USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 769 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 Single : A 1 MET CE :methyl -114:sc= -0.0125 (180deg=-0.149) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0289 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -159:sc= -0.0122 (180deg=-0.66) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0441 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 75:sc= 0.487 USER MOD Single : A 15 MET CE :methyl -158:sc= 0 (180deg=-0.761) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 19 ASN : amide:sc= -14.5! C(o=-14!,f=-17!) USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= -0.0784 (180deg=-0.514) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.611 USER MOD Single : A 28 ASN : amide:sc= -0.0329 K(o=-0.033,f=-1.4!) USER MOD Single : A 31 TYR OH : rot 132:sc= -5.15! USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 35 MET CE :methyl -108:sc= -0.103 (180deg=-1.97!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.0254 K(o=-0.025,f=-1.9!) USER MOD Single : A 51 SER OG : rot 84:sc= 0.0565 USER MOD Single : A 54 HIS : no HD1:sc= -0.933 X(o=-0.93,f=-1.4) USER MOD Single : A 55 ASN : amide:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 57 SER OG : rot -59:sc= 0.0528 USER MOD Single : A 59 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.3) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -115:sc= -1.73 (180deg=-4.22!) USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= -0.106 (180deg=-0.833) USER MOD Single : A 71 LYS NZ :NH3+ -120:sc= 0 (180deg=-2.06!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 17:sc= 0.981 USER MOD Single : A 77 TYR OH : rot 30:sc= -0.503 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00158 USER MOD Single : A 84 SER OG : rot 180:sc= 0.032 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc=-0.000594 X(o=-0.00059,f=0) USER MOD Single : A 87 MET CE :methyl 169:sc= 0 (180deg=-0.124) USER MOD Single : A 90 ASN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.811 17.339 6.732 1.00 2.94 N ATOM 2 CA MET A 1 -22.924 17.641 5.573 1.00 2.23 C ATOM 3 C MET A 1 -21.760 16.651 5.539 1.00 1.94 C ATOM 4 O MET A 1 -21.239 16.257 6.564 1.00 2.16 O ATOM 5 CB MET A 1 -22.369 19.061 5.707 1.00 2.94 C ATOM 6 CG MET A 1 -21.669 19.456 4.405 1.00 3.46 C ATOM 7 SD MET A 1 -20.913 21.091 4.590 1.00 4.49 S ATOM 8 CE MET A 1 -22.413 22.081 4.365 1.00 4.81 C ATOM 0 H1 MET A 1 -24.056 18.223 7.222 1.00 2.94 H new ATOM 0 H2 MET A 1 -24.680 16.879 6.393 1.00 2.94 H new ATOM 0 H3 MET A 1 -23.317 16.704 7.391 1.00 2.94 H new ATOM 0 HA MET A 1 -23.502 17.556 4.653 1.00 2.23 H new ATOM 0 HB2 MET A 1 -23.176 19.760 5.926 1.00 2.94 H new ATOM 0 HB3 MET A 1 -21.668 19.113 6.540 1.00 2.94 H new ATOM 0 HG2 MET A 1 -20.907 18.719 4.153 1.00 3.46 H new ATOM 0 HG3 MET A 1 -22.386 19.467 3.584 1.00 3.46 H new ATOM 0 HE1 MET A 1 -22.332 22.661 3.445 1.00 4.81 H new ATOM 0 HE2 MET A 1 -23.278 21.421 4.303 1.00 4.81 H new ATOM 0 HE3 MET A 1 -22.533 22.758 5.211 1.00 4.81 H new ATOM 20 N LEU A 2 -21.346 16.251 4.362 1.00 1.58 N ATOM 21 CA LEU A 2 -20.209 15.287 4.232 1.00 1.33 C ATOM 22 C LEU A 2 -19.117 15.922 3.368 1.00 1.26 C ATOM 23 O LEU A 2 -19.395 16.697 2.475 1.00 1.38 O ATOM 24 CB LEU A 2 -20.700 14.010 3.546 1.00 1.20 C ATOM 25 CG LEU A 2 -21.825 13.362 4.363 1.00 1.42 C ATOM 26 CD1 LEU A 2 -22.390 12.175 3.579 1.00 1.51 C ATOM 27 CD2 LEU A 2 -21.288 12.871 5.715 1.00 1.71 C ATOM 0 H LEU A 2 -21.751 16.554 3.477 1.00 1.58 H new ATOM 0 HA LEU A 2 -19.817 15.047 5.220 1.00 1.33 H new ATOM 0 HB2 LEU A 2 -21.058 14.243 2.543 1.00 1.20 H new ATOM 0 HB3 LEU A 2 -19.873 13.309 3.434 1.00 1.20 H new ATOM 0 HG LEU A 2 -22.607 14.099 4.543 1.00 1.42 H new ATOM 0 HD11 LEU A 2 -23.191 11.708 4.153 1.00 1.51 H new ATOM 0 HD12 LEU A 2 -22.783 12.524 2.624 1.00 1.51 H new ATOM 0 HD13 LEU A 2 -21.599 11.447 3.401 1.00 1.51 H new ATOM 0 HD21 LEU A 2 -22.098 12.414 6.284 1.00 1.71 H new ATOM 0 HD22 LEU A 2 -20.501 12.136 5.548 1.00 1.71 H new ATOM 0 HD23 LEU A 2 -20.884 13.715 6.274 1.00 1.71 H new ATOM 39 N VAL A 3 -17.877 15.595 3.624 1.00 1.21 N ATOM 40 CA VAL A 3 -16.754 16.166 2.820 1.00 1.22 C ATOM 41 C VAL A 3 -15.765 15.051 2.481 1.00 0.99 C ATOM 42 O VAL A 3 -15.492 14.187 3.290 1.00 0.93 O ATOM 43 CB VAL A 3 -16.036 17.246 3.630 1.00 1.52 C ATOM 44 CG1 VAL A 3 -16.985 18.418 3.878 1.00 1.79 C ATOM 45 CG2 VAL A 3 -15.587 16.660 4.971 1.00 1.68 C ATOM 0 H VAL A 3 -17.591 14.951 4.362 1.00 1.21 H new ATOM 0 HA VAL A 3 -17.149 16.605 1.904 1.00 1.22 H new ATOM 0 HB VAL A 3 -15.166 17.598 3.075 1.00 1.52 H new ATOM 0 HG11 VAL A 3 -16.471 19.186 4.455 1.00 1.79 H new ATOM 0 HG12 VAL A 3 -17.305 18.835 2.923 1.00 1.79 H new ATOM 0 HG13 VAL A 3 -17.856 18.070 4.432 1.00 1.79 H new ATOM 0 HG21 VAL A 3 -15.075 17.428 5.550 1.00 1.68 H new ATOM 0 HG22 VAL A 3 -16.458 16.308 5.524 1.00 1.68 H new ATOM 0 HG23 VAL A 3 -14.908 15.826 4.794 1.00 1.68 H new ATOM 55 N LYS A 4 -15.225 15.059 1.294 1.00 0.99 N ATOM 56 CA LYS A 4 -14.256 13.989 0.922 1.00 0.86 C ATOM 57 C LYS A 4 -12.932 14.249 1.652 1.00 0.78 C ATOM 58 O LYS A 4 -12.730 15.324 2.180 1.00 0.97 O ATOM 59 CB LYS A 4 -14.029 13.995 -0.592 1.00 1.03 C ATOM 60 CG LYS A 4 -15.378 14.000 -1.320 1.00 1.55 C ATOM 61 CD LYS A 4 -16.162 12.727 -0.980 1.00 2.26 C ATOM 62 CE LYS A 4 -17.262 12.505 -2.021 1.00 2.96 C ATOM 63 NZ LYS A 4 -17.932 13.802 -2.321 1.00 3.69 N ATOM 0 H LYS A 4 -15.410 15.754 0.570 1.00 0.99 H new ATOM 0 HA LYS A 4 -14.651 13.015 1.210 1.00 0.86 H new ATOM 0 HB2 LYS A 4 -13.448 14.872 -0.878 1.00 1.03 H new ATOM 0 HB3 LYS A 4 -13.450 13.119 -0.886 1.00 1.03 H new ATOM 0 HG2 LYS A 4 -15.953 14.879 -1.031 1.00 1.55 H new ATOM 0 HG3 LYS A 4 -15.219 14.063 -2.397 1.00 1.55 H new ATOM 0 HD2 LYS A 4 -15.490 11.869 -0.959 1.00 2.26 H new ATOM 0 HD3 LYS A 4 -16.601 12.813 0.014 1.00 2.26 H new ATOM 0 HE2 LYS A 4 -16.836 12.085 -2.932 1.00 2.96 H new ATOM 0 HE3 LYS A 4 -17.990 11.785 -1.648 1.00 2.96 H new ATOM 0 HZ1 LYS A 4 -18.872 13.621 -2.728 1.00 3.69 H new ATOM 0 HZ2 LYS A 4 -18.035 14.351 -1.444 1.00 3.69 H new ATOM 0 HZ3 LYS A 4 -17.358 14.340 -3.001 1.00 3.69 H new ATOM 77 N PRO A 5 -12.031 13.292 1.709 1.00 0.59 N ATOM 78 CA PRO A 5 -10.728 13.466 2.415 1.00 0.58 C ATOM 79 C PRO A 5 -9.669 14.146 1.524 1.00 0.56 C ATOM 80 O PRO A 5 -9.234 13.567 0.548 1.00 0.67 O ATOM 81 CB PRO A 5 -10.290 12.019 2.742 1.00 0.62 C ATOM 82 CG PRO A 5 -11.340 11.113 2.160 1.00 0.73 C ATOM 83 CD PRO A 5 -12.106 11.943 1.131 1.00 0.58 C ATOM 0 HA PRO A 5 -10.829 14.105 3.292 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -9.311 11.804 2.313 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -10.206 11.873 3.819 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -10.884 10.240 1.693 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -12.009 10.745 2.938 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -11.645 11.896 0.144 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -13.136 11.604 1.018 1.00 0.58 H new ATOM 91 N PRO A 6 -9.228 15.340 1.847 1.00 0.55 N ATOM 92 CA PRO A 6 -8.181 16.030 1.039 1.00 0.57 C ATOM 93 C PRO A 6 -6.991 15.105 0.750 1.00 0.51 C ATOM 94 O PRO A 6 -6.101 15.438 -0.006 1.00 0.70 O ATOM 95 CB PRO A 6 -7.753 17.207 1.926 1.00 0.67 C ATOM 96 CG PRO A 6 -8.946 17.502 2.776 1.00 0.84 C ATOM 97 CD PRO A 6 -9.663 16.165 2.989 1.00 0.68 C ATOM 0 HA PRO A 6 -8.551 16.343 0.062 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.888 16.948 2.536 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -7.472 18.072 1.326 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -8.646 17.939 3.729 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -9.603 18.222 2.288 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.384 15.710 3.939 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.746 16.290 3.001 1.00 0.68 H new ATOM 105 N TYR A 7 -6.969 13.947 1.358 1.00 0.42 N ATOM 106 CA TYR A 7 -5.841 13.004 1.131 1.00 0.36 C ATOM 107 C TYR A 7 -5.909 12.476 -0.302 1.00 0.34 C ATOM 108 O TYR A 7 -6.966 12.160 -0.811 1.00 0.36 O ATOM 109 CB TYR A 7 -5.957 11.828 2.111 1.00 0.34 C ATOM 110 CG TYR A 7 -6.219 12.345 3.513 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.427 13.366 4.062 1.00 1.10 C ATOM 112 CD2 TYR A 7 -7.281 11.816 4.261 1.00 1.12 C ATOM 113 CE1 TYR A 7 -5.696 13.846 5.350 1.00 1.11 C ATOM 114 CE2 TYR A 7 -7.551 12.300 5.544 1.00 1.15 C ATOM 115 CZ TYR A 7 -6.759 13.316 6.090 1.00 0.47 C ATOM 116 OH TYR A 7 -7.026 13.796 7.356 1.00 0.54 O ATOM 0 H TYR A 7 -7.687 13.616 2.003 1.00 0.42 H new ATOM 0 HA TYR A 7 -4.894 13.519 1.289 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -6.765 11.165 1.802 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.039 11.240 2.097 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.610 13.781 3.491 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -7.893 11.031 3.843 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -5.082 14.627 5.773 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -8.371 11.890 6.114 1.00 1.15 H new ATOM 0 HH TYR A 7 -7.797 13.321 7.730 1.00 0.54 H new ATOM 126 N SER A 8 -4.785 12.368 -0.953 1.00 0.35 N ATOM 127 CA SER A 8 -4.781 11.852 -2.347 1.00 0.38 C ATOM 128 C SER A 8 -5.027 10.344 -2.313 1.00 0.32 C ATOM 129 O SER A 8 -4.923 9.714 -1.279 1.00 0.30 O ATOM 130 CB SER A 8 -3.428 12.143 -2.999 1.00 0.46 C ATOM 131 OG SER A 8 -3.457 11.708 -4.351 1.00 1.39 O ATOM 0 H SER A 8 -3.869 12.615 -0.579 1.00 0.35 H new ATOM 0 HA SER A 8 -5.564 12.340 -2.927 1.00 0.38 H new ATOM 0 HB2 SER A 8 -3.211 13.210 -2.953 1.00 0.46 H new ATOM 0 HB3 SER A 8 -2.632 11.632 -2.457 1.00 0.46 H new ATOM 0 HG SER A 8 -2.592 11.894 -4.773 1.00 1.39 H new ATOM 137 N TYR A 9 -5.362 9.758 -3.429 1.00 0.34 N ATOM 138 CA TYR A 9 -5.619 8.293 -3.443 1.00 0.34 C ATOM 139 C TYR A 9 -4.354 7.562 -2.991 1.00 0.35 C ATOM 140 O TYR A 9 -4.414 6.589 -2.267 1.00 0.36 O ATOM 141 CB TYR A 9 -6.003 7.851 -4.860 1.00 0.39 C ATOM 142 CG TYR A 9 -7.425 8.278 -5.153 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.499 7.575 -4.593 1.00 1.21 C ATOM 144 CD2 TYR A 9 -7.669 9.380 -5.983 1.00 1.32 C ATOM 145 CE1 TYR A 9 -9.815 7.972 -4.863 1.00 1.23 C ATOM 146 CE2 TYR A 9 -8.985 9.776 -6.253 1.00 1.32 C ATOM 147 CZ TYR A 9 -10.057 9.074 -5.693 1.00 0.44 C ATOM 148 OH TYR A 9 -11.354 9.465 -5.958 1.00 0.50 O ATOM 0 H TYR A 9 -5.468 10.229 -4.328 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.439 8.054 -2.766 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.322 8.293 -5.587 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.910 6.769 -4.953 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.312 6.726 -3.952 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.842 9.924 -6.415 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -10.643 7.429 -4.431 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -9.172 10.625 -6.894 1.00 1.32 H new ATOM 0 HH TYR A 9 -11.346 10.246 -6.549 1.00 0.50 H new ATOM 158 N ILE A 10 -3.206 8.027 -3.405 1.00 0.38 N ATOM 159 CA ILE A 10 -1.942 7.360 -2.986 1.00 0.42 C ATOM 160 C ILE A 10 -1.764 7.529 -1.474 1.00 0.38 C ATOM 161 O ILE A 10 -1.341 6.621 -0.787 1.00 0.39 O ATOM 162 CB ILE A 10 -0.754 8.005 -3.709 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.909 7.863 -5.233 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.545 7.330 -3.263 1.00 0.51 C ATOM 165 CD1 ILE A 10 -1.123 6.397 -5.632 1.00 0.96 C ATOM 0 H ILE A 10 -3.090 8.837 -4.013 1.00 0.38 H new ATOM 0 HA ILE A 10 -1.988 6.301 -3.239 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.724 9.065 -3.456 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -1.753 8.463 -5.573 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -0.020 