USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 539 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 30 CYS SG : rot -21:sc= 0.0964 USER MOD Set 1.2: A 37 MET CE :methyl 145:sc= -1.08 (180deg=-3.53!) USER MOD Set 2.1: A 28 MET CE :methyl -136:sc= -1.81 (180deg=-1.33) USER MOD Set 2.2: A 45 CYS SG : rot 67:sc= -1.28 USER MOD Set 3.1: A 4 THR OG1 : rot -112:sc= -1.92! USER MOD Set 3.2: A 7 MET CE :methyl -129:sc= 0 (180deg=-0.264) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.141 (180deg=-0.605) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00587) USER MOD Single : A 2 LYS NZ :NH3+ -133:sc= -0.184 (180deg=-3.44!) USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= 0.282 (180deg=0.27) USER MOD Single : A 14 GLN : amide:sc= -0.591 K(o=-0.59,f=-4.5!) USER MOD Single : A 15 MET CE :methyl -123:sc= -0.77 (180deg=-2.82) USER MOD Single : A 19 THR OG1 : rot -80:sc= -0.289 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 26 ASN : amide:sc= 0.362 K(o=0.36,f=-0.57) USER MOD Single : A 29 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=-0.011) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.282 USER MOD Single : A 40 SER OG : rot -99:sc= 0.774 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.344 F(o=-1.3,f=-0.34) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= -0.349! (180deg=-0.502) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 1.13 (180deg=1.05) USER MOD Single : A 60 ASN : amide:sc= -2.99! C(o=-3!,f=-12!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0511 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.699 1.960 7.059 1.00 0.00 N ATOM 2 CA MET A 1 11.825 0.522 6.697 1.00 52.33 C ATOM 3 C MET A 1 11.551 0.290 5.208 1.00 52.42 C ATOM 4 O MET A 1 10.650 0.896 4.632 1.00 41.44 O ATOM 5 CB MET A 1 10.853 -0.340 7.520 1.00 52.21 C ATOM 6 CG MET A 1 11.147 -0.370 9.014 1.00 71.31 C ATOM 7 SD MET A 1 10.036 -1.476 9.912 1.00 23.54 S ATOM 8 CE MET A 1 8.444 -0.727 9.567 1.00 15.30 C ATOM 0 H1 MET A 1 11.924 2.085 8.067 1.00 0.00 H new ATOM 0 H2 MET A 1 12.359 2.522 6.484 1.00 0.00 H new ATOM 0 H3 MET A 1 10.726 2.279 6.880 1.00 0.00 H new ATOM 0 HA MET A 1 12.852 0.231 6.919 1.00 52.33 H new ATOM 0 HB2 MET A 1 9.840 0.032 7.369 1.00 52.21 H new ATOM 0 HB3 MET A 1 10.878 -1.360 7.137 1.00 52.21 H new ATOM 0 HG2 MET A 1 12.178 -0.687 9.172 1.00 71.31 H new ATOM 0 HG3 MET A 1 11.058 0.638 9.419 1.00 71.31 H new ATOM 0 HE1 MET A 1 7.710 -1.085 10.289 1.00 15.30 H new ATOM 0 HE2 MET A 1 8.528 0.357 9.642 1.00 15.30 H new ATOM 0 HE3 MET A 1 8.125 -0.998 8.560 1.00 15.30 H new ATOM 20 N LYS A 2 12.332 -0.592 4.592 1.00 24.05 N ATOM 21 CA LYS A 2 12.092 -1.002 3.206 1.00 24.54 C ATOM 22 C LYS A 2 10.853 -1.922 3.140 1.00 33.15 C ATOM 23 O LYS A 2 10.910 -3.088 3.548 1.00 45.41 O ATOM 24 CB LYS A 2 13.342 -1.706 2.647 1.00 13.51 C ATOM 25 CG LYS A 2 13.244 -2.117 1.177 1.00 55.33 C ATOM 26 CD LYS A 2 13.143 -0.919 0.222 1.00 51.13 C ATOM 27 CE LYS A 2 14.456 -0.145 0.074 1.00 3.21 C ATOM 28 NZ LYS A 2 14.761 0.709 1.253 1.00 5.32 N ATOM 0 H LYS A 2 13.138 -1.039 5.028 1.00 24.05 H new ATOM 0 HA LYS A 2 11.895 -0.123 2.592 1.00 24.54 H new ATOM 0 HB2 LYS A 2 14.199 -1.044 2.768 1.00 13.51 H new ATOM 0 HB3 LYS A 2 13.539 -2.595 3.246 1.00 13.51 H new ATOM 0 HG2 LYS A 2 14.119 -2.712 0.913 1.00 55.33 H new ATOM 0 HG3 LYS A 2 12.371 -2.756 1.042 1.00 55.33 H new ATOM 0 HD2 LYS A 2 12.826 -1.272 -0.759 1.00 51.13 H new ATOM 0 HD3 LYS A 2 12.369 -0.241 0.582 1.00 51.13 H new ATOM 0 HE2 LYS A 2 15.273 -0.851 -0.078 1.00 3.21 H new ATOM 0 HE3 LYS A 2 14.405 0.480 -0.817 1.00 3.21 H new ATOM 0 HZ1 LYS A 2 15.041 1.657 0.931 1.00 5.32 H new ATOM 0 HZ2 LYS A 2 13.917 0.783 1.856 1.00 5.32 H new ATOM 0 HZ3 LYS A 2 15.539 0.284 1.798 1.00 5.32 H new ATOM 42 N ILE A 3 9.742 -1.375 2.644 1.00 71.34 N ATOM 43 CA ILE A 3 8.438 -2.058 2.641 1.00 12.20 C ATOM 44 C ILE A 3 8.479 -3.418 1.925 1.00 33.21 C ATOM 45 O ILE A 3 9.068 -3.557 0.850 1.00 1.34 O ATOM 46 CB ILE A 3 7.350 -1.171 1.974 1.00 44.53 C ATOM 47 CG1 ILE A 3 7.256 0.191 2.681 1.00 52.33 C ATOM 48 CG2 ILE A 3 5.990 -1.875 1.975 1.00 34.34 C ATOM 49 CD1 ILE A 3 6.856 0.102 4.139 1.00 32.53 C ATOM 0 H ILE A 3 9.716 -0.443 2.231 1.00 71.34 H new ATOM 0 HA ILE A 3 8.189 -2.234 3.687 1.00 12.20 H new ATOM 0 HB ILE A 3 7.640 -1.003 0.937 1.00 44.53 H new ATOM 0 HG12 ILE A 3 8.221 0.693 2.610 1.00 52.33 H new ATOM 0 HG13 ILE A 3 6.533 0.813 2.154 1.00 52.33 H new ATOM 0 HG21 ILE A 3 5.247 -1.232 1.503 1.00 34.34 H new ATOM 0 HG22 ILE A 3 6.064 -2.811 1.422 1.00 34.34 H new ATOM 0 HG23 ILE A 3 5.689 -2.083 3.002 1.00 34.34 H new ATOM 0 HD11 ILE A 3 6.812 1.104 4.566 1.00 32.53 H new ATOM 0 HD12 ILE A 3 5.877 -0.370 4.219 1.00 32.53 H new ATOM 0 HD13 ILE A 3 7.591 -0.492 4.682 1.00 32.53 H new ATOM 61 N THR A 4 7.825 -4.408 2.527 1.00 43.25 N ATOM 62 CA THR A 4 7.738 -5.757 1.955 1.00 74.52 C ATOM 63 C THR A 4 6.280 -6.114 1.648 1.00 62.14 C ATOM 64 O THR A 4 5.360 -5.569 2.260 1.00 15.40 O ATOM 65 CB THR A 4 8.314 -6.823 2.918 1.00 30.12 C ATOM 66 OG1 THR A 4 7.485 -6.941 4.084 1.00 72.34 O ATOM 67 CG2 THR A 4 9.737 -6.472 3.338 1.00 43.12 C ATOM 0 H THR A 4 7.342 -4.303 3.419 1.00 43.25 H new ATOM 0 HA THR A 4 8.326 -5.754 1.037 1.00 74.52 H new ATOM 0 HB THR A 4 8.333 -7.775 2.388 1.00 30.12 H new ATOM 0 HG1 THR A 4 7.972 -6.609 4.867 1.00 72.34 H new ATOM 0 HG21 THR A 4 10.116 -7.238 4.014 1.00 43.12 H new ATOM 0 HG22 THR A 4 10.374 -6.419 2.455 1.00 43.12 H new ATOM 0 HG23 THR A 4 9.739 -5.507 3.845 1.00 43.12 H new ATOM 75 N LYS A 5 6.061 -7.041 0.718 1.00 21.34 N ATOM 76 CA LYS A 5 4.700 -7.429 0.330 1.00 33.25 C ATOM 77 C LYS A 5 3.985 -8.187 1.460 1.00 45.23 C ATOM 78 O LYS A 5 2.767 -8.377 1.426 1.00 14.50 O ATOM 79 CB LYS A 5 4.749 -8.284 -0.937 1.00 54.13 C ATOM 80 CG LYS A 5 5.627 -9.515 -0.794 1.00 24.55 C ATOM 81 CD LYS A 5 5.853 -10.214 -2.125 1.00 44.42 C ATOM 82 CE LYS A 5 6.763 -11.417 -1.956 1.00 21.10 C ATOM 83 NZ LYS A 5 6.094 -12.528 -1.222 1.00 60.31 N ATOM 0 H LYS A 5 6.801 -7.537 0.220 1.00 21.34 H new ATOM 0 HA LYS A 5 4.130 -6.521 0.133 1.00 33.25 H new ATOM 0 HB2 LYS A 5 3.737 -8.595 -1.197 1.00 54.13 H new ATOM 0 HB3 LYS A 5 5.118 -7.677 -1.764 1.00 54.13 H new ATOM 0 HG2 LYS A 5 6.588 -9.227 -0.369 1.00 24.55 H new ATOM 0 HG3 LYS A 5 5.164 -10.210 -0.094 1.00 24.55 H new ATOM 0 HD2 LYS A 5 4.897 -10.532 -2.541 1.00 44.42 H new ATOM 0 HD3 LYS A 5 6.294 -9.516 -2.837 1.00 44.42 H new ATOM 0 HE2 LYS A 5 7.081 -11.771 -2.937 1.00 21.10 H new ATOM 0 HE3 LYS A 5 7.663 -11.118 -1.418 1.00 21.10 H new ATOM 0 HZ1 LYS A 5 6.740 -13.341 -1.159 1.00 60.31 H new ATOM 0 HZ2 LYS A 5 5.843 -12.210 -0.264 1.00 60.31 H new ATOM 0 HZ3 LYS A 5 5.231 -12.810 -1.730 1.00 60.31 H new ATOM 97 N ASP A 6 4.752 -8.614 2.460 1.00 14.30 N ATOM 98 CA ASP A 6 4.204 -9.320 3.616 1.00 62.32 C ATOM 99 C ASP A 6 3.562 -8.341 4.616 1.00 2.34 C ATOM 100 O ASP A 6 2.702 -8.726 5.413 1.00 21.33 O ATOM 101 CB ASP A 6 5.314 -10.127 4.300 1.00 52.02 C ATOM 102 CG ASP A 6 4.792 -10.991 5.432 1.00 44.45 C ATOM 103 OD1 ASP A 6 4.253 -12.080 5.149 1.00 12.14 O ATOM 104 OD2 ASP A 6 4.922 -10.592 6.611 1.00 23.15 O ATOM 0 H ASP A 6 5.763 -8.482 2.493 1.00 14.30 H new ATOM 0 HA ASP A 6 3.424 -9.998 3.268 1.00 62.32 H new ATOM 0 HB2 ASP A 6 5.806 -10.760 3.562 1.00 52.02 H new ATOM 0 HB3 ASP A 6 6.069 -9.443 4.688 1.00 52.02 H new ATOM 109 N MET A 7 3.979 -7.076 4.561 1.00 3.33 N ATOM 110 CA MET A 7 3.472 -6.048 5.476 1.00 4.04 C ATOM 111 C MET A 7 1.970 -5.781 5.272 1.00 34.12 C ATOM 112 O MET A 7 1.422 -6.000 4.190 1.00 44.44 O ATOM 113 CB MET A 7 4.278 -4.750 5.314 1.00 12.23 C ATOM 114 CG MET A 7 5.734 -4.883 5.736 1.00 21.42 C ATOM 115 SD MET A 7 6.652 -3.338 5.573 1.00 54.33 S ATOM 116 CE MET A 7 8.276 -3.842 6.140 1.00 14.50 C ATOM 0 H MET A 7 4.669 -6.736 3.891 1.00 3.33 H new ATOM 0 HA MET A 7 3.597 -6.422 6.492 1.00 4.04 H new ATOM 0 HB2 MET A 7 4.238 -4.434 4.272 1.00 12.23 H new ATOM 0 HB3 MET A 7 3.807 -3.963 5.904 1.00 12.23 H new ATOM 0 HG2 MET A 7 5.778 -5.219 6.772 1.00 21.42 H new ATOM 0 HG3 MET A 7 6.214 -5.652 5.131 1.00 21.42 H new ATOM 0 HE1 MET A 7 8.627 -3.147 6.903 1.00 14.50 H new ATOM 0 HE2 MET A 7 8.219 -4.846 6.561 1.00 14.50 H new ATOM 0 HE3 MET A 7 8.971 -3.840 5.301 1.00 14.50 H new ATOM 126 N ILE A 8 1.312 -5.313 6.330 1.00 23.32 N ATOM 127 CA ILE A 8 -0.133 -5.049 6.307 1.00 30.35 C ATOM 128 C ILE A 8 -0.451 -3.675 5.681 1.00 61.33 C ATOM 129 O ILE A 8 0.250 -2.694 5.938 1.00 75.52 O ATOM 130 CB ILE A 8 -0.720 -5.106 7.743 1.00 74.51 C ATOM 131 CG1 ILE A 8 -0.396 -6.459 8.407 1.00 1.10 C ATOM 132 CG2 ILE A 8 -2.227 -4.857 7.731 1.00 4.41 C ATOM 133 CD1 ILE A 8 -0.965 -7.660 7.679 1.00 55.34 C ATOM 0 H ILE A 8 1.758 -5.106 7.224 1.00 23.32 H new ATOM 0 HA ILE A 8 -0.592 -5.823 5.692 1.00 30.35 H new ATOM 0 HB ILE A 8 -0.255 -4.314 8.330 1.00 74.51 H new ATOM 0 HG12 ILE A 8 0.686 -6.568 8.474 1.00 1.10 H new ATOM 0 HG13 ILE A 8 -0.779 -6.451 9.427 1.00 1.10 H new ATOM 0 HG21 ILE A 8 -2.611 -4.903 8.750 1.00 4.41 H new ATOM 0 HG22 ILE A 8 -2.430 -3.872 7.311 1.00 4.41 H new ATOM 0 HG23 ILE A 8 -2.717 -5.618 7.124 1.00 4.41 H new ATOM 0 HD11 ILE A 8 -0.692 -8.571 8.211 1.00 55.34 H new ATOM 0 HD12 ILE A 8 -2.051 -7.578 7.635 1.00 55.34 H new ATOM 0 HD13 ILE A 8 -0.562 -7.696 6.667 1.00 55.34 H new ATOM 145 N ILE A 9 -1.515 -3.606 4.871 1.00 12.24 N ATOM 146 CA ILE A 9 -1.913 -2.347 4.214 1.00 44.12 C ATOM 147 C ILE A 9 -2.128 -1.204 5.227 1.00 10.45 C ATOM 148 O ILE A 9 -1.511 -0.142 5.114 1.00 3.24 O ATOM 149 CB ILE A 9 -3.200 -2.533 3.362 1.00 51.30 C ATOM 150 CG1 ILE A 9 -2.954 -3.554 2.235 1.00 50.34 C ATOM 151 CG2 ILE A 9 -3.672 -1.194 2.787 1.00 62.42 C ATOM 152 CD1 ILE A 9 -4.138 -3.748 1.308 1.00 43.34 C ATOM 0 H ILE A 9 -2.116 -4.401 4.653 1.00 12.24 H new ATOM 0 HA ILE A 9 -1.087 -2.072 3.558 1.00 44.12 H new ATOM 0 HB ILE A 9 -3.988 -2.917 4.010 1.00 51.30 H new ATOM 0 HG12 ILE A 9 -2.095 -3.231 1.647 1.00 50.34 H new ATOM 0 HG13 ILE A 9 -2.693 -4.514 2.680 1.00 50.34 H new ATOM 0 HG21 ILE A 9 -4.574 -1.350 2.195 1.00 62.42 H new ATOM 0 HG22 ILE A 9 -3.888 -0.504 3.602 1.00 62.42 H new ATOM 0 HG23 ILE A 9 -2.890 -0.774 2.154 1.00 62.42 H new ATOM 0 HD11 ILE A 9 -3.885 -4.482 0.543 1.00 43.34 H new ATOM 0 HD12 ILE A 9 -4.995 -4.103 1.881 1.00 43.34 H new ATOM 0 HD13 ILE A 9 -4.387 -2.799 0.833 1.00 43.34 H new ATOM 164 N ALA A 10 -2.998 -1.423 6.219 1.00 23.54 N ATOM 165 CA ALA A 10 -3.268 -0.403 7.245 1.00 60.32 C ATOM 166 C ALA A 10 -1.988 -0.011 8.001 1.00 10.31 C ATOM 167 O ALA A 10 -1.805 1.148 8.368 1.00 72.21 O ATOM 168 CB ALA A 10 -4.329 -0.891 8.222 1.00 14.42 C ATOM 0 H ALA A 10 -3.524 -2.289 6.335 1.00 23.54 H new ATOM 0 HA ALA A 10 -3.642 0.485 6.735 1.00 60.32 H new ATOM 0 HB1 ALA A 10 -4.514 -0.122 8.972 1.00 14.42 H new ATOM 0 HB2 ALA A 10 -5.252 -1.100 7.682 1.00 14.42 H new ATOM 0 HB3 ALA A 10 -3.981 -1.800 8.712 1.00 14.42 H new ATOM 174 N ASP A 11 -1.106 -0.989 8.219 1.00 53.44 N ATOM 175 CA ASP A 11 0.183 -0.757 8.884 1.00 21.14 C ATOM 176 C ASP A 11 1.021 0.284 8.119 1.00 40.14 C ATOM 177 O ASP A 11 1.619 1.182 8.716 1.00 1.00 O ATOM 178 CB ASP A 11 0.942 -2.084 9.002 1.00 41.02 C ATOM 179 CG ASP A 11 2.263 -1.954 9.740 1.00 11.43 C ATOM 180 OD1 ASP A 11 2.249 -1.895 10.984 1.00 25.43 O ATOM 181 OD2 ASP A 11 3.324 -1.956 9.083 1.00 43.41 O ATOM 0 H ASP A 11 -1.261 -1.958 7.943 1.00 53.44 H new ATOM 0 HA ASP A 11 -0.002 -0.360 9.882 1.00 21.14 H new ATOM 0 HB2 ASP A 11 0.314 -2.810 9.519 1.00 41.02 H new ATOM 0 HB3 ASP A 11 1.128 -2.479 8.003 1.00 41.02 H new ATOM 186 N VAL A 12 1.052 0.156 6.794 1.00 10.33 N ATOM 187 CA VAL A 12 1.705 1.148 5.936 1.00 13.13 C ATOM 188 C VAL A 12 0.990 2.510 6.033 1.00 31.30 C ATOM 189 O VAL A 12 1.632 3.559 6.149 1.00 22.45 O ATOM 190 CB VAL A 12 1.731 0.678 4.458 1.00 60.34 C ATOM 191 CG1 VAL A 12 2.405 1.714 3.561 1.00 5.52 C ATOM 192 CG2 VAL A 12 2.424 -0.678 4.334 1.00 43.34 C ATOM 0 H VAL A 12 0.633 -0.625 6.289 1.00 10.33 H new ATOM 0 HA VAL A 12 2.731 1.259 6.286 1.00 13.13 H new ATOM 0 HB VAL A 12 0.699 0.568 4.124 1.00 60.34 H new ATOM 0 HG11 VAL A 12 2.408 1.357 2.531 1.00 5.52 H new ATOM 0 HG12 VAL A 12 1.858 2.655 3.617 1.00 5.52 H new ATOM 0 HG13 VAL A 12 3.431 1.871 3.894 1.00 5.52 H new ATOM 0 HG21 VAL A 12 2.431 -0.989 3.289 1.00 43.34 H new ATOM 0 HG22 VAL A 12 3.449 -0.597 4.696 1.00 43.34 H new ATOM 0 HG23 VAL A 12 1.887 -1.417 4.929 1.00 43.34 H new ATOM 202 N LEU A 13 -0.343 2.476 6.006 1.00 3.24 N ATOM 203 CA LEU A 13 -1.165 3.691 6.126 1.00 32.53 C ATOM 204 C LEU A 13 -0.956 4.395 7.480 1.00 43.13 C ATOM 205 O LEU A 13 -1.127 5.610 7.589 1.00 33.34 O ATOM 206 CB LEU A 13 -2.650 3.347 5.944 1.00 10.14 C ATOM 207 CG LEU A 13 -3.033 2.773 4.568 1.00 31.43 C ATOM 208 CD1 LEU A 13 -4.519 2.426 4.521 1.00 52.42 C ATOM 209 CD2 LEU A 13 -2.675 3.752 3.454 1.00 51.53 C ATOM 0 H LEU A 13 -0.883 1.617 5.902 1.00 3.24 H new ATOM 0 HA LEU A 13 -0.849 4.377 5.340 1.00 32.53 H new ATOM 0 HB2 LEU A 13 -2.935 2.627 6.711 1.00 10.14 H new ATOM 0 HB3 LEU A 13 -3.238 4.248 6.119 1.00 10.14 H new ATOM 0 HG LEU A 13 -2.463 1.857 4.413 1.00 31.43 H new ATOM 0 HD11 LEU A 13 -4.767 2.022 3.540 1.00 52.42 H new ATOM 0 HD12 LEU A 13 -4.744 1.683 5.287 1.00 52.42 H new ATOM 0 HD13 LEU A 13 -5.108 3.325 4.703 1.00 52.42 H new ATOM 0 HD21 LEU A 13 -2.955 3.325 2.491 1.00 51.53 H new ATOM 0 HD22 LEU A 13 -3.212 4.688 3.606 1.00 51.53 H new ATOM 0 HD23 LEU A 13 -1.602 3.943 3.468 1.00 51.53 H new ATOM 221 N GLN A 14 -0.597 3.625 8.509 1.00 21.25 N ATOM 222 CA GLN A 14 -0.288 4.187 9.832 1.00 34.33 C ATOM 223 C GLN A 14 0.935 5.115 9.775 1.00 10.35 C ATOM 224 O GLN A 14 1.062 6.039 10.576 1.00 22.43 O ATOM 225 CB GLN A 14 -0.022 3.065 10.848 1.00 12.34 C ATOM 226 CG GLN A 14 -1.246 2.226 11.206 1.00 75.41 C ATOM 227 CD GLN A 14 -2.258 2.961 12.075 1.00 55.14 C ATOM 228 OE1 GLN A 14 -2.424 4.176 11.988 1.00 65.02 O ATOM 229 NE2 GLN A 14 -2.932 2.229 12.937 1.00 4.15 N ATOM 0 H GLN A 14 -0.512 2.610 8.455 1.00 21.25 H new ATOM 0 HA GLN A 14 -1.155 4.768 10.147 1.00 34.33 H new ATOM 0 HB2 GLN A 14 0.749 2.406 10.448 1.00 12.34 H new ATOM 0 HB3 GLN A 14 0.378 3.507 11.760 1.00 12.34 H new ATOM 0 HG2 GLN A 14 -1.736 1.903 10.287 1.00 75.41 H new ATOM 0 HG3 GLN A 14 -0.919 1.326 11.726 1.00 75.41 H new ATOM 0 HE21 GLN A 14 -2.773 1.223 12.986 1.00 4.15 H new ATOM 0 HE22 GLN A 14 -3.614 2.668 13.556 1.00 4.15 H new ATOM 238 N MET A 15 1.835 4.857 8.827 1.00 2.55 N ATOM 239 CA MET A 15 3.052 5.665 8.679 1.00 72.45 C ATOM 240 C MET A 15 2.798 6.874 7.772 1.00 15.22 C ATOM 241 O MET A 15 3.140 8.008 8.114 1.00 5.41 O ATOM 242 CB MET A 15 4.193 4.813 8.108 1.00 22.34 C ATOM 243 CG MET A 15 4.276 3.431 8.734 1.00 3.15 C ATOM 244 SD MET A 15 5.869 2.624 8.470 1.00 61.10 S ATOM 245 CE MET A 15 5.827 2.345 6.703 1.00 15.42 C ATOM 0 H MET A 15 1.748 4.098 8.151 1.00 2.55 H new ATOM 0 HA MET A 15 3.339 6.027 9.666 1.00 72.45 H new ATOM 0 HB2 MET A 15 4.058 4.710 7.031 1.00 22.34 H new ATOM 0 HB3 MET A 15 5.139 5.333 8.262 1.00 22.34 H new ATOM 0 HG2 MET A 15 4.091 3.513 9.805 1.00 3.15 H new ATOM 0 HG3 MET A 15 3.486 2.804 8.321 1.00 3.15 H new ATOM 0 HE1 MET A 15 5.957 1.282 6.499 1.00 15.42 H new