USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 ASN : amide:sc= -2.83! K(o=-1.8!,f=-0.26) USER MOD Set 1.2: A 104 THR OG1 : rot -11:sc= 1.03 USER MOD Set 2.1: A 55 ASN : amide:sc= -3.39! K(o=-3.2!,f=-1) USER MOD Set 2.2: A 57 TYR OH : rot -105:sc= 0.187 USER MOD Set 3.1: A 45 SER OG : rot -30:sc= -1.66! USER MOD Set 3.2: A 83 HIS : no HD1:sc= -5.96! C(o=-7.6!,f=-11!) USER MOD Set 4.1: A 28 SER OG : rot 75:sc= 0.453 USER MOD Set 4.2: A 89 TYR OH : rot -95:sc= -1.47! USER MOD Set 5.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 9 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-7.9!) USER MOD Single : A 3 HIS : no HE2:sc= -9.07! C(o=-9.1!,f=-9.4!) USER MOD Single : A 4 LYS NZ :NH3+ 176:sc=-0.000444 (180deg=-0.0412) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.106) USER MOD Single : A 10 ASN : amide:sc= -4.64! C(o=-4.6!,f=-2.1!) USER MOD Single : A 13 THR OG1 : rot 2:sc= 0.33 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -3.13 K(o=-3.1,f=-0.66) USER MOD Single : A 29 ASN : amide:sc= -3.83! C(o=-3.8!,f=-4.5!) USER MOD Single : A 31 THR OG1 : rot -174:sc= -1.48 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -174:sc= -1.28 USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 1.33 (180deg=1.18) USER MOD Single : A 47 ASN : amide:sc= -3.22! K(o=-3.2!,f=-0.84) USER MOD Single : A 49 SER OG : rot -13:sc= 0.866 USER MOD Single : A 50 MET CE :methyl -155:sc= -0.311 (180deg=-0.585) USER MOD Single : A 52 THR OG1 : rot 101:sc= 0.114 USER MOD Single : A 56 LYS NZ :NH3+ 148:sc=-0.00114 (180deg=-0.157) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -4.25 K(o=-4.3,f=-8.7!) USER MOD Single : A 74 HIS : no HD1:sc= -0.858 K(o=-0.86,f=-3.2) USER MOD Single : A 76 THR OG1 : rot 80:sc= 0.0565 USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.0394 (180deg=-0.283) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 83:sc= 1.47 USER MOD Single : A 90 MET CE :methyl -164:sc= -2.5 (180deg=-3.57!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -38:sc= 0.25 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 68:sc= 1.24 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -3.5! K(o=-3.5!,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -6.700 -9.725 5.979 1.00 0.59 N ATOM 2 CA HIS A 3 -5.546 -8.880 6.278 1.00 0.46 C ATOM 3 C HIS A 3 -5.625 -7.537 5.531 1.00 0.43 C ATOM 4 O HIS A 3 -5.940 -7.480 4.343 1.00 0.47 O ATOM 5 CB HIS A 3 -4.219 -9.583 5.927 1.00 0.45 C ATOM 6 CG HIS A 3 -3.071 -8.628 5.877 1.00 0.42 C ATOM 7 ND1 HIS A 3 -2.745 -7.803 6.930 1.00 0.47 N ATOM 8 CD2 HIS A 3 -2.241 -8.291 4.863 1.00 0.45 C ATOM 9 CE1 HIS A 3 -1.777 -6.994 6.567 1.00 0.52 C ATOM 10 NE2 HIS A 3 -1.451 -7.265 5.314 1.00 0.51 N ATOM 0 HA HIS A 3 -5.569 -8.691 7.351 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -4.013 -10.357 6.666 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -4.318 -10.081 4.962 1.00 0.45 H new ATOM 0 HD1 HIS A 3 -3.187 -7.818 7.849 1.00 0.47 H new ATOM 0 HD2 HIS A 3 -2.207 -8.744 3.883 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -1.323 -6.235 7.187 1.00 0.52 H new ATOM 19 N LYS A 4 -5.303 -6.461 6.235 1.00 0.40 N ATOM 20 CA LYS A 4 -5.206 -5.148 5.617 1.00 0.39 C ATOM 21 C LYS A 4 -4.173 -4.286 6.337 1.00 0.35 C ATOM 22 O LYS A 4 -4.045 -4.346 7.560 1.00 0.43 O ATOM 23 CB LYS A 4 -6.575 -4.460 5.593 1.00 0.54 C ATOM 24 CG LYS A 4 -7.309 -4.483 6.925 1.00 0.90 C ATOM 25 CD LYS A 4 -8.666 -3.803 6.818 1.00 1.13 C ATOM 26 CE LYS A 4 -9.497 -3.995 8.077 1.00 1.92 C ATOM 27 NZ LYS A 4 -8.825 -3.448 9.285 1.00 2.36 N ATOM 0 H LYS A 4 -5.104 -6.472 7.235 1.00 0.40 H new ATOM 0 HA LYS A 4 -4.875 -5.278 4.587 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -6.443 -3.424 5.282 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -7.198 -4.942 4.839 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -7.441 -5.514 7.253 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -6.707 -3.982 7.683 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -8.525 -2.738 6.635 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -9.207 -4.205 5.961 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -10.464 -3.508 7.950 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -9.692 -5.057 8.222 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -9.457 -3.541 10.106 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -7.947 -3.976 9.463 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -8.600 -2.444 9.133 1.00 2.36 H new ATOM 41 N VAL A 5 -3.413 -3.511 5.572 1.00 0.31 N ATOM 42 CA VAL A 5 -2.446 -2.586 6.147 1.00 0.33 C ATOM 43 C VAL A 5 -2.975 -1.162 6.098 1.00 0.27 C ATOM 44 O VAL A 5 -3.640 -0.771 5.154 1.00 0.29 O ATOM 45 CB VAL A 5 -1.043 -2.660 5.460 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.349 -1.308 5.447 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.177 -3.658 6.184 1.00 0.49 C ATOM 0 H VAL A 5 -3.448 -3.505 4.553 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.308 -2.891 7.184 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.195 -2.971 4.427 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.622 -1.402 4.961 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -0.960 -0.590 4.900 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.210 -0.960 6.471 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.800 -3.708 5.704 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -0.056 -3.349 7.222 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.648 -4.640 6.151 1.00 0.49 H new ATOM 57 N THR A 6 -2.723 -0.425 7.164 1.00 0.41 N ATOM 58 CA THR A 6 -3.000 0.996 7.218 1.00 0.33 C ATOM 59 C THR A 6 -1.713 1.761 7.517 1.00 0.37 C ATOM 60 O THR A 6 -0.701 1.143 7.843 1.00 0.51 O ATOM 61 CB THR A 6 -4.079 1.313 8.260 1.00 0.36 C ATOM 62 OG1 THR A 6 -3.843 0.559 9.457 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.449 0.982 7.702 1.00 0.36 C ATOM 0 H THR A 6 -2.318 -0.799 8.022 1.00 0.41 H new ATOM 0 HA THR A 6 -3.383 1.312 6.248 1.00 0.33 H new ATOM 0 HB THR A 6 -4.039 2.376 8.498 1.00 0.36 H new ATOM 0 HG1 THR A 6 -4.536 0.769 10.118 1.00 0.51 H new ATOM 0 HG21 THR A 6 -6.210 1.210 8.448 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.630 1.575 6.806 1.00 0.36 H new ATOM 0 HG23 THR A 6 -5.493 -0.078 7.450 1.00 0.36 H new ATOM 71 N LYS A 7 -1.763 3.088 7.375 1.00 0.30 N ATOM 72 CA LYS A 7 -0.584 3.968 7.443 1.00 0.28 C ATOM 73 C LYS A 7 0.455 3.555 8.499 1.00 0.27 C ATOM 74 O LYS A 7 1.641 3.511 8.189 1.00 0.32 O ATOM 75 CB LYS A 7 -1.035 5.410 7.689 1.00 0.27 C ATOM 76 CG LYS A 7 0.101 6.424 7.709 1.00 0.28 C ATOM 77 CD LYS A 7 1.043 6.241 6.528 1.00 0.42 C ATOM 78 CE LYS A 7 2.067 7.367 6.446 1.00 0.35 C ATOM 79 NZ LYS A 7 2.828 7.542 7.717 1.00 0.83 N ATOM 0 H LYS A 7 -2.634 3.592 7.207 1.00 0.30 H new ATOM 0 HA LYS A 7 -0.080 3.877 6.481 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -1.747 5.694 6.914 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -1.565 5.456 8.640 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -0.312 7.433 7.692 1.00 0.28 H new ATOM 0 HG3 LYS A 7 0.661 6.325 8.639 1.00 0.28 H new ATOM 0 HD2 LYS A 7 1.559 5.285 6.619 1.00 0.42 H new ATOM 0 HD3 LYS A 7 0.466 6.205 5.604 1.00 0.42 H new ATOM 0 HE2 LYS A 7 2.765 7.161 5.634 1.00 0.35 H new ATOM 0 HE3 LYS A 7 1.558 8.299 6.200 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 3.600 8.223 7.569 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 2.190 7.897 8.458 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 3.226 6.628 8.012 1.00 0.83 H new ATOM 93 N ALA A 8 0.023 3.252 9.724 1.00 0.25 N ATOM 94 CA ALA A 8 0.954 2.917 10.817 1.00 0.26 C ATOM 95 C ALA A 8 1.886 1.758 10.439 1.00 0.23 C ATOM 96 O ALA A 8 3.053 1.703 10.856 1.00 0.24 O ATOM 97 CB ALA A 8 0.185 2.582 12.085 1.00 0.33 C ATOM 0 H ALA A 8 -0.962 3.230 9.990 1.00 0.25 H new ATOM 0 HA ALA A 8 1.575 3.794 10.997 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.887 2.337 12.882 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -0.417 3.440 12.383 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -0.467 1.728 11.900 1.00 0.33 H new ATOM 103 N HIS A 9 1.377 0.853 9.610 1.00 0.23 N ATOM 104 CA HIS A 9 2.158 -0.282 9.123 1.00 0.23 C ATOM 105 C HIS A 9 3.356 0.172 8.297 1.00 0.23 C ATOM 106 O HIS A 9 4.139 -0.658 7.833 1.00 0.25 O ATOM 107 CB HIS A 9 1.312 -1.211 8.275 1.00 0.28 C ATOM 108 CG HIS A 9 0.365 -2.095 9.029 1.00 0.89 C ATOM 109 ND1 HIS A 9 -0.963 -1.795 9.173 1.00 0.97 N ATOM 110 CD2 HIS A 9 0.529 -3.336 9.547 1.00 1.63 C ATOM 111 CE1 HIS A 9 -1.587 -2.817 9.725 1.00 1.69 C ATOM 112 NE2 HIS A 9 -0.704 -3.766 9.969 1.00 2.12 N ATOM 0 H HIS A 9 0.420 0.883 9.258 1.00 0.23 H new ATOM 0 HA HIS A 9 2.511 -0.813 10.007 1.00 0.23 H new ATOM 0 HB2 HIS A 9 0.737 -0.609 7.572 1.00 0.28 H new ATOM 0 HB3 HIS A 9 1.977 -1.841 7.685 1.00 0.28 H new ATOM 0 HD2 HIS A 9 1.457 -3.885 9.615 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -2.644 -2.868 9.941 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -0.904 -4.669 10.399 1.00 2.12 H new ATOM 121 N ASN A 10 3.470 1.490 8.095 1.00 0.22 N ATOM 122 CA ASN A 10 4.651 2.108 7.487 1.00 0.24 C ATOM 123 C ASN A 10 5.932 1.552 8.132 1.00 0.24 C ATOM 124 O ASN A 10 7.019 1.625 7.558 1.00 0.26 O ATOM 125 CB ASN A 10 4.575 3.639 7.665 1.00 0.31 C ATOM 126 CG ASN A 10 5.829 4.390 7.241 1.00 0.56 C ATOM 127 OD1 ASN A 10 6.231 5.348 7.895 1.00 1.41 O ATOM 128 ND2 ASN A 10 6.433 3.995 6.132 1.00 0.96 N ATOM 0 H ASN A 10 2.743 2.159 8.350 1.00 0.22 H new ATOM 0 HA ASN A 10 4.676 1.874 6.423 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.730 4.017 7.090 1.00 0.31 H new ATOM 0 HB3 ASN A 10 4.372 3.860 8.713 1.00 0.31 H new ATOM 0 HD21 ASN A 10 7.259 4.491 5.797 1.00 0.96 H new ATOM 0 HD22 ASN A 10 6.073 3.195 5.612 1.00 0.96 H new ATOM 135 N GLY A 11 5.778 0.975 9.326 1.00 0.25 N ATOM 136 CA GLY A 11 6.896 0.335 9.996 1.00 0.26 C ATOM 137 C GLY A 11 6.490 -0.968 10.668 1.00 0.25 C ATOM 138 O GLY A 11 6.762 -1.174 11.853 1.00 0.30 O ATOM 0 H GLY A 11 4.897 0.941 9.839 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.687 0.138 9.273 1.00 0.26 H new ATOM 0 HA3 GLY A 11 7.308 1.014 10.742 1.00 0.26 H new ATOM 142 N ALA A 12 5.844 -1.853 9.915 1.00 0.24 N ATOM 143 CA ALA A 12 5.292 -3.082 10.487 1.00 0.27 C ATOM 144 C ALA A 12 6.091 -4.333 10.129 1.00 0.28 C ATOM 145 O ALA A 12 6.886 -4.335 9.188 1.00 0.31 O ATOM 146 CB ALA A 12 3.867 -3.265 10.019 1.00 0.32 C ATOM 0 H ALA A 12 5.689 -1.746 8.913 1.00 0.24 H new ATOM 0 HA ALA A 12 5.341 -2.965 11.570 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.458 -4.181 10.446 1.00 0.32 H new ATOM 0 HB2 ALA A 12 3.266 -2.415 10.341 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.847 -3.332 8.931 1.00 0.32 H new ATOM 152 N THR A 13 5.863 -5.394 10.899 1.00 0.39 N ATOM 153 CA THR A 13 6.365 -6.731 10.591 1.00 0.44 C ATOM 154 C THR A 13 5.442 -7.776 11.235 1.00 0.56 C ATOM 155 O THR A 13 5.497 -7.999 12.448 1.00 0.95 O ATOM 156 CB THR A 13 7.809 -6.932 11.102 1.00 0.71 C ATOM 157 OG1 THR A 13 8.676 -5.952 10.516 1.00 0.89 O ATOM 158 CG2 THR A 13 8.322 -8.327 10.765 1.00 0.74 C ATOM 0 H THR A 13 5.320 -5.350 11.761 1.00 0.39 H new ATOM 0 HA THR A 13 6.376 -6.849 9.507 1.00 0.44 H new ATOM 0 HB THR A 13 7.802 -6.817 12.186 1.00 0.71 H new ATOM 0 HG1 THR A 13 8.153 -5.355 9.941 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.340 -8.440 11.137 1.00 0.74 H new ATOM 0 HG22 THR A 13 7.680 -9.074 11.233 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.313 -8.467 9.684 1.00 0.74 H new ATOM 166 N LEU A 14 4.598 -8.414 10.427 1.00 0.39 N ATOM 167 CA LEU A 14 3.546 -9.281 10.950 1.00 0.70 C ATOM 168 C LEU A 14 3.133 -10.313 9.887 1.00 0.35 C ATOM 169 O LEU A 14 3.469 -10.167 8.717 1.00 0.88 O ATOM 170 CB LEU A 14 2.375 -8.382 11.382 1.00 1.51 C ATOM 171 CG LEU A 14 1.220 -9.064 12.105 1.00 2.04 C ATOM 172 CD1 LEU A 14 0.730 -8.194 13.252 1.00 2.43 C ATOM 173 CD2 LEU A 14 0.095 -9.328 11.128 1.00 3.00 C ATOM 0 H LEU A 14 4.622 -8.347 9.410 1.00 0.39 H new ATOM 0 HA LEU A 14 3.893 -9.850 11.812 1.00 0.70 H new ATOM 0 HB2 LEU A 14 2.768 -7.599 12.031 1.00 1.51 H new ATOM 0 HB3 LEU A 14 1.978 -7.890 10.494 1.00 1.51 H new ATOM 0 HG LEU A 14 1.565 -10.013 12.516 1.00 2.04 H new ATOM 0 HD11 LEU A 14 -0.095 -8.693 13.760 1.00 2.43 H new ATOM 0 HD12 LEU A 14 1.544 -8.030 13.958 1.00 2.43 H new ATOM 0 HD13 LEU A 14 0.389 -7.235 12.861 1.00 2.43 H new ATOM 0 HD21 LEU A 14 -0.730 -9.816 11.647 1.00 3.00 H new ATOM 0 HD22 LEU A 14 -0.249 -8.384 10.706 1.00 3.00 H new ATOM 0 HD23 LEU A 14 0.453 -9.975 10.327 1.00 3.00 H new ATOM 185 N THR A 15 2.431 -11.365 10.295 1.00 0.70 N ATOM 186 CA THR A 15 2.028 -12.427 9.376 1.00 0.74 C ATOM 187 C THR A 15 0.554 -12.308 8.999 1.00 0.82 C ATOM 188 O THR A 15 -0.289 -11.994 9.834 1.00 1.21 O ATOM 189 CB THR A 15 2.275 -13.813 9.990 1.00 1.40 C ATOM 190 OG1 THR A 15 3.675 -13.993 10.221 1.00 1.55 O ATOM 191 CG2 THR A 15 1.748 -14.911 9.075 1.00 1.73 C ATOM 0 H THR A 15 2.128 -11.506 11.259 1.00 0.70 H new ATOM 0 HA THR A 15 2.636 -12.315 8.478 1.00 0.74 H new ATOM 0 HB THR A 15 1.741 -13.876 10.938 1.00 1.40 H new ATOM 0 HG1 THR A 15 3.831 -14.877 10.614 1.00 1.55 H new ATOM 0 HG21 THR A 15 1.934 -15.884 9.530 1.00 1.73 H new ATOM 0 HG22 THR A 15 0.676 -14.778 8.927 1.00 1.73 H new ATOM 0 HG23 THR A 15 2.256 -14.858 8.112 1.00 1.73 H new ATOM 199 N VAL A 16 0.253 -12.578 7.735 1.00 0.57 N ATOM 200 CA VAL A 16 -1.093 -12.392 7.222 1.00 0.64 C ATOM 201 C VAL A 16 -1.702 -13.713 6.769 1.00 0.59 C ATOM 202 O VAL A 16 -0.986 -14.684 6.523 1.00 0.59 O ATOM 203 CB VAL A 16 -1.087 -11.394 6.044 1.00 0.64 C ATOM 204 CG1 VAL A 16 -0.185 -10.217 6.374 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.641 -12.046 4.751 1.00 0.63 C ATOM 0 H VAL A 16 0.923 -12.926 7.049 1.00 0.57 H new ATOM 0 HA VAL A 16 -1.702 -11.992 8.033 1.00 0.64 H new ATOM 0 HB VAL A 16 -2.109 -11.045 5.897 1.00 0.64 H new ATOM 0 HG11 VAL A 16 -0.183 -9.515 5.540 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.553 -9.716 7.269 1.00 0.78 H new ATOM 0 HG13 VAL A 16 0.830 -10.574 6.549 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.652 -11.308 3.949 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.369 -12.438 4.871 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -1.319 -12.862 4.502 1.00 0.63 H new ATOM 215 N ALA A 17 -3.023 -13.749 6.697 1.00 0.63 N ATOM 216 CA ALA A 17 -3.734 -14.874 6.122 1.00 0.60 C ATOM 217 C ALA A 17 -4.293 -14.483 4.763 1.00 0.55 C ATOM 218 O ALA A 17 -5.053 -13.523 4.660 1.00 0.76 O ATOM 219 CB ALA A 17 -4.855 -15.299 7.052 1.00 0.75 C ATOM 0 H ALA A 17 -3.629 -13.001 7.035 1.00 0.63 H new ATOM 0 HA ALA A 17 -3.049 -15.712 5.993 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -5.388 -16.145 6.617 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -4.437 -15.590 8.016 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -5.546 -14.468 7.192 1.00 0.75 H new ATOM 225 N VAL A 18 -3.903 -15.200 3.722 1.00 0.54 N ATOM 226 CA VAL A 18 -4.357 -14.876 2.374 1.00 0.50 C ATOM 227 C VAL A 18 -5.356 -15.908 1.864 1.00 0.49 C ATOM 228 O VAL A 18 -5.777 -16.804 2.601 1.00 0.59 O ATOM 229 CB VAL A 18 -3.184 -14.778 1.377 1.00 0.58 C ATOM 230 CG1 VAL A 18 -2.146 -13.783 1.858 1.00 1.23 C ATOM 231 CG2 VAL A 18 -2.554 -16.137 1.131 1.00 1.12 C ATOM 0 H VAL A 18 -3.278 -16.004 3.780 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.842 -13.902 2.440 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.585 -14.420 0.429 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -1.329 -13.732 1.138 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -2.604 -12.799 1.957 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -1.757 -14.102 2.825 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -1.731 -16.034 0.424 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -2.177 -16.539 2.071 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -3.302 -16.816 0.721 1.00 1.12 H new ATOM 241 N GLY A 19 -5.726 -15.772 0.596 1.00 0.52 N ATOM 242 CA GLY A 19 -6.674 -16.682 -0.015 1.00 0.55 C ATOM 243 C GLY A 19 -7.774 -15.932 -0.720 1.00 0.59 C ATOM 244 O GLY A 19 -7.998 -16.113 -1.918 1.00 0.71 O ATOM 0 H GLY A 19 -5.382 -15.039 -0.025 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -6.157 -17.327 -0.726 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -7.104 -17.330 0.749 1.00 0.55 H new ATOM 248 N GLU A 20 -8.456 -15.081 0.026 1.00 0.57 N ATOM 249 CA GLU A 20 -9.482 -14.223 -0.539 1.00 0.64 C ATOM 250 C GLU A 20 -8.835 -13.008 -1.182 1.00 0.50 C ATOM 251 O GLU A 20 -8.843 -12.849 -2.405 1.00 0.50 O ATOM 252 CB GLU A 20 -10.450 -13.762 0.551 1.00 0.76 C ATOM 253 CG GLU A 20 -10.965 -14.885 1.430 1.00 0.96 C ATOM 254 CD GLU A 20 -11.815 -14.371 2.572 1.00 1.55 C ATOM 255 OE1 GLU A 20 -12.979 -13.992 2.324 1.00 1.75 O ATOM 256 OE2 GLU A 20 -11.316 -14.332 3.719 1.00 2.35 O ATOM 0 H GLU A 20 -8.317 -14.966 1.030 1.00 0.57 H new ATOM 0 HA GLU A 20 -10.035 -14.788 -1.290 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -9.951 -13.023 1.178 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -11.298 -13.262 0.083 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -11.551 -15.578 0.826 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -10.121 -15.447 1.831 1.00 0.96 H new ATOM 263 N LEU A 21 -8.265 -12.167 -0.334 1.00 0.45 N ATOM 264 CA LEU A 21 -7.624 -10.933 -0.754 1.00 0.32 C ATOM 265 C LEU A 21 -6.788 -10.392 0.389 1.00 0.38 C ATOM 266 O LEU A 21 -7.201 -10.482 1.531 1.00 0.64 O ATOM 267 CB LEU A 21 -8.690 -9.898 -1.136 1.00 0.39 C ATOM 268 CG LEU A 21 -8.184 -8.461 -1.304 1.00 0.44 C ATOM 269 CD1 LEU A 21 -7.193 -8.365 -2.449 1.00 0.56 C ATOM 270 CD2 LEU A 21 -9.349 -7.511 -1.522 1.00 0.71 C ATOM 0 H LEU A 21 -8.234 -12.324 0.673 1.00 0.45 H new ATOM 0 HA LEU A 21 -6.988 -11.131 -1.617 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -9.158 -10.211 -2.069 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -9.467 -9.904 -0.372 1.00 0.39 H new ATOM 0 HG LEU A 21 -7.668 -8.172 -0.388 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -6.849 -7.335 -2.547 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -6.341 -9.014 -2.248 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -7.676 -8.676 -3.375 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -8.973 -6.495 -1.639 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -9.893 -7.803 -2.420 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -10.018 -7.553 -0.663 1.00 0.71 H new ATOM 282 N VAL A 22 -5.624 -9.846 0.086 1.00 0.27 N ATOM 283 CA VAL A 22 -4.826 -9.172 1.097 1.00 0.28 C ATOM 284 C VAL A 22 -4.658 -7.692 0.732 1.00 0.30 C ATOM 285 O VAL A 22 -4.245 -7.358 -0.382 1.00 0.37 O ATOM 286 CB VAL A 22 -3.448 -9.871 1.316 1.00 0.28 C ATOM 287 CG1 VAL A 22 -2.316 -8.861 1.455 1.00 0.40 C ATOM 288 CG2 VAL A 22 -3.505 -10.754 2.547 1.00 0.38 C ATOM 0 H VAL A 22 -5.211 -9.855 -0.847 1.00 0.27 H new ATOM 0 HA VAL A 22 -5.357 -9.236 2.047 1.00 0.28 H new ATOM 0 HB VAL A 22 -3.243 -10.481 0.436 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -1.374 -9.389 1.606 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -2.253 -8.258 0.549 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -2.510 -8.213 2.310 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -2.539 -11.238 2.693 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -3.741 -10.146 3.420 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -4.275 -11.514 2.414 1.00 0.38 H new ATOM 298 N GLU A 23 -4.999 -6.801 1.660 1.00 0.29 N ATOM 299 CA GLU A 23 -4.912 -5.371 1.392 1.00 0.36 C ATOM 300 C GLU A 23 -3.703 -4.724 2.045 1.00 0.27 C ATOM 301 O GLU A 23 -3.300 -5.071 3.158 1.00 0.37 O ATOM 302 CB GLU A 23 -6.153 -4.615 1.872 1.00 0.58 C ATOM 303 CG GLU A 23 -7.369 -4.762 0.978 1.00 0.96 C ATOM 304 CD GLU A 23 -8.367 -3.632 1.179 1.00 0.99 C ATOM 305 OE1 GLU A 23 -8.020 -2.463 0.930 1.00 1.06 O ATOM 306 OE2 GLU A 23 -9.504 -3.908 1.634 1.00 1.09 O ATOM 0 H GLU A 23 -5.334 -7.041 2.593 1.00 0.29 H new ATOM 0 HA GLU A 23 -4.825 -5.300 0.308 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -6.410 -4.964 2.872 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -5.907 -3.557 1.957 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -7.051 -4.783 -0.065 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -7.856 -5.716 1.183 1.00 0.96 H new ATOM 313 N ILE A 24 -3.135 -3.780 1.319 1.00 0.25 N ATOM 314 CA ILE A 24 -2.170 -2.841 1.855 1.00 0.24 C ATOM 315 C ILE A 24 -2.691 -1.443 1.567 1.00 0.29 C ATOM 316 O ILE A 24 -2.569 -0.949 0.458 1.00 0.54 O ATOM 317 CB ILE A 24 -0.781 -3.006 1.190 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.267 -4.438 1.357 1.00 0.26 C ATOM 319 CG2 ILE A 24 0.210 -2.010 1.777 1.00 0.32 C ATOM 320 CD1 ILE A 24 -0.004 -4.821 2.797 1.00 0.27 C ATOM 0 H ILE A 24 -3.334 -3.643 0.328 1.00 0.25 H new ATOM 0 HA ILE A 24 -2.049 -3.020 2.923 1.00 0.24 H new ATOM 0 HB ILE A 24 -0.885 -2.804 0.124 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -0.996 -5.129 0.933 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.653 -4.554 0.785 1.00 0.26 H new ATOM 0 HG21 ILE A 24 1.181 -2.139 1.299 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.148 -0.995 1.604 1.00 0.32 H new ATOM 0 HG23 ILE A 24 0.307 -2.182 2.849 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.358 -5.848 2.840 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.747 -4.154 3.220 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -0.927 -4.737 3.370 1.00 0.27 H new ATOM 332 N GLN A 25 -3.273 -0.801 2.553 1.00 0.21 N ATOM 333 CA GLN A 25 -3.983 0.434 2.307 1.00 0.22 C ATOM 334 C GLN A 25 -3.242 1.630 2.869 1.00 0.20 C ATOM 335 O GLN A 25 -2.706 1.592 3.976 1.00 0.23 O ATOM 336 CB GLN A 25 -5.399 0.343 2.883 1.00 0.27 C ATOM 337 CG GLN A 25 -6.154 1.651 2.864 1.00 0.29 C ATOM 338 CD GLN A 25 -6.261 2.303 4.232 1.00 0.36 C ATOM 339 OE1 GLN A 25 -7.208 2.052 4.970 1.00 0.64 O ATOM 340 NE2 GLN A 25 -5.295 3.135 4.589 1.00 0.30 N ATOM 0 H GLN A 25 -3.270 -1.109 3.525 1.00 0.21 H new ATOM 0 HA GLN A 25 -4.048 0.580 1.229 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -5.963 -0.399 2.318 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.340 -0.016 3.910 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.658 2.339 2.179 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.156 1.478 2.472 