USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 526 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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.6) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -153:sc= -1.46 (180deg=-2.82!) USER MOD Set 2.2: A 47 ASN :FLIP amide:sc= 0.0485! C(o=-3.2!,f=-1.4!) USER MOD Single : A 1 ALA N :NH3+ -152:sc= 1.09 (180deg=1.03) USER MOD Single : A 2 LYS NZ :NH3+ 169:sc= 1.02 (180deg=0.561) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -163:sc= 0.632 USER MOD Single : A 8 LYS NZ :NH3+ 147:sc= 0.989 (180deg=-0.516) USER MOD Single : A 10 SER OG : rot -39:sc= 0.645 USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= 0.28 (180deg=0.0301) USER MOD Single : A 26 THR OG1 : rot -179:sc= -1.66 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 41 THR OG1 : rot 33:sc= 0.219 USER MOD Single : A 46 MET CE :methyl -153:sc= -0.196 (180deg=-1.37!) USER MOD Single : A 55 ASN : amide:sc= 0.181 K(o=0.18,f=-0.78) USER MOD Single : A 60 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.675) USER MOD Single : A 62 GLN : amide:sc= -1.94 X(o=-1.9,f=-2.1) USER MOD Single : A 66 THR OG1 : rot -112:sc= -0.0147 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.3! C(o=-5.8!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.586 -3.162 6.520 1.00 1.00 N ATOM 2 CA ALA A 1 -10.311 -3.357 5.069 1.00 1.00 C ATOM 3 C ALA A 1 -10.586 -4.811 4.692 1.00 1.00 C ATOM 4 O ALA A 1 -10.507 -5.706 5.535 1.00 1.00 O ATOM 5 CB ALA A 1 -8.852 -3.005 4.773 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.865 -2.175 6.691 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.356 -3.796 6.816 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.729 -3.379 7.068 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.959 -2.707 4.482 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.651 -3.148 3.711 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.667 -1.965 5.040 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -8.196 -3.651 5.356 1.00 1.00 H new ATOM 13 N LYS A 2 -10.907 -5.039 3.422 1.00 1.00 N ATOM 14 CA LYS A 2 -11.191 -6.389 2.945 1.00 1.00 C ATOM 15 C LYS A 2 -9.897 -7.176 2.779 1.00 1.00 C ATOM 16 O LYS A 2 -8.848 -6.607 2.493 1.00 1.00 O ATOM 17 CB LYS A 2 -11.924 -6.326 1.605 1.00 1.00 C ATOM 18 CG LYS A 2 -13.289 -5.666 1.803 1.00 1.00 C ATOM 19 CD LYS A 2 -14.027 -5.611 0.465 1.00 1.00 C ATOM 20 CE LYS A 2 -15.405 -4.977 0.669 1.00 1.00 C ATOM 21 NZ LYS A 2 -15.239 -3.578 1.156 1.00 1.00 N ATOM 0 H LYS A 2 -10.977 -4.313 2.709 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.821 -6.891 3.680 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.336 -5.760 0.882 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -12.049 -7.330 1.199 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.875 -6.228 2.531 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.164 -4.660 2.203 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.451 -5.031 -0.257 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -14.134 -6.615 0.055 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.963 -4.984 -0.267 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.982 -5.558 1.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -16.155 -3.086 1.118 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -14.893 -3.591 2.137 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -14.553 -3.080 0.553 1.00 1.00 H new ATOM 35 N LYS A 3 -9.978 -8.487 2.961 1.00 1.00 N ATOM 36 CA LYS A 3 -8.801 -9.339 2.835 1.00 1.00 C ATOM 37 C LYS A 3 -8.220 -9.252 1.428 1.00 1.00 C ATOM 38 O LYS A 3 -7.003 -9.218 1.250 1.00 1.00 O ATOM 39 CB LYS A 3 -9.174 -10.787 3.132 1.00 1.00 C ATOM 40 CG LYS A 3 -9.594 -10.918 4.598 1.00 1.00 C ATOM 41 CD LYS A 3 -9.807 -12.397 4.946 1.00 1.00 C ATOM 42 CE LYS A 3 -10.991 -12.958 4.151 1.00 1.00 C ATOM 43 NZ LYS A 3 -11.472 -14.211 4.798 1.00 1.00 N ATOM 0 H LYS A 3 -10.839 -8.982 3.195 1.00 1.00 H new ATOM 0 HA LYS A 3 -8.054 -8.995 3.550 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.988 -11.105 2.480 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -8.327 -11.441 2.926 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.829 -10.489 5.245 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -10.512 -10.357 4.775 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -8.905 -12.966 4.720 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -9.993 -12.504 6.015 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -11.796 -12.224 4.110 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -10.690 -13.159 3.123 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -12.276 -14.593 4.260 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -10.703 -14.910 4.815 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -11.774 -14.005 5.772 1.00 1.00 H new ATOM 57 N GLU A 4 -9.096 -9.222 0.432 1.00 1.00 N ATOM 58 CA GLU A 4 -8.653 -9.144 -0.951 1.00 1.00 C ATOM 59 C GLU A 4 -7.811 -7.889 -1.169 1.00 1.00 C ATOM 60 O GLU A 4 -6.769 -7.932 -1.823 1.00 1.00 O ATOM 61 CB GLU A 4 -9.870 -9.122 -1.885 1.00 1.00 C ATOM 62 CG GLU A 4 -10.618 -7.793 -1.732 1.00 1.00 C ATOM 63 CD GLU A 4 -11.994 -7.888 -2.381 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.863 -8.514 -1.793 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.163 -7.333 -3.454 1.00 1.00 O ATOM 0 H GLU A 4 -10.108 -9.250 0.555 1.00 1.00 H new ATOM 0 HA GLU A 4 -8.042 -10.019 -1.174 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.549 -9.252 -2.919 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.535 -9.953 -1.650 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.722 -7.545 -0.676 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.045 -6.989 -2.193 1.00 1.00 H new ATOM 72 N THR A 5 -8.280 -6.768 -0.622 1.00 1.00 N ATOM 73 CA THR A 5 -7.570 -5.503 -0.767 1.00 1.00 C ATOM 74 C THR A 5 -6.253 -5.540 -0.004 1.00 1.00 C ATOM 75 O THR A 5 -5.227 -5.071 -0.491 1.00 1.00 O ATOM 76 CB THR A 5 -8.439 -4.339 -0.265 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.787 -4.578 -0.639 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.977 -3.025 -0.915 1.00 1.00 C ATOM 0 H THR A 5 -9.142 -6.712 -0.079 1.00 1.00 H new ATOM 0 HA THR A 5 -7.356 -5.349 -1.825 1.00 1.00 H new ATOM 0 HB THR A 5 -8.349 -4.263 0.819 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.297 -3.743 -0.576 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.597 -2.204 -0.555 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.936 -2.836 -0.653 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.070 -3.102 -1.998 1.00 1.00 H new ATOM 86 N ILE A 6 -6.293 -6.104 1.197 1.00 1.00 N ATOM 87 CA ILE A 6 -5.102 -6.196 2.029 1.00 1.00 C ATOM 88 C ILE A 6 -4.017 -7.009 1.333 1.00 1.00 C ATOM 89 O ILE A 6 -2.850 -6.620 1.322 1.00 1.00 O ATOM 90 CB ILE A 6 -5.459 -6.859 3.367 1.00 1.00 C ATOM 91 CG1 ILE A 6 -6.325 -5.905 4.201 1.00 1.00 C ATOM 92 CG2 ILE A 6 -4.182 -7.201 4.140 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.903 -6.654 5.409 1.00 1.00 C ATOM 0 H ILE A 6 -7.134 -6.503 1.614 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.724 -5.189 2.204 1.00 1.00 H new ATOM 0 HB ILE A 6 -6.014 -7.777 3.172 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.728 -5.057 4.538 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -7.133 -5.503 3.589 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -4.445 -7.671 5.088 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.573 -7.887 3.551 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.617 -6.289 4.332 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.517 -5.974 5.999 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.515 -7.487 5.062 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -6.088 -7.034 6.025 1.00 1.00 H new ATOM 105 N ASP A 7 -4.403 -8.135 0.753 1.00 1.00 N ATOM 106 CA ASP A 7 -3.447 -8.986 0.063 1.00 1.00 C ATOM 107 C ASP A 7 -2.843 -8.250 -1.126 1.00 1.00 C ATOM 108 O ASP A 7 -1.661 -8.403 -1.432 1.00 1.00 O ATOM 109 CB ASP A 7 -4.141 -10.261 -0.410 1.00 1.00 C ATOM 110 CG ASP A 7 -4.415 -11.183 0.776 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.819 -10.970 1.820 1.00 1.00 O ATOM 112 OD2 ASP A 7 -5.218 -12.088 0.623 1.00 1.00 O ATOM 0 H ASP