ATOM 0 HE2 MET A 15 4.868 2.676 6.305 1.00 15.42 H new ATOM 0 HE3 MET A 15 6.631 2.906 6.227 1.00 15.42 H new ATOM 255 N ASP A 16 2.197 6.623 6.613 1.00 33.21 N ATOM 256 CA ASP A 16 1.876 7.701 5.674 1.00 53.05 C ATOM 257 C ASP A 16 0.596 7.388 4.875 1.00 2.32 C ATOM 258 O ASP A 16 0.531 6.396 4.145 1.00 1.24 O ATOM 259 CB ASP A 16 3.056 7.940 4.724 1.00 14.12 C ATOM 260 CG ASP A 16 3.015 9.324 4.101 1.00 62.13 C ATOM 261 OD1 ASP A 16 2.152 9.571 3.238 1.00 12.53 O ATOM 262 OD2 ASP A 16 3.838 10.179 4.485 1.00 42.11 O ATOM 0 H ASP A 16 1.923 5.692 6.300 1.00 33.21 H new ATOM 0 HA ASP A 16 1.693 8.608 6.250 1.00 53.05 H new ATOM 0 HB2 ASP A 16 3.991 7.816 5.270 1.00 14.12 H new ATOM 0 HB3 ASP A 16 3.045 7.187 3.936 1.00 14.12 H new ATOM 267 N ARG A 17 -0.411 8.250 5.009 1.00 41.15 N ATOM 268 CA ARG A 17 -1.694 8.076 4.315 1.00 63.03 C ATOM 269 C ARG A 17 -1.605 8.432 2.822 1.00 50.32 C ATOM 270 O ARG A 17 -2.545 8.186 2.062 1.00 35.21 O ATOM 271 CB ARG A 17 -2.779 8.917 5.002 1.00 54.53 C ATOM 272 CG ARG A 17 -3.173 8.386 6.377 1.00 71.03 C ATOM 273 CD ARG A 17 -3.767 6.984 6.283 1.00 33.42 C ATOM 274 NE ARG A 17 -4.047 6.405 7.593 1.00 54.13 N ATOM 275 CZ ARG A 17 -5.142 5.757 7.887 1.00 33.23 C ATOM 276 NH1 ARG A 17 -6.119 5.687 7.038 1.00 53.22 N ATOM 277 NH2 ARG A 17 -5.273 5.206 9.047 1.00 2.15 N ATOM 0 H ARG A 17 -0.366 9.083 5.596 1.00 41.15 H new ATOM 0 HA ARG A 17 -1.958 7.020 4.375 1.00 63.03 H new ATOM 0 HB2 ARG A 17 -2.424 9.942 5.104 1.00 54.53 H new ATOM 0 HB3 ARG A 17 -3.663 8.948 4.365 1.00 54.53 H new ATOM 0 HG2 ARG A 17 -2.298 8.369 7.027 1.00 71.03 H new ATOM 0 HG3 ARG A 17 -3.897 9.060 6.835 1.00 71.03 H new ATOM 0 HD2 ARG A 17 -4.688 7.022 5.702 1.00 33.42 H new ATOM 0 HD3 ARG A 17 -3.076 6.336 5.743 1.00 33.42 H new ATOM 0 HE ARG A 17 -3.344 6.513 8.324 1.00 54.13 H new ATOM 0 HH11 ARG A 17 -6.038 6.141 6.128 1.00 53.22 H new ATOM 0 HH12 ARG A 17 -6.969 5.178 7.280 1.00 53.22 H new ATOM 0 HH21 ARG A 17 -4.522 5.277 9.733 1.00 2.15 H new ATOM 0 HH22 ARG A 17 -6.128 4.700 9.277 1.00 2.15 H new ATOM 291 N GLY A 18 -0.473 8.997 2.407 1.00 72.24 N ATOM 292 CA GLY A 18 -0.248 9.293 0.995 1.00 21.33 C ATOM 293 C GLY A 18 -0.006 8.036 0.168 1.00 41.13 C ATOM 294 O GLY A 18 0.054 8.086 -1.061 1.00 14.15 O ATOM 0 H GLY A 18 0.297 9.257 3.023 1.00 72.24 H new ATOM 0 HA2 GLY A 18 -1.111 9.826 0.596 1.00 21.33 H new ATOM 0 HA3 GLY A 18 0.610 9.959 0.899 1.00 21.33 H new ATOM 298 N THR A 19 0.136 6.900 0.850 1.00 1.32 N ATOM 299 CA THR A 19 0.282 5.603 0.180 1.00 53.01 C ATOM 300 C THR A 19 -1.079 5.041 -0.259 1.00 11.43 C ATOM 301 O THR A 19 -1.149 4.165 -1.124 1.00 30.44 O ATOM 302 CB THR A 19 0.973 4.563 1.096 1.00 34.20 C ATOM 303 OG1 THR A 19 0.173 4.328 2.262 1.00 1.33 O ATOM 304 CG2 THR A 19 2.362 5.036 1.518 1.00 70.31 C ATOM 0 H THR A 19 0.153 6.849 1.869 1.00 1.32 H new ATOM 0 HA THR A 19 0.903 5.780 -0.698 1.00 53.01 H new ATOM 0 HB THR A 19 1.080 3.637 0.531 1.00 34.20 H new ATOM 0 HG1 THR A 19 0.323 5.046 2.912 1.00 1.33 H new ATOM 0 HG21 THR A 19 2.822 4.285 2.160 1.00 70.31 H new ATOM 0 HG22 THR A 19 2.980 5.185 0.633 1.00 70.31 H new ATOM 0 HG23 THR A 19 2.276 5.976 2.063 1.00 70.31 H new ATOM 312 N ALA A 20 -2.160 5.564 0.324 1.00 33.44 N ATOM 313 CA ALA A 20 -3.519 5.100 0.006 1.00 13.54 C ATOM 314 C ALA A 20 -3.830 5.196 -1.507 1.00 41.21 C ATOM 315 O ALA A 20 -4.253 4.207 -2.113 1.00 44.04 O ATOM 316 CB ALA A 20 -4.557 5.863 0.831 1.00 15.13 C ATOM 0 H ALA A 20 -2.124 6.309 1.019 1.00 33.44 H new ATOM 0 HA ALA A 20 -3.573 4.045 0.274 1.00 13.54 H new ATOM 0 HB1 ALA A 20 -5.556 5.505 0.581 1.00 15.13 H new ATOM 0 HB2 ALA A 20 -4.369 5.701 1.892 1.00 15.13 H new ATOM 0 HB3 ALA A 20 -4.487 6.928 0.609 1.00 15.13 H new ATOM 322 N PRO A 21 -3.621 6.374 -2.154 1.00 22.11 N ATOM 323 CA PRO A 21 -3.822 6.514 -3.608 1.00 73.45 C ATOM 324 C PRO A 21 -2.923 5.561 -4.417 1.00 10.20 C ATOM 325 O PRO A 21 -3.279 5.147 -5.521 1.00 43.51 O ATOM 326 CB PRO A 21 -3.463 7.985 -3.894 1.00 11.43 C ATOM 327 CG PRO A 21 -2.662 8.427 -2.719 1.00 74.14 C ATOM 328 CD PRO A 21 -3.198 7.652 -1.546 1.00 40.11 C ATOM 0 HA PRO A 21 -4.840 6.257 -3.902 1.00 73.45 H new ATOM 0 HB2 PRO A 21 -2.892 8.078 -4.818 1.00 11.43 H new ATOM 0 HB3 PRO A 21 -4.360 8.594 -4.011 1.00 11.43 H new ATOM 0 HG2 PRO A 21 -1.602 8.225 -2.870 1.00 74.14 H new ATOM 0 HG3 PRO A 21 -2.763 9.500 -2.558 1.00 74.14 H new ATOM 0 HD2 PRO A 21 -2.437 7.502 -0.780 1.00 40.11 H new ATOM 0 HD3 PRO A 21 -4.032 8.167 -1.070 1.00 40.11 H new ATOM 336 N ILE A 22 -1.765 5.209 -3.856 1.00 10.52 N ATOM 337 CA ILE A 22 -0.851 4.251 -4.489 1.00 70.14 C ATOM 338 C ILE A 22 -1.454 2.836 -4.490 1.00 23.41 C ATOM 339 O ILE A 22 -1.443 2.140 -5.509 1.00 52.41 O ATOM 340 CB ILE A 22 0.523 4.233 -3.775 1.00 71.14 C ATOM 341 CG1 ILE A 22 1.138 5.642 -3.777 1.00 43.54 C ATOM 342 CG2 ILE A 22 1.465 3.225 -4.435 1.00 54.23 C ATOM 343 CD1 ILE A 22 2.447 5.741 -3.025 1.00 24.11 C ATOM 0 H ILE A 22 -1.435 5.573 -2.962 1.00 10.52 H new ATOM 0 HA ILE A 22 -0.704 4.573 -5.520 1.00 70.14 H new ATOM 0 HB ILE A 22 0.374 3.922 -2.741 1.00 71.14 H new ATOM 0 HG12 ILE A 22 1.298 5.956 -4.808 1.00 43.54 H new ATOM 0 HG13 ILE A 22 0.425 6.340 -3.338 1.00 43.54 H new ATOM 0 HG21 ILE A 22 2.424 3.230 -3.917 1.00 54.23 H new ATOM 0 HG22 ILE A 22 1.028 2.228 -4.380 1.00 54.23 H new ATOM 0 HG23 ILE A 22 1.616 3.498 -5.480 1.00 54.23 H new ATOM 0 HD11 ILE A 22 2.817 6.765 -3.072 1.00 24.11 H new ATOM 0 HD12 ILE A 22 2.291 5.459 -1.984 1.00 24.11 H new ATOM 0 HD13 ILE A 22 3.178 5.070 -3.477 1.00 24.11 H new ATOM 355 N PHE A 23 -1.988 2.417 -3.342 1.00 11.13 N ATOM 356 CA PHE A 23 -2.731 1.156 -3.260 1.00 22.04 C ATOM 357 C PHE A 23 -3.899 1.152 -4.261 1.00 42.43 C ATOM 358 O PHE A 23 -4.074 0.204 -5.033 1.00 53.31 O ATOM 359 CB PHE A 23 -3.264 0.926 -1.833 1.00 73.34 C ATOM 360 CG PHE A 23 -2.209 0.533 -0.827 1.00 33.42 C ATOM 361 CD1 PHE A 23 -1.643 -0.735 -0.860 1.00 44.43 C ATOM 362 CD2 PHE A 23 -1.794 1.420 0.156 1.00 21.32 C ATOM 363 CE1 PHE A 23 -0.686 -1.106 0.065 1.00 15.12 C ATOM 364 CE2 PHE A 23 -0.838 1.051 1.084 1.00 72.21 C ATOM 365 CZ PHE A 23 -0.282 -0.213 1.037 1.00 1.53 C ATOM 0 H PHE A 23 -1.922 2.927 -2.461 1.00 11.13 H new ATOM 0 HA PHE A 23 -2.046 0.346 -3.511 1.00 22.04 H new ATOM 0 HB2 PHE A 23 -3.753 1.838 -1.490 1.00 73.34 H new ATOM 0 HB3 PHE A 23 -4.026 0.147 -1.864 1.00 73.34 H new ATOM 0 HD1 PHE A 23 -1.955 -1.439 -1.617 1.00 44.43 H new ATOM 0 HD2 PHE A 23 -2.223 2.410 0.197 1.00 21.32 H new ATOM 0 HE1 PHE A 23 -0.254 -2.095 0.028 1.00 15.12 H new ATOM 0 HE2 PHE A 23 -0.526 1.750 1.845 1.00 72.21 H new ATOM 0 HZ PHE A 23 0.467 -0.502 1.759 1.00 1.53 H new ATOM 375 N ILE A 24 -4.681 2.231 -4.251 1.00 2.32 N ATOM 376 CA ILE A 24 -5.822 2.379 -5.165 1.00 63.54 C ATOM 377 C ILE A 24 -5.372 2.373 -6.638 1.00 32.15 C ATOM 378 O ILE A 24 -6.055 1.822 -7.502 1.00 71.21 O ATOM 379 CB ILE A 24 -6.614 3.682 -4.864 1.00 54.34 C ATOM 380 CG1 ILE A 24 -7.131 3.670 -3.414 1.00 42.22 C ATOM 381 CG2 ILE A 24 -7.776 3.857 -5.843 1.00 61.12 C ATOM 382 CD1 ILE A 24 -7.861 4.938 -3.005 1.00 30.32 C ATOM 0 H ILE A 24 -4.547 3.020 -3.619 1.00 2.32 H new ATOM 0 HA ILE A 24 -6.475 1.522 -5.001 1.00 63.54 H new ATOM 0 HB ILE A 24 -5.937 4.527 -4.989 1.00 54.34 H new ATOM 0 HG12 ILE A 24 -7.801 2.820 -3.286 1.00 42.22 H new ATOM 0 HG13 ILE A 24 -6.288 3.516 -2.740 1.00 42.22 H new ATOM 0 HG21 ILE A 24 -8.313 4.776 -5.610 1.00 61.12 H new ATOM 0 HG22 ILE A 24 -7.389 3.911 -6.861 1.00 61.12 H new ATOM 0 HG23 ILE A 24 -8.455 3.009 -5.757 1.00 61.12 H new ATOM 0 HD11 ILE A 24 -8.193 4.849 -1.971 1.00 