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -4.521 3.322 3.951 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -5.324 3.589 5.502 1.00 0.30 H new ATOM 349 N LEU A 26 -3.222 2.698 2.099 1.00 0.19 N ATOM 350 CA LEU A 26 -2.669 3.945 2.562 1.00 0.18 C ATOM 351 C LEU A 26 -3.745 5.015 2.537 1.00 0.22 C ATOM 352 O LEU A 26 -4.623 4.996 1.685 1.00 0.31 O ATOM 353 CB LEU A 26 -1.460 4.393 1.733 1.00 0.22 C ATOM 354 CG LEU A 26 -0.101 3.825 2.166 1.00 0.28 C ATOM 355 CD1 LEU A 26 0.191 4.143 3.626 1.00 0.77 C ATOM 356 CD2 LEU A 26 -0.031 2.326 1.921 1.00 0.85 C ATOM 0 H LEU A 26 -3.585 2.723 1.146 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.316 3.792 3.582 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -1.634 4.115 0.694 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.404 5.481 1.766 1.00 0.22 H new ATOM 0 HG LEU A 26 0.664 4.306 1.556 1.00 0.28 H new ATOM 0 HD11 LEU A 26 1.160 3.727 3.902 1.00 0.77 H new ATOM 0 HD12 LEU A 26 0.206 5.224 3.767 1.00 0.77 H new ATOM 0 HD13 LEU A 26 -0.584 3.706 4.256 1.00 0.77 H new ATOM 0 HD21 LEU A 26 0.942 1.951 2.237 1.00 0.85 H new ATOM 0 HD22 LEU A 26 -0.815 1.827 2.491 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.171 2.124 0.859 1.00 0.85 H new ATOM 368 N PRO A 27 -3.725 5.935 3.497 1.00 0.21 N ATOM 369 CA PRO A 27 -4.696 7.022 3.567 1.00 0.25 C ATOM 370 C PRO A 27 -4.259 8.219 2.738 1.00 0.26 C ATOM 371 O PRO A 27 -4.795 9.319 2.888 1.00 0.35 O ATOM 372 CB PRO A 27 -4.667 7.372 5.042 1.00 0.27 C ATOM 373 CG PRO A 27 -3.227 7.196 5.400 1.00 0.25 C ATOM 374 CD PRO A 27 -2.769 5.991 4.618 1.00 0.22 C ATOM 0 HA PRO A 27 -5.678 6.746 3.184 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -5.006 8.392 5.222 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.311 6.715 5.626 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -2.645 8.080 5.138 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -3.104 7.040 6.472 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -1.743 6.104 4.267 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -2.801 5.083 5.221 1.00 0.22 H new ATOM 382 N SER A 28 -3.264 7.988 1.886 1.00 0.22 N ATOM 383 CA SER A 28 -2.651 9.021 1.055 1.00 0.25 C ATOM 384 C SER A 28 -1.878 10.036 1.897 1.00 0.25 C ATOM 385 O SER A 28 -0.705 10.294 1.634 1.00 0.31 O ATOM 386 CB SER A 28 -3.696 9.733 0.178 1.00 0.35 C ATOM 387 OG SER A 28 -3.084 10.682 -0.676 1.00 0.91 O ATOM 0 H SER A 28 -2.854 7.064 1.751 1.00 0.22 H new ATOM 0 HA SER A 28 -1.941 8.519 0.397 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.236 8.998 -0.418 1.00 0.35 H new ATOM 0 HB3 SER A 28 -4.430 10.230 0.813 1.00 0.35 H new ATOM 0 HG SER A 28 -2.629 10.217 -1.409 1.00 0.91 H new ATOM 393 N ASN A 29 -2.516 10.547 2.935 1.00 0.29 N ATOM 394 CA ASN A 29 -1.973 11.643 3.737 1.00 0.36 C ATOM 395 C ASN A 29 -1.546 12.761 2.789 1.00 0.42 C ATOM 396 O ASN A 29 -0.388 13.178 2.788 1.00 0.48 O ATOM 397 CB ASN A 29 -0.765 11.210 4.583 1.00 0.42 C ATOM 398 CG ASN A 29 -0.757 9.743 4.972 1.00 0.60 C ATOM 399 OD1 ASN A 29 -1.325 9.352 5.987 1.00 1.39 O ATOM 400 ND2 ASN A 29 -0.068 8.928 4.186 1.00 0.39 N ATOM 0 H ASN A 29 -3.428 10.217 3.251 1.00 0.29 H new ATOM 0 HA ASN A 29 -2.748 11.976 4.427 1.00 0.36 H new ATOM 0 HB2 ASN A 29 0.147 11.430 4.029 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -0.739 11.813 5.491 1.00 0.42 H new ATOM 0 HD21 ASN A 29 0.004 7.937 4.417 1.00 0.39 H new ATOM 0 HD22 ASN A 29 0.390 9.292 3.350 1.00 0.39 H new ATOM 407 N PRO A 30 -2.498 13.250 1.970 1.00 0.55 N ATOM 408 CA PRO A 30 -2.214 14.064 0.772 1.00 0.66 C ATOM 409 C PRO A 30 -1.276 15.231 1.022 1.00 0.72 C ATOM 410 O PRO A 30 -1.561 16.120 1.829 1.00 0.82 O ATOM 411 CB PRO A 30 -3.596 14.550 0.355 1.00 0.83 C ATOM 412 CG PRO A 30 -4.496 13.469 0.827 1.00 0.82 C ATOM 413 CD PRO A 30 -3.952 13.070 2.159 1.00 0.75 C ATOM 0 HA PRO A 30 -1.692 13.483 0.011 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -3.841 15.507 0.815 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -3.665 14.688 -0.724 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -5.525 13.819 0.909 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -4.500 12.628 0.134 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -4.339 13.698 2.961 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.205 12.040 2.410 1.00 0.75 H new ATOM 421 N THR A 31 -0.153 15.209 0.326 1.00 0.73 N ATOM 422 CA THR A 31 0.852 16.240 0.470 1.00 0.84 C ATOM 423 C THR A 31 0.712 17.274 -0.653 1.00 1.10 C ATOM 424 O THR A 31 0.590 18.473 -0.396 1.00 1.83 O ATOM 425 CB THR A 31 2.274 15.623 0.474 1.00 0.96 C ATOM 426 OG1 THR A 31 2.682 15.275 -0.858 1.00 1.60 O ATOM 427 CG2 THR A 31 2.304 14.366 1.336 1.00 0.81 C ATOM 0 H THR A 31 0.084 14.482 -0.349 1.00 0.73 H new ATOM 0 HA THR A 31 0.701 16.742 1.425 1.00 0.84 H new ATOM 0 HB THR A 31 2.958 16.368 0.880 1.00 0.96 H new ATOM 0 HG1 THR A 31 3.540 14.802 -0.824 1.00 1.60 H new ATOM 0 HG21 THR A 31 3.309 13.944 1.329 1.00 0.81 H new ATOM 0 HG22 THR A 31 2.024 14.619 2.358 1.00 0.81 H new ATOM 0 HG23 THR A 31 1.601 13.635 0.938 1.00 0.81 H new ATOM 435 N THR A 32 0.709 16.792 -1.895 1.00 1.19 N ATOM 436 CA THR A 32 0.554 17.643 -3.067 1.00 1.43 C ATOM 437 C THR A 32 0.371 16.774 -4.329 1.00 1.47 C ATOM 438 O THR A 32 -0.618 16.050 -4.428 1.00 2.05 O ATOM 439 CB THR A 32 1.739 18.652 -3.202 1.00 1.62 C ATOM 440 OG1 THR A 32 1.688 19.350 -4.453 1.00 2.36 O ATOM 441 CG2 THR A 32 3.090 17.968 -3.045 1.00 1.32 C ATOM 0 H THR A 32 0.814 15.801 -2.114 1.00 1.19 H new ATOM 0 HA THR A 32 -0.345 18.247 -2.947 1.00 1.43 H new ATOM 0 HB THR A 32 1.628 19.373 -2.392 1.00 1.62 H new ATOM 0 HG1 THR A 32 2.440 19.976 -4.509 1.00 2.36 H new ATOM 0 HG21 THR A 32 3.886 18.706 -3.146 1.00 1.32 H new ATOM 0 HG22 THR A 32 3.150 17.502 -2.061 1.00 1.32 H new ATOM 0 HG23 THR A 32 3.203 17.205 -3.815 1.00 1.32 H new ATOM 449 N GLY A 33 1.309 16.832 -5.275 1.00 1.30 N ATOM 450 CA GLY A 33 1.218 16.015 -6.482 1.00 1.26 C ATOM 451 C GLY A 33 1.675 14.592 -6.255 1.00 1.01 C ATOM 452 O GLY A 33 1.446 13.712 -7.081 1.00 1.27 O ATOM 0 H GLY A 33 2.133 17.431 -5.229 1.00 1.30 H new ATOM 0 HA2 GLY A 33 0.187 16.010 -6.836 1.00 1.26 H new ATOM 0 HA3 GLY A 33 1.823 16.466 -7.268 1.00 1.26 H new ATOM 456 N PHE A 34 2.354 14.389 -5.145 1.00 0.86 N ATOM 457 CA PHE A 34 2.824 13.084 -4.734 1.00 0.88 C ATOM 458 C PHE A 34 1.643 12.186 -4.367 1.00 0.79 C ATOM 459 O PHE A 34 0.627 12.663 -3.861 1.00 1.11 O ATOM 460 CB PHE A 34 3.769 13.236 -3.534 1.00 1.25 C ATOM 461 CG PHE A 34 4.992 14.083 -3.792 1.00 1.50 C ATOM 462 CD1 PHE A 34 4.876 15.431 -4.099 1.00 1.95 C ATOM 463 CD2 PHE A 34 6.257 13.533 -3.726 1.00 1.69 C ATOM 464 CE1 PHE A 34 5.984 16.204 -4.333 1.00 2.22 C ATOM 465 CE2 PHE A 34 7.377 14.306 -3.961 1.00 1.94 C ATOM 466 CZ PHE A 34 7.238 15.643 -4.267 1.00 2.08 C ATOM 0 H PHE A 34 2.598 15.136 -4.495 1.00 0.86 H new ATOM 0 HA PHE A 34 3.364 12.621 -5.560 1.00 0.88 H new ATOM 0 HB2 PHE A 34 3.212 13.671 -2.704 1.00 1.25 H new ATOM 0 HB3 PHE A 34 4.092 12.245 -3.216 1.00 1.25 H new ATOM 0 HD1 PHE A 34 3.895 15.880 -4.155 1.00 1.95 H new ATOM 0 HD2 PHE A 34 6.372 12.486 -3.488 1.00 1.69 H new ATOM 0 HE1 PHE A 34 5.872 17.252 -4.569 1.00 2.22 H new ATOM 0 HE2 PHE A 34 8.361 13.864 -3.905 1.00 1.94 H new ATOM 0 HZ PHE A 34 8.112 16.249 -4.455 1.00 2.08 H new ATOM 476 N ALA A 35 1.777 10.897 -4.646 1.00 0.44 N ATOM 477 CA ALA A 35 0.754 9.914 -4.308 1.00 0.37 C ATOM 478 C ALA A 35 1.407 8.563 -4.039 1.00 0.30 C ATOM 479 O ALA A 35 2.528 8.320 -4.502 1.00 0.30 O ATOM 480 CB ALA A 35 -0.251 9.788 -5.443 1.00 0.44 C ATOM 0 H ALA A 35 2.595 10.503 -5.111 1.00 0.44 H new ATOM 0 HA ALA A 35 0.229 10.244 -3.411 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -1.009 9.051 -5.178 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.728 10.753 -5.616 1.00 0.44 H new ATOM 0 HB3 ALA A 35 0.263 9.470 -6.350 1.00 0.44 H new ATOM 486 N TRP A 36 0.729 7.690 -3.290 1.00 0.26 N ATOM 487 CA TRP A 36 1.310 6.396 -2.952 1.00 0.21 C ATOM 488 C TRP A 36 1.229 5.438 -4.129 1.00 0.27 C ATOM 489 O TRP A 36 0.148 5.044 -4.561 1.00 0.43 O ATOM 490 CB TRP A 36 0.646 5.723 -1.740 1.00 0.20 C ATOM 491 CG TRP A 36 0.772 6.444 -0.436 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.150 7.259 0.152 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.876 6.373 0.469 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.310 7.685 1.371 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.550 7.159 1.588 1.00 0.17 C ATOM 496 CE3 TRP A 36 3.105 5.718 0.440 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.405 7.304 2.671 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.959 5.865 1.511 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.605 6.649 2.620 1.00 0.14 C ATOM 0 H TRP A 36 -0.205 7.854 -2.914 1.00 0.26 H new ATOM 0 HA TRP A 36 2.348 6.608 -2.696 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.414 5.592 -1.958 1.00 0.20 H new ATOM 0 HB3 TRP A 36 1.073 4.727 -1.624 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.103 7.529 -0.279 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.194 8.297 2.013 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.383 5.107 -0.406 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 2.134 7.911 3.522 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.918 5.368 1.497 1.00 0.13 H new ATOM 0 HH2 TRP A 36 4.292 6.737 3.448 1.00 0.14 H new ATOM 510 N TYR A 37 2.385 5.099 -4.654 1.00 0.27 N ATOM 511 CA TYR A 37 2.522 4.011 -5.605 1.00 0.34 C ATOM 512 C TYR A 37 3.569 3.064 -5.066 1.00 0.39 C ATOM 513 O TYR A 37 4.150 3.352 -4.043 1.00 0.78 O ATOM 514 CB TYR A 37 2.941 4.532 -6.978 1.00 0.53 C ATOM 515 CG TYR A 37 1.809 5.110 -7.787 1.00 0.61 C ATOM 516 CD1 TYR A 37 1.436 6.444 -7.663 1.00 0.90 C ATOM 517 CD2 TYR A 37 1.113 4.311 -8.679 1.00 1.42 C ATOM 518 CE1 TYR A 37 0.396 6.963 -8.410 1.00 1.47 C ATOM 519 CE2 TYR A 37 0.073 4.823 -9.431 1.00 2.10 C ATOM 520 CZ TYR A 37 -0.283 6.148 -9.291 1.00 2.04 C ATOM 521 OH TYR A 37 -1.318 6.660 -10.043 1.00 2.78 O ATOM 0 H TYR A 37 3.262 5.570 -4.434 1.00 0.27 H new ATOM 0 HA TYR A 37 1.566 3.503 -5.729 1.00 0.34 H new ATOM 0 HB2 TYR A 37 3.707 5.296 -6.847 1.00 0.53 H new ATOM 0 HB3 TYR A 37 3.397 3.717 -7.541 1.00 0.53 H new ATOM 0 HD1 TYR A 37 1.967 7.083 -6.973 1.00 0.90 H new ATOM 0 HD2 TYR A 37 1.387 3.272 -8.788 1.00 1.42 H new ATOM 0 HE1 TYR A 37 0.117 8.001 -8.305 1.00 1.47 H new ATOM 0 HE2 TYR A 37 -0.458 4.189 -10.125 1.00 2.10 H new ATOM 0 HH TYR A 37 -1.688 5.954 -10.613 1.00 2.78 H new ATOM 531 N PHE A 38 3.810 1.939 -5.710 1.00 0.26 N ATOM 532 CA PHE A 38 4.955 1.128 -5.329 1.00 0.25 C ATOM 533 C PHE A 38 6.235 1.889 -5.620 1.00 0.32 C ATOM 534 O PHE A 38 6.969 2.259 -4.709 1.00 0.38 O ATOM 535 CB PHE A 38 4.973 -0.195 -6.068 1.00 0.27 C ATOM 536 CG PHE A 38 4.536 -1.364 -5.229 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.415 -1.966 -4.341 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.252 -1.875 -5.342 1.00 0.33 C ATOM 539 CE1 PHE A 38 5.022 -3.050 -3.581 1.00 0.41 C ATOM 540 CE2 PHE A 38 2.854 -2.963 -4.588 1.00 0.41 C ATOM 541 CZ PHE A 38 3.717 -3.505 -3.653 1.00 0.43 C ATOM 0 H PHE A 38 3.248 1.571 -6.478 1.00 