A 7 -5.363 -8.478 0.746 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.645 -9.248 0.753 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -5.077 -10.011 -0.909 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -3.517 -10.774 -1.142 1.00 1.00 H new ATOM 117 N LYS A 8 -3.662 -7.457 -1.795 1.00 1.00 N ATOM 118 CA LYS A 8 -3.200 -6.701 -2.953 1.00 1.00 C ATOM 119 C LYS A 8 -2.162 -5.669 -2.551 1.00 1.00 C ATOM 120 O LYS A 8 -1.130 -5.532 -3.201 1.00 1.00 O ATOM 121 CB LYS A 8 -4.387 -5.986 -3.592 1.00 1.00 C ATOM 122 CG LYS A 8 -5.316 -7.002 -4.281 1.00 1.00 C ATOM 123 CD LYS A 8 -4.844 -7.271 -5.725 1.00 1.00 C ATOM 124 CE LYS A 8 -5.455 -6.238 -6.676 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.052 -6.548 -8.073 1.00 1.00 N ATOM 0 H LYS A 8 -4.645 -7.318 -1.561 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.747 -7.396 -3.660 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.940 -5.435 -2.832 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.032 -5.256 -4.320 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.328 -7.934 -3.716 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.337 -6.622 -4.291 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.756 -7.225 -5.775 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -5.135 -8.276 -6.030 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.542 -6.247 -6.590 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.122 -5.236 -6.404 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.818 -6.279 -8.723 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.191 -6.015 -8.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.865 -7.567 -8.162 1.00 1.00 H new ATOM 139 N VAL A 9 -2.445 -4.936 -1.485 1.00 1.00 N ATOM 140 CA VAL A 9 -1.527 -3.906 -1.035 1.00 1.00 C ATOM 141 C VAL A 9 -0.173 -4.512 -0.707 1.00 1.00 C ATOM 142 O VAL A 9 0.866 -3.999 -1.119 1.00 1.00 O ATOM 143 CB VAL A 9 -2.088 -3.212 0.207 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.036 -2.268 0.797 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.323 -2.405 -0.177 1.00 1.00 C ATOM 0 H VAL A 9 -3.291 -5.034 -0.924 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.406 -3.176 -1.835 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.354 -3.967 0.947 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.443 -1.777 1.681 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.150 -2.839 1.074 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.766 -1.515 0.056 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.724 -1.910 0.708 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.051 -1.656 -0.920 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.078 -3.072 -0.593 1.00 1.00 H new ATOM 155 N SER A 10 -0.190 -5.599 0.040 1.00 1.00 N ATOM 156 CA SER A 10 1.046 -6.256 0.415 1.00 1.00 C ATOM 157 C SER A 10 1.801 -6.719 -0.820 1.00 1.00 C ATOM 158 O SER A 10 3.010 -6.540 -0.913 1.00 1.00 O ATOM 159 CB SER A 10 0.749 -7.459 1.304 1.00 1.00 C ATOM 160 OG SER A 10 0.032 -8.432 0.556 1.00 1.00 O ATOM 0 H SER A 10 -1.037 -6.042 0.396 1.00 1.00 H new ATOM 0 HA SER A 10 1.661 -5.541 0.961 1.00 1.00 H new ATOM 0 HB2 SER A 10 1.679 -7.886 1.680 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.167 -7.149 2.172 1.00 1.00 H new ATOM 0 HG SER A 10 -0.618 -7.984 -0.024 1.00 1.00 H new ATOM 166 N ASP A 11 1.073 -7.298 -1.771 1.00 1.00 N ATOM 167 CA ASP A 11 1.677 -7.800 -2.996 1.00 1.00 C ATOM 168 C ASP A 11 2.497 -6.706 -3.661 1.00 1.00 C ATOM 169 O ASP A 11 3.610 -6.948 -4.114 1.00 1.00 O ATOM 170 CB ASP A 11 0.559 -8.285 -3.941 1.00 1.00 C ATOM 171 CG ASP A 11 0.161 -9.731 -3.626 1.00 1.00 C ATOM 172 OD1 ASP A 11 0.987 -10.464 -3.108 1.00 1.00 O ATOM 173 OD2 ASP A 11 -0.976 -10.078 -3.911 1.00 1.00 O ATOM 0 H ASP A 11 0.063 -7.430 -1.714 1.00 1.00 H new ATOM 0 HA ASP A 11 2.343 -8.631 -2.765 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.311 -7.635 -3.844 1.00 1.00 H new ATOM 0 HB3 ASP A 11 0.896 -8.214 -4.975 1.00 1.00 H new ATOM 178 N ILE A 12 1.954 -5.505 -3.700 1.00 1.00 N ATOM 179 CA ILE A 12 2.663 -4.399 -4.317 1.00 1.00 C ATOM 180 C ILE A 12 3.999 -4.174 -3.622 1.00 1.00 C ATOM 181 O ILE A 12 5.012 -3.972 -4.280 1.00 1.00 O ATOM 182 CB ILE A 12 1.799 -3.119 -4.241 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.886 -2.996 -5.473 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.678 -1.861 -4.149 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.256 -4.007 -5.391 1.00 1.00 C ATOM 0 H ILE A 12 1.038 -5.271 -3.318 1.00 1.00 H new ATOM 0 HA ILE A 12 2.854 -4.639 -5.363 1.00 1.00 H new ATOM 0 HB ILE A 12 1.188 -3.199 -3.342 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.482 -1.985 -5.535 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.465 -3.164 -6.381 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.043 -0.977 -4.097 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.299 -1.915 -3.255 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.316 -1.798 -5.030 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.893 -3.908 -6.270 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.154 -5.016 -5.352 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.844 -3.819 -4.493 1.00 1.00 H new ATOM 197 N VAL A 13 3.985 -4.185 -2.300 1.00 1.00 N ATOM 198 CA VAL A 13 5.199 -3.944 -1.541 1.00 1.00 C ATOM 199 C VAL A 13 6.245 -5.003 -1.840 1.00 1.00 C ATOM 200 O VAL A 13 7.413 -4.690 -2.021 1.00 1.00 O ATOM 201 CB VAL A 13 4.886 -3.938 -0.050 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.158 -3.622 0.735 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.823 -2.881 0.249 1.00 1.00 C ATOM 0 H VAL A 13 3.154 -4.357 -1.734 1.00 1.00 H new ATOM 0 HA VAL A 13 5.598 -2.973 -1.834 1.00 1.00 H new ATOM 0 HB VAL A 13 4.511 -4.918 0.245 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.935 -3.617 1.802 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.913 -4.380 0.525 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.535 -2.643 0.439 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.602 -2.879 1.316 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.193 -1.899 -0.046 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.915 -3.110 -0.310 1.00 1.00 H new ATOM 213 N LYS A 14 5.821 -6.257 -1.877 1.00 1.00 N ATOM 214 CA LYS A 14 6.740 -7.360 -2.140 1.00 1.00 C ATOM 215 C LYS A 14 7.340 -7.246 -3.540 1.00 1.00 C ATOM 216 O LYS A 14 8.514 -7.546 -3.749 1.00 1.00 O ATOM 217 CB LYS A 14 6.002 -8.689 -2.023 1.00 1.00 C ATOM 218 CG LYS A 14 5.205 -8.733 -0.704 1.00 1.00 C ATOM 219 CD LYS A 14 5.118 -10.168 -0.177 1.00 1.00 C ATOM 220 CE LYS A 14 6.410 -10.551 0.572 1.00 1.00 C ATOM 221 NZ LYS A 14 6.117 -10.656 2.023 1.00 1.00 N ATOM 0 H LYS A 14 4.852 -6.538 -1.729 1.00 1.00 H new ATOM 0 HA LYS A 14 7.543 -7.314 -1.405 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.328 -8.816 -2.870 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.714 -9.514 -2.056 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.684 -8.095 0.039 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.202 -8.337 -0.865 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.262 -10.264 0.491 1.00 1.00 H new ATOM 0 HD3 LYS A 14 4.954 -10.856 -1.006 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.795 -11.499 0.197 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.182 -9.802 0.