOM 0 HB VAL A 30 -18.474 12.897 -13.817 1.00 2.22 H new ATOM 0 HG11 VAL A 30 -18.850 14.262 -11.803 1.00 1.01 H new ATOM 0 HG12 VAL A 30 -20.214 14.370 -12.942 1.00 1.01 H new ATOM 0 HG13 VAL A 30 -20.352 13.364 -11.480 1.00 1.01 H new ATOM 0 HG21 VAL A 30 -17.522 12.200 -11.640 1.00 0.14 H new ATOM 0 HG22 VAL A 30 -18.975 11.221 -11.328 1.00 0.14 H new ATOM 0 HG23 VAL A 30 -17.891 10.801 -12.676 1.00 0.14 H new ATOM 474 N LYS A 31 -22.352 12.259 -14.742 1.00 41.45 N ATOM 475 CA LYS A 31 -23.279 13.054 -15.519 1.00 74.14 C ATOM 476 C LYS A 31 -23.775 14.224 -14.681 1.00 75.45 C ATOM 477 O LYS A 31 -24.615 14.070 -13.791 1.00 3.15 O ATOM 478 CB LYS A 31 -24.439 12.188 -16.028 1.00 65.42 C ATOM 479 CG LYS A 31 -25.121 11.358 -14.951 1.00 71.23 C ATOM 480 CD LYS A 31 -26.203 10.466 -15.535 1.00 43.22 C ATOM 481 CE LYS A 31 -25.620 9.439 -16.492 1.00 63.24 C ATOM 482 NZ LYS A 31 -26.666 8.542 -17.048 1.00 31.22 N ATOM 0 H LYS A 31 -22.765 11.432 -14.310 1.00 41.45 H new ATOM 0 HA LYS A 31 -22.768 13.454 -16.395 1.00 74.14 H new ATOM 0 HB2 LYS A 31 -25.181 12.835 -16.496 1.00 65.42 H new ATOM 0 HB3 LYS A 31 -24.065 11.519 -16.803 1.00 65.42 H new ATOM 0 HG2 LYS A 31 -24.379 10.744 -14.439 1.00 71.23 H new ATOM 0 HG3 LYS A 31 -25.558 12.020 -14.203 1.00 71.23 H new ATOM 0 HD2 LYS A 31 -26.730 9.956 -14.729 1.00 43.22 H new ATOM 0 HD3 LYS A 31 -26.937 11.078 -16.059 1.00 43.22 H new ATOM 0 HE2 LYS A 31 -25.110 9.952 -17.308 1.00 63.24 H new ATOM 0 HE3 LYS A 31 -24.870 8.843 -15.972 1.00 63.24 H new ATOM 0 HZ1 LYS A 31 -26.227 7.857 -17.696 1.00 31.22 H new ATOM 0 HZ2 LYS A 31 -27.136 8.033 -16.272 1.00 31.22 H new ATOM 0 HZ3 LYS A 31 -27.368 9.107 -17.566 1.00 31.22 H new ATOM 496 N SER A 32 -23.207 15.387 -14.944 1.00 52.44 N ATOM 497 CA SER A 32 -23.524 16.581 -14.186 1.00 45.12 C ATOM 498 C SER A 32 -24.016 17.679 -15.121 1.00 75.25 C ATOM 499 O SER A 32 -24.763 18.571 -14.718 1.00 15.44 O ATOM 500 CB SER A 32 -22.283 17.046 -13.417 1.00 71.44 C ATOM 501 OG SER A 32 -22.605 18.033 -12.449 1.00 1.41 O ATOM 0 H SER A 32 -22.519 15.529 -15.683 1.00 52.44 H new ATOM 0 HA SER A 32 -24.317 16.356 -13.473 1.00 45.12 H new ATOM 0 HB2 SER A 32 -21.818 16.192 -12.925 1.00 71.44 H new ATOM 0 HB3 SER A 32 -21.550 17.448 -14.117 1.00 71.44 H new ATOM 0 HG SER A 32 -21.791 18.306 -11.976 1.00 1.41 H new ATOM 507 N SER A 33 -23.607 17.595 -16.378 1.00 14.44 N ATOM 508 CA SER A 33 -23.975 18.582 -17.372 1.00 32.14 C ATOM 509 C SER A 33 -24.299 17.883 -18.688 1.00 10.51 C ATOM 510 O SER A 33 -24.310 16.650 -18.754 1.00 55.12 O ATOM 511 CB SER A 33 -22.829 19.586 -17.547 1.00 12.33 C ATOM 512 OG SER A 33 -23.175 20.626 -18.448 1.00 21.33 O ATOM 0 H SER A 33 -23.014 16.844 -16.732 1.00 14.44 H new ATOM 0 HA SER A 33 -24.861 19.127 -17.045 1.00 32.14 H new ATOM 0 HB2 SER A 33 -22.570 20.015 -16.579 1.00 12.33 H new ATOM 0 HB3 SER A 33 -21.943 19.067 -17.913 1.00 12.33 H new ATOM 0 HG SER A 33 -22.423 21.248 -18.534 1.00 21.33 H new ATOM 518 N HIS A 34 -24.573 18.662 -19.725 1.00 5.32 N ATOM 519 CA HIS A 34 -24.889 18.108 -21.036 1.00 74.32 C ATOM 520 C HIS A 34 -23.651 17.484 -21.659 1.00 65.44 C ATOM 521 O HIS A 34 -22.724 18.189 -22.067 1.00 13.32 O ATOM 522 CB HIS A 34 -25.452 19.184 -21.968 1.00 73.33 C ATOM 523 CG HIS A 34 -26.733 19.795 -21.492 1.00 62.24 C ATOM 524 ND1 HIS A 34 -26.843 21.092 -21.043 1.00 75.14 N ATOM 525 CD2 HIS A 34 -27.977 19.262 -21.406 1.00 20.34 C ATOM 526 CE1 HIS A 34 -28.120 21.305 -20.709 1.00 51.31 C ATOM 527 NE2 HIS A 34 -28.853 20.222 -20.911 1.00 74.05 N ATOM 0 H HIS A 34 -24.583 19.681 -19.685 1.00 5.32 H new ATOM 0 HA HIS A 34 -25.649 17.338 -20.899 1.00 74.32 H new ATOM 0 HB2 HIS A 34 -24.708 19.972 -22.087 1.00 73.33 H new ATOM 0 HB3 HIS A 34 -25.614 18.747 -22.953 1.00 73.33 H new ATOM 0 HD2 HIS A 34 -28.245 18.252 -21.679 1.00 20.34 H new ATOM 0 HE1 HIS A 34 -28.503 22.239 -20.325 1.00 51.31 H new ATOM 0 HE2 HIS A 34 -29.853 20.114 -20.739 1.00 74.05 H new ATOM 535 N LYS A 35 -23.627 16.164 -21.708 1.00 32.01 N ATOM 536 CA LYS A 35 -22.509 15.444 -22.291 1.00 51.31 C ATOM 537 C LYS A 35 -22.797 15.117 -23.750 1.00 71.34 C ATOM 538 O LYS A 35 -23.897 15.370 -24.245 1.00 33.32 O ATOM 539 CB LYS A 35 -22.244 14.151 -21.520 1.00 25.22 C ATOM 540 CG LYS A 35 -23.424 13.193 -21.532 1.00 62.34 C ATOM 541 CD LYS A 35 -23.036 11.818 -21.020 1.00 22.41 C ATOM 542 CE LYS A 35 -24.209 10.856 -21.080 1.00 60.30 C ATOM 543 NZ LYS A 35 -23.795 9.460 -20.794 1.00 60.45 N ATOM 0 H LYS A 35 -24.372 15.567 -21.350 1.00 32.01 H new ATOM 0 HA LYS A 35 -21.625 16.079 -22.232 1.00 51.31 H new ATOM 0 HB2 LYS A 35 -21.375 13.652 -21.949 1.00 25.22 H new ATOM 0 HB3 LYS A 35 -21.994 14.396 -20.488 1.00 25.22 H new ATOM 0 HG2 LYS A 35 -24.227 13.597 -20.916 1.00 62.34 H new ATOM 0 HG3 LYS A 35 -23.813 13.107 -22.547 1.00 62.34 H new ATOM 0 HD2 LYS A 35 -22.211 11.426 -21.614 1.00 22.41 H new ATOM 0 HD3 LYS A 35 -22.680 11.897 -19.993 1.00 22.41 H new ATOM 0 HE2 LYS A 35 -24.968 11.164 -20.361 1.00 60.30 H new ATOM 0 HE3 LYS A 35 -24.667 10.904 -22.068 1.00 60.30 H new ATOM 0 HZ1 LYS A 35 -24.372 8.804 -21.359 1.00 60.45 H new ATOM 0 HZ2 LYS A 35 -22.792 9.338 -21.040 1.00 60.45 H new ATOM 0 HZ3 LYS A 35 -23.931 9.258 -19.783 1.00 60.45 H new ATOM 557 N THR A 36 -21.808 14.564 -24.434 1.00 44.14 N ATOM 558 CA THR A 36 -21.989 14.121 -25.802 1.00 63.12 C ATOM 559 C THR A 36 -22.895 12.889 -25.858 1.00 53.42 C ATOM 560 O THR A 36 -22.783 11.977 -25.033 1.00 33.31 O ATOM 561 CB THR A 36 -20.631 13.821 -26.479 1.00 72.12 C ATOM 562 OG1 THR A 36 -20.828 13.441 -27.848 1.00 1.11 O ATOM 563 CG2 THR A 36 -19.875 12.721 -25.748 1.00 11.34 C ATOM 0 H THR A 36 -20.871 14.412 -24.061 1.00 44.14 H new ATOM 0 HA THR A 36 -22.469 14.931 -26.351 1.00 63.12 H new ATOM 0 HB THR A 36 -20.035 14.733 -26.437 1.00 72.12 H new ATOM 0 HG1 THR A 36 -19.960 13.256 -28.264 1.00 1.11 H new ATOM 0 HG21 THR A 36 -18.926 12.536 -26.251 1.00 11.34 H new ATOM 0 HG22 THR A 36 -19.687 13.030 -24.720 1.00 11.34 H new ATOM 0 HG23 THR A 36 -20.470 11.808 -25.749 1.00 11.34 H new ATOM 571 N LEU A 37 -23.805 12.883 -26.821 1.00 44.43 N ATOM 572 CA LEU A 37 -24.742 11.782 -26.994 1.00 10.43 C ATOM 573 C LEU A 37 -24.384 10.977 -28.234 1.00 5.34 C ATOM 574 O LEU A 37 -24.487 11.475 -29.357 1.00 44.32 O ATOM 575 CB LEU A 37 -26.174 12.316 -27.110 1.00 0.33 C ATOM 576 CG LEU A 37 -27.247 11.275 -27.457 1.00 33.12 C ATOM 577 CD1 LEU A 37 -27.356 10.228 -26.359 1.00 14.52 C ATOM 578 CD2 LEU A 37 -28.589 11.958 -27.687 1.00 52.51 C ATOM 0 H LEU A 37 -23.915 13.636 -27.501 1.00 44.43 H new ATOM 0 HA LEU A 37 -24.679 11.132 -26.121 1.00 10.43 H new ATOM 0 HB2 LEU A 37 -26.444 12.788 -26.165 1.00 0.33 H new ATOM 0 HB3 LEU A 37 -26.191 13.096 -27.872 1.00 0.33 H new ATOM 0 HG LEU A 37 -26.954 10.769 -28.377 1.00 33.12 H new ATOM 0 HD11 LEU A 37 -28.122 9.500 -26.625 1.00 14.52 H new ATOM 0 HD12 LEU A 37 -26.398 9.721 -26.243 1.00 14.52 H new ATOM 0 HD13 LEU A 37 -27.626 10.712 -25.420 1.00 14.52 H new ATOM 0 HD21 LEU A 37 -29.341 11.208 -27.932 1.00 52.51 H new ATOM 0 HD22 LEU A 37 -28.887 12.489 -26.783 1.00 52.51 H new ATOM 0 HD23 LEU A 37 -28.500 12.666 -28.511 1.00 52.51 H new ATOM 590 N LEU A 38 -23.944 9.744 -28.029 1.00 70.20 N ATOM 591 CA LEU A 38 -23.600 8.868 -29.137 1.00 30.03 C ATOM 592 C LEU A 38 -23.716 7.404 -28.730 1.00 72.32 C ATOM 593 O LEU A 38 -24.234 7.093 -27.655 1.00 22.22 O ATOM 594 CB LEU A 38 -22.188 9.175 -29.688 1.00 21.33 C ATOM 595 CG LEU A 38 -20.977 8.831 -28.801 1.00 43.13 C ATOM 596 CD1 LEU A 38 -19.686 9.108 -29.553 1.00 11.41 C ATOM 597 CD2 LEU A 38 -21.003 9.618 -27.504 1.00 3.54 C ATOM 0 H LEU A 38 -23.817 9.329 -27.106 1.00 70.20 H new ATOM 0 HA LEU A 38 -24.314 9.058 -29.938 1.00 30.03 H new ATOM 0 HB2 LEU A 38 -22.074 8.641 -30.631 1.00 21.33 H new ATOM 0 HB3 LEU A 38 -22.143 10.240 -29.917 1.00 21.33 H new ATOM 0 HG LEU A 38 -21.030 7.771 -28.553 1.00 43.13 H new ATOM 0 HD11 LEU A 38 -18.835 8.862 -28.918 1.00 11.41 H new ATOM 0 HD12 LEU A 38 -19.653 8.499 -30.456 1.00 11.41 H new ATOM 0 HD13 LEU A 38 -19.643 10.163 -29.825 1.00 11.41 H new ATOM 0 HD21 LEU A 38 -20.135 9.353 -26.900 1.00 3.54 H new ATOM 0 HD22 LEU A 38 -20.979 10.685 -27.725 1.00 3.54 H new ATOM 0 HD23 LEU A 38 -21.914 9.382 -26.954 1.00 3.54 H new ATOM 609 N ASN A 39 -23.263 6.527 -29.623 1.00 20.50 N ATOM 610 CA ASN A 39 -23.277 5.073 -29.423 1.00 34.21 C ATOM 611 C ASN A 39 -22.899 4.684 -27.997 1.00 12.45 C ATOM 612 O ASN A 39 -23.707 4.132 -27.250 1.00 65.42 O ATOM 613 CB ASN A 39 -22.285 4.437 -30.396 1.00 51.23 C ATOM 614 CG ASN A 39 -22.212 2.926 -30.269 1.00 45.41 C ATOM 615 OD1 ASN A 39 -22.985 2.204 -30.900 1.00 73.54 O ATOM 616 ND2 ASN A 39 -21.274 2.429 -29.476 1.00 42.53 