0.26 H new ATOM 0 HA PHE A 38 4.878 0.917 -4.262 1.00 0.25 H new ATOM 0 HB2 PHE A 38 4.323 -0.122 -6.940 1.00 0.27 H new ATOM 0 HB3 PHE A 38 5.982 -0.381 -6.437 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.420 -1.582 -4.243 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.554 -1.417 -6.028 1.00 0.33 H new ATOM 0 HE1 PHE A 38 5.732 -3.542 -2.932 1.00 0.41 H new ATOM 0 HE2 PHE A 38 1.872 -3.389 -4.729 1.00 0.41 H new ATOM 0 HZ PHE A 38 3.374 -4.279 -2.983 1.00 0.43 H new ATOM 551 N GLU A 39 6.490 2.129 -6.897 1.00 0.40 N ATOM 552 CA GLU A 39 7.619 2.949 -7.304 1.00 0.51 C ATOM 553 C GLU A 39 7.193 3.961 -8.361 1.00 0.51 C ATOM 554 O GLU A 39 8.013 4.467 -9.126 1.00 0.61 O ATOM 555 CB GLU A 39 8.767 2.083 -7.820 1.00 0.61 C ATOM 556 CG GLU A 39 8.353 1.088 -8.888 1.00 1.11 C ATOM 557 CD GLU A 39 9.542 0.458 -9.574 1.00 1.75 C ATOM 558 OE1 GLU A 39 10.203 -0.405 -8.962 1.00 2.19 O ATOM 559 OE2 GLU A 39 9.824 0.830 -10.732 1.00 2.39 O ATOM 0 H GLU A 39 5.930 1.767 -7.669 1.00 0.40 H new ATOM 0 HA GLU A 39 7.974 3.493 -6.429 1.00 0.51 H new ATOM 0 HB2 GLU A 39 9.546 2.731 -8.223 1.00 0.61 H new ATOM 0 HB3 GLU A 39 9.205 1.541 -6.982 1.00 0.61 H new ATOM 0 HG2 GLU A 39 7.741 0.307 -8.437 1.00 1.11 H new ATOM 0 HG3 GLU A 39 7.733 1.591 -9.630 1.00 1.11 H new ATOM 566 N GLY A 40 5.898 4.242 -8.403 1.00 0.51 N ATOM 567 CA GLY A 40 5.399 5.288 -9.280 1.00 0.55 C ATOM 568 C GLY A 40 4.939 4.771 -10.626 1.00 0.56 C ATOM 569 O GLY A 40 5.727 4.669 -11.565 1.00 0.73 O ATOM 0 H GLY A 40 5.185 3.768 -7.849 1.00 0.51 H new ATOM 0 HA2 GLY A 40 4.569 5.797 -8.791 1.00 0.55 H new ATOM 0 HA3 GLY A 40 6.183 6.030 -9.432 1.00 0.55 H new ATOM 573 N GLY A 41 3.654 4.465 -10.725 1.00 0.55 N ATOM 574 CA GLY A 41 3.104 3.959 -11.972 1.00 0.70 C ATOM 575 C GLY A 41 3.208 2.449 -12.086 1.00 0.61 C ATOM 576 O GLY A 41 2.628 1.845 -12.988 1.00 0.70 O ATOM 0 H GLY A 41 2.979 4.557 -9.965 1.00 0.55 H new ATOM 0 HA2 GLY A 41 2.058 4.254 -12.049 1.00 0.70 H new ATOM 0 HA3 GLY A 41 3.628 4.420 -12.809 1.00 0.70 H new ATOM 580 N THR A 42 3.927 1.839 -11.157 1.00 0.53 N ATOM 581 CA THR A 42 4.133 0.399 -11.160 1.00 0.51 C ATOM 582 C THR A 42 3.792 -0.221 -9.828 1.00 0.43 C ATOM 583 O THR A 42 3.990 0.393 -8.777 1.00 0.44 O ATOM 584 CB THR A 42 5.578 0.015 -11.469 1.00 0.67 C ATOM 585 OG1 THR A 42 6.428 1.162 -11.329 1.00 1.13 O ATOM 586 CG2 THR A 42 5.702 -0.582 -12.861 1.00 0.92 C ATOM 0 H THR A 42 4.382 2.325 -10.384 1.00 0.53 H new ATOM 0 HA THR A 42 3.471 0.025 -11.941 1.00 0.51 H new ATOM 0 HB THR A 42 5.893 -0.747 -10.756 1.00 0.67 H new ATOM 0 HG1 THR A 42 7.336 0.934 -11.619 1.00 1.13 H new ATOM 0 HG21 THR A 42 6.742 -0.846 -13.053 1.00 0.92 H new ATOM 0 HG22 THR A 42 5.082 -1.476 -12.930 1.00 0.92 H new ATOM 0 HG23 THR A 42 5.370 0.147 -13.600 1.00 0.92 H new ATOM 594 N LYS A 43 3.238 -1.414 -9.889 1.00 0.49 N ATOM 595 CA LYS A 43 2.995 -2.208 -8.709 1.00 0.46 C ATOM 596 C LYS A 43 3.285 -3.677 -8.989 1.00 0.55 C ATOM 597 O LYS A 43 2.996 -4.173 -10.079 1.00 0.75 O ATOM 598 CB LYS A 43 1.563 -2.001 -8.233 1.00 0.58 C ATOM 599 CG LYS A 43 0.506 -2.087 -9.333 1.00 1.15 C ATOM 600 CD LYS A 43 0.161 -3.525 -9.691 1.00 1.41 C ATOM 601 CE LYS A 43 -0.632 -3.617 -10.985 1.00 1.96 C ATOM 602 NZ LYS A 43 -0.910 -5.032 -11.356 1.00 2.52 N ATOM 0 H LYS A 43 2.945 -1.858 -10.759 1.00 0.49 H new ATOM 0 HA LYS A 43 3.667 -1.887 -7.913 1.00 0.46 H new ATOM 0 HB2 LYS A 43 1.336 -2.747 -7.471 1.00 0.58 H new ATOM 0 HB3 LYS A 43 1.491 -1.024 -7.754 1.00 0.58 H new ATOM 0 HG2 LYS A 43 -0.396 -1.569 -9.008 1.00 1.15 H new ATOM 0 HG3 LYS A 43 0.867 -1.570 -10.222 1.00 1.15 H new ATOM 0 HD2 LYS A 43 1.079 -4.105 -9.787 1.00 1.41 H new ATOM 0 HD3 LYS A 43 -0.415 -3.972 -8.881 1.00 1.41 H new ATOM 0 HE2 LYS A 43 -1.573 -3.077 -10.876 1.00 1.96 H new ATOM 0 HE3 LYS A 43 -0.077 -3.132 -11.788 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -1.495 -5.057 -12.215 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 -0.013 -5.527 -11.534 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -1.416 -5.502 -10.578 1.00 2.52 H new ATOM 616 N GLU A 44 3.904 -4.353 -8.032 1.00 0.48 N ATOM 617 CA GLU A 44 4.182 -5.775 -8.168 1.00 0.60 C ATOM 618 C GLU A 44 4.009 -6.512 -6.839 1.00 0.49 C ATOM 619 O GLU A 44 4.280 -5.963 -5.769 1.00 0.54 O ATOM 620 CB GLU A 44 5.595 -5.984 -8.720 1.00 0.83 C ATOM 621 CG GLU A 44 6.684 -5.299 -7.907 1.00 0.92 C ATOM 622 CD GLU A 44 8.052 -5.453 -8.536 1.00 1.48 C ATOM 623 OE1 GLU A 44 8.593 -6.576 -8.524 1.00 1.80 O ATOM 624 OE2 GLU A 44 8.590 -4.456 -9.064 1.00 2.30 O ATOM 0 H GLU A 44 4.223 -3.941 -7.155 1.00 0.48 H new ATOM 0 HA GLU A 44 3.461 -6.193 -8.870 1.00 0.60 H new ATOM 0 HB2 GLU A 44 5.804 -7.053 -8.760 1.00 0.83 H new ATOM 0 HB3 GLU A 44 5.633 -5.613 -9.744 1.00 0.83 H new ATOM 0 HG2 GLU A 44 6.449 -4.239 -7.809 1.00 0.92 H new ATOM 0 HG3 GLU A 44 6.700 -5.717 -6.900 1.00 0.92 H new ATOM 631 N SER A 45 3.536 -7.748 -6.917 1.00 0.61 N ATOM 632 CA SER A 45 3.453 -8.630 -5.764 1.00 0.55 C ATOM 633 C SER A 45 4.562 -9.676 -5.840 1.00 0.80 C ATOM 634 O SER A 45 4.825 -10.239 -6.900 1.00 1.15 O ATOM 635 CB SER A 45 2.098 -9.337 -5.716 1.00 0.83 C ATOM 636 OG SER A 45 1.070 -8.434 -5.367 1.00 1.61 O ATOM 0 H SER A 45 3.199 -8.167 -7.784 1.00 0.61 H new ATOM 0 HA SER A 45 3.567 -8.029 -4.862 1.00 0.55 H new ATOM 0 HB2 SER A 45 1.882 -9.783 -6.687 1.00 0.83 H new ATOM 0 HB3 SER A 45 2.134 -10.151 -4.992 1.00 0.83 H new ATOM 0 HG SER A 45 1.434 -7.731 -4.789 1.00 1.61 H new ATOM 642 N PRO A 46 5.222 -9.948 -4.705 1.00 0.85 N ATOM 643 CA PRO A 46 6.354 -10.885 -4.636 1.00 1.17 C ATOM 644 C PRO A 46 5.991 -12.309 -5.059 1.00 1.12 C ATOM 645 O PRO A 46 6.864 -13.085 -5.447 1.00 1.88 O ATOM 646 CB PRO A 46 6.751 -10.862 -3.156 1.00 1.50 C ATOM 647 CG PRO A 46 6.191 -9.591 -2.625 1.00 1.39 C ATOM 648 CD PRO A 46 4.931 -9.344 -3.397 1.00 0.92 C ATOM 0 HA PRO A 46 7.150 -10.588 -5.319 1.00 1.17 H new ATOM 0 HB2 PRO A 46 6.346 -11.724 -2.626 1.00 1.50 H new ATOM 0 HB3 PRO A 46 7.834 -10.896 -3.038 1.00 1.50 H new ATOM 0 HG2 PRO A 46 5.986 -9.670 -1.557 1.00 1.39 H new ATOM 0 HG3 PRO A 46 6.896 -8.769 -2.754 1.00 1.39 H new ATOM 0 HD2 PRO A 46 4.068 -9.809 -2.921 1.00 0.92 H new ATOM 0 HD3 PRO A 46 4.712 -8.280 -3.483 1.00 0.92 H new ATOM 656 N ASN A 47 4.708 -12.652 -4.985 1.00 1.01 N ATOM 657 CA ASN A 47 4.262 -14.004 -5.321 1.00 1.08 C ATOM 658 C ASN A 47 3.270 -13.991 -6.476 1.00 0.97 C ATOM 659 O ASN A 47 2.451 -14.903 -6.606 1.00 1.25 O ATOM 660 CB ASN A 47 3.605 -14.691 -4.115 1.00 1.23 C ATOM 661 CG ASN A 47 4.551 -14.928 -2.955 1.00 1.53 C ATOM 662 OD1 ASN A 47 5.762 -15.041 -3.133 1.00 2.43 O ATOM 663 ND2 ASN A 47 4.001 -15.041 -1.754 1.00 1.23 N ATOM 0 H ASN A 47 3.962 -12.018 -4.698 1.00 1.01 H new ATOM 0 HA ASN A 47 5.151 -14.561 -5.615 1.00 1.08 H new ATOM 0 HB2 ASN A 47 2.770 -14.080 -3.772 1.00 1.23 H new ATOM 0 HB3 ASN A 47 3.191 -15.647 -4.435 1.00 1.23 H new ATOM 0 HD21 ASN A 47 4.587 -15.228 -0.940 1.00 1.23 H new ATOM 0 HD22 ASN A 47 2.992 -14.941 -1.644 1.00 1.23 H new ATOM 670 N GLU A 48 3.320 -12.964 -7.312 1.00 0.86 N ATOM 671 CA GLU A 48 2.378 -12.866 -8.404 1.00 0.93 C ATOM 672 C GLU A 48 2.881 -13.618 -9.631 1.00 0.93 C ATOM 673 O GLU A 48 3.996 -13.406 -10.115 1.00 1.53 O ATOM 674 CB GLU A 48 2.054 -11.405 -8.725 1.00 1.24 C ATOM 675 CG GLU A 48 3.103 -10.664 -9.534 1.00 1.89 C ATOM 676 CD GLU A 48 2.573 -9.348 -10.056 1.00 2.65 C ATOM 677 OE1 GLU A 48 2.565 -8.359 -9.290 1.00 3.26 O ATOM 678 OE2 GLU A 48 2.180 -9.287 -11.237 1.00 2.99 O ATOM 0 H GLU A 48 3.994 -12.200 -7.253 1.00 0.86 H new ATOM 0 HA GLU A 48 1.448 -13.341 -8.091 1.00 0.93 H new ATOM 0 HB2 GLU A 48 1.110 -11.372 -9.270 1.00 1.24 H new ATOM 0 HB3 GLU A 48 1.900 -10.871 -7.787 1.00 1.24 H new ATOM 0 HG2 GLU A 48 3.981 -10.483 -8.914 1.00 1.89 H new ATOM 0 HG3 GLU A 48 3.425 -11.285 -10.370 1.00 1.89 H new ATOM 685 N SER A 49 2.048 -14.534 -10.087 1.00 0.94 N ATOM 686 CA SER A 49 2.314 -15.350 -11.261 1.00 1.13 C ATOM 687 C SER A 49 0.983 -15.902 -11.744 1.00 1.05 C ATOM 688 O SER A 49 0.629 -15.803 -12.919 1.00 1.48 O ATOM 689 CB SER A 49 3.272 -16.501 -10.927 1.00 1.39 C ATOM 690 OG SER A 49 4.499 -16.019 -10.399 1.00 2.06 O ATOM 0 H SER A 49 1.151 -14.737 -9.646 1.00 0.94 H new ATOM 0 HA SER A 49 2.789 -14.746 -12.034 1.00 1.13 H new ATOM 0 HB2 SER A 49 2.802 -17.170 -10.206 1.00 1.39 H new ATOM 0 HB3 SER A 49 3.466 -17.087 -11.825 1.00 1.39 H new ATOM 0 HG SER A 49 4.561 -15.052 -10.546 1.00 2.06 H new ATOM 696 N MET A 50 0.247 -16.468 -10.800 1.00 0.77 N ATOM 697 CA MET A 50 -1.112 -16.923 -11.040 1.00 0.69 C ATOM 698 C MET A 50 -2.090 -15.926 -10.431 1.00 0.60 C ATOM 699 O MET A 50 -3.116 -15.590 -11.019 1.00 0.66 O ATOM 700 CB MET A 50 -1.328 -18.327 -10.463 1.00 0.68 C ATOM 701 CG MET A 50 -1.211 -18.433 -8.942 1.00 0.66 C ATOM 702 SD MET A 50 0.382 -17.872 -8.302 1.00 1.25 S ATOM 703 CE MET A 50 0.094 -17.966 -6.536 1.00 1.10 C ATOM 0 H MET A 50 0.575 -16.624 -9.847 1.00 0.77 H new ATOM 0 HA MET A 50 -1.286 -16.982 -12.114 1.00 0.69 H new ATOM 0 HB2 MET A 50 -2.317 -18.676 -10.760 1.00 0.68 H new ATOM 0 HB3 MET A 50 -0.602 -19.003 -10.915 1.00 0.68 H new ATOM 0 HG2 MET A 50 -2.006 -17.845 -8.482 1.00 0.66 H new ATOM 0 HG3 MET A 50 -1.369 -19.470 -8.645 1.00 0.66 H new ATOM 0 HE1 MET A 50 0.758 -17.271 -6.022 1.00 1.10 H new ATOM 0 HE2 MET A 50 -0.942 -17.704 -6.322 1.00 1.10 H new ATOM 0 HE3 MET A 50 0.291 -18.980 -6.189 1.00 1.10 H new ATOM 713 N PHE A 51 -1.744 -15.453 -9.247 1.00 0.52 N ATOM 714 CA PHE A 51 -2.475 -14.391 -8.584 1.00 0.44 C ATOM 715 C PHE A 51 -1.658 -13.109 -8.678 1.00 0.51 C ATOM 716 O PHE A 51 -0.480 -13.172 -9.014 1.00 0.74 O ATOM 717 CB PHE A 51 -2.772 -14.784 -7.135 1.00 0.37 C ATOM 718 CG PHE A 51 -4.060 -15.546 -6.984 1.00 0.38 C ATOM 719 CD1 PHE A 51 -4.254 -16.750 -7.644 1.00 0.60 C ATOM 720 CD2 PHE A 51 -5.074 -15.063 -6.173 1.00 0.40 C ATOM 721 CE1 PHE A 51 -5.432 -17.453 -7.499 1.00 0.73 C ATOM 722 CE2 PHE A 51 -6.252 -15.762 -6.024 1.00 0.49 C ATOM 723 CZ PHE A 51 -6.445 -16.944 -6.725 1.00 0.61 C ATOM 0 H PHE A 51 -0.944 -15.797 -8.717 1.00 0.52 H new ATOM 0 HA PHE A 51 -3.436 -14.223 -9.070 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -1.951 -15.391 -6.753 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -2.815 -13.884 -6.522 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -3.473 -17.142 -8.279 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -4.939 -14.127 -5.651 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -5.557 -18.404 -7.995 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -7.022 -15.391 -5.364 1.00 0.49 H new ATOM 0 HZ PHE A 51 -7.390 -17.462 -6.662 1.00 0.61 H new ATOM 733 N THR A 52 -2.258 -11.960 -8.395 1.00 0.47 N ATOM 734 CA THR A 52 -1.616 -10.687 -8.701 1.00 0.61 C ATOM 735 C THR A 52 -2.275 -9.529 -7.948 1.00 0.49 C ATOM 736 O THR A 52 -3.320 -9.693 -7.318 1.00 0.75 O ATOM 737 CB THR A 52 -1.624 -10.401 -10.223 1.00 1.10 C ATOM 738 OG1 THR A 52 -0.774 -9.281 -10.520 1.00 1.41 O ATOM 739 CG2 THR A 52 -3.035 -10.120 -10.725 1.00 1.46 C ATOM 0 H THR A 52 -3.177 -11.882 -7.959 1.00 0.47 H new ATOM 0 HA THR A 52 -0.581 -10.768 -8.369 1.00 0.61 