USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 734 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0149) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00554) USER MOD Single : A 8 ASN : amide:sc= -1.86 K(o=-1.9,f=-8.1!) USER MOD Single : A 13 LYS NZ :NH3+ -140:sc= 1.13 (180deg=-0.403) USER MOD Single : A 14 SER OG : rot 67:sc= 1.09 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= -0.0855 (180deg=-0.56) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 166:sc= 0.788 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= 1.17 (180deg=0.125!) USER MOD Single : A 32 MET CE :methyl -174:sc= -0.178 (180deg=-0.281) USER MOD Single : A 34 MET CE :methyl -163:sc= -0.0631 (180deg=-0.407) USER MOD Single : A 40 THR OG1 : rot -120:sc= 0.0865 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 163:sc= 1.21 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 67 LYS NZ :NH3+ -122:sc= -2.73! (180deg=-4.34!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= 0.00323 (180deg=-0.024) USER MOD Single : A 81 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=-0.16) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS :FLIP no HE2:sc= -0.0625 F(o=-0.88,f=-0.063) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 85 HIS : no HE2:sc= -0.0613 K(o=-0.061,f=-1.6) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.696 9.644 11.588 1.00 32.33 N ATOM 2 CA MET A 1 13.090 8.595 12.437 1.00 52.53 C ATOM 3 C MET A 1 12.443 7.533 11.568 1.00 34.14 C ATOM 4 O MET A 1 11.496 7.812 10.832 1.00 41.05 O ATOM 5 CB MET A 1 12.047 9.200 13.382 1.00 5.14 C ATOM 6 CG MET A 1 12.643 10.041 14.498 1.00 54.24 C ATOM 7 SD MET A 1 11.382 10.778 15.559 1.00 74.53 S ATOM 8 CE MET A 1 12.403 11.531 16.827 1.00 22.33 C ATOM 0 H1 MET A 1 14.223 10.312 12.185 1.00 32.33 H new ATOM 0 H2 MET A 1 14.345 9.205 10.904 1.00 32.33 H new ATOM 0 H3 MET A 1 12.947 10.153 11.077 1.00 32.33 H new ATOM 0 HA MET A 1 13.878 8.139 13.036 1.00 52.53 H new ATOM 0 HB2 MET A 1 11.360 9.817 12.802 1.00 5.14 H new ATOM 0 HB3 MET A 1 11.459 8.395 13.822 1.00 5.14 H new ATOM 0 HG2 MET A 1 13.304 9.420 15.103 1.00 54.24 H new ATOM 0 HG3 MET A 1 13.256 10.832 14.065 1.00 54.24 H new ATOM 0 HE1 MET A 1 11.766 12.028 17.559 1.00 22.33 H new ATOM 0 HE2 MET A 1 12.994 10.761 17.323 1.00 22.33 H new ATOM 0 HE3 MET A 1 13.070 12.262 16.370 1.00 22.33 H new ATOM 20 N THR A 2 12.960 6.318 11.645 1.00 50.14 N ATOM 21 CA THR A 2 12.451 5.220 10.842 1.00 74.32 C ATOM 22 C THR A 2 11.096 4.738 11.360 1.00 55.44 C ATOM 23 O THR A 2 11.012 4.085 12.403 1.00 34.25 O ATOM 24 CB THR A 2 13.442 4.041 10.833 1.00 55.12 C ATOM 25 OG1 THR A 2 14.755 4.515 10.507 1.00 31.41 O ATOM 26 CG2 THR A 2 13.020 2.980 9.825 1.00 21.45 C ATOM 0 H THR A 2 13.735 6.067 12.258 1.00 50.14 H new ATOM 0 HA THR A 2 12.328 5.593 9.825 1.00 74.32 H new ATOM 0 HB THR A 2 13.447 3.592 11.826 1.00 55.12 H new ATOM 0 HG1 THR A 2 15.383 3.763 10.504 1.00 31.41 H new ATOM 0 HG21 THR A 2 13.737 2.159 9.839 1.00 21.45 H new ATOM 0 HG22 THR A 2 12.031 2.603 10.086 1.00 21.45 H new ATOM 0 HG23 THR A 2 12.989 3.418 8.827 1.00 21.45 H new ATOM 34 N LYS A 3 10.036 5.096 10.655 1.00 12.40 N ATOM 35 CA LYS A 3 8.711 4.585 10.964 1.00 22.31 C ATOM 36 C LYS A 3 8.030 4.116 9.689 1.00 11.24 C ATOM 37 O LYS A 3 8.403 4.538 8.591 1.00 32.54 O ATOM 38 CB LYS A 3 7.853 5.634 11.684 1.00 1.02 C ATOM 39 CG LYS A 3 7.583 6.900 10.884 1.00 62.31 C ATOM 40 CD LYS A 3 6.522 7.748 11.566 1.00 14.12 C ATOM 41 CE LYS A 3 6.211 9.022 10.793 1.00 15.41 C ATOM 42 NZ LYS A 3 7.335 9.994 10.833 1.00 23.45 N ATOM 0 H LYS A 3 10.067 5.739 9.864 1.00 12.40 H new ATOM 0 HA LYS A 3 8.822 3.739 11.642 1.00 22.31 H new ATOM 0 HB2 LYS A 3 6.899 5.180 11.951 1.00 1.02 H new ATOM 0 HB3 LYS A 3 8.347 5.909 12.616 1.00 1.02 H new ATOM 0 HG2 LYS A 3 8.504 7.474 10.780 1.00 62.31 H new ATOM 0 HG3 LYS A 3 7.255 6.638 9.878 1.00 62.31 H new ATOM 0 HD2 LYS A 3 5.609 7.162 11.678 1.00 14.12 H new ATOM 0 HD3 LYS A 3 6.859 8.008 12.569 1.00 14.12 H new ATOM 0 HE2 LYS A 3 5.988 8.770 9.756 1.00 15.41 H new ATOM 0 HE3 LYS A 3 5.316 9.487 11.208 1.00 15.41 H new ATOM 0 HZ1 LYS A 3 7.065 10.859 10.322 1.00 23.45 H new ATOM 0 HZ2 LYS A 3 7.555 10.230 11.822 1.00 23.45 H new ATOM 0 HZ3 LYS A 3 8.173 9.574 10.383 1.00 23.45 H new ATOM 56 N GLY A 4 7.039 3.249 9.836 1.00 62.41 N ATOM 57 CA GLY A 4 6.377 2.677 8.684 1.00 0.14 C ATOM 58 C GLY A 4 7.076 1.425 8.189 1.00 4.31 C ATOM 59 O GLY A 4 8.278 1.244 8.402 1.00 74.12 O ATOM 0 H GLY A 4 6.681 2.931 10.737 1.00 62.41 H new ATOM 0 HA2 GLY A 4 5.345 2.438 8.941 1.00 0.14 H new ATOM 0 HA3 GLY A 4 6.344 3.414 7.882 1.00 0.14 H new ATOM 63 N ILE A 5 6.326 0.556 7.539 1.00 62.44 N ATOM 64 CA ILE A 5 6.865 -0.670 6.973 1.00 23.34 C ATOM 65 C ILE A 5 6.528 -0.733 5.493 1.00 30.44 C ATOM 66 O ILE A 5 5.892 0.175 4.968 1.00 2.21 O ATOM 67 CB ILE A 5 6.302 -1.919 7.687 1.00 63.25 C ATOM 68 CG1 ILE A 5 4.768 -1.884 7.703 1.00 50.11 C ATOM 69 CG2 ILE A 5 6.853 -2.011 9.102 1.00 13.20 C ATOM 70 CD1 ILE A 5 4.134 -3.081 8.382 1.00 75.13 C ATOM 0 H ILE A 5 5.325 0.678 7.387 1.00 62.44 H new ATOM 0 HA ILE A 5 7.946 -0.662 7.112 1.00 23.34 H new ATOM 0 HB ILE A 5 6.616 -2.806 7.137 1.00 63.25 H new ATOM 0 HG12 ILE A 5 4.440 -0.976 8.209 1.00 50.11 H new ATOM 0 HG13 ILE A 5 4.405 -1.826 6.677 1.00 50.11 H new ATOM 0 HG21 ILE A 5 6.448 -2.896 9.593 1.00 13.20 H new ATOM 0 HG22 ILE A 5 7.940 -2.082 9.065 1.00 13.20 H new ATOM 0 HG23 ILE A 5 6.566 -1.121 9.663 1.00 13.20 H new ATOM 0 HD11 ILE A 5 3.049 -2.983 8.353 1.00 75.13 H new ATOM 0 HD12 ILE A 5 4.430 -3.993 7.863 1.00 75.13 H new ATOM 0 HD13 ILE A 5 4.466 -3.129 9.419 1.00 75.13 H new ATOM 82 N GLY A 6 6.953 -1.780 4.813 1.00 51.23 N ATOM 83 CA GLY A 6 6.621 -1.900 3.412 1.00 4.45 C ATOM 84 C GLY A 6 5.190 -2.362 3.215 1.00 32.20 C ATOM 85 O GLY A 6 4.621 -3.018 4.089 1.00 61.44 O ATOM 0 H GLY A 6 7.514 -2.540 5.197 1.00 51.23 H new ATOM 0 HA2 GLY A 6 6.764 -0.938 2.920 1.00 4.45 H new ATOM 0 HA3 GLY A 6 7.301 -2.606 2.936 1.00 4.45 H new ATOM 89 N LEU A 7 4.608 -2.016 2.075 1.00 23.53 N ATOM 90 CA LEU A 7 3.236 -2.399 1.758 1.00 64.52 C ATOM 91 C LEU A 7 3.091 -3.921 1.725 1.00 22.33 C ATOM 92 O LEU A 7 2.019 -4.461 1.997 1.00 42.23 O ATOM 93 CB LEU A 7 2.820 -1.796 0.410 1.00 40.32 C ATOM 94 CG LEU A 7 1.362 -2.029 0.005 1.00 70.14 C ATOM 95 CD1 LEU A 7 0.421 -1.345 0.985 1.00 31.04 C ATOM 96 CD2 LEU A 7 1.117 -1.531 -1.413 1.00 3.41 C ATOM 0 H LEU A 7 5.067 -1.467 1.349 1.00 23.53 H new ATOM 0 HA LEU A 