8.252 -5.730 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.389 7.789 -3.778 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.667 7.451 -2.187 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.506 6.268 -3.507 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -1.229 6.326 -6.714 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.266 5.804 -5.312 1.00 0.96 H new ATOM 0 HD13 ILE A 10 -2.026 6.018 -5.153 1.00 0.96 H new ATOM 177 N ALA A 11 -2.081 8.683 -0.948 1.00 0.36 N ATOM 178 CA ALA A 11 -1.925 8.899 0.521 1.00 0.36 C ATOM 179 C ALA A 11 -2.917 8.015 1.278 1.00 0.32 C ATOM 180 O ALA A 11 -2.592 7.437 2.296 1.00 0.32 O ATOM 181 CB ALA A 11 -2.192 10.370 0.856 1.00 0.38 C ATOM 0 H ALA A 11 -2.440 9.483 -1.470 1.00 0.36 H new ATOM 0 HA ALA A 11 -0.909 8.639 0.817 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.078 10.525 1.929 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.482 11.000 0.320 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.207 10.633 0.558 1.00 0.38 H new ATOM 187 N LEU A 12 -4.121 7.893 0.788 1.00 0.32 N ATOM 188 CA LEU A 12 -5.113 7.030 1.488 1.00 0.31 C ATOM 189 C LEU A 12 -4.571 5.602 1.542 1.00 0.30 C ATOM 190 O LEU A 12 -4.630 4.945 2.562 1.00 0.32 O ATOM 191 CB LEU A 12 -6.444 7.059 0.737 1.00 0.33 C ATOM 192 CG LEU A 12 -7.099 8.437 0.896 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.312 8.523 -0.038 1.00 0.37 C ATOM 194 CD2 LEU A 12 -7.548 8.653 2.355 1.00 0.36 C ATOM 0 H LEU A 12 -4.458 8.350 -0.060 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.277 7.398 2.501 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.281 6.843 -0.319 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.107 6.284 1.122 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.376 9.211 0.638 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -8.784 9.500 0.068 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -7.987 8.387 -1.070 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.028 7.743 0.223 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.011 9.635 2.452 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.269 7.883 2.632 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -6.682 8.593 3.015 1.00 0.36 H new ATOM 206 N ILE A 13 -4.023 5.124 0.461 1.00 0.31 N ATOM 207 CA ILE A 13 -3.456 3.750 0.472 1.00 0.32 C ATOM 208 C ILE A 13 -2.356 3.699 1.530 1.00 0.29 C ATOM 209 O ILE A 13 -2.229 2.747 2.273 1.00 0.30 O ATOM 210 CB ILE A 13 -2.850 3.427 -0.896 1.00 0.37 C ATOM 211 CG1 ILE A 13 -3.963 3.341 -1.945 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.110 2.089 -0.828 1.00 0.40 C ATOM 213 CD1 ILE A 13 -3.348 3.266 -3.347 1.00 0.49 C ATOM 0 H ILE A 13 -3.944 5.623 -0.425 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.239 3.025 0.694 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.150 4.215 -1.174 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -4.582 2.463 -1.761 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -4.615 4.211 -1.870 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -1.680 1.861 -1.803 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.314 2.151 -0.086 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -2.808 1.301 -0.547 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.143 3.205 -4.090 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -2.748 4.158 -3.529 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -2.715 2.382 -3.420 1.00 0.49 H new ATOM 225 N THR A 14 -1.552 4.724 1.591 1.00 0.29 N ATOM 226 CA THR A 14 -0.443 4.757 2.582 1.00 0.31 C ATOM 227 C THR A 14 -1.003 4.805 4.007 1.00 0.32 C ATOM 228 O THR A 14 -0.480 4.178 4.908 1.00 0.34 O ATOM 229 CB THR A 14 0.413 6.000 2.333 1.00 0.35 C ATOM 230 OG1 THR A 14 0.948 5.948 1.017 1.00 0.37 O ATOM 231 CG2 THR A 14 1.558 6.052 3.347 1.00 0.39 C ATOM 0 H THR A 14 -1.617 5.546 0.991 1.00 0.29 H new ATOM 0 HA THR A 14 0.161 3.857 2.471 1.00 0.31 H new ATOM 0 HB THR A 14 -0.205 6.891 2.443 1.00 0.35 H new ATOM 0 HG1 THR A 14 0.244 6.159 0.369 1.00 0.37 H new ATOM 0 HG21 THR A 14 2.165 6.939 3.165 1.00 0.39 H new ATOM 0 HG22 THR A 14 1.149 6.093 4.356 1.00 0.39 H new ATOM 0 HG23 THR A 14 2.177 5.161 3.242 1.00 0.39 H new ATOM 239 N MET A 15 -2.048 5.556 4.225 1.00 0.33 N ATOM 240 CA MET A 15 -2.620 5.653 5.599 1.00 0.37 C ATOM 241 C MET A 15 -3.287 4.333 5.991 1.00 0.34 C ATOM 242 O MET A 15 -3.181 3.886 7.116 1.00 0.36 O ATOM 243 CB MET A 15 -3.667 6.768 5.635 1.00 0.44 C ATOM 244 CG MET A 15 -2.979 8.129 5.507 1.00 0.49 C ATOM 245 SD MET A 15 -4.231 9.437 5.553 1.00 0.67 S ATOM 246 CE MET A 15 -3.118 10.835 5.265 1.00 1.14 C ATOM 0 H MET A 15 -2.530 6.105 3.513 1.00 0.33 H new ATOM 0 HA MET A 15 -1.814 5.871 6.300 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.382 6.634 4.824 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.230 6.721 6.567 1.00 0.44 H new ATOM 0 HG2 MET A 15 -2.263 8.266 6.318 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.417 8.180 4.574 1.00 0.49 H new ATOM 0 HE1 MET A 15 -3.582 11.751 5.631 1.00 1.14 H new ATOM 0 HE2 MET A 15 -2.179 10.668 5.793 1.00 1.14 H new ATOM 0 HE3 MET A 15 -2.921 10.929 4.197 1.00 1.14 H new ATOM 256 N ALA A 16 -3.974 3.710 5.074 1.00 0.32 N ATOM 257 CA ALA A 16 -4.668 2.430 5.395 1.00 0.31 C ATOM 258 C ALA A 16 -3.668 1.418 5.954 1.00 0.29 C ATOM 259 O ALA A 16 -3.949 0.714 6.902 1.00 0.31 O ATOM 260 CB ALA A 16 -5.295 1.873 4.113 1.00 0.31 C ATOM 0 H ALA A 16 -4.085 4.033 4.113 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.441 2.612 6.142 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.806 0.936 4.335 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.012 2.592 3.716 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.514 1.694 3.374 1.00 0.31 H new ATOM 266 N ILE A 17 -2.512 1.335 5.368 1.00 0.27 N ATOM 267 CA ILE A 17 -1.498 0.360 5.854 1.00 0.28 C ATOM 268 C ILE A 17 -1.073 0.740 7.273 1.00 0.30 C ATOM 269 O ILE A 17 -0.879 -0.104 8.126 1.00 0.33 O ATOM 270 CB ILE A 17 -0.281 0.419 4.931 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.725 0.126 3.499 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.740 -0.636 5.363 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.411 0.461 2.531 1.00 0.32 C ATOM 0 H ILE A 17 -2.222 1.901 4.571 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.917 -0.646 5.857 1.00 0.28 H new ATOM 0 HB ILE A 17 0.171 1.409 4.986 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -1.002 -0.924 3.401 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.610 0.714 3.254 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.608 -0.594 4.705 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.053 -0.441 6.389 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.288 -1.626 5.304 1.00 0.33 H new ATOM 0 HD11 ILE A 17 0.093 0.251 1.510 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.667 1.517 2.622 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.284 -0.146 2.771 1.00 0.32 H new ATOM 285 N GLN A 18 -0.914 2.011 7.522 1.00 0.32 N ATOM 286 CA GLN A 18 -0.482 2.463 8.879 1.00 0.36 C ATOM 287 C GLN A 18 -1.568 2.170 9.918 1.00 0.36 C ATOM 288 O GLN A 18 -1.285 1.752 11.023 1.00 0.38 O ATOM 289 CB GLN A 18 -0.226 3.971 8.861 1.00 0.44 C ATOM 290 CG GLN A 18 1.004 4.275 8.008 1.00 0.51 C ATOM 291 CD GLN A 18 1.327 5.769 8.085 1.00 1.09 C ATOM 292 OE1 GLN A 18 0.471 6.636 7.619 1.00 1.76 O flip ATOM 293 NE2 GLN A 18 2.370 6.151 8.576 1.00 1.82 N flip ATOM 0 H GLN A 18 -1.064 2.759 6.845 1.00 0.32 H new ATOM 0 HA GLN A 18 0.428 1.924 9.143 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -1.096 4.492 8.461 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -0.075 4.336 9.877 1.00 0.44 H new ATOM 0 HG2 GLN A 18 1.855 3.690 8.358 1.00 0.51 H new ATOM 0 HG3 GLN A 18 0.822 3.985 6.973 1.00 0.51 H new ATOM 0 HE21 GLN A 18 3.040 5.474 8.941 1.00 1.82 H new ATOM 0 HE22 GLN A 18 2.576 7.149 8.624 1.00 1.82 H new ATOM 302 N ASN A 19 -2.807 2.405 9.582 1.00 0.37 N ATOM 303 CA ASN A 19 -3.910 2.159 10.557 1.00 0.42 C ATOM 304 C ASN A 19 -4.439 0.732 10.409 1.00 0.43 C ATOM 305 O ASN A 19 -5.433 0.368 11.004 1.00 0.58 O ATOM 306 CB ASN A 19 -5.040 3.156 10.299 1.00 0.51 C ATOM 307 CG ASN A 19 -5.453 3.084 8.831 1.00 0.84 C ATOM 308 OD1 ASN A 19 -5.903 2.058 8.362 1.00 1.67 O ATOM 309 ND2 ASN A 19 -5.312 4.140 8.077 1.00 1.28 N ATOM 0 H ASN A 19 -3.105 2.758 8.672 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.528 2.287 11.570 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.892 2.930 10.940 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -4.713 4.166 10.547 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -5.580 4.104 7.093 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -4.934 5.001 8.471 1.00 1.28 H new ATOM 316 N ALA A 20 -3.790 -0.080 9.621 1.00 0.39 N ATOM 317 CA ALA A 20 -4.269 -1.480 9.446 1.00 0.47 C ATOM 318 C ALA A 20 -3.824 -2.318 10.655 1.00 0.53 C ATOM 319 O ALA A 20 -2.640 -2.493 10.867 1.00 0.63 O ATOM 320 CB ALA A 20 -3.647 -2.073 8.179 1.00 0.49 C ATOM 0 H ALA A 20 -2.952 0.164 9.093 1.00 0.39 H new ATOM 0 HA ALA A 20 -5.356 -1.487 9.364 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.995 -3.097 8.048 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.941 -1.476 7.316 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.561 -2.068 8.270 1.00 0.49 H new ATOM 326 N PRO A 21 -4.733 -2.846 11.446 1.00 0.71 N ATOM 327 CA PRO A 21 -4.352 -3.676 12.623 1.00 0.87 C ATOM 328 C PRO A 21 -3.223 -4.646 12.268 1.00 0.80 C ATOM 329 O PRO A 21 -2.438 -5.044 13.104 1.00 1.04 O ATOM 330 CB PRO A 21 -5.644 -4.424 12.963 1.00 1.10 C ATOM 331 CG PRO A 21 -6.737 -3.497 12.538 1.00 1.29 C ATOM 332 CD PRO A 21 -6.200 -2.729 11.324 1.00 0.94 C ATOM 0 HA PRO A 21 -3.974 -3.086 13.458 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -5.703 -5.375 12.434 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -5.705 -4.647 14.028 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -7.639 -4.052 12.280 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -7.003 -2.813 13.344 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -6.558 -3.160 10.389 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -6.520 -1.687 11.338 1.00 0.94 H new ATOM 340 N GLU A 22 -3.141 -5.007 11.015 1.00 0.72 N ATOM 341 CA GLU A 22 -2.072 -5.933 10.539 1.00 0.83 C ATOM 342 C GLU A 22 -1.303 -5.219 9.428 1.00 0.80 C ATOM 343 O GLU A 22 -1.892 -4.660 8.523 1.00 1.16 O ATOM 344 CB GLU A 22 -2.720 -7.207 9.985 1.00 0.98 C ATOM 345 CG GLU A 22 -1.641 -8.203 9.550 1.00 1.51 C ATOM 346 CD GLU A 22 -0.884 -8.707 10.781 1.00 2.01 C ATOM 347 OE1 GLU A 22 -1.378 -8.508 11.878 1.00 2.63 O ATOM 348 OE2 GLU A 22 0.176 -9.285 10.604 1.00 2.51 O ATOM 0 H GLU A 22 -3.783 -4.693 10.287 1.00 0.72 H new ATOM 0 HA GLU A 22 -1.399 -6.204 11.353 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -3.358 -7.659 10.745 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -3.360 -6.960 9.138 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -2.096 -9.041 9.022 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -0.950 -7.726 8.855 1.00 1.51 H new ATOM 355 N LYS A 23 -0.001 -5.216 9.480 1.00 0.66 N ATOM 356 CA LYS A 23 0.768 -4.516 8.415 1.00 0.68 C ATOM 357 C LYS A 23 0.433 -5.154 7.069 1.00 0.56 C ATOM 358 O LYS A 23 0.262 -4.476 6.076 1.00 0.59 O ATOM 359 CB LYS A 23 2.270 -4.647 8.688 1.00 0.84 C ATOM 360 CG LYS A 23 2.652 -3.881 9.963 1.00 0.96 C ATOM 361 CD LYS A 23 2.834 -2.387 9.665 1.00 0.79 C ATOM 362 CE LYS A 23 3.072 -1.640 10.977 1.00 1.23 C ATOM 363 NZ LYS A 23 1.825 -1.665 11.794 1.00 2.02 N ATOM 0 H LYS A 23 0.559 -5.663 10.206 1.00 0.66 H new ATOM 0 HA LYS A 23 0.503 -3.459 8.402 1.00 0.68 H new ATOM 0 HB2 LYS A 23 2.536 -5.699 8.795 1.00 0.84 H new ATOM 