H new ATOM 0 HB THR A 52 -1.249 -11.289 -10.732 1.00 1.10 H new ATOM 0 HG1 THR A 52 0.084 -9.604 -10.866 1.00 1.41 H new ATOM 0 HG21 THR A 52 -3.007 -9.923 -11.797 1.00 1.46 H new ATOM 0 HG22 THR A 52 -3.669 -10.985 -10.531 1.00 1.46 H new ATOM 0 HG23 THR A 52 -3.439 -9.251 -10.207 1.00 1.46 H new ATOM 747 N VAL A 53 -1.636 -8.369 -8.008 1.00 0.46 N ATOM 748 CA VAL A 53 -2.078 -7.190 -7.277 1.00 0.44 C ATOM 749 C VAL A 53 -2.805 -6.206 -8.194 1.00 0.49 C ATOM 750 O VAL A 53 -2.364 -5.934 -9.312 1.00 0.76 O ATOM 751 CB VAL A 53 -0.869 -6.470 -6.629 1.00 0.67 C ATOM 752 CG1 VAL A 53 0.268 -6.311 -7.629 1.00 1.00 C ATOM 753 CG2 VAL A 53 -1.270 -5.111 -6.070 1.00 1.31 C ATOM 0 H VAL A 53 -0.795 -8.219 -8.566 1.00 0.46 H new ATOM 0 HA VAL A 53 -2.767 -7.528 -6.503 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.523 -7.091 -5.803 1.00 0.67 H new ATOM 0 HG11 VAL A 53 1.105 -5.803 -7.150 1.00 1.00 H new ATOM 0 HG12 VAL A 53 0.589 -7.294 -7.974 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -0.075 -5.722 -8.480 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.400 -4.631 -5.622 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -1.655 -4.486 -6.875 1.00 1.31 H new ATOM 0 HG23 VAL A 53 -2.042 -5.243 -5.312 1.00 1.31 H new ATOM 763 N GLU A 54 -3.929 -5.693 -7.720 1.00 0.45 N ATOM 764 CA GLU A 54 -4.620 -4.601 -8.383 1.00 0.52 C ATOM 765 C GLU A 54 -4.702 -3.425 -7.421 1.00 0.46 C ATOM 766 O GLU A 54 -4.987 -3.600 -6.239 1.00 0.59 O ATOM 767 CB GLU A 54 -6.026 -5.015 -8.849 1.00 0.71 C ATOM 768 CG GLU A 54 -6.961 -5.493 -7.744 1.00 1.35 C ATOM 769 CD GLU A 54 -6.759 -6.949 -7.375 1.00 1.86 C ATOM 770 OE1 GLU A 54 -6.706 -7.796 -8.293 1.00 2.45 O ATOM 771 OE2 GLU A 54 -6.686 -7.259 -6.167 1.00 2.18 O ATOM 0 H GLU A 54 -4.386 -6.021 -6.869 1.00 0.45 H new ATOM 0 HA GLU A 54 -4.061 -4.319 -9.275 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -6.489 -4.167 -9.353 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -5.927 -5.810 -9.588 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -6.810 -4.877 -6.858 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -7.993 -5.346 -8.062 1.00 1.35 H new ATOM 778 N ASN A 55 -4.439 -2.231 -7.901 1.00 0.49 N ATOM 779 CA ASN A 55 -4.444 -1.080 -7.017 1.00 0.46 C ATOM 780 C ASN A 55 -5.700 -0.261 -7.183 1.00 0.46 C ATOM 781 O ASN A 55 -6.325 -0.255 -8.245 1.00 0.65 O ATOM 782 CB ASN A 55 -3.247 -0.183 -7.237 1.00 0.62 C ATOM 783 CG ASN A 55 -1.940 -0.822 -6.837 1.00 1.21 C ATOM 784 OD1 ASN A 55 -1.907 -1.812 -6.104 1.00 1.84 O ATOM 785 ND2 ASN A 55 -0.848 -0.227 -7.277 1.00 1.93 N ATOM 0 H ASN A 55 -4.223 -2.029 -8.877 1.00 0.49 H new ATOM 0 HA ASN A 55 -4.400 -1.482 -6.005 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -3.200 0.096 -8.290 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -3.382 0.737 -6.669 1.00 0.62 H new ATOM 0 HD21 ASN A 55 0.070 -0.585 -7.012 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -0.921 0.591 -7.882 1.00 1.93 H new ATOM 792 N LYS A 56 -6.053 0.438 -6.124 1.00 0.42 N ATOM 793 CA LYS A 56 -7.241 1.256 -6.107 1.00 0.43 C ATOM 794 C LYS A 56 -7.029 2.441 -5.158 1.00 0.46 C ATOM 795 O LYS A 56 -6.947 2.284 -3.936 1.00 0.53 O ATOM 796 CB LYS A 56 -8.449 0.376 -5.728 1.00 0.55 C ATOM 797 CG LYS A 56 -9.361 0.947 -4.663 1.00 1.03 C ATOM 798 CD LYS A 56 -9.210 0.200 -3.346 1.00 0.62 C ATOM 799 CE LYS A 56 -10.130 0.780 -2.293 1.00 1.26 C ATOM 800 NZ LYS A 56 -11.563 0.546 -2.617 1.00 1.42 N ATOM 0 H LYS A 56 -5.523 0.453 -5.253 1.00 0.42 H new ATOM 0 HA LYS A 56 -7.447 1.677 -7.091 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -9.038 0.192 -6.626 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -8.079 -0.591 -5.385 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -9.132 2.002 -4.513 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -10.396 0.890 -4.999 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -9.437 -0.856 -3.493 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -8.176 0.259 -3.005 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -9.900 0.335 -1.325 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.949 1.851 -2.203 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -12.105 0.438 -1.736 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -11.934 1.355 -3.155 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -11.653 -0.319 -3.187 1.00 1.42 H new ATOM 814 N TYR A 57 -6.895 3.623 -5.735 1.00 0.48 N ATOM 815 CA TYR A 57 -6.570 4.813 -4.965 1.00 0.56 C ATOM 816 C TYR A 57 -7.718 5.804 -5.003 1.00 0.57 C ATOM 817 O TYR A 57 -8.297 6.047 -6.062 1.00 0.71 O ATOM 818 CB TYR A 57 -5.330 5.518 -5.511 1.00 0.69 C ATOM 819 CG TYR A 57 -4.317 4.632 -6.203 1.00 0.54 C ATOM 820 CD1 TYR A 57 -3.371 3.940 -5.461 1.00 0.61 C ATOM 821 CD2 TYR A 57 -4.329 4.455 -7.581 1.00 0.91 C ATOM 822 CE1 TYR A 57 -2.458 3.103 -6.070 1.00 0.98 C ATOM 823 CE2 TYR A 57 -3.422 3.611 -8.197 1.00 1.19 C ATOM 824 CZ TYR A 57 -2.428 3.072 -7.514 1.00 1.19 C ATOM 825 OH TYR A 57 -1.581 2.095 -8.039 1.00 1.66 O ATOM 0 H TYR A 57 -7.006 3.785 -6.736 1.00 0.48 H new ATOM 0 HA TYR A 57 -6.382 4.481 -3.944 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -5.652 6.286 -6.214 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -4.834 6.029 -4.686 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -3.349 4.058 -4.388 1.00 0.61 H new ATOM 0 HD2 TYR A 57 -5.056 4.983 -8.180 1.00 0.91 H new ATOM 0 HE1 TYR A 57 -1.787 2.491 -5.486 1.00 0.98 H new ATOM 0 HE2 TYR A 57 -3.528 3.390 -9.249 1.00 1.19 H new ATOM 0 HH TYR A 57 -0.768 2.519 -8.386 1.00 1.66 H new ATOM 835 N PHE A 58 -8.054 6.365 -3.852 1.00 0.52 N ATOM 836 CA PHE A 58 -8.984 7.479 -3.804 1.00 0.60 C ATOM 837 C PHE A 58 -8.472 8.553 -2.859 1.00 0.73 C ATOM 838 O PHE A 58 -8.670 8.463 -1.653 1.00 0.80 O ATOM 839 CB PHE A 58 -10.353 7.013 -3.299 1.00 0.67 C ATOM 840 CG PHE A 58 -11.033 6.008 -4.184 1.00 0.96 C ATOM 841 CD1 PHE A 58 -11.802 6.415 -5.261 1.00 1.19 C ATOM 842 CD2 PHE A 58 -10.892 4.653 -3.939 1.00 1.56 C ATOM 843 CE1 PHE A 58 -12.421 5.491 -6.076 1.00 1.65 C ATOM 844 CE2 PHE A 58 -11.509 3.721 -4.751 1.00 2.14 C ATOM 845 CZ PHE A 58 -12.302 4.161 -5.819 1.00 2.08 C ATOM 0 H PHE A 58 -7.698 6.068 -2.943 1.00 0.52 H new ATOM 0 HA PHE A 58 -9.076 7.880 -4.813 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -10.232 6.581 -2.306 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -11.002 7.882 -3.192 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -11.918 7.469 -5.465 1.00 1.19 H new ATOM 0 HD2 PHE A 58 -10.293 4.321 -3.104 1.00 1.56 H new ATOM 0 HE1 PHE A 58 -13.003 5.825 -6.922 1.00 1.65 H new ATOM 0 HE2 PHE A 58 -11.381 2.665 -4.565 1.00 2.14 H new ATOM 0 HZ PHE A 58 -12.819 3.443 -6.439 1.00 2.08 H new ATOM 990 N GLY A 69 -7.158 10.936 2.420 1.00 1.49 N ATOM 991 CA GLY A 69 -7.278 10.118 1.237 1.00 1.05 C ATOM 992 C GLY A 69 -7.436 8.650 1.577 1.00 0.84 C ATOM 993 O GLY A 69 -7.471 8.277 2.750 1.00 1.12 O ATOM 0 HA2 GLY A 69 -8.136 10.449 0.652 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -6.395 10.253 0.612 1.00 1.05 H new ATOM 997 N THR A 70 -7.513 7.821 0.552 1.00 0.52 N ATOM 998 CA THR A 70 -7.614 6.385 0.713 1.00 0.46 C ATOM 999 C THR A 70 -7.117 5.662 -0.528 1.00 0.39 C ATOM 1000 O THR A 70 -7.896 5.222 -1.369 1.00 0.44 O ATOM 1001 CB THR A 70 -9.047 5.935 1.016 1.00 0.58 C ATOM 1002 OG1 THR A 70 -9.985 6.926 0.575 1.00 0.97 O ATOM 1003 CG2 THR A 70 -9.206 5.668 2.501 1.00 0.59 C ATOM 0 H THR A 70 -7.507 8.128 -0.421 1.00 0.52 H new ATOM 0 HA THR A 70 -6.985 6.126 1.565 1.00 0.46 H new ATOM 0 HB THR A 70 -9.249 5.011 0.475 1.00 0.58 H new ATOM 0 HG1 THR A 70 -10.896 6.625 0.773 1.00 0.97 H new ATOM 0 HG21 THR A 70 -10.228 5.349 2.706 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.513 4.884 2.806 1.00 0.59 H new ATOM 0 HG23 THR A 70 -8.992 6.579 3.060 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.816 5.526 -0.617 1.00 0.34 N ATOM 1012 CA GLU A 71 -5.179 4.853 -1.732 1.00 0.34 C ATOM 1013 C GLU A 71 -4.727 3.474 -1.272 1.00 0.31 C ATOM 1014 O GLU A 71 -3.748 3.352 -0.543 1.00 0.31 O ATOM 1015 CB GLU A 71 -3.972 5.673 -2.216 1.00 0.36 C ATOM 1016 CG GLU A 71 -4.298 7.135 -2.481 1.00 0.47 C ATOM 1017 CD GLU A 71 -3.109 7.923 -2.999 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -2.291 8.373 -2.175 1.00 0.53 O ATOM 1019 OE2 GLU A 71 -2.981 8.074 -4.235 1.00 0.81 O ATOM 0 H GLU A 71 -5.163 5.879 0.083 1.00 0.34 H new ATOM 0 HA GLU A 71 -5.882 4.753 -2.559 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -3.181 5.615 -1.469 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -3.581 5.225 -3.130 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -5.110 7.195 -3.206 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.658 7.594 -1.560 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.447 2.429 -1.659 1.00 0.31 N ATOM 1027 CA HIS A 72 -5.106 1.103 -1.169 1.00 0.32 C ATOM 1028 C HIS A 72 -4.511 0.259 -2.272 1.00 0.29 C ATOM 1029 O HIS A 72 -4.847 0.398 -3.448 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.272 0.293 -0.575 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.424 1.027 0.045 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.374 0.370 0.792 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -7.796 2.329 0.039 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -9.275 1.229 1.213 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -8.952 2.429 0.771 1.00 0.53 N ATOM 0 H HIS A 72 -6.246 2.470 -2.291 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.399 1.307 -0.365 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -6.672 -0.338 -1.368 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -5.859 -0.372 0.183 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -8.378 -0.631 0.989 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.278 3.140 -0.452 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -10.136 0.992 1.820 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.652 -0.637 -1.857 1.00 0.25 N ATOM 1045 CA PHE A 73 -3.018 -1.592 -2.730 1.00 0.25 C ATOM 1046 C PHE A 73 -3.574 -2.970 -2.438 1.00 0.25 C ATOM 1047 O PHE A 73 -3.415 -3.498 -1.338 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.512 -1.539 -2.497 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.891 -0.310 -3.096 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -1.261 0.951 -2.666 1.00 0.75 C ATOM 1051 CD2 PHE A 73 0.071 -0.420 -4.089 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.679 2.079 -3.212 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.652 0.703 -4.638 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.236 1.970 -4.207 1.00 1.13 C ATOM 0 H PHE A 73 -3.368 -0.725 -0.881 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.216 -1.358 -3.776 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.310 -1.561 -1.426 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -1.047 -2.426 -2.928 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -2.012 1.055 -1.896 1.00 0.75 H new ATOM 0 HD2 PHE A 73 0.369 -1.398 -4.437 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.955 3.056 -2.843 1.00 1.10 H new ATOM 0 HE2 PHE A 73 1.419 0.608 -5.392 1.00 0.88 H new ATOM 0 HZ PHE A 