7 2.580 -2.011 2.538 1.00 64.52 H new ATOM 0 HB2 LEU A 7 3.003 -0.722 0.440 1.00 40.32 H new ATOM 0 HB3 LEU A 7 3.465 -2.207 -0.367 1.00 40.32 H new ATOM 0 HG LEU A 7 1.163 -3.100 0.031 1.00 70.14 H new ATOM 0 HD11 LEU A 7 -0.611 -1.521 0.682 1.00 31.04 H new ATOM 0 HD12 LEU A 7 0.580 -1.750 1.985 1.00 31.04 H new ATOM 0 HD13 LEU A 7 0.619 -0.273 0.992 1.00 31.04 H new ATOM 0 HD21 LEU A 7 0.076 -1.704 -1.685 1.00 3.41 H new ATOM 0 HD22 LEU A 7 1.333 -0.464 -1.466 1.00 3.41 H new ATOM 0 HD23 LEU A 7 1.767 -2.068 -2.104 1.00 3.41 H new ATOM 108 N ASN A 8 4.184 -4.608 1.412 1.00 25.20 N ATOM 109 CA ASN A 8 4.186 -6.067 1.373 1.00 4.10 C ATOM 110 C ASN A 8 4.111 -6.667 2.780 1.00 14.32 C ATOM 111 O ASN A 8 3.806 -7.852 2.943 1.00 43.21 O ATOM 112 CB ASN A 8 5.428 -6.594 0.631 1.00 53.41 C ATOM 113 CG ASN A 8 6.745 -6.068 1.186 1.00 52.41 C ATOM 114 OD1 ASN A 8 6.875 -5.780 2.374 1.00 33.12 O ATOM 115 ND2 ASN A 8 7.741 -5.944 0.321 1.00 44.25 N ATOM 0 H ASN A 8 5.080 -4.179 1.182 1.00 25.20 H new ATOM 0 HA ASN A 8 3.296 -6.380 0.827 1.00 4.10 H new ATOM 0 HB2 ASN A 8 5.433 -7.683 0.679 1.00 53.41 H new ATOM 0 HB3 ASN A 8 5.354 -6.322 -0.422 1.00 53.41 H new ATOM 0 HD21 ASN A 8 8.649 -5.601 0.634 1.00 44.25 H new ATOM 0 HD22 ASN A 8 7.600 -6.192 -0.658 1.00 44.25 H new ATOM 122 N GLU A 9 4.368 -5.847 3.794 1.00 10.30 N ATOM 123 CA GLU A 9 4.359 -6.303 5.175 1.00 64.01 C ATOM 124 C GLU A 9 2.984 -6.105 5.802 1.00 62.31 C ATOM 125 O GLU A 9 2.749 -6.495 6.947 1.00 74.12 O ATOM 126 CB GLU A 9 5.402 -5.535 5.985 1.00 44.13 C ATOM 127 CG GLU A 9 6.838 -5.832 5.595 1.00 15.21 C ATOM 128 CD GLU A 9 7.838 -5.005 6.377 1.00 4.13 C ATOM 129 OE1 GLU A 9 8.066 -5.305 7.568 1.00 50.34 O ATOM 130 OE2 GLU A 9 8.419 -4.060 5.799 1.00 52.34 O ATOM 0 H GLU A 9 4.586 -4.857 3.681 1.00 10.30 H new ATOM 0 HA GLU A 9 4.599 -7.366 5.184 1.00 64.01 H new ATOM 0 HB2 GLU A 9 5.220 -4.467 5.870 1.00 44.13 H new ATOM 0 HB3 GLU A 9 5.269 -5.769 7.041 1.00 44.13 H new ATOM 0 HG2 GLU A 9 7.043 -6.890 5.756 1.00 15.21 H new ATOM 0 HG3 GLU A 9 6.968 -5.641 4.530 1.00 15.21 H new ATOM 137 N VAL A 10 2.080 -5.501 5.053 1.00 35.03 N ATOM 138 CA VAL A 10 0.750 -5.202 5.556 1.00 23.34 C ATOM 139 C VAL A 10 -0.201 -6.360 5.265 1.00 64.44 C ATOM 140 O VAL A 10 0.065 -7.191 4.392 1.00 43.32 O ATOM 141 CB VAL A 10 0.203 -3.902 4.926 1.00 52.31 C ATOM 142 CG1 VAL A 10 -1.070 -3.438 5.619 1.00 34.00 C ATOM 143 CG2 VAL A 10 1.255 -2.803 4.967 1.00 5.12 C ATOM 0 H VAL A 10 2.243 -5.206 4.090 1.00 35.03 H new ATOM 0 HA VAL A 10 0.821 -5.062 6.635 1.00 23.34 H new ATOM 0 HB VAL A 10 -0.041 -4.119 3.886 1.00 52.31 H new ATOM 0 HG11 VAL A 10 -1.426 -2.521 5.150 1.00 34.00 H new ATOM 0 HG12 VAL A 10 -1.834 -4.211 5.532 1.00 34.00 H new ATOM 0 HG13 VAL A 10 -0.863 -3.249 6.672 1.00 34.00 H new ATOM 0 HG21 VAL A 10 0.851 -1.895 4.519 1.00 5.12 H new ATOM 0 HG22 VAL A 10 1.533 -2.604 6.002 1.00 5.12 H new ATOM 0 HG23 VAL A 10 2.136 -3.122 4.410 1.00 5.12 H new ATOM 153 N GLU A 11 -1.295 -6.422 6.009 1.00 15.34 N ATOM 154 CA GLU A 11 -2.295 -7.463 5.828 1.00 72.45 C ATOM 155 C GLU A 11 -3.442 -6.925 4.980 1.00 60.42 C ATOM 156 O GLU A 11 -3.500 -5.730 4.688 1.00 44.35 O ATOM 157 CB GLU A 11 -2.824 -7.941 7.186 1.00 10.51 C ATOM 158 CG GLU A 11 -3.598 -9.250 7.122 1.00 1.03 C ATOM 159 CD GLU A 11 -4.364 -9.541 8.397 1.00 15.41 C ATOM 160 OE1 GLU A 11 -3.801 -10.188 9.305 1.00 62.31 O ATOM 161 OE2 GLU A 11 -5.543 -9.141 8.486 1.00 75.14 O ATOM 0 H GLU A 11 -1.514 -5.757 6.751 1.00 15.34 H new ATOM 0 HA GLU A 11 -1.836 -8.311 5.320 1.00 72.45 H new ATOM 0 HB2 GLU A 11 -1.984 -8.060 7.870 1.00 10.51 H new ATOM 0 HB3 GLU A 11 -3.469 -7.169 7.605 1.00 10.51 H new ATOM 0 HG2 GLU A 11 -4.295 -9.214 6.285 1.00 1.03 H new ATOM 0 HG3 GLU A 11 -2.905 -10.068 6.925 1.00 1.03 H new ATOM 168 N ILE A 12 -4.349 -7.803 4.592 1.00 33.53 N ATOM 169 CA ILE A 12 -5.512 -7.405 3.816 1.00 22.11 C ATOM 170 C ILE A 12 -6.577 -6.803 4.723 1.00 41.22 C ATOM 171 O ILE A 12 -6.380 -6.721 5.936 1.00 12.21 O ATOM 172 CB ILE A 12 -6.117 -8.594 3.043 1.00 0.31 C ATOM 173 CG1 ILE A 12 -6.526 -9.709 4.010 1.00 21.45 C ATOM 174 CG2 ILE A 12 -5.129 -9.107 2.005 1.00 61.54 C ATOM 175 CD1 ILE A 12 -7.218 -10.874 3.339 1.00 34.23 C ATOM 0 H ILE A 12 -4.303 -8.800 4.802 1.00 33.53 H new ATOM 0 HA ILE A 12 -5.177 -6.659 3.095 1.00 22.11 H new ATOM 0 HB ILE A 12 -7.012 -8.254 2.522 1.00 0.31 H new ATOM 0 HG12 ILE A 12 -5.638 -10.074 4.526 1.00 21.45 H new ATOM 0 HG13 ILE A 12 -7.188 -9.294 4.770 1.00 21.45 H new ATOM 0 HG21 ILE A 12 -5.570 -9.946 1.467 1.00 61.54 H new ATOM 0 HG22 ILE A 12 -4.893 -8.309 1.301 1.00 61.54 H new ATOM 0 HG23 ILE A 12 -4.216 -9.434 2.502 1.00 61.54 H new ATOM 0 HD11 ILE A 12 -7.477 -11.623 4.087 1.00 34.23 H new ATOM 0 HD12 ILE A 12 -8.125 -10.524 2.847 1.00 34.23 H new ATOM 0 HD13 ILE A 12 -6.551 -11.316 2.599 1.00 34.23 H new ATOM 187 N LYS A 13 -7.680 -6.357 4.112 1.00 10.15 N ATOM 188 CA LYS A 13 -8.858 -5.812 4.812 1.00 15.44 C ATOM 189 C LYS A 13 -8.490 -4.691 5.790 1.00 4.21 C ATOM 190 O LYS A 13 -9.259 -4.366 6.697 1.00 4.40 O ATOM 191 CB LYS A 13 -9.654 -6.917 5.537 1.00 32.51 C ATOM 192 CG LYS A 13 -8.984 -7.488 6.778 1.00 41.21 C ATOM 193 CD LYS A 13 -9.913 -8.416 7.536 1.00 41.31 C ATOM 194 CE LYS A 13 -9.200 -9.116 8.679 1.00 24.25 C ATOM 195 NZ LYS A 13 -8.092 -9.975 8.195 1.00 34.41 N ATOM 0 H LYS A 13 -7.785 -6.363 3.097 1.00 10.15 H new ATOM 0 HA LYS A 13 -9.495 -5.380 4.040 1.00 15.44 H new ATOM 0 HB2 LYS A 13 -10.627 -6.515 5.821 1.00 32.51 H new ATOM 0 HB3 LYS A 13 -9.837 -7.731 4.835 1.00 32.51 H new ATOM 0 HG2 LYS A 13 -8.083 -8.030 6.489 1.00 41.21 H new ATOM 0 HG3 LYS A 13 -8.670 -6.673 7.431 1.00 41.21 H new ATOM 0 HD2 LYS A 13 -10.756 -7.846 7.928 1.00 41.31 H new ATOM 0 HD3 LYS A 13 -10.321 -9.160 6.852 1.00 41.31 H new ATOM 0 HE2 LYS A 13 -8.807 -8.372 9.372 1.00 24.25 H new ATOM 0 HE3 LYS A 13 -9.914 -9.723 9.235 1.00 24.25 H new ATOM 0 HZ1 LYS A 13 -8.076 -10.861 8.740 1.00 34.41 H new ATOM 0 HZ2 LYS A 13 -8.235 -10.191 7.188 1.00 34.41 H new ATOM 0 HZ3 LYS A 13 -7.187 -9.477 8.318 1.00 34.41 H new ATOM 209 N SER A 14 -7.336 -4.079 5.579 1.00 23.01 N ATOM 210 CA SER A 14 -6.861 -3.030 6.464 1.00 40.53 C ATOM 211 C SER A 14 -6.637 -1.734 5.693 1.00 25.23 C ATOM 212 O SER A 14 -6.381 -1.753 4.487 1.00 54.11 O ATOM 213 CB SER A 14 -5.562 -3.464 7.146 1.00 1.34 C ATOM 214 OG SER A 14 -5.710 -4.733 7.767 1.00 62.51 O ATOM 0 H SER A 14 -6.711 -4.291 4.801 1.00 23.01 H new ATOM 0 HA SER A 14 -7.621 -2.853 