0 HB3 LYS A 23 2.835 -4.259 7.840 1.00 0.84 H new ATOM 0 HG2 LYS A 23 1.878 -4.014 10.719 1.00 0.96 H new ATOM 0 HG3 LYS A 23 3.574 -4.289 10.376 1.00 0.96 H new ATOM 0 HD2 LYS A 23 3.677 -2.238 8.990 1.00 0.79 H new ATOM 0 HD3 LYS A 23 1.950 -1.993 9.163 1.00 0.79 H new ATOM 0 HE2 LYS A 23 3.891 -2.103 11.528 1.00 1.23 H new ATOM 0 HE3 LYS A 23 3.366 -0.610 10.774 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 1.562 -0.693 12.056 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 1.056 -2.095 11.241 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 1.986 -2.224 12.656 1.00 2.02 H new ATOM 377 N LYS A 24 0.311 -6.453 7.028 1.00 0.49 N ATOM 378 CA LYS A 24 -0.041 -7.117 5.744 1.00 0.43 C ATOM 379 C LYS A 24 -1.564 -7.112 5.619 1.00 0.44 C ATOM 380 O LYS A 24 -2.265 -7.677 6.437 1.00 0.75 O ATOM 381 CB LYS A 24 0.483 -8.555 5.747 1.00 0.41 C ATOM 382 CG LYS A 24 2.011 -8.539 5.676 1.00 0.45 C ATOM 383 CD LYS A 24 2.539 -9.976 5.679 1.00 0.50 C ATOM 384 CE LYS A 24 4.067 -9.955 5.608 1.00 0.59 C ATOM 385 NZ LYS A 24 4.593 -11.340 5.766 1.00 1.55 N ATOM 0 H LYS A 24 0.439 -7.079 7.823 1.00 0.49 H new ATOM 0 HA LYS A 24 0.408 -6.590 4.902 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.155 -9.071 6.649 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.074 -9.104 4.899 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.338 -8.022 4.774 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.419 -7.989 6.524 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.213 -10.493 6.581 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.132 -10.527 4.831 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.391 -9.538 4.654 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.469 -9.311 6.390 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.632 -11.324 5.718 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.295 -11.722 6.686 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.220 -11.942 5.004 1.00 1.55 H new ATOM 399 N ILE A 25 -2.080 -6.456 4.612 1.00 0.35 N ATOM 400 CA ILE A 25 -3.561 -6.371 4.424 1.00 0.34 C ATOM 401 C ILE A 25 -3.914 -6.753 2.990 1.00 0.31 C ATOM 402 O ILE A 25 -3.173 -6.489 2.064 1.00 0.33 O ATOM 403 CB ILE A 25 -4.022 -4.938 4.694 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.538 -4.850 4.510 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.332 -3.986 3.715 1.00 0.38 C ATOM 406 CD1 ILE A 25 -6.041 -3.513 5.059 1.00 0.47 C ATOM 0 H ILE A 25 -1.532 -5.969 3.903 1.00 0.35 H new ATOM 0 HA ILE A 25 -4.057 -7.053 5.115 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.762 -4.658 5.715 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.793 -4.941 3.454 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -6.027 -5.675 5.028 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.661 -2.965 3.908 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.252 -4.050 3.845 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.591 -4.264 2.693 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -7.121 -3.449 4.928 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.799 -3.441 6.119 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.562 -2.695 4.521 1.00 0.47 H new ATOM 418 N THR A 26 -5.038 -7.385 2.801 1.00 0.30 N ATOM 419 CA THR A 26 -5.434 -7.797 1.428 1.00 0.31 C ATOM 420 C THR A 26 -6.017 -6.605 0.673 1.00 0.28 C ATOM 421 O THR A 26 -6.408 -5.610 1.251 1.00 0.27 O ATOM 422 CB THR A 26 -6.490 -8.901 1.510 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.718 -8.348 1.961 1.00 0.76 O ATOM 424 CG2 THR A 26 -6.027 -9.979 2.489 1.00 0.81 C ATOM 0 H THR A 26 -5.698 -7.633 3.538 1.00 0.30 H new ATOM 0 HA THR A 26 -4.553 -8.164 0.901 1.00 0.31 H new ATOM 0 HB THR A 26 -6.630 -9.343 0.524 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.396 -9.054 2.012 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.780 -10.765 2.547 1.00 0.81 H new ATOM 0 HG22 THR A 26 -5.084 -10.404 2.143 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.886 -9.538 3.476 1.00 0.81 H new ATOM 432 N LEU A 27 -6.076 -6.714 -0.622 1.00 0.31 N ATOM 433 CA LEU A 27 -6.630 -5.616 -1.458 1.00 0.34 C ATOM 434 C LEU A 27 -8.082 -5.378 -1.032 1.00 0.30 C ATOM 435 O LEU A 27 -8.532 -4.256 -0.870 1.00 0.31 O ATOM 436 CB LEU A 27 -6.552 -6.084 -2.917 1.00 0.44 C ATOM 437 CG LEU A 27 -7.064 -5.020 -3.901 1.00 0.47 C ATOM 438 CD1 LEU A 27 -6.267 -3.719 -3.723 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.878 -5.550 -5.333 1.00 0.68 C ATOM 0 H LEU A 27 -5.759 -7.530 -1.145 1.00 0.31 H new ATOM 0 HA LEU A 27 -6.079 -4.683 -1.342 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.519 -6.334 -3.161 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -7.137 -6.996 -3.035 1.00 0.44 H new ATOM 0 HG LEU A 27 -8.118 -4.814 -3.712 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.634 -2.969 -4.423 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -6.389 -3.354 -2.703 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -5.211 -3.910 -3.916 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -7.236 -4.807 -6.045 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.821 -5.746 -5.514 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -7.444 -6.473 -5.456 1.00 0.68 H new ATOM 451 N ASN A 28 -8.810 -6.440 -0.832 1.00 0.30 N ATOM 452 CA ASN A 28 -10.229 -6.311 -0.404 1.00 0.31 C ATOM 453 C ASN A 28 -10.306 -5.646 0.975 1.00 0.29 C ATOM 454 O ASN A 28 -11.172 -4.835 1.237 1.00 0.32 O ATOM 455 CB ASN A 28 -10.858 -7.703 -0.316 1.00 0.36 C ATOM 456 CG ASN A 28 -11.026 -8.285 -1.719 1.00 0.43 C ATOM 457 OD1 ASN A 28 -11.178 -7.556 -2.680 1.00 1.07 O ATOM 458 ND2 ASN A 28 -11.004 -9.580 -1.879 1.00 1.25 N ATOM 0 H ASN A 28 -8.480 -7.398 -0.948 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.764 -5.700 -1.131 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.229 -8.359 0.287 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.826 -7.644 0.181 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.114 -9.981 -2.810 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -10.876 -10.191 -1.073 1.00 1.25 H new ATOM 465 N GLY A 29 -9.414 -5.997 1.859 1.00 0.28 N ATOM 466 CA GLY A 29 -9.434 -5.406 3.228 1.00 0.29 C ATOM 467 C GLY A 29 -9.266 -3.886 3.159 1.00 0.28 C ATOM 468 O GLY A 29 -9.870 -3.152 3.915 1.00 0.29 O ATOM 0 H GLY A 29 -8.667 -6.672 1.692 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.374 -5.652 3.723 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.635 -5.839 3.829 1.00 0.29 H new ATOM 472 N ILE A 30 -8.437 -3.407 2.274 1.00 0.26 N ATOM 473 CA ILE A 30 -8.225 -1.936 2.183 1.00 0.27 C ATOM 474 C ILE A 30 -9.551 -1.241 1.863 1.00 0.27 C ATOM 475 O ILE A 30 -9.849 -0.196 2.407 1.00 0.29 O ATOM 476 CB ILE A 30 -7.183 -1.636 1.099 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.814 -2.121 1.587 1.00 0.32 C ATOM 478 CG2 ILE A 30 -7.123 -0.128 0.835 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.791 -2.065 0.448 1.00 0.35 C ATOM 0 H ILE A 30 -7.899 -3.968 1.613 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.858 -1.558 3.137 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.457 -2.147 0.176 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.477 -1.502 2.418 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.895 -3.141 1.962 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.381 0.077 0.064 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -8.100 0.222 0.501 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.846 0.391 1.752 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.824 -2.413 0.810 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -5.123 -2.704 -0.371 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.698 -1.039 0.093 1.00 0.35 H new ATOM 491 N TYR A 31 -10.359 -1.795 0.999 1.00 0.28 N ATOM 492 CA TYR A 31 -11.656 -1.117 0.694 1.00 0.30 C ATOM 493 C TYR A 31 -12.488 -1.002 1.974 1.00 0.30 C ATOM 494 O TYR A 31 -13.110 0.007 2.229 1.00 0.32 O ATOM 495 CB TYR A 31 -12.479 -1.924 -0.319 1.00 0.36 C ATOM 496 CG TYR A 31 -11.738 -2.118 -1.626 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.073 -1.054 -2.256 1.00 1.20 C ATOM 498 CD2 TYR A 31 -11.718 -3.391 -2.212 1.00 1.36 C ATOM 499 CE1 TYR A 31 -10.397 -1.271 -3.460 1.00 1.23 C ATOM 500 CE2 TYR A 31 -11.037 -3.604 -3.413 1.00 1.40 C ATOM 501 CZ TYR A 31 -10.380 -2.544 -4.035 1.00 0.58 C ATOM 502 OH TYR A 31 -9.714 -2.753 -5.217 1.00 0.72 O ATOM 0 H TYR A 31 -10.185 -2.668 0.500 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.426 -0.135 0.281 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -12.725 -2.897 0.106 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.422 -1.412 -0.510 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -11.084 -0.070 -1.811 1.00 1.20 H new ATOM 0 HD2 TYR A 31 -12.232 -4.211 -1.733 1.00 1.36 H new ATOM 0 HE1 TYR A 31 -9.887 -0.453 -3.947 1.00 1.23 H new ATOM 0 HE2 TYR A 31 -11.020 -4.588 -3.858 1.00 1.40 H new ATOM 0 HH TYR A 31 -9.147 -3.548 -5.137 1.00 0.72 H new ATOM 512 N GLN A 32 -12.530 -2.037 2.765 1.00 0.31 N ATOM 513 CA GLN A 32 -13.357 -1.991 4.004 1.00 0.35 C ATOM 514 C GLN A 32 -12.887 -0.861 4.926 1.00 0.33 C ATOM 515 O GLN A 32 -13.686 -0.165 5.518 1.00 0.34 O ATOM 516 CB GLN A 32 -13.247 -3.329 4.736 1.00 0.41 C ATOM 517 CG GLN A 32 -14.153 -3.314 5.969 1.00 1.25 C ATOM 518 CD GLN A 32 -14.122 -4.688 6.644 1.00 1.79 C ATOM 519 OE1 GLN A 32 -13.069 -5.267 6.822 1.00 2.35 O ATOM 520 NE2 GLN A 32 -15.242 -5.235 7.029 1.00 2.51 N ATOM 0 H GLN A 32 -12.029 -2.911 2.608 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.395 -1.804 3.727 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -13.534 -4.144 4.071 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -12.214 -3.509 5.033 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.821 -2.546 6.668 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -15.173 -3.062 5.680 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -16.126 -4.748 6.879 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -15.234 -6.150 7.480 1.00 2.51 H new ATOM 529 N PHE A 33 -11.604 -0.674 5.064 1.00 0.33 N ATOM 530 CA PHE A 33 -11.106 0.409 5.960 1.00 0.35 C ATOM 531 C PHE A 33 -11.619 1.770 5.483 1.00 0.32 C ATOM 532 O PHE A 33 -12.118 2.564 6.256 1.00 0.34 O ATOM 533 CB PHE A 33 -9.575 0.422 5.958 1.00 0.40 C ATOM 534 CG PHE A 33 -9.091 1.575 6.805 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.859 1.391 8.173 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.880 2.830 6.222 1.00 1.23 C ATOM 537 CE1 PHE A 33 -8.418 2.463 8.958 1.00 1.37 C ATOM 538 CE2 PHE A 33 -8.437 3.901 7.006 1.00 1.27 C ATOM 539 CZ PHE A 33 -8.206 3.718 8.375 1.00 0.63 C ATOM 0 H PHE A 33 -10.881 -1.221 4.598 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.471 0.220 6.969 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.190 -0.520 6.349 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.201 0.521 4.939 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -9.020 0.422 8.623 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -9.059 2.972 5.166 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -8.241 2.322 10.014 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -8.273 4.869 6.555 1.00 1.27 H new ATOM 0 HZ PHE A 33 -7.865 4.544 8.981 1.00 0.63 H new ATOM 549 N ILE A 34 -11.473 2.052 4.220 1.00 0.28 N ATOM 550 CA ILE A 34 -11.921 3.368 3.686 1.00 0.27 C ATOM 551 C ILE A 34 -13.426 3.557 3.912 1.00 0.26 C ATOM 552 O ILE A 34 -13.876 4.636 4.242 1.00 0.27 O ATOM 553 CB ILE A 34 -11.583 3.424 2.194 1.00 0.27 C ATOM 554 CG1 ILE A 34 -10.061 3.497 2.045 1.00 0.32 C ATOM 555 CG2 ILE A 34 -12.222 4.660 1.556 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.665 3.305 0.582 1.00 0.59 C ATOM 0 H ILE A 34 -11.060 