N ATOM 0 H ASN A 39 -22.869 6.807 -30.521 1.00 20.50 H new ATOM 0 HA ASN A 39 -24.291 4.716 -29.604 1.00 34.21 H new ATOM 0 HB2 ASN A 39 -22.568 4.697 -31.416 1.00 51.23 H new ATOM 0 HB3 ASN A 39 -21.295 4.858 -30.223 1.00 51.23 H new ATOM 0 HD21 ASN A 39 -21.175 1.419 -29.374 1.00 42.53 H new ATOM 0 HD22 ASN A 39 -20.651 3.056 -28.968 1.00 42.53 H new ATOM 623 N THR A 40 -21.662 4.967 -27.644 1.00 71.12 N ATOM 624 CA THR A 40 -21.153 4.697 -26.317 1.00 51.32 C ATOM 625 C THR A 40 -20.738 6.008 -25.672 1.00 72.44 C ATOM 626 O THR A 40 -21.215 7.062 -26.074 1.00 24.22 O ATOM 627 CB THR A 40 -19.961 3.727 -26.392 1.00 60.33 C ATOM 628 OG1 THR A 40 -19.308 3.854 -27.665 1.00 51.22 O ATOM 629 CG2 THR A 40 -20.420 2.292 -26.184 1.00 64.23 C ATOM 0 H THR A 40 -20.980 5.392 -28.272 1.00 71.12 H new ATOM 0 HA THR A 40 -21.930 4.229 -25.713 1.00 51.32 H new ATOM 0 HB THR A 40 -19.257 3.981 -25.599 1.00 60.33 H new ATOM 0 HG1 THR A 40 -18.549 3.235 -27.707 1.00 51.22 H new ATOM 0 HG21 THR A 40 -19.561 1.623 -26.241 1.00 64.23 H new ATOM 0 HG22 THR A 40 -20.888 2.198 -25.204 1.00 64.23 H new ATOM 0 HG23 THR A 40 -21.140 2.025 -26.957 1.00 64.23 H new ATOM 637 N GLU A 41 -19.874 5.970 -24.678 1.00 34.02 N ATOM 638 CA GLU A 41 -19.393 7.202 -24.091 1.00 62.10 C ATOM 639 C GLU A 41 -18.077 7.609 -24.718 1.00 14.24 C ATOM 640 O GLU A 41 -17.020 7.067 -24.388 1.00 23.42 O ATOM 641 CB GLU A 41 -19.261 7.075 -22.581 1.00 32.00 C ATOM 642 CG GLU A 41 -20.582 6.772 -21.909 1.00 33.32 C ATOM 643 CD GLU A 41 -21.664 7.762 -22.280 1.00 54.43 C ATOM 644 OE1 GLU A 41 -21.495 8.967 -22.013 1.00 13.10 O ATOM 645 OE2 GLU A 41 -22.693 7.334 -22.844 1.00 1.22 O ATOM 0 H GLU A 41 -19.497 5.116 -24.267 1.00 34.02 H new ATOM 0 HA GLU A 41 -20.125 7.984 -24.294 1.00 62.10 H new ATOM 0 HB2 GLU A 41 -18.548 6.285 -22.347 1.00 32.00 H new ATOM 0 HB3 GLU A 41 -18.855 8.002 -22.176 1.00 32.00 H new ATOM 0 HG2 GLU A 41 -20.904 5.768 -22.185 1.00 33.32 H new ATOM 0 HG3 GLU A 41 -20.445 6.777 -20.828 1.00 33.32 H new ATOM 652 N LEU A 42 -18.175 8.538 -25.660 1.00 34.11 N ATOM 653 CA LEU A 42 -17.014 9.101 -26.335 1.00 61.35 C ATOM 654 C LEU A 42 -15.950 9.503 -25.320 1.00 31.22 C ATOM 655 O LEU A 42 -14.832 8.985 -25.339 1.00 63.30 O ATOM 656 CB LEU A 42 -17.424 10.321 -27.165 1.00 60.35 C ATOM 657 CG LEU A 42 -16.280 11.038 -27.889 1.00 73.25 C ATOM 658 CD1 LEU A 42 -15.628 10.116 -28.907 1.00 25.24 C ATOM 659 CD2 LEU A 42 -16.784 12.306 -28.560 1.00 10.53 C ATOM 0 H LEU A 42 -19.064 8.923 -25.978 1.00 34.11 H new ATOM 0 HA LEU A 42 -16.600 8.341 -26.998 1.00 61.35 H new ATOM 0 HB2 LEU A 42 -18.159 10.005 -27.906 1.00 60.35 H new ATOM 0 HB3 LEU A 42 -17.920 11.036 -26.509 1.00 60.35 H new ATOM 0 HG LEU A 42 -15.528 11.316 -27.150 1.00 73.25 H new ATOM 0 HD11 LEU A 42 -14.818 10.644 -29.410 1.00 25.24 H new ATOM 0 HD12 LEU A 42 -15.228 9.238 -28.399 1.00 25.24 H new ATOM 0 HD13 LEU A 42 -16.369 9.804 -29.642 1.00 25.24 H new ATOM 0 HD21 LEU A 42 -15.957 12.802 -29.069 1.00 10.53 H new ATOM 0 HD22 LEU A 42 -17.557 12.051 -29.286 1.00 10.53 H new ATOM 0 HD23 LEU A 42 -17.200 12.975 -27.807 1.00 10.53 H new ATOM 671 N HIS A 43 -16.316 10.425 -24.438 1.00 43.12 N ATOM 672 CA HIS A 43 -15.439 10.861 -23.362 1.00 72.10 C ATOM 673 C HIS A 43 -16.201 11.758 -22.395 1.00 53.10 C ATOM 674 O HIS A 43 -16.430 12.934 -22.676 1.00 51.35 O ATOM 675 CB HIS A 43 -14.217 11.612 -23.916 1.00 55.55 C ATOM 676 CG HIS A 43 -13.142 11.876 -22.897 1.00 14.04 C ATOM 677 ND1 HIS A 43 -11.850 11.408 -23.003 1.00 52.32 N ATOM 678 CD2 HIS A 43 -13.185 12.584 -21.738 1.00 54.53 C ATOM 679 CE1 HIS A 43 -11.166 11.832 -21.933 1.00 52.21 C ATOM 680 NE2 HIS A 43 -11.932 12.551 -21.134 1.00 51.23 N ATOM 0 H HIS A 43 -17.225 10.889 -24.449 1.00 43.12 H new ATOM 0 HA HIS A 43 -15.088 9.975 -22.832 1.00 72.10 H new ATOM 0 HB2 HIS A 43 -13.791 11.034 -24.736 1.00 55.55 H new ATOM 0 HB3 HIS A 43 -14.548 12.563 -24.334 1.00 55.55 H new ATOM 0 HD2 HIS A 43 -14.054 13.092 -21.347 1.00 54.53 H new ATOM 0 HE1 HIS A 43 -10.124 11.614 -21.748 1.00 52.21 H new ATOM 0 HE2 HIS A 43 -11.661 12.992 -20.255 1.00 51.23 H new ATOM 688 N LEU A 44 -16.627 11.190 -21.280 1.00 34.05 N ATOM 689 CA LEU A 44 -17.189 11.970 -20.196 1.00 32.23 C ATOM 690 C LEU A 44 -16.330 11.769 -18.962 1.00 11.42 C ATOM 691 O LEU A 44 -15.696 10.721 -18.819 1.00 34.30 O ATOM 692 CB LEU A 44 -18.633 11.541 -19.909 1.00 11.12 C ATOM 693 CG LEU A 44 -19.314 12.278 -18.751 1.00 65.24 C ATOM 694 CD1 LEU A 44 -19.506 13.749 -19.087 1.00 70.34 C ATOM 695 CD2 LEU A 44 -20.642 11.626 -18.408 1.00 2.10 C ATOM 0 H LEU A 44 -16.593 10.186 -21.103 1.00 34.05 H new ATOM 0 HA LEU A 44 -17.203 13.023 -20.476 1.00 32.23 H new ATOM 0 HB2 LEU A 44 -19.226 11.689 -20.812 1.00 11.12 H new ATOM 0 HB3 LEU A 44 -18.642 10.472 -19.694 1.00 11.12 H new ATOM 0 HG LEU A 44 -18.666 12.212 -17.877 1.00 65.24 H new ATOM 0 HD11 LEU A 44 -19.991 14.253 -18.251 1.00 70.34 H new ATOM 0 HD12 LEU A 44 -18.536 14.209 -19.274 1.00 70.34 H new ATOM 0 HD13 LEU A 44 -20.129 13.841 -19.977 1.00 70.34 H new ATOM 0 HD21 LEU A 44 -21.109 12.164 -17.583 1.00 2.10 H new ATOM 0 HD22 LEU A 44 -21.297 11.656 -19.278 1.00 2.10 H new ATOM 0 HD23 LEU A 44 -20.474 10.590 -18.116 1.00 2.10 H new ATOM 707 N THR A 45 -16.277 12.771 -18.097 1.00 25.35 N ATOM 708 CA THR A 45 -15.578 12.635 -16.834 1.00 43.21 C ATOM 709 C THR A 45 -16.210 11.508 -16.026 1.00 32.32 C ATOM 710 O THR A 45 -17.286 11.662 -15.451 1.00 53.44 O ATOM 711 CB THR A 45 -15.628 13.939 -16.028 1.00 55.41 C ATOM 712 OG1 THR A 45 -15.382 15.054 -16.898 1.00 14.12 O ATOM 713 CG2 THR A 45 -14.598 13.926 -14.908 1.00 2.22 C ATOM 0 H THR A 45 -16.709 13.683 -18.248 1.00 25.35 H new ATOM 0 HA THR A 45 -14.533 12.405 -17.042 1.00 43.21 H new ATOM 0 HB THR A 45 -16.619 14.031 -15.583 1.00 55.41 H new ATOM 0 HG1 THR A 45 -15.416 15.886 -16.381 1.00 14.12 H new ATOM 0 HG21 THR A 45 -14.654 14.862 -14.352 1.00 2.22 H new ATOM 0 HG22 THR A 45 -14.801 13.092 -14.237 1.00 2.22 H new ATOM 0 HG23 THR A 45 -13.600 13.815 -15.333 1.00 2.22 H new ATOM 721 N LYS A 46 -15.557 10.366 -16.024 1.00 42.03 N ATOM 722 CA LYS A 46 -16.112 9.184 -15.400 1.00 62.45 C ATOM 723 C LYS A 46 -15.170 8.658 -14.326 1.00 21.12 C ATOM 724 O LYS A 46 -13.955 8.851 -14.400 1.00 20.24 O ATOM 725 CB LYS A 46 -16.430 8.122 -16.466 1.00 73.15 C ATOM 726 CG LYS A 46 -15.430 6.984 -16.560 1.00 32.31 C ATOM 727 CD LYS A 46 -14.079 7.422 -17.091 1.00 24.12 C ATOM 728 CE LYS A 46 -13.059 6.338 -16.827 1.00 12.04 C ATOM 729 NZ LYS A 46 -11.714 6.650 -17.380 1.00 70.15 N ATOM 0 H LYS A 46 -14.639 10.231 -16.448 1.00 42.03 H new ATOM 0 HA LYS A 46 -17.049 9.442 -14.907 1.00 62.45 H new ATOM 0 HB2 LYS A 46 -17.415 7.703 -16.257 1.00 73.15 H new ATOM 0 HB3 LYS A 46 -16.492 8.612 -17.438 1.00 73.15 H new ATOM 0 HG2 LYS A 46 -15.299 6.541 -15.573 1.00 32.31 H new ATOM 0 HG3 LYS A 46 -15.834 6.206 -17.208 1.00 32.31 H new ATOM 0 HD2 LYS A 46 -14.144 7.622 -18.160 1.00 24.12 H new ATOM 0 HD3 LYS A 46 -13.771 8.351 -16.611 1.00 24.12 H new ATOM 0 HE2 LYS A 46 -12.975 6.182 -15.752 1.00 12.04 H new ATOM 0 HE3 LYS A 46 -13.414 5.402 -17.258 1.00 12.04 H new ATOM 0 HZ1 LYS A 46 -11.061 5.869 -17.166 1.00 70.15 H new ATOM 0 HZ2 LYS A 46 -11.782 6.772 -18.411 1.00 70.15 H new ATOM 0 HZ3 LYS A 46 -11.357 7.527 -16.951 1.00 70.15 H new ATOM 743 N TYR A 47 -15.734 8.013 -13.325 1.00 44.41 N ATOM 744 CA TYR A 47 -14.965 7.560 -12.182 1.00 2.10 C ATOM 745 C TYR A 47 -15.089 6.057 -12.018 1.00 11.20 C ATOM 746 O TYR A 47 -16.115 5.466 -12.354 1.00 54.44 O ATOM 747 CB TYR A 47 -15.447 8.258 -10.905 1.00 1.14 C ATOM 748 CG TYR A 47 -15.004 9.700 -10.758 1.00 22.31 C ATOM 749 CD1 TYR A 47 -15.223 10.631 -11.763 1.00 0.22 C ATOM 750 CD2 TYR A 47 -14.366 10.127 -9.602 1.00 22.31 C ATOM 751 CE1 TYR A 47 -14.820 11.943 -11.624 1.00 13.45 C ATOM 752 CE2 TYR A 47 -13.960 11.437 -9.454 1.00 23.45 C ATOM 753 CZ TYR A 47 -14.189 12.341 -10.467 1.00 14.10 C ATOM 754 OH TYR A 47 -13.786 13.648 -10.324 1.00 12.21 O ATOM 0 H TYR A 47 -16.728 7.789 -13.280 1.00 44.41 H new ATOM 0 HA TYR A 47 -13.919 7.812 -12.355 1.00 2.10 H new ATOM 0 HB2 TYR A 47 -16.536 8.224 -10.879 1.00 1.14 H new ATOM 0 HB3 TYR A 47 -15.090 7.694 -10.043 1.00 1.14 H new ATOM 0 HD1 TYR A 47 -15.719 10.323 -12.672 1.00 0.22 H new ATOM 0 HD2 TYR A 47 -14.184 9.422 -8.805 1.00 22.31 H new ATOM 0 HE1 TYR A 47 -14.998 12.653 -12.418 1.00 13.45 H new ATOM 0 HE2 TYR A 47 -13.465 11.752 -8.548 1.00 23.45 H new ATOM 0 HH TYR A 47 -13.358 13.765 -9.450 1.00 12.21 H new ATOM 764 N TYR A 48 -14.036 5.441 -11.518 1.00 74.54 N ATOM 765 CA TYR A 48 -14.069 4.031 -11.187 1.00 53.34 C ATOM 766 C TYR A 48 -14.663 3.864 -9.801 1.00 11.25 C ATOM 767 O TYR A 48 -14.084 