73 0.644 2.858 -4.667 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.257 -3.535 -3.405 1.00 0.25 N ATOM 1065 CA HIS A 74 -4.938 -4.797 -3.210 1.00 0.30 C ATOM 1066 C HIS A 74 -4.168 -5.919 -3.875 1.00 0.31 C ATOM 1067 O HIS A 74 -4.149 -6.020 -5.093 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.342 -4.749 -3.815 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.358 -3.981 -3.031 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.699 -4.264 -3.110 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -7.246 -2.935 -2.168 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -9.369 -3.438 -2.337 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -8.518 -2.620 -1.745 1.00 0.45 N ATOM 0 H HIS A 74 -4.357 -3.140 -4.340 1.00 0.25 H new ATOM 0 HA HIS A 74 -5.006 -4.977 -2.137 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.274 -4.314 -4.812 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.701 -5.771 -3.937 1.00 0.38 H new ATOM 0 HD2 HIS A 74 -6.331 -2.444 -1.871 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -10.441 -3.430 -2.207 1.00 0.47 H new ATOM 0 HE2 HIS A 74 -8.762 -1.880 -1.086 1.00 0.45 H new ATOM 1082 N VAL A 75 -3.540 -6.773 -3.096 1.00 0.25 N ATOM 1083 CA VAL A 75 -2.873 -7.909 -3.686 1.00 0.26 C ATOM 1084 C VAL A 75 -3.726 -9.150 -3.460 1.00 0.25 C ATOM 1085 O VAL A 75 -4.030 -9.541 -2.331 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.416 -8.121 -3.169 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -0.622 -6.824 -3.190 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -1.391 -8.722 -1.783 1.00 0.87 C ATOM 0 H VAL A 75 -3.478 -6.706 -2.080 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.767 -7.712 -4.753 1.00 0.26 H new ATOM 0 HB VAL A 75 -0.944 -8.827 -3.853 1.00 0.33 H new ATOM 0 HG11 VAL A 75 0.388 -7.009 -2.823 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -0.573 -6.444 -4.210 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -1.110 -6.088 -2.551 1.00 0.71 H new ATOM 0 HG21 VAL A 75 -0.358 -8.853 -1.462 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -1.906 -8.057 -1.089 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -1.892 -9.690 -1.797 1.00 0.87 H new ATOM 1098 N THR A 76 -4.162 -9.739 -4.543 1.00 0.28 N ATOM 1099 CA THR A 76 -4.962 -10.932 -4.464 1.00 0.32 C ATOM 1100 C THR A 76 -4.077 -12.109 -4.794 1.00 0.34 C ATOM 1101 O THR A 76 -3.715 -12.323 -5.948 1.00 0.39 O ATOM 1102 CB THR A 76 -6.162 -10.879 -5.435 1.00 0.40 C ATOM 1103 OG1 THR A 76 -6.964 -9.717 -5.175 1.00 0.46 O ATOM 1104 CG2 THR A 76 -7.031 -12.122 -5.302 1.00 0.45 C ATOM 0 H THR A 76 -3.976 -9.411 -5.491 1.00 0.28 H new ATOM 0 HA THR A 76 -5.370 -11.025 -3.458 1.00 0.32 H new ATOM 0 HB THR A 76 -5.764 -10.832 -6.449 1.00 0.40 H new ATOM 0 HG1 THR A 76 -6.543 -8.931 -5.581 1.00 0.46 H new ATOM 0 HG21 THR A 76 -7.868 -12.057 -5.997 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.437 -13.007 -5.530 1.00 0.45 H new ATOM 0 HG23 THR A 76 -7.411 -12.193 -4.283 1.00 0.45 H new ATOM 1112 N VAL A 77 -3.689 -12.837 -3.761 1.00 0.36 N ATOM 1113 CA VAL A 77 -2.753 -13.933 -3.901 1.00 0.41 C ATOM 1114 C VAL A 77 -2.944 -14.946 -2.784 1.00 0.45 C ATOM 1115 O VAL A 77 -3.293 -14.579 -1.664 1.00 0.60 O ATOM 1116 CB VAL A 77 -1.287 -13.418 -3.886 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -1.048 -12.508 -2.689 1.00 0.90 C ATOM 1118 CG2 VAL A 77 -0.291 -14.572 -3.872 1.00 1.04 C ATOM 0 H VAL A 77 -4.014 -12.684 -2.806 1.00 0.36 H new ATOM 0 HA VAL A 77 -2.948 -14.414 -4.860 1.00 0.41 H new ATOM 0 HB VAL A 77 -1.132 -12.846 -4.801 1.00 0.53 H new ATOM 0 HG11 VAL A 77 -0.016 -12.159 -2.698 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -1.721 -11.652 -2.742 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -1.236 -13.061 -1.769 1.00 0.90 H new ATOM 0 HG21 VAL A 77 0.724 -14.176 -3.862 1.00 1.04 H new ATOM 0 HG22 VAL A 77 -0.452 -15.181 -2.982 1.00 1.04 H new ATOM 0 HG23 VAL A 77 -0.432 -15.185 -4.762 1.00 1.04 H new ATOM 1128 N LYS A 78 -2.761 -16.219 -3.103 1.00 0.39 N ATOM 1129 CA LYS A 78 -2.616 -17.226 -2.078 1.00 0.41 C ATOM 1130 C LYS A 78 -1.393 -18.085 -2.394 1.00 0.40 C ATOM 1131 O LYS A 78 -1.394 -18.903 -3.316 1.00 0.42 O ATOM 1132 CB LYS A 78 -3.905 -18.058 -1.895 1.00 0.48 C ATOM 1133 CG LYS A 78 -4.128 -19.208 -2.874 1.00 0.77 C ATOM 1134 CD LYS A 78 -4.311 -18.737 -4.306 1.00 0.61 C ATOM 1135 CE LYS A 78 -4.592 -19.906 -5.238 1.00 1.29 C ATOM 1136 NZ LYS A 78 -3.505 -20.920 -5.211 1.00 1.54 N ATOM 0 H LYS A 78 -2.711 -16.571 -4.059 1.00 0.39 H new ATOM 0 HA LYS A 78 -2.454 -16.740 -1.116 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -3.904 -18.467 -0.885 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -4.758 -17.383 -1.965 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -3.278 -19.889 -2.827 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -5.008 -19.774 -2.568 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -5.134 -18.024 -4.355 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -3.415 -18.212 -4.636 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -5.533 -20.377 -4.954 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -4.716 -19.536 -6.256 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -3.624 -21.578 -6.008 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -2.584 -20.444 -5.290 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -3.546 -21.449 -4.316 1.00 1.54 H new ATOM 1150 N ALA A 79 -0.315 -17.825 -1.671 1.00 0.39 N ATOM 1151 CA ALA A 79 0.932 -18.545 -1.865 1.00 0.40 C ATOM 1152 C ALA A 79 1.881 -18.283 -0.714 1.00 0.43 C ATOM 1153 O ALA A 79 2.046 -17.138 -0.303 1.00 0.67 O ATOM 1154 CB ALA A 79 1.586 -18.155 -3.184 1.00 0.46 C ATOM 0 H ALA A 79 -0.280 -17.115 -0.939 1.00 0.39 H new ATOM 0 HA ALA A 79 0.704 -19.610 -1.897 1.00 0.40 H new ATOM 0 HB1 ALA A 79 2.518 -18.708 -3.306 1.00 0.46 H new ATOM 0 HB2 ALA A 79 0.913 -18.392 -4.008 1.00 0.46 H new ATOM 0 HB3 ALA A 79 1.796 -17.085 -3.184 1.00 0.46 H new ATOM 1160 N ALA A 80 2.501 -19.344 -0.211 1.00 0.34 N ATOM 1161 CA ALA A 80 3.433 -19.240 0.903 1.00 0.33 C ATOM 1162 C ALA A 80 4.667 -18.438 0.520 1.00 0.34 C ATOM 1163 O ALA A 80 5.565 -18.930 -0.168 1.00 0.44 O ATOM 1164 CB ALA A 80 3.826 -20.622 1.402 1.00 0.37 C ATOM 0 H ALA A 80 2.373 -20.293 -0.561 1.00 0.34 H new ATOM 0 HA ALA A 80 2.929 -18.709 1.711 1.00 0.33 H new ATOM 0 HB1 ALA A 80 4.523 -20.524 2.234 1.00 0.37 H new ATOM 0 HB2 ALA A 80 2.936 -21.155 1.735 1.00 0.37 H new ATOM 0 HB3 ALA A 80 4.302 -21.179 0.595 1.00 0.37 H new ATOM 1170 N GLY A 81 4.687 -17.193 0.958 1.00 0.28 N ATOM 1171 CA GLY A 81 5.794 -16.302 0.697 1.00 0.29 C ATOM 1172 C GLY A 81 5.712 -15.098 1.593 1.00 0.25 C ATOM 1173 O GLY A 81 4.685 -14.867 2.218 1.00 0.26 O ATOM 0 H GLY A 81 3.935 -16.774 1.505 1.00 0.28 H new ATOM 0 HA2 GLY A 81 6.737 -16.823 0.861 1.00 0.29 H new ATOM 0 HA3 GLY A 81 5.781 -15.989 -0.347 1.00 0.29 H new ATOM 1177 N THR A 82 6.757 -14.320 1.673 1.00 0.26 N ATOM 1178 CA THR A 82 6.720 -13.157 2.531 1.00 0.25 C ATOM 1179 C THR A 82 6.490 -11.908 1.684 1.00 0.25 C ATOM 1180 O THR A 82 7.134 -11.718 0.655 1.00 0.30 O ATOM 1181 CB THR A 82 8.014 -13.026 3.362 1.00 0.32 C ATOM 1182 OG1 THR A 82 8.480 -14.330 3.752 1.00 0.40 O ATOM 1183 CG2 THR A 82 7.754 -12.209 4.615 1.00 0.36 C ATOM 0 H THR A 82 7.631 -14.462 1.167 1.00 0.26 H new ATOM 0 HA THR A 82 5.896 -13.271 3.235 1.00 0.25 H new ATOM 0 HB THR A 82 8.766 -12.529 2.750 1.00 0.32 H new ATOM 0 HG1 THR A 82 9.302 -14.240 4.278 1.00 0.40 H new ATOM 0 HG21 THR A 82 8.675 -12.124 5.192 1.00 0.36 H new ATOM 0 HG22 THR A 82 7.408 -11.214 4.335 1.00 0.36 H new ATOM 0 HG23 THR A 82 6.992 -12.701 5.219 1.00 0.36 H new ATOM 1191 N HIS A 83 5.541 -11.078 2.103 1.00 0.24 N ATOM 1192 CA HIS A 83 5.139 -9.920 1.321 1.00 0.25 C ATOM 1193 C HIS A 83 5.724 -8.651 1.932 1.00 0.24 C ATOM 1194 O HIS A 83 5.200 -8.129 2.915 1.00 0.24 O ATOM 1195 CB HIS A 83 3.596 -9.797 1.274 1.00 0.27 C ATOM 1196 CG HIS A 83 3.096 -8.982 0.115 1.00 0.31 C ATOM 1197 ND1 HIS A 83 3.382 -7.642 -0.037 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.323 -9.318 -0.947 1.00 0.37 C ATOM 1199 CE1 HIS A 83 2.808 -7.186 -1.135 1.00 0.40 C ATOM 1200 NE2 HIS A 83 2.159 -8.183 -1.708 1.00 0.39 N ATOM 0 H HIS A 83 5.036 -11.188 2.982 1.00 0.24 H new ATOM 0 HA HIS A 83 5.515 -10.049 0.306 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.161 -10.795 1.221 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.247 -9.346 2.203 1.00 0.27 H new ATOM 0 HD2 HIS A 83 1.912 -10.295 -1.157 1.00 0.37 H new ATOM 0 HE1 HIS A 83 2.860 -6.171 -1.502 1.00 0.40 H new ATOM 0 HE2 HIS A 83 1.623 -8.122 -2.574 1.00 0.39 H new ATOM 1209 N ALA A 84 6.776 -8.130 1.323 1.00 0.25 N ATOM 1210 CA ALA A 84 7.372 -6.886 1.777 1.00 0.25 C ATOM 1211 C ALA A 84 6.926 -5.764 0.865 1.00 0.25 C ATOM 1212 O ALA A 84 7.111 -5.825 -0.349 1.00 0.35 O ATOM 1213 CB ALA A 84 8.891 -6.988 1.803 1.00 0.31 C ATOM 0 H ALA A 84 7.234 -8.549 0.514 1.00 0.25 H new ATOM 0 HA ALA A 84 7.041 -6.680 2.795 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.313 -6.044 2.146 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.190 -7.787 2.481 1.00 0.31 H new ATOM 0 HB3 ALA A 84 9.258 -7.206 0.800 1.00 0.31 H new ATOM 1219 N VAL A 85 6.298 -4.758 1.445 1.00 0.22 N ATOM 1220 CA VAL A 85 5.643 -3.732 0.654 1.00 0.23 C ATOM 1221 C VAL A 85 6.316 -2.384 0.817 1.00 0.22 C ATOM 1222 O VAL A 85 6.228 -1.767 1.882 1.00 0.25 O ATOM 1223 CB VAL A 85 4.169 -3.582 1.048 1.00 0.26 C ATOM 1224 CG1 VAL A 85 3.399 -2.864 -0.045 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.558 -4.935 1.376 1.00 0.59 C ATOM 0 H VAL A 85 6.227 -4.629 2.454 1.00 0.22 H new ATOM 0 HA VAL A 85 5.719 -4.053 -0.385 1.00 0.23 H new ATOM 0 HB VAL A 85 4.107 -2.973 1.950 1.00 0.26 H new ATOM 0 HG11 VAL A 85 2.354 -2.766 0.250 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.827 -1.874 -0.201 1.00 0.50 H new ATOM 0 HG13 VAL A 85 3.462 -3.436 -0.971 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.512 -4.804 1.653 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.624 -5.585 0.504 1.00 0.59 H new ATOM 0 HG23 VAL A 85 4.099 -5.387 2.207 1.00 0.59 H new ATOM 1235 N ASN A 86 6.983 -1.934 -0.238 1.00 0.22 N ATOM 1236 CA ASN A 86 7.585 -0.607 -0.263 1.00 0.22 C ATOM 1237 C ASN A 86 6.812 0.273 -1.222 1.00 0.20 C ATOM 1238 O ASN A 86 6.941 0.153 -2.437 1.00 0.24 O ATOM 1239 CB ASN A 86 9.053 -0.658 -0.705 1.00 0.28 C ATOM 1240 CG ASN A 86 9.908 -1.600 0.117 1.00 0.85 C ATOM 1241 OD1 ASN A 86 10.950 -2.067 -0.341 1.00 1.53 O ATOM 1242 ND2 ASN A 86 9.460 -1.918 1.321 1.00 0.94 N ATOM 0 H ASN A 86 7.121 -2.473 -1.093 1.00 0.22 H new ATOM 0 HA ASN A 86 7.548 -0.202 0.748 1.00 0.22 H new ATOM 0 HB2 ASN A 86 9.097 -0.962 -1.751 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.475 0.345 -0.646 1.00 0.28 H new ATOM 0 HD21 ASN A 86 9.983 -2.571 1.904 1.00 0.94 H new ATOM 0 HD22 ASN A 86 8.591 -1.510 1.666 1.00 0.94 H new ATOM 1249 N LEU A 87 6.008 1.154 -0.669 1.00 0.18 N ATOM 1250 CA LEU A 87 5.187 2.031 -1.473 1.00 0.19 C ATOM 1251 C LEU A 87 5.719 3.451 -1.401 1.00 0.18 C ATOM 1252 O LEU A 87 5.801 4.036 -0.332 1.00 0.18 O ATOM 1253 CB LEU