1.424 3.530 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.408 4.175 4.209 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.969 2.536 1.694 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.699 4.460 2.404 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.591 2.730 2.660 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.975 4.690 0.495 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.304 4.613 1.676 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.842 5.558 2.043 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.580 3.359 0.489 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -10.011 2.331 0.236 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -10.121 4.088 -0.024 1.00 0.59 H new ATOM 568 N MET A 35 -14.211 2.531 3.734 1.00 0.27 N ATOM 569 CA MET A 35 -15.681 2.680 3.938 1.00 0.29 C ATOM 570 C MET A 35 -15.973 3.095 5.386 1.00 0.29 C ATOM 571 O MET A 35 -16.793 3.954 5.640 1.00 0.31 O ATOM 572 CB MET A 35 -16.370 1.341 3.666 1.00 0.37 C ATOM 573 CG MET A 35 -16.203 0.959 2.194 1.00 0.44 C ATOM 574 SD MET A 35 -16.743 -0.757 1.973 1.00 0.69 S ATOM 575 CE MET A 35 -16.043 -1.061 0.330 1.00 0.47 C ATOM 0 H MET A 35 -13.901 1.599 3.457 1.00 0.27 H new ATOM 0 HA MET A 35 -16.055 3.444 3.256 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.943 0.566 4.303 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.429 1.410 3.915 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.791 1.624 1.562 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.162 1.069 1.891 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.846 -1.104 -0.405 1.00 0.47 H new ATOM 0 HE2 MET A 35 -15.357 -0.254 0.072 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.504 -2.008 0.334 1.00 0.47 H new ATOM 585 N ASP A 36 -15.322 2.478 6.339 1.00 0.31 N ATOM 586 CA ASP A 36 -15.580 2.825 7.769 1.00 0.37 C ATOM 587 C ASP A 36 -14.953 4.177 8.120 1.00 0.38 C ATOM 588 O ASP A 36 -15.607 5.052 8.652 1.00 0.45 O ATOM 589 CB ASP A 36 -14.971 1.745 8.669 1.00 0.43 C ATOM 590 CG ASP A 36 -15.816 0.470 8.593 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.995 0.579 8.297 1.00 1.17 O ATOM 592 OD2 ASP A 36 -15.270 -0.593 8.839 1.00 1.12 O ATOM 0 H ASP A 36 -14.624 1.750 6.189 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.657 2.885 7.924 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -13.948 1.533 8.358 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -14.924 2.100 9.698 1.00 0.43 H new ATOM 597 N ARG A 37 -13.692 4.357 7.837 1.00 0.39 N ATOM 598 CA ARG A 37 -13.039 5.654 8.171 1.00 0.46 C ATOM 599 C ARG A 37 -13.757 6.784 7.431 1.00 0.45 C ATOM 600 O ARG A 37 -14.077 7.807 8.002 1.00 0.59 O ATOM 601 CB ARG A 37 -11.568 5.611 7.742 1.00 0.53 C ATOM 602 CG ARG A 37 -10.814 6.837 8.279 1.00 1.16 C ATOM 603 CD ARG A 37 -10.417 6.628 9.746 1.00 1.28 C ATOM 604 NE ARG A 37 -9.546 7.755 10.183 1.00 1.77 N ATOM 605 CZ ARG A 37 -9.297 7.936 11.451 1.00 2.16 C ATOM 606 NH1 ARG A 37 -9.787 7.114 12.339 1.00 2.31 N ATOM 607 NH2 ARG A 37 -8.554 8.938 11.833 1.00 3.00 N ATOM 0 H ARG A 37 -13.088 3.666 7.391 1.00 0.39 H new ATOM 0 HA ARG A 37 -13.096 5.828 9.246 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.101 4.699 8.113 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -11.501 5.583 6.654 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -9.923 7.015 7.677 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -11.441 7.724 8.189 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -11.308 6.577 10.372 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -9.891 5.680 9.861 1.00 1.28 H new ATOM 0 HE ARG A 37 -9.144 8.386 9.490 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -10.366 6.328 12.042 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -9.591 7.257 13.330 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -8.168 9.580 11.141 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -8.359 9.080 12.824 1.00 3.00 H new ATOM 621 N PHE A 38 -14.011 6.597 6.160 1.00 0.40 N ATOM 622 CA PHE A 38 -14.710 7.641 5.349 1.00 0.41 C ATOM 623 C PHE A 38 -15.978 7.018 4.736 1.00 0.39 C ATOM 624 O PHE A 38 -15.882 6.178 3.863 1.00 0.51 O ATOM 625 CB PHE A 38 -13.767 8.100 4.234 1.00 0.43 C ATOM 626 CG PHE A 38 -12.421 8.440 4.833 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.249 9.634 5.544 1.00 1.21 C ATOM 628 CD2 PHE A 38 -11.343 7.558 4.681 1.00 1.47 C ATOM 629 CE1 PHE A 38 -11.002 9.946 6.100 1.00 1.27 C ATOM 630 CE2 PHE A 38 -10.097 7.870 5.237 1.00 1.54 C ATOM 631 CZ PHE A 38 -9.927 9.064 5.947 1.00 0.82 C ATOM 0 H PHE A 38 -13.760 5.754 5.643 1.00 0.40 H new ATOM 0 HA PHE A 38 -14.986 8.494 5.969 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -13.658 7.314 3.486 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.182 8.970 3.724 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.079 10.315 5.664 1.00 1.21 H new ATOM 0 HD2 PHE A 38 -11.474 6.636 4.134 1.00 1.47 H new ATOM 0 HE1 PHE A 38 -10.870 10.868 6.647 1.00 1.27 H new ATOM 0 HE2 PHE A 38 -9.267 7.189 5.118 1.00 1.54 H new ATOM 0 HZ PHE A 38 -8.966 9.304 6.377 1.00 0.82 H new ATOM 641 N PRO A 39 -17.159 7.391 5.185 1.00 0.53 N ATOM 642 CA PRO A 39 -18.430 6.812 4.655 1.00 0.55 C ATOM 643 C PRO A 39 -18.891 7.465 3.347 1.00 0.47 C ATOM 644 O PRO A 39 -19.834 7.020 2.723 1.00 0.47 O ATOM 645 CB PRO A 39 -19.426 7.095 5.781 1.00 0.70 C ATOM 646 CG PRO A 39 -18.960 8.383 6.376 1.00 1.21 C ATOM 647 CD PRO A 39 -17.431 8.394 6.235 1.00 0.88 C ATOM 0 HA PRO A 39 -18.323 5.757 4.404 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.444 7.179 5.399 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -19.428 6.294 6.520 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.404 9.234 5.859 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.255 8.457 7.423 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.064 9.380 5.949 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -16.942 8.132 7.173 1.00 0.88 H new ATOM 655 N PHE A 40 -18.245 8.517 2.927 1.00 0.44 N ATOM 656 CA PHE A 40 -18.665 9.184 1.661 1.00 0.42 C ATOM 657 C PHE A 40 -18.554 8.177 0.510 1.00 0.34 C ATOM 658 O PHE A 40 -19.320 8.199 -0.434 1.00 0.36 O ATOM 659 CB PHE A 40 -17.753 10.394 1.376 1.00 0.48 C ATOM 660 CG PHE A 40 -17.140 10.906 2.661 1.00 1.33 C ATOM 661 CD1 PHE A 40 -17.961 11.263 3.737 1.00 2.34 C ATOM 662 CD2 PHE A 40 -15.748 11.038 2.771 1.00 2.20 C ATOM 663 CE1 PHE A 40 -17.392 11.753 4.920 1.00 3.41 C ATOM 664 CE2 PHE A 40 -15.181 11.525 3.954 1.00 3.29 C ATOM 665 CZ PHE A 40 -16.003 11.883 5.028 1.00 3.74 C ATOM 0 H PHE A 40 -17.449 8.942 3.402 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.694 9.531 1.755 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -16.966 10.108 0.679 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -18.329 11.187 0.899 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.033 11.161 3.655 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.113 10.763 1.942 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -18.026 12.031 5.749 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -14.109 11.625 4.038 1.00 3.29 H new ATOM 0 HZ PHE A 40 -15.565 12.260 5.941 1.00 3.74 H new ATOM 675 N TYR A 41 -17.582 7.312 0.581 1.00 0.27 N ATOM 676 CA TYR A 41 -17.368 6.307 -0.498 1.00 0.25 C ATOM 677 C TYR A 41 -18.535 5.318 -0.554 1.00 0.29 C ATOM 678 O TYR A 41 -18.826 4.754 -1.589 1.00 0.35 O ATOM 679 CB TYR A 41 -16.064 5.563 -0.215 1.00 0.23 C ATOM 680 CG TYR A 41 -14.915 6.522 -0.399 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.508 7.334 0.665 1.00 1.10 C ATOM 682 CD2 TYR A 41 -14.270 6.614 -1.636 1.00 1.04 C ATOM 683 CE1 TYR A 41 -13.452 8.236 0.493 1.00 1.12 C ATOM 684 CE2 TYR A 41 -13.214 7.516 -1.811 1.00 1.05 C ATOM 685 CZ TYR A 41 -12.803 8.328 -0.745 1.00 0.34 C ATOM 686 OH TYR A 41 -11.762 9.217 -0.918 1.00 0.40 O ATOM 0 H TYR A 41 -16.917 7.258 1.352 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.310 6.813 -1.462 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.067 5.166 0.800 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.959 4.713 -0.889 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -15.009 7.265 1.619 1.00 1.10 H new ATOM 0 HD2 TYR A 41 -14.587 5.988 -2.457 1.00 1.04 H new ATOM 0 HE1 TYR A 41 -13.137 8.862 1.315 1.00 1.12 H new ATOM 0 HE2 TYR A 41 -12.716 7.586 -2.767 1.00 1.05 H new ATOM 0 HH TYR A 41 -11.425 9.151 -1.836 1.00 0.40 H new ATOM 696 N ARG A 42 -19.210 5.099 0.540 1.00 0.33 N ATOM 697 CA ARG A 42 -20.352 4.142 0.517 1.00 0.42 C ATOM 698 C ARG A 42 -21.401 4.629 -0.484 1.00 0.44 C ATOM 699 O ARG A 42 -21.988 3.847 -1.204 1.00 0.53 O ATOM 700 CB ARG A 42 -20.971 4.027 1.913 1.00 0.50 C ATOM 701 CG ARG A 42 -20.003 3.283 2.835 1.00 0.58 C ATOM 702 CD ARG A 42 -20.611 3.162 4.233 1.00 0.63 C ATOM 703 NE ARG A 42 -21.960 2.539 4.138 1.00 1.26 N ATOM 704 CZ ARG A 42 -22.529 2.047 5.206 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.897 2.063 6.347 1.00 1.95 N ATOM 706 NH2 ARG A 42 -23.726 1.534 5.131 1.00 2.51 N ATOM 0 H ARG A 42 -19.023 5.537 1.442 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.993 3.159 0.214 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.182 5.019 2.313 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.921 3.496 1.859 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.792 2.292 2.433 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -19.053 3.815 2.886 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -19.965 2.559 4.871 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -20.686 4.147 4.695 1.00 0.63 H new ATOM 0 HE ARG A 42 -22.440 2.496 3.239 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -20.959 2.460 6.405 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -22.341 1.679 7.181 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -24.218 1.517 4.238 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -24.170 1.150 5.965 1.00 2.51 H new ATOM 720 N GLU A 43 -21.636 5.911 -0.551 1.00 0.42 N ATOM 721 CA GLU A 43 -22.640 6.419 -1.525 1.00 0.48 C ATOM 722 C GLU A 43 -22.197 6.031 -2.932 1.00 0.45 C ATOM 723 O GLU A 43 -22.991 5.647 -3.768 1.00 0.66 O ATOM 724 CB GLU A 43 -22.757 7.942 -1.413 1.00 0.62 C ATOM 725 CG GLU A 43 -23.431 8.306 -0.089 1.00 1.27 C ATOM 726 CD GLU A 43 -23.550 9.828 0.026 1.00 1.75 C ATOM 727 OE1 GLU A 43 -22.619 10.439 0.521 1.00 2.34 O ATOM 728 OE2 GLU A 43 -24.572 10.355 -0.383 1.00 2.28 O ATOM 0 H GLU A 43 -21.180 6.622 0.021 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.615 5.982 -1.311 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -21.769 8.398 -1.468 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.336 8.335 -2.248 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.419 7.849 -0.035 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -22.851 7.912 0.746 1.00 1.27 H new ATOM 735 N ASN A 44 -20.924 6.124 -3.183 1.00 0.44 N ATOM 736 CA ASN A 44 -20.364 5.760 -4.523 1.00 0.43 C ATOM 737 C ASN A 44 -19.385 4.594 -4.362 1.00 0.37 C ATOM 738 O ASN A 44 -18.279 4.762 -3.887 1.00 0.47 O ATOM 739 CB ASN A 44 -19.621 6.967 -5.095 1.00 0.54 C ATOM 740 CG ASN A 44 -20.630 8.057 -5.459 1.00 1.30 C ATOM 741 OD1 ASN A 44 -21.764 7.767 -5.785 1.00 2.01 O ATOM 742 ND2 ASN A 44 -20.264 9.309 -5.413 1.00 1.97 N ATOM 0 H ASN A 44 -20.230 6.442 -2.507 1.00 0.44 H new ATOM 0 HA ASN A 44 -21.171 5.469 -5.195 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -18.906 7.347 -4.366 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -19.052 6.673 -5.977 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -20.930 10.044 -5.651 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -19.312 9.552 -5.139 1.00 1.97 H new ATOM 749 N LYS A 45 -19.784 3.412 -4.747 1.00 0.49 N ATOM 750 CA LYS A 