7.225 1.00 40.53 H new ATOM 0 HB2 SER A 14 -4.758 -3.507 6.411 1.00 1.34 H new ATOM 0 HB3 SER A 14 -5.273 -2.723 7.891 1.00 1.34 H new ATOM 0 HG SER A 14 -5.836 -5.421 7.080 1.00 62.51 H new ATOM 220 N LYS A 15 -6.748 -0.609 6.387 1.00 53.01 N ATOM 221 CA LYS A 15 -6.491 0.680 5.778 1.00 51.23 C ATOM 222 C LYS A 15 -5.193 1.258 6.321 1.00 71.14 C ATOM 223 O LYS A 15 -4.953 1.259 7.533 1.00 32.33 O ATOM 224 CB LYS A 15 -7.655 1.653 6.014 1.00 63.20 C ATOM 225 CG LYS A 15 -7.919 1.989 7.474 1.00 34.12 C ATOM 226 CD LYS A 15 -9.035 3.013 7.607 1.00 11.23 C ATOM 227 CE LYS A 15 -9.343 3.350 9.060 1.00 70.02 C ATOM 228 NZ LYS A 15 -8.220 4.070 9.726 1.00 14.24 N ATOM 0 H LYS A 15 -7.014 -0.568 7.371 1.00 53.01 H new ATOM 0 HA LYS A 15 -6.396 0.537 4.702 1.00 51.23 H new ATOM 0 HB2 LYS A 15 -7.452 2.578 5.474 1.00 63.20 H new ATOM 0 HB3 LYS A 15 -8.561 1.225 5.585 1.00 63.20 H new ATOM 0 HG2 LYS A 15 -8.187 1.082 8.016 1.00 34.12 H new ATOM 0 HG3 LYS A 15 -7.009 2.377 7.931 1.00 34.12 H new ATOM 0 HD2 LYS A 15 -8.754 3.923 7.077 1.00 11.23 H new ATOM 0 HD3 LYS A 15 -9.935 2.630 7.127 1.00 11.23 H new ATOM 0 HE2 LYS A 15 -10.242 3.964 9.105 1.00 70.02 H new ATOM 0 HE3 LYS A 15 -9.557 2.431 9.606 1.00 70.02 H new ATOM 0 HZ1 LYS A 15 -8.351 4.039 10.757 1.00 14.24 H new ATOM 0 HZ2 LYS A 15 -7.319 3.613 9.478 1.00 14.24 H new ATOM 0 HZ3 LYS A 15 -8.205 5.060 9.408 1.00 14.24 H new ATOM 242 N VAL A 16 -4.352 1.722 5.418 1.00 30.11 N ATOM 243 CA VAL A 16 -3.067 2.288 5.784 1.00 42.13 C ATOM 244 C VAL A 16 -2.874 3.636 5.123 1.00 5.21 C ATOM 245 O VAL A 16 -3.575 3.989 4.170 1.00 21.42 O ATOM 246 CB VAL A 16 -1.894 1.357 5.395 1.00 72.35 C ATOM 247 CG1 VAL A 16 -1.977 0.036 6.143 1.00 35.15 C ATOM 248 CG2 VAL A 16 -1.870 1.118 3.891 1.00 1.33 C ATOM 0 H VAL A 16 -4.538 1.718 4.415 1.00 30.11 H new ATOM 0 HA VAL A 16 -3.067 2.405 6.868 1.00 42.13 H new ATOM 0 HB VAL A 16 -0.965 1.851 5.679 1.00 72.35 H new ATOM 0 HG11 VAL A 16 -1.141 -0.600 5.852 1.00 35.15 H new ATOM 0 HG12 VAL A 16 -1.934 0.222 7.216 1.00 35.15 H new ATOM 0 HG13 VAL A 16 -2.915 -0.462 5.898 1.00 35.15 H new ATOM 0 HG21 VAL A 16 -1.037 0.461 3.640 1.00 1.33 H new ATOM 0 HG22 VAL A 16 -2.806 0.652 3.582 1.00 1.33 H new ATOM 0 HG23 VAL A 16 -1.750 2.070 3.373 1.00 1.33 H new ATOM 258 N LYS A 17 -1.937 4.389 5.649 1.00 12.02 N ATOM 259 CA LYS A 17 -1.589 5.671 5.082 1.00 32.13 C ATOM 260 C LYS A 17 -0.166 5.622 4.577 1.00 22.22 C ATOM 261 O LYS A 17 0.690 4.972 5.178 1.00 60.41 O ATOM 262 CB LYS A 17 -1.730 6.776 6.122 1.00 3.30 C ATOM 263 CG LYS A 17 -1.274 8.144 5.632 1.00 44.41 C ATOM 264 CD LYS A 17 -1.151 9.154 6.765 1.00 65.42 C ATOM 265 CE LYS A 17 -2.494 9.475 7.400 1.00 2.11 C ATOM 266 NZ LYS A 17 -2.372 10.539 8.433 1.00 14.21 N ATOM 0 H LYS A 17 -1.398 4.133 6.476 1.00 12.02 H new ATOM 0 HA LYS A 17 -2.267 5.888 4.257 1.00 32.13 H new ATOM 0 HB2 LYS A 17 -2.773 6.840 6.431 1.00 3.30 H new ATOM 0 HB3 LYS A 17 -1.152 6.506 7.006 1.00 3.30 H new ATOM 0 HG2 LYS A 17 -0.311 8.045 5.131 1.00 44.41 H new ATOM 0 HG3 LYS A 17 -1.982 8.517 4.892 1.00 44.41 H new ATOM 0 HD2 LYS A 17 -0.476 8.762 7.526 1.00 65.42 H new ATOM 0 HD3 LYS A 17 -0.703 10.072 6.384 1.00 65.42 H new ATOM 0 HE2 LYS A 17 -3.195 9.795 6.629 1.00 2.11 H new ATOM 0 HE3 LYS A 17 -2.908 8.574 7.852 1.00 2.11 H new ATOM 0 HZ1 LYS A 17 -3.307 10.732 8.845 1.00 14.21 H new ATOM 0 HZ2 LYS A 17 -1.723 10.223 9.182 1.00 14.21 H new ATOM 0 HZ3 LYS A 17 -2.001 11.406 7.996 1.00 14.21 H new ATOM 280 N VAL A 18 0.075 6.298 3.477 1.00 13.34 N ATOM 281 CA VAL A 18 1.404 6.360 2.902 1.00 31.51 C ATOM 282 C VAL A 18 2.290 7.265 3.741 1.00 41.41 C ATOM 283 O VAL A 18 2.248 8.493 3.614 1.00 63.22 O ATOM 284 CB VAL A 18 1.380 6.856 1.443 1.00 71.03 C ATOM 285 CG1 VAL A 18 2.783 6.862 0.845 1.00 54.23 C ATOM 286 CG2 VAL A 18 0.447 5.992 0.610 1.00 71.13 C ATOM 0 H VAL A 18 -0.634 6.816 2.958 1.00 13.34 H new ATOM 0 HA VAL A 18 1.808 5.348 2.899 1.00 31.51 H new ATOM 0 HB VAL A 18 1.008 7.881 1.435 1.00 71.03 H new ATOM 0 HG11 VAL A 18 2.738 7.216 -0.185 1.00 54.23 H new ATOM 0 HG12 VAL A 18 3.424 7.523 1.428 1.00 54.23 H new ATOM 0 HG13 VAL A 18 3.191 5.851 0.864 1.00 54.23 H new ATOM 0 HG21 VAL A 18 0.439 6.353 -0.419 1.00 71.13 H new ATOM 0 HG22 VAL A 18 0.794 4.959 0.630 1.00 71.13 H new ATOM 0 HG23 VAL A 18 -0.561 6.044 1.021 1.00 71.13 H new ATOM 296 N ILE A 19 3.043 6.645 4.638 1.00 61.03 N ATOM 297 CA ILE A 19 3.987 7.353 5.487 1.00 22.35 C ATOM 298 C ILE A 19 5.089 7.965 4.637 1.00 72.13 C ATOM 299 O ILE A 19 5.508 9.101 4.861 1.00 32.43 O ATOM 300 CB ILE A 19 4.613 6.407 6.538 1.00 72.14 C ATOM 301 CG1 ILE A 19 3.518 5.728 7.371 1.00 52.53 C ATOM 302 CG2 ILE A 19 5.583 7.157 7.442 1.00 65.13 C ATOM 303 CD1 ILE A 19 2.629 6.698 8.124 1.00 5.55 C ATOM 0 H ILE A 19 3.016 5.638 4.797 1.00 61.03 H new ATOM 0 HA ILE A 19 3.444 8.140 6.011 1.00 22.35 H new ATOM 0 HB ILE A 19 5.173 5.638 6.007 1.00 72.14 H new ATOM 0 HG12 ILE A 19 2.899 5.119 6.712 1.00 52.53 H new ATOM 0 HG13 ILE A 19 3.986 5.050 8.085 1.00 52.53 H new ATOM 0 HG21 ILE A 19 6.008 6.467 8.171 1.00 65.13 H new ATOM 0 HG22 ILE A 19 6.383 7.587 6.840 1.00 65.13 H new ATOM 0 HG23 ILE A 19 5.053 7.954 7.963 1.00 65.13 H new ATOM 0 HD11 ILE A 19 1.880 6.142 8.689 1.00 5.55 H new ATOM 0 HD12 ILE A 19 3.235 7.290 8.810 1.00 5.55 H new ATOM 0 HD13 ILE A 19 2.131 7.360 7.416 1.00 5.55 H new ATOM 315 N GLY A 20 5.544 7.208 3.649 1.00 72.14 N ATOM 316 CA GLY A 20 6.570 7.699 2.766 1.00 74.53 C ATOM 317 C GLY A 20 6.864 6.739 1.638 1.00 62.14 C ATOM 318 O GLY A 20 6.240 5.683 1.523 1.00 34.42 O ATOM 0 H GLY A 20 5.218 6.263 3.447 1.00 72.14 H new ATOM 0 HA2 GLY A 20 6.261 8.659 2.352 1.00 74.53 H new ATOM 0 HA3 GLY A 20 7.482 7.877 3.336 1.00 74.53 H new ATOM 322 N ILE A 21 7.818 7.113 0.812 1.00 65.11 N ATOM 323 CA ILE A 21 8.234 6.308 -0.320 1.00 70.21 C ATOM 324 C ILE A 21 9.748 6.144 -0.262 1.00 35.43 C ATOM 325 O ILE A 21 10.421 6.923 0.409 1.00 25.14 O ATOM 326 CB ILE A 21 7.810 6.957 -1.664 1.00 64.53 C ATOM 327 CG1 ILE A 21 6.305 7.247 -1.662 1.00 65.11 C ATOM 328 CG2 ILE A 21 8.162 6.060 -2.844 1.00 35.43 C ATOM 329 CD1 ILE A 21 5.805 7.899 -2.934 1.00 43.55 C ATOM 0 H ILE A 21 8.331 7.990 0.907 1.00 65.11 H new ATOM 0 HA ILE A 21 7.747 5.334 -0.267 1.00 70.21 H new ATOM 0 HB ILE A 21 8.357 7.894 -1.770 1.00 64.53 H new ATOM 0 HG12 ILE A 21 5.765 6.313 -1.507 1.00 65.11 H new ATOM 0 HG13 ILE A 21 6.071 7.894 -0.817 1.00 65.11 H new ATOM 0 HG21 ILE A 21 7.853 6.541 -3.772 1.00 35.43 H