A 87 3.738 1.966 -1.001 1.00 0.20 C ATOM 1254 CG LEU A 87 3.102 0.577 -1.094 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.737 0.568 -0.433 1.00 0.24 C ATOM 1256 CD2 LEU A 87 2.988 0.153 -2.542 1.00 0.22 C ATOM 0 H LEU A 87 5.905 1.282 0.338 1.00 0.18 H new ATOM 0 HA LEU A 87 5.223 1.705 -2.513 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.691 2.305 0.034 1.00 0.20 H new ATOM 0 HB3 LEU A 87 3.145 2.664 -1.592 1.00 0.20 H new ATOM 0 HG LEU A 87 3.741 -0.132 -0.568 1.00 0.21 H new ATOM 0 HD11 LEU A 87 1.302 -0.428 -0.510 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.840 0.839 0.618 1.00 0.24 H new ATOM 0 HD13 LEU A 87 1.087 1.287 -0.931 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.534 -0.837 -2.597 1.00 0.22 H new ATOM 0 HD22 LEU A 87 2.367 0.867 -3.082 1.00 0.22 H new ATOM 0 HD23 LEU A 87 3.981 0.122 -2.991 1.00 0.22 H new ATOM 1268 N THR A 88 6.061 3.999 -2.543 1.00 0.21 N ATOM 1269 CA THR A 88 6.722 5.277 -2.613 1.00 0.21 C ATOM 1270 C THR A 88 5.736 6.372 -3.009 1.00 0.21 C ATOM 1271 O THR A 88 5.129 6.333 -4.083 1.00 0.29 O ATOM 1272 CB THR A 88 7.876 5.212 -3.624 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.533 3.943 -3.513 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.883 6.324 -3.369 1.00 0.29 C ATOM 0 H THR A 88 5.887 3.569 -3.451 1.00 0.21 H new ATOM 0 HA THR A 88 7.123 5.517 -1.628 1.00 0.21 H new ATOM 0 HB THR A 88 7.467 5.337 -4.627 1.00 0.25 H new ATOM 0 HG1 THR A 88 8.038 3.272 -4.029 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.691 6.257 -4.098 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.389 7.291 -3.463 1.00 0.29 H new ATOM 0 HG23 THR A 88 9.292 6.221 -2.364 1.00 0.29 H new ATOM 1282 N TYR A 89 5.582 7.332 -2.116 1.00 0.24 N ATOM 1283 CA TYR A 89 4.661 8.440 -2.285 1.00 0.27 C ATOM 1284 C TYR A 89 5.339 9.552 -3.071 1.00 0.27 C ATOM 1285 O TYR A 89 5.994 10.421 -2.492 1.00 0.30 O ATOM 1286 CB TYR A 89 4.232 8.952 -0.904 1.00 0.37 C ATOM 1287 CG TYR A 89 3.094 9.944 -0.923 1.00 0.45 C ATOM 1288 CD1 TYR A 89 1.785 9.511 -0.997 1.00 0.68 C ATOM 1289 CD2 TYR A 89 3.327 11.302 -0.844 1.00 1.00 C ATOM 1290 CE1 TYR A 89 0.733 10.400 -0.995 1.00 0.69 C ATOM 1291 CE2 TYR A 89 2.280 12.199 -0.846 1.00 1.11 C ATOM 1292 CZ TYR A 89 0.985 11.744 -0.920 1.00 0.68 C ATOM 1293 OH TYR A 89 -0.062 12.637 -0.909 1.00 0.80 O ATOM 0 H TYR A 89 6.102 7.364 -1.239 1.00 0.24 H new ATOM 0 HA TYR A 89 3.780 8.109 -2.835 1.00 0.27 H new ATOM 0 HB2 TYR A 89 3.942 8.099 -0.290 1.00 0.37 H new ATOM 0 HB3 TYR A 89 5.092 9.416 -0.421 1.00 0.37 H new ATOM 0 HD1 TYR A 89 1.582 8.452 -1.058 1.00 0.68 H new ATOM 0 HD2 TYR A 89 4.342 11.666 -0.780 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -0.284 10.040 -1.052 1.00 0.69 H new ATOM 0 HE2 TYR A 89 2.477 13.259 -0.789 1.00 1.11 H new ATOM 0 HH TYR A 89 -0.232 12.953 -1.821 1.00 0.80 H new ATOM 1303 N MET A 90 5.192 9.520 -4.388 1.00 0.29 N ATOM 1304 CA MET A 90 5.865 10.486 -5.249 1.00 0.34 C ATOM 1305 C MET A 90 4.895 11.076 -6.237 1.00 0.38 C ATOM 1306 O MET A 90 3.803 10.551 -6.433 1.00 0.47 O ATOM 1307 CB MET A 90 6.977 9.850 -6.079 1.00 0.37 C ATOM 1308 CG MET A 90 7.634 8.639 -5.459 1.00 0.36 C ATOM 1309 SD MET A 90 8.721 7.802 -6.627 1.00 0.65 S ATOM 1310 CE MET A 90 7.579 7.528 -7.981 1.00 0.54 C ATOM 0 H MET A 90 4.616 8.839 -4.883 1.00 0.29 H new ATOM 0 HA MET A 90 6.279 11.240 -4.580 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.567 9.564 -7.048 1.00 0.37 H new ATOM 0 HB3 MET A 90 7.743 10.602 -6.267 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.206 8.944 -4.583 1.00 0.36 H new ATOM 0 HG3 MET A 90 6.867 7.945 -5.114 1.00 0.36 H new ATOM 0 HE1 MET A 90 7.993 6.783 -8.661 1.00 0.54 H new ATOM 0 HE2 MET A 90 6.627 7.171 -7.588 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.422 8.463 -8.519 1.00 0.54 H new ATOM 1320 N ARG A 91 5.309 12.169 -6.855 1.00 0.40 N ATOM 1321 CA ARG A 91 4.657 12.650 -8.058 1.00 0.49 C ATOM 1322 C ARG A 91 4.695 11.540 -9.106 1.00 0.58 C ATOM 1323 O ARG A 91 5.764 11.177 -9.575 1.00 0.65 O ATOM 1324 CB ARG A 91 5.382 13.893 -8.588 1.00 0.55 C ATOM 1325 CG ARG A 91 5.001 15.192 -7.904 1.00 0.67 C ATOM 1326 CD ARG A 91 5.713 16.369 -8.552 1.00 0.79 C ATOM 1327 NE ARG A 91 5.704 17.558 -7.705 1.00 1.37 N ATOM 1328 CZ ARG A 91 6.565 18.570 -7.834 1.00 1.71 C ATOM 1329 NH1 ARG A 91 7.432 18.591 -8.841 1.00 1.74 N ATOM 1330 NH2 ARG A 91 6.540 19.574 -6.972 1.00 2.59 N ATOM 0 H ARG A 91 6.094 12.740 -6.542 1.00 0.40 H new ATOM 0 HA ARG A 91 3.624 12.920 -7.837 1.00 0.49 H new ATOM 0 HB2 ARG A 91 6.456 13.743 -8.480 1.00 0.55 H new ATOM 0 HB3 ARG A 91 5.179 13.987 -9.655 1.00 0.55 H new ATOM 0 HG2 ARG A 91 3.922 15.336 -7.962 1.00 0.67 H new ATOM 0 HG3 ARG A 91 5.260 15.141 -6.846 1.00 0.67 H new ATOM 0 HD2 ARG A 91 6.744 16.091 -8.772 1.00 0.79 H new ATOM 0 HD3 ARG A 91 5.235 16.600 -9.504 1.00 0.79 H new ATOM 0 HE ARG A 91 4.998 17.619 -6.971 1.00 1.37 H new ATOM 0 HH11 ARG A 91 7.442 17.831 -9.521 1.00 1.74 H new ATOM 0 HH12 ARG A 91 8.087 19.367 -8.934 1.00 1.74 H new ATOM 0 HH21 ARG A 91 5.863 19.574 -6.209 1.00 2.59 H new ATOM 0 HH22 ARG A 91 7.198 20.347 -7.071 1.00 2.59 H new ATOM 1344 N PRO A 92 3.530 10.973 -9.462 1.00 0.67 N ATOM 1345 CA PRO A 92 3.441 9.797 -10.343 1.00 0.81 C ATOM 1346 C PRO A 92 4.203 9.934 -11.664 1.00 0.91 C ATOM 1347 O PRO A 92 4.597 8.931 -12.256 1.00 1.04 O ATOM 1348 CB PRO A 92 1.934 9.644 -10.616 1.00 0.92 C ATOM 1349 CG PRO A 92 1.288 10.876 -10.073 1.00 0.88 C ATOM 1350 CD PRO A 92 2.202 11.406 -9.009 1.00 0.72 C ATOM 0 HA PRO A 92 3.901 8.935 -9.860 1.00 0.81 H new ATOM 0 HB2 PRO A 92 1.740 9.540 -11.684 1.00 0.92 H new ATOM 0 HB3 PRO A 92 1.539 8.751 -10.132 1.00 0.92 H new ATOM 0 HG2 PRO A 92 1.140 11.615 -10.860 1.00 0.88 H new ATOM 0 HG3 PRO A 92 0.305 10.648 -9.661 1.00 0.88 H new ATOM 0 HD2 PRO A 92 2.138 12.491 -8.927 1.00 0.72 H new ATOM 0 HD3 PRO A 92 1.958 10.998 -8.028 1.00 0.72 H new ATOM 1358 N TRP A 93 4.414 11.162 -12.116 1.00 0.90 N ATOM 1359 CA TRP A 93 5.098 11.401 -13.382 1.00 1.03 C ATOM 1360 C TRP A 93 6.587 11.700 -13.179 1.00 1.03 C ATOM 1361 O TRP A 93 7.303 11.981 -14.139 1.00 1.17 O ATOM 1362 CB TRP A 93 4.424 12.553 -14.140 1.00 1.08 C ATOM 1363 CG TRP A 93 4.371 13.838 -13.366 1.00 0.98 C ATOM 1364 CD1 TRP A 93 5.275 14.859 -13.411 1.00 1.01 C ATOM 1365 CD2 TRP A 93 3.356 14.243 -12.439 1.00 0.93 C ATOM 1366 NE1 TRP A 93 4.893 15.864 -12.559 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.719 15.511 -11.954 1.00 0.94 C ATOM 1368 CE3 TRP A 93 2.179 13.653 -11.969 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 2.946 16.201 -11.024 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 1.413 14.339 -11.045 1.00 0.96 C ATOM 1371 CH2 TRP A 93 1.801 15.602 -10.581 1.00 0.99 C ATOM 0 H TRP A 93 4.122 12.008 -11.627 1.00 0.90 H new ATOM 0 HA TRP A 93 5.024 10.488 -13.973 1.00 1.03 H new ATOM 0 HB2 TRP A 93 4.960 12.724 -15.074 1.00 1.08 H new ATOM 0 HB3 TRP A 93 3.409 12.257 -14.405 1.00 1.08 H new ATOM 0 HD1 TRP A 93 6.162 14.874 -14.027 1.00 1.01 H new ATOM 0 HE1 TRP A 93 5.402 16.734 -12.402 1.00 0.98 H new ATOM 0 HE3 TRP A 93 1.874 12.679 -12.321 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 3.241 17.176 -10.665 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 0.501 13.894 -10.675 1.00 0.96 H new ATOM 0 HH2 TRP A 93 1.182 16.113 -9.858 1.00 0.99 H new ATOM 1382 N THR A 94 7.051 11.646 -11.933 1.00 0.91 N ATOM 1383 CA THR A 94 8.459 11.883 -11.625 1.00 0.95 C ATOM 1384 C THR A 94 8.759 11.613 -10.145 1.00 0.86 C ATOM 1385 O THR A 94 9.454 10.650 -9.820 1.00 1.07 O ATOM 1386 CB THR A 94 8.911 13.320 -12.016 1.00 0.98 C ATOM 1387 OG1 THR A 94 10.241 13.569 -11.552 1.00 1.09 O ATOM 1388 CG2 THR A 94 7.974 14.386 -11.466 1.00 0.85 C ATOM 0 H THR A 94 6.472 11.440 -11.119 1.00 0.91 H new ATOM 0 HA THR A 94 9.033 11.180 -12.229 1.00 0.95 H new ATOM 0 HB THR A 94 8.883 13.377 -13.104 1.00 0.98 H new ATOM 0 HG1 THR A 94 10.512 14.476 -11.807 1.00 1.09 H new ATOM 0 HG21 THR A 94 8.330 15.372 -11.764 1.00 0.85 H new ATOM 0 HG22 THR A 94 6.971 14.227 -11.861 1.00 0.85 H new ATOM 0 HG23 THR A 94 7.950 14.323 -10.378 1.00 0.85 H new ATOM 1396 N GLY A 95 8.220 12.445 -9.258 1.00 0.64 N ATOM 1397 CA GLY A 95 8.478 12.289 -7.841 1.00 0.60 C ATOM 1398 C GLY A 95 9.834 12.814 -7.452 1.00 0.70 C ATOM 1399 O GLY A 95 10.825 12.088 -7.529 1.00 1.16 O ATOM 0 H GLY A 95 7.608 13.225 -9.498 1.00 0.64 H new ATOM 0 HA2 GLY A 95 7.710 12.814 -7.273 1.00 0.60 H new ATOM 0 HA3 GLY A 95 8.407 11.235 -7.574 1.00 0.60 H new ATOM 1403 N PRO A 96 9.904 14.104 -7.094 1.00 0.64 N ATOM 1404 CA PRO A 96 11.087 14.709 -6.488 1.00 0.90 C ATOM 1405 C PRO A 96 11.781 13.750 -5.524 1.00 0.98 C ATOM 1406 O PRO A 96 11.238 13.409 -4.471 1.00 1.17 O ATOM 1407 CB PRO A 96 10.474 15.891 -5.756 1.00 1.02 C ATOM 1408 CG PRO A 96 9.397 16.348 -6.673 1.00 1.20 C ATOM 1409 CD PRO A 96 8.824 15.095 -7.274 1.00 0.97 C ATOM 0 HA PRO A 96 11.864 14.980 -7.203 1.00 0.90 H new ATOM 0 HB2 PRO A 96 10.076 15.599 -4.784 1.00 1.02 H new ATOM 0 HB3 PRO A 96 11.208 16.676 -5.577 1.00 1.02 H new ATOM 0 HG2 PRO A 96 8.634 16.909 -6.134 1.00 1.20 H new ATOM 0 HG3 PRO A 96 9.792 17.008 -7.445 1.00 1.20 H new ATOM 0 HD2 PRO A 96 7.909 14.788 -6.767 1.00 0.97 H new ATOM 0 HD3 PRO A 96 8.575 15.232 -8.326 1.00 0.97 H new ATOM 1417 N SER A 97 12.985 13.332 -5.886 1.00 1.20 N ATOM 1418 CA SER A 97 13.653 12.221 -5.220 1.00 1.48 C ATOM 1419 C SER A 97 14.217 12.627 -3.858 1.00 1.31 C ATOM 1420 O SER A 97 14.980 11.884 -3.239 1.00 1.86 O ATOM 1421 CB SER A 97 14.765 11.686 -6.124 1.00 2.04 C ATOM 1422 OG SER A 97 15.217 10.411 -5.697 1.00 2.64 O ATOM 0 H SER A 97 13.524 13.749 -6.644 1.00 1.20 H new ATOM 0 HA SER A 97 12.917 11.438 -5.038 1.00 1.48 H new ATOM 0 HB2 SER A 97 14.401 11.619 -7.149 1.00 2.04 H new ATOM 0 HB3 SER A 97 15.600 12.386 -6.128 1.00 2.04 H new ATOM 0 HG SER A 97 15.238 10.382 -4.718 1.00 2.64 H new ATOM 1428 N HIS A 98 13.858 13.814 -3.399 1.00 1.20 N ATOM 1429 CA HIS A 98 14.234 14.251 -2.068 1.00 1.22 C ATOM 1430 C HIS A 98 13.013 14.774 -1.324 1.00 0.98 C ATOM 1431 O HIS A 98 13.127 15.265 -0.201 1.00 1.07 O ATOM 1432 CB HIS A 98 15.310 15.339 -2.139 1.00 1.58 C ATOM 1433 CG HIS A 98 16.580 14.895 -2.801 1.00 2.34 C ATOM 1434 ND1 HIS A 98 16.864 15.134 -4.129 1.00 3.02 N ATOM 1435 CD2 HIS A 98 17.643 14.214 -2.310 1.00 3.23 C ATOM 1436 CE1 HIS A 98 18.041 14.618 -4.426 1.00 3.95 C ATOM 1437 NE2 HIS A 98 18.536 14.056 -3.341 1.00 4.09 N ATOM 0 H HIS A 98 13.308 14.490 -3.928 1.00 1.20 H new ATOM 0 HA HIS A 98 14.642 13.396 -1.528 1.00 1.22 H new ATOM 0 HB2 HIS A 98 14.910 16.197 -2.680 1.00 1.58 H new ATOM 0 HB3 HIS A 98 15.538 15.678 -1.128 1.00 1.58 H new ATOM 0 HD2 HIS A 98 17.765 13.861 -1.297 1.00 3.23 H new ATOM 0 HE1 HIS A 98 18.518 14.650 -5.394 1.00 3.95 H new ATOM 0 HE2 HIS A 98 19.436 13.581 -3.278 1.00 4.09 H new ATOM 1446 N ASP A 99 11.839 14.666 -1.945 1.00 0.79 N ATOM 1447 CA ASP A 99 10.622 15.198 -1.345 1.00 0.79 C ATOM 1448 C ASP A 99 9.532 14.129 -1.283 1.00 0.77 C ATOM 1449 O ASP A 99 8.422 14.376 -0.809 1.00 1.35 O ATOM 1450 CB ASP A 99 10.145 16.411 -2.151 1.00 0.96 C ATOM 1451 CG ASP A 99 