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 6.981 -10.458 2.567 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.381 -9.968 2.279 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.784 -11.617 2.241 1.00 1.00 H new ATOM 235 N GLU A 15 6.521 -6.823 -4.497 1.00 1.00 N ATOM 236 CA GLU A 15 6.977 -6.686 -5.876 1.00 1.00 C ATOM 237 C GLU A 15 8.213 -5.795 -5.959 1.00 1.00 C ATOM 238 O GLU A 15 9.182 -6.126 -6.642 1.00 1.00 O ATOM 239 CB GLU A 15 5.855 -6.084 -6.734 1.00 1.00 C ATOM 240 CG GLU A 15 4.793 -7.148 -7.021 1.00 1.00 C ATOM 241 CD GLU A 15 5.348 -8.185 -7.988 1.00 1.00 C ATOM 242 OE1 GLU A 15 5.831 -7.789 -9.037 1.00 1.00 O ATOM 243 OE2 GLU A 15 5.284 -9.359 -7.667 1.00 1.00 O ATOM 0 H GLU A 15 5.544 -6.571 -4.345 1.00 1.00 H new ATOM 0 HA GLU A 15 7.239 -7.676 -6.249 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.404 -5.237 -6.217 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.265 -5.704 -7.670 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.488 -7.630 -6.092 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.904 -6.682 -7.445 1.00 1.00 H new ATOM 250 N LYS A 16 8.175 -4.669 -5.265 1.00 1.00 N ATOM 251 CA LYS A 16 9.293 -3.736 -5.286 1.00 1.00 C ATOM 252 C LYS A 16 10.615 -4.485 -5.085 1.00 1.00 C ATOM 253 O LYS A 16 11.544 -4.348 -5.882 1.00 1.00 O ATOM 254 CB LYS A 16 9.105 -2.696 -4.166 1.00 1.00 C ATOM 255 CG LYS A 16 7.625 -2.302 -4.042 1.00 1.00 C ATOM 256 CD LYS A 16 7.082 -1.787 -5.381 1.00 1.00 C ATOM 257 CE LYS A 16 7.919 -0.593 -5.843 1.00 1.00 C ATOM 258 NZ LYS A 16 7.121 0.239 -6.775 1.00 1.00 N ATOM 0 H LYS A 16 7.389 -4.379 -4.684 1.00 1.00 H new ATOM 0 HA LYS A 16 9.323 -3.233 -6.253 1.00 1.00 H new ATOM 0 HB2 LYS A 16 9.460 -3.104 -3.219 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.707 -1.812 -4.378 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.041 -3.163 -3.715 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.512 -1.532 -3.279 1.00 1.00 H new ATOM 0 HD2 LYS A 16 7.115 -2.580 -6.129 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.038 -1.494 -5.274 1.00 1.00 H new ATOM 0 HE2 LYS A 16 8.230 0.001 -4.984 1.00 1.00 H new ATOM 0 HE3 LYS A 16 8.827 -0.941 -6.336 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 7.759 0.744 -7.422 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 6.482 -0.371 -7.324 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.561 0.928 -6.233 1.00 1.00 H new ATOM 272 N LEU A 17 10.681 -5.286 -4.027 1.00 1.00 N ATOM 273 CA LEU A 17 11.863 -6.055 -3.719 1.00 1.00 C ATOM 274 C LEU A 17 11.835 -7.368 -4.472 1.00 1.00 C ATOM 275 O LEU A 17 12.751 -8.185 -4.367 1.00 1.00 O ATOM 276 CB LEU A 17 11.917 -6.329 -2.222 1.00 1.00 C ATOM 277 CG LEU A 17 11.652 -5.057 -1.392 1.00 1.00 C ATOM 278 CD1 LEU A 17 12.319 -3.819 -2.040 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.132 -4.834 -1.182 1.00 1.00 C ATOM 0 H LEU A 17 9.915 -5.415 -3.366 1.00 1.00 H new ATOM 0 HA LEU A 17 12.745 -5.489 -4.018 1.00 1.00 H new ATOM 0 HB2 LEU A 17 11.179 -7.089 -1.966 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.895 -6.734 -1.963 1.00 1.00 H new ATOM 0 HG LEU A 17 12.103 -5.198 -0.410 1.00 1.00 H new ATOM 0 HD11 LEU A 17 12.115 -2.937 -1.433 1.00 1.00 H new ATOM 0 HD12 LEU A 17 13.396 -3.976 -2.102 1.00 1.00 H new ATOM 0 HD13 LEU A 17 11.916 -3.671 -3.042 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.975 -3.930 -0.594 1.00 1.00 H new ATOM 0 HD22 LEU A 17 9.643 -4.726 -2.150 1.00 1.00 H new ATOM 0 HD23 LEU A 17 9.708 -5.689 -0.654 1.00 1.00 H new ATOM 291 N ALA A 18 10.778 -7.567 -5.231 1.00 1.00 N ATOM 292 CA ALA A 18 10.637 -8.782 -5.999 1.00 1.00 C ATOM 293 C ALA A 18 10.411 -9.955 -5.073 1.00 1.00 C ATOM 294 O ALA A 18 10.853 -11.071 -5.344 1.00 1.00 O ATOM 295 CB ALA A 18 11.902 -9.014 -6.846 1.00 1.00 C ATOM 0 H ALA A 18 10.008 -6.905 -5.331 1.00 1.00 H new ATOM 0 HA ALA A 18 9.778 -8.687 -6.663 1.00 1.00 H new ATOM 0 HB1 ALA A 18 11.790 -9.932 -7.423 1.00 1.00 H new ATOM 0 HB2 ALA A 18 12.044 -8.173 -7.525 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.768 -9.101 -6.190 1.00 1.00 H new ATOM 301 N LEU A 19 9.726 -9.696 -3.969 1.00 1.00 N ATOM 302 CA LEU A 19 9.454 -10.732 -2.982 1.00 1.00 C ATOM 303 C LEU A 19 8.137 -11.447 -3.300 1.00 1.00 C ATOM 304 O LEU A 19 7.601 -11.326 -4.401 1.00 1.00 O ATOM 305 CB LEU A 19 9.408 -10.088 -1.584 1.00 1.00 C ATOM 306 CG LEU A 19 10.739 -10.297 -0.846 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.907 -9.634 -1.618 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.617 -9.705 0.564 1.00 1.00 C ATOM 0 H LEU A 19 9.348 -8.778 -3.734 1.00 1.00 H new ATOM 0 HA LEU A 19 10.247 -11.480 -3.008 1.00 1.00 H new ATOM 0 HB2 LEU A 19 9.201 -9.022 -1.676 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.593 -10.522 -1.005 1.00 1.00 H new ATOM 0 HG LEU A 19 10.955 -11.363 -0.779 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.839 -9.795 -1.076 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.984 -10.076 -2.612 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.721 -8.564 -1.710 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.555 -9.846 1.100 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.396 -8.640 0.494 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.813 -10.208 1.101 1.00 1.00 H new ATOM 320 N GLY A 20 7.642 -12.201 -2.325 1.00 1.00 N ATOM 321 CA GLY A 20 6.403 -12.951 -2.487 1.00 1.00 C ATOM 322 C GLY A 20 6.692 -14.393 -2.891 1.00 1.00 C ATOM 323 O GLY A 20 5.774 -15.155 -3.196 1.00 1.00 O ATOM 0 H GLY A 20 8.082 -12.309 -1.411 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.839 -12.936 -1.554 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.780 -12.474 -3.244 1.00 1.00 H new ATOM 327 N ALA A 21 7.970 -14.765 -2.894 1.00 1.00 N ATOM 328 CA ALA A 21 8.353 -16.121 -3.265 1.00 1.00 C ATOM 329 C ALA A 21 8.100 -17.077 -2.108 1.00 1.00 C ATOM 330 O ALA A 21 7.117 -17.822 -2.110 1.00 1.00 O ATOM 331 CB ALA A 21 9.835 -16.160 -3.648 1.00 1.00 C ATOM 0 H ALA A 21 8.748 -14.154 -2.647 1.00 1.00 H new ATOM 0 HA ALA A 21 7.751 -16.431 -4.119 1.00 1.00 H new ATOM 0 HB1 ALA A 21 10.113 -17.177 -3.924 1.00 1.00 H new ATOM 0 HB2 ALA A 21 10.010 -15.494 -4.493 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.439 -15.836 -2.800 1.00 1.00 H new ATOM 337 N ASP A 22 8.991 -17.053 -1.116 1.00 1.00 N ATOM 338 CA ASP A 22 8.860 -17.918 0.060 1.00 1.00 C ATOM 339 C ASP A 22 8.657 -17.089 1.322 1.00 1.00 C ATOM 340 O ASP A 22 8.628 -17.624 2.431 1.00 1.00 O ATOM 341 CB ASP A 22 10.114 -18.783 0.212 1.00 1.00 C ATOM 342 CG ASP A 22 10.151 -19.843 -0.883 1.00 1.00 C ATOM 343 OD1 ASP A 22 9.164 -19.966 -1.592 1.00 1.00 O ATOM 344 OD2 ASP A 22 11.161 -20.515 -0.997 1.00 1.00 O ATOM 0 H ASP A 22 9.810 -16.446 -1.102 1.00 1.00 H new ATOM 0 HA ASP A 22 7.989 -18.558 -0.081 1.00 1.00 H new ATOM 0 HB2 ASP A 22 11.006 -18.159 0.156 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.120 -19.260 1.192 1.00 1.00 H new ATOM 349 N VAL A 23 8.519 -15.779 1.148 1.00 1.00 N ATOM 350 CA VAL A 23 8.320 -14.880 2.282 1.00 1.00 C ATOM 351 C VAL A 23 6.836 -14.781 2.632 1.00 1.00 C ATOM 352 O VAL A 23 5.992 -14.600 1.755 1.00 1.00 O ATOM 353 CB VAL A 23 8.858 -13.492 1.945 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.910 -12.643 3.216 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.262 -13.615 1.354 1.00 1.00 C ATOM 0 H VAL A 23 8.541 -15.317 0.239 1.00 1.00 H new ATOM 0 HA VAL A 23 8.859 -15.281 3.140 1.00 1.00 H new ATOM 0 HB VAL A 23 8.201 -13.016 1.217 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.294 -11.652 2.976 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.908 -12.552 3.634 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.565 -13.119 3.945 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.644 -12.623 1.114 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.921 -14.092 2.079 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.223 -14.218 0.447 1.00 1.00 H new ATOM 365 N VAL A 24 6.525 -14.900 3.921 1.00 1.00 N ATOM 366 CA VAL A 24 5.152 -14.823 4.376 1.00 1.00 C ATOM 367 C VAL A 24 4.618 -13.409 4.191 1.00 1.00 C ATOM 368 O VAL A 24 5.387 -12.447 4.135 1.00 1.00 O ATOM 369 CB VAL A 24 5.078 -15.218 5.852 1.00 1.00 C ATOM 370 CG1 VAL A 24 5.964 -16.440 6.101 1.00 1.00 C ATOM 371 CG2 VAL A 24 5.545 -14.053 6.743 1.00 1.00 C ATOM 0 H VAL A 24 7.209 -15.050 4.663 1.00 1.00 H new ATOM 0 HA VAL A 24 4.542 -15.509 3.788 1.00 1.00 H new ATOM 0 HB VAL A 24 4.044 -15.458 6.100 1.00 1.00 H new ATOM 0 HG11 VAL A 24 5.910 -16.720 7.153 1.00 1.00 H new ATOM 0 HG12 VAL A 24 5.619 -17.271 5.486 1.00 1.00 H new ATOM 0 HG13 VAL A 24 6.995 -16.201 5.842 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.486 -14.350 7.790 1.00 1.00 H new ATOM 0 HG22 VAL A 24 6.575 -13.796 6.496 1.00 1.00 H new ATOM 0 HG23 VAL A 24 4.905 -13.187 6.575 1.00 1.00 H new ATOM 381 N VAL A 25 3.297 -13.287 4.100 1.00 1.00 N ATOM 382 CA VAL A 25 2.661 -11.984 3.926 1.00 1.00 C ATOM 383 C VAL A 25 1.678 -11.721 5.062 1.00 1.00 C ATOM 384 O VAL A 25 0.832 -12.560 5.376 1.00 1.00 O ATOM 385 CB VAL A 25 1.914 -11.945 