4.317 -8.810 1.00 0.40 O ATOM 768 CB TYR A 48 -12.668 3.410 -11.224 1.00 62.15 C ATOM 769 CG TYR A 48 -11.989 3.464 -12.575 1.00 54.05 C ATOM 770 CD1 TYR A 48 -12.679 3.852 -13.713 1.00 12.34 C ATOM 771 CD2 TYR A 48 -10.650 3.127 -12.706 1.00 3.13 C ATOM 772 CE1 TYR A 48 -12.054 3.905 -14.940 1.00 25.50 C ATOM 773 CE2 TYR A 48 -10.015 3.179 -13.932 1.00 30.30 C ATOM 774 CZ TYR A 48 -10.723 3.569 -15.047 1.00 73.00 C ATOM 775 OH TYR A 48 -10.100 3.635 -16.272 1.00 15.24 O ATOM 0 H TYR A 48 -13.143 5.898 -11.332 1.00 74.54 H new ATOM 0 HA TYR A 48 -14.681 3.517 -11.929 1.00 53.34 H new ATOM 0 HB2 TYR A 48 -12.039 3.922 -10.496 1.00 62.15 H new ATOM 0 HB3 TYR A 48 -12.738 2.369 -10.909 1.00 62.15 H new ATOM 0 HD1 TYR A 48 -13.723 4.117 -13.637 1.00 12.34 H new ATOM 0 HD2 TYR A 48 -10.093 2.818 -11.834 1.00 3.13 H new ATOM 0 HE1 TYR A 48 -12.607 4.210 -15.816 1.00 25.50 H new ATOM 0 HE2 TYR A 48 -8.971 2.916 -14.015 1.00 30.30 H new ATOM 0 HH TYR A 48 -9.162 3.367 -16.177 1.00 15.24 H new ATOM 785 N GLY A 49 -15.832 3.255 -9.740 1.00 41.13 N ATOM 786 CA GLY A 49 -16.462 2.990 -8.468 1.00 53.53 C ATOM 787 C GLY A 49 -15.873 1.768 -7.796 1.00 22.35 C ATOM 788 O GLY A 49 -16.463 0.683 -7.825 1.00 31.02 O ATOM 0 H GLY A 49 -16.359 2.937 -10.553 1.00 41.13 H new ATOM 0 HA2 GLY A 49 -16.345 3.856 -7.816 1.00 53.53 H new ATOM 0 HA3 GLY A 49 -17.532 2.844 -8.615 1.00 53.53 H new ATOM 792 N PHE A 50 -14.690 1.939 -7.219 1.00 43.41 N ATOM 793 CA PHE A 50 -14.027 0.866 -6.493 1.00 53.44 C ATOM 794 C PHE A 50 -14.672 0.690 -5.133 1.00 22.23 C ATOM 795 O PHE A 50 -14.577 1.561 -4.272 1.00 31.14 O ATOM 796 CB PHE A 50 -12.535 1.155 -6.327 1.00 64.33 C ATOM 797 CG PHE A 50 -11.669 0.549 -7.398 1.00 11.52 C ATOM 798 CD1 PHE A 50 -11.325 -0.792 -7.339 1.00 62.22 C ATOM 799 CD2 PHE A 50 -11.194 1.309 -8.457 1.00 32.13 C ATOM 800 CE1 PHE A 50 -10.526 -1.361 -8.310 1.00 24.13 C ATOM 801 CE2 PHE A 50 -10.395 0.746 -9.427 1.00 1.24 C ATOM 802 CZ PHE A 50 -10.060 -0.588 -9.356 1.00 53.14 C ATOM 0 H PHE A 50 -14.169 2.816 -7.241 1.00 43.41 H new ATOM 0 HA PHE A 50 -14.135 -0.053 -7.069 1.00 53.44 H new ATOM 0 HB2 PHE A 50 -12.384 2.234 -6.320 1.00 64.33 H new ATOM 0 HB3 PHE A 50 -12.209 0.781 -5.356 1.00 64.33 H new ATOM 0 HD1 PHE A 50 -11.687 -1.400 -6.523 1.00 62.22 H new ATOM 0 HD2 PHE A 50 -11.454 2.355 -8.521 1.00 32.13 H new ATOM 0 HE1 PHE A 50 -10.266 -2.408 -8.252 1.00 24.13 H new ATOM 0 HE2 PHE A 50 -10.031 1.351 -10.244 1.00 1.24 H new ATOM 0 HZ PHE A 50 -9.434 -1.029 -10.117 1.00 53.14 H new ATOM 812 N SER A 51 -15.346 -0.425 -4.948 1.00 31.34 N ATOM 813 CA SER A 51 -16.077 -0.658 -3.719 1.00 73.11 C ATOM 814 C SER A 51 -15.763 -2.034 -3.151 1.00 21.34 C ATOM 815 O SER A 51 -15.622 -3.003 -3.899 1.00 42.22 O ATOM 816 CB SER A 51 -17.573 -0.546 -3.988 1.00 24.22 C ATOM 817 OG SER A 51 -17.829 0.411 -4.997 1.00 31.20 O ATOM 0 H SER A 51 -15.404 -1.182 -5.629 1.00 31.34 H new ATOM 0 HA SER A 51 -15.774 0.093 -2.989 1.00 73.11 H new ATOM 0 HB2 SER A 51 -17.967 -1.516 -4.292 1.00 24.22 H new ATOM 0 HB3 SER A 51 -18.092 -0.264 -3.072 1.00 24.22 H new ATOM 0 HG SER A 51 -18.052 1.271 -4.583 1.00 31.20 H new ATOM 823 N PHE A 52 -15.653 -2.119 -1.835 1.00 72.42 N ATOM 824 CA PHE A 52 -15.491 -3.403 -1.184 1.00 11.41 C ATOM 825 C PHE A 52 -16.817 -3.852 -0.601 1.00 64.10 C ATOM 826 O PHE A 52 -17.406 -3.159 0.242 1.00 51.40 O ATOM 827 CB PHE A 52 -14.441 -3.377 -0.071 1.00 54.24 C ATOM 828 CG PHE A 52 -14.136 -4.763 0.431 1.00 52.41 C ATOM 829 CD1 PHE A 52 -14.938 -5.360 1.393 1.00 52.24 C ATOM 830 CD2 PHE A 52 -13.073 -5.484 -0.087 1.00 40.54 C ATOM 831 CE1 PHE A 52 -14.681 -6.643 1.830 1.00 52.14 C ATOM 832 CE2 PHE A 52 -12.817 -6.770 0.342 1.00 50.31 C ATOM 833 CZ PHE A 52 -13.621 -7.350 1.301 1.00 5.24 C ATOM 0 H PHE A 52 -15.673 -1.319 -1.203 1.00 72.42 H new ATOM 0 HA PHE A 52 -15.146 -4.102 -1.946 1.00 11.41 H new ATOM 0 HB2 PHE A 52 -13.527 -2.914 -0.442 1.00 54.24 H new ATOM 0 HB3 PHE A 52 -14.798 -2.760 0.754 1.00 54.24 H new ATOM 0 HD1 PHE A 52 -15.774 -4.814 1.805 1.00 52.24 H new ATOM 0 HD2 PHE A 52 -12.437 -5.034 -0.835 1.00 40.54 H new ATOM 0 HE1 PHE A 52 -15.309 -7.093 2.585 1.00 52.14 H new ATOM 0 HE2 PHE A 52 -11.987 -7.323 -0.073 1.00 50.31 H new ATOM 0 HZ PHE A 52 -13.421 -8.357 1.637 1.00 5.24 H new ATOM 843 N PHE A 53 -17.263 -5.013 -1.045 1.00 4.33 N ATOM 844 CA PHE A 53 -18.511 -5.593 -0.586 1.00 52.15 C ATOM 845 C PHE A 53 -18.289 -6.654 0.474 1.00 51.32 C ATOM 846 O PHE A 53 -17.405 -7.499 0.350 1.00 60.53 O ATOM 847 CB PHE A 53 -19.261 -6.228 -1.752 1.00 3.02 C ATOM 848 CG PHE A 53 -20.129 -5.273 -2.503 1.00 54.13 C ATOM 849 CD1 PHE A 53 -19.621 -4.511 -3.535 1.00 72.44 C ATOM 850 CD2 PHE A 53 -21.461 -5.144 -2.167 1.00 75.25 C ATOM 851 CE1 PHE A 53 -20.433 -3.632 -4.220 1.00 64.15 C ATOM 852 CE2 PHE A 53 -22.279 -4.268 -2.846 1.00 23.21 C ATOM 853 CZ PHE A 53 -21.764 -3.510 -3.875 1.00 75.30 C ATOM 0 H PHE A 53 -16.770 -5.580 -1.734 1.00 4.33 H new ATOM 0 HA PHE A 53 -19.095 -4.781 -0.153 1.00 52.15 H new ATOM 0 HB2 PHE A 53 -18.539 -6.666 -2.441 1.00 3.02 H new ATOM 0 HB3 PHE A 53 -19.877 -7.044 -1.374 1.00 3.02 H new ATOM 0 HD1 PHE A 53 -18.580 -4.604 -3.808 1.00 72.44 H new ATOM 0 HD2 PHE A 53 -21.867 -5.737 -1.361 1.00 75.25 H new ATOM 0 HE1 PHE A 53 -20.028 -3.039 -5.026 1.00 64.15 H new ATOM 0 HE2 PHE A 53 -23.320 -4.176 -2.573 1.00 23.21 H new ATOM 0 HZ PHE A 53 -22.401 -2.822 -4.411 1.00 75.30 H new ATOM 863 N ARG A 54 -19.098 -6.593 1.514 1.00 43.53 N ATOM 864 CA ARG A 54 -19.230 -7.696 2.448 1.00 71.51 C ATOM 865 C ARG A 54 -20.713 -7.923 2.716 1.00 11.32 C ATOM 866 O ARG A 54 -21.394 -7.025 3.216 1.00 61.01 O ATOM 867 CB ARG A 54 -18.500 -7.442 3.772 1.00 65.14 C ATOM 868 CG ARG A 54 -18.595 -8.637 4.709 1.00 14.51 C ATOM 869 CD ARG A 54 -17.964 -8.382 6.068 1.00 74.05 C ATOM 870 NE ARG A 54 -18.108 -9.557 6.936 1.00 13.05 N ATOM 871 CZ ARG A 54 -18.017 -9.528 8.272 1.00 25.31 C ATOM 872 NH1 ARG A 54 -17.742 -8.399 8.897 1.00 2.03 N ATOM 873 NH2 ARG A 54 -18.197 -10.635 8.985 1.00 3.21 N ATOM 0 H ARG A 54 -19.679 -5.784 1.735 1.00 43.53 H new ATOM 0 HA ARG A 54 -18.770 -8.576 1.999 1.00 71.51 H new ATOM 0 HB2 ARG A 54 -17.452 -7.220 3.572 1.00 65.14 H new ATOM 0 HB3 ARG A 54 -18.925 -6.564 4.259 1.00 65.14 H new ATOM 0 HG2 ARG A 54 -19.644 -8.901 4.846 1.00 14.51 H new ATOM 0 HG3 ARG A 54 -18.108 -9.495 4.245 1.00 14.51 H new ATOM 0 HD2 ARG A 54 -16.908 -8.142 5.945 1.00 74.05 H new ATOM 0 HD3 ARG A 54 -18.435 -7.518 6.537 1.00 74.05 H new ATOM 0 HE ARG A 54 -18.290 -10.457 6.491 1.00 13.05 H new ATOM 0 HH11 ARG A 54 -17.597 -7.542 8.363 1.00 2.03 H new ATOM 0 HH12 ARG A 54 -17.674 -8.383 9.915 1.00 2.03 H new ATOM 0 HH21 ARG A 54 -18.406 -11.516 8.515 1.00 3.21 H new ATOM 0 HH22 ARG A 54 -18.126 -10.604 10.002 1.00 3.21 H new ATOM 887 N HIS A 55 -21.214 -9.104 2.355 1.00 62.11 N ATOM 888 CA HIS A 55 -22.639 -9.437 2.508 1.00 43.43 C ATOM 889 C HIS A 55 -23.525 -8.553 1.642 1.00 41.14 C ATOM 890 O HIS A 55 -24.717 -8.402 1.907 1.00 14.11 O ATOM 891 CB HIS A 55 -23.081 -9.319 3.966 1.00 62.12 C ATOM 892 CG HIS A 55 -22.746 -10.519 4.783 1.00 42.55 C ATOM 893 ND1 HIS A 55 -23.690 -11.396 5.262 1.00 42.01 N ATOM 894 CD2 HIS A 55 -21.545 -10.986 5.210 1.00 72.12 C ATOM 895 CE1 HIS A 55 -23.055 -12.345 5.946 1.00 21.04 C ATOM 896 NE2 HIS A 55 -21.749 -12.145 5.948 1.00 71.42 N ATOM 0 H HIS A 55 -20.653 -9.854 1.951 1.00 62.11 H new ATOM 0 HA HIS A 55 -22.752 -10.470 2.180 1.00 43.43 H new ATOM 0 HB2 HIS A 55 -22.610 -8.442 4.411 1.00 62.12 H new ATOM 0 HB3 HIS A 55 -24.158 -9.154 4.000 1.00 62.12 H new ATOM 0 HD1 HIS A 55 -24.698 -11.331 5.119 1.00 42.01 H new ATOM 0 HD2 HIS A 55 -20.587 -10.530 5.009 1.00 72.12 H new ATOM 0 HE1 HIS A 55 -23.545 -13.173 6.437 1.00 21.04 H new ATOM 904 N GLY A 56 -22.948 -7.984 0.599 1.00 34.42 N ATOM 905 CA GLY A 56 -23.696 -7.087 -0.253 1.00 0.24 C ATOM 906 C GLY A 56 -23.715 -5.671 0.286 1.00 34.54 C ATOM 907 O GLY A 56 -24.349 -4.789 -0.294 1.00 13.15 O ATOM 0 H GLY A 56 -21.976 -8.126 0.326 1.00 34.42 H new ATOM 0 HA2 GLY A 56 -23.259 -7.088 -1.252 1.00 0.24 H new ATOM 0 HA3 GLY A 56 -24.719 -7.450 -0.352 1.00 0.24 H new ATOM 911 N ASN A 57 -23.027 -5.450 1.400 1.00 75.12 N ATOM 912 CA ASN A 57 -22.913 -4.111 1.964 1.00 12.21 C ATOM 913 C ASN A 57 -21.626 -3.470 1.504 1.00 13.14 C ATOM 914 O ASN A 57 -20.748 -4.137 0.955 1.00 24.44 O ATOM 915 CB ASN A 57 -22.922 -4.120 3.495 1.00 12.01 C ATOM 916 CG ASN A 57 -24.100 -4.854 4.076 1.00 3.03 C ATOM 917 OD1 ASN A 57 -25.179 -4.291 4.265 1.00 1.35 O ATOM 918 ND2 ASN A 57 -23.885 -6.111 4.383 1.00 33.43 N ATOM 0 H ASN A 57 -22.542 -6.176 1.928 1.00 75.12 H new ATOM 0 HA ASN A 57 -23.779 -3.548 1.617 1.00 12.21 H new ATOM 0 HB2 ASN A 57 -22.002 -4.580 3.855 1.00 12.01 H new ATOM 0 HB3 ASN A 57 -22.927 -3.092 3.858 1.00 12.01 H new ATOM 0 HD21 ASN A 57 -24.631 -6.669 4.799 1.00 33.43 H new ATOM 0 HD22 ASN A 57 -22.972 -6.530 4.206 1.00 33.43 H new ATOM 925 N ILE A 58 -21.504 -2.189 1.765 1.00 55.01 N ATOM 926 CA ILE A 58 -20.314 -1.451 1.389 1.00 75.11 C ATOM 927 C ILE A 58 -19.486 -1.123 2.610 1.00 54.50 C ATOM 928 O ILE A 58 -19.882 -0.325 3.460 1.00 71.43 O ATOM 929 CB ILE A 58 -20.649 -0.157 0.623 1.00 41.30 C ATOM 930 CG1 ILE A 58 -21.234 -0.506 -0.743 1.00 21.04 C ATOM 931 CG2 ILE A 58 -19.409 0.723 0.472 1.00 23.33 C ATOM 932 CD1 ILE A 58 -20.236 -1.142 -1.686 1.00 44.31 C ATOM 0 H ILE A 58 -22.216 -1.632 2.238 1.00 55.01 H new ATOM 0 HA ILE A 58 -19.740 -2.093 0.721 1.00 75.11 H new ATOM 0 HB ILE A 58 -21.388 0.407 1.192 1.00 41.30 H new ATOM 0 HG12 ILE A 58 -22.075 -1.185 -0.606 1.00 21.04 H new ATOM 0 HG13 ILE A 58 -21.628 0.401 -1.202 1.00 21.04 H new ATOM 0 HG21 ILE A 58 -19.671 1.630 -0.072 1.00 23.33 H new ATOM 0 HG22 ILE A 58 -19.029 0.988 1.458 1.00 23.33 H new ATOM 0 HG23 ILE A 58 -18.641 0.179 -0.078 1.00 23.33 H new ATOM 0 HD11 ILE A 58 -20.723 -1.362 -2.636 1.00 44.31 H new ATOM 0 HD12 ILE A 58 -19.406 -0.456 -1.854 1.00 44.31 H new ATOM 0 HD13 ILE A 58 -19.860 -2.067 -1.248 1.00 44.31 H new ATOM 944 N VAL A 59 -18.343 -1.765 2.698 1.00 1.34 N ATOM 945 CA VAL A 59 -17.405 -1.496 3.768 1.00 31.54 C ATOM 946 C VAL A 59 -16.431 -0.410 3.331 1.00 0.34 C ATOM 947 O VAL A 59 -16.016 0.435 4.128 1.00 74.31 O ATOM 948 CB VAL A 59 -16.623 -2.764 4.174 1.00 11.21 C ATOM 949 CG1 VAL A 59 -15.612 -2.438 5.256 1.00 34.53 C ATOM 950 CG2 VAL A 59 -17.570 -3.863 4.641 1.00 70.11 C ATOM 0 H VAL A 59 -18.038 -2.481 2.039 1.00 1.34 H new ATOM 0 HA VAL A 59 -17.972 -1.162 4.637 1.00 31.54 H new ATOM 0 HB VAL A 59 -16.089 -3.129 3.297 1.00 11.21 H new ATOM 0 HG11 VAL A 59 -15.069 -3.342 5.531 1.00 34.53 H new ATOM 0 HG12 VAL A 59 -14.910 -1.692 4.885 1.00 34.53 H new ATOM 0 HG13 VAL A 59 -16.130 -2.045 6.131 1.00 34.53 H new ATOM 0 HG21 VAL A 59 -16.994 -4.745 4.921 1.00 70.11 H new ATOM 0 HG22 VAL A 59 -18.138 -3.512 5.502 1.00 70.11 H new ATOM 0 HG23 VAL A 59 -18.256 -4.119 3.834 1.00 70.11 H new ATOM 960 N ALA A 60 -16.089 -0.426 2.050 1.00 60.33 N ATOM 961 CA ALA A 60 -15.166 0.551 1.498 1.00 30.34 C ATOM 962 C ALA A 60 -15.630 1.026 0.132 1.00 34.23 C ATOM 963 O ALA A 60 -16.132 0.237 -0.664 1.00 72.01 O ATOM 964 CB ALA A 60 -13.774 -0.047 1.389 1.00 10.54 C ATOM 0 H ALA A 60 -16.438 -1.106 1.375 1.00 60.33 H new ATOM 0 HA ALA A 60 -15.138 1.408 2.171 1.00 30.34 H new ATOM 0 HB1 ALA A 60 -13.091 0.694 0.974 1.00 10.54 H new ATOM 0 HB2 ALA A 60 -13.428 -0.346 2.378 1.00 10.54 H new ATOM 0 HB3 ALA A 60 -13.803 -0.919 0.736 1.00 10.54 H new ATOM 970 N TYR A 61 -15.479 2.314 -0.127 1.00 45.21 N ATOM 971 CA TYR A 61 -15.761 2.862 -1.442 1.00 64.13 C ATOM 972 C TYR A 61 -14.763 3.968 -1.773 1.00 33.32 C ATOM 973 O TYR A 61 -14.592 4.917 -1.004 1.00 35.11 O ATOM 974 CB TYR A 61 -17.196 3.406 -1.514 1.00 1.31 C ATOM 975 CG TYR A 61 -17.710 3.590 -2.929 1.00 52.12 C ATOM 976 CD1 TYR A 61 -17.082 4.458 -3.812 1.00 32.22 C ATOM 977 CD2 TYR A 61 -18.812 2.878 -3.388 1.00 43.14 C ATOM 978 CE1 TYR A 61 -17.533 4.612 -5.106 1.00 63.31 C ATOM 979 CE2 TYR A 61 -19.268 3.025 -4.687 1.00 73.32 C ATOM 980 CZ TYR A 61 -18.624 3.895 -5.541 1.00 63.15 C ATOM 981 OH TYR A 61 -19.054 4.041 -6.841 1.00 63.31 O ATOM 0 H TYR A 61 -15.162 3.000 0.558 1.00 45.21 H new ATOM 0 HA TYR A 61 -15.663 2.061 -2.175 1.00 64.13 H new ATOM 0 HB2 TYR A 61 -17.860 2.725 -0.982 1.00 1.31 H new ATOM 0 HB3 TYR A 61 -17.238 4.363 -0.995 1.00 1.31 H new ATOM 0 HD1 TYR A 61 -16.224 5.023 -3.479 1.00 32.22 H new ATOM 0 HD2 TYR A 61 -19.321 2.199 -2.720 1.00 43.14 H new ATOM 0 HE1 TYR A 61 -17.031 5.294 -5.777 1.00 63.31 H new ATOM 0 HE2 TYR A 61 -20.123 2.461 -5.029 1.00 73.32 H new ATOM 0 HH TYR A 61 -20.012 4.248 -6.847 1.00 63.31 H new ATOM 991 N GLY A 62 -14.104 3.824 -2.911 1.00 14.50 N ATOM 992 CA GLY A 62 -13.184 4.832 -3.386 1.00 12.45 C ATOM 993 C GLY A 62 -13.487 5.233 -4.812 1.00 25.24 C ATOM 994 O GLY A 62 -13.205 4.488 -5.748 1.00 72.31 O ATOM 0 H GLY A 62 -14.193 3.012 -3.522 1.00 14.50 H new ATOM 0 HA2 GLY A 62 -13.239 5.709 -2.741 1.00 12.45 H new ATOM 0 HA3 GLY A 62 -12.164 4.453 -3.323 1.00 12.45 H new ATOM 998 N LYS A 63 -14.081 6.402 -4.980 1.00 3.55 N ATOM 999 CA LYS A 63 -14.458 6.884 -6.298 1.00 12.41 C ATOM 1000 C LYS A 63 -13.388 7.814 -6.857 1.00 2.14 C ATOM 1001 O LYS A 63 -13.102 8.863 -6.277 1.00 21.30 O ATOM 1002 CB LYS A 63 -15.791 7.625 -6.219 1.00 71.23 C ATOM 1003 CG LYS A 63 -16.339 8.045 -7.572 1.00 62.52 C ATOM 1004 CD LYS A 63 -17.468 7.135 -8.029 1.00 53.41 C ATOM 1005 CE LYS A 63 -18.683 7.265 -7.121 1.00 35.13 C ATOM 1006 NZ LYS A 63 -19.294 8.621 -7.188 1.00 43.35 N ATOM 0 H LYS A 63 -14.313 7.037 -4.217 1.00 3.55 H new ATOM 0 HA LYS A 63 -14.558 6.026 -6.963 1.00 12.41 H new ATOM 0 HB2 LYS A 63 -16.522 6.987 -5.723 1.00 71.23 H new ATOM 0 HB3 LYS A 63 -15.667 8.511 -5.596 1.00 71.23 H new ATOM 0 HG2 LYS A 63 -16.700 9.072 -7.516 1.00 62.52 H new ATOM 0 HG3 LYS A 63 -15.537 8.029 -8.310 1.00 62.52 H new ATOM 0 HD2 LYS A 63 -17.748 7.384 -9.053 1.00 53.41 H new ATOM 0 HD3 LYS A 63 -17.125 6.101 -8.035 1.00 53.41 H new ATOM 0 HE2 LYS A 63 -19.426 6.519 -7.403 1.00 35.13 H new ATOM 0 HE3 LYS A 63 -18.391 7.051 -6.093 1.00 35.13 H new ATOM 0 HZ1 LYS A 63 -20.223 8.607 -6.720 1.00 43.35 H new ATOM 0 HZ2 LYS A 63 -18.675 9.305 -6.708 1.00 43.35 H new ATOM 0 HZ3 LYS A 63 -19.412 8.900 -8.183 1.00 43.35 H new ATOM 1020 N SER A 64 -12.797 7.430 -7.978 1.00 72.32 N ATOM 1021 CA SER A 64 -11.791 8.256 -8.641 1.00 15.55 C ATOM 1022 C SER A 64 -11.698 7.910 -10.120 1.00 51.13 C ATOM 1023 O SER A 64 -11.991 6.786 -10.521 1.00 25.15 O ATOM 1024 CB SER A 64 -10.420 8.079 -7.987 1.00 2.13 C ATOM 1025 OG SER A 64 -10.447 8.458 -6.625 1.00 33.35 O ATOM 0 H SER A 64 -12.995 6.549 -8.452 1.00 72.32 H new ATOM 0 HA SER A 64 -12.099 9.296 -8.538 1.00 15.55 H new ATOM 0 HB2 SER A 64 -10.106 7.038 -8.071 1.00 2.13 H new ATOM 0 HB3 SER A 64 -9.681 8.678 -8.519 1.00 2.13 H new ATOM 0 HG SER A 64 -11.343 8.779 -6.392 1.00 33.35 H new ATOM 1031 N ARG A 65 -11.294 8.881 -10.926 1.00 51.14 N ATOM 1032 CA ARG A 65 -11.094 8.660 -12.351 1.00 31.21 C ATOM 1033 C ARG A 65 -9.851 7.801 -12.543 1.00 62.12 C ATOM 1034 O ARG A 65 -9.735 7.041 -13.505 1.00 61.25 O ATOM 1035 CB ARG A 65 -10.925 9.997 -13.078 1.00 4.45 C ATOM 1036 CG ARG A 65 -10.987 9.886 -14.592 1.00 30.22 C ATOM 1037 CD ARG A 65 -10.688 11.220 -15.257 1.00 4.13 C ATOM 1038 NE ARG A 65 -9.260 11.536 -15.250 1.00 50.22 N ATOM 1039 CZ ARG A 65 -8.741 12.643 -14.721 1.00 20.31 C ATOM 1040 NH1 ARG A 65 -9.508 13.485 -14.038 1.00 1.41 N ATOM 1041 NH2 ARG A 65 -7.448 12.901 -14.866 1.00 53.42 N ATOM 0 H ARG A 65 -11.098 9.833 -10.616 1.00 51.14 H new ATOM 0 HA ARG A 65 -11.964 8.152 -12.768 1.00 31.21 H new ATOM 0 HB2 ARG A 65 -11.702 10.683 -12.742 1.00 4.45 H new ATOM 0 HB3 ARG A 65 -9.968 10.435 -12.794 1.00 4.45 H new ATOM 0 HG2 ARG A 65 -10.271 9.139 -14.933 1.00 30.22 H new ATOM 0 HG3 ARG A 65 -11.976 9.541 -14.893 1.00 30.22 H new ATOM 0 HD2 ARG A 65 -11.048 11.200 -16.286 1.00 4.13 H new ATOM 0 HD3 ARG A 65 -11.235 12.010 -14.743 1.00 4.13 H new ATOM 0 HE ARG A 65 -8.621 10.866 -15.677 1.00 50.22 H new ATOM 0 HH11 ARG A 65 -10.501 13.286 -13.916 1.00 1.41 H new ATOM 0 HH12 ARG A 65 -9.104 14.331 -13.636 1.00 1.41 H new ATOM 0 HH21 ARG A 65 -6.853 12.252 -15.382 1.00 53.42 H new ATOM 0 HH22 ARG A 65 -7.049 13.748 -14.462 1.00 53.42 H new ATOM 1055 N LYS A 66 -8.934 7.931 -11.595 1.00 3.04 N ATOM 1056 CA LYS A 66 -7.704 7.163 -11.589 1.00 1.14 C ATOM 1057 C LYS A 66 -7.914 5.856 -10.837 1.00 53.33 C ATOM 1058 O LYS A 66 -8.312 5.869 -9.671 1.00 14.22 O ATOM 1059 CB LYS A 66 -6.594 7.972 -10.915 1.00 42.41 C ATOM 1060 CG LYS A 66 -5.234 7.289 -10.930 1.00 3.10 C ATOM 1061 CD LYS A 66 -4.235 8.020 -10.046 1.00 61.55 C ATOM 1062 CE LYS A 66 -4.091 9.482 -10.443 1.00 73.22 C ATOM 1063 NZ LYS A 66 -3.518 9.646 -11.806 1.00 71.13 N ATOM 0 H LYS A 66 -9.025 8.574 -10.808 1.00 3.04 H new ATOM 0 HA LYS A 66 -7.416 6.942 -12.617 1.00 1.14 H new ATOM 0 HB2 LYS A 66 -6.509 8.938 -11.412 1.00 42.41 H new ATOM 0 HB3 LYS A 66 -6.879 8.169 -9.882 1.00 42.41 H new ATOM 0 HG2 LYS A 66 -5.339 6.259 -10.588 1.00 3.10 H new ATOM 0 HG3 LYS A 66 -4.857 7.249 -11.952 1.00 3.10 H new ATOM 0 HD2 LYS A 66 -4.555 7.956 -9.006 1.00 61.55 H new ATOM 0 HD3 LYS A 66 -3.264 7.529 -10.112 1.00 61.55 H new ATOM 0 HE2 LYS A 66 -5.067 9.965 -10.402 1.00 73.22 H new ATOM 0 HE3 LYS A 66 -3.453 9.991 -9.720 1.00 73.22 H new ATOM 0 HZ1 LYS A 66 -3.392 10.658 -12.010 1.00 71.13 H new ATOM 