45 -18.883 2.228 -4.611 1.00 0.61 C ATOM 751 C LYS A 45 -18.049 2.036 -5.877 1.00 0.71 C ATOM 752 O LYS A 45 -16.835 2.046 -5.842 1.00 0.97 O ATOM 753 CB LYS A 45 -19.735 0.982 -4.381 1.00 0.76 C ATOM 754 CG LYS A 45 -20.520 1.141 -3.079 1.00 0.74 C ATOM 755 CD LYS A 45 -21.376 -0.101 -2.839 1.00 0.93 C ATOM 756 CE LYS A 45 -22.176 0.081 -1.548 1.00 1.11 C ATOM 757 NZ LYS A 45 -22.843 -1.203 -1.190 1.00 1.68 N ATOM 0 H LYS A 45 -20.699 3.213 -5.152 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.210 2.391 -3.770 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.420 0.836 -5.217 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.100 0.097 -4.331 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.834 1.288 -2.245 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -21.153 2.027 -3.131 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -22.051 -0.260 -3.680 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -20.743 -0.985 -2.767 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -21.516 0.397 -0.740 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -22.921 0.866 -1.677 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -23.387 -1.079 -0.312 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -23.485 -1.487 -1.958 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -22.123 -1.941 -1.050 1.00 1.68 H new ATOM 771 N GLN A 46 -18.697 1.838 -6.991 1.00 0.95 N ATOM 772 CA GLN A 46 -17.952 1.618 -8.262 1.00 1.12 C ATOM 773 C GLN A 46 -17.262 2.908 -8.699 1.00 0.71 C ATOM 774 O GLN A 46 -17.822 3.984 -8.602 1.00 1.16 O ATOM 775 CB GLN A 46 -18.936 1.188 -9.350 1.00 1.90 C ATOM 776 CG GLN A 46 -19.518 -0.183 -9.007 1.00 2.64 C ATOM 777 CD GLN A 46 -20.508 -0.601 -10.096 1.00 3.38 C ATOM 778 OE1 GLN A 46 -20.150 -1.299 -11.023 1.00 3.81 O ATOM 779 NE2 GLN A 46 -21.747 -0.197 -10.023 1.00 3.98 N ATOM 0 H GLN A 46 -19.713 1.819 -7.076 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.200 0.845 -8.105 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.737 1.922 -9.440 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.431 1.148 -10.315 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -18.719 -0.919 -8.925 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -20.019 -0.146 -8.039 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -22.047 0.389 -9.244 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -22.415 -0.468 -10.745 1.00 3.98 H new ATOM 788 N GLY A 47 -16.057 2.803 -9.197 1.00 0.78 N ATOM 789 CA GLY A 47 -15.311 4.010 -9.671 1.00 0.73 C ATOM 790 C GLY A 47 -14.048 4.213 -8.834 1.00 0.54 C ATOM 791 O GLY A 47 -12.948 4.225 -9.351 1.00 0.64 O ATOM 0 H GLY A 47 -15.551 1.923 -9.297 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -15.045 3.893 -10.721 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -15.948 4.891 -9.600 1.00 0.73 H new ATOM 795 N TRP A 48 -14.190 4.393 -7.549 1.00 0.44 N ATOM 796 CA TRP A 48 -12.988 4.619 -6.697 1.00 0.33 C ATOM 797 C TRP A 48 -12.325 3.288 -6.334 1.00 0.31 C ATOM 798 O TRP A 48 -11.132 3.222 -6.112 1.00 0.37 O ATOM 799 CB TRP A 48 -13.394 5.364 -5.423 1.00 0.36 C ATOM 800 CG TRP A 48 -14.186 4.483 -4.504 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.534 4.340 -4.518 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.703 3.645 -3.413 1.00 0.35 C ATOM 803 NE1 TRP A 48 -15.902 3.483 -3.500 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.813 3.022 -2.794 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.423 3.369 -2.904 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.660 2.159 -1.708 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.265 2.499 -1.814 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.379 1.895 -1.217 1.00 0.42 C ATOM 0 H TRP A 48 -15.082 4.393 -7.054 1.00 0.44 H new ATOM 0 HA TRP A 48 -12.271 5.219 -7.256 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.502 5.721 -4.908 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -13.984 6.242 -5.685 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.209 4.818 -5.212 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.867 3.222 -3.295 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.556 3.829 -3.354 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.524 1.699 -1.251 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.276 2.293 -1.432 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.248 1.227 -0.379 1.00 0.42 H new ATOM 819 N GLN A 49 -13.080 2.229 -6.258 1.00 0.41 N ATOM 820 CA GLN A 49 -12.474 0.919 -5.893 1.00 0.47 C ATOM 821 C GLN A 49 -11.490 0.474 -6.980 1.00 0.37 C ATOM 822 O GLN A 49 -10.432 -0.041 -6.691 1.00 0.38 O ATOM 823 CB GLN A 49 -13.581 -0.128 -5.760 1.00 0.65 C ATOM 824 CG GLN A 49 -14.421 0.166 -4.517 1.00 1.21 C ATOM 825 CD GLN A 49 -15.526 -0.884 -4.388 1.00 1.35 C ATOM 826 OE1 GLN A 49 -15.855 -1.600 -5.427 1.00 1.96 O flip ATOM 827 NE2 GLN A 49 -16.099 -1.051 -3.329 1.00 1.59 N flip ATOM 0 H GLN A 49 -14.085 2.213 -6.432 1.00 0.41 H new ATOM 0 HA GLN A 49 -11.942 1.023 -4.948 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -14.213 -0.118 -6.648 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -13.146 -1.125 -5.689 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -13.790 0.157 -3.628 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -14.858 1.162 -4.587 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -15.842 -0.491 -2.516 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -16.837 -1.751 -3.253 1.00 1.59 H new ATOM 836 N ASN A 50 -11.838 0.661 -8.225 1.00 0.37 N ATOM 837 CA ASN A 50 -10.937 0.238 -9.342 1.00 0.39 C ATOM 838 C ASN A 50 -9.687 1.118 -9.425 1.00 0.34 C ATOM 839 O ASN A 50 -8.605 0.641 -9.706 1.00 0.39 O ATOM 840 CB ASN A 50 -11.698 0.311 -10.668 1.00 0.53 C ATOM 841 CG ASN A 50 -12.756 -0.794 -10.711 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.666 -1.764 -9.985 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.760 -0.691 -11.538 1.00 1.28 N ATOM 0 H ASN A 50 -12.714 1.092 -8.521 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.617 -0.785 -9.145 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -12.172 1.287 -10.774 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -11.006 0.200 -11.503 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -14.468 -1.424 -11.574 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.837 0.123 -12.148 1.00 1.28 H new ATOM 850 N SER A 51 -9.817 2.399 -9.220 1.00 0.31 N ATOM 851 CA SER A 51 -8.627 3.292 -9.332 1.00 0.36 C ATOM 852 C SER A 51 -7.555 2.872 -8.324 1.00 0.37 C ATOM 853 O SER A 51 -6.378 2.878 -8.624 1.00 0.50 O ATOM 854 CB SER A 51 -9.048 4.736 -9.056 1.00 0.38 C ATOM 855 OG SER A 51 -9.922 5.177 -10.086 1.00 1.49 O ATOM 0 H SER A 51 -10.692 2.866 -8.981 1.00 0.31 H new ATOM 0 HA SER A 51 -8.217 3.214 -10.339 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.545 4.803 -8.088 1.00 0.38 H new ATOM 0 HB3 SER A 51 -8.170 5.380 -9.008 1.00 0.38 H new ATOM 0 HG SER A 51 -10.836 4.883 -9.888 1.00 1.49 H new ATOM 861 N ILE A 52 -7.943 2.508 -7.135 1.00 0.33 N ATOM 862 CA ILE A 52 -6.932 2.091 -6.121 1.00 0.43 C ATOM 863 C ILE A 52 -6.148 0.880 -6.640 1.00 0.42 C ATOM 864 O ILE A 52 -4.951 0.781 -6.457 1.00 0.47 O ATOM 865 CB ILE A 52 -7.648 1.719 -4.819 1.00 0.51 C ATOM 866 CG1 ILE A 52 -8.355 2.955 -4.233 1.00 0.62 C ATOM 867 CG2 ILE A 52 -6.642 1.156 -3.812 1.00 0.64 C ATOM 868 CD1 ILE A 52 -7.361 4.084 -3.926 1.00 0.64 C ATOM 0 H ILE A 52 -8.913 2.481 -6.820 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.240 2.913 -5.937 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.397 0.956 -5.031 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.106 3.313 -4.937 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -8.881 2.675 -3.320 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -7.159 0.894 -2.889 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.169 0.266 -4.228 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -5.880 1.906 -3.601 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -7.897 4.939 -3.514 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -6.625 3.734 -3.202 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -6.854 4.382 -4.844 1.00 0.64 H new ATOM 880 N ARG A 53 -6.810 -0.046 -7.283 1.00 0.45 N ATOM 881 CA ARG A 53 -6.099 -1.250 -7.808 1.00 0.53 C ATOM 882 C ARG A 53 -5.147 -0.832 -8.931 1.00 0.49 C ATOM 883 O ARG A 53 -4.065 -1.367 -9.073 1.00 0.47 O ATOM 884 CB ARG A 53 -7.120 -2.241 -8.374 1.00 0.76 C ATOM 885 CG ARG A 53 -8.226 -2.466 -7.345 1.00 0.56 C ATOM 886 CD ARG A 53 -9.118 -3.654 -7.752 1.00 0.37 C ATOM 887 NE ARG A 53 -10.530 -3.371 -7.371 1.00 1.42 N ATOM 888 CZ ARG A 53 -11.500 -4.076 -7.887 1.00 1.74 C ATOM 889 NH1 ARG A 53 -11.236 -5.006 -8.764 1.00 1.58 N ATOM 890 NH2 ARG A 53 -12.734 -3.847 -7.532 1.00 2.76 N ATOM 0 H ARG A 53 -7.813 -0.021 -7.468 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.538 -1.716 -6.998 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -7.543 -1.856 -9.302 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.633 -3.186 -8.614 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -7.785 -2.655 -6.366 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -8.832 -1.565 -7.253 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.047 -3.824 -8.826 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -8.774 -4.565 -7.262 1.00 0.37 H new ATOM 0 HE ARG A 53 -10.739 -2.626 -6.707 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.272 -5.182 -9.046 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -11.994 -5.557 -9.167 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -12.942 -3.117 -6.851 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -13.491 -4.398 -7.936 1.00 2.76 H new ATOM 904 N HIS A 54 -5.549 0.112 -9.737 1.00 0.52 N ATOM 905 CA HIS A 54 -4.680 0.558 -10.863 1.00 0.59 C ATOM 906 C HIS A 54 -3.357 1.090 -10.310 1.00 0.53 C ATOM 907 O HIS A 54 -2.295 0.780 -10.813 1.00 0.59 O ATOM 908 CB HIS A 54 -5.394 1.670 -11.635 1.00 0.67 C ATOM 909 CG HIS A 54 -4.532 2.133 -12.777 1.00 1.12 C ATOM 910 ND1 HIS A 54 -4.237 1.322 -13.860 1.00 1.81 N ATOM 911 CD2 HIS A 54 -3.896 3.328 -13.019 1.00 1.99 C ATOM 912 CE1 HIS A 54 -3.459 2.031 -14.698 1.00 2.38 C ATOM 913 NE2 HIS A 54 -3.219 3.260 -14.233 1.00 2.48 N ATOM 0 H HIS A 54 -6.444 0.595 -9.664 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.480 -0.283 -11.527 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.350 1.307 -12.013 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -5.611 2.505 -10.969 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -3.918 4.188 -12.366 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -3.075 1.652 -15.634 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -2.660 3.991 -14.673 1.00 2.48 H new ATOM 921 N ASN A 55 -3.411 1.877 -9.274 1.00 0.46 N ATOM 922 CA ASN A 55 -2.154 2.415 -8.684 1.00 0.50 C ATOM 923 C ASN A 55 -1.372 1.276 -8.028 1.00 0.45 C ATOM 924 O ASN A 55 -0.160 1.225 -8.093 1.00 0.51 O ATOM 925 CB ASN A 55 -2.493 3.485 -7.643 1.00 0.53 C ATOM 926 CG ASN A 55 -2.999 4.742 -8.353 1.00 1.27 C ATOM 927 OD1 ASN A 55 -4.155 5.096 -8.242 1.00 2.07 O ATOM 928 ND2 ASN A 55 -2.170 5.437 -9.084 1.00 1.97 N ATOM 0 H ASN A 55 -4.270 2.171 -8.810 1.00 0.46 H new ATOM 0 HA ASN A 55 -1.544 2.863 -9.468 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.252 3.112 -6.956 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -1.611 3.721 -7.047 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -2.493 6.278 -9.562 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -1.199 5.139 -9.177 1.00 1.97 H new ATOM 935 N LEU A 56 -2.054 0.364 -7.389 1.00 0.39 N ATOM 936 CA LEU A 56 -1.345 -0.766 -6.723 1.00 0.39 C ATOM 937 C LEU A 56 -0.745 -1.707 -7.772 1.00 