new ATOM 0 HG22 ILE A 21 9.239 5.891 -2.864 1.00 35.43 H new ATOM 0 HG23 ILE A 21 7.647 5.105 -2.741 1.00 35.43 H new ATOM 0 HD11 ILE A 21 4.732 8.072 -2.856 1.00 43.55 H new ATOM 0 HD12 ILE A 21 6.317 8.850 -3.081 1.00 43.55 H new ATOM 0 HD13 ILE A 21 6.006 7.244 -3.782 1.00 43.55 H new ATOM 341 N VAL A 22 10.269 5.129 -0.931 1.00 33.45 N ATOM 342 CA VAL A 22 11.703 4.855 -0.941 1.00 52.50 C ATOM 343 C VAL A 22 12.332 5.384 -2.232 1.00 23.13 C ATOM 344 O VAL A 22 12.337 4.703 -3.257 1.00 5.05 O ATOM 345 CB VAL A 22 11.999 3.344 -0.812 1.00 23.32 C ATOM 346 CG1 VAL A 22 13.493 3.095 -0.690 1.00 32.40 C ATOM 347 CG2 VAL A 22 11.263 2.746 0.376 1.00 12.31 C ATOM 0 H VAL A 22 9.716 4.472 -1.481 1.00 33.45 H new ATOM 0 HA VAL A 22 12.137 5.363 -0.080 1.00 52.50 H new ATOM 0 HB VAL A 22 11.641 2.854 -1.718 1.00 23.32 H new ATOM 0 HG11 VAL A 22 13.677 2.024 -0.600 1.00 32.40 H new ATOM 0 HG12 VAL A 22 13.999 3.477 -1.576 1.00 32.40 H new ATOM 0 HG13 VAL A 22 13.876 3.604 0.194 1.00 32.40 H new ATOM 0 HG21 VAL A 22 11.488 1.682 0.445 1.00 12.31 H new ATOM 0 HG22 VAL A 22 11.583 3.245 1.291 1.00 12.31 H new ATOM 0 HG23 VAL A 22 10.190 2.882 0.245 1.00 12.31 H new ATOM 357 N PRO A 23 12.805 6.649 -2.209 1.00 15.22 N ATOM 358 CA PRO A 23 13.317 7.341 -3.399 1.00 5.41 C ATOM 359 C PRO A 23 14.583 6.701 -3.959 1.00 33.02 C ATOM 360 O PRO A 23 15.081 5.704 -3.424 1.00 73.11 O ATOM 361 CB PRO A 23 13.614 8.764 -2.904 1.00 5.21 C ATOM 362 CG PRO A 23 12.923 8.877 -1.590 1.00 30.34 C ATOM 363 CD PRO A 23 12.922 7.494 -1.013 1.00 40.43 C ATOM 0 HA PRO A 23 12.597 7.303 -4.216 1.00 5.41 H new ATOM 0 HB2 PRO A 23 14.687 8.928 -2.799 1.00 5.21 H new ATOM 0 HB3 PRO A 23 13.245 9.510 -3.608 1.00 5.21 H new ATOM 0 HG2 PRO A 23 13.442 9.575 -0.933 1.00 30.34 H new ATOM 0 HG3 PRO A 23 11.907 9.251 -1.713 1.00 30.34 H new ATOM 0 HD2 PRO A 23 13.836 7.286 -0.457 1.00 40.43 H new ATOM 0 HD3 PRO A 23 12.090 7.342 -0.326 1.00 40.43 H new ATOM 371 N GLU A 24 15.112 7.307 -5.026 1.00 61.52 N ATOM 372 CA GLU A 24 16.226 6.760 -5.777 1.00 51.35 C ATOM 373 C GLU A 24 15.831 5.418 -6.381 1.00 11.42 C ATOM 374 O GLU A 24 16.671 4.571 -6.686 1.00 54.54 O ATOM 375 CB GLU A 24 17.472 6.640 -4.901 1.00 4.21 C ATOM 376 CG GLU A 24 18.131 7.978 -4.559 1.00 64.41 C ATOM 377 CD GLU A 24 17.264 8.884 -3.703 1.00 22.25 C ATOM 378 OE1 GLU A 24 17.311 8.758 -2.460 1.00 11.04 O ATOM 379 OE2 GLU A 24 16.537 9.729 -4.266 1.00 13.23 O ATOM 0 H GLU A 24 14.771 8.197 -5.389 1.00 61.52 H new ATOM 0 HA GLU A 24 16.474 7.442 -6.591 1.00 51.35 H new ATOM 0 HB2 GLU A 24 17.203 6.133 -3.974 1.00 4.21 H new ATOM 0 HB3 GLU A 24 18.201 6.009 -5.410 1.00 4.21 H new ATOM 0 HG2 GLU A 24 19.069 7.788 -4.037 1.00 64.41 H new ATOM 0 HG3 GLU A 24 18.381 8.497 -5.484 1.00 64.41 H new ATOM 386 N SER A 25 14.532 5.266 -6.583 1.00 41.11 N ATOM 387 CA SER A 25 13.962 4.056 -7.132 1.00 0.52 C ATOM 388 C SER A 25 13.337 4.354 -8.486 1.00 61.33 C ATOM 389 O SER A 25 12.872 5.472 -8.730 1.00 5.34 O ATOM 390 CB SER A 25 12.896 3.515 -6.181 1.00 72.42 C ATOM 391 OG SER A 25 12.496 2.205 -6.530 1.00 50.03 O ATOM 0 H SER A 25 13.843 5.986 -6.368 1.00 41.11 H new ATOM 0 HA SER A 25 14.747 3.310 -7.255 1.00 0.52 H new ATOM 0 HB2 SER A 25 13.283 3.517 -5.162 1.00 72.42 H new ATOM 0 HB3 SER A 25 12.029 4.175 -6.194 1.00 72.42 H new ATOM 0 HG SER A 25 11.996 1.807 -5.787 1.00 50.03 H new ATOM 397 N LYS A 26 13.317 3.364 -9.360 1.00 24.12 N ATOM 398 CA LYS A 26 12.706 3.526 -10.667 1.00 33.55 C ATOM 399 C LYS A 26 11.202 3.341 -10.553 1.00 24.35 C ATOM 400 O LYS A 26 10.429 3.985 -11.262 1.00 61.31 O ATOM 401 CB LYS A 26 13.290 2.539 -11.686 1.00 13.02 C ATOM 402 CG LYS A 26 14.747 2.809 -12.052 1.00 0.34 C ATOM 403 CD LYS A 26 15.712 2.349 -10.968 1.00 65.03 C ATOM 404 CE LYS A 26 15.694 0.839 -10.813 1.00 33.31 C ATOM 405 NZ LYS A 26 16.618 0.375 -9.746 1.00 73.05 N ATOM 0 H LYS A 26 13.716 2.441 -9.189 1.00 24.12 H new ATOM 0 HA LYS A 26 12.922 4.533 -11.024 1.00 33.55 H new ATOM 0 HB2 LYS A 26 13.209 1.529 -11.285 1.00 13.02 H new ATOM 0 HB3 LYS A 26 12.687 2.571 -12.593 1.00 13.02 H new ATOM 0 HG2 LYS A 26 14.985 2.300 -12.986 1.00 0.34 H new ATOM 0 HG3 LYS A 26 14.883 3.876 -12.227 1.00 0.34 H new ATOM 0 HD2 LYS A 26 16.721 2.679 -11.214 1.00 65.03 H new ATOM 0 HD3 LYS A 26 15.446 2.817 -10.020 1.00 65.03 H new ATOM 0 HE2 LYS A 26 14.681 0.511 -10.582 1.00 33.31 H new ATOM 0 HE3 LYS A 26 15.972 0.375 -11.759 1.00 33.31 H new ATOM 0 HZ1 LYS A 26 16.574 -0.662 -9.675 1.00 73.05 H new ATOM 0 HZ2 LYS A 26 17.590 0.665 -9.978 1.00 73.05 H new ATOM 0 HZ3 LYS A 26 16.339 0.797 -8.837 1.00 73.05 H new ATOM 419 N VAL A 27 10.791 2.474 -9.632 1.00 32.54 N ATOM 420 CA VAL A 27 9.375 2.247 -9.385 1.00 12.21 C ATOM 421 C VAL A 27 8.794 3.362 -8.520 1.00 64.22 C ATOM 422 O VAL A 27 7.584 3.567 -8.503 1.00 1.13 O ATOM 423 CB VAL A 27 9.101 0.875 -8.732 1.00 42.53 C ATOM 424 CG1 VAL A 27 9.513 -0.252 -9.666 1.00 1.12 C ATOM 425 CG2 VAL A 27 9.815 0.749 -7.396 1.00 3.33 C ATOM 0 H VAL A 27 11.417 1.920 -9.048 1.00 32.54 H new ATOM 0 HA VAL A 27 8.883 2.249 -10.358 1.00 12.21 H new ATOM 0 HB VAL A 27 8.029 0.800 -8.547 1.00 42.53 H new ATOM 0 HG11 VAL A 27 9.313 -1.211 -9.189 1.00 1.12 H new ATOM 0 HG12 VAL A 27 8.945 -0.182 -10.593 1.00 1.12 H new ATOM 0 HG13 VAL A 27 10.578 -0.171 -9.886 1.00 1.12 H new ATOM 0 HG21 VAL A 27 9.603 -0.228 -6.961 1.00 3.33 H new ATOM 0 HG22 VAL A 27 10.889 0.854 -7.546 1.00 3.33 H new ATOM 0 HG23 VAL A 27 9.465 1.531 -6.721 1.00 3.33 H new ATOM 435 N ARG A 28 9.665 4.085 -7.808 1.00 0.43 N ATOM 436 CA ARG A 28 9.252 5.284 -7.072 1.00 51.30 C ATOM 437 C ARG A 28 8.497 6.233 -8.007 1.00 74.45 C ATOM 438 O ARG A 28 7.463 6.797 -7.642 1.00 23.55 O ATOM 439 CB ARG A 28 10.490 5.975 -6.473 1.00 14.52 C ATOM 440 CG ARG A 28 10.203 7.148 -5.539 1.00 64.05 C ATOM 441 CD ARG A 28 9.811 8.411 -6.294 1.00 2.32 C ATOM 442 NE ARG A 28 10.824 8.804 -7.275 1.00 72.54 N ATOM 443 CZ ARG A 28 10.582 9.591 -8.325 1.00 63.21 C ATOM 444 NH1 ARG A 28 9.368 10.087 -8.525 1.00 70.53 N ATOM 445 NH2 ARG A 28 11.564 9.892 -9.165 1.00 43.13 N ATOM 0 H ARG A 28 10.657 3.862 -7.726 1.00 0.43 H new ATOM 0 HA ARG A 28 8.585 5.002 -6.258 1.00 51.30 H new ATOM 0 HB2 ARG A 28 11.070 5.232 -5.926 1.00 14.52 H new ATOM 0 HB3 ARG A 28 11.117 6.330 -7.291 1.00 14.52 H new ATOM 0 HG2 ARG A 28 9.401 6.875 -4.853 1.00 64.05 H new ATOM 0 HG3 ARG A 28 11.086 7.350 -4.933 1.00 64.05 H new ATOM 0 HD2 ARG A 28 8.860 8.249 -6.801 1.00 2.32 H new ATOM 0 HD3 ARG A 28 