30.32 H new ATOM 0 HD12 ILE A 24 -7.189 5.791 -3.098 1.00 30.32 H new ATOM 0 HD13 ILE A 24 -8.726 5.085 -3.652 1.00 30.32 H new ATOM 394 N ASN A 25 -4.207 2.964 -6.911 1.00 11.44 N ATOM 395 CA ASN A 25 -3.642 2.997 -8.271 1.00 12.40 C ATOM 396 C ASN A 25 -3.462 1.575 -8.834 1.00 62.55 C ATOM 397 O ASN A 25 -3.605 1.344 -10.035 1.00 61.41 O ATOM 398 CB ASN A 25 -2.290 3.727 -8.260 1.00 34.53 C ATOM 399 CG ASN A 25 -1.657 3.831 -9.638 1.00 51.01 C ATOM 400 OD1 ASN A 25 -2.342 3.946 -10.650 1.00 13.21 O ATOM 401 ND2 ASN A 25 -0.344 3.774 -9.690 1.00 51.22 N ATOM 0 H ASN A 25 -3.631 3.429 -6.209 1.00 11.44 H new ATOM 0 HA ASN A 25 -4.340 3.533 -8.914 1.00 12.40 H new ATOM 0 HB2 ASN A 25 -2.428 4.729 -7.854 1.00 34.53 H new ATOM 0 HB3 ASN A 25 -1.607 3.203 -7.591 1.00 34.53 H new ATOM 0 HD21 ASN A 25 0.133 3.826 -10.590 1.00 51.22 H new ATOM 0 HD22 ASN A 25 0.197 3.678 -8.830 1.00 51.22 H new ATOM 408 N ASN A 26 -3.157 0.627 -7.950 1.00 55.05 N ATOM 409 CA ASN A 26 -2.945 -0.771 -8.347 1.00 24.12 C ATOM 410 C ASN A 26 -4.239 -1.604 -8.248 1.00 10.04 C ATOM 411 O ASN A 26 -4.262 -2.774 -8.631 1.00 62.41 O ATOM 412 CB ASN A 26 -1.834 -1.390 -7.488 1.00 41.32 C ATOM 413 CG ASN A 26 -0.464 -0.826 -7.829 1.00 74.43 C ATOM 414 OD1 ASN A 26 0.257 -1.380 -8.650 1.00 52.24 O ATOM 415 ND2 ASN A 26 -0.095 0.281 -7.209 1.00 34.31 N ATOM 0 H ASN A 26 -3.050 0.798 -6.950 1.00 55.05 H new ATOM 0 HA ASN A 26 -2.641 -0.781 -9.394 1.00 24.12 H new ATOM 0 HB2 ASN A 26 -2.048 -1.209 -6.435 1.00 41.32 H new ATOM 0 HB3 ASN A 26 -1.826 -2.471 -7.631 1.00 41.32 H new ATOM 0 HD21 ASN A 26 0.814 0.699 -7.409 1.00 34.31 H new ATOM 0 HD22 ASN A 26 -0.719 0.718 -6.530 1.00 34.31 H new ATOM 422 N GLY A 27 -5.316 -0.998 -7.747 1.00 34.45 N ATOM 423 CA GLY A 27 -6.605 -1.691 -7.687 1.00 71.52 C ATOM 424 C GLY A 27 -7.173 -1.858 -6.274 1.00 52.43 C ATOM 425 O GLY A 27 -8.345 -2.204 -6.120 1.00 55.50 O ATOM 0 H GLY A 27 -5.324 -0.045 -7.382 1.00 34.45 H new ATOM 0 HA2 GLY A 27 -7.327 -1.142 -8.292 1.00 71.52 H new ATOM 0 HA3 GLY A 27 -6.494 -2.677 -8.139 1.00 71.52 H new ATOM 429 N MET A 28 -6.354 -1.623 -5.248 1.00 40.05 N ATOM 430 CA MET A 28 -6.805 -1.752 -3.849 1.00 11.42 C ATOM 431 C MET A 28 -7.904 -0.731 -3.508 1.00 13.01 C ATOM 432 O MET A 28 -8.068 0.281 -4.190 1.00 1.31 O ATOM 433 CB MET A 28 -5.631 -1.558 -2.881 1.00 3.45 C ATOM 434 CG MET A 28 -4.563 -2.639 -2.954 1.00 50.15 C ATOM 435 SD MET A 28 -5.142 -4.225 -2.325 1.00 1.50 S ATOM 436 CE MET A 28 -3.619 -5.167 -2.339 1.00 51.42 C ATOM 0 H MET A 28 -5.379 -1.343 -5.351 1.00 40.05 H new ATOM 0 HA MET A 28 -7.213 -2.757 -3.740 1.00 11.42 H new ATOM 0 HB2 MET A 28 -5.166 -0.593 -3.083 1.00 3.45 H new ATOM 0 HB3 MET A 28 -6.019 -1.518 -1.863 1.00 3.45 H new ATOM 0 HG2 MET A 28 -4.241 -2.758 -3.989 1.00 50.15 H new ATOM 0 HG3 MET A 28 -3.690 -2.322 -2.383 1.00 50.15 H new ATOM 0 HE1 MET A 28 -3.809 -6.161 -2.745 1.00 51.42 H new ATOM 0 HE2 MET A 28 -2.881 -4.657 -2.959 1.00 51.42 H new ATOM 0 HE3 MET A 28 -3.238 -5.258 -1.322 1.00 51.42 H new ATOM 446 N HIS A 29 -8.651 -0.998 -2.440 1.00 62.40 N ATOM 447 CA HIS A 29 -9.702 -0.081 -1.987 1.00 34.03 C ATOM 448 C HIS A 29 -9.616 0.163 -0.471 1.00 33.04 C ATOM 449 O HIS A 29 -9.926 -0.716 0.330 1.00 44.14 O ATOM 450 CB HIS A 29 -11.084 -0.629 -2.368 1.00 2.13 C ATOM 451 CG HIS A 29 -11.254 -0.827 -3.845 1.00 64.33 C ATOM 452 ND1 HIS A 29 -11.270 0.219 -4.743 1.00 34.13 N ATOM 453 CD2 HIS A 29 -11.392 -1.954 -4.586 1.00 60.22 C ATOM 454 CE1 HIS A 29 -11.414 -0.250 -5.964 1.00 75.22 C ATOM 455 NE2 HIS A 29 -11.490 -1.563 -5.898 1.00 74.04 N ATOM 0 H HIS A 29 -8.551 -1.839 -1.871 1.00 62.40 H new ATOM 0 HA HIS A 29 -9.553 0.877 -2.485 1.00 34.03 H new ATOM 0 HB2 HIS A 29 -11.243 -1.580 -1.860 1.00 2.13 H new ATOM 0 HB3 HIS A 29 -11.851 0.057 -2.009 1.00 2.13 H new ATOM 0 HD2 HIS A 29 -11.420 -2.968 -4.214 1.00 60.22 H new ATOM 0 HE1 HIS A 29 -11.462 0.341 -6.867 1.00 75.22 H new ATOM 0 HE2 HIS A 29 -11.604 -2.190 -6.695 1.00 74.04 H new ATOM 464 N CYS A 30 -9.187 1.368 -0.087 1.00 23.31 N ATOM 465 CA CYS A 30 -9.032 1.724 1.334 1.00 64.04 C ATOM 466 C CYS A 30 -10.390 1.860 2.037 1.00 0.13 C ATOM 467 O CYS A 30 -10.510 1.607 3.238 1.00 24.25 O ATOM 468 CB CYS A 30 -8.249 3.034 1.480 1.00 12.43 C ATOM 469 SG CYS A 30 -8.037 3.588 3.190 1.00 42.54 S ATOM 0 H CYS A 30 -8.940 2.115 -0.736 1.00 23.31 H new ATOM 0 HA CYS A 30 -8.479 0.914 1.809 1.00 64.04 H new ATOM 0 HB2 CYS A 30 -7.266 2.909 1.026 1.00 12.43 H new ATOM 0 HB3 CYS A 30 -8.762 3.815 0.918 1.00 12.43 H new ATOM 0 HG CYS A 30 -8.940 3.032 3.942 1.00 42.54 H new ATOM 475 N LEU A 31 -11.405 2.273 1.284 1.00 74.13 N ATOM 476 CA LEU A 31 -12.765 2.419 1.815 1.00 4.21 C ATOM 477 C LEU A 31 -13.696 1.366 1.190 1.00 13.24 C ATOM 478 O LEU A 31 -14.052 1.462 0.014 1.00 12.13 O ATOM 479 CB LEU A 31 -13.286 3.844 1.533 1.00 15.14 C ATOM 480 CG LEU A 31 -14.444 4.348 2.426 1.00 10.33 C ATOM 481 CD1 LEU A 31 -15.735 3.565 2.188 1.00 74.03 C ATOM 482 CD2 LEU A 31 -14.042 4.298 3.902 1.00 40.30 C ATOM 0 H LEU A 31 -11.315 2.515 0.297 1.00 74.13 H new ATOM 0 HA LEU A 31 -12.747 2.261 2.893 1.00 4.21 H new ATOM 0 HB2 LEU A 31 -12.451 4.538 1.634 1.00 15.14 H new ATOM 0 HB3 LEU A 31 -13.613 3.888 0.494 1.00 15.14 H new ATOM 0 HG LEU A 31 -14.642 5.384 2.151 1.00 10.33 H new ATOM 0 HD11 LEU A 31 -16.521 3.953 2.836 1.00 74.03 H new ATOM 0 HD12 LEU A 31 -16.038 3.671 1.146 1.00 74.03 H new ATOM 0 HD13 LEU A 31 -15.568 2.511 2.411 1.00 74.03 H new ATOM 0 HD21 LEU A 31 -14.868 4.656 4.516 1.00 40.30 H new ATOM 0 HD22 LEU A 31 -13.802 3.272 4.179 1.00 40.30 H new ATOM 0 HD23 LEU A 31 -13.169 4.931 4.063 1.00 40.30 H new ATOM 494 N GLY A 32 -14.075 0.362 1.980 1.00 44.13 N ATOM 495 CA GLY A 32 -14.959 -0.694 1.492 1.00 25.35 C ATOM 496 C GLY A 32 -15.021 -1.894 2.432 1.00 3.21 C ATOM 497 O GLY A 32 -15.736 -1.870 3.435 1.00 74.00 O ATOM 0 H GLY A 32 -13.786 0.258 2.953 1.00 44.13 H new ATOM 0 HA2 GLY A 32 -15.962 -0.289 1.360 1.00 25.35 H new ATOM 0 HA3 GLY A 32 -14.617 -1.024 0.511 1.00 25.35 H new ATOM 501 N CYS A 33 -14.276 -2.950 2.108 1.00 32.15 N ATOM 502 CA CYS A 33 -14.214 -4.144 2.960 1.00 71.21 C ATOM 503 C CYS A 33 -13.277 -3.917 4.158 1.00 63.24 C ATOM 504 O CYS A 33 -12.072 -3.738 3.984 1.00 45.14 O ATOM 505 CB CYS A 33 -13.745 -5.361 2.151 1.00 42.12 C ATOM 506 SG CYS A 33 -14.826 -5.787 0.763 1.00 41.04 S ATOM 0 H CYS A 33 -13.707 -3.006 1.264 1.00 32.15 H new ATOM 0 HA CYS A 33 -15.218 -4.337 3.338 1.00 71.21 H new ATOM 0 HB2 CYS A 33 -12.742 -5.166 1.770 1.00 42.12 H new ATOM 0 HB3 CYS A 33 -13.672 -6.220 2.817 1.00 42.12 H new ATOM 0 HG CYS A 33 -14.346 -6.823 0.142 1.00 41.04 H new ATOM 512 N PRO A 34 -13.816 -3.934 5.397 1.00 10.12 N ATOM 513 CA PRO A 34 -13.027 -3.667 6.615 1.00 73.00 C ATOM 514 C PRO A 34 -11.775 -4.553 6.734 1.00 32.32 C ATOM 515 O PRO A 34 -10.697 -4.078 7.097 1.00 4.31 O ATOM 516 CB PRO A 34 -14.014 -3.957 7.766 1.00 72.01 C ATOM 517 CG PRO A 34 -15.154 -4.692 7.138 1.00 15.54 C ATOM 518 CD PRO A 34 -15.227 -4.206 5.717 1.00 32.42 C ATOM 0 HA PRO A 34 -12.639 -2.649 6.618 1.00 73.00 H new ATOM 0 HB2 PRO A 34 -13.543 -4.556 8.546 1.00 72.01 H new ATOM 0 HB3 PRO A 34 -14.353 -3.033 8.235 1.00 72.01 H new ATOM 0 HG2 PRO A 34 -14.991 -5.769 7.174 1.00 15.54 H new ATOM 0 HG3 PRO A 34 -16.086 -4.493 7.667 1.00 15.54 H new ATOM 0 HD2 PRO A 34 -15.656 -4.957 5.053 1.00 32.42 H new ATOM 0 HD3 PRO A 34 -15.843 -3.311 5.626 1.00 32.42 H new ATOM 526 N SER A 35 -11.917 -5.839 6.406 1.00 14.02 N ATOM 527 CA SER A 35 -10.808 -6.799 6.530 1.00 50.21 C ATOM 528 C SER A 35 -9.611 -6.408 5.646 