0 HZ2 LYS A 66 -2.597 9.166 -11.855 1.00 71.13 H new ATOM 0 HZ3 LYS A 66 -4.164 9.229 -12.507 1.00 71.13 H new ATOM 1077 N VAL A 67 -7.639 4.743 -11.501 1.00 15.33 N ATOM 1078 CA VAL A 67 -7.793 3.425 -10.892 1.00 43.45 C ATOM 1079 C VAL A 67 -6.967 3.316 -9.609 1.00 22.33 C ATOM 1080 O VAL A 67 -7.456 2.843 -8.587 1.00 55.12 O ATOM 1081 CB VAL A 67 -7.394 2.300 -11.884 1.00 13.01 C ATOM 1082 CG1 VAL A 67 -5.990 2.510 -12.410 1.00 25.22 C ATOM 1083 CG2 VAL A 67 -7.512 0.924 -11.247 1.00 4.51 C ATOM 0 H VAL A 67 -7.307 4.724 -12.465 1.00 15.33 H new ATOM 0 HA VAL A 67 -8.846 3.301 -10.638 1.00 43.45 H new ATOM 0 HB VAL A 67 -8.092 2.348 -12.720 1.00 13.01 H new ATOM 0 HG11 VAL A 67 -5.737 1.707 -13.103 1.00 25.22 H new ATOM 0 HG12 VAL A 67 -5.935 3.467 -12.928 1.00 25.22 H new ATOM 0 HG13 VAL A 67 -5.286 2.507 -11.578 1.00 25.22 H new ATOM 0 HG21 VAL A 67 -7.225 0.162 -11.971 1.00 4.51 H new ATOM 0 HG22 VAL A 67 -6.854 0.867 -10.380 1.00 4.51 H new ATOM 0 HG23 VAL A 67 -8.542 0.756 -10.933 1.00 4.51 H new ATOM 1093 N ALA A 68 -5.729 3.795 -9.666 1.00 1.11 N ATOM 1094 CA ALA A 68 -4.816 3.731 -8.532 1.00 32.31 C ATOM 1095 C ALA A 68 -5.323 4.563 -7.356 1.00 22.20 C ATOM 1096 O ALA A 68 -5.188 4.165 -6.199 1.00 54.22 O ATOM 1097 CB ALA A 68 -3.427 4.192 -8.951 1.00 74.21 C ATOM 0 H ALA A 68 -5.332 4.236 -10.496 1.00 1.11 H new ATOM 0 HA ALA A 68 -4.762 2.693 -8.202 1.00 32.31 H new ATOM 0 HB1 ALA A 68 -2.753 4.140 -8.096 1.00 74.21 H new ATOM 0 HB2 ALA A 68 -3.054 3.547 -9.747 1.00 74.21 H new ATOM 0 HB3 ALA A 68 -3.478 5.220 -9.311 1.00 74.21 H new ATOM 1103 N ASN A 69 -5.920 5.710 -7.657 1.00 74.14 N ATOM 1104 CA ASN A 69 -6.423 6.603 -6.615 1.00 43.53 C ATOM 1105 C ASN A 69 -7.688 6.016 -6.000 1.00 64.02 C ATOM 1106 O ASN A 69 -7.852 6.001 -4.782 1.00 74.43 O ATOM 1107 CB ASN A 69 -6.713 7.994 -7.193 1.00 24.23 C ATOM 1108 CG ASN A 69 -6.818 9.073 -6.127 1.00 31.14 C ATOM 1109 OD1 ASN A 69 -5.813 9.668 -5.734 1.00 31.00 O ATOM 1110 ND2 ASN A 69 -8.027 9.354 -5.672 1.00 70.54 N ATOM 0 H ASN A 69 -6.068 6.044 -8.609 1.00 74.14 H new ATOM 0 HA ASN A 69 -5.662 6.704 -5.841 1.00 43.53 H new ATOM 0 HB2 ASN A 69 -5.923 8.261 -7.895 1.00 24.23 H new ATOM 0 HB3 ASN A 69 -7.644 7.959 -7.759 1.00 24.23 H new ATOM 0 HD21 ASN A 69 -8.151 10.085 -4.972 1.00 70.54 H new ATOM 0 HD22 ASN A 69 -8.836 8.840 -6.021 1.00 70.54 H new ATOM 1117 N ALA A 70 -8.563 5.511 -6.863 1.00 44.11 N ATOM 1118 CA ALA A 70 -9.817 4.903 -6.437 1.00 2.22 C ATOM 1119 C ALA A 70 -9.565 3.692 -5.548 1.00 42.21 C ATOM 1120 O ALA A 70 -10.144 3.570 -4.465 1.00 44.13 O ATOM 1121 CB ALA A 70 -10.636 4.509 -7.653 1.00 41.32 C ATOM 0 H ALA A 70 -8.423 5.512 -7.873 1.00 44.11 H new ATOM 0 HA ALA A 70 -10.375 5.634 -5.852 1.00 2.22 H new ATOM 0 HB1 ALA A 70 -11.573 4.055 -7.329 1.00 41.32 H new ATOM 0 HB2 ALA A 70 -10.850 5.395 -8.250 1.00 41.32 H new ATOM 0 HB3 ALA A 70 -10.074 3.794 -8.254 1.00 41.32 H new ATOM 1127 N LYS A 71 -8.690 2.802 -6.011 1.00 41.34 N ATOM 1128 CA LYS A 71 -8.293 1.637 -5.229 1.00 3.21 C ATOM 1129 C LYS A 71 -7.756 2.067 -3.886 1.00 40.04 C ATOM 1130 O LYS A 71 -8.104 1.499 -2.854 1.00 4.42 O ATOM 1131 CB LYS A 71 -7.207 0.837 -5.945 1.00 4.53 C ATOM 1132 CG LYS A 71 -7.669 0.171 -7.210 1.00 5.32 C ATOM 1133 CD LYS A 71 -6.567 -0.675 -7.832 1.00 10.25 C ATOM 1134 CE LYS A 71 -5.363 0.165 -8.232 1.00 34.32 C ATOM 1135 NZ LYS A 71 -4.251 -0.670 -8.758 1.00 2.12 N ATOM 0 H LYS A 71 -8.243 2.867 -6.925 1.00 41.34 H new ATOM 0 HA LYS A 71 -9.178 1.014 -5.101 1.00 3.21 H new ATOM 0 HB2 LYS A 71 -6.376 1.502 -6.180 1.00 4.53 H new ATOM 0 HB3 LYS A 71 -6.824 0.076 -5.265 1.00 4.53 H new ATOM 0 HG2 LYS A 71 -8.534 -0.457 -6.996 1.00 5.32 H new ATOM 0 HG3 LYS A 71 -7.993 0.929 -7.923 1.00 5.32 H new ATOM 0 HD2 LYS A 71 -6.255 -1.442 -7.123 1.00 10.25 H new ATOM 0 HD3 LYS A 71 -6.957 -1.191 -8.709 1.00 10.25 H new ATOM 0 HE2 LYS A 71 -5.662 0.889 -8.990 1.00 34.32 H new ATOM 0 HE3 LYS A 71 -5.014 0.732 -7.369 1.00 34.32 H new ATOM 0 HZ1 LYS A 71 -3.451 -0.059 -9.019 1.00 2.12 H new ATOM 0 HZ2 LYS A 71 -3.947 -1.344 -8.027 1.00 2.12 H new ATOM 0 HZ3 LYS A 71 -4.576 -1.192 -9.597 1.00 2.12 H new ATOM 1149 N TYR A 72 -6.913 3.084 -3.918 1.00 70.11 N ATOM 1150 CA TYR A 72 -6.233 3.554 -2.733 1.00 65.41 C ATOM 1151 C TYR A 72 -7.226 3.917 -1.635 1.00 34.23 C ATOM 1152 O TYR A 72 -7.101 3.465 -0.495 1.00 34.11 O ATOM 1153 CB TYR A 72 -5.360 4.763 -3.088 1.00 21.43 C ATOM 1154 CG TYR A 72 -4.923 5.585 -1.899 1.00 21.44 C ATOM 1155 CD1 TYR A 72 -3.895 5.159 -1.067 1.00 72.23 C ATOM 1156 CD2 TYR A 72 -5.551 6.791 -1.608 1.00 11.30 C ATOM 1157 CE1 TYR A 72 -3.506 5.914 0.021 1.00 25.23 C ATOM 1158 CE2 TYR A 72 -5.167 7.548 -0.522 1.00 42.02 C ATOM 1159 CZ TYR A 72 -4.146 7.106 0.289 1.00 22.54 C ATOM 1160 OH TYR A 72 -3.768 7.856 1.377 1.00 53.11 O ATOM 0 H TYR A 72 -6.684 3.603 -4.765 1.00 70.11 H new ATOM 0 HA TYR A 72 -5.601 2.751 -2.354 1.00 65.41 H new ATOM 0 HB2 TYR A 72 -4.474 4.413 -3.618 1.00 21.43 H new ATOM 0 HB3 TYR A 72 -5.911 5.405 -3.776 1.00 21.43 H new ATOM 0 HD1 TYR A 72 -3.394 4.225 -1.274 1.00 72.23 H new ATOM 0 HD2 TYR A 72 -6.352 7.140 -2.243 1.00 11.30 H new ATOM 0 HE1 TYR A 72 -2.704 5.573 0.659 1.00 25.23 H new ATOM 0 HE2 TYR A 72 -5.664 8.483 -0.308 1.00 42.02 H new ATOM 0 HH TYR A 72 -4.317 8.666 1.423 1.00 53.11 H new ATOM 1170 N ILE A 73 -8.221 4.712 -2.001 1.00 2.03 N ATOM 1171 CA ILE A 73 -9.209 5.206 -1.056 1.00 73.22 C ATOM 1172 C ILE A 73 -9.933 4.067 -0.349 1.00 32.13 C ATOM 1173 O ILE A 73 -9.944 4.000 0.881 1.00 54.44 O ATOM 1174 CB ILE A 73 -10.237 6.094 -1.768 1.00 52.15 C ATOM 1175 CG1 ILE A 73 -9.532 7.280 -2.417 1.00 62.43 C ATOM 1176 CG2 ILE A 73 -11.297 6.568 -0.787 1.00 10.33 C ATOM 1177 CD1 ILE A 73 -10.335 7.915 -3.520 1.00 2.50 C ATOM 0 H ILE A 73 -8.365 5.031 -2.959 1.00 2.03 H new ATOM 0 HA ILE A 73 -8.673 5.791 -0.308 1.00 73.22 H new ATOM 0 HB ILE A 73 -10.732 5.513 -2.546 1.00 52.15 H new ATOM 0 HG12 ILE A 73 -9.318 8.029 -1.655 1.00 62.43 H new ATOM 0 HG13 ILE A 73 -8.574 6.950 -2.818 1.00 62.43 H new ATOM 0 HG21 ILE A 73 -12.019 7.197 -1.307 1.00 10.33 H new ATOM 0 HG22 ILE A 73 -11.809 5.706 -0.359 1.00 10.33 H new ATOM 0 HG23 ILE A 73 -10.824 7.142 0.010 1.00 10.33 H new ATOM 0 HD11 ILE A 73 -9.778 8.752 -3.940 1.00 2.50 H new ATOM 0 HD12 ILE A 73 -10.527 7.179 -4.301 1.00 2.50 H new ATOM 0 HD13 ILE A 73 -11.283 8.275 -3.119 1.00 2.50 H new ATOM 1189 N MET A 74 -10.525 3.166 -1.127 1.00 3.23 N ATOM 1190 CA MET A 74 -11.280 2.061 -0.553 1.00 74.01 C ATOM 1191 C MET A 74 -10.370 1.162 0.283 1.00 61.41 C ATOM 1192 O MET A 74 -10.760 0.692 1.351 1.00 41.25 O ATOM 1193 CB MET A 74 -11.979 1.235 -1.638 1.00 11.42 C ATOM 1194 CG MET A 74 -11.027 0.524 -2.572 1.00 32.41 C ATOM 1195 SD MET A 74 -11.804 -0.840 -3.445 1.00 52.33 S ATOM 1196 CE MET A 74 -10.440 -1.989 -3.443 1.00 5.03 C ATOM 0 H MET A 74 -10.497 3.179 -2.147 1.00 3.23 H new ATOM 0 HA MET A 74 -12.046 2.490 0.093 1.00 74.01 H new ATOM 0 HB2 MET A 74 -12.624 0.497 -1.161 1.00 11.42 H new ATOM 0 HB3 MET A 74 -12.624 1.891 -2.222 1.00 11.42 H new ATOM 0 HG2 MET A 74 -10.634 1.237 -3.297 1.00 32.41 H new ATOM 0 HG3 MET A 74 -10.177 0.148 -2.002 1.00 32.41 H new ATOM 0 HE1 MET A 74 -10.633 -2.784 -4.163 1.00 5.03 H new ATOM 0 HE2 MET A 74 -9.524 -1.466 -3.717 1.00 5.03 H new ATOM 0 HE3 MET A 74 -10.328 -2.420 -2.448 1.00 5.03 H new ATOM 1206 N LYS A 75 -9.150 0.941 -0.193 1.00 44.01 N ATOM 1207 CA LYS A 75 -8.206 0.102 0.519 1.00 72.32 C ATOM 1208 C LYS A 75 -7.863 0.693 1.885 1.00 12.33 C ATOM 1209 O LYS A 75 -7.829 -0.026 2.877 1.00 73.32 O ATOM 1210 CB LYS A 75 -6.955 -0.118 -0.330 1.00 23.25 C ATOM 1211 CG LYS A 75 -7.205 -1.042 -1.514 1.00 51.22 C ATOM 1212 CD LYS A 75 -6.051 -1.032 -2.495 1.00 53.22 C ATOM 1213 CE LYS A 75 -6.283 -2.005 -3.645 1.00 74.11 C ATOM 1214 NZ LYS A 75 -6.303 -3.425 -3.193 1.00 72.22 N ATOM 0 H LYS A 75 -8.796 1.332 -1.066 1.00 44.01 H new ATOM 0 HA LYS A 75 -8.669 -0.868 0.699 1.00 72.32 H new ATOM 0 HB2 LYS A 75 -6.594 0.844 -0.695 1.00 23.25 H new ATOM 0 HB3 LYS A 75 -6.166 -0.539 0.294 1.00 23.25 H new ATOM 0 HG2 LYS A 75 -7.366 -2.058 -1.153 1.00 51.22 H new ATOM 0 HG3 LYS A 75 -8.118 -0.737 -2.025 1.00 51.22 H new ATOM 0 HD2 LYS A 75 -5.918 -0.025 -2.891 1.00 53.22 H new ATOM 0 HD3 LYS A 75 -5.129 -1.295 -1.976 1.00 53.22 H new ATOM 0 HE2 LYS A 75 -7.229 -1.768 -4.132 1.00 74.11 H new ATOM 0 HE3 LYS A 75 -5.499 -1.875 -4.391 1.00 74.11 H new ATOM 0 HZ1 LYS A 75 -7.092 -3.924 -3.651 1.00 72.22 H new ATOM 0 HZ2 LYS A 75 -5.406 -3.884 -3.451 1.00 72.22 H new ATOM 0 HZ3 LYS A 75 -6.424 -3.459 -2.161 1.00 72.22 H new ATOM 1228 N GLN A 76 -7.652 2.006 1.940 1.00 12.34 N ATOM 1229 CA GLN A 76 -7.366 2.689 3.206 1.00 45.55 C ATOM 1230 C GLN