9.105 17.236 -1.412 1.00 1.18 C ATOM 1452 OD1 ASP A 99 9.287 17.491 -0.202 1.00 1.35 O ATOM 1453 OD2 ASP A 99 8.093 17.619 -2.035 1.00 1.67 O ATOM 0 H ASP A 99 11.708 14.220 -2.853 1.00 0.79 H new ATOM 0 HA ASP A 99 10.838 15.509 -0.323 1.00 0.79 H new ATOM 0 HB2 ASP A 99 11.001 17.043 -2.389 1.00 0.96 H new ATOM 0 HB3 ASP A 99 9.726 16.071 -3.098 1.00 0.96 H new ATOM 1458 N SER A 100 9.862 12.934 -1.750 1.00 0.51 N ATOM 1459 CA SER A 100 8.908 11.833 -1.786 1.00 0.45 C ATOM 1460 C SER A 100 8.921 11.050 -0.471 1.00 0.46 C ATOM 1461 O SER A 100 9.950 10.951 0.201 1.00 0.69 O ATOM 1462 CB SER A 100 9.235 10.901 -2.956 1.00 0.55 C ATOM 1463 OG SER A 100 9.262 11.616 -4.182 1.00 1.39 O ATOM 0 H SER A 100 10.787 12.700 -2.111 1.00 0.51 H new ATOM 0 HA SER A 100 7.910 12.248 -1.922 1.00 0.45 H new ATOM 0 HB2 SER A 100 10.201 10.424 -2.787 1.00 0.55 H new ATOM 0 HB3 SER A 100 8.492 10.105 -3.011 1.00 0.55 H new ATOM 0 HG SER A 100 10.027 12.229 -4.187 1.00 1.39 H new ATOM 1469 N GLU A 101 7.768 10.511 -0.107 1.00 0.35 N ATOM 1470 CA GLU A 101 7.644 9.677 1.085 1.00 0.40 C ATOM 1471 C GLU A 101 7.632 8.208 0.660 1.00 0.40 C ATOM 1472 O GLU A 101 7.544 7.919 -0.527 1.00 0.68 O ATOM 1473 CB GLU A 101 6.358 10.046 1.847 1.00 0.46 C ATOM 1474 CG GLU A 101 6.122 9.245 3.122 1.00 0.62 C ATOM 1475 CD GLU A 101 7.245 9.390 4.128 1.00 1.06 C ATOM 1476 OE1 GLU A 101 8.334 8.829 3.894 1.00 1.91 O ATOM 1477 OE2 GLU A 101 7.042 10.071 5.158 1.00 1.19 O ATOM 0 H GLU A 101 6.897 10.636 -0.622 1.00 0.35 H new ATOM 0 HA GLU A 101 8.489 9.844 1.753 1.00 0.40 H new ATOM 0 HB2 GLU A 101 6.393 11.105 2.101 1.00 0.46 H new ATOM 0 HB3 GLU A 101 5.505 9.906 1.183 1.00 0.46 H new ATOM 0 HG2 GLU A 101 5.187 9.568 3.580 1.00 0.62 H new ATOM 0 HG3 GLU A 101 6.004 8.192 2.866 1.00 0.62 H new ATOM 1484 N ARG A 102 7.742 7.284 1.603 1.00 0.22 N ATOM 1485 CA ARG A 102 7.647 5.873 1.278 1.00 0.18 C ATOM 1486 C ARG A 102 7.164 5.075 2.481 1.00 0.17 C ATOM 1487 O ARG A 102 7.541 5.332 3.623 1.00 0.20 O ATOM 1488 CB ARG A 102 8.999 5.336 0.780 1.00 0.23 C ATOM 1489 CG ARG A 102 8.891 4.032 -0.005 1.00 0.26 C ATOM 1490 CD ARG A 102 10.238 3.577 -0.549 1.00 0.36 C ATOM 1491 NE ARG A 102 10.098 2.692 -1.712 1.00 0.37 N ATOM 1492 CZ ARG A 102 11.063 1.889 -2.162 1.00 0.44 C ATOM 1493 NH1 ARG A 102 12.184 1.727 -1.470 1.00 0.62 N ATOM 1494 NH2 ARG A 102 10.894 1.221 -3.297 1.00 0.52 N ATOM 0 H ARG A 102 7.896 7.486 2.591 1.00 0.22 H new ATOM 0 HA ARG A 102 6.918 5.758 0.476 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.470 6.091 0.150 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.656 5.181 1.636 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.480 3.255 0.639 1.00 0.26 H new ATOM 0 HG3 ARG A 102 8.193 4.164 -0.831 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.828 4.450 -0.828 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.788 3.058 0.236 1.00 0.36 H new ATOM 0 HE ARG A 102 9.206 2.691 -2.207 1.00 0.37 H new ATOM 0 HH11 ARG A 102 12.313 2.219 -0.586 1.00 0.62 H new ATOM 0 HH12 ARG A 102 12.916 1.111 -1.822 1.00 0.62 H new ATOM 0 HH21 ARG A 102 10.027 1.322 -3.824 1.00 0.52 H new ATOM 0 HH22 ARG A 102 11.632 0.607 -3.642 1.00 0.52 H new ATOM 1508 N PHE A 103 6.308 4.119 2.188 1.00 0.15 N ATOM 1509 CA PHE A 103 5.725 3.234 3.168 1.00 0.17 C ATOM 1510 C PHE A 103 6.406 1.881 3.067 1.00 0.18 C ATOM 1511 O PHE A 103 6.959 1.546 2.018 1.00 0.21 O ATOM 1512 CB PHE A 103 4.221 3.118 2.881 1.00 0.18 C ATOM 1513 CG PHE A 103 3.573 1.868 3.371 1.00 0.35 C ATOM 1514 CD1 PHE A 103 3.539 0.739 2.572 1.00 0.51 C ATOM 1515 CD2 PHE A 103 2.997 1.824 4.621 1.00 0.55 C ATOM 1516 CE1 PHE A 103 2.945 -0.414 3.019 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.402 0.674 5.074 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.376 -0.445 4.271 1.00 0.86 C ATOM 0 H PHE A 103 5.992 3.933 1.236 1.00 0.15 H new ATOM 0 HA PHE A 103 5.863 3.617 4.179 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.715 3.971 3.333 1.00 0.18 H new ATOM 0 HB3 PHE A 103 4.067 3.190 1.804 1.00 0.18 H new ATOM 0 HD1 PHE A 103 3.984 0.766 1.588 1.00 0.51 H new ATOM 0 HD2 PHE A 103 3.014 2.702 5.250 1.00 0.55 H new ATOM 0 HE1 PHE A 103 2.924 -1.293 2.391 1.00 0.75 H new ATOM 0 HE2 PHE A 103 1.955 0.646 6.057 1.00 0.78 H new ATOM 0 HZ PHE A 103 1.907 -1.351 4.626 1.00 0.86 H new ATOM 1528 N THR A 104 6.368 1.102 4.135 1.00 0.17 N ATOM 1529 CA THR A 104 7.003 -0.193 4.127 1.00 0.19 C ATOM 1530 C THR A 104 6.406 -1.071 5.201 1.00 0.17 C ATOM 1531 O THR A 104 6.738 -0.942 6.380 1.00 0.18 O ATOM 1532 CB THR A 104 8.527 -0.077 4.353 1.00 0.24 C ATOM 1533 OG1 THR A 104 9.135 0.649 3.273 1.00 0.31 O ATOM 1534 CG2 THR A 104 9.167 -1.454 4.468 1.00 0.26 C ATOM 0 H THR A 104 5.906 1.347 5.011 1.00 0.17 H new ATOM 0 HA THR A 104 6.832 -0.638 3.147 1.00 0.19 H new ATOM 0 HB THR A 104 8.689 0.461 5.287 1.00 0.24 H new ATOM 0 HG1 THR A 104 8.488 0.756 2.545 1.00 0.31 H new ATOM 0 HG21 THR A 104 10.240 -1.344 4.627 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.728 -1.990 5.310 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.991 -2.015 3.550 1.00 0.26 H new ATOM 1542 N VAL A 105 5.523 -1.965 4.801 1.00 0.17 N ATOM 1543 CA VAL A 105 5.062 -2.970 5.715 1.00 0.17 C ATOM 1544 C VAL A 105 5.712 -4.302 5.383 1.00 0.21 C ATOM 1545 O VAL A 105 5.824 -4.685 4.214 1.00 0.25 O ATOM 1546 CB VAL A 105 3.530 -3.101 5.713 1.00 0.20 C ATOM 1547 CG1 VAL A 105 3.011 -3.667 4.405 1.00 0.79 C ATOM 1548 CG2 VAL A 105 3.077 -3.943 6.884 1.00 0.88 C ATOM 0 H VAL A 105 5.121 -2.010 3.865 1.00 0.17 H new ATOM 0 HA VAL A 105 5.352 -2.663 6.720 1.00 0.17 H new ATOM 0 HB VAL A 105 3.110 -2.100 5.815 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.924 -3.743 4.447 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.298 -3.009 3.585 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.438 -4.657 4.242 1.00 0.79 H new ATOM 0 HG21 VAL A 105 1.990 -4.029 6.872 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.520 -4.936 6.811 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.393 -3.472 7.815 1.00 0.88 H new ATOM 1558 N TYR A 106 6.180 -4.978 6.408 1.00 0.24 N ATOM 1559 CA TYR A 106 6.733 -6.301 6.250 1.00 0.28 C ATOM 1560 C TYR A 106 5.728 -7.304 6.748 1.00 0.27 C ATOM 1561 O TYR A 106 5.398 -7.339 7.931 1.00 0.36 O ATOM 1562 CB TYR A 106 8.026 -6.476 7.026 1.00 0.38 C ATOM 1563 CG TYR A 106 9.169 -5.596 6.574 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.877 -5.888 5.417 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.527 -4.463 7.298 1.00 0.49 C ATOM 1566 CE1 TYR A 106 10.909 -5.078 4.991 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.561 -3.648 6.878 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.294 -3.996 5.767 1.00 0.58 C ATOM 1569 OH TYR A 106 12.277 -3.147 5.298 1.00 0.70 O ATOM 0 H TYR A 106 6.188 -4.629 7.366 1.00 0.24 H new ATOM 0 HA TYR A 106 6.955 -6.451 5.193 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.829 -6.277 8.079 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.338 -7.518 6.951 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.616 -6.763 4.841 1.00 0.48 H new ATOM 0 HD2 TYR A 106 8.989 -4.217 8.201 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.414 -5.285 4.059 1.00 0.56 H new ATOM 0 HE2 TYR A 106 10.792 -2.742 7.419 1.00 0.57 H new ATOM 0 HH TYR A 106 12.436 -2.436 5.954 1.00 0.70 H new ATOM 1579 N LEU A 107 5.223 -8.098 5.846 1.00 0.26 N ATOM 1580 CA LEU A 107 4.202 -9.050 6.181 1.00 0.29 C ATOM 1581 C LEU A 107 4.487 -10.363 5.500 1.00 0.31 C ATOM 1582 O LEU A 107 5.301 -10.421 4.593 1.00 0.45 O ATOM 1583 CB LEU A 107 2.851 -8.511 5.745 1.00 0.39 C ATOM 1584 CG LEU A 107 2.410 -7.238 6.443 1.00 1.33 C ATOM 1585 CD1 LEU A 107 1.416 -6.516 5.573 1.00 2.12 C ATOM 1586 CD2 LEU A 107 1.808 -7.541 7.805 1.00 2.02 C ATOM 0 H LEU A 107 5.505 -8.104 4.866 1.00 0.26 H new ATOM 0 HA LEU A 107 4.190 -9.212 7.259 1.00 0.29 H new ATOM 0 HB2 LEU A 107 2.880 -8.327 4.671 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.098 -9.280 5.916 1.00 0.39 H new ATOM 0 HG LEU A 107 3.281 -6.603 6.604 1.00 1.33 H new ATOM 0 HD11 LEU A 107 1.095 -5.600 6.070 1.00 2.12 H new ATOM 0 HD12 LEU A 107 1.881 -6.268 4.619 1.00 2.12 H new ATOM 0 HD13 LEU A 107 0.551 -7.157 5.400 1.00 2.12 H new ATOM 0 HD21 LEU A 107 1.501 -6.610 8.282 1.00 2.02 H new ATOM 0 HD22 LEU A 107 0.941 -8.190 7.683 1.00 2.02 H new ATOM 0 HD23 LEU A 107 2.550 -8.040 8.428 1.00 2.02 H new ATOM 1598 N LYS A 108 3.831 -11.412 5.932 1.00 0.25 N ATOM 1599 CA LYS A 108 4.029 -12.706 5.316 1.00 0.26 C ATOM 1600 C LYS A 108 2.727 -13.217 4.743 1.00 0.24 C ATOM 1601 O LYS A 108 1.757 -13.376 5.474 1.00 0.29 O ATOM 1602 CB LYS A 108 4.565 -13.698 6.331 1.00 0.32 C ATOM 1603 CG LYS A 108 5.156 -14.928 5.684 1.00 0.45 C ATOM 1604 CD LYS A 108 5.647 -15.909 6.730 1.00 0.76 C ATOM 1605 CE LYS A 108 6.417 -17.056 6.108 1.00 1.34 C ATOM 1606 NZ LYS A 108 6.973 -17.958 7.145 1.00 1.89 N ATOM 0 H LYS A 108 3.161 -11.399 6.701 1.00 0.25 H new ATOM 0 HA LYS A 108 4.755 -12.596 4.510 1.00 0.26 H new ATOM 0 HB2 LYS A 108 5.326 -13.212 6.942 1.00 0.32 H new ATOM 0 HB3 LYS A 108 3.760 -13.996 7.002 1.00 0.32 H new ATOM 0 HG2 LYS A 108 4.407 -15.407 5.054 1.00 0.45 H new ATOM 0 HG3 LYS A 108 5.982 -14.640 5.034 1.00 0.45 H new ATOM 0 HD2 LYS A 108 6.284 -15.389 7.445 1.00 0.76 H new ATOM 0 HD3 LYS A 108 4.797 -16.302 7.287 1.00 0.76 H new ATOM 0 HE2 LYS A 108 5.760 -17.621 5.446 1.00 1.34 H new ATOM 0 HE3 LYS A 108 7.227 -16.662 5.494 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 7.494 -18.733 6.688 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 7.618 -17.423 7.761 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 6.197 -18.352 7.715 1.00 1.89 H new ATOM 1620 N ALA A 109 2.731 -13.535 3.459 1.00 0.24 N ATOM 1621 CA ALA A 109 1.513 -13.881 2.750 1.00 0.28 C ATOM 1622 C ALA A 109 1.415 -15.384 2.588 1.00 0.34 C ATOM 1623 O ALA A 109 2.344 -16.029 2.114 1.00 0.53 O ATOM 1624 CB ALA A 109 1.485 -13.197 1.392 1.00 0.37 C ATOM 0 H ALA A 109 3.573 -13.560 2.883 1.00 0.24 H new ATOM 0 HA ALA A 109 0.656 -13.537 3.329 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.567 -13.464 0.869 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.524 -12.116 1.528 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.344 -13.520 0.804 1.00 0.37 H new ATOM 1630 N ASN A 110 0.285 -15.933 3.006 1.00 0.41 N ATOM 1631 CA ASN A 110 0.084 -17.380 3.029 1.00 0.54 C ATOM 1632 C ASN A 110 -1.273 -17.706 3.629 1.00 0.95 C ATOM 1633 O ASN A 110 -1.859 -18.744 3.263 1.00 1.35 O ATOM 1634 CB ASN A 110 1.198 -18.128 3.803 1.00 0.56 C ATOM 1635 CG ASN A 110 1.391 -17.702 5.258 1.00 0.80 C ATOM 1636 OD1 ASN A 110 1.700 -18.530 6.117 1.00 1.58 O ATOM 1637 ND2 ASN A 110 1.265 -16.415 5.543 1.00 0.56 N ATOM 1638 OXT ASN A 110 -1.773 -16.894 4.427 1.00 1.78 O ATOM 0 H ASN A 110 -0.516 -15.395 3.338 1.00 0.41 H new ATOM 0 HA ASN A 110 0.127 -17.724 1.996 1.00 0.54 H new ATOM 0 HB2 ASN A 110 0.977 -19.195 3.782 1.00 0.56 H new ATOM 0 HB3 ASN A 110 2.141 -17.987 3.274 1.00 0.56 H new ATOM 0 HD21 ASN A 110 1.425 -16.085 6.495 1.00 0.56 H new ATOM 0 HD22 ASN A 110 1.008 -15.753 4.811 1.00 0.56 H new