1.00 33.42 C ATOM 529 O SER A 35 -8.464 -6.703 5.987 1.00 52.14 O ATOM 530 CB SER A 35 -11.274 -8.225 6.186 1.00 0.51 C ATOM 531 OG SER A 35 -10.261 -9.188 6.464 1.00 62.22 O ATOM 0 H SER A 35 -12.785 -6.243 6.053 1.00 14.02 H new ATOM 0 HA SER A 35 -10.480 -6.775 7.569 1.00 50.21 H new ATOM 0 HB2 SER A 35 -12.171 -8.464 6.758 1.00 0.51 H new ATOM 0 HB3 SER A 35 -11.546 -8.275 5.132 1.00 0.51 H new ATOM 0 HG SER A 35 -10.589 -10.083 6.236 1.00 62.22 H new ATOM 537 N SER A 36 -9.878 -5.715 4.531 1.00 13.23 N ATOM 538 CA SER A 36 -8.817 -5.291 3.592 1.00 40.11 C ATOM 539 C SER A 36 -7.711 -4.499 4.304 1.00 53.33 C ATOM 540 O SER A 36 -6.547 -4.547 3.911 1.00 51.44 O ATOM 541 CB SER A 36 -9.400 -4.440 2.448 1.00 21.23 C ATOM 542 OG SER A 36 -10.351 -5.167 1.675 1.00 54.44 O ATOM 0 H SER A 36 -10.818 -5.433 4.252 1.00 13.23 H new ATOM 0 HA SER A 36 -8.380 -6.200 3.178 1.00 40.11 H new ATOM 0 HB2 SER A 36 -9.874 -3.550 2.863 1.00 21.23 H new ATOM 0 HB3 SER A 36 -8.592 -4.099 1.801 1.00 21.23 H new ATOM 0 HG SER A 36 -10.699 -4.593 0.961 1.00 54.44 H new ATOM 548 N MET A 37 -8.081 -3.783 5.362 1.00 4.23 N ATOM 549 CA MET A 37 -7.119 -3.002 6.145 1.00 54.14 C ATOM 550 C MET A 37 -6.118 -3.914 6.875 1.00 33.30 C ATOM 551 O MET A 37 -4.937 -3.586 6.994 1.00 1.23 O ATOM 552 CB MET A 37 -7.862 -2.118 7.159 1.00 50.13 C ATOM 553 CG MET A 37 -8.843 -1.120 6.544 1.00 60.42 C ATOM 554 SD MET A 37 -8.064 0.410 5.958 1.00 41.25 S ATOM 555 CE MET A 37 -7.223 -0.122 4.465 1.00 4.32 C ATOM 0 H MET A 37 -9.042 -3.725 5.700 1.00 4.23 H new ATOM 0 HA MET A 37 -6.558 -2.370 5.456 1.00 54.14 H new ATOM 0 HB2 MET A 37 -8.406 -2.762 7.850 1.00 50.13 H new ATOM 0 HB3 MET A 37 -7.127 -1.568 7.747 1.00 50.13 H new ATOM 0 HG2 MET A 37 -9.357 -1.597 5.709 1.00 60.42 H new ATOM 0 HG3 MET A 37 -9.603 -0.869 7.284 1.00 60.42 H new ATOM 0 HE1 MET A 37 -7.253 0.678 3.726 1.00 4.32 H new ATOM 0 HE2 MET A 37 -6.186 -0.363 4.698 1.00 4.32 H new ATOM 0 HE3 MET A 37 -7.719 -1.006 4.063 1.00 4.32 H new ATOM 565 N GLY A 38 -6.596 -5.065 7.349 1.00 2.45 N ATOM 566 CA GLY A 38 -5.757 -5.970 8.136 1.00 62.45 C ATOM 567 C GLY A 38 -5.072 -7.066 7.317 1.00 14.32 C ATOM 568 O GLY A 38 -4.435 -7.959 7.880 1.00 22.13 O ATOM 0 H GLY A 38 -7.551 -5.391 7.204 1.00 2.45 H new ATOM 0 HA2 GLY A 38 -4.993 -5.385 8.649 1.00 62.45 H new ATOM 0 HA3 GLY A 38 -6.370 -6.438 8.906 1.00 62.45 H new ATOM 572 N GLU A 39 -5.204 -7.016 5.995 1.00 42.41 N ATOM 573 CA GLU A 39 -4.566 -8.009 5.119 1.00 1.31 C ATOM 574 C GLU A 39 -3.156 -7.571 4.686 1.00 60.41 C ATOM 575 O GLU A 39 -2.882 -6.378 4.520 1.00 53.04 O ATOM 576 CB GLU A 39 -5.427 -8.256 3.871 1.00 53.40 C ATOM 577 CG GLU A 39 -6.845 -8.717 4.180 1.00 1.32 C ATOM 578 CD GLU A 39 -7.630 -9.114 2.937 1.00 63.32 C ATOM 579 OE1 GLU A 39 -8.178 -8.222 2.258 1.00 32.42 O ATOM 580 OE2 GLU A 39 -7.720 -10.325 2.646 1.00 10.52 O ATOM 0 H GLU A 39 -5.743 -6.304 5.503 1.00 42.41 H new ATOM 0 HA GLU A 39 -4.476 -8.931 5.693 1.00 1.31 H new ATOM 0 HB2 GLU A 39 -5.474 -7.337 3.286 1.00 53.40 H new ATOM 0 HB3 GLU A 39 -4.939 -9.006 3.248 1.00 53.40 H new ATOM 0 HG2 GLU A 39 -6.804 -9.566 4.862 1.00 1.32 H new ATOM 0 HG3 GLU A 39 -7.376 -7.918 4.697 1.00 1.32 H new ATOM 587 N SER A 40 -2.260 -8.548 4.517 1.00 34.33 N ATOM 588 CA SER A 40 -0.926 -8.289 3.953 1.00 24.25 C ATOM 589 C SER A 40 -1.044 -7.863 2.486 1.00 33.32 C ATOM 590 O SER A 40 -1.932 -8.328 1.776 1.00 72.13 O ATOM 591 CB SER A 40 -0.036 -9.540 4.045 1.00 44.43 C ATOM 592 OG SER A 40 0.165 -9.948 5.392 1.00 25.04 O ATOM 0 H SER A 40 -2.431 -9.524 4.761 1.00 34.33 H new ATOM 0 HA SER A 40 -0.469 -7.487 4.533 1.00 24.25 H new ATOM 0 HB2 SER A 40 -0.494 -10.354 3.483 1.00 44.43 H new ATOM 0 HB3 SER A 40 0.928 -9.335 3.580 1.00 44.43 H new ATOM 0 HG SER A 40 1.036 -9.626 5.705 1.00 25.04 H new ATOM 598 N ILE A 41 -0.140 -6.999 2.028 1.00 35.55 N ATOM 599 CA ILE A 41 -0.187 -6.477 0.659 1.00 41.35 C ATOM 600 C ILE A 41 -0.323 -7.592 -0.397 1.00 24.43 C ATOM 601 O ILE A 41 -1.266 -7.594 -1.185 1.00 41.40 O ATOM 602 CB ILE A 41 1.074 -5.632 0.374 1.00 22.25 C ATOM 603 CG1 ILE A 41 1.155 -4.466 1.377 1.00 2.44 C ATOM 604 CG2 ILE A 41 1.077 -5.114 -1.066 1.00 61.02 C ATOM 605 CD1 ILE A 41 2.566 -4.020 1.674 1.00 73.51 C ATOM 0 H ILE A 41 0.637 -6.643 2.585 1.00 35.55 H new ATOM 0 HA ILE A 41 -1.078 -5.853 0.584 1.00 41.35 H new ATOM 0 HB ILE A 41 1.953 -6.265 0.495 1.00 22.25 H new ATOM 0 HG12 ILE A 41 0.591 -3.620 0.984 1.00 2.44 H new ATOM 0 HG13 ILE A 41 0.674 -4.765 2.308 1.00 2.44 H new ATOM 0 HG21 ILE A 41 1.976 -4.523 -1.238 1.00 61.02 H new ATOM 0 HG22 ILE A 41 1.060 -5.958 -1.756 1.00 61.02 H new ATOM 0 HG23 ILE A 41 0.197 -4.492 -1.231 1.00 61.02 H new ATOM 0 HD11 ILE A 41 2.545 -3.196 2.387 1.00 73.51 H new ATOM 0 HD12 ILE A 41 3.129 -4.852 2.097 1.00 73.51 H new ATOM 0 HD13 ILE A 41 3.045 -3.689 0.752 1.00 73.51 H new ATOM 617 N GLU A 42 0.612 -8.543 -0.404 1.00 53.13 N ATOM 618 CA GLU A 42 0.583 -9.648 -1.377 1.00 21.34 C ATOM 619 C GLU A 42 -0.669 -10.526 -1.207 1.00 4.42 C ATOM 620 O GLU A 42 -1.237 -11.014 -2.187 1.00 22.21 O ATOM 621 CB GLU A 42 1.844 -10.515 -1.252 1.00 3.12 C ATOM 622 CG GLU A 42 1.982 -11.241 0.088 1.00 54.34 C ATOM 623 CD GLU A 42 3.221 -12.123 0.157 1.00 62.44 C ATOM 624 OE1 GLU A 42 3.270 -13.139 -0.563 1.00 2.52 O ATOM 625 OE2 GLU A 42 4.156 -11.797 0.917 1.00 42.14 O ATOM 0 H GLU A 42 1.397 -8.575 0.247 1.00 53.13 H new ATOM 0 HA GLU A 42 0.551 -9.200 -2.370 1.00 21.34 H new ATOM 0 HB2 GLU A 42 1.843 -11.254 -2.053 1.00 3.12 H new ATOM 0 HB3 GLU A 42 2.720 -9.884 -1.401 1.00 3.12 H new ATOM 0 HG2 GLU A 42 2.020 -10.506 0.892 1.00 54.34 H new ATOM 0 HG3 GLU A 42 1.096 -11.853 0.257 1.00 54.34 H new ATOM 632 N ASP A 43 -1.091 -10.707 0.042 1.00 23.45 N ATOM 633 CA ASP A 43 -2.261 -11.530 0.360 1.00 45.13 C ATOM 634 C ASP A 43 -3.545 -10.900 -0.215 1.00 34.55 C ATOM 635 O ASP A 43 -4.301 -11.550 -0.938 1.00 4.13 O ATOM 636 CB ASP A 43 -2.357 -11.696 1.886 1.00 51.01 C ATOM 637 CG ASP A 43 -3.387 -12.728 2.313 1.00 31.55 C ATOM 638 OD1 ASP A 43 -3.415 -13.824 1.719 1.00 11.44 O ATOM 639 OD2 ASP A 43 -4.148 -12.461 3.266 1.00 5.51 O ATOM 0 H ASP A 43 -0.639 -10.293 0.857 1.00 23.45 H new ATOM 0 HA ASP A 43 -2.151 -12.513 -0.098 1.00 45.13 H new ATOM 0 HB2 ASP A 43 -1.381 -11.984 2.276 1.00 51.01 H new ATOM 0 HB3 ASP A 43 -2.608 -10.735 2.334 1.00 51.01 H new ATOM 644 N ALA A 44 -3.760 -9.622 0.091 1.00 14.11 N ATOM 645 CA ALA A 44 -4.895 -8.865 -0.448 1.00 41.42 C ATOM 646 C ALA A 44 -4.817 -8.747 -1.980 1.00 73.21 C ATOM 647 O ALA A 44 -5.841 -8.763 -2.670 1.00 11.30 O ATOM 648 CB ALA A 44 -4.947 -7.479 0.190 1.00 24.22 C ATOM 0 H ALA A 44 -3.159 -9.083 0.714 1.00 14.11 H new ATOM 0 HA ALA A 44 -5.809 -9.407 -0.205 1.00 41.42 H new ATOM 0 HB1 ALA A 44 -5.792 -6.923 -0.216 1.00 24.22 H new ATOM 0 HB2 ALA A 44 -5.063 -7.579 1.269 1.00 24.22 H new ATOM 0 HB3 ALA A 44 -4.023 -6.943 -0.028 1.00 24.22 H new ATOM 654 N CYS A 45 -3.594 -8.627 -2.507 1.00 32.34 N ATOM 655 CA CYS A 45 -3.376 -8.587 -3.959 1.00 51.43 C ATOM 656 C CYS A 45 -3.922 -9.848 -4.635 1.00 64.42 C ATOM 657 O CYS A 45 -4.743 -9.763 -5.544 1.00 13.04 O ATOM 658 CB CYS A 45 -1.884 -8.430 -4.294 1.00 42.13 C ATOM 659 SG CYS A 45 -1.173 -6.837 -3.818 1.00 73.43 S ATOM 0 H CYS A 45 -2.741 -8.556 -1.952 1.00 32.34 H new ATOM 0 HA CYS A 45 -3.915 -7.720 -4.340 1.00 51.43 H new ATOM 0 HB2 CYS A 45 -1.327 -9.225 -3.798 1.00 42.13 H new ATOM 0 HB3 CYS A 45 -1.749 -8.568 -5.367 1.00 42.13 H new ATOM 0 HG CYS A 45 -1.162 -6.737 -2.522 1.00 73.43 H new ATOM 665 N ALA A 46 -3.477 -11.015 -4.175 1.00 15.33 