9.659 9.224 -5.584 1.00 2.32 H new ATOM 0 HE ARG A 28 11.774 8.455 -7.148 1.00 72.54 H new ATOM 0 HH11 ARG A 28 8.614 9.867 -7.874 1.00 70.53 H new ATOM 0 HH12 ARG A 28 9.189 10.688 -9.329 1.00 70.53 H new ATOM 0 HH21 ARG A 28 12.501 9.522 -9.007 1.00 43.13 H new ATOM 0 HH22 ARG A 28 11.382 10.493 -9.968 1.00 43.13 H new ATOM 459 N ARG A 29 9.031 6.391 -9.213 1.00 64.34 N ATOM 460 CA ARG A 29 8.414 7.223 -10.241 1.00 33.40 C ATOM 461 C ARG A 29 7.014 6.715 -10.567 1.00 24.51 C ATOM 462 O ARG A 29 6.055 7.483 -10.613 1.00 53.23 O ATOM 463 CB ARG A 29 9.290 7.207 -11.497 1.00 43.24 C ATOM 464 CG ARG A 29 8.680 7.913 -12.694 1.00 4.32 C ATOM 465 CD ARG A 29 9.548 7.741 -13.928 1.00 10.54 C ATOM 466 NE ARG A 29 9.775 6.328 -14.243 1.00 33.13 N ATOM 467 CZ ARG A 29 10.726 5.883 -15.063 1.00 5.44 C ATOM 468 NH1 ARG A 29 11.530 6.736 -15.682 1.00 4.15 N ATOM 469 NH2 ARG A 29 10.870 4.579 -15.268 1.00 63.12 N ATOM 0 H ARG A 29 9.902 5.947 -9.506 1.00 64.34 H new ATOM 0 HA ARG A 29 8.328 8.245 -9.872 1.00 33.40 H new ATOM 0 HB2 ARG A 29 10.247 7.674 -11.264 1.00 43.24 H new ATOM 0 HB3 ARG A 29 9.498 6.172 -11.768 1.00 43.24 H new ATOM 0 HG2 ARG A 29 7.684 7.514 -12.887 1.00 4.32 H new ATOM 0 HG3 ARG A 29 8.561 8.974 -12.473 1.00 4.32 H new ATOM 0 HD2 ARG A 29 9.072 8.231 -14.778 1.00 10.54 H new ATOM 0 HD3 ARG A 29 10.506 8.236 -13.770 1.00 10.54 H new ATOM 0 HE ARG A 29 9.164 5.639 -13.805 1.00 33.13 H new ATOM 0 HH11 ARG A 29 11.422 7.739 -15.532 1.00 4.15 H new ATOM 0 HH12 ARG A 29 12.256 6.389 -16.309 1.00 4.15 H new ATOM 0 HH21 ARG A 29 10.252 3.918 -14.798 1.00 63.12 H new ATOM 0 HH22 ARG A 29 11.598 4.239 -15.896 1.00 63.12 H new ATOM 483 N LYS A 30 6.920 5.408 -10.767 1.00 2.35 N ATOM 484 CA LYS A 30 5.661 4.742 -11.083 1.00 71.45 C ATOM 485 C LYS A 30 4.616 5.003 -10.000 1.00 32.25 C ATOM 486 O LYS A 30 3.473 5.346 -10.291 1.00 12.22 O ATOM 487 CB LYS A 30 5.918 3.243 -11.206 1.00 45.45 C ATOM 488 CG LYS A 30 4.725 2.428 -11.669 1.00 0.15 C ATOM 489 CD LYS A 30 5.068 0.951 -11.667 1.00 24.22 C ATOM 490 CE LYS A 30 3.928 0.097 -12.189 1.00 33.30 C ATOM 491 NZ LYS A 30 4.255 -1.349 -12.101 1.00 65.40 N ATOM 0 H LYS A 30 7.718 4.775 -10.715 1.00 2.35 H new ATOM 0 HA LYS A 30 5.275 5.137 -12.023 1.00 71.45 H new ATOM 0 HB2 LYS A 30 6.740 3.086 -11.904 1.00 45.45 H new ATOM 0 HB3 LYS A 30 6.245 2.864 -10.238 1.00 45.45 H new ATOM 0 HG2 LYS A 30 3.873 2.612 -11.014 1.00 0.15 H new ATOM 0 HG3 LYS A 30 4.430 2.739 -12.671 1.00 0.15 H new ATOM 0 HD2 LYS A 30 5.954 0.785 -12.280 1.00 24.22 H new ATOM 0 HD3 LYS A 30 5.318 0.639 -10.653 1.00 24.22 H new ATOM 0 HE2 LYS A 30 3.024 0.303 -11.616 1.00 33.30 H new ATOM 0 HE3 LYS A 30 3.717 0.362 -13.225 1.00 33.30 H new ATOM 0 HZ1 LYS A 30 3.809 -1.855 -12.893 1.00 65.40 H new ATOM 0 HZ2 LYS A 30 5.286 -1.475 -12.146 1.00 65.40 H new ATOM 0 HZ3 LYS A 30 3.899 -1.731 -11.202 1.00 65.40 H new ATOM 505 N ILE A 31 5.032 4.837 -8.751 1.00 31.44 N ATOM 506 CA ILE A 31 4.159 5.047 -7.597 1.00 2.04 C ATOM 507 C ILE A 31 3.596 6.470 -7.574 1.00 34.34 C ATOM 508 O ILE A 31 2.401 6.674 -7.354 1.00 13.20 O ATOM 509 CB ILE A 31 4.924 4.777 -6.280 1.00 11.14 C ATOM 510 CG1 ILE A 31 5.481 3.351 -6.275 1.00 31.35 C ATOM 511 CG2 ILE A 31 4.021 4.998 -5.075 1.00 32.14 C ATOM 512 CD1 ILE A 31 6.427 3.073 -5.128 1.00 4.52 C ATOM 0 H ILE A 31 5.981 4.554 -8.507 1.00 31.44 H new ATOM 0 HA ILE A 31 3.329 4.346 -7.686 1.00 2.04 H new ATOM 0 HB ILE A 31 5.755 5.479 -6.215 1.00 11.14 H new ATOM 0 HG12 ILE A 31 4.651 2.646 -6.229 1.00 31.35 H new ATOM 0 HG13 ILE A 31 6.001 3.170 -7.216 1.00 31.35 H new ATOM 0 HG21 ILE A 31 4.581 4.802 -4.160 1.00 32.14 H new ATOM 0 HG22 ILE A 31 3.667 6.029 -5.070 1.00 32.14 H new ATOM 0 HG23 ILE A 31 3.168 4.321 -5.130 1.00 32.14 H new ATOM 0 HD11 ILE A 31 6.781 2.044 -5.190 1.00 4.52 H new ATOM 0 HD12 ILE A 31 7.277 3.753 -5.184 1.00 4.52 H new ATOM 0 HD13 ILE A 31 5.906 3.221 -4.182 1.00 4.52 H new ATOM 524 N MET A 32 4.456 7.451 -7.824 1.00 1.34 N ATOM 525 CA MET A 32 4.037 8.848 -7.809 1.00 32.03 C ATOM 526 C MET A 32 3.164 9.174 -9.015 1.00 14.21 C ATOM 527 O MET A 32 2.299 10.050 -8.947 1.00 44.23 O ATOM 528 CB MET A 32 5.249 9.777 -7.742 1.00 3.21 C ATOM 529 CG MET A 32 5.902 9.796 -6.370 1.00 34.44 C ATOM 530 SD MET A 32 7.306 10.922 -6.271 1.00 75.24 S ATOM 531 CE MET A 32 7.641 10.872 -4.511 1.00 75.44 C ATOM 0 H MET A 32 5.443 7.306 -8.038 1.00 1.34 H new ATOM 0 HA MET A 32 3.437 9.009 -6.913 1.00 32.03 H new ATOM 0 HB2 MET A 32 5.983 9.463 -8.484 1.00 3.21 H new ATOM 0 HB3 MET A 32 4.941 10.788 -8.007 1.00 3.21 H new ATOM 0 HG2 MET A 32 5.160 10.083 -5.625 1.00 34.44 H new ATOM 0 HG3 MET A 32 6.233 8.789 -6.118 1.00 34.44 H new ATOM 0 HE1 MET A 32 8.416 11.599 -4.267 1.00 75.44 H new ATOM 0 HE2 MET A 32 6.732 11.113 -3.961 1.00 75.44 H new ATOM 0 HE3 MET A 32 7.980 9.874 -4.233 1.00 75.44 H new ATOM 541 N ASP A 33 3.381 8.460 -10.112 1.00 41.02 N ATOM 542 CA ASP A 33 2.533 8.594 -11.295 1.00 71.31 C ATOM 543 C ASP A 33 1.133 8.075 -10.994 1.00 10.22 C ATOM 544 O ASP A 33 0.139 8.580 -11.516 1.00 11.12 O ATOM 545 CB ASP A 33 3.131 7.832 -12.481 1.00 42.51 C ATOM 546 CG ASP A 33 2.235 7.858 -13.704 1.00 55.33 C ATOM 547 OD1 ASP A 33 2.059 8.947 -14.296 1.00 75.14 O ATOM 548 OD2 ASP A 33 1.723 6.788 -14.100 1.00 1.13 O ATOM 0 H ASP A 33 4.136 7.782 -10.210 1.00 41.02 H new ATOM 0 HA ASP A 33 2.475 9.650 -11.559 1.00 71.31 H new ATOM 0 HB2 ASP A 33 4.099 8.265 -12.735 1.00 42.51 H new ATOM 0 HB3 ASP A 33 3.311 6.797 -12.189 1.00 42.51 H new ATOM 553 N MET A 34 1.070 7.076 -10.123 1.00 74.22 N ATOM 554 CA MET A 34 -0.196 6.486 -9.703 1.00 40.33 C ATOM 555 C MET A 34 -0.950 7.420 -8.756 1.00 23.41 C ATOM 556 O MET A 34 -2.111 7.175 -8.426 1.00 10.14 O ATOM 557 CB MET A 34 0.051 5.134 -9.024 1.00 72.02 C ATOM 558 CG MET A 34 0.595 4.070 -9.965 1.00 20.51 C ATOM 559 SD MET A 34 -0.513 3.736 -11.355 1.00 21.12 S ATOM 560 CE MET A 34 -1.947 3.083 -10.500 1.00 12.24 C ATOM 0 H MET A 34 1.891 6.653 -9.689 1.00 74.22 H new ATOM 0 HA MET A 34 -0.810 6.333 -10.590 1.00 40.33 H new ATOM 0 HB2 MET A 34 0.753 5.273 -8.202 1.00 72.02 H new ATOM 0 HB3 MET A 34 -0.883 4.779 -8.589 1.00 72.02 H new ATOM 0 HG2 MET A 34 1.564 4.390 -10.347 1.00 20.51 H new ATOM 0 HG3 MET A 34 0.760 3.148 -9.408 1.00 20.51 H new ATOM 0 HE1 MET A 34 -2.586 2.558 -11.210 1.00 12.24 H new ATOM 0 HE2 MET A 34 -1.623 2.391 -9.722 1.00 12.24 H new ATOM 0 HE3 MET A 34 -2.505 3.903 -10.047 1.00 12.24 H new ATOM 570 N GLY A 35 -0.284 8.485 -8.325 1.00 