0.44 C ATOM 938 O LEU A 56 -1.040 -2.884 -7.811 1.00 0.78 O ATOM 939 CB LEU A 56 -2.324 -1.533 -5.833 1.00 0.44 C ATOM 940 CG LEU A 56 -2.671 -0.689 -4.597 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.831 -1.351 -3.849 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.453 -0.572 -3.658 1.00 0.53 C ATOM 0 H LEU A 56 -3.070 0.353 -7.299 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.537 -0.367 -6.110 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -3.230 -1.768 -6.391 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.884 -2.482 -5.526 1.00 0.44 H new ATOM 0 HG LEU A 56 -2.956 0.312 -4.921 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -4.083 -0.758 -2.970 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.699 -1.414 -4.506 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -3.538 -2.354 -3.538 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.720 0.030 -2.789 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -1.149 -1.566 -3.331 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.629 -0.096 -4.189 1.00 0.53 H new ATOM 954 N SER A 57 0.112 -1.191 -8.608 1.00 0.55 N ATOM 955 CA SER A 57 0.760 -2.036 -9.649 1.00 0.61 C ATOM 956 C SER A 57 1.837 -1.203 -10.342 1.00 0.64 C ATOM 957 O SER A 57 2.994 -1.573 -10.384 1.00 0.69 O ATOM 958 CB SER A 57 -0.278 -2.497 -10.672 1.00 0.71 C ATOM 959 OG SER A 57 -1.008 -1.372 -11.141 1.00 1.60 O ATOM 0 H SER A 57 0.394 -0.211 -8.614 1.00 0.55 H new ATOM 0 HA SER A 57 1.205 -2.918 -9.188 1.00 0.61 H new ATOM 0 HB2 SER A 57 0.214 -2.999 -11.505 1.00 0.71 H new ATOM 0 HB3 SER A 57 -0.955 -3.221 -10.219 1.00 0.71 H new ATOM 0 HG SER A 57 -1.454 -0.934 -10.386 1.00 1.60 H new ATOM 965 N LEU A 58 1.465 -0.069 -10.872 1.00 0.65 N ATOM 966 CA LEU A 58 2.466 0.804 -11.546 1.00 0.73 C ATOM 967 C LEU A 58 3.430 1.344 -10.490 1.00 0.69 C ATOM 968 O LEU A 58 4.621 1.432 -10.709 1.00 0.76 O ATOM 969 CB LEU A 58 1.751 1.981 -12.218 1.00 0.81 C ATOM 970 CG LEU A 58 0.888 1.487 -13.393 1.00 0.95 C ATOM 971 CD1 LEU A 58 -0.263 2.469 -13.636 1.00 1.38 C ATOM 972 CD2 LEU A 58 1.736 1.387 -14.670 1.00 1.31 C ATOM 0 H LEU A 58 0.510 0.290 -10.867 1.00 0.65 H new ATOM 0 HA LEU A 58 3.009 0.232 -12.299 1.00 0.73 H new ATOM 0 HB2 LEU A 58 1.124 2.497 -11.490 1.00 0.81 H new ATOM 0 HB3 LEU A 58 2.484 2.703 -12.576 1.00 0.81 H new ATOM 0 HG LEU A 58 0.491 0.503 -13.144 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -0.872 2.117 -14.468 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -0.879 2.537 -12.739 1.00 1.38 H new ATOM 0 HD13 LEU A 58 0.142 3.453 -13.874 1.00 1.38 H new ATOM 0 HD21 LEU A 58 1.114 1.037 -15.493 1.00 1.31 H new ATOM 0 HD22 LEU A 58 2.143 2.368 -14.915 1.00 1.31 H new ATOM 0 HD23 LEU A 58 2.554 0.685 -14.509 1.00 1.31 H new ATOM 984 N ASN A 59 2.922 1.701 -9.340 1.00 0.62 N ATOM 985 CA ASN A 59 3.814 2.228 -8.271 1.00 0.61 C ATOM 986 C ASN A 59 4.653 1.077 -7.721 1.00 0.56 C ATOM 987 O ASN A 59 4.137 0.073 -7.273 1.00 0.52 O ATOM 988 CB ASN A 59 2.974 2.836 -7.145 1.00 0.64 C ATOM 989 CG ASN A 59 2.157 4.008 -7.692 1.00 0.83 C ATOM 990 OD1 ASN A 59 2.682 4.862 -8.377 1.00 1.42 O ATOM 991 ND2 ASN A 59 0.887 4.090 -7.409 1.00 1.29 N ATOM 0 H ASN A 59 1.933 1.650 -9.097 1.00 0.62 H new ATOM 0 HA ASN A 59 4.464 3.000 -8.682 1.00 0.61 H new ATOM 0 HB2 ASN A 59 2.310 2.081 -6.724 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.622 3.176 -6.337 1.00 0.64 H new ATOM 0 HD21 ASN A 59 0.335 4.871 -7.763 1.00 1.29 H new ATOM 0 HD22 ASN A 59 0.445 3.373 -6.834 1.00 1.29 H new ATOM 998 N GLU A 60 5.948 1.215 -7.763 1.00 0.62 N ATOM 999 CA GLU A 60 6.838 0.133 -7.258 1.00 0.65 C ATOM 1000 C GLU A 60 7.124 0.358 -5.772 1.00 0.58 C ATOM 1001 O GLU A 60 7.827 -0.407 -5.141 1.00 0.55 O ATOM 1002 CB GLU A 60 8.138 0.163 -8.062 1.00 0.84 C ATOM 1003 CG GLU A 60 7.818 -0.149 -9.528 1.00 0.97 C ATOM 1004 CD GLU A 60 9.096 -0.076 -10.364 1.00 1.52 C ATOM 1005 OE1 GLU A 60 10.149 0.139 -9.787 1.00 2.17 O ATOM 1006 OE2 GLU A 60 8.999 -0.234 -11.571 1.00 2.02 O ATOM 0 H GLU A 60 6.431 2.036 -8.128 1.00 0.62 H new ATOM 0 HA GLU A 60 6.359 -0.839 -7.374 1.00 0.65 H new ATOM 0 HB2 GLU A 60 8.611 1.141 -7.979 1.00 0.84 H new ATOM 0 HB3 GLU A 60 8.844 -0.567 -7.666 1.00 0.84 H new ATOM 0 HG2 GLU A 60 7.375 -1.142 -9.610 1.00 0.97 H new ATOM 0 HG3 GLU A 60 7.083 0.560 -9.908 1.00 0.97 H new ATOM 1013 N CYS A 61 6.578 1.400 -5.207 1.00 0.62 N ATOM 1014 CA CYS A 61 6.808 1.678 -3.761 1.00 0.65 C ATOM 1015 C CYS A 61 6.193 0.561 -2.915 1.00 0.53 C ATOM 1016 O CYS A 61 6.756 0.137 -1.925 1.00 0.57 O ATOM 1017 CB CYS A 61 6.159 3.012 -3.387 1.00 0.78 C ATOM 1018 SG CYS A 61 7.079 4.370 -4.152 1.00 1.56 S ATOM 0 H CYS A 61 5.980 2.073 -5.687 1.00 0.62 H new ATOM 0 HA CYS A 61 7.880 1.727 -3.572 1.00 0.65 H new ATOM 0 HB2 CYS A 61 5.121 3.029 -3.720 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.148 3.132 -2.304 1.00 0.78 H new ATOM 0 HG CYS A 61 6.525 5.502 -3.835 1.00 1.56 H new ATOM 1024 N PHE A 62 5.035 0.087 -3.287 1.00 0.46 N ATOM 1025 CA PHE A 62 4.381 -0.993 -2.493 1.00 0.40 C ATOM 1026 C PHE A 62 5.018 -2.341 -2.833 1.00 0.44 C ATOM 1027 O PHE A 62 5.488 -2.554 -3.934 1.00 0.55 O ATOM 1028 CB PHE A 62 2.887 -1.042 -2.823 1.00 0.44 C ATOM 1029 CG PHE A 62 2.251 0.283 -2.473 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.097 0.650 -1.131 1.00 1.27 C ATOM 1031 CD2 PHE A 62 1.826 1.148 -3.489 1.00 1.29 C ATOM 1032 CE1 PHE A 62 1.515 1.881 -0.805 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.245 2.379 -3.164 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.089 2.745 -1.822 1.00 0.59 C ATOM 0 H PHE A 62 4.514 0.400 -4.106 1.00 0.46 H new ATOM 0 HA PHE A 62 4.513 -0.786 -1.431 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.744 -1.258 -3.882 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.407 -1.847 -2.266 1.00 0.44 H new ATOM 0 HD1 PHE A 62 2.427 -0.016 -0.347 1.00 1.27 H new ATOM 0 HD2 PHE A 62 1.947 0.865 -4.524 1.00 1.29 H new ATOM 0 HE1 PHE A 62 1.395 2.164 0.230 1.00 1.32 H new ATOM 0 HE2 PHE A 62 0.917 3.046 -3.948 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.640 3.694 -1.570 1.00 0.59 H new ATOM 1044 N VAL A 63 5.030 -3.251 -1.892 1.00 0.46 N ATOM 1045 CA VAL A 63 5.628 -4.600 -2.133 1.00 0.55 C ATOM 1046 C VAL A 63 4.541 -5.660 -1.963 1.00 0.45 C ATOM 1047 O VAL A 63 3.861 -5.709 -0.958 1.00 0.45 O ATOM 1048 CB VAL A 63 6.741 -4.851 -1.111 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.383 -6.215 -1.380 1.00 0.85 C ATOM 1050 CG2 VAL A 63 7.799 -3.737 -1.206 1.00 0.91 C ATOM 0 H VAL A 63 4.647 -3.115 -0.957 1.00 0.46 H new ATOM 0 HA VAL A 63 6.041 -4.648 -3.141 1.00 0.55 H new ATOM 0 HB VAL A 63 6.319 -4.848 -0.106 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.175 -6.394 -0.653 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.628 -6.996 -1.293 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.804 -6.227 -2.385 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.588 -3.921 -0.477 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.227 -3.726 -2.208 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.332 -2.774 -1.000 1.00 0.91 H new ATOM 1060 N LYS A 64 4.372 -6.514 -2.937 1.00 0.53 N ATOM 1061 CA LYS A 64 3.327 -7.573 -2.830 1.00 0.56 C ATOM 1062 C LYS A 64 3.968 -8.831 -2.236 1.00 0.54 C ATOM 1063 O LYS A 64 4.959 -9.329 -2.732 1.00 0.77 O ATOM 1064 CB LYS A 64 2.768 -7.871 -4.226 1.00 0.84 C ATOM 1065 CG LYS A 64 1.496 -8.715 -4.106 1.00 0.94 C ATOM 1066 CD LYS A 64 1.068 -9.208 -5.492 1.00 1.11 C ATOM 1067 CE LYS A 64 0.652 -8.028 -6.378 1.00 1.05 C ATOM 1068 NZ LYS A 64 1.865 -7.395 -6.969 1.00 1.81 N ATOM 0 H LYS A 64 4.912 -6.524 -3.802 1.00 0.53 H new ATOM 0 HA LYS A 64 2.511 -7.242 -2.187 1.00 0.56 H new ATOM 0 HB2 LYS A 64 2.549 -6.939 -4.747 1.00 0.84 H new ATOM 0 HB3 LYS A 64 3.512 -8.401 -4.820 1.00 0.84 H new ATOM 0 HG2 LYS A 64 1.673 -9.565 -3.446 1.00 0.94 H new ATOM 0 HG3 LYS A 64 0.697 -8.124 -3.657 1.00 0.94 H new ATOM 0 HD2 LYS A 64 1.889 -9.750 -5.961 1.00 1.11 H new ATOM 0 HD3 LYS A 64 0.238 -9.908 -5.395 1.00 1.11 H new ATOM 0 HE2 LYS A 64 -0.014 -8.372 -7.170 1.00 1.05 H new ATOM 0 HE3 LYS A 64 0.097 -7.297 -5.790 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 1.965 -6.427 -6.603 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 2.706 -7.950 -6.713 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 1.772 -7.366 -8.004 1.00 1.81 H new ATOM 1082 N VAL A 65 3.413 -9.334 -1.163 1.00 0.50 N ATOM 1083 CA VAL A 65 3.978 -10.550 -0.494 1.00 0.57 C ATOM 1084 C VAL A 65 2.847 -11.562 -0.264 1.00 0.63 C ATOM 1085 O VAL A 65 2.329 -11.674 0.824 1.00 0.84 O ATOM 1086 CB VAL A 65 4.596 -10.147 0.867 1.00 0.69 C ATOM 1087 CG1 VAL A 65 6.112 -9.970 0.734 1.00 1.28 C ATOM 1088 CG2 VAL A 65 3.989 -8.822 1.344 1.00 0.69 C ATOM 0 H VAL A 65 2.581 -8.950 -0.715 1.00 0.50 H new ATOM 0 HA VAL A 65 4.749 -10.995 -1.123 1.00 0.57 H new ATOM 0 HB VAL A 65 4.382 -10.937 1.587 1.00 0.69 H new ATOM 0 HG11 VAL A 65 6.531 -9.687 1.699 1.00 1.28 H new ATOM 0 HG12 VAL A 65 6.560 -10.907 0.405 1.00 1.28 H new ATOM 0 HG13 VAL A 65 6.324 -9.190 0.003 1.00 1.28 H new ATOM 0 HG21 VAL A 65 4.428 -8.545 2.302 1.00 0.69 H new ATOM 0 HG22 VAL A 65 4.195 -8.042 0.611 1.00 0.69 H new ATOM 0 HG23 VAL A 65 2.911 -8.936 1.459 1.00 0.69 H new ATOM 1098 N PRO A 66 2.468 -12.291 -1.278 1.00 0.81 N ATOM 1099 CA PRO A 66 1.372 -13.300 -1.175 1.00 0.96 C ATOM 1100 C PRO A 66 1.711 -14.428 -0.193 1.00 0.95 C ATOM 1101 O PRO A 66 2.861 -14.772 -0.002 1.00 1.13 O ATOM 1102 CB PRO A 66 1.228 -13.852 -2.607 1.00 1.25 C ATOM 1103 CG PRO A 66 1.941 -12.874 -3.491 1.00 1.65 C ATOM 1104 CD PRO A 66 3.038 -12.246 -2.632 1.00 1.18 C ATOM 0 HA PRO A 66 0.453 -12.854 -0.794 1.00 0.96 H new ATOM 0 HB2 PRO A 66 1.667 -14.846 -2.689 1.00 1.25 H new ATOM 0 HB3 PRO A 66 0.179 -13.942 -2.889 1.00 1.25 H new ATOM 0 HG2 PRO A 66 2.366 -13.374 -4.361 1.00 1.65 H new ATOM 0 HG3 PRO A 66 1.255 -12.114 -3.864 1.00 1.65 H new ATOM 0 HD2 PRO A 66 3.970 -12.807 -2.696 1.00 1.18 H new ATOM 0 HD3 PRO A 66 3.258 -11.225 -2.943 1.00 1.18 H new ATOM 1112 N ARG A 67 0.718 -15.023 0.411 1.00 1.01 N ATOM 1113 CA ARG A 67 0.996 -16.142 1.351 1.00 1.04 C ATOM 1114 C ARG A 67 1.424 -17.355 0.517 1.00 1.22 C ATOM 1115 O ARG A 67 1.680 -17.243 -0.666 1.00 1.43 O ATOM 1116 CB ARG A 67 -0.260 -16.479 2.183 1.00 1.12 C ATOM 1117 CG ARG A 67 -1.506 -15.882 1.527 1.00 1.26 C ATOM 1118 CD ARG A 67 -2.755 -16.332 2.290 1.00 1.35 C ATOM 1119 NE ARG A 67 -2.552 -16.119 3.752 1.00 2.34 N ATOM 1120 CZ ARG A 67 -3.571 -16.146 4.566 1.00 3.01 C ATOM 1121 NH1 ARG A 67 -4.775 -16.334 4.101 1.00 3.04 N ATOM 1122 NH2 ARG A 67 -3.384 -15.982 5.848 1.00 4.09 N ATOM 0 H ARG A 67 -0.267 -14.784 0.294 1.00 1.01 H new ATOM 0 HA ARG A 67 1.785 -15.860 2.048 1.00 1.04 H new ATOM 0 HB2 ARG A 67 -0.368 -17.560 2.269 1.00 1.12 H new ATOM 0 HB3 ARG A 67 -0.150 -16.088 3.195 1.00 1.12 H new ATOM 0 HG2 ARG A 67 -1.442 -14.794 1.524 1.00 1.26 H new ATOM 0 HG3 ARG A 67 -1.569 -16.200 0.486 1.00 1.26 H new ATOM 0 HD2 ARG A 67 -3.624 -15.771 1.948 1.00 1.35 H new ATOM 0 HD3 ARG A 67 -2.956 -17.384 2.090 1.00 1.35 H new ATOM 0 HE ARG A 67 -1.614 -15.952 4.116 1.00 2.34 H new ATOM 0 HH11 ARG A 67 -4.921 -16.460 3.099 1.00 3.04 H new ATOM 0 HH12 ARG A 67 -5.571 -16.355 4.739 1.00 3.04 H new ATOM 0 HH21 ARG A 67 -2.443 -15.833 6.211 1.00 4.09 H new ATOM 0 HH22 ARG A 67 -4.179 -16.003 6.486 1.00 4.09 H new ATOM 1136 N ASP A 68 1.498 -18.510 1.113 1.00 1.37 N ATOM 1137 CA ASP A 68 1.902 -19.717 0.341 1.00 1.69 C ATOM 1138 C ASP A 68 0.778 -20.089 -0.628 1.00 1.82 C ATOM 1139 O ASP A 68 -0.386 -19.871 -0.355 1.00 1.72 O ATOM 1140 CB ASP A 68 2.150 -20.878 1.304 1.00 2.04 C ATOM 1141 CG ASP A 68 3.419 -20.606 