N ATOM 666 CA ALA A 46 -3.928 -12.297 -4.734 1.00 11.44 C ATOM 667 C ALA A 46 -5.462 -12.417 -4.726 1.00 73.41 C ATOM 668 O ALA A 46 -6.058 -12.957 -5.659 1.00 14.14 O ATOM 669 CB ALA A 46 -3.297 -13.456 -3.966 1.00 21.55 C ATOM 0 H ALA A 46 -2.803 -11.104 -3.415 1.00 15.33 H new ATOM 0 HA ALA A 46 -3.604 -12.338 -5.774 1.00 11.44 H new ATOM 0 HB1 ALA A 46 -3.638 -14.401 -4.389 1.00 21.55 H new ATOM 0 HB2 ALA A 46 -2.211 -13.395 -4.043 1.00 21.55 H new ATOM 0 HB3 ALA A 46 -3.590 -13.400 -2.918 1.00 21.55 H new ATOM 675 N VAL A 47 -6.092 -11.896 -3.672 1.00 42.14 N ATOM 676 CA VAL A 47 -7.559 -11.889 -3.570 1.00 65.33 C ATOM 677 C VAL A 47 -8.210 -11.118 -4.732 1.00 73.52 C ATOM 678 O VAL A 47 -9.096 -11.633 -5.412 1.00 5.24 O ATOM 679 CB VAL A 47 -8.033 -11.269 -2.227 1.00 22.25 C ATOM 680 CG1 VAL A 47 -9.561 -11.238 -2.139 1.00 2.22 C ATOM 681 CG2 VAL A 47 -7.441 -12.030 -1.044 1.00 71.23 C ATOM 0 H VAL A 47 -5.614 -11.473 -2.876 1.00 42.14 H new ATOM 0 HA VAL A 47 -7.873 -12.932 -3.617 1.00 65.33 H new ATOM 0 HB VAL A 47 -7.675 -10.240 -2.190 1.00 22.25 H new ATOM 0 HG11 VAL A 47 -9.862 -10.799 -1.188 1.00 2.22 H new ATOM 0 HG12 VAL A 47 -9.961 -10.639 -2.958 1.00 2.22 H new ATOM 0 HG13 VAL A 47 -9.950 -12.254 -2.209 1.00 2.22 H new ATOM 0 HG21 VAL A 47 -7.785 -11.580 -0.113 1.00 71.23 H new ATOM 0 HG22 VAL A 47 -7.761 -13.071 -1.084 1.00 71.23 H new ATOM 0 HG23 VAL A 47 -6.353 -11.983 -1.089 1.00 71.23 H new ATOM 691 N HIS A 48 -7.765 -9.881 -4.957 1.00 11.00 N ATOM 692 CA HIS A 48 -8.345 -9.027 -6.006 1.00 63.54 C ATOM 693 C HIS A 48 -7.593 -9.163 -7.348 1.00 33.34 C ATOM 694 O HIS A 48 -7.958 -8.533 -8.339 1.00 35.31 O ATOM 695 CB HIS A 48 -8.348 -7.562 -5.543 1.00 52.22 C ATOM 696 CG HIS A 48 -9.033 -6.614 -6.488 1.00 2.02 C ATOM 697 ND1 HIS A 48 -8.708 -5.357 -6.882 1.00 70.43 N flip ATOM 698 CD2 HIS A 48 -10.191 -6.930 -7.163 1.00 32.32 C flip ATOM 699 CE1 HIS A 48 -9.667 -4.948 -7.776 1.00 24.40 C flip ATOM 700 NE2 HIS A 48 -10.547 -5.917 -7.925 1.00 13.54 N flip ATOM 0 H HIS A 48 -7.007 -9.445 -4.431 1.00 11.00 H new ATOM 0 HA HIS A 48 -9.369 -9.359 -6.175 1.00 63.54 H new ATOM 0 HB2 HIS A 48 -8.836 -7.502 -4.570 1.00 52.22 H new ATOM 0 HB3 HIS A 48 -7.317 -7.236 -5.403 1.00 52.22 H new ATOM 0 HD2 HIS A 48 -10.725 -7.865 -7.080 1.00 32.32 H new ATOM 0 HE1 HIS A 48 -9.695 -3.990 -8.274 1.00 24.40 H new ATOM 0 HE2 HIS A 48 -11.368 -5.887 -8.530 1.00 13.54 H new ATOM 709 N GLY A 49 -6.550 -9.994 -7.370 1.00 40.34 N ATOM 710 CA GLY A 49 -5.761 -10.197 -8.586 1.00 62.15 C ATOM 711 C GLY A 49 -4.892 -8.994 -8.950 1.00 64.43 C ATOM 712 O GLY A 49 -4.860 -8.562 -10.104 1.00 62.15 O ATOM 0 H GLY A 49 -6.233 -10.534 -6.565 1.00 40.34 H new ATOM 0 HA2 GLY A 49 -5.123 -11.071 -8.455 1.00 62.15 H new ATOM 0 HA3 GLY A 49 -6.434 -10.415 -9.415 1.00 62.15 H new ATOM 716 N ILE A 50 -4.193 -8.449 -7.959 1.00 71.24 N ATOM 717 CA ILE A 50 -3.305 -7.296 -8.155 1.00 51.31 C ATOM 718 C ILE A 50 -1.832 -7.731 -8.217 1.00 75.34 C ATOM 719 O ILE A 50 -1.445 -8.733 -7.613 1.00 51.24 O ATOM 720 CB ILE A 50 -3.477 -6.278 -7.000 1.00 61.21 C ATOM 721 CG1 ILE A 50 -4.964 -5.933 -6.813 1.00 41.34 C ATOM 722 CG2 ILE A 50 -2.647 -5.018 -7.251 1.00 74.44 C ATOM 723 CD1 ILE A 50 -5.230 -4.905 -5.736 1.00 3.44 C ATOM 0 H ILE A 50 -4.222 -8.789 -6.998 1.00 71.24 H new ATOM 0 HA ILE A 50 -3.579 -6.832 -9.102 1.00 51.31 H new ATOM 0 HB ILE A 50 -3.111 -6.734 -6.080 1.00 61.21 H new ATOM 0 HG12 ILE A 50 -5.362 -5.564 -7.758 1.00 41.34 H new ATOM 0 HG13 ILE A 50 -5.510 -6.845 -6.572 1.00 41.34 H new ATOM 0 HG21 ILE A 50 -2.786 -4.320 -6.425 1.00 74.44 H new ATOM 0 HG22 ILE A 50 -1.593 -5.286 -7.326 1.00 74.44 H new ATOM 0 HG23 ILE A 50 -2.970 -4.549 -8.181 1.00 74.44 H new ATOM 0 HD11 ILE A 50 -6.302 -4.718 -5.668 1.00 3.44 H new ATOM 0 HD12 ILE A 50 -4.865 -5.278 -4.779 1.00 3.44 H new ATOM 0 HD13 ILE A 50 -4.715 -3.977 -5.984 1.00 3.44 H new ATOM 735 N ASP A 51 -1.013 -6.975 -8.943 1.00 41.40 N ATOM 736 CA ASP A 51 0.424 -7.257 -9.019 1.00 22.32 C ATOM 737 C ASP A 51 1.167 -6.611 -7.837 1.00 31.24 C ATOM 738 O ASP A 51 1.472 -5.414 -7.854 1.00 52.31 O ATOM 739 CB ASP A 51 1.004 -6.756 -10.347 1.00 71.21 C ATOM 740 CG ASP A 51 2.417 -7.252 -10.581 1.00 33.52 C ATOM 741 OD1 ASP A 51 2.583 -8.415 -10.996 1.00 12.13 O ATOM 742 OD2 ASP A 51 3.367 -6.469 -10.377 1.00 25.42 O ATOM 0 H ASP A 51 -1.314 -6.166 -9.486 1.00 41.40 H new ATOM 0 HA ASP A 51 0.561 -8.337 -8.966 1.00 22.32 H new ATOM 0 HB2 ASP A 51 0.365 -7.085 -11.167 1.00 71.21 H new ATOM 0 HB3 ASP A 51 0.998 -5.666 -10.355 1.00 71.21 H new ATOM 747 N ALA A 52 1.447 -7.406 -6.808 1.00 53.43 N ATOM 748 CA ALA A 52 2.123 -6.907 -5.608 1.00 44.53 C ATOM 749 C ALA A 52 3.573 -6.501 -5.899 1.00 73.22 C ATOM 750 O ALA A 52 4.128 -5.634 -5.222 1.00 24.22 O ATOM 751 CB ALA A 52 2.073 -7.954 -4.500 1.00 41.34 C ATOM 0 H ALA A 52 1.217 -8.399 -6.778 1.00 53.43 H new ATOM 0 HA ALA A 52 1.594 -6.013 -5.277 1.00 44.53 H new ATOM 0 HB1 ALA A 52 2.579 -7.571 -3.614 1.00 41.34 H new ATOM 0 HB2 ALA A 52 1.034 -8.177 -4.257 1.00 41.34 H new ATOM 0 HB3 ALA A 52 2.570 -8.864 -4.836 1.00 41.34 H new ATOM 757 N ASP A 53 4.176 -7.127 -6.907 1.00 62.33 N ATOM 758 CA ASP A 53 5.543 -6.805 -7.313 1.00 30.21 C ATOM 759 C ASP A 53 5.701 -5.300 -7.586 1.00 40.25 C ATOM 760 O ASP A 53 6.592 -4.651 -7.034 1.00 34.31 O ATOM 761 CB ASP A 53 5.926 -7.616 -8.557 1.00 13.44 C ATOM 762 CG ASP A 53 7.349 -7.346 -9.016 1.00 51.24 C ATOM 763 OD1 ASP A 53 8.282 -7.958 -8.461 1.00 23.24 O ATOM 764 OD2 ASP A 53 7.543 -6.512 -9.929 1.00 53.15 O ATOM 0 H ASP A 53 3.738 -7.863 -7.460 1.00 62.33 H new ATOM 0 HA ASP A 53 6.213 -7.069 -6.495 1.00 30.21 H new ATOM 0 HB2 ASP A 53 5.813 -8.679 -8.342 1.00 13.44 H new ATOM 0 HB3 ASP A 53 5.236 -7.379 -9.367 1.00 13.44 H new ATOM 769 N LYS A 54 4.822 -4.748 -8.418 1.00 24.24 N ATOM 770 CA LYS A 54 4.868 -3.321 -8.748 1.00 4.22 C ATOM 771 C LYS A 54 4.302 -2.448 -7.615 1.00 24.45 C ATOM 772 O LYS A 54 4.853 -1.392 -7.307 1.00 62.31 O ATOM 773 CB LYS A 54 4.119 -3.048 -10.059 1.00 24.40 C ATOM 774 CG LYS A 54 4.804 -3.655 -11.277 1.00 31.04 C ATOM 775 CD LYS A 54 4.150 -3.227 -12.583 1.00 2.31 C ATOM 776 CE LYS A 54 2.830 -3.935 -12.791 1.00 13.03 C ATOM 777 NZ LYS A 54 3.019 -5.399 -12.956 1.00 0.15 N ATOM 0 H LYS A 54 4.070 -5.263 -8.876 1.00 24.24 H new ATOM 0 HA LYS A 54 5.916 -3.051 -8.875 1.00 4.22 H new ATOM 0 HB2 LYS A 54 3.107 -3.447 -9.982 1.00 24.40 H new ATOM 0 HB3 LYS A 54 4.027 -1.971 -10.200 1.00 24.40 H new ATOM 0 HG2 LYS A 54 5.853 -3.360 -11.285 1.00 31.04 H new ATOM 0 HG3 LYS A 54 4.779 -4.742 -11.200 1.00 31.04 H new ATOM 0 HD2 LYS A 54 3.990 -2.149 -12.577 1.00 2.31 H new ATOM 0 HD3 LYS A 54 4.818 -3.445 -13.416 1.00 2.31 H new ATOM 0 HE2 LYS A 54 2.176 -3.745 -11.940 1.00 13.03 H new ATOM 0 HE3 LYS A 54 2.333 -3.529 -13.672 1.00 13.03 H new ATOM 0 HZ1 LYS A 54 2.109 -5.841 -13.197 1.00 0.15 H new ATOM 0 HZ2 LYS A 54 3.704 -5.577 -13.718 1.00 0.15 H new ATOM 0 HZ3 LYS A 54 3.377 -5.805 -12.068 1.00 0.15 H new ATOM 791 N LEU A 55 3.215 -2.899 -6.989 1.00 52.23 N ATOM 792 CA LEU A 55 2.578 -2.142 -5.900 1.00 54.24 C ATOM 793 C LEU A 55 3.571 -1.826 -4.769 1.00 25.13 C ATOM 794 O LEU A 55 3.739 -0.667 -4.382 1.00 43.54 O ATOM 795 CB LEU A 55 1.368 -2.917 -5.351 1.00 70.11 C ATOM 796 CG LEU A 55 0.706 -2.329 -4.086 1.00 45.22 C ATOM 797 CD1 LEU A 55 0.347 -0.856 -4.276 1.00 43.03 C ATOM 798 CD2 LEU A 55 -0.535 -3.137 -3.704 1.00 52.43 C ATOM 0 H LEU A 55 2.755 -3.781 -7.213 1.00 52.23 H new ATOM 0 HA LEU A 55 2.237 -1.192 -6.312 1.00 54.24 H new ATOM 0 HB2 LEU A 55 0.614 -2.979 -6.136 1.00 70.11 H new ATOM 0 HB3 LEU A 55 1.684 -3.937 -5.131 1.00 70.11 H new ATOM 0 HG LEU A 55 1.430 -2.393 -3.273 1.00 45.22 H new ATOM 0 HD11 LEU A 55 -0.117 -0.474 -3.366 1.00 43.03 H new ATOM 0 HD12 LEU A 55 1.251 -0.286 -4.489 1.00 43.03 H new ATOM 0 HD13 LEU A 55 -0.350 -0.756 -5.108 1.00 43.03 H new ATOM 0 HD21 LEU A 55 -0.988 -2.708 -2.810 1.00 52.43 H new ATOM 0 HD22 LEU A 55 -1.253 -3.110 -4.523 1.00 52.43 H new ATOM 0 HD23 LEU A 55 -0.250 -4.170 -3.506 1.00 52.43 H new ATOM 810 N VAL A 56 4.234 -2.855 -4.248 1.00 72.33 N ATOM 811 CA VAL A 56 5.197 -2.675 -3.156 1.00 40.01 C ATOM 812 C VAL A 56 6.359 -1.761 -3.572 1.00 40.21 C ATOM 813 O VAL A 56 6.811 -0.923 -2.789 1.00 54.20 O ATOM 814 CB VAL A 56 5.751 -4.034 -2.661 1.00 14.43 C ATOM 815 CG1 VAL A 56 6.734 -3.841 -1.507 1.00 63.35 C ATOM 816 CG2 VAL A 56 4.604 -4.953 -2.250 1.00 11.42 C ATOM 0 H VAL A 56 4.125 -3.820 -4.560 1.00 72.33 H new ATOM 0 HA VAL A 56 4.658 -2.198 -2.337 1.00 40.01 H new ATOM 0 HB VAL A 56 6.294 -4.502 -3.482 1.00 14.43 H new ATOM 0 HG11 VAL A 56 7.107 -4.812 -1.180 1.00 63.35 H new ATOM 0 HG12 VAL A 56 7.569 -3.225 -1.840 1.00 63.35 H new ATOM 0 HG13 VAL A 56 6.228 -3.348 -0.677 1.00 63.35 H new ATOM 0 HG21 VAL A 56 5.007 -5.905 -1.904 1.00 11.42 H new ATOM 0 HG22 VAL A 56 4.034 -4.487 -1.446 1.00 11.42 H new ATOM 0 HG23 VAL A 56 3.951 -5.125 -3.106 1.00 11.42 H new ATOM 826 N LYS A 57 6.833 -1.917 -4.805 1.00 44.32 N ATOM 827 CA LYS A 57 7.904 -1.063 -5.329 1.00 71.24 C ATOM 828 C LYS A 57 7.480 0.414 -5.352 1.00 23.55 C ATOM 829 O LYS A 57 8.230 1.283 -4.907 1.00 35.24 O ATOM 830 CB LYS A 57 8.332 -1.539 -6.726 1.00 0.03 C ATOM 831 CG LYS A 57 9.078 -2.874 -6.697 1.00 14.24 C ATOM 832 CD LYS A 57 9.298 -3.459 -8.090 1.00 33.35 C ATOM 833 CE LYS A 57 10.029 -4.797 -8.018 1.00 55.22 C ATOM 834 NZ LYS A 57 10.108 -5.480 -9.335 1.00 24.43 N ATOM 0 H LYS A 57 6.497 -2.623 -5.460 1.00 44.32 H new ATOM 0 HA LYS A 57 8.762 -1.144 -4.661 1.00 71.24 H new ATOM 0 HB2 LYS A 57 7.449 -1.636 -7.358 1.00 0.03 H new ATOM 0 HB3 LYS A 57 8.970 -0.782 -7.183 1.00 0.03 H new ATOM 0 HG2 LYS A 57 10.043 -2.735 -6.210 1.00 14.24 H new ATOM 0 HG3 LYS A 57 8.516 -3.586 -6.093 1.00 14.24 H new ATOM 0 HD2 LYS A 57 8.337 -3.593 -8.587 1.00 33.35 H new ATOM 0 HD3 LYS A 57 9.875 -2.759 -8.694 1.00 33.35 H new ATOM 0 HE2 LYS A 57 11.037 -4.635 -7.636 1.00 55.22 H new ATOM 0 HE3 LYS A 57 9.519 -5.447 -7.307 1.00 55.22 H new ATOM 0 HZ1 LYS A 57 10.686 -6.340 -9.246 1.00 24.43 H new ATOM 0 HZ2 LYS A 57 9.151 -5.737 -9.651 1.00 24.43 H new ATOM 0 HZ3 LYS A 57 10.543 -4.842 -10.032 1.00 24.43 H new ATOM 848 N GLU A 58 6.268 0.693 -5.836 1.00 72.24 N ATOM 849 CA GLU A 58 5.734 2.064 -5.833 1.00 53.31 C ATOM 850 C GLU A 58 5.637 2.628 -4.402 1.00 15.54 C ATOM 851 O GLU A 58 5.933 3.804 -4.165 1.00 21.54 O ATOM 852 CB GLU A 58 4.358 2.112 -6.517 1.00 5.31 C ATOM 853 CG GLU A 58 4.403 1.793 -8.009 1.00 13.44 C ATOM 854 CD GLU A 58 3.145 2.236 -8.739 1.00 50.53 C ATOM 855 OE1 GLU A 58 2.043 1.808 -8.353 1.00 61.32 O ATOM 856 OE2 GLU A 58 3.255 3.022 -9.704 1.00 1.10 O ATOM 0 H GLU A 58 5.638 -0.004 -6.233 1.00 72.24 H new ATOM 0 HA GLU A 58 6.429 2.688 -6.395 1.00 53.31 H new ATOM 0 HB2 GLU A 58 3.692 1.405 -6.023 1.00 5.31 H new ATOM 0 HB3 GLU A 58 3.928 3.104 -6.379 1.00 5.31 H new ATOM 0 HG2 GLU A 58 5.269 2.282 -8.455 1.00 13.44 H new ATOM 0 HG3 GLU A 58 4.538 0.720 -8.144 1.00 13.44 H new ATOM 863 N LEU A 59 5.220 1.783 -3.454 1.00 4.12 N ATOM 864 CA LEU A 59 5.182 2.157 -2.032 1.00 34.33 C ATOM 865 C LEU A 59 6.577 2.553 -1.515 1.00 72.05 C ATOM 866 O LEU A 59 6.755 3.628 -0.938 1.00 24.22 O ATOM 867 CB LEU A 59 4.633 0.993 -1.193 1.00 21.00 C ATOM 868 CG LEU A 59 3.191 0.570 -1.514 1.00 72.20 C ATOM 869 CD1 LEU A 59 2.832 -0.712 -0.770 1.00 45.34 C ATOM 870 CD2 LEU A 59 2.209 1.690 -1.173 1.00 33.33 C ATOM 0 H LEU A 59 4.903 0.832 -3.644 1.00 4.12 H new ATOM 0 HA LEU A 59 4.524 3.021 -1.935 1.00 34.33 H new ATOM 0 HB2 LEU A 59 5.285 0.130 -1.329 1.00 21.00 H new ATOM 0 HB3 LEU A 59 4.686 1.270 -0.140 1.00 21.00 H new ATOM 0 HG LEU A 59 3.121 0.375 -2.584 1.00 72.20 H new ATOM 0 HD11 LEU A 59 1.807 -0.997 -1.009 1.00 45.34 H new ATOM 0 HD12 LEU A 59 3.510 -1.510 -1.072 1.00 45.34 H new ATOM 0 HD13 LEU A 59 2.921 -0.547 0.304 1.00 45.34 H new ATOM 0 HD21 LEU A 59 1.194 1.369 -1.408 1.00 33.33 H new ATOM 0 HD22 LEU A 59 2.278 1.924 -0.111 1.00 33.33 H new ATOM 0 HD23 LEU A 59 2.453 2.578 -1.756 1.00 33.33 H new ATOM 882 N ASN A 60 7.562 1.676 -1.730 1.00 61.30 N ATOM 883 CA ASN A 60 8.943 1.939 -1.309 1.00 51.03 C ATOM 884 C ASN A 60 9.490 3.229 -1.930 1.00 20.04 C ATOM 885 O ASN A 60 10.040 4.080 -1.228 1.00 41.41 O ATOM 886 CB ASN A 60 9.860 0.768 -1.676 1.00 12.30 C ATOM 887 CG ASN A 60 9.680 -0.416 -0.751 1.00 73.11 C ATOM 888 OD1 ASN A 60 10.252 -0.457 0.323 1.00 2.43 O ATOM 889 ND2 ASN A 60 8.903 -1.394 -1.161 1.00 43.14 N ATOM 0 H ASN A 60 7.429 0.777 -2.193 1.00 61.30 H new ATOM 0 HA ASN A 60 8.926 2.058 -0.226 1.00 51.03 H new ATOM 0 HB2 ASN A 60 9.658 0.459 -2.701 1.00 12.30 H new ATOM 0 HB3 ASN A 60 10.898 1.098 -1.642 1.00 12.30 H new ATOM 0 HD21 ASN A 60 8.766 -2.217 -0.574 1.00 43.14 H new ATOM 0 HD22 ASN A 60 8.437 -1.330 -2.066 1.00 43.14 H new ATOM 896 N GLU A 61 9.342 3.363 -3.248 1.00 42.30 N ATOM 897 CA GLU A 61 9.782 4.567 -3.953 1.00 60.52 C ATOM 898 C GLU A 61 9.197 5.825 -3.299 1.00 14.35 C ATOM 899 O GLU A 61 9.908 6.801 -3.070 1.00 15.23 O ATOM 900 CB GLU A 61 9.380 4.498 -5.436 1.00 11.33 C ATOM 901 CG GLU A 61 10.089 3.389 -6.213 1.00 11.32 C ATOM 902 CD GLU A 61 9.717 3.362 -7.690 1.00 12.32 C ATOM 903 OE1 GLU A 61 10.137 4.278 -8.429 1.00 4.44 O ATOM 904 OE2 GLU A 61 9.018 2.422 -8.123 1.00 63.14 O ATOM 0 H GLU A 61 8.921 2.654 -3.848 1.00 42.30 H new ATOM 0 HA GLU A 61 10.869 4.622 -3.889 1.00 60.52 H new ATOM 0 HB2 GLU A 61 8.303 4.346 -5.505 1.00 11.33 H new ATOM 0 HB3 GLU A 61 9.598 5.456 -5.907 1.00 11.33 H new ATOM 0 HG2 GLU A 61 11.167 3.519 -6.118 1.00 11.32 H new ATOM 0 HG3 GLU A 61 9.844 2.426 -5.765 1.00 11.32 H new ATOM 911 N TYR A 62 7.908 5.775 -2.971 1.00 23.03 N ATOM 912 CA TYR A 62 7.219 6.896 -2.316 1.00 1.45 C ATOM 913 C TYR A 62 7.888 7.288 -0.986 1.00 71.25 C ATOM 914 O TYR A 62 8.243 8.452 -0.782 1.00 72.15 O ATOM 915 CB TYR A 62 5.750 6.531 -2.073 1.00 44.41 C ATOM 916 CG TYR A 62 4.953 7.598 -1.343 1.00 14.34 C ATOM 917 CD1 TYR A 62 4.575 8.772 -1.984 1.00 23.24 C ATOM 918 CD2 TYR A 62 4.573 7.427 -0.015 1.00 23.02 C ATOM 919 CE1 TYR A 62 3.843 9.741 -1.328 1.00 54.20 C ATOM 920 CE2 TYR A 62 3.839 8.390 0.646 1.00 3.34 C ATOM 921 CZ TYR A 62 3.476 9.545 -0.013 1.00 42.01 C ATOM 922 OH TYR A 62 2.747 10.509 0.646 1.00 14.22 O ATOM 0 H TYR A 62 7.312 4.966 -3.148 1.00 23.03 H new ATOM 0 HA TYR A 62 7.282 7.757 -2.982 1.00 1.45 H new ATOM 0 HB2 TYR A 62 5.274 6.332 -3.033 1.00 44.41 H new ATOM 0 HB3 TYR A 62 5.708 5.606 -1.498 1.00 44.41 H new ATOM 0 HD1 TYR A 62 4.859 8.929 -3.014 1.00 23.24 H new ATOM 0 HD2 TYR A 62 4.858 6.525 0.507 1.00 23.02 H new ATOM 0 HE1 TYR A 62 3.559 10.648 -1.842 1.00 54.20 H new ATOM 0 HE2 TYR A 62 3.550 8.240 1.676 1.00 3.34 H new ATOM 0 HH TYR A 62 2.570 10.215 1.564 1.00 14.22 H new ATOM 932 N PHE A 63 8.058 6.318 -0.087 1.00 53.14 N ATOM 933 CA PHE A 63 8.678 6.577 1.219 1.00 25.02 C ATOM 934 C PHE A 63 10.080 7.189 1.079 1.00 22.10 C ATOM 935 O PHE A 63 10.437 8.114 1.812 1.00 24.34 O ATOM 936 CB PHE A 63 8.744 5.291 2.058 1.00 74.40 C ATOM 937 CG PHE A 63 7.430 4.920 2.706 1.00 2.12 C ATOM 938 CD1 PHE A 63 6.949 5.658 3.778 1.00 45.13 C ATOM 939 CD2 PHE A 63 6.685 3.840 2.256 