A 76 -8.532 2.557 4.181 1.00 2.21 C ATOM 1231 O GLN A 76 -8.343 2.620 5.398 1.00 1.43 O ATOM 1232 CB GLN A 76 -7.070 4.170 2.966 1.00 64.14 C ATOM 1233 CG GLN A 76 -5.795 4.416 2.184 1.00 23.32 C ATOM 1234 CD GLN A 76 -4.561 3.884 2.888 1.00 44.15 C ATOM 1235 OE1 GLN A 76 -3.934 4.584 3.678 1.00 2.53 O ATOM 1236 NE2 GLN A 76 -4.203 2.643 2.604 1.00 4.21 N ATOM 0 H GLN A 76 -7.673 2.620 1.126 1.00 12.34 H new ATOM 0 HA GLN A 76 -6.489 2.212 3.643 1.00 45.55 H new ATOM 0 HB2 GLN A 76 -7.907 4.617 2.429 1.00 64.14 H new ATOM 0 HB3 GLN A 76 -7.000 4.678 3.928 1.00 64.14 H new ATOM 0 HG2 GLN A 76 -5.879 3.947 1.204 1.00 23.32 H new ATOM 0 HG3 GLN A 76 -5.678 5.487 2.016 1.00 23.32 H new ATOM 0 HE21 GLN A 76 -4.750 2.093 1.942 1.00 4.21 H new ATOM 0 HE22 GLN A 76 -3.380 2.236 3.047 1.00 4.21 H new ATOM 1245 N ARG A 77 -9.732 2.372 3.639 1.00 42.01 N ATOM 1246 CA ARG A 77 -10.929 2.213 4.455 1.00 23.12 C ATOM 1247 C ARG A 77 -10.823 0.971 5.330 1.00 2.01 C ATOM 1248 O ARG A 77 -10.727 1.081 6.553 1.00 11.13 O ATOM 1249 CB ARG A 77 -12.178 2.140 3.573 1.00 42.14 C ATOM 1250 CG ARG A 77 -12.453 3.423 2.808 1.00 50.45 C ATOM 1251 CD ARG A 77 -12.995 4.509 3.722 1.00 61.10 C ATOM 1252 NE ARG A 77 -14.378 4.239 4.118 1.00 23.25 N ATOM 1253 CZ ARG A 77 -14.817 4.234 5.376 1.00 32.14 C ATOM 1254 NH1 ARG A 77 -13.974 4.433 6.382 1.00 73.41 N ATOM 1255 NH2 ARG A 77 -16.100 4.006 5.631 1.00 44.21 N ATOM 0 H ARG A 77 -9.900 2.329 2.634 1.00 42.01 H new ATOM 0 HA ARG A 77 -11.016 3.084 5.104 1.00 23.12 H new ATOM 0 HB2 ARG A 77 -12.065 1.320 2.864 1.00 42.14 H new ATOM 0 HB3 ARG A 77 -13.041 1.906 4.197 1.00 42.14 H new ATOM 0 HG2 ARG A 77 -11.535 3.769 2.334 1.00 50.45 H new ATOM 0 HG3 ARG A 77 -13.169 3.226 2.010 1.00 50.45 H new ATOM 0 HD2 ARG A 77 -12.369 4.583 4.611 1.00 61.10 H new ATOM 0 HD3 ARG A 77 -12.943 5.472 3.214 1.00 61.10 H new ATOM 0 HE ARG A 77 -15.053 4.041 3.379 1.00 23.25 H new ATOM 0 HH11 ARG A 77 -12.984 4.591 6.194 1.00 73.41 H new ATOM 0 HH12 ARG A 77 -14.316 4.428 7.343 1.00 73.41 H new ATOM 0 HH21 ARG A 77 -16.750 3.835 4.864 1.00 44.21 H new ATOM 0 HH22 ARG A 77 -16.436 4.002 6.594 1.00 44.21 H new ATOM 1269 N LEU A 78 -10.810 -0.211 4.716 1.00 5.00 N ATOM 1270 CA LEU A 78 -10.708 -1.447 5.497 1.00 4.52 C ATOM 1271 C LEU A 78 -9.355 -1.538 6.194 1.00 54.23 C ATOM 1272 O LEU A 78 -9.246 -2.128 7.265 1.00 51.04 O ATOM 1273 CB LEU A 78 -10.903 -2.696 4.644 1.00 1.21 C ATOM 1274 CG LEU A 78 -11.721 -2.520 3.373 1.00 23.12 C ATOM 1275 CD1 LEU A 78 -10.813 -2.229 2.191 1.00 13.35 C ATOM 1276 CD2 LEU A 78 -12.544 -3.761 3.119 1.00 62.11 C ATOM 0 H LEU A 78 -10.867 -0.341 3.706 1.00 5.00 H new ATOM 0 HA LEU A 78 -11.509 -1.406 6.235 1.00 4.52 H new ATOM 0 HB2 LEU A 78 -9.921 -3.080 4.369 1.00 1.21 H new ATOM 0 HB3 LEU A 78 -11.383 -3.459 5.258 1.00 1.21 H new ATOM 0 HG LEU A 78 -12.393 -1.671 3.500 1.00 23.12 H new ATOM 0 HD11 LEU A 78 -11.415 -2.106 1.291 1.00 13.35 H new ATOM 0 HD12 LEU A 78 -10.252 -1.314 2.380 1.00 13.35 H new ATOM 0 HD13 LEU A 78 -10.119 -3.058 2.053 1.00 13.35 H new ATOM 0 HD21 LEU A 78 -13.128 -3.630 2.208 1.00 62.11 H new ATOM 0 HD22 LEU A 78 -11.882 -4.620 3.006 1.00 62.11 H new ATOM 0 HD23 LEU A 78 -13.217 -3.930 3.960 1.00 62.11 H new ATOM 1288 N LEU A 79 -8.331 -0.954 5.573 1.00 45.04 N ATOM 1289 CA LEU A 79 -6.983 -0.934 6.141 1.00 52.30 C ATOM 1290 C LEU A 79 -7.027 -0.373 7.555 1.00 3.02 C ATOM 1291 O LEU A 79 -6.461 -0.942 8.484 1.00 71.13 O ATOM 1292 CB LEU A 79 -6.053 -0.100 5.236 1.00 10.11 C ATOM 1293 CG LEU A 79 -4.566 -0.040 5.616 1.00 1.22 C ATOM 1294 CD1 LEU A 79 -4.319 1.023 6.674 1.00 12.32 C ATOM 1295 CD2 LEU A 79 -4.075 -1.400 6.090 1.00 72.21 C ATOM 0 H LEU A 79 -8.410 -0.485 4.670 1.00 45.04 H new ATOM 0 HA LEU A 79 -6.589 -1.949 6.193 1.00 52.30 H new ATOM 0 HB2 LEU A 79 -6.126 -0.495 4.223 1.00 10.11 H new ATOM 0 HB3 LEU A 79 -6.435 0.920 5.209 1.00 10.11 H new ATOM 0 HG LEU A 79 -4.000 0.234 4.725 1.00 1.22 H new ATOM 0 HD11 LEU A 79 -3.259 1.046 6.926 1.00 12.32 H new ATOM 0 HD12 LEU A 79 -4.622 1.997 6.289 1.00 12.32 H new ATOM 0 HD13 LEU A 79 -4.899 0.790 7.567 1.00 12.32 H new ATOM 0 HD21 LEU A 79 -3.019 -1.334 6.354 1.00 72.21 H new ATOM 0 HD22 LEU A 79 -4.649 -1.710 6.964 1.00 72.21 H new ATOM 0 HD23 LEU A 79 -4.205 -2.132 5.293 1.00 72.21 H new ATOM 1307 N LYS A 80 -7.739 0.724 7.715 1.00 13.42 N ATOM 1308 CA LYS A 80 -7.874 1.352 9.015 1.00 12.42 C ATOM 1309 C LYS A 80 -8.822 0.568 9.906 1.00 40.04 C ATOM 1310 O LYS A 80 -8.703 0.597 11.125 1.00 62.44 O ATOM 1311 CB LYS A 80 -8.353 2.792 8.867 1.00 10.41 C ATOM 1312 CG LYS A 80 -7.240 3.812 9.037 1.00 43.41 C ATOM 1313 CD LYS A 80 -6.645 3.756 10.436 1.00 52.34 C ATOM 1314 CE LYS A 80 -7.689 4.073 11.497 1.00 51.11 C ATOM 1315 NZ LYS A 80 -8.140 5.490 11.429 1.00 21.51 N ATOM 0 H LYS A 80 -8.234 1.200 6.961 1.00 13.42 H new ATOM 0 HA LYS A 80 -6.892 1.358 9.488 1.00 12.42 H new ATOM 0 HB2 LYS A 80 -8.806 2.918 7.884 1.00 10.41 H new ATOM 0 HB3 LYS A 80 -9.132 2.987 9.604 1.00 10.41 H new ATOM 0 HG2 LYS A 80 -6.459 3.626 8.300 1.00 43.41 H new ATOM 0 HG3 LYS A 80 -7.628 4.812 8.845 1.00 43.41 H new ATOM 0 HD2 LYS A 80 -6.230 2.765 10.617 1.00 52.34 H new ATOM 0 HD3 LYS A 80 -5.821 4.465 10.511 1.00 52.34 H new ATOM 0 HE2 LYS A 80 -8.547 3.413 11.370 1.00 51.11 H new ATOM 0 HE3 LYS A 80 -7.275 3.871 12.485 1.00 51.11 H new ATOM 0 HZ1 LYS A 80 -8.746 5.701 12.248 1.00 21.51 H new ATOM 0 HZ2 LYS A 80 -7.312 6.119 11.440 1.00 21.51 H new ATOM 0 HZ3 LYS A 80 -8.678 5.641 10.552 1.00 21.51 H new ATOM 1329 N LEU A 81 -9.747 -0.155 9.295 1.00 4.11 N ATOM 1330 CA LEU A 81 -10.730 -0.919 10.047 1.00 12.14 C ATOM 1331 C LEU A 81 -10.102 -2.150 10.687 1.00 63.12 C ATOM 1332 O LEU A 81 -10.490 -2.543 11.783 1.00 34.20 O ATOM 1333 CB LEU A 81 -11.908 -1.314 9.153 1.00 45.32 C ATOM 1334 CG LEU A 81 -12.697 -0.137 8.574 1.00 64.21 C ATOM 1335 CD1 LEU A 81 -13.828 -0.632 7.691 1.00 75.11 C ATOM 1336 CD2 LEU A 81 -13.240 0.749 9.685 1.00 43.14 C ATOM 0 H LEU A 81 -9.838 -0.229 8.282 1.00 4.11 H new ATOM 0 HA LEU A 81 -11.105 -0.282 10.848 1.00 12.14 H new ATOM 0 HB2 LEU A 81 -11.533 -1.922 8.330 1.00 45.32 H new ATOM 0 HB3 LEU A 81 -12.589 -1.941 9.729 1.00 45.32 H new ATOM 0 HG LEU A 81 -12.017 0.457 7.963 1.00 64.21 H new ATOM 0 HD11 LEU A 81 -14.376 0.220 7.290 1.00 75.11 H new ATOM 0 HD12 LEU A 81 -13.418 -1.219 6.869 1.00 75.11 H new ATOM 0 HD13 LEU A 81 -14.503 -1.253 8.279 1.00 75.11 H new ATOM 0 HD21 LEU A 81 -13.797 1.579 9.249 1.00 43.14 H new ATOM 0 HD22 LEU A 81 -13.901 0.165 10.326 1.00 43.14 H new ATOM 0 HD23 LEU A 81 -12.412 1.139 10.277 1.00 43.14 H new ATOM 1348 N LEU A 82 -9.128 -2.753 10.018 1.00 44.24 N ATOM 1349 CA LEU A 82 -8.435 -3.905 10.584 1.00 45.31 C ATOM 1350 C LEU A 82 -7.319 -3.463 11.529 1.00 73.01 C ATOM 1351 O LEU A 82 -6.893 -4.227 12.394 1.00 14.54 O ATOM 1352 CB LEU A 82 -7.897 -4.829 9.483 1.00 12.34 C ATOM 1353 CG LEU A 82 -7.100 -4.162 8.359 1.00 33.43 C ATOM 1354 CD1 LEU A 82 -5.601 -4.307 8.565 1.00 14.01 C ATOM 1355 CD2 LEU A 82 -7.499 -4.753 7.027 1.00 33.41 C ATOM 0 H LEU A 82 -8.802 -2.469 9.094 1.00 44.24 H new ATOM 0 HA LEU A 82 -9.159 -4.475 11.166 1.00 45.31 H new ATOM 0 HB2 LEU A 82 -7.263 -5.582 9.950 1.00 12.34 H new ATOM 0 HB3 LEU A 82 -8.741 -5.355 9.037 1.00 12.34 H new ATOM 0 HG LEU A 82 -7.333 -3.097 8.373 1.00 33.43 H new ATOM 0 HD11 LEU A 82 -5.072 -3.820 7.746 1.00 14.01 H new ATOM 0 HD12 LEU A 82 -5.317 -3.841 9.508 1.00 14.01 H new ATOM 0 HD13 LEU A 82 -5.338 -5.364 8.589 1.00 14.01 H new ATOM 0 HD21 LEU A 82 -6.929 -4.274 6.231 1.00 33.41 H new ATOM 0 HD22 LEU A 82 -7.293 -5.823 7.028 1.00 33.41 H new ATOM 0 HD23 LEU A 82 -8.563 -4.588 6.860 1.00 33.41 H new ATOM 1367 N GLU A 83 -6.863 -2.225 11.369 1.00 55.33 N ATOM 1368 CA GLU A 83 -5.853 -1.657 12.258 1.00 5.34 C ATOM 1369 C GLU A 83 -6.493 -1.097 13.526 1.00 71.32 C ATOM 1370 O GLU A 83 -5.927 -1.195 14.614 1.00 13.42 O ATOM 1371 CB GLU A 83 -5.062 -0.557 11.545 1.00 63.44 C ATOM 1372 CG GLU A 83 -4.080 -1.086 10.518 1.00 44.22 C ATOM 1373 CD GLU A 83 -3.001 -1.942 11.143 1.00 44.41 C ATOM 1374 OE1 GLU A 83 -2.038 -1.374 11.701 1.00 10.11 O ATOM 1375 OE2 GLU A 83 -3.106 -3.182 11.084 1.00 2.34 O ATOM 0 H GLU A 83 -7.177 -1.594 10.631 1.00 55.33 H new ATOM 0 HA GLU A 83 -5.169 -2.458 12.539 1.00 5.34 H new ATOM 0 HB2 GLU A 83 -5.760 0.121 11.053 1.00 63.44 H new ATOM 0 HB3 GLU A 83 -4.519 0.028 12.287 1.00 63.44 H new ATOM 0 HG2 GLU A 83 -4.618 -1.671 9.772 1.00 44.22 H new ATOM 0 HG3 GLU A 83 -3.619 -0.249 9.995 1.00 44.22 H new ATOM 1382 N ASP A 84 -7.669 -0.502 13.381 1.00 63.13 N ATOM 1383 CA ASP A 84 -8.385 0.073 14.516 1.00 21.53 C ATOM 1384 C ASP A 84 -9.322 -0.964 15.125 1.00 74.10 C ATOM 1385 O ASP A 84 -9.862 -0.773 