2.115 1.00 2.36 C ATOM 1142 OD1 ASP A 68 4.214 -19.791 1.677 1.00 2.84 O ATOM 1143 OD2 ASP A 68 3.569 -21.213 3.162 1.00 2.80 O ATOM 0 H ASP A 68 1.297 -18.671 2.100 1.00 1.37 H new ATOM 0 HA ASP A 68 2.815 -19.509 -0.217 1.00 1.69 H new ATOM 0 HB2 ASP A 68 1.297 -20.999 1.972 1.00 2.04 H new ATOM 0 HB3 ASP A 68 2.254 -21.810 0.748 1.00 2.04 H new ATOM 1148 N ASP A 69 1.110 -20.650 -1.759 1.00 2.20 N ATOM 1149 CA ASP A 69 0.052 -21.033 -2.737 1.00 2.51 C ATOM 1150 C ASP A 69 -0.752 -22.214 -2.190 1.00 2.64 C ATOM 1151 O ASP A 69 -1.863 -22.468 -2.612 1.00 2.81 O ATOM 1152 CB ASP A 69 0.701 -21.433 -4.065 1.00 2.99 C ATOM 1153 CG ASP A 69 1.290 -20.194 -4.740 1.00 3.02 C ATOM 1154 OD1 ASP A 69 0.873 -19.101 -4.393 1.00 3.46 O ATOM 1155 OD2 ASP A 69 2.146 -20.359 -5.593 1.00 3.02 O ATOM 0 H ASP A 69 2.066 -20.859 -2.048 1.00 2.20 H new ATOM 0 HA ASP A 69 -0.613 -20.184 -2.897 1.00 2.51 H new ATOM 0 HB2 ASP A 69 1.483 -22.172 -3.891 1.00 2.99 H new ATOM 0 HB3 ASP A 69 -0.038 -21.899 -4.717 1.00 2.99 H new ATOM 1160 N LYS A 70 -0.197 -22.945 -1.261 1.00 2.71 N ATOM 1161 CA LYS A 70 -0.929 -24.116 -0.698 1.00 3.01 C ATOM 1162 C LYS A 70 -2.240 -23.654 -0.057 1.00 2.88 C ATOM 1163 O LYS A 70 -3.261 -24.302 -0.178 1.00 3.27 O ATOM 1164 CB LYS A 70 -0.062 -24.791 0.365 1.00 3.24 C ATOM 1165 CG LYS A 70 1.127 -25.480 -0.307 1.00 3.55 C ATOM 1166 CD LYS A 70 1.992 -26.154 0.760 1.00 3.99 C ATOM 1167 CE LYS A 70 3.182 -26.844 0.091 1.00 4.15 C ATOM 1168 NZ LYS A 70 3.941 -25.850 -0.718 1.00 4.50 N ATOM 0 H LYS A 70 0.730 -22.782 -0.868 1.00 2.71 H new ATOM 0 HA LYS A 70 -1.149 -24.820 -1.501 1.00 3.01 H new ATOM 0 HB2 LYS A 70 0.291 -24.052 1.084 1.00 3.24 H new ATOM 0 HB3 LYS A 70 -0.652 -25.520 0.921 1.00 3.24 H new ATOM 0 HG2 LYS A 70 0.774 -26.220 -1.026 1.00 3.55 H new ATOM 0 HG3 LYS A 70 1.717 -24.751 -0.863 1.00 3.55 H new ATOM 0 HD2 LYS A 70 2.344 -25.414 1.479 1.00 3.99 H new ATOM 0 HD3 LYS A 70 1.401 -26.882 1.316 1.00 3.99 H new ATOM 0 HE2 LYS A 70 3.832 -27.286 0.846 1.00 4.15 H new ATOM 0 HE3 LYS A 70 2.834 -27.657 -0.546 1.00 4.15 H new ATOM 0 HZ1 LYS A 70 4.954 -26.083 -0.692 1.00 4.50 H new ATOM 0 HZ2 LYS A 70 3.605 -25.874 -1.702 1.00 4.50 H new ATOM 0 HZ3 LYS A 70 3.794 -24.898 -0.325 1.00 4.50 H new ATOM 1182 N LYS A 71 -2.223 -22.542 0.626 1.00 2.51 N ATOM 1183 CA LYS A 71 -3.461 -22.042 1.274 1.00 2.52 C ATOM 1184 C LYS A 71 -4.314 -21.307 0.225 1.00 2.41 C ATOM 1185 O LYS A 71 -3.843 -20.377 -0.396 1.00 2.53 O ATOM 1186 CB LYS A 71 -3.066 -21.069 2.386 1.00 2.71 C ATOM 1187 CG LYS A 71 -4.325 -20.515 3.046 1.00 3.18 C ATOM 1188 CD LYS A 71 -3.943 -19.673 4.266 1.00 3.84 C ATOM 1189 CE LYS A 71 -5.207 -19.284 5.035 1.00 4.55 C ATOM 1190 NZ LYS A 71 -4.827 -18.702 6.353 1.00 5.12 N ATOM 0 H LYS A 71 -1.398 -21.957 0.762 1.00 2.51 H new ATOM 0 HA LYS A 71 -4.034 -22.870 1.691 1.00 2.52 H new ATOM 0 HB2 LYS A 71 -2.448 -21.577 3.126 1.00 2.71 H new ATOM 0 HB3 LYS A 71 -2.468 -20.255 1.976 1.00 2.71 H new ATOM 0 HG2 LYS A 71 -4.883 -19.907 2.334 1.00 3.18 H new ATOM 0 HG3 LYS A 71 -4.979 -21.333 3.348 1.00 3.18 H new ATOM 0 HD2 LYS A 71 -3.270 -20.236 4.913 1.00 3.84 H new ATOM 0 HD3 LYS A 71 -3.407 -18.778 3.950 1.00 3.84 H new ATOM 0 HE2 LYS A 71 -5.787 -18.562 4.460 1.00 4.55 H new ATOM 0 HE3 LYS A 71 -5.841 -20.159 5.181 1.00 4.55 H new ATOM 0 HZ1 LYS A 71 -5.238 -19.275 7.117 1.00 5.12 H new ATOM 0 HZ2 LYS A 71 -3.791 -18.695 6.444 1.00 5.12 H new ATOM 0 HZ3 LYS A 71 -5.187 -17.728 6.419 1.00 5.12 H new ATOM 1204 N PRO A 72 -5.551 -21.699 0.013 1.00 2.64 N ATOM 1205 CA PRO A 72 -6.431 -21.029 -0.988 1.00 2.88 C ATOM 1206 C PRO A 72 -7.081 -19.758 -0.428 1.00 2.93 C ATOM 1207 O PRO A 72 -6.604 -19.171 0.523 1.00 3.55 O ATOM 1208 CB PRO A 72 -7.487 -22.097 -1.273 1.00 3.42 C ATOM 1209 CG PRO A 72 -7.654 -22.795 0.035 1.00 3.63 C ATOM 1210 CD PRO A 72 -6.263 -22.810 0.681 1.00 3.15 C ATOM 0 HA PRO A 72 -5.885 -20.697 -1.871 1.00 2.88 H new ATOM 0 HB2 PRO A 72 -8.423 -21.653 -1.611 1.00 3.42 H new ATOM 0 HB3 PRO A 72 -7.160 -22.784 -2.053 1.00 3.42 H new ATOM 0 HG2 PRO A 72 -8.373 -22.274 0.667 1.00 3.63 H new ATOM 0 HG3 PRO A 72 -8.030 -23.808 -0.108 1.00 3.63 H new ATOM 0 HD2 PRO A 72 -6.321 -22.657 1.759 1.00 3.15 H new ATOM 0 HD3 PRO A 72 -5.758 -23.762 0.521 1.00 3.15 H new ATOM 1218 N GLY A 73 -8.174 -19.340 -1.005 1.00 2.75 N ATOM 1219 CA GLY A 73 -8.868 -18.121 -0.504 1.00 3.15 C ATOM 1220 C GLY A 73 -8.008 -16.880 -0.756 1.00 2.55 C ATOM 1221 O GLY A 73 -7.625 -16.588 -1.871 1.00 2.83 O ATOM 0 H GLY A 73 -8.617 -19.792 -1.805 1.00 2.75 H new ATOM 0 HA2 GLY A 73 -9.831 -18.012 -1.002 1.00 3.15 H new ATOM 0 HA3 GLY A 73 -9.070 -18.222 0.562 1.00 3.15 H new ATOM 1225 N LYS A 74 -7.717 -16.144 0.279 1.00 2.13 N ATOM 1226 CA LYS A 74 -6.897 -14.911 0.126 1.00 1.96 C ATOM 1227 C LYS A 74 -5.504 -15.276 -0.388 1.00 1.78 C ATOM 1228 O LYS A 74 -4.930 -16.275 -0.002 1.00 2.25 O ATOM 1229 CB LYS A 74 -6.778 -14.229 1.486 1.00 2.32 C ATOM 1230 CG LYS A 74 -8.148 -13.678 1.895 1.00 2.88 C ATOM 1231 CD LYS A 74 -8.105 -13.189 3.351 1.00 3.39 C ATOM 1232 CE LYS A 74 -8.399 -14.348 4.316 1.00 4.03 C ATOM 1233 NZ LYS A 74 -9.873 -14.510 4.462 1.00 4.36 N ATOM 0 H LYS A 74 -8.015 -16.346 1.233 1.00 2.13 H new ATOM 0 HA LYS A 74 -7.372 -14.238 -0.588 1.00 1.96 H new ATOM 0 HB2 LYS A 74 -6.421 -14.939 2.232 1.00 2.32 H new ATOM 0 HB3 LYS A 74 -6.047 -13.422 1.439 1.00 2.32 H new ATOM 0 HG2 LYS A 74 -8.431 -12.858 1.235 1.00 2.88 H new ATOM 0 HG3 LYS A 74 -8.908 -14.452 1.785 1.00 2.88 H new ATOM 0 HD2 LYS A 74 -7.125 -12.765 3.570 1.00 3.39 H new ATOM 0 HD3 LYS A 74 -8.836 -12.393 3.495 1.00 3.39 H new ATOM 0 HE2 LYS A 74 -7.956 -15.270 3.939 1.00 4.03 H new ATOM 0 HE3 LYS A 74 -7.946 -14.150 5.288 1.00 4.03 H new ATOM 0 HZ1 LYS A 74 -10.073 -15.294 5.115 1.00 4.36 H new ATOM 0 HZ2 LYS A 74 -10.283 -13.632 4.840 1.00 4.36 H new ATOM 0 HZ3 LYS A 74 -10.293 -14.717 3.533 1.00 4.36 H new ATOM 1247 N GLY A 75 -4.955 -14.473 -1.260 1.00 1.86 N ATOM 1248 CA GLY A 75 -3.598 -14.774 -1.806 1.00 2.03 C ATOM 1249 C GLY A 75 -2.882 -13.473 -2.177 1.00 1.56 C ATOM 1250 O GLY A 75 -2.168 -13.411 -3.158 1.00 1.89 O ATOM 0 H GLY A 75 -5.387 -13.621 -1.618 1.00 1.86 H new ATOM 0 HA2 GLY A 75 -3.013 -15.323 -1.067 1.00 2.03 H new ATOM 0 HA3 GLY A 75 -3.684 -15.414 -2.684 1.00 2.03 H new ATOM 1254 N SER A 76 -3.064 -12.432 -1.410 1.00 1.22 N ATOM 1255 CA SER A 76 -2.383 -11.144 -1.740 1.00 0.88 C ATOM 1256 C SER A 76 -2.242 -10.279 -0.482 1.00 0.69 C ATOM 1257 O SER A 76 -3.176 -10.111 0.276 1.00 0.93 O ATOM 1258 CB SER A 76 -3.213 -10.395 -2.786 1.00 1.12 C ATOM 1259 OG SER A 76 -2.991 -10.977 -4.064 1.00 1.80 O ATOM 0 H SER A 76 -3.650 -12.416 -0.575 1.00 1.22 H new ATOM 0 HA SER A 76 -1.388 -11.354 -2.133 1.00 0.88 H new ATOM 0 HB2 SER A 76 -4.271 -10.443 -2.530 1.00 1.12 H new ATOM 0 HB3 SER A 76 -2.936 -9.341 -2.800 1.00 1.12 H new ATOM 0 HG SER A 76 -2.584 -11.862 -3.954 1.00 1.80 H new ATOM 1265 N TYR A 77 -1.082 -9.707 -0.277 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.854 -8.816 0.904 1.00 0.46 C ATOM 1267 C TYR A 77 -0.170 -7.534 0.421 1.00 0.38 C ATOM 1268 O TYR A 77 0.488 -7.522 -0.600 1.00 0.50 O ATOM 1269 CB TYR A 77 0.053 -9.501 1.937 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.714 -10.530 2.749 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -1.825 -10.148 3.515 1.00 1.39 C ATOM 1272 CD2 TYR A 77 -0.294 -11.868 2.757 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -2.509 -11.099 4.282 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -0.979 -12.817 3.521 1.00 1.32 C ATOM 1275 CZ TYR A 77 -2.086 -12.434 4.285 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.759 -13.369 5.043 1.00 0.90 O ATOM 0 H TYR A 77 -0.272 -9.821 -0.886 1.00 0.60 H new ATOM 0 HA TYR A 77 -1.813 -8.595 1.372 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.887 -9.984 1.428 1.00 0.65 H new ATOM 0 HB3 TYR A 77 0.478 -8.751 2.604 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -2.153 -9.119 3.513 1.00 1.39 H new ATOM 0 HD2 TYR A 77 0.562 -12.166 2.170 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -3.364 -10.803 4.872 1.00 1.38 H new ATOM 0 HE2 TYR A 77 -0.653 -13.847 3.521 1.00 1.32 H new ATOM 0 HH TYR A 77 -3.702 -13.112 5.118 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.318 -6.458 1.152 1.00 0.32 N ATOM 1287 CA TRP A 78 0.322 -5.165 0.757 1.00 0.31 C ATOM 1288 C TRP A 78 1.151 -4.634 1.929 1.00 0.32 C ATOM 1289 O TRP A 78 0.708 -4.634 3.062 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.768 -4.154 0.402 1.00 0.34 C ATOM 1291 CG TRP A 78 -1.456 -4.585 -0.854 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.731 -5.036 -0.928 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.928 -4.628 -2.213 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -3.024 -5.334 -2.246 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.945 -5.102 -3.076 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.319 -4.300 -2.776 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.732 -5.244 -4.449 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.536 -4.445 -4.155 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.486 -4.915 -4.989 1.00 0.46 C ATOM 0 H TRP A 78 -0.861 -6.419 2.015 1.00 0.32 H new ATOM 0 HA TRP A 78 0.970 -5.321 -0.105 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.488 -4.078 1.217 1.00 0.34 H new ATOM 0 HB3 TRP A 78 -0.332 -3.164 0.269 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -3.408 -5.145 -0.094 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -3.927 -5.683 -2.566 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.114 -3.934 -2.143 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -2.524 -5.605 -5.088 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.498 -4.192 -4.576 1.00 0.45 H new ATOM 0 HH2 TRP A 78 -0.311 -5.023 -6.049 1.00 0.46 H new ATOM 1310 N THR A 79 2.351 -4.184 1.672 1.00 0.33 N ATOM 1311 CA THR A 79 3.204 -3.658 2.779 1.00 0.37 C ATOM 1312 C THR A 79 4.290 -2.741 2.206 1.00 0.40 C ATOM 1313 O THR A 79 4.557 -2.743 1.021 1.00 0.45 O ATOM 1314 CB THR A 79 3.850 -4.829 3.525 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.483 -4.348 4.701 1.00 0.55 O ATOM 1316 CG2 THR A 79 4.885 -5.512 2.627 1.00 0.56 C ATOM 0 H THR A 79 2.777 -4.158 0.746 1.00 0.33 H new ATOM 0 HA THR A 79 2.587 -3.086 3.472 1.00 0.37 H new ATOM 0 HB THR A 79 3.080 -5.552 3.795 1.00 0.49 H new ATOM 0 HG1 THR A 79 4.895 -5.097 5.180 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.340 -6.344 3.164 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.396 -5.885 1.727 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.656 -4.794 2.349 1.00 0.56 H new ATOM 1324 N LEU A 80 4.921 -1.955 3.042 1.00 0.45 N ATOM 1325 CA LEU A 80 5.991 -1.035 2.553 1.00 0.53 C ATOM 1326 C LEU A 80 7.349 -1.733 2.657 1.00 0.74 C ATOM 1327 O LEU A 80 7.763 -2.151 3.719 1.00 1.42 O ATOM 1328 CB LEU A 80 6.015 0.228 3.420 1.00 0.54 C ATOM 1329 CG LEU A 80 4.712 1.016 3.243 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.671 2.153 4.269 1.00 0.86 C ATOM 1331 CD2 LEU A 80 4.623 1.598 1.821 1.00 0.81 C ATOM 0 H LEU A 80 4.740 -1.911 4.045 1.00 0.45 H new ATOM 0 HA LEU A 80 5.790 -0.768 1.516 1.00 0.53 H new ATOM 0 HB2 LEU A 80 6.145 -0.044 4.468 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.866 0.851 3.144 1.00 0.54 H new ATOM 0 HG LEU A 80 3.866 0.346 3.396 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.747 2.718 4.149 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.714 1.737 5.275 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.523 2.814 4.113 1.00 0.86 H new ATOM 0 HD21 LEU A 80 3.692 2.154 1.713 1.00 0.81 H new ATOM 0 HD22 LEU A 80 5.467 2.266 1.648 1.00 0.81 H new ATOM 0 