1.00 72.00 C ATOM 940 CE1 PHE A 63 5.755 5.326 4.390 1.00 1.01 C ATOM 941 CE2 PHE A 63 5.488 3.505 2.864 1.00 63.33 C ATOM 942 CZ PHE A 63 5.023 4.248 3.933 1.00 44.10 C ATOM 0 H PHE A 63 7.777 5.349 -0.235 1.00 53.14 H new ATOM 0 HA PHE A 63 8.048 7.303 1.732 1.00 25.02 H new ATOM 0 HB2 PHE A 63 9.070 4.469 1.421 1.00 74.40 H new ATOM 0 HB3 PHE A 63 9.500 5.412 2.834 1.00 74.40 H new ATOM 0 HD1 PHE A 63 7.515 6.504 4.139 1.00 45.13 H new ATOM 0 HD2 PHE A 63 7.043 3.254 1.422 1.00 72.00 H new ATOM 0 HE1 PHE A 63 5.395 5.909 5.225 1.00 1.01 H new ATOM 0 HE2 PHE A 63 4.917 2.663 2.503 1.00 63.33 H new ATOM 0 HZ PHE A 63 4.090 3.986 4.409 1.00 44.10 H new ATOM 952 N GLU A 64 10.867 6.687 0.135 1.00 52.44 N ATOM 953 CA GLU A 64 12.213 7.221 -0.093 1.00 14.35 C ATOM 954 C GLU A 64 12.158 8.611 -0.754 1.00 62.42 C ATOM 955 O GLU A 64 13.027 9.456 -0.521 1.00 64.21 O ATOM 956 CB GLU A 64 13.051 6.248 -0.933 1.00 61.43 C ATOM 957 CG GLU A 64 13.119 4.833 -0.348 1.00 61.43 C ATOM 958 CD GLU A 64 14.290 4.015 -0.879 1.00 14.41 C ATOM 959 OE1 GLU A 64 14.641 4.167 -2.071 1.00 20.51 O ATOM 960 OE2 GLU A 64 14.872 3.218 -0.109 1.00 34.32 O ATOM 0 H GLU A 64 10.604 5.918 -0.482 1.00 52.44 H new ATOM 0 HA GLU A 64 12.695 7.334 0.878 1.00 14.35 H new ATOM 0 HB2 GLU A 64 12.633 6.197 -1.938 1.00 61.43 H new ATOM 0 HB3 GLU A 64 14.063 6.642 -1.028 1.00 61.43 H new ATOM 0 HG2 GLU A 64 13.194 4.900 0.737 1.00 61.43 H new ATOM 0 HG3 GLU A 64 12.189 4.310 -0.571 1.00 61.43 H new ATOM 967 N LYS A 65 11.123 8.854 -1.564 1.00 62.22 N ATOM 968 CA LYS A 65 10.896 10.184 -2.154 1.00 34.40 C ATOM 969 C LYS A 65 10.558 11.218 -1.069 1.00 13.13 C ATOM 970 O LYS A 65 10.819 12.408 -1.237 1.00 21.23 O ATOM 971 CB LYS A 65 9.759 10.147 -3.190 1.00 42.22 C ATOM 972 CG LYS A 65 10.084 9.361 -4.457 1.00 72.50 C ATOM 973 CD LYS A 65 11.168 10.028 -5.306 1.00 24.32 C ATOM 974 CE LYS A 65 10.712 11.366 -5.882 1.00 24.03 C ATOM 975 NZ LYS A 65 11.679 11.892 -6.881 1.00 73.23 N ATOM 0 H LYS A 65 10.430 8.153 -1.827 1.00 62.22 H new ATOM 0 HA LYS A 65 11.821 10.476 -2.652 1.00 34.40 H new ATOM 0 HB2 LYS A 65 8.874 9.712 -2.725 1.00 42.22 H new ATOM 0 HB3 LYS A 65 9.503 11.170 -3.467 1.00 42.22 H new ATOM 0 HG2 LYS A 65 10.409 8.357 -4.183 1.00 72.50 H new ATOM 0 HG3 LYS A 65 9.178 9.251 -5.053 1.00 72.50 H new ATOM 0 HD2 LYS A 65 12.059 10.182 -4.698 1.00 24.32 H new ATOM 0 HD3 LYS A 65 11.449 9.361 -6.121 1.00 24.32 H new ATOM 0 HE2 LYS A 65 9.734 11.247 -6.349 1.00 24.03 H new ATOM 0 HE3 LYS A 65 10.594 12.089 -5.075 1.00 24.03 H new ATOM 0 HZ1 LYS A 65 11.336 12.802 -7.250 1.00 73.23 H new ATOM 0 HZ2 LYS A 65 12.605 12.029 -6.429 1.00 73.23 H new ATOM 0 HZ3 LYS A 65 11.773 11.214 -7.664 1.00 73.23 H new ATOM 989 N LYS A 66 9.965 10.761 0.035 1.00 72.02 N ATOM 990 CA LYS A 66 9.641 11.645 1.163 1.00 12.01 C ATOM 991 C LYS A 66 10.883 12.383 1.683 1.00 11.13 C ATOM 992 O LYS A 66 10.845 13.587 1.916 1.00 41.23 O ATOM 993 CB LYS A 66 9.002 10.854 2.309 1.00 23.33 C ATOM 994 CG LYS A 66 7.618 10.294 1.991 1.00 15.12 C ATOM 995 CD LYS A 66 7.007 9.599 3.203 1.00 40.25 C ATOM 996 CE LYS A 66 6.989 10.513 4.422 1.00 71.11 C ATOM 997 NZ LYS A 66 6.328 9.873 5.587 1.00 60.11 N ATOM 0 H LYS A 66 9.699 9.786 0.175 1.00 72.02 H new ATOM 0 HA LYS A 66 8.931 12.384 0.793 1.00 12.01 H new ATOM 0 HB2 LYS A 66 9.662 10.029 2.578 1.00 23.33 H new ATOM 0 HB3 LYS A 66 8.927 11.500 3.184 1.00 23.33 H new ATOM 0 HG2 LYS A 66 6.963 11.102 1.665 1.00 15.12 H new ATOM 0 HG3 LYS A 66 7.691 9.588 1.163 1.00 15.12 H new ATOM 0 HD2 LYS A 66 5.990 9.284 2.968 1.00 40.25 H new ATOM 0 HD3 LYS A 66 7.576 8.697 3.431 1.00 40.25 H new ATOM 0 HE2 LYS A 66 8.011 10.783 4.688 1.00 71.11 H new ATOM 0 HE3 LYS A 66 6.469 11.438 4.174 1.00 71.11 H new ATOM 0 HZ1 LYS A 66 6.426 10.485 6.422 1.00 60.11 H new ATOM 0 HZ2 LYS A 66 5.319 9.731 5.379 1.00 60.11 H new ATOM 0 HZ3 LYS A 66 6.775 8.953 5.778 1.00 60.11 H new ATOM 1011 N GLU A 67 11.982 11.655 1.860 1.00 54.12 N ATOM 1012 CA GLU A 67 13.240 12.254 2.325 1.00 13.44 C ATOM 1013 C GLU A 67 13.792 13.269 1.304 1.00 13.14 C ATOM 1014 O GLU A 67 14.585 14.148 1.646 1.00 4.34 O ATOM 1015 CB GLU A 67 14.272 11.153 2.613 1.00 51.31 C ATOM 1016 CG GLU A 67 13.814 10.158 3.678 1.00 70.41 C ATOM 1017 CD GLU A 67 14.879 9.130 4.031 1.00 61.01 C ATOM 1018 OE1 GLU A 67 15.769 9.444 4.851 1.00 32.33 O ATOM 1019 OE2 GLU A 67 14.822 7.997 3.506 1.00 24.14 O ATOM 0 H GLU A 67 12.032 10.650 1.690 1.00 54.12 H new ATOM 0 HA GLU A 67 13.038 12.798 3.248 1.00 13.44 H new ATOM 0 HB2 GLU A 67 14.485 10.614 1.690 1.00 51.31 H new ATOM 0 HB3 GLU A 67 15.205 11.615 2.935 1.00 51.31 H new ATOM 0 HG2 GLU A 67 13.531 10.703 4.578 1.00 70.41 H new ATOM 0 HG3 GLU A 67 12.922 9.641 3.324 1.00 70.41 H new ATOM 1026 N VAL A 68 13.361 13.139 0.051 1.00 15.12 N ATOM 1027 CA VAL A 68 13.702 14.104 -1.000 1.00 1.51 C ATOM 1028 C VAL A 68 12.813 15.361 -0.907 1.00 14.34 C ATOM 1029 O VAL A 68 13.291 16.493 -1.015 1.00 43.34 O ATOM 1030 CB VAL A 68 13.542 13.465 -2.404 1.00 14.51 C ATOM 1031 CG1 VAL A 68 13.777 14.493 -3.509 1.00 42.14 C ATOM 1032 CG2 VAL A 68 14.476 12.264 -2.558 1.00 24.40 C ATOM 0 H VAL A 68 12.771 12.370 -0.266 1.00 15.12 H new ATOM 0 HA VAL A 68 14.742 14.395 -0.853 1.00 1.51 H new ATOM 0 HB VAL A 68 12.516 13.111 -2.500 1.00 14.51 H new ATOM 0 HG11 VAL A 68 13.658 14.015 -4.482 1.00 42.14 H new ATOM 0 HG12 VAL A 68 13.054 15.303 -3.412 1.00 42.14 H new ATOM 0 HG13 VAL A 68 14.787 14.895 -3.423 1.00 42.14 H new ATOM 0 HG21 VAL A 68 14.349 11.829 -3.549 1.00 24.40 H new ATOM 0 HG22 VAL A 68 15.509 12.588 -2.433 1.00 24.40 H new ATOM 0 HG23 VAL A 68 14.236 11.517 -1.801 1.00 24.40 H new ATOM 1042 N LEU A 69 11.511 15.142 -0.730 1.00 52.35 N ATOM 1043 CA LEU A 69 10.540 16.234 -0.574 1.00 23.30 C ATOM 1044 C LEU A 69 10.760 17.010 0.738 1.00 11.24 C ATOM 1045 O LEU A 69 11.000 18.221 0.725 1.00 71.54 O ATOM 1046 CB LEU A 69 9.116 15.662 -0.607 1.00 23.31 C ATOM 1047 CG LEU A 69 8.741 14.913 -1.895 1.00 10.35 C ATOM 1048 CD1 LEU A 69 7.412 14.185 -1.729 1.00 61.55 C ATOM 1049 CD2 LEU A 69 8.686 15.875 -3.081 1.00 44.42 C ATOM 0 H LEU A 69 11.097 14.211 -0.690 1.00 52.35 H new ATOM 0 HA LEU A 69 10.682 16.931 -1.400 1.00 23.30 H new ATOM 0 HB2 LEU A 69 8.995 14.983 0.237 1.00 23.31 H new ATOM 0 HB3 LEU A 69 8.410 16.480 -0.463 1.00 23.31 H new ATOM 0 HG LEU A 69 9.513 14.169 -2.094 1.00 10.35 H new ATOM 0 HD11 LEU A 69 7.166 13.662 -2.653 1.00 61.55 H new ATOM 0 HD12 LEU A 69 7.491 13.465 -0.914 1.00 61.55 H new ATOM 0 HD13 LEU A 69 6.628 14.907 -1.501 1.00 61.55 H new ATOM 0 HD21 LEU A 69 8.419 15.325 -3.983 1.00 44.42 H new ATOM 0 HD22 LEU A 69 7.938 16.645 -2.891 1.00 44.42 H new ATOM 0 HD23 LEU A 69 9.662 16.342 -3.216 1.00 44.42 H new ATOM 1061 N GLU A 70 10.659 16.306 1.868 1.00 62.43 N ATOM 1062 CA GLU A 70 10.859 16.909 3.194 1.00 11.40 C ATOM 1063 C GLU A 70 12.357 17.129 3.499 1.00 41.31 C ATOM 1064 O GLU A 70 12.900 18.192 3.119 1.00 35.97 O ATOM 1065 CB GLU A 70 10.223 16.016 4.274 1.00 25.12 C ATOM 1066 CG GLU A 70 8.818 15.539 3.926 1.00 35.34 C ATOM 1067 CD GLU A 70 8.131 14.824 5.082 1.00 65.25 C ATOM 1068 OE1 GLU A 70 8.288 13.591 5.206 1.00 33.33 O ATOM 1069 OE2 GLU A 70 7.432 15.494 5.875 1.00 71.25 O ATOM 0 H GLU A 70 10.438 15.310 1.894 1.00 62.43 H new ATOM 0 HA GLU A 70 10.375 17.885 3.197 1.00 11.40 H new ATOM 0 HB2 GLU A 70 10.862 15.148 4.437 1.00 25.12 H new ATOM 0 HB3 GLU A 70 10.188 16.567 5.214 1.00 25.12 H new ATOM 0 HG2 GLU A 70 8.214 16.395 3.624 1.00 35.34 H new ATOM 0 HG3 GLU A 70 8.870 14.867 3.069 1.00 35.34 H new TER 1076 GLU A 70