13.11 N ATOM 571 CA GLY A 35 -0.927 9.468 -7.473 1.00 54.11 C ATOM 572 C GLY A 35 -0.510 9.340 -6.024 1.00 50.34 C ATOM 573 O GLY A 35 -0.908 10.143 -5.179 1.00 50.44 O ATOM 0 H GLY A 35 0.690 8.686 -8.550 1.00 13.11 H new ATOM 0 HA2 GLY A 35 -0.684 10.469 -7.831 1.00 54.11 H new ATOM 0 HA3 GLY A 35 -2.009 9.357 -7.548 1.00 54.11 H new ATOM 577 N ILE A 36 0.303 8.333 -5.740 1.00 1.41 N ATOM 578 CA ILE A 36 0.751 8.075 -4.383 1.00 1.43 C ATOM 579 C ILE A 36 2.013 8.867 -4.082 1.00 5.52 C ATOM 580 O ILE A 36 2.979 8.829 -4.842 1.00 64.35 O ATOM 581 CB ILE A 36 1.031 6.578 -4.156 1.00 23.14 C ATOM 582 CG1 ILE A 36 -0.188 5.745 -4.552 1.00 32.24 C ATOM 583 CG2 ILE A 36 1.404 6.313 -2.703 1.00 65.11 C ATOM 584 CD1 ILE A 36 0.061 4.252 -4.539 1.00 11.42 C ATOM 0 H ILE A 36 0.666 7.680 -6.435 1.00 1.41 H new ATOM 0 HA ILE A 36 -0.050 8.386 -3.712 1.00 1.43 H new ATOM 0 HB ILE A 36 1.873 6.287 -4.784 1.00 23.14 H new ATOM 0 HG12 ILE A 36 -1.009 5.973 -3.872 1.00 32.24 H new ATOM 0 HG13 ILE A 36 -0.510 6.041 -5.550 1.00 32.24 H new ATOM 0 HG21 ILE A 36 1.598 5.249 -2.565 1.00 65.11 H new ATOM 0 HG22 ILE A 36 2.299 6.881 -2.448 1.00 65.11 H new ATOM 0 HG23 ILE A 36 0.583 6.619 -2.055 1.00 65.11 H new ATOM 0 HD11 ILE A 36 -0.850 3.729 -4.831 1.00 11.42 H new ATOM 0 HD12 ILE A 36 0.859 4.010 -5.241 1.00 11.42 H new ATOM 0 HD13 ILE A 36 0.353 3.941 -3.536 1.00 11.42 H new ATOM 596 N VAL A 37 1.997 9.573 -2.966 1.00 41.55 N ATOM 597 CA VAL A 37 3.127 10.404 -2.565 1.00 23.21 C ATOM 598 C VAL A 37 3.316 10.396 -1.047 1.00 62.51 C ATOM 599 O VAL A 37 4.212 9.736 -0.528 1.00 54.21 O ATOM 600 CB VAL A 37 2.987 11.863 -3.070 1.00 75.24 C ATOM 601 CG1 VAL A 37 3.475 11.981 -4.507 1.00 44.24 C ATOM 602 CG2 VAL A 37 1.543 12.346 -2.965 1.00 71.12 C ATOM 0 H VAL A 37 1.211 9.590 -2.316 1.00 41.55 H new ATOM 0 HA VAL A 37 4.010 9.968 -3.032 1.00 23.21 H new ATOM 0 HB VAL A 37 3.606 12.496 -2.434 1.00 75.24 H new ATOM 0 HG11 VAL A 37 3.369 13.012 -4.844 1.00 44.24 H new ATOM 0 HG12 VAL A 37 4.524 11.688 -4.560 1.00 44.24 H new ATOM 0 HG13 VAL A 37 2.883 11.327 -5.147 1.00 44.24 H new ATOM 0 HG21 VAL A 37 1.475 13.372 -3.326 1.00 71.12 H new ATOM 0 HG22 VAL A 37 0.900 11.706 -3.569 1.00 71.12 H new ATOM 0 HG23 VAL A 37 1.221 12.306 -1.925 1.00 71.12 H new ATOM 612 N ARG A 38 2.463 11.123 -0.344 1.00 71.15 N ATOM 613 CA ARG A 38 2.521 11.195 1.107 1.00 51.13 C ATOM 614 C ARG A 38 1.126 11.446 1.662 1.00 64.34 C ATOM 615 O ARG A 38 0.350 12.199 1.072 1.00 21.03 O ATOM 616 CB ARG A 38 3.475 12.309 1.554 1.00 45.11 C ATOM 617 CG ARG A 38 3.400 12.607 3.041 1.00 62.42 C ATOM 618 CD ARG A 38 4.300 13.763 3.441 1.00 21.05 C ATOM 619 NE ARG A 38 3.930 14.292 4.753 1.00 61.35 N ATOM 620 CZ ARG A 38 4.791 14.759 5.653 1.00 73.11 C ATOM 621 NH1 ARG A 38 6.095 14.768 5.404 1.00 21.11 N ATOM 622 NH2 ARG A 38 4.342 15.224 6.814 1.00 63.31 N ATOM 0 H ARG A 38 1.715 11.677 -0.760 1.00 71.15 H new ATOM 0 HA ARG A 38 2.897 10.247 1.492 1.00 51.13 H new ATOM 0 HB2 ARG A 38 4.496 12.027 1.299 1.00 45.11 H new ATOM 0 HB3 ARG A 38 3.247 13.218 0.997 1.00 45.11 H new ATOM 0 HG2 ARG A 38 2.370 12.840 3.311 1.00 62.42 H new ATOM 0 HG3 ARG A 38 3.683 11.717 3.603 1.00 62.42 H new ATOM 0 HD2 ARG A 38 5.338 13.430 3.460 1.00 21.05 H new ATOM 0 HD3 ARG A 38 4.233 14.555 2.695 1.00 21.05 H new ATOM 0 HE ARG A 38 2.939 14.304 4.996 1.00 61.35 H new ATOM 0 HH11 ARG A 38 6.447 14.414 4.514 1.00 21.11 H new ATOM 0 HH12 ARG A 38 6.745 15.129 6.102 1.00 21.11 H new ATOM 0 HH21 ARG A 38 3.341 15.222 7.012 1.00 63.31 H new ATOM 0 HH22 ARG A 38 4.998 15.583 7.508 1.00 63.31 H new ATOM 636 N GLY A 39 0.797 10.789 2.769 1.00 54.30 N ATOM 637 CA GLY A 39 -0.497 10.992 3.397 1.00 12.30 C ATOM 638 C GLY A 39 -1.633 10.477 2.540 1.00 52.34 C ATOM 639 O GLY A 39 -2.789 10.866 2.713 1.00 1.12 O ATOM 0 H GLY A 39 1.403 10.119 3.243 1.00 54.30 H new ATOM 0 HA2 GLY A 39 -0.514 10.487 4.363 1.00 12.30 H new ATOM 0 HA3 GLY A 39 -0.643 12.055 3.591 1.00 12.30 H new ATOM 643 N THR A 40 -1.294 9.606 1.606 1.00 51.25 N ATOM 644 CA THR A 40 -2.271 9.037 0.703 1.00 52.33 C ATOM 645 C THR A 40 -2.932 7.823 1.349 1.00 62.34 C ATOM 646 O THR A 40 -2.299 7.109 2.129 1.00 41.13 O ATOM 647 CB THR A 40 -1.602 8.631 -0.622 1.00 60.31 C ATOM 648 OG1 THR A 40 -0.556 9.565 -0.936 1.00 31.42 O ATOM 649 CG2 THR A 40 -2.608 8.608 -1.761 1.00 32.54 C ATOM 0 H THR A 40 -0.340 9.277 1.455 1.00 51.25 H new ATOM 0 HA THR A 40 -3.033 9.787 0.493 1.00 52.33 H new ATOM 0 HB THR A 40 -1.191 7.629 -0.503 1.00 60.31 H new ATOM 0 HG1 THR A 40 -0.747 9.992 -1.797 1.00 31.42 H new ATOM 0 HG21 THR A 40 -2.106 8.318 -2.684 1.00 32.54 H new ATOM 0 HG22 THR A 40 -3.397 7.890 -1.536 1.00 32.54 H new ATOM 0 HG23 THR A 40 -3.044 9.600 -1.881 1.00 32.54 H new ATOM 657 N GLU A 41 -4.202 7.607 1.045 1.00 4.42 N ATOM 658 CA GLU A 41 -4.947 6.505 1.620 1.00 64.12 C ATOM 659 C GLU A 41 -4.849 5.270 0.751 1.00 41.14 C ATOM 660 O GLU A 41 -5.120 5.319 -0.450 1.00 74.14 O ATOM 661 CB GLU A 41 -6.410 6.886 1.794 1.00 65.21 C ATOM 662 CG GLU A 41 -6.634 8.028 2.764 1.00 3.31 C ATOM 663 CD GLU A 41 -8.102 8.304 2.998 1.00 34.43 C ATOM 664 OE1 GLU A 41 -8.730 7.570 3.792 1.00 14.30 O ATOM 665 OE2 GLU A 41 -8.641 9.255 2.393 1.00 2.41 O ATOM 0 H GLU A 41 -4.739 8.186 0.399 1.00 4.42 H new ATOM 0 HA GLU A 41 -4.512 6.284 2.595 1.00 64.12 H new ATOM 0 HB2 GLU A 41 -6.822 7.160 0.823 1.00 65.21 H new ATOM 0 HB3 GLU A 41 -6.964 6.014 2.140 1.00 65.21 H new ATOM 0 HG2 GLU A 41 -6.155 7.793 3.715 1.00 3.31 H new ATOM 0 HG3 GLU A 41 -6.154 8.928 2.379 1.00 3.31 H new ATOM 672 N ILE A 42 -4.466 4.171 1.370 1.00 75.25 N ATOM 673 CA ILE A 42 -4.376 2.894 0.694 1.00 34.51 C ATOM 674 C ILE A 42 -5.187 1.853 1.457 1.00 33.54 C ATOM 675 O ILE A 42 -4.880 1.533 2.606 1.00 35.35 O ATOM 676 CB ILE A 42 -2.906 2.434 0.579 1.00 42.51 C ATOM 677 CG1 ILE A 42 -2.114 3.370 -0.339 1.00 32.31 C ATOM 678 CG2 ILE A 42 -2.818 0.996 0.083 1.00 72.33 C ATOM 679 CD1 ILE A 42 -2.626 3.412 -1.764 1.00 20.45 C ATOM 0 H ILE A 42 -4.208 4.139 2.356 1.00 75.25 H new ATOM 0 HA ILE A 42 -4.779 3.005 -0.313 1.00 34.51 H new ATOM 0 HB ILE A 42 -2.465 2.475 1.575 1.00 42.51 H new ATOM 0 HG12 ILE A 42 -2.141 4.378 0.076 1.00 32.31 H new ATOM 0 HG13 ILE A 42 -1.070 3.056 -0.348 1.00 32.31 H new ATOM 0 HG21 ILE A 42 -1.772 0.699 0.012 1.00 72.33 H new ATOM 0 HG22 ILE A 42 -3.335 0.338 0.781 1.00 72.33 H new ATOM 0 HG23 ILE A 42 -3.284 0.921 -0.899 1.00 72.33 H new ATOM 0 HD11 ILE A 42 -2.013 4.097 -2.351 1.00 20.45 H new