2.589 1.00 1.00 C ATOM 386 CG1 VAL A 25 0.966 -13.147 2.488 1.00 1.00 C ATOM 387 CG2 VAL A 25 1.108 -10.643 2.491 1.00 1.00 C ATOM 0 H VAL A 25 2.647 -14.072 4.144 1.00 1.00 H new ATOM 0 HA VAL A 25 3.433 -11.215 3.936 1.00 1.00 H new ATOM 0 HB VAL A 25 2.635 -11.989 1.772 1.00 1.00 H new ATOM 0 HG11 VAL A 25 0.437 -13.114 1.535 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.541 -14.071 2.552 1.00 1.00 H new ATOM 0 HG13 VAL A 25 0.245 -13.111 3.305 1.00 1.00 H new ATOM 0 HG21 VAL A 25 0.576 -10.615 1.540 1.00 1.00 H new ATOM 0 HG22 VAL A 25 0.390 -10.597 3.310 1.00 1.00 H new ATOM 0 HG23 VAL A 25 1.785 -9.791 2.554 1.00 1.00 H new ATOM 397 N THR A 26 1.795 -10.544 5.676 1.00 1.00 N ATOM 398 CA THR A 26 0.915 -10.159 6.777 1.00 1.00 C ATOM 399 C THR A 26 0.456 -8.713 6.611 1.00 1.00 C ATOM 400 O THR A 26 1.105 -7.919 5.930 1.00 1.00 O ATOM 401 CB THR A 26 1.646 -10.315 8.109 1.00 1.00 C ATOM 402 OG1 THR A 26 2.921 -9.701 8.026 1.00 1.00 O ATOM 403 CG2 THR A 26 1.809 -11.799 8.430 1.00 1.00 C ATOM 0 H THR A 26 2.491 -9.841 5.429 1.00 1.00 H new ATOM 0 HA THR A 26 0.041 -10.811 6.766 1.00 1.00 H new ATOM 0 HB THR A 26 1.067 -9.836 8.899 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.395 -9.814 8.876 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.331 -11.910 9.381 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.827 -12.267 8.498 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.386 -12.281 7.641 1.00 1.00 H new ATOM 411 N ALA A 27 -0.669 -8.377 7.240 1.00 1.00 N ATOM 412 CA ALA A 27 -1.213 -7.024 7.161 1.00 1.00 C ATOM 413 C ALA A 27 -0.605 -6.138 8.245 1.00 1.00 C ATOM 414 O ALA A 27 -0.474 -4.928 8.079 1.00 1.00 O ATOM 415 CB ALA A 27 -2.740 -7.073 7.329 1.00 1.00 C ATOM 0 H ALA A 27 -1.219 -9.021 7.808 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.965 -6.603 6.187 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -3.145 -6.063 7.270 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -3.174 -7.685 6.538 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.986 -7.506 8.299 1.00 1.00 H new ATOM 421 N ASP A 28 -0.247 -6.747 9.362 1.00 1.00 N ATOM 422 CA ASP A 28 0.327 -5.994 10.467 1.00 1.00 C ATOM 423 C ASP A 28 1.811 -5.753 10.233 1.00 1.00 C ATOM 424 O ASP A 28 2.486 -5.138 11.056 1.00 1.00 O ATOM 425 CB ASP A 28 0.131 -6.758 11.780 1.00 1.00 C ATOM 426 CG ASP A 28 -1.355 -6.880 12.104 1.00 1.00 C ATOM 427 OD1 ASP A 28 -2.128 -6.128 11.534 1.00 1.00 O ATOM 428 OD2 ASP A 28 -1.696 -7.723 12.915 1.00 1.00 O ATOM 0 H ASP A 28 -0.341 -7.749 9.529 1.00 1.00 H new ATOM 0 HA ASP A 28 -0.181 -5.032 10.530 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.576 -7.750 11.701 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.646 -6.241 12.590 1.00 1.00 H new ATOM 433 N SER A 29 2.313 -6.244 9.104 1.00 1.00 N ATOM 434 CA SER A 29 3.721 -6.072 8.771 1.00 1.00 C ATOM 435 C SER A 29 3.933 -4.746 8.058 1.00 1.00 C ATOM 436 O SER A 29 3.720 -4.637 6.850 1.00 1.00 O ATOM 437 CB SER A 29 4.189 -7.217 7.872 1.00 1.00 C ATOM 438 OG SER A 29 5.275 -6.773 7.069 1.00 1.00 O ATOM 0 H SER A 29 1.771 -6.759 8.411 1.00 1.00 H new ATOM 0 HA SER A 29 4.301 -6.078 9.694 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.496 -8.069 8.479 1.00 1.00 H new ATOM 0 HB3 SER A 29 3.369 -7.556 7.239 1.00 1.00 H new ATOM 0 HG SER A 29 5.577 -7.506 6.493 1.00 1.00 H new ATOM 444 N GLU A 30 4.356 -3.736 8.811 1.00 1.00 N ATOM 445 CA GLU A 30 4.585 -2.415 8.242 1.00 1.00 C ATOM 446 C GLU A 30 5.318 -2.532 6.905 1.00 1.00 C ATOM 447 O GLU A 30 6.382 -3.145 6.823 1.00 1.00 O ATOM 448 CB GLU A 30 5.420 -1.574 9.206 1.00 1.00 C ATOM 449 CG GLU A 30 4.680 -1.428 10.535 1.00 1.00 C ATOM 450 CD GLU A 30 5.560 -0.703 11.549 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.665 -0.333 11.189 1.00 1.00 O ATOM 452 OE2 GLU A 30 5.116 -0.531 12.672 1.00 1.00 O ATOM 0 H GLU A 30 4.546 -3.807 9.811 1.00 1.00 H new ATOM 0 HA GLU A 30 3.621 -1.934 8.078 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.390 -2.045 9.368 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.611 -0.591 8.775 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.753 -0.874 10.385 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.406 -2.411 10.917 1.00 1.00 H new ATOM 600 N THR A 41 7.729 6.675 -2.097 1.00 1.00 N ATOM 601 CA THR A 41 6.294 6.848 -1.883 1.00 1.00 C ATOM 602 C THR A 41 5.570 6.999 -3.210 1.00 1.00 C ATOM 603 O THR A 41 4.452 6.518 -3.367 1.00 1.00 O ATOM 604 CB THR A 41 6.029 8.076 -1.009 1.00 1.00 C ATOM 605 OG1 THR A 41 6.826 7.997 0.167 1.00 1.00 O ATOM 606 CG2 THR A 41 4.542 8.150 -0.633 1.00 1.00 C ATOM 0 HA THR A 41 5.917 5.960 -1.374 1.00 1.00 H new ATOM 0 HB THR A 41 6.290 8.976 -1.565 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.672 7.549 -0.041 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.367 9.028 -0.011 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.941 8.222 -1.539 1.00 1.00 H new ATOM 0 HG23 THR A 41 4.261 7.253 -0.081 1.00 1.00 H new ATOM 614 N VAL A 42 6.216 7.678 -4.156 1.00 1.00 N ATOM 615 CA VAL A 42 5.629 7.899 -5.477 1.00 1.00 C ATOM 616 C VAL A 42 5.406 6.570 -6.195 1.00 1.00 C ATOM 617 O VAL A 42 4.412 6.382 -6.891 1.00 1.00 O ATOM 618 CB VAL A 42 6.542 8.789 -6.318 1.00 1.00 C ATOM 619 CG1 VAL A 42 5.958 8.933 -7.725 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.647 10.168 -5.667 1.00 1.00 C ATOM 0 H VAL A 42 7.144 8.084 -4.033 1.00 1.00 H new ATOM 0 HA VAL A 42 4.667 8.394 -5.344 1.00 1.00 H new ATOM 0 HB VAL A 42 7.533 8.339 -6.380 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.609 9.568 -8.326 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.881 7.950 -8.189 1.00 1.00 H new ATOM 0 HG13 VAL A 42 4.968 9.384 -7.663 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.298 10.804 -6.266 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.656 10.618 -5.606 1.00 1.00 H new ATOM 0 HG23 VAL A 42 7.062 10.066 -4.664 1.00 1.00 H new ATOM 630 N GLU A 43 6.347 5.654 -6.042 1.00 1.00 N ATOM 631 CA GLU A 43 6.225 4.357 -6.691 1.00 1.00 C ATOM 632 C GLU A 43 5.143 3.509 -6.024 1.00 1.00 C ATOM 633 O GLU A 43 4.330 2.880 -6.698 1.00 1.00 O ATOM 634 CB GLU A 43 7.556 3.619 -6.619 1.00 1.00 C ATOM 635 CG GLU A 43 8.579 4.341 -7.494 1.00 1.00 C ATOM 636 CD GLU A 43 9.944 3.677 -7.355 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.034 2.698 -6.633 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.881 4.159 -7.971 1.00 1.00 O ATOM 0 H GLU A 43 7.192 5.779 -5.484 1.00 1.00 H new ATOM 0 HA GLU A 43 5.946 4.523 -7.732 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.907 3.577 -5.588 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.433 2.590 -6.956 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.259 4.319 -8.536 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.644 5.389 -7.203 1.00 1.00 H new ATOM 645 N ILE A 44 5.147 3.481 -4.694 1.00 1.00 N ATOM 646 CA ILE A 44 4.174 2.677 -3.953 1.00 1.00 C ATOM 647 C ILE A 44 2.745 3.179 -4.161 1.00 1.00 C ATOM 648 O ILE A 44 1.834 2.393 -4.413 1.00 1.00 O ATOM 649 CB ILE A 44 4.500 2.721 -2.460 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.849 2.038 -2.200 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.410 1.998 -1.665 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.820 0.548 -2.590 1.00 1.00 C ATOM 0 H ILE A 44 5.804 3.999 -4.111 1.00 1.00 H new ATOM 0 HA ILE A 44 4.238 1.656 -4.329 1.00 1.00 H new ATOM 0 HB ILE A 44 4.551 3.763 -2.143 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.629 2.547 -2.766 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.107 2.133 -1.145 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.650 2.034 -0.602 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.450 2.485 -1.837 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.352 0.959 -1.989 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.794 0.101 -2.391 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.058 0.034 -2.005 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.588 0.454 -3.651 1.00 1.00 H new ATOM 664 N VAL A 45 2.556 4.485 -4.042 1.00 1.00 N ATOM 665 CA VAL A 45 1.229 5.064 -4.196 1.00 1.00 C ATOM 666 C VAL A 45 0.685 4.821 -5.596 1.00 1.00 C ATOM 667 O VAL A 45 -0.474 4.452 -5.764 1.00 1.00 O ATOM 668 CB VAL A 45 1.285 6.567 -3.933 1.00 1.00 C ATOM 669 CG1 VAL A 45 2.154 7.246 -4.990 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.125 7.149 -3.992 1.00 1.00 C ATOM 0 H VAL A 45 3.296 5.158 -3.841 1.00 1.00 H new ATOM 0 HA VAL A 45 0.566 4.585 -3.475 1.00 1.00 H new ATOM 0 HB VAL A 45 1.713 6.740 -2.946 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.190 8.318 -4.797 1.00 1.00 H new ATOM 0 HG12 VAL A 45 3.163 6.836 -4.950 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.730 7.069 -5.978 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.084 8.222 -3.804 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.552 6.969 -4.979 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.748 6.672 -3.235 1.00 1.00 H new ATOM 680 N MET A 46 1.526 5.035 -6.593 1.00 1.00 N ATOM 681 CA MET A 46 1.107 4.850 -7.971 1.00 1.00 C ATOM 682 C MET A 46 0.722 3.398 -8.224 1.00 1.00 C ATOM 683 O MET A 46 -0.246 3.121 -8.932 1.00 1.00 O ATOM 684 CB MET A 46 2.233 5.273 -8.923 1.00 1.00 C ATOM 685 CG MET A 46 2.324 6.808 -9.025 1.00 1.00 C ATOM 686 SD MET A 46 0.750 7.536 -9.560 1.00 1.00 S ATOM 687 CE MET A 46 0.573 6.602 -11.090 1.00 1.00 C ATOM 0 H MET A 46 2.494 5.334 -6.476 1.00 1.00 H new ATOM 0 HA MET A 46 0.233 5.475 -8.155 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.183 4.872 -8.569 1.00 1.00 H new ATOM 0 HB3 MET A 46 2.056 4.849 -9.912 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.606 7.222 -8.057 1.00 1.00 H new ATOM 0 HG3 MET A 46 3.110 7.081 -9.730 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.019 7.178 -11.801 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.558 6.406 -11.513 1.00 1.00 H new ATOM 0 HE3 MET A 46 0.073 5.656 -10.883 1.00 1.00 H new ATOM 697 N ASN A 47 1.471 2.473 -7.651 1.00 1.00 N ATOM 698 CA ASN A 47 1.172 1.072 -7.839 1.00 1.00 C ATOM 699 C ASN A 47 -0.214 0.748 -7.285 1.00 1.00 C ATOM 700 O ASN A 47 -0.999 0.045 -7.923 1.00 1.00 O ATOM 701 CB ASN A 47 2.240 0.233 -7.123 1.00 1.00 C ATOM 702 CG ASN A 47 3.482 0.084 -7.997 1.00 1.00 C ATOM 703 OD1 ASN A 47 3.522 -0.867 -8.884 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 4.439 0.847 -7.864 1.00 1.00 N flip ATOM 0 H ASN A 47 2.280 2.666 -7.060 1.00 1.00 H new ATOM 0 HA ASN A 47 1.177 0.838 -8.904 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.508 0.706 -6.178 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.837 -0.751 -6.884 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.405 1.592 -7.168 1.00 1.00 H new ATOM 0 HD22 ASN A 47 5.266 0.735 -8.450 1.00 1.00 H new ATOM 711 N LEU A 48 -0.513 1.266 -6.100 1.00 1.00 N ATOM 712 CA LEU A 48 -1.809 1.023 -5.478 1.00 1.00 C ATOM 713 C LEU A 48 -2.908 1.743 -6.240 1.00 1.00 C ATOM 714 O LEU A 48 -3.981 1.184 -6.483 1.00 1.00 O ATOM 715 CB LEU A 48 -1.781 1.516 -4.031 1.00 1.00 C ATOM 716 CG LEU A 48 -0.711 0.741 -3.250 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.515 1.383 -1.881 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.136 -0.716 -3.055 1.00 1.00 C ATOM 0 H LEU A 48 0.118 1.852 -5.554 1.00 1.00 H new ATOM 0 HA LEU A 48 -2.013 -0.048 -5.498 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.565 2.584 -4.003 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.758 1.376 -3.568 1.00 1.00 H new ATOM 0 HG LEU A 48 0.219 0.770 -3.818 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.245 0.832 -1.326 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.195 2.417 -2.007 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.455 1.359 -1.330 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.364 -1.249 -2.499 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -2.073 -0.750 -2.499 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.274 -1.188 -4.028 1.00 1.00 H new ATOM 730 N GLU A 49 -2.637 2.986 -6.618 1.00 1.00 N ATOM 731 CA GLU A 49 -3.613 3.777 -7.350 1.00 1.00 C ATOM 732 C GLU A 49 -3.820 3.198 -8.742 1.00 1.00 C ATOM 733 O GLU A 49 -4.948 3.105 -9.224 1.00 1.00 O ATOM 734 CB GLU A 49 -3.140 5.227 -7.464 1.00 1.00 C ATOM 735 CG GLU A 49 -4.293 6.105 -7.963 1.00 1.00 C ATOM 736 CD GLU A 49 -3.787 7.518 -8.231 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.774 7.645 -8.902 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.414 8.452 -7.762 1.00 1.00 O ATOM 0 H GLU A 49 -1.756 3.464 -6.431 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.558 3.751 -6.807 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.791 5.584 -6.495 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.296 5.292 -8.151 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.717 5.682 -8.874 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.091 6.129 -7.221 1.00 1.00 H new ATOM 745 N GLU A 50 -2.721 2.808 -9.385 1.00 1.00 N ATOM 746 CA GLU A 50 -2.797 2.237 -10.724 1.00 1.00 C ATOM 747 C GLU A 50 -3.495 0.880 -10.693 1.00 1.00 C ATOM 748 O GLU A 50 -4.305 0.572 -11.565 1.00 1.00 O ATOM 749 CB GLU A 50 -1.390 2.074 -11.306 1.00 1.00 C ATOM 750 CG GLU A 50 -1.479 1.686 -12.785 1.00 1.00 C ATOM 751 CD GLU A 50 -2.039 2.850 -13.596 1.00 1.00 C ATOM 752 OE1 GLU A 50 -1.965 3.968 -13.116 1.00 1.00 O ATOM 753 OE2 GLU A 50 -2.533 2.604 -14.683 1.00 1.00 O ATOM 0 H GLU A 50 -1.777 2.877 -9.004 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.374 2.916 -11.352 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.832 3.004 -11.198 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.845 1.310 -10.753 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.492 1.414 -13.158 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -2.117 0.810 -12.902 1.00 1.00 H new ATOM 760 N GLU A 51 -3.172 0.065 -9.688 1.00 1.00 N ATOM 761 CA GLU A 51 -3.774 -1.256 -9.576 1.00 1.00 C ATOM 762 C GLU A 51 -5.284 -1.145 -9.387 1.00 1.00 C ATOM 763 O GLU A 51 -6.057 -1.763 -10.119 1.00 1.00 O ATOM 764 CB GLU A 51 -3.164 -1.997 -8.385 1.00 1.00 C ATOM 765 CG GLU A 51 -3.640 -3.451 -8.377 1.00 1.00 C ATOM 766 CD GLU A 51 -3.012 -4.207 -9.542 1.00 1.00 C ATOM 767 OE1 GLU A 51 -2.140 -3.647 -10.184 1.00 1.00 O ATOM 768 OE2 GLU A 51 -3.415 -5.334 -9.777 1.00 1.00 O ATOM 0 H GLU A 51 -2.506 0.295 -8.951 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.577 -1.808 -10.495 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -2.076 -1.962 -8.442 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.450 -1.506 -7.455 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -3.369 -3.927 -7.435 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.727 -3.488 -8.451 1.00 1.00 H new ATOM 775 N PHE A 52 -5.699 -0.353 -8.403 1.00 1.00 N ATOM 776 CA PHE A 52 -7.123 -0.170 -8.131 1.00 1.00 C ATOM 777 C PHE A 52 -7.694 0.944 -9.001 1.00 1.00 C ATOM 778 O PHE A 52 -8.901 1.174 -9.008 1.00 1.00 O ATOM 779 CB PHE A 52 -7.330 0.164 -6.653 1.00 1.00 C ATOM 780 CG PHE A 52 -7.140 -1.082 -5.826 1.00 1.00 C ATOM 781 CD1 PHE A 52 -8.131 -2.070 -5.819 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.976 -1.251 -5.067 1.00 1.00 C ATOM 783 CE1 PHE A 52 -7.957 -3.227 -5.054 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.806 -2.408 -4.302 1.00 1.00 C ATOM 785 CZ PHE A 52 -6.797 -3.394 -4.297 1.00 1.00 C ATOM 0 H PHE A 52 -5.077 0.168 -7.785 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.646 -1.097 -8.367 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.623 0.933 -6.340 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.330 0.568 -6.497 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -9.029 -1.939 -6.404 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -5.211 -0.489 -5.073 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -8.720 -3.991 -5.049 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.909 -2.540 -3.715 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.664 -4.288 -3.705 1.00 1.00 H new ATOM 795 N GLY A 53 -6.820 1.625 -9.742 1.00 1.00 N ATOM 796 CA GLY A 53 -7.257 2.705 -10.621 1.00 1.00 C ATOM 797 C GLY A 53 -8.055 3.747 -9.848 1.00 1.00 C ATOM 798 O GLY A 53 -8.932 4.410 -10.404 1.00 1.00 O ATOM 0 H GLY A 53 -5.815 1.449 -9.751 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.390 3.176 -11.084 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.867 2.298 -11.427 1.00 1.00 H new ATOM 802 N ILE A 54 -7.751 3.888 -8.560 