HD23 LEU A 80 4.647 0.787 1.094 1.00 0.81 H new ATOM 1343 N ASP A 81 8.047 -1.860 1.562 1.00 1.02 N ATOM 1344 CA ASP A 81 9.377 -2.528 1.607 1.00 1.23 C ATOM 1345 C ASP A 81 10.152 -2.216 0.316 1.00 1.68 C ATOM 1346 O ASP A 81 9.569 -1.889 -0.698 1.00 2.48 O ATOM 1347 CB ASP A 81 9.167 -4.046 1.762 1.00 2.21 C ATOM 1348 CG ASP A 81 9.121 -4.424 3.246 1.00 3.06 C ATOM 1349 OD1 ASP A 81 10.082 -4.138 3.941 1.00 3.59 O ATOM 1350 OD2 ASP A 81 8.124 -4.993 3.662 1.00 3.72 O ATOM 0 H ASP A 81 7.755 -1.531 0.642 1.00 1.02 H new ATOM 0 HA ASP A 81 9.956 -2.160 2.454 1.00 1.23 H new ATOM 0 HB2 ASP A 81 8.239 -4.344 1.274 1.00 2.21 H new ATOM 0 HB3 ASP A 81 9.975 -4.585 1.267 1.00 2.21 H new ATOM 1355 N PRO A 82 11.458 -2.319 0.338 1.00 1.94 N ATOM 1356 CA PRO A 82 12.296 -2.056 -0.866 1.00 2.93 C ATOM 1357 C PRO A 82 12.369 -3.289 -1.769 1.00 3.37 C ATOM 1358 O PRO A 82 11.576 -4.202 -1.649 1.00 3.55 O ATOM 1359 CB PRO A 82 13.665 -1.753 -0.259 1.00 3.39 C ATOM 1360 CG PRO A 82 13.726 -2.636 0.943 1.00 3.08 C ATOM 1361 CD PRO A 82 12.295 -2.687 1.498 1.00 2.16 C ATOM 0 HA PRO A 82 11.906 -1.255 -1.494 1.00 2.93 H new ATOM 0 HB2 PRO A 82 14.471 -1.974 -0.959 1.00 3.39 H new ATOM 0 HB3 PRO A 82 13.758 -0.701 0.012 1.00 3.39 H new ATOM 0 HG2 PRO A 82 14.078 -3.633 0.678 1.00 3.08 H new ATOM 0 HG3 PRO A 82 14.419 -2.239 1.685 1.00 3.08 H new ATOM 0 HD2 PRO A 82 12.046 -3.680 1.873 1.00 2.16 H new ATOM 0 HD3 PRO A 82 12.161 -1.991 2.326 1.00 2.16 H new ATOM 1369 N ASP A 83 13.323 -3.341 -2.656 1.00 3.97 N ATOM 1370 CA ASP A 83 13.443 -4.537 -3.535 1.00 4.69 C ATOM 1371 C ASP A 83 14.077 -5.660 -2.715 1.00 4.54 C ATOM 1372 O ASP A 83 15.135 -6.163 -3.039 1.00 5.25 O ATOM 1373 CB ASP A 83 14.332 -4.209 -4.736 1.00 5.64 C ATOM 1374 CG ASP A 83 13.620 -3.204 -5.642 1.00 6.30 C ATOM 1375 OD1 ASP A 83 12.410 -3.094 -5.538 1.00 6.82 O ATOM 1376 OD2 ASP A 83 14.299 -2.556 -6.423 1.00 6.58 O ATOM 0 H ASP A 83 14.020 -2.613 -2.810 1.00 3.97 H new ATOM 0 HA ASP A 83 12.462 -4.840 -3.901 1.00 4.69 H new ATOM 0 HB2 ASP A 83 15.282 -3.798 -4.396 1.00 5.64 H new ATOM 0 HB3 ASP A 83 14.559 -5.118 -5.292 1.00 5.64 H new ATOM 1381 N SER A 84 13.442 -6.038 -1.638 1.00 3.92 N ATOM 1382 CA SER A 84 14.001 -7.109 -0.765 1.00 4.33 C ATOM 1383 C SER A 84 13.624 -8.486 -1.315 1.00 5.33 C ATOM 1384 O SER A 84 13.142 -9.340 -0.598 1.00 6.00 O ATOM 1385 CB SER A 84 13.437 -6.950 0.648 1.00 4.14 C ATOM 1386 OG SER A 84 12.034 -6.731 0.572 1.00 4.59 O ATOM 0 H SER A 84 12.554 -5.647 -1.324 1.00 3.92 H new ATOM 0 HA SER A 84 15.087 -7.024 -0.741 1.00 4.33 H new ATOM 0 HB2 SER A 84 13.646 -7.842 1.238 1.00 4.14 H new ATOM 0 HB3 SER A 84 13.920 -6.114 1.153 1.00 4.14 H new ATOM 0 HG SER A 84 11.669 -6.630 1.476 1.00 4.59 H new ATOM 1392 N TYR A 85 13.835 -8.705 -2.581 1.00 5.76 N ATOM 1393 CA TYR A 85 13.482 -10.026 -3.173 1.00 6.92 C ATOM 1394 C TYR A 85 14.437 -11.102 -2.637 1.00 7.49 C ATOM 1395 O TYR A 85 14.010 -12.090 -2.071 1.00 8.23 O ATOM 1396 CB TYR A 85 13.592 -9.934 -4.706 1.00 7.50 C ATOM 1397 CG TYR A 85 12.588 -10.859 -5.367 1.00 8.21 C ATOM 1398 CD1 TYR A 85 12.599 -12.232 -5.082 1.00 8.68 C ATOM 1399 CD2 TYR A 85 11.646 -10.343 -6.269 1.00 8.68 C ATOM 1400 CE1 TYR A 85 11.670 -13.083 -5.695 1.00 9.57 C ATOM 1401 CE2 TYR A 85 10.719 -11.195 -6.881 1.00 9.56 C ATOM 1402 CZ TYR A 85 10.732 -12.564 -6.595 1.00 9.97 C ATOM 1403 OH TYR A 85 9.818 -13.403 -7.198 1.00 11.00 O ATOM 0 H TYR A 85 14.236 -8.029 -3.231 1.00 5.76 H new ATOM 0 HA TYR A 85 12.462 -10.295 -2.900 1.00 6.92 H new ATOM 0 HB2 TYR A 85 13.417 -8.908 -5.028 1.00 7.50 H new ATOM 0 HB3 TYR A 85 14.601 -10.199 -5.021 1.00 7.50 H new ATOM 0 HD1 TYR A 85 13.324 -12.634 -4.390 1.00 8.68 H new ATOM 0 HD2 TYR A 85 11.636 -9.286 -6.492 1.00 8.68 H new ATOM 0 HE1 TYR A 85 11.678 -14.140 -5.473 1.00 9.57 H new ATOM 0 HE2 TYR A 85 9.994 -10.795 -7.574 1.00 9.56 H new ATOM 0 HH TYR A 85 9.239 -12.882 -7.793 1.00 11.00 H new ATOM 1413 N ASN A 86 15.722 -10.924 -2.825 1.00 7.43 N ATOM 1414 CA ASN A 86 16.716 -11.940 -2.349 1.00 8.27 C ATOM 1415 C ASN A 86 17.525 -11.395 -1.170 1.00 8.09 C ATOM 1416 O ASN A 86 18.593 -11.885 -0.866 1.00 8.83 O ATOM 1417 CB ASN A 86 17.677 -12.278 -3.489 1.00 8.92 C ATOM 1418 CG ASN A 86 16.924 -13.023 -4.594 1.00 9.54 C ATOM 1419 OD1 ASN A 86 16.794 -12.528 -5.695 1.00 9.83 O ATOM 1420 ND2 ASN A 86 16.425 -14.202 -4.345 1.00 10.00 N ATOM 0 H ASN A 86 16.129 -10.113 -3.291 1.00 7.43 H new ATOM 0 HA ASN A 86 16.175 -12.830 -2.028 1.00 8.27 H new ATOM 0 HB2 ASN A 86 18.118 -11.365 -3.888 1.00 8.92 H new ATOM 0 HB3 ASN A 86 18.497 -12.892 -3.116 1.00 8.92 H new ATOM 0 HD21 ASN A 86 15.925 -14.709 -5.075 1.00 10.00 H new ATOM 0 HD22 ASN A 86 16.535 -14.617 -3.420 1.00 10.00 H new ATOM 1427 N MET A 87 17.034 -10.393 -0.499 1.00 7.32 N ATOM 1428 CA MET A 87 17.797 -9.844 0.659 1.00 7.47 C ATOM 1429 C MET A 87 17.794 -10.869 1.791 1.00 8.26 C ATOM 1430 O MET A 87 18.261 -10.613 2.883 1.00 8.47 O ATOM 1431 CB MET A 87 17.172 -8.528 1.139 1.00 6.75 C ATOM 1432 CG MET A 87 17.557 -7.391 0.188 1.00 6.65 C ATOM 1433 SD MET A 87 19.331 -7.050 0.338 1.00 7.12 S ATOM 1434 CE MET A 87 19.686 -6.817 -1.423 1.00 7.20 C ATOM 0 H MET A 87 16.146 -9.932 -0.698 1.00 7.32 H new ATOM 0 HA MET A 87 18.822 -9.642 0.350 1.00 7.47 H new ATOM 0 HB2 MET A 87 16.087 -8.625 1.183 1.00 6.75 H new ATOM 0 HB3 MET A 87 17.513 -8.300 2.149 1.00 6.75 H new ATOM 0 HG2 MET A 87 17.314 -7.664 -0.839 1.00 6.65 H new ATOM 0 HG3 MET A 87 16.983 -6.495 0.424 1.00 6.65 H new ATOM 0 HE1 MET A 87 20.688 -6.405 -1.541 1.00 7.20 H new ATOM 0 HE2 MET A 87 19.626 -7.777 -1.936 1.00 7.20 H new ATOM 0 HE3 MET A 87 18.958 -6.129 -1.853 1.00 7.20 H new ATOM 1444 N PHE A 88 17.271 -12.034 1.530 1.00 8.91 N ATOM 1445 CA PHE A 88 17.234 -13.095 2.578 1.00 9.87 C ATOM 1446 C PHE A 88 18.665 -13.418 3.011 1.00 10.04 C ATOM 1447 O PHE A 88 18.943 -13.625 4.176 1.00 10.49 O ATOM 1448 CB PHE A 88 16.595 -14.358 1.997 1.00 10.68 C ATOM 1449 CG PHE A 88 15.100 -14.175 1.896 1.00 10.96 C ATOM 1450 CD1 PHE A 88 14.559 -13.468 0.817 1.00 11.04 C ATOM 1451 CD2 PHE A 88 14.256 -14.719 2.871 1.00 11.40 C ATOM 1452 CE1 PHE A 88 13.174 -13.302 0.712 1.00 11.55 C ATOM 1453 CE2 PHE A 88 12.870 -14.553 2.767 1.00 11.89 C ATOM 1454 CZ PHE A 88 12.329 -13.845 1.688 1.00 11.97 C ATOM 0 H PHE A 88 16.866 -12.299 0.632 1.00 8.91 H new ATOM 0 HA PHE A 88 16.654 -12.747 3.433 1.00 9.87 H new ATOM 0 HB2 PHE A 88 17.012 -14.568 1.012 1.00 10.68 H new ATOM 0 HB3 PHE A 88 16.824 -15.216 2.629 1.00 10.68 H new ATOM 0 HD1 PHE A 88 15.211 -13.050 0.064 1.00 11.04 H new ATOM 0 HD2 PHE A 88 14.674 -15.266 3.703 1.00 11.40 H new ATOM 0 HE1 PHE A 88 12.757 -12.756 -0.121 1.00 11.55 H new ATOM 0 HE2 PHE A 88 12.218 -14.971 3.520 1.00 11.89 H new ATOM 0 HZ PHE A 88 11.260 -13.717 1.608 1.00 11.97 H new ATOM 1464 N GLU A 89 19.573 -13.464 2.072 1.00 9.91 N ATOM 1465 CA GLU A 89 20.995 -13.778 2.399 1.00 10.34 C ATOM 1466 C GLU A 89 21.812 -12.485 2.388 1.00 10.29 C ATOM 1467 O GLU A 89 21.625 -11.632 1.542 1.00 10.13 O ATOM 1468 CB GLU A 89 21.550 -14.736 1.342 1.00 10.80 C ATOM 1469 CG GLU A 89 20.587 -15.915 1.161 1.00 11.18 C ATOM 1470 CD GLU A 89 19.412 -15.498 0.271 1.00 11.50 C ATOM 1471 OE1 GLU A 89 19.428 -14.382 -0.221 1.00 11.46 O ATOM 1472 OE2 GLU A 89 18.512 -16.304 0.098 1.00 11.95 O ATOM 0 H GLU A 89 19.388 -13.296 1.083 1.00 9.91 H new ATOM 0 HA GLU A 89 21.055 -14.240 3.384 1.00 10.34 H new ATOM 0 HB2 GLU A 89 21.682 -14.212 0.395 1.00 10.80 H new ATOM 0 HB3 GLU A 89 22.532 -15.099 1.645 1.00 10.80 H new ATOM 0 HG2 GLU A 89 21.112 -16.759 0.713 1.00 11.18 H new ATOM 0 HG3 GLU A 89 20.219 -16.247 2.132 1.00 11.18 H new ATOM 1479 N ASN A 90 22.715 -12.336 3.322 1.00 10.66 N ATOM 1480 CA ASN A 90 23.559 -11.104 3.386 1.00 10.92 C ATOM 1481 C ASN A 90 25.031 -11.501 3.485 1.00 10.88 C ATOM 1482 O ASN A 90 25.371 -12.557 3.981 1.00 11.22 O ATOM 1483 CB ASN A 90 23.170 -10.282 4.616 1.00 11.73 C ATOM 1484 CG ASN A 90 21.725 -9.803 4.467 1.00 12.01 C ATOM 1485 OD1 ASN A 90 20.923 -9.970 5.363 1.00 12.15 O ATOM 1486 ND2 ASN A 90 21.358 -9.212 3.362 1.00 12.32 N ATOM 0 H ASN A 90 22.906 -13.023 4.052 1.00 10.66 H new ATOM 0 HA ASN A 90 23.402 -10.509 2.487 1.00 10.92 H new ATOM 0 HB2 ASN A 90 23.274 -10.885 5.518 1.00 11.73 H new ATOM 0 HB3 ASN A 90 23.839 -9.428 4.724 1.00 11.73 H new ATOM 0 HD21 ASN A 90 20.397 -8.890 3.251 1.00 12.32 H new ATOM 0 HD22 ASN A 90 22.033 -9.072 2.610 1.00 12.32 H new ATOM 1493 N GLY A 91 25.907 -10.664 3.000 1.00 10.70 N ATOM 1494 CA GLY A 91 27.362 -10.985 3.043 1.00 10.95 C ATOM 1495 C GLY A 91 27.728 -11.750 1.773 1.00 10.92 C ATOM 1496 O GLY A 91 28.886 -11.910 1.438 1.00 11.16 O ATOM 0 H GLY A 91 25.676 -9.767 2.573 1.00 10.70 H new ATOM 0 HA2 GLY A 91 27.950 -10.070 3.116 1.00 10.95 H new ATOM 0 HA3 GLY A 91 27.592 -11.583 3.925 1.00 10.95 H new ATOM 1500 N SER A 92 26.740 -12.216 1.059 1.00 10.86 N ATOM 1501 CA SER A 92 27.011 -12.966 -0.198 1.00 11.09 C ATOM 1502 C SER A 92 27.357 -11.972 -1.306 1.00 10.83 C ATOM 1503 O SER A 92 27.952 -12.323 -2.306 1.00 11.37 O ATOM 1504 CB SER A 92 25.766 -13.762 -0.595 1.00 11.62 C ATOM 1505 OG SER A 92 24.899 -12.930 -1.355 1.00 11.80 O ATOM 0 H SER A 92 25.753 -12.109 1.294 1.00 10.86 H new ATOM 0 HA SER A 92 27.844 -13.652 -0.046 1.00 11.09 H new ATOM 0 HB2 SER A 92 26.051 -14.638 -1.177 1.00 11.62 H new ATOM 0 HB3 SER A 92 25.253 -14.124 0.296 1.00 11.62 H new ATOM 0 HG SER A 92 24.101 -13.437 -1.612 1.00 11.80 H new ATOM 1511 N PHE A 93 26.982 -10.729 -1.133 1.00 10.20 N ATOM 1512 CA PHE A 93 27.278 -9.692 -2.167 1.00 10.20 C ATOM 1513 C PHE A 93 27.788 -8.422 -1.482 1.00 10.57 C ATOM 1514 O PHE A 93 27.364 -8.079 -0.397 1.00 10.63 O ATOM 1515 CB PHE A 93 25.996 -9.372 -2.944 1.00 9.65 C ATOM 1516 CG PHE A 93 24.973 -8.753 -2.019 1.00 9.86 C ATOM 1517 CD1 PHE A 93 24.931 -7.364 -1.850 1.00 10.19 C ATOM 1518 CD2 PHE A 93 24.058 -9.569 -1.342 1.00 10.01 C ATOM 1519 CE1 PHE A 93 23.974 -6.790 -1.004 1.00 10.65 C ATOM 1520 CE2 PHE A 93 23.103 -8.994 -0.494 1.00 10.47 C ATOM 1521 CZ PHE A 93 23.061 -7.605 -0.325 1.00 10.78 C ATOM 0 H PHE A 93 26.480 -10.387 -0.314 1.00 10.20 H new ATOM 0 HA PHE A 93 28.038 -10.065 -2.853 1.00 10.20 H new ATOM 0 HB2 PHE A 93 26.218 -8.689 -3.763 1.00 9.65 H new ATOM 0 HB3 PHE A 93 25.593 -10.282 -3.388 1.00 9.65 H new ATOM 0 HD1 PHE A 93 25.637 -6.735 -2.372 1.00 10.19 H new ATOM 0 HD2 PHE A 93 24.089 -10.641 -1.474 1.00 10.01 H new ATOM 0 HE1 PHE A 93 23.940 -5.718 -0.875 1.00 10.65 H new ATOM 0 HE2 PHE A 93 22.398 -9.623 0.030 1.00 10.47 H new ATOM 0 HZ PHE A 93 22.324 -7.162 0.329 1.00 10.78 H new ATOM 1531 N LEU A 94 28.692 -7.721 -2.119 1.00 11.03 N ATOM 1532 CA LEU A 94 29.247 -6.462 -1.534 1.00 11.62 C ATOM 1533 C LEU A 94 28.892 -5.300 -2.460 1.00 11.71 C ATOM 1534 O LEU A 94 28.941 -5.424 -3.668 1.00 11.98 O ATOM 1535 CB LEU A 94 30.771 -6.573 -1.435 1.00 12.28 C ATOM 1536 CG LEU A 94 31.162 -7.755 -0.541 1.00 12.70 C ATOM 1537 CD1 LEU A 94 32.690 -7.876 -0.507 1.00 13.06 C ATOM 1538 CD2 LEU A 94 30.629 -7.540 0.885 1.00 13.12 C ATOM 0 H LEU A 94 29.074 -7.971 -3.031 1.00 11.03 H new ATOM 0 HA LEU A 94 28.830 -6.298 -0.540 1.00 11.62 H new ATOM 0 HB2 LEU A 94 31.198 -6.704 -2.429 1.00 12.28 H new ATOM 0 HB3 LEU A 94 31.184 -5.649 -1.029 1.00 12.28 H new ATOM 0 HG LEU A 94 30.728 -8.670 -0.944 1.00 12.70 H new ATOM 0 HD11 LEU A 94 32.974 -8.715 0.128 1.00 13.06 H new ATOM 0 HD12 LEU A 94 33.064 -8.042 -1.517 1.00 13.06 H new ATOM 0 HD13 LEU A 94 33.119 -6.957 -0.107 1.00 13.06 H new ATOM 0 HD21 LEU A 94 30.913 -8.386 1.511 1.00 13.12 H new ATOM 0 HD22 LEU A 94 31.053 -6.625 1.298 1.00 13.12 H new ATOM 0 HD23 LEU A 94 29.543 -7.457 0.859 1.00 13.12 H new TER 1550 LEU A 94