16.214 1.00 52.32 O ATOM 1386 CB ASP A 84 -9.171 1.313 14.073 1.00 60.35 C ATOM 1387 CG ASP A 84 -9.835 2.036 15.225 1.00 52.04 C ATOM 1388 OD1 ASP A 84 -9.125 2.442 16.170 1.00 44.14 O ATOM 1389 OD2 ASP A 84 -11.069 2.206 15.194 1.00 24.21 O ATOM 0 H ASP A 84 -8.150 -0.404 12.487 1.00 63.13 H new ATOM 0 HA ASP A 84 -7.662 0.375 15.274 1.00 21.53 H new ATOM 0 HB2 ASP A 84 -8.497 2.000 13.561 1.00 60.35 H new ATOM 0 HB3 ASP A 84 -9.932 1.015 13.351 1.00 60.35 H new ATOM 1394 N LYS A 85 -9.493 -2.069 14.401 1.00 14.01 N ATOM 1395 CA LYS A 85 -10.317 -3.193 14.846 1.00 24.33 C ATOM 1396 C LYS A 85 -11.781 -2.788 14.975 1.00 61.43 C ATOM 1397 O LYS A 85 -12.506 -3.281 15.840 1.00 24.42 O ATOM 1398 CB LYS A 85 -9.781 -3.756 16.165 1.00 60.21 C ATOM 1399 CG LYS A 85 -8.370 -4.315 16.047 1.00 10.24 C ATOM 1400 CD LYS A 85 -8.318 -5.517 15.115 1.00 13.13 C ATOM 1401 CE LYS A 85 -9.135 -6.682 15.652 1.00 75.13 C ATOM 1402 NZ LYS A 85 -8.571 -7.232 16.914 1.00 24.11 N ATOM 0 H LYS A 85 -9.063 -2.211 13.487 1.00 14.01 H new ATOM 0 HA LYS A 85 -10.262 -3.977 14.091 1.00 24.33 H new ATOM 0 HB2 LYS A 85 -9.792 -2.970 16.920 1.00 60.21 H new ATOM 0 HB3 LYS A 85 -10.449 -4.543 16.515 1.00 60.21 H new ATOM 0 HG2 LYS A 85 -7.700 -3.538 15.677 1.00 10.24 H new ATOM 0 HG3 LYS A 85 -8.009 -4.604 17.034 1.00 10.24 H new ATOM 0 HD2 LYS A 85 -8.693 -5.232 14.132 1.00 13.13 H new ATOM 0 HD3 LYS A 85 -7.282 -5.830 14.982 1.00 13.13 H new ATOM 0 HE2 LYS A 85 -10.160 -6.354 15.827 1.00 75.13 H new ATOM 0 HE3 LYS A 85 -9.176 -7.471 14.901 1.00 75.13 H new ATOM 0 HZ1 LYS A 85 -9.054 -8.122 17.151 1.00 24.11 H new ATOM 0 HZ2 LYS A 85 -7.554 -7.412 16.790 1.00 24.11 H new ATOM 0 HZ3 LYS A 85 -8.710 -6.547 17.684 1.00 24.11 H new ATOM 1416 N SER A 86 -12.214 -1.917 14.075 1.00 11.42 N ATOM 1417 CA SER A 86 -13.591 -1.458 14.048 1.00 11.54 C ATOM 1418 C SER A 86 -14.515 -2.567 13.545 1.00 21.41 C ATOM 1419 O SER A 86 -14.214 -3.235 12.554 1.00 11.41 O ATOM 1420 CB SER A 86 -13.703 -0.234 13.146 1.00 43.30 C ATOM 1421 OG SER A 86 -12.715 0.730 13.466 1.00 70.53 O ATOM 0 H SER A 86 -11.624 -1.512 13.348 1.00 11.42 H new ATOM 0 HA SER A 86 -13.895 -1.190 15.060 1.00 11.54 H new ATOM 0 HB2 SER A 86 -13.596 -0.536 12.104 1.00 43.30 H new ATOM 0 HB3 SER A 86 -14.694 0.208 13.250 1.00 43.30 H new ATOM 0 HG SER A 86 -12.563 0.734 14.434 1.00 70.53 H new ATOM 1427 N ASN A 87 -15.649 -2.742 14.213 1.00 40.40 N ATOM 1428 CA ASN A 87 -16.583 -3.825 13.895 1.00 4.20 C ATOM 1429 C ASN A 87 -17.278 -3.612 12.552 1.00 52.12 C ATOM 1430 O ASN A 87 -18.053 -4.455 12.113 1.00 70.23 O ATOM 1431 CB ASN A 87 -17.641 -3.972 14.995 1.00 74.44 C ATOM 1432 CG ASN A 87 -18.618 -2.808 15.058 1.00 45.13 C ATOM 1433 OD1 ASN A 87 -19.687 -2.846 14.448 1.00 50.23 O ATOM 1434 ND2 ASN A 87 -18.267 -1.771 15.801 1.00 3.42 N ATOM 0 H ASN A 87 -15.949 -2.145 14.984 1.00 40.40 H new ATOM 0 HA ASN A 87 -15.991 -4.738 13.831 1.00 4.20 H new ATOM 0 HB2 ASN A 87 -18.198 -4.895 14.831 1.00 74.44 H new ATOM 0 HB3 ASN A 87 -17.141 -4.068 15.959 1.00 74.44 H new ATOM 0 HD21 ASN A 87 -18.890 -0.968 15.883 1.00 3.42 H new ATOM 0 HD22 ASN A 87 -17.373 -1.775 16.292 1.00 3.42 H new ATOM 1441 N LEU A 88 -16.985 -2.502 11.892 1.00 61.33 N ATOM 1442 CA LEU A 88 -17.626 -2.182 10.623 1.00 70.42 C ATOM 1443 C LEU A 88 -17.264 -3.202 9.550 1.00 22.52 C ATOM 1444 O LEU A 88 -18.107 -3.589 8.746 1.00 25.42 O ATOM 1445 CB LEU A 88 -17.260 -0.770 10.158 1.00 72.31 C ATOM 1446 CG LEU A 88 -17.838 0.370 11.003 1.00 35.32 C ATOM 1447 CD1 LEU A 88 -19.283 0.076 11.374 1.00 3.33 C ATOM 1448 CD2 LEU A 88 -17.001 0.611 12.250 1.00 23.40 C ATOM 0 H LEU A 88 -16.309 -1.808 12.212 1.00 61.33 H new ATOM 0 HA LEU A 88 -18.703 -2.221 10.784 1.00 70.42 H new ATOM 0 HB2 LEU A 88 -16.174 -0.679 10.149 1.00 72.31 H new ATOM 0 HB3 LEU A 88 -17.599 -0.645 9.129 1.00 72.31 H new ATOM 0 HG LEU A 88 -17.811 1.280 10.404 1.00 35.32 H new ATOM 0 HD11 LEU A 88 -19.679 0.895 11.974 1.00 3.33 H new ATOM 0 HD12 LEU A 88 -19.878 -0.029 10.466 1.00 3.33 H new ATOM 0 HD13 LEU A 88 -19.330 -0.850 11.948 1.00 3.33 H new ATOM 0 HD21 LEU A 88 -17.437 1.426 12.829 1.00 23.40 H new ATOM 0 HD22 LEU A 88 -16.982 -0.295 12.856 1.00 23.40 H new ATOM 0 HD23 LEU A 88 -15.984 0.875 11.960 1.00 23.40 H new ATOM 1460 N LEU A 89 -16.016 -3.648 9.546 1.00 73.24 N ATOM 1461 CA LEU A 89 -15.590 -4.663 8.592 1.00 43.41 C ATOM 1462 C LEU A 89 -15.468 -6.019 9.275 1.00 12.52 C ATOM 1463 O LEU A 89 -15.440 -7.059 8.625 1.00 71.53 O ATOM 1464 CB LEU A 89 -14.251 -4.280 7.948 1.00 4.05 C ATOM 1465 CG LEU A 89 -13.576 -5.406 7.171 1.00 25.01 C ATOM 1466 CD1 LEU A 89 -14.295 -5.680 5.863 1.00 11.34 C ATOM 1467 CD2 LEU A 89 -12.110 -5.091 6.952 1.00 3.13 C ATOM 0 H LEU A 89 -15.288 -3.328 10.184 1.00 73.24 H new ATOM 0 HA LEU A 89 -16.346 -4.727 7.809 1.00 43.41 H new ATOM 0 HB2 LEU A 89 -14.414 -3.438 7.275 1.00 4.05 H new ATOM 0 HB3 LEU A 89 -13.572 -3.937 8.729 1.00 4.05 H new ATOM 0 HG LEU A 89 -13.637 -6.319 7.764 1.00 25.01 H new ATOM 0 HD11 LEU A 89 -13.790 -6.487 5.332 1.00 11.34 H new ATOM 0 HD12 LEU A 89 -15.326 -5.969 6.068 1.00 11.34 H new ATOM 0 HD13 LEU A 89 -14.286 -4.780 5.248 1.00 11.34 H new ATOM 0 HD21 LEU A 89 -11.642 -5.904 6.396 1.00 3.13 H new ATOM 0 HD22 LEU A 89 -12.018 -4.164 6.386 1.00 3.13 H new ATOM 0 HD23 LEU A 89 -11.614 -4.978 7.916 1.00 3.13 H new ATOM 1479 N LEU A 90 -15.436 -5.996 10.590 1.00 44.11 N ATOM 1480 CA LEU A 90 -15.076 -7.176 11.368 1.00 31.01 C ATOM 1481 C LEU A 90 -16.229 -7.686 12.240 1.00 1.11 C ATOM 1482 O LEU A 90 -15.996 -8.406 13.210 1.00 22.33 O ATOM 1483 CB LEU A 90 -13.886 -6.816 12.254 1.00 53.13 C ATOM 1484 CG LEU A 90 -12.776 -6.033 11.549 1.00 72.00 C ATOM 1485 CD1 LEU A 90 -11.847 -5.400 12.563 1.00 12.24 C ATOM 1486 CD2 LEU A 90 -11.991 -6.925 10.603 1.00 44.24 C ATOM 0 H LEU A 90 -15.655 -5.172 11.151 1.00 44.11 H new ATOM 0 HA LEU A 90 -14.829 -7.979 10.674 1.00 31.01 H new ATOM 0 HB2 LEU A 90 -14.245 -6.229 13.100 1.00 53.13 H new ATOM 0 HB3 LEU A 90 -13.462 -7.734 12.660 1.00 53.13 H new ATOM 0 HG LEU A 90 -13.245 -5.244 10.961 1.00 72.00 H new ATOM 0 HD11 LEU A 90 -11.064 -4.847 12.044 1.00 12.24 H new ATOM 0 HD12 LEU A 90 -12.412 -4.718 13.198 1.00 12.24 H new ATOM 0 HD13 LEU A 90 -11.395 -6.178 13.178 1.00 12.24 H new ATOM 0 HD21 LEU A 90 -11.210 -6.341 10.117 1.00 44.24 H new ATOM 0 HD22 LEU A 90 -11.537 -7.741 11.165 1.00 44.24 H new ATOM 0 HD23 LEU A 90 -12.662 -7.334 9.847 1.00 44.24 H new ATOM 1498 N TYR A 91 -17.466 -7.328 11.901 1.00 30.33 N ATOM 1499 CA TYR A 91 -18.621 -7.761 12.692 1.00 45.44 C ATOM 1500 C TYR A 91 -18.849 -9.273 12.599 1.00 34.30 C ATOM 1501 O TYR A 91 -18.340 -9.945 11.692 1.00 3.22 O ATOM 1502 CB TYR A 91 -19.895 -7.021 12.264 1.00 53.25 C ATOM 1503 CG TYR A 91 -20.334 -7.284 10.837 1.00 53.14 C ATOM 1504 CD1 TYR A 91 -20.944 -8.485 10.478 1.00 25.12 C ATOM 1505 CD2 TYR A 91 -20.145 -6.325 9.850 1.00 23.21 C ATOM 1506 CE1 TYR A 91 -21.348 -8.718 9.179 1.00 31.22 C ATOM 1507 CE2 TYR A 91 -20.548 -6.551 8.548 1.00 31.55 C ATOM 1508 CZ TYR A 91 -21.150 -7.750 8.217 1.00 3.00 C ATOM 1509 OH TYR A 91 -21.551 -7.986 6.923 1.00 11.21 O ATOM 0 H TYR A 91 -17.695 -6.747 11.095 1.00 30.33 H new ATOM 0 HA TYR A 91 -18.396 -7.514 13.730 1.00 45.44 H new ATOM 0 HB2 TYR A 91 -20.705 -7.303 12.936 1.00 53.25 H new ATOM 0 HB3 TYR A 91 -19.735 -5.950 12.389 1.00 53.25 H new ATOM 0 HD1 TYR A 91 -21.103 -9.245 11.228 1.00 25.12 H new ATOM 0 HD2 TYR A 91 -19.675 -5.387 10.105 1.00 23.21 H new ATOM 0 HE1 TYR A 91 -21.817 -9.655 8.917 1.00 31.22 H new ATOM 0 HE2 TYR A 91 -20.393 -5.795 7.793 1.00 31.55 H new ATOM 0 HH TYR A 91 -21.342 -7.206 6.368 1.00 11.21 H new ATOM 1519 N SER A 92 -19.648 -9.787 13.527 1.00 5.24 N ATOM 1520 CA SER A 92 -19.978 -11.206 13.577 1.00 3.42 C ATOM 1521 C SER A 92 -21.094 -11.553 12.589 1.00 43.02 C ATOM 1522 O SER A 92 -22.046 -10.795 12.414 1.00 4.21 O ATOM 1523 CB SER A 92 -20.408 -11.596 14.995 1.00 3.20 C ATOM 1524 OG SER A 92 -19.385 -11.320 15.939 1.00 10.52 O ATOM 0 H SER A 92 -20.084 -9.233 14.264 1.00 5.24 H new ATOM 0 HA SER A 92 -19.086 -11.766 13.297 1.00 3.42 H new ATOM 0 HB2 SER A 92 -21.312 -11.051 15.266 1.00 3.20 H new ATOM 0 HB3 SER A 92 -20.655 -12.657 15.023 1.00 3.20 H new ATOM 0 HG SER A 92 -19.688 -11.577 16.835 1.00 10.52 H new ATOM 1530 N CYS A 93 -20.959 -12.701 11.943 1.00 70.52 N ATOM 1531 CA CYS A 93 -21.964 -13.194 11.010 1.00 74.41 C ATOM 1532 C CYS A 93 -21.960 -14.709 11.018 1.00 20.12 C ATOM 1533 O CYS A 93 -21.008 -15.318 11.504 1.00 65.43 O ATOM 1534 CB CYS A 93 -21.655 -12.734 9.596 1.00 22.25 C ATOM 1535 SG CYS A 93 -20.442 -13.807 8.758 1.00 61.13 S ATOM 0 H CYS A 93 -20.153 -13.317 12.049 1.00 70.52 H new ATOM 0 HA CYS A 93 -22.934 -12.805 11.319 1.00 74.41 H new ATOM 0 HB2 CYS A 93 -22.577 -12.712 9.015 1.00 22.25 H new ATOM 0 HB3 CYS A 93 -21.273 -11.714 9.625 1.00 22.25 H new ATOM 1540 N ASN A 94 -22.991 -15.314 10.453 1.00 40.13 N ATOM 1541 CA ASN A 94 -23.019 -16.755 10.298 1.00 43.33 C ATOM 1542 C ASN A 94 -23.008 -17.127 8.821 1.00 62.35 C ATOM 1543 O ASN A 94 -24.052 -17.319 8.207 1.00 72.12 O ATOM 1544 CB ASN A 94 -24.245 -17.362 10.985 1.00 35.13 C ATOM 1545 CG ASN A 94 -24.182 -18.879 11.068 1.00 44.11 C ATOM 1546 OD1 ASN A 94 -23.577 -19.542 10.226 1.00 33.34 O ATOM 1547 ND2 ASN A 94 -24.803 -19.439 12.091 1.00 34.15 N ATOM 0 H ASN A 94 -23.815 -14.831 10.096 1.00 40.13 H new ATOM 0 HA ASN A 94 -22.127 -17.162 10.775 1.00 43.33 H new ATOM 0 HB2 ASN A 94 -24.333 -16.951 11.991 1.00 35.13 H new ATOM 0 HB3 ASN A 94 -25.143 -17.069 10.441 1.00 35.13 H new ATOM 0 HD21 ASN A 94 -24.791 -20.453 12.202 1.00 34.15 H new ATOM 0 HD22 ASN A 94 -25.295 -18.857 12.770 1.00 34.15 H new ATOM 1554 N CYS A 95 -21.820 -17.164 8.239 1.00 62.11 N ATOM 1555 CA CYS A 95 -21.658 -17.734 6.900 1.00 32.20 C ATOM 1556 C CYS A 95 -21.443 -19.235 6.990 1.00 41.51 C ATOM 1557 O CYS A 95 -21.496 -19.945 5.987 1.00 12.54 O ATOM 1558 CB CYS A 95 -20.488 -17.095 6.157 1.00 24.24 C ATOM 1559 SG CYS A 95 -20.895 -15.532 5.332 1.00 5.43 S ATOM 0 H CYS A 95 -20.961 -16.813 8.661 1.00 62.11 H new ATOM 0 HA CYS A 95 -22.572 -17.528 6.342 1.00 32.20 H new ATOM 0 HB2 CYS A 95 -19.676 -16.919 6.863 1.00 24.24 H new ATOM 0 HB3 CYS A 95 -20.116 -17.800 5.413 1.00 24.24 H new ATOM 1564 N LYS A 96 -21.228 -19.704 8.210 1.00 11.14 N ATOM 1565 CA LYS A 96 -20.888 -21.092 8.468 1.00 61.25 C ATOM 1566 C LYS A 96 -20.921 -21.347 9.967 1.00 2.14 C ATOM 1567 O LYS A 96 -21.343 -22.407 10.425 1.00 40.42 O ATOM 1568 CB LYS A 96 -19.500 -21.404 7.899 1.00 64.53 C ATOM 1569 CG LYS A 96 -18.441 -20.377 8.275 1.00 42.45 C ATOM 1570 CD LYS A 96 -17.145 -20.604 7.520 1.00 14.25 C ATOM 1571 CE LYS A 96 -16.491 -21.922 7.895 1.00 2.44 C ATOM 1572 NZ LYS A 96 -15.253 -22.159 7.110 1.00 25.11 N ATOM 0 H LYS A 96 -21.285 -19.129 9.051 1.00 11.14 H new ATOM 0 HA LYS A 96 -21.613 -21.744 7.981 1.00 61.25 H new ATOM 0 HB2 LYS A 96 -19.184 -22.385 8.253 1.00 64.53 H new ATOM 0 HB3 LYS A 96 -19.567 -21.463 6.813 1.00 64.53 H new ATOM 0 HG2 LYS A 96 -18.815 -19.375 8.063 1.00 42.45 H new ATOM 0 HG3 LYS A 96 -18.251 -20.426 9.347 1.00 42.45 H new ATOM 0 HD2 LYS A 96 -17.343 -20.590 6.448 1.00 14.25 H new ATOM 0 HD3 LYS A 96 -16.456 -19.785 7.728 1.00 14.25 H new ATOM 0 HE2 LYS A 96 -16.254 -21.922 8.959 1.00 2.44 H new ATOM 0 HE3 LYS A 96 -17.193 -22.739 7.725 1.00 2.44 H new ATOM 0 HZ1 LYS A 96 -14.832 -23.068 7.391 1.00 25.11 H new ATOM 0 HZ2 LYS A 96 -15.484 -22.184 6.096 1.00 25.11 H new ATOM 0 HZ3 LYS A 96 -14.574 -21.392 7.292 1.00 25.11 H new ATOM 1586 N PHE A 97 -20.472 -20.351 10.715 1.00 53.15 N ATOM 1587 CA PHE A 97 -20.507 -20.375 12.167 1.00 72.34 C ATOM 1588 C PHE A 97 -20.266 -18.961 12.676 1.00 71.10 C ATOM 1589 O PHE A 97 -20.213 -18.018 11.882 1.00 52.11 O ATOM 1590 CB PHE A 97 -19.427 -21.323 12.722 1.00 63.40 C ATOM 1591 CG PHE A 97 -18.015 -20.829 12.519 1.00 24.42 C ATOM 1592 CD1 PHE A 97 -17.460 -19.911 13.395 1.00 71.12 C ATOM 1593 CD2 PHE A 97 -17.248 -21.275 11.458 1.00 73.44 C ATOM 1594 CE1 PHE A 97 -16.179 -19.445 13.222 1.00 54.12 C ATOM 1595 CE2 PHE A 97 -15.958 -20.814 11.276 1.00 22.34 C ATOM 1596 CZ PHE A 97 -15.422 -19.898 12.159 1.00 24.23 C ATOM 0 H PHE A 97 -20.070 -19.497 10.327 1.00 53.15 H new ATOM 0 HA PHE A 97 -21.479 -20.738 12.502 1.00 72.34 H new ATOM 0 HB2 PHE A 97 -19.600 -21.470 13.788 1.00 63.40 H new ATOM 0 HB3 PHE A 97 -19.533 -22.297 12.244 1.00 63.40 H new ATOM 0 HD1 PHE A 97 -18.045 -19.555 14.230 1.00 71.12 H new ATOM 0 HD2 PHE A 97 -17.662 -21.992 10.764 1.00 73.44 H new ATOM 0 HE1 PHE A 97 -15.765 -18.727 13.915 1.00 54.12 H new ATOM 0 HE2 PHE A 97 -15.369 -21.170 10.443 1.00 22.34 H new ATOM 0 HZ PHE A 97 -14.414 -19.537 12.019 1.00 24.23 H new ATOM 1606 N SER A 98 -20.121 -18.814 13.984 1.00 24.42 N ATOM 1607 CA SER A 98 -19.670 -17.562 14.562 1.00 21.31 C ATOM 1608 C SER A 98 -18.870 -17.817 15.828 1.00 42.25 C ATOM 1609 O SER A 98 -18.709 -18.961 16.255 1.00 23.15 O ATOM 1610 CB SER A 98 -20.840 -16.652 14.883 1.00 32.32 C ATOM 1611 OG SER A 98 -21.729 -16.548 13.785 1.00 72.24 O ATOM 0 H SER A 98 -20.310 -19.549 14.665 1.00 24.42 H new ATOM 0 HA SER A 98 -19.036 -17.070 13.824 1.00 21.31 H new ATOM 0 HB2 SER A 98 -21.375 -17.037 15.751 1.00 32.32 H new ATOM 0 HB3 SER A 98 -20.471 -15.662 15.149 1.00 32.32 H new ATOM 0 HG SER A 98 -21.229 -16.292 12.982 1.00 72.24 H new ATOM 1617 N LYS A 99 -18.382 -16.732 16.409 1.00 65.23 N ATOM 1618 CA LYS A 99 -17.592 -16.768 17.631 1.00 52.42 C ATOM 1619 C LYS A 99 -18.358 -17.458 18.754 1.00 61.02 C ATOM 1620 O LYS A 99 -18.006 -18.546 19.204 1.00 5.44 O ATOM 1621 CB LYS A 99 -17.300 -15.334 18.063 1.00 23.11 C ATOM 1622 CG LYS A 99 -16.951 -14.402 16.926 1.00 40.25 C ATOM 1623 CD LYS A 99 -15.570 -14.676 16.384 1.00 34.02 C ATOM 1624 CE LYS A 99 -15.235 -13.700 15.285 1.00 21.41 C ATOM 1625 NZ LYS A 99 -13.784 -13.684 14.983 1.00 54.31 N ATOM 0 H LYS A 99 -18.525 -15.791 16.042 1.00 65.23 H new ATOM 0 HA LYS A 99 -16.672 -17.320 17.437 1.00 52.42 H new ATOM 0 HB2 LYS A 99 -18.171 -14.940 18.586 1.00 23.11 H new ATOM 0 HB3 LYS A 99 -16.476 -15.342 18.777 1.00 23.11 H new ATOM 0 HG2 LYS A 99 -17.684 -14.512 16.127 1.00 40.25 H new ATOM 0 HG3 LYS A 99 -17.008 -13.370 17.271 1.00 40.25 H new ATOM 0 HD2 LYS A 99 -14.835 -14.598 17.185 1.00 34.02 H new ATOM 0 HD3 LYS A 99 -15.518 -15.696 16.002 1.00 34.02 H new ATOM 0 HE2 LYS A 99 -15.790 -13.963 14.385 1.00 21.41 H new ATOM 0 HE3 LYS A 99 -15.556 -12.700 15.577 1.00 21.41 H new ATOM 0 HZ1 LYS A 99 -13.578 -12.919 14.309 1.00 54.31 H new ATOM 0 HZ2 LYS A 99 -13.249 -13.526 15.860 1.00 54.31 H new ATOM 0 HZ3 LYS A 99 -13.506 -14.596 14.568 1.00 54.31 H new ATOM 1639 N LYS A 100 -19.416 -16.783 19.183 1.00 75.50 N ATOM 1640 CA LYS A 100 -20.265 -17.211 20.290 1.00 45.34 C ATOM 1641 C LYS A 100 -21.279 -16.106 20.537 1.00 1.53 C ATOM 1642 O LYS A 100 -22.390 -16.343 21.002 1.00 24.43 O ATOM 1643 CB LYS A 100 -19.452 -17.493 21.576 1.00 60.33 C ATOM 1644 CG LYS A 100 -19.049 -16.257 22.383 1.00 30.43 C ATOM 1645 CD LYS A 100 -18.050 -15.377 21.647 1.00 40.50 C ATOM 1646 CE LYS A 100 -16.678 -16.018 21.554 1.00 70.14 C ATOM 1647 NZ LYS A 100 -16.016 -16.110 22.882 1.00 51.41 N ATOM 0 H LYS A 100 -19.716 -15.903 18.763 1.00 75.50 H new ATOM 0 HA LYS A 100 -20.757 -18.148 20.027 1.00 45.34 H new ATOM 0 HB2 LYS A 100 -20.038 -18.150 22.219 1.00 60.33 H new ATOM 0 HB3 LYS A 100 -18.548 -18.037 21.302 1.00 60.33 H new ATOM 0 HG2 LYS A 100 -19.940 -15.673 22.615 1.00 30.43 H new ATOM 0 HG3 LYS A 100 -18.618 -16.573 23.333 1.00 30.43 H new ATOM 0 HD2 LYS A 100 -18.421 -15.171 20.643 1.00 40.50 H new ATOM 0 HD3 LYS A 100 -17.967 -14.418 22.159 1.00 40.50 H new ATOM 0 HE2 LYS A 100 -16.772 -17.016 21.126 1.00 70.14 H new ATOM 0 HE3 LYS A 100 -16.052 -15.438 20.876 1.00 70.14 H new ATOM 0 HZ1 LYS A 100 -15.007 -16.327 22.753 1.00 51.41 H new ATOM 0 HZ2 LYS A 100 -16.113 -15.203 23.382 1.00 51.41 H new ATOM 0 HZ3 LYS A 100 -16.464 -16.864 23.442 1.00 51.41 H new ATOM 1661 N LYS A 101 -20.860 -14.892 20.206 1.00 25.32 N ATOM 1662 CA LYS A 101 -21.707 -13.721 20.284 1.00 33.02 C ATOM 1663 C LYS A 101 -22.497 -13.564 18.990 1.00 63.25 C ATOM 1664 O LYS A 101 -21.962 -12.963 18.032 1.00 37.08 O ATOM 1665 CB LYS A 101 -20.849 -12.478 20.538 1.00 75.23 C ATOM 1666 CG LYS A 101 -20.946 -11.933 21.954 1.00 24.13 C ATOM 1667 CD LYS A 101 -20.344 -12.882 22.973 1.00 64.32 C ATOM 1668 CE LYS A 101 -20.419 -12.303 24.377 1.00 24.31 C ATOM 1669 NZ LYS A 101 -19.677 -11.016 24.491 1.00 31.25 N ATOM 1670 OXT LYS A 101 -23.640 -14.058 18.929 1.00 37.08 O ATOM 0 H LYS A 101 -19.916 -14.696 19.874 1.00 25.32 H new ATOM 0 HA LYS A 101 -22.409 -13.839 21.109 1.00 33.02 H new ATOM 0 HB2 LYS A 101 -19.808 -12.719 20.324 1.00 75.23 H new ATOM 0 HB3 LYS A 101 -21.146 -11.696 19.839 1.00 75.23 H new ATOM 0 HG2 LYS A 101 -20.435 -10.972 22.008 1.00 24.13 H new ATOM 0 HG3 LYS A 101 -21.992 -11.752 22.201 1.00 24.13 H new ATOM 0 HD2 LYS A 101 -20.871 -13.835 22.942 1.00 64.32 H new ATOM 0 HD3 LYS A 101 -19.304 -13.084 22.715 1.00 64.32 H new ATOM 0 HE2 LYS A 101 -21.463 -12.145 24.649 1.00 24.31 H new ATOM 0 HE3 LYS A 101 -20.010 -13.021 25.088 1.00 24.31 H new ATOM 0 HZ1 LYS A 101 -19.535 -10.785 25.495 1.00 31.25 H new ATOM 0 HZ2 LYS A 101 -18.753 -11.105 24.022 1.00 31.25 H new ATOM 0 HZ3 LYS A 101 -20.225 -10.258 24.036 1.00 31.25 H new TER 1684 LYS A 101 HETATM 1685 ZN ZN A 201 -20.329 -13.564 6.452 1.00 74.54 ZN