1.00 1.00 N ATOM 803 CA ILE A 54 -8.454 4.852 -7.721 1.00 1.00 C ATOM 804 C ILE A 54 -7.754 6.204 -7.762 1.00 1.00 C ATOM 805 O ILE A 54 -6.909 6.449 -8.620 1.00 1.00 O ATOM 806 CB ILE A 54 -8.516 4.334 -6.282 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.093 4.016 -5.805 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.403 3.070 -6.211 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.108 3.651 -4.324 1.00 1.00 C ATOM 0 H ILE A 54 -7.029 3.352 -8.079 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.468 4.978 -8.101 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.953 5.095 -5.635 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.681 3.191 -6.387 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.445 4.877 -5.969 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.441 2.709 -5.183 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.411 3.313 -6.547 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.984 2.295 -6.852 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.094 3.427 -3.994 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.500 4.488 -3.747 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.741 2.777 -4.171 1.00 1.00 H new ATOM 821 N ASN A 55 -8.120 7.083 -6.830 1.00 1.00 N ATOM 822 CA ASN A 55 -7.527 8.420 -6.758 1.00 1.00 C ATOM 823 C ASN A 55 -6.946 8.657 -5.371 1.00 1.00 C ATOM 824 O ASN A 55 -7.682 8.883 -4.408 1.00 1.00 O ATOM 825 CB ASN A 55 -8.594 9.481 -7.066 1.00 1.00 C ATOM 826 CG ASN A 55 -9.936 9.056 -6.480 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.870 8.759 -7.225 1.00 1.00 O ATOM 828 ND2 ASN A 55 -10.090 9.006 -5.186 1.00 1.00 N ATOM 0 H ASN A 55 -8.823 6.895 -6.115 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.727 8.494 -7.495 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -8.294 10.442 -6.649 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.685 9.615 -8.144 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.985 8.720 -4.790 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.315 9.252 -4.570 1.00 1.00 H new ATOM 835 N VAL A 56 -5.619 8.610 -5.270 1.00 1.00 N ATOM 836 CA VAL A 56 -4.946 8.822 -3.991 1.00 1.00 C ATOM 837 C VAL A 56 -4.228 10.168 -4.001 1.00 1.00 C ATOM 838 O VAL A 56 -3.449 10.462 -4.907 1.00 1.00 O ATOM 839 CB VAL A 56 -3.926 7.703 -3.743 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.094 8.034 -2.494 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.658 6.366 -3.539 1.00 1.00 C ATOM 0 H VAL A 56 -4.992 8.428 -6.054 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.691 8.813 -3.195 1.00 1.00 H new ATOM 0 HB VAL A 56 -3.266 7.620 -4.606 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.370 7.239 -2.318 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.568 8.977 -2.646 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -3.753 8.122 -1.630 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.929 5.575 -3.363 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.324 6.443 -2.679 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -5.241 6.131 -4.429 1.00 1.00 H new ATOM 851 N ASP A 57 -4.501 10.978 -2.982 1.00 1.00 N ATOM 852 CA ASP A 57 -3.882 12.295 -2.863 1.00 1.00 C ATOM 853 C ASP A 57 -2.595 12.203 -2.055 1.00 1.00 C ATOM 854 O ASP A 57 -2.465 11.362 -1.167 1.00 1.00 O ATOM 855 CB ASP A 57 -4.850 13.266 -2.184 1.00 1.00 C ATOM 856 CG ASP A 57 -6.003 13.598 -3.127 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.887 13.293 -4.302 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.984 14.151 -2.659 1.00 1.00 O ATOM 0 H ASP A 57 -5.146 10.746 -2.227 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.646 12.662 -3.862 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.236 12.825 -1.265 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.325 14.179 -1.903 1.00 1.00 H new ATOM 863 N GLU A 58 -1.645 13.080 -2.367 1.00 1.00 N ATOM 864 CA GLU A 58 -0.369 13.091 -1.664 1.00 1.00 C ATOM 865 C GLU A 58 -0.592 13.253 -0.168 1.00 1.00 C ATOM 866 O GLU A 58 0.291 12.956 0.634 1.00 1.00 O ATOM 867 CB GLU A 58 0.489 14.246 -2.180 1.00 1.00 C ATOM 868 CG GLU A 58 0.866 14.021 -3.653 1.00 1.00 C ATOM 869 CD GLU A 58 -0.291 14.425 -4.566 1.00 1.00 C ATOM 870 OE1 GLU A 58 -1.338 14.771 -4.046 1.00 1.00 O ATOM 871 OE2 GLU A 58 -0.108 14.387 -5.772 1.00 1.00 O ATOM 0 H GLU A 58 -1.735 13.787 -3.097 1.00 1.00 H new ATOM 0 HA GLU A 58 0.141 12.145 -1.845 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.055 15.185 -2.077 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.393 14.333 -1.577 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.754 14.603 -3.901 1.00 1.00 H new ATOM 0 HG3 GLU A 58 1.117 12.973 -3.815 1.00 1.00 H new ATOM 878 N ASP A 59 -1.781 13.715 0.205 1.00 1.00 N ATOM 879 CA ASP A 59 -2.102 13.902 1.615 1.00 1.00 C ATOM 880 C ASP A 59 -2.533 12.585 2.232 1.00 1.00 C ATOM 881 O ASP A 59 -2.495 12.415 3.450 1.00 1.00 O ATOM 882 CB ASP A 59 -3.226 14.930 1.767 1.00 1.00 C ATOM 883 CG ASP A 59 -3.301 15.412 3.212 1.00 1.00 C ATOM 884 OD1 ASP A 59 -2.771 14.728 4.072 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.883 16.460 3.437 1.00 1.00 O ATOM 0 H ASP A 59 -2.530 13.964 -0.441 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.212 14.264 2.129 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.049 15.775 1.102 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -4.177 14.487 1.473 1.00 1.00 H new ATOM 890 N LYS A 60 -2.956 11.651 1.383 1.00 1.00 N ATOM 891 CA LYS A 60 -3.401 10.346 1.854 1.00 1.00 C ATOM 892 C LYS A 60 -2.270 9.333 1.764 1.00 1.00 C ATOM 893 O LYS A 60 -2.378 8.228 2.279 1.00 1.00 O ATOM 894 CB LYS A 60 -4.607 9.878 1.012 1.00 1.00 C ATOM 895 CG LYS A 60 -5.927 10.100 1.769 1.00 1.00 C ATOM 896 CD LYS A 60 -6.030 9.137 2.963 1.00 1.00 C ATOM 897 CE LYS A 60 -7.491 8.976 3.379 1.00 1.00 C ATOM 898 NZ LYS A 60 -7.542 8.439 4.764 1.00 1.00 N ATOM 0 H LYS A 60 -2.999 11.774 0.371 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.702 10.429 2.898 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -4.629 10.422 0.068 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.497 8.821 0.768 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -5.984 11.131 2.119 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -6.770 9.945 1.096 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.610 8.167 2.696 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.445 9.518 3.800 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.005 9.936 3.328 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -8.006 8.302 2.694 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -8.419 7.895 4.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.723 7.819 4.926 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.520 9.227 5.443 1.00 1.00 H new ATOM 912 N ALA A 61 -1.186 9.708 1.107 1.00 1.00 N ATOM 913 CA ALA A 61 -0.044 8.811 0.960 1.00 1.00 C ATOM 914 C ALA A 61 1.214 9.462 1.508 1.00 1.00 C ATOM 915 O ALA A 61 2.294 9.312 0.944 1.00 1.00 O ATOM 916 CB ALA A 61 0.156 8.475 -0.516 1.00 1.00 C ATOM 0 H ALA A 61 -1.069 10.621 0.668 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.240 7.897 1.521 1.00 1.00 H new ATOM 0 HB1 ALA A 61 1.009 7.805 -0.624 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.739 7.988 -0.903 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.341 9.392 -1.076 1.00 1.00 H new ATOM 922 N GLN A 62 1.068 10.189 2.616 1.00 1.00 N ATOM 923 CA GLN A 62 2.206 10.865 3.245 1.00 1.00 C ATOM 924 C GLN A 62 2.457 10.308 4.642 1.00 1.00 C ATOM 925 O GLN A 62 3.592 10.287 5.119 1.00 1.00 O ATOM 926 CB GLN A 62 1.939 12.368 3.338 1.00 1.00 C ATOM 927 CG GLN A 62 0.629 12.613 4.088 1.00 1.00 C ATOM 928 CD GLN A 62 0.389 14.111 4.238 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.980 14.911 3.512 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.446 14.540 5.146 1.00 1.00 N ATOM 0 H GLN A 62 0.178 10.325 3.096 1.00 1.00 H new ATOM 0 HA GLN A 62 3.089 10.690 2.630 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.762 12.862 3.854 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.884 12.800 2.339 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.200 12.155 3.548 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.669 12.142 5.070 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.934 13.874 5.746 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -0.610 15.541 5.256 1.00 1.00 H new ATOM 939 N ASP A 63 1.387 9.865 5.301 1.00 1.00 N ATOM 940 CA ASP A 63 1.495 9.314 6.652 1.00 1.00 C ATOM 941 C ASP A 63 0.559 8.121 6.836 1.00 1.00 C ATOM 942 O ASP A 63 -0.247 8.090 7.769 1.00 1.00 O ATOM 943 CB ASP A 63 1.155 10.396 7.677 1.00 1.00 C ATOM 944 CG ASP A 63 2.294 11.407 7.769 1.00 1.00 C ATOM 945 OD1 ASP A 63 3.390 11.082 7.342 1.00 1.00 O ATOM 946 OD2 ASP A 63 2.055 12.492 8.273 1.00 1.00 O ATOM 0 H ASP A 63 0.439 9.876 4.924 1.00 1.00 H new ATOM 0 HA ASP A 63 2.519 8.972 6.801 1.00 1.00 H new ATOM 0 HB2 ASP A 63 0.232 10.901 7.392 1.00 1.00 H new ATOM 0 HB3 ASP A 63 0.981 9.942 8.653 1.00 1.00 H new ATOM 951 N ILE A 64 0.678 7.140 5.946 1.00 1.00 N ATOM 952 CA ILE A 64 -0.152 5.937 6.023 1.00 1.00 C ATOM 953 C ILE A 64 0.514 4.885 6.896 1.00 1.00 C ATOM 954 O ILE A 64 1.687 4.556 6.720 1.00 1.00 O ATOM 955 CB ILE A 64 -0.396 5.378 4.616 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.223 6.382 3.796 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.140 4.047 4.700 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.612 6.627 4.438 1.00 1.00 C ATOM 0 H ILE A 64 1.336 7.152 5.167 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.110 6.202 6.471 1.00 1.00 H new ATOM 0 HB ILE A 64 0.565 5.216 4.128 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.683 7.326 3.722 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.351 6.007 2.780 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.308 3.660 3.695 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.545 3.333 5.269 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.099 4.197 5.196 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.171 7.341 3.834 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.161 5.686 4.488 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.483 7.026 5.444 1.00 1.00 H new ATOM 970 N SER A 65 -0.259 4.362 7.841 1.00 1.00 N ATOM 971 CA SER A 65 0.238 3.337 8.751 1.00 1.00 C ATOM 972 C SER A 65 0.463 2.038 7.995 1.00 1.00 C ATOM 973 O SER A 65 0.404 2.017 6.773 1.00 1.00 O ATOM 974 CB SER A 65 -0.753 3.122 9.902 1.00 1.00 C ATOM 975 OG SER A 65 -0.513 4.091 10.909 1.00 1.00 O ATOM 0 H SER A 65 -1.231 4.630 7.997 1.00 1.00 H new ATOM 0 HA SER A 65 1.188 3.668 9.171 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.777 3.205 9.537 1.00 1.00 H new ATOM 0 HB3 SER A 65 -0.641 2.118 10.312 1.00 1.00 H new ATOM 0 HG SER A 65 -1.145 3.960 11.647 1.00 1.00 H new ATOM 981 N THR A 66 0.753 0.975 8.732 1.00 1.00 N ATOM 982 CA THR A 66 1.015 -0.328 8.131 1.00 1.00 C ATOM 983 C THR A 66 0.004 -0.645 7.033 1.00 1.00 C ATOM 984 O THR A 66 -0.821 0.185 6.656 1.00 1.00 O ATOM 985 CB THR A 66 0.968 -1.416 9.208 1.00 1.00 C ATOM 986 OG1 THR A 66 1.465 -2.634 8.673 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.468 -1.624 9.677 1.00 1.00 C ATOM 0 H THR A 66 0.813 0.988 9.750 1.00 1.00 H new ATOM 0 HA THR A 66 2.007 -0.300 7.681 1.00 1.00 H new ATOM 0 HB THR A 66 1.582 -1.105 10.053 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.734 -3.283 8.602 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.492 -2.399 10.443 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.854 -0.693 10.091 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.086 -1.929 8.832 1.00 1.00 H new ATOM 995 N ILE A 67 0.071 -1.856 6.514 1.00 1.00 N ATOM 996 CA ILE A 67 -0.833 -2.251 5.446 1.00 1.00 C ATOM 997 C ILE A 67 -2.288 -2.163 5.905 1.00 1.00 C ATOM 998 O ILE A 67 -3.151 -1.695 5.165 1.00 1.00 O ATOM 999 CB ILE A 67 -0.522 -3.683 5.012 1.00 1.00 C ATOM 1000 CG1 ILE A 67 0.849 -3.722 4.335 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.587 -4.168 4.029 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.333 -5.173 4.241 1.00 1.00 C ATOM 0 H ILE A 67 0.731 -2.576 6.808 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.691 -1.571 4.606 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.518 -4.332 5.888 1.00 1.00 H new ATOM 0 HG12 ILE A 67 0.787 -3.283 3.339 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.563 -3.125 4.902 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.361 -5.189 3.722 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.565 -4.141 4.510 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.596 -3.520 3.153 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.310 -5.200 3.758 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.411 -5.596 5.242 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.623 -5.756 3.655 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.552 -2.625 7.119 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.913 -2.602 7.651 1.00 1.00 C ATOM 1016 C GLN A 68 -4.615 -1.290 7.308 1.00 1.00 C ATOM 1017 O GLN A 68 -5.684 -1.291 6.702 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.876 -2.770 9.171 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.425 -4.191 9.527 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.598 -5.158 9.397 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -4.972 -5.562 8.216 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -5.205 -5.535 10.400 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.853 -3.017 7.750 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.468 -3.423 7.198 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.194 -2.042 9.610 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.863 -2.576 9.591 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.614 -4.500 8.868 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.035 -4.214 10.545 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.911 -5.218 11.324 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -6.002 -6.165 10.307 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.012 -0.171 7.698 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.602 1.128 7.424 1.00 1.00 C ATOM 1033 C GLN A 69 -4.604 1.422 5.924 1.00 1.00 C ATOM 1034 O GLN A 69 -5.578 1.948 5.387 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.807 2.211 8.158 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.706 3.409 8.432 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.886 4.583 8.960 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -3.548 4.622 10.144 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -3.539 5.542 8.147 1.00 1.00 N ATOM 0 H GLN A 69 -3.124 -0.140 8.199 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.634 1.122 7.774 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.415 1.816 9.095 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -2.950 2.517 7.558 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.222 3.701 7.517 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -5.472 3.137 9.158 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -3.820 5.507 7.167 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -2.986 6.327 8.491 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.502 1.090 5.259 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.388 1.342 3.828 1.00 1.00 C ATOM 1050 C ALA A 70 -4.537 0.683 3.073 1.00 1.00 C ATOM 1051 O ALA A 70 -5.142 1.290 2.192 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.059 0.795 3.311 1.00 1.00 C ATOM 0 H ALA A 70 -2.684 0.651 5.682 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.431 2.419 3.662 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -1.979 0.986 2.241 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.236 1.287 3.830 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.012 -0.279 3.493 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.837 -0.558 3.430 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.917 -1.291 2.781 1.00 1.00 C ATOM 1060 C ALA A 71 -7.252 -0.595 3.020 1.00 1.00 C ATOM 1061 O ALA A 71 -8.108 -0.554 2.137 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.977 -2.713 3.329 1.00 1.00 C ATOM 0 H ALA A 71 -4.351 -1.077 4.161 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.723 -1.321 1.709 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.786 -3.257 2.841 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.031 -3.218 3.135 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.157 -2.682 4.403 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.427 -0.054 4.221 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.669 0.631 4.563 1.00 1.00 C ATOM 1070 C ASP A 72 -8.841 1.882 3.700 1.00 1.00 C ATOM 1071 O ASP A 72 -9.952 2.209 3.283 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.655 1.025 6.051 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.127 -0.140 6.916 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.234 -0.603 6.696 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.371 -0.553 7.780 1.00 1.00 O ATOM 0 H ASP A 72 -6.732 -0.076 4.968 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.504 -0.044 4.375 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.648 1.320 6.346 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.300 1.889 6.211 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.740 2.578 3.445 1.00 1.00 N ATOM 1081 CA VAL A 73 -7.796 3.793 2.639 1.00 1.00 C ATOM 1082 C VAL A 73 -8.269 3.478 1.223 1.00 1.00 C ATOM 1083 O VAL A 73 -9.103 4.188 0.666 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.412 4.450 2.595 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.406 5.603 1.584 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.054 4.995 3.983 1.00 1.00 C ATOM 0 H VAL A 73 -6.809 2.328 3.779 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.508 4.481 3.095 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.679 3.702 2.293 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.418 6.062 1.562 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.651 5.220 0.593 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.145 6.348 1.877 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.069 5.461 3.948 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -6.795 5.735 4.286 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.043 4.177 4.703 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.726 2.413 0.644 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.097 2.029 -0.712 1.00 1.00 C ATOM 1098 C ILE A 74 -9.588 1.704 -0.774 1.00 1.00 C ATOM 1099 O ILE A 74 -10.285 2.129 -1.695 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.263 0.808 -1.152 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.852 1.261 -1.560 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.938 0.092 -2.335 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.894 0.075 -1.499 1.00 1.00 C ATOM 0 H ILE A 74 -7.035 1.807 1.086 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.894 2.859 -1.389 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.194 0.114 -0.314 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.870 1.675 -2.568 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.508 2.054 -0.896 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.336 -0.767 -2.632 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.930 -0.246 -2.037 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -8.026 0.781 -3.175 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.895 0.399 -1.789 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.867 -0.319 -0.483 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.235 -0.704 -2.181 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.067 0.952 0.207 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.474 0.582 0.242 1.00 1.00 C ATOM 1117 C GLU A 75 -12.350 1.828 0.239 1.00 1.00 C ATOM 1118 O GLU A 75 -13.358 1.889 -0.465 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.755 -0.258 1.492 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.264 -1.689 1.266 1.00 1.00 C ATOM 1121 CD GLU A 75 -12.193 -2.401 0.286 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -13.329 -1.975 0.164 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.761 -3.368 -0.316 1.00 1.00 O ATOM 0 H GLU A 75 -9.509 0.590 0.981 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.708 -0.007 -0.645 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.253 0.178 2.356 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.823 -0.259 1.710 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.247 -1.678 0.875 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -11.236 -2.228 2.213 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.948 2.824 1.019 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.693 4.077 1.094 1.00 1.00 C ATOM 1132 C GLY A 76 -12.596 4.838 -0.215 1.00 1.00 C ATOM 1133 O GLY A 76 -13.450 5.666 -0.530 1.00 1.00 O ATOM 0 H GLY A 76 -11.115 2.790 1.606 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.738 3.871 1.324 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.303 4.690 1.906 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.538 4.562 -0.975 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.329 5.243 -2.252 1.00 1.00 C ATOM 1139 C LEU A 77 -12.063 4.535 -3.385 1.00 1.00 C ATOM 1140 O LEU A 77 -12.179 5.059 -4.492 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.829 5.301 -2.560 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.160 6.329 -1.635 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.642 6.180 -1.739 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.564 7.764 -2.034 1.00 1.00 C ATOM 0 H LEU A 77 -10.819 3.880 -0.733 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.730 6.253 -2.172 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.379 4.319 -2.417 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.671 5.576 -3.603 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.486 6.149 -0.611 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.159 6.906 -1.085 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.354 5.173 -1.438 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.329 6.354 -2.768 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.080 8.477 -1.367 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.252 7.958 -3.060 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.646 7.872 -1.957 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.549 3.339 -3.105 1.00 1.00 N ATOM 1157 CA LEU A 78 -13.275 2.552 -4.097 1.00 1.00 C ATOM 1158 C LEU A 78 -14.783 2.707 -3.926 1.00 1.00 C ATOM 1159 O LEU A 78 -15.568 2.203 -4.727 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.903 1.084 -3.936 1.00 1.00 C ATOM 1161 CG LEU A 78 -11.513 0.812 -4.551 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.853 -0.384 -3.860 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -11.640 0.507 -6.050 1.00 1.00 C ATOM 0 H LEU A 78 -12.456 2.886 -2.196 1.00 1.00 H new ATOM 0 HA LEU A 78 -13.002 2.909 -5.090 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.899 0.817 -2.879 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.651 0.457 -4.421 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.901 1.703 -4.410 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.874 -0.565 -4.303 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.737 -0.172 -2.797 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.478 -1.268 -3.987 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -10.651 0.318 -6.468 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -12.268 -0.373 -6.190 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -12.091 1.359 -6.558 1.00 1.00 H new ATOM 1175 N GLU A 79 -15.178 3.373 -2.859 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.600 3.542 -2.561 1.00 1.00 C ATOM 1177 C GLU A 79 -17.333 4.246 -3.686 1.00 1.00 C ATOM 1178 O GLU A 79 -18.272 3.716 -4.271 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.758 4.382 -1.299 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.215 3.605 -0.111 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.279 4.449 1.161 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.685 5.597 1.076 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -15.923 3.932 2.210 1.00 1.00 O ATOM 0 H GLU A 79 -14.546 3.805 -2.185 1.00 1.00 H new ATOM 0 HA GLU A 79 -17.026 2.547 -2.431 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.224 5.326 -1.407 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.808 4.627 -1.140 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.791 2.689 0.025 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.184 3.308 -0.305 1.00 1.00 H new