ATOM 0 HD12 ILE A 42 -2.573 2.414 -2.199 1.00 20.45 H new ATOM 0 HD13 ILE A 42 -3.660 3.756 -1.769 1.00 20.45 H new ATOM 691 N TYR A 43 -6.240 1.354 0.832 1.00 75.12 N ATOM 692 CA TYR A 43 -7.069 0.333 1.450 1.00 65.02 C ATOM 693 C TYR A 43 -6.803 -1.007 0.788 1.00 64.31 C ATOM 694 O TYR A 43 -7.001 -1.162 -0.416 1.00 72.44 O ATOM 695 CB TYR A 43 -8.552 0.702 1.329 1.00 21.42 C ATOM 696 CG TYR A 43 -9.471 -0.154 2.179 1.00 54.53 C ATOM 697 CD1 TYR A 43 -9.975 -1.361 1.706 1.00 32.23 C ATOM 698 CD2 TYR A 43 -9.839 0.253 3.454 1.00 60.50 C ATOM 699 CE1 TYR A 43 -10.816 -2.138 2.482 1.00 23.20 C ATOM 700 CE2 TYR A 43 -10.682 -0.515 4.235 1.00 14.34 C ATOM 701 CZ TYR A 43 -11.168 -1.707 3.746 1.00 14.30 C ATOM 702 OH TYR A 43 -12.017 -2.467 4.523 1.00 71.45 O ATOM 0 H TYR A 43 -6.541 1.638 -0.100 1.00 75.12 H new ATOM 0 HA TYR A 43 -6.819 0.265 2.509 1.00 65.02 H new ATOM 0 HB2 TYR A 43 -8.680 1.747 1.612 1.00 21.42 H new ATOM 0 HB3 TYR A 43 -8.854 0.615 0.285 1.00 21.42 H new ATOM 0 HD1 TYR A 43 -9.705 -1.697 0.716 1.00 32.23 H new ATOM 0 HD2 TYR A 43 -9.460 1.187 3.843 1.00 60.50 H new ATOM 0 HE1 TYR A 43 -11.195 -3.075 2.102 1.00 23.20 H new ATOM 0 HE2 TYR A 43 -10.958 -0.182 5.224 1.00 14.34 H new ATOM 0 HH TYR A 43 -12.161 -2.020 5.383 1.00 71.45 H new ATOM 712 N ILE A 44 -6.341 -1.965 1.571 1.00 74.22 N ATOM 713 CA ILE A 44 -6.013 -3.282 1.048 1.00 23.30 C ATOM 714 C ILE A 44 -7.274 -4.126 0.933 1.00 72.51 C ATOM 715 O ILE A 44 -7.747 -4.673 1.926 1.00 5.22 O ATOM 716 CB ILE A 44 -5.010 -4.021 1.961 1.00 53.11 C ATOM 717 CG1 ILE A 44 -3.884 -3.085 2.423 1.00 43.43 C ATOM 718 CG2 ILE A 44 -4.432 -5.234 1.237 1.00 73.35 C ATOM 719 CD1 ILE A 44 -3.022 -2.550 1.302 1.00 0.45 C ATOM 0 H ILE A 44 -6.184 -1.857 2.573 1.00 74.22 H new ATOM 0 HA ILE A 44 -5.559 -3.139 0.067 1.00 23.30 H new ATOM 0 HB ILE A 44 -5.546 -4.361 2.847 1.00 53.11 H new ATOM 0 HG12 ILE A 44 -4.323 -2.245 2.961 1.00 43.43 H new ATOM 0 HG13 ILE A 44 -3.250 -3.620 3.130 1.00 43.43 H new ATOM 0 HG21 ILE A 44 -3.726 -5.746 1.891 1.00 73.35 H new ATOM 0 HG22 ILE A 44 -5.239 -5.916 0.969 1.00 73.35 H new ATOM 0 HG23 ILE A 44 -3.917 -4.907 0.333 1.00 73.35 H new ATOM 0 HD11 ILE A 44 -2.252 -1.898 1.715 1.00 0.45 H new ATOM 0 HD12 ILE A 44 -2.551 -3.381 0.777 1.00 0.45 H new ATOM 0 HD13 ILE A 44 -3.641 -1.985 0.605 1.00 0.45 H new ATOM 731 N GLU A 45 -7.839 -4.217 -0.263 1.00 61.15 N ATOM 732 CA GLU A 45 -9.024 -5.033 -0.449 1.00 21.34 C ATOM 733 C GLU A 45 -8.637 -6.491 -0.648 1.00 1.35 C ATOM 734 O GLU A 45 -9.441 -7.392 -0.425 1.00 72.45 O ATOM 735 CB GLU A 45 -9.871 -4.541 -1.625 1.00 71.13 C ATOM 736 CG GLU A 45 -9.215 -4.695 -2.986 1.00 34.44 C ATOM 737 CD GLU A 45 -10.204 -4.533 -4.126 1.00 73.42 C ATOM 738 OE1 GLU A 45 -11.276 -3.924 -3.909 1.00 32.21 O ATOM 739 OE2 GLU A 45 -9.923 -5.018 -5.242 1.00 31.02 O ATOM 0 H GLU A 45 -7.502 -3.745 -1.102 1.00 61.15 H new ATOM 0 HA GLU A 45 -9.630 -4.946 0.453 1.00 21.34 H new ATOM 0 HB2 GLU A 45 -10.815 -5.085 -1.628 1.00 71.13 H new ATOM 0 HB3 GLU A 45 -10.110 -3.489 -1.469 1.00 71.13 H new ATOM 0 HG2 GLU A 45 -8.421 -3.955 -3.089 1.00 34.44 H new ATOM 0 HG3 GLU A 45 -8.747 -5.677 -3.052 1.00 34.44 H new ATOM 746 N GLY A 46 -7.405 -6.713 -1.078 1.00 1.41 N ATOM 747 CA GLY A 46 -6.907 -8.059 -1.232 1.00 31.24 C ATOM 748 C GLY A 46 -5.765 -8.134 -2.217 1.00 74.33 C ATOM 749 O GLY A 46 -5.278 -7.108 -2.694 1.00 2.54 O ATOM 0 H GLY A 46 -6.740 -5.980 -1.324 1.00 1.41 H new ATOM 0 HA2 GLY A 46 -6.575 -8.435 -0.264 1.00 31.24 H new ATOM 0 HA3 GLY A 46 -7.716 -8.708 -1.566 1.00 31.24 H new ATOM 753 N LYS A 47 -5.332 -9.345 -2.511 1.00 15.54 N ATOM 754 CA LYS A 47 -4.268 -9.572 -3.470 1.00 11.42 C ATOM 755 C LYS A 47 -4.735 -10.570 -4.517 1.00 53.32 C ATOM 756 O LYS A 47 -5.697 -11.307 -4.290 1.00 34.21 O ATOM 757 CB LYS A 47 -3.021 -10.111 -2.764 1.00 51.34 C ATOM 758 CG LYS A 47 -2.500 -9.198 -1.664 1.00 12.13 C ATOM 759 CD LYS A 47 -1.390 -9.861 -0.862 1.00 2.34 C ATOM 760 CE LYS A 47 -0.196 -10.213 -1.734 1.00 35.23 C ATOM 761 NZ LYS A 47 0.854 -10.930 -0.964 1.00 1.34 N ATOM 0 H LYS A 47 -5.707 -10.197 -2.093 1.00 15.54 H new ATOM 0 HA LYS A 47 -4.017 -8.627 -3.951 1.00 11.42 H new ATOM 0 HB2 LYS A 47 -3.250 -11.087 -2.336 1.00 51.34 H new ATOM 0 HB3 LYS A 47 -2.233 -10.263 -3.502 1.00 51.34 H new ATOM 0 HG2 LYS A 47 -2.128 -8.273 -2.104 1.00 12.13 H new ATOM 0 HG3 LYS A 47 -3.319 -8.927 -0.997 1.00 12.13 H new ATOM 0 HD2 LYS A 47 -1.071 -9.193 -0.062 1.00 2.34 H new ATOM 0 HD3 LYS A 47 -1.774 -10.765 -0.389 1.00 2.34 H new ATOM 0 HE2 LYS A 47 -0.524 -10.834 -2.567 1.00 35.23 H new ATOM 0 HE3 LYS A 47 0.224 -9.302 -2.161 1.00 35.23 H new ATOM 0 HZ1 LYS A 47 1.653 -11.154 -1.591 1.00 1.34 H new ATOM 0 HZ2 LYS A 47 1.185 -10.327 -0.184 1.00 1.34 H new ATOM 0 HZ3 LYS A 47 0.460 -11.811 -0.577 1.00 1.34 H new ATOM 775 N ALA A 48 -4.067 -10.587 -5.662 1.00 1.42 N ATOM 776 CA ALA A 48 -4.363 -11.566 -6.692 1.00 22.45 C ATOM 777 C ALA A 48 -4.024 -12.963 -6.186 1.00 44.51 C ATOM 778 O ALA A 48 -3.142 -13.114 -5.342 1.00 51.44 O ATOM 779 CB ALA A 48 -3.589 -11.247 -7.962 1.00 31.52 C ATOM 0 H ALA A 48 -3.319 -9.935 -5.898 1.00 1.42 H new ATOM 0 HA ALA A 48 -5.427 -11.529 -6.927 1.00 22.45 H new ATOM 0 HB1 ALA A 48 -3.821 -11.989 -8.726 1.00 31.52 H new ATOM 0 HB2 ALA A 48 -3.871 -10.257 -8.321 1.00 31.52 H new ATOM 0 HB3 ALA A 48 -2.520 -11.265 -7.751 1.00 31.52 H new ATOM 785 N PRO A 49 -4.722 -13.997 -6.680 1.00 51.24 N ATOM 786 CA PRO A 49 -4.508 -15.384 -6.249 1.00 20.31 C ATOM 787 C PRO A 49 -3.039 -15.816 -6.311 1.00 24.33 C ATOM 788 O PRO A 49 -2.594 -16.644 -5.517 1.00 61.43 O ATOM 789 CB PRO A 49 -5.351 -16.212 -7.231 1.00 42.32 C ATOM 790 CG PRO A 49 -5.772 -15.266 -8.307 1.00 1.51 C ATOM 791 CD PRO A 49 -5.791 -13.903 -7.682 1.00 20.21 C ATOM 0 HA PRO A 49 -4.791 -15.517 -5.205 1.00 20.31 H new ATOM 0 HB2 PRO A 49 -4.772 -17.039 -7.642 1.00 42.32 H new ATOM 0 HB3 PRO A 49 -6.217 -16.647 -6.732 1.00 42.32 H new ATOM 0 HG2 PRO A 49 -5.079 -15.299 -9.148 1.00 1.51 H new ATOM 0 HG3 PRO A 49 -6.756 -15.530 -8.695 1.00 1.51 H new ATOM 0 HD2 PRO A 49 -5.594 -13.119 -8.413 1.00 20.21 H new ATOM 0 HD3 PRO A 49 -6.756 -13.679 -7.226 1.00 20.21 H new ATOM 799 N MET A 50 -2.289 -15.250 -7.250 1.00 1.45 N ATOM 800 CA MET A 50 -0.867 -15.557 -7.396 1.00 41.34 C ATOM 801 C MET A 50 -0.035 -14.859 -6.315 1.00 4.12 C ATOM 802 O MET A 50 1.088 -15.267 -6.013 1.00 34.23 O ATOM 803 CB MET A 50 -0.387 -15.131 -8.789 1.00 53.42 C ATOM 804 CG MET A 50 1.097 -15.354 -9.032 1.00 43.45 C ATOM 805 SD MET A 50 1.580 -17.079 -8.858 1.00 32.34 S ATOM 806 CE MET A 50 3.347 -16.943 -9.105 1.00 65.01 C ATOM 0 H MET A 50 -2.642 -14.573 -7.926 1.00 1.45 H new ATOM 0 HA MET A 50 -0.734 -16.632 -7.279 1.00 41.34 H new ATOM 0 HB2 MET A 50 -0.953 -15.681 -9.540 1.00 53.42 H new ATOM 0 HB3 MET A 50 -0.612 -14.074 -8.931 1.00 53.42 H new ATOM 0 HG2 MET A 50 1.352 -15.009 -10.034 1.00 43.45 H new ATOM 0 HG3 MET A 50 1.671 -14.748 -8.331 1.00 43.45 H new ATOM 0 HE1 MET A 50 3.802 -17.930 -9.028 1.00 65.01 H new ATOM 0 HE2 MET A 50 3.545 -16.528 -10.093 1.00 65.01 H new ATOM 0 HE3 MET A 50 3.771 -16.288 -8.344 1.00 65.01 H new ATOM 816 N GLY A 51 -0.602 -13.823 -5.717 1.00 30.13 N ATOM 817 CA GLY A 51 0.133 -13.019 -4.760 1.00 22.31 C ATOM 818 C GLY A 51 0.632 -11.739 -5.390 1.00 13.32 C ATOM 819 O GLY A 51 1.152 -10.854 -4.710 1.00 41.34 O ATOM 0 H GLY A 51 -1.563 -13.522 -5.878 1.00 30.13 H new ATOM 0 HA2 GLY A 51 -0.508 -12.783 -3.911 1.00 22.31 H new ATOM 0 HA3 GLY A 51 0.977 -13.590 -4.373 1.00 22.31 H new ATOM 823 N ASP A 52 0.457 -11.654 -6.701 1.00 14.33 N ATOM 824 CA ASP A 52 0.867 -10.495 -7.481 1.00 1.33 C ATOM 825 C ASP A 52 -0.025 -10.386 -8.707 1.00 74.24 C ATOM 826 O ASP A 52 -0.269 -11.383 -9.390 1.00 64.44 O ATOM 827 CB ASP A 52 2.337 -10.625 -7.903 1.00 63.15 C ATOM 828 CG ASP A 52 2.814 -9.483 -8.782 1.00 63.11 C ATOM 829 OD1 ASP A 52 3.025 -8.372 -8.258 1.00 43.02 O ATOM 830 OD2 ASP A 52 3.011 -9.705 -9.998 1.00 21.33 O ATOM 0 H ASP A 52 0.024 -12.392 -7.257 1.00 14.33 H new ATOM 0 HA ASP A 52 0.768 -9.595 -6.874 1.00 1.33 H new ATOM 0 HB2 ASP A 52 2.961 -10.672 -7.010 1.00 63.15 H new ATOM 0 HB3 ASP A 52 2.473 -11.566 -8.437 1.00 63.15 H new ATOM 835 N PRO A 53 -0.548 -9.189 -8.995 1.00 13.23 N ATOM 836 CA PRO A 53 -0.295 -7.985 -8.205 1.00 52.33 C ATOM 837 C PRO A 53 -1.197 -7.879 -6.970 1.00 35.44 C ATOM 838 O PRO A 53 -1.935 -8.808 -6.629 1.00 42.30 O ATOM 839 CB PRO A 53 -0.606 -6.844 -9.191 1.00 53.44 C ATOM 840 CG PRO A 53 -1.035 -7.493 -10.471 1.00 34.03 C ATOM 841 CD PRO A 53 -1.424 -8.899 -10.125 1.00 21.13 C ATOM 0 HA PRO A 53 0.721 -7.971 -7.810 1.00 52.33 H new ATOM 0 HB2 PRO A 53 -1.393 -6.198 -8.801 1.00 53.44 H new ATOM 0 HB3 PRO A 53 0.272 -6.218 -9.349 1.00 53.44 H new ATOM 0 HG2 PRO A 53 -1.873 -6.957 -10.916 1.00 34.03 H new ATOM 0 HG3 PRO A 53 -0.226 -7.483 -11.201 1.00 34.03 H new ATOM 0 HD2 PRO A 53 -2.477 -8.976 -9.855 1.00 21.13 H new ATOM 0 HD3 PRO A 53 -1.258 -9.584 -10.956 1.00 21.13 H new ATOM 849 N ILE A 54 -1.124 -6.739 -6.300 1.00 13.15 N ATOM 850 CA ILE A 54 -1.942 -6.480 -5.124 1.00 23.00 C ATOM 851 C ILE A 54 -3.002 -5.438 -5.466 1.00 73.22 C ATOM 852 O ILE A 54 -2.729 -4.504 -6.217 1.00 20.10 O ATOM 853 CB ILE A 54 -1.077 -5.975 -3.945 1.00 25.32 C ATOM 854 CG1 ILE A 54 0.087 -6.941 -3.686 1.00 13.41 C ATOM 855 CG2 ILE A 54 -1.926 -5.818 -2.689 1.00 12.44 C ATOM 856 CD1 ILE A 54 1.030 -6.481 -2.594 1.00 53.23 C ATOM 0 H ILE A 54 -0.501 -5.972 -6.553 1.00 13.15 H new ATOM 0 HA ILE A 54 -2.419 -7.412 -4.821 1.00 23.00 H new ATOM 0 HB ILE A 54 -0.668 -5.000 -4.209 1.00 25.32 H new ATOM 0 HG12 ILE A 54 -0.316 -7.918 -3.418 1.00 13.41 H new ATOM 0 HG13 ILE A 54 0.651 -7.072 -4.609 1.00 13.41 H new ATOM 0 HG21 ILE A 54 -1.301 -5.462 -1.870 1.00 12.44 H new ATOM 0 HG22 ILE A 54 -2.723 -5.099 -2.876 1.00 12.44 H new ATOM 0 HG23 ILE A 54 -2.361 -6.781 -2.421 1.00 12.44 H new ATOM 0 HD11 ILE A 54 1.826 -7.214 -2.468 1.00 53.23 H new ATOM 0 HD12 ILE A 54 1.463 -5.519 -2.868 1.00 53.23 H new ATOM 0 HD13 ILE A 54 0.481 -6.378 -1.658 1.00 53.23 H new ATOM 868 N ALA A 55 -4.207 -5.600 -4.937 1.00 70.42 N ATOM 869 CA ALA A 55 -5.297 -4.686 -5.246 1.00 23.34 C ATOM 870 C ALA A 55 -5.474 -3.654 -4.140 1.00 32.41 C ATOM 871 O ALA A 55 -5.955 -3.970 -3.047 1.00 62.04 O ATOM 872 CB ALA A 55 -6.588 -5.460 -5.471 1.00 61.42 C ATOM 0 H ALA A 55 -4.454 -6.353 -4.294 1.00 70.42 H new ATOM 0 HA ALA A 55 -5.047 -4.153 -6.164 1.00 23.34 H new ATOM 0 HB1 ALA A 55 -7.394 -4.764 -5.701 1.00 61.42 H new ATOM 0 HB2 ALA A 55 -6.457 -6.152 -6.303 1.00 61.42 H new ATOM 0 HB3 ALA A 55 -6.838 -6.020 -4.570 1.00 61.42 H new ATOM 878 N LEU A 56 -5.059 -2.425 -4.416 1.00 53.35 N ATOM 879 CA LEU A 56 -5.176 -1.341 -3.454 1.00 53.23 C ATOM 880 C LEU A 56 -6.299 -0.402 -3.861 1.00 12.40 C ATOM 881 O LEU A 56 -6.419 -0.039 -5.029 1.00 54.21 O ATOM 882 CB LEU A 56 -3.877 -0.525 -3.362 1.00 23.42 C ATOM 883 CG LEU A 56 -2.570 -1.311 -3.178 1.00 41.34 C ATOM 884 CD1 LEU A 56 -2.726 -2.395 -2.124 1.00 42.32 C ATOM 885 CD2 LEU A 56 -2.091 -1.897 -4.500 1.00 61.23 C ATOM 0 H LEU A 56 -4.636 -2.154 -5.304 1.00 53.35 H new ATOM 0 HA LEU A 56 -5.384 -1.791 -2.483 1.00 53.23 H new ATOM 0 HB2 LEU A 56 -3.788 0.073 -4.269 1.00 23.42 H new ATOM 0 HB3 LEU A 56 -3.973 0.172 -2.529 1.00 23.42 H new ATOM 0 HG LEU A 56 -1.809 -0.613 -2.828 1.00 41.34 H new ATOM 0 HD11 LEU A 56 -1.785 -2.935 -2.015 1.00 42.32 H new ATOM 0 HD12 LEU A 56 -2.995 -1.940 -1.171 1.00 42.32 H new ATOM 0 HD13 LEU A 56 -3.509 -3.089 -2.429 1.00 42.32 H new ATOM 0 HD21 LEU A 56 -1.164 -2.448 -4.339 1.00 61.23 H new ATOM 0 HD22 LEU A 56 -2.850 -2.572 -4.895 1.00 61.23 H new ATOM 0 HD23 LEU A 56 -1.915 -1.091 -5.213 1.00 61.23 H new ATOM 897 N ARG A 57 -7.110 -0.006 -2.904 1.00 53.01 N ATOM 898 CA ARG A 57 -8.153 0.971 -3.152 1.00 64.31 C ATOM 899 C ARG A 57 -7.567 2.369 -2.983 1.00 50.21 C ATOM 900 O ARG A 57 -7.160 2.753 -1.882 1.00 62.35 O ATOM 901 CB ARG A 57 -9.342 0.725 -2.208 1.00 53.43 C ATOM 902 CG ARG A 57 -10.532 1.665 -2.394 1.00 53.13 C ATOM 903 CD ARG A 57 -10.313 2.998 -1.691 1.00 72.40 C ATOM 904 NE ARG A 57 -11.531 3.800 -1.608 1.00 31.33 N ATOM 905 CZ ARG A 57 -11.729 4.735 -0.679 1.00 31.20 C ATOM 906 NH1 ARG A 57 -10.778 4.986 0.217 1.00 41.52 N ATOM 907 NH2 ARG A 57 -12.871 5.413 -0.642 1.00 44.24 N ATOM 0 H ARG A 57 -7.068 -0.346 -1.943 1.00 53.01 H new ATOM 0 HA ARG A 57 -8.529 0.877 -4.171 1.00 64.31 H new ATOM 0 HB2 ARG A 57 -9.686 -0.300 -2.344 1.00 53.43 H new ATOM 0 HB3 ARG A 57 -8.991 0.810 -1.180 1.00 53.43 H new ATOM 0 HG2 ARG A 57 -10.697 1.837 -3.458 1.00 53.13 H new ATOM 0 HG3 ARG A 57 -11.434 1.192 -2.004 1.00 53.13 H new ATOM 0 HD2 ARG A 57 -9.934 2.815 -0.685 1.00 72.40 H new ATOM 0 HD3 ARG A 57 -9.547 3.563 -2.223 1.00 72.40 H new ATOM 0 HE ARG A 57 -12.267 3.636 -2.295 1.00 31.33 H new ATOM 0 HH11 ARG A 57 -9.902 4.464 0.191 1.00 41.52 H new ATOM 0 HH12 ARG A 57 -10.925 5.701 0.930 1.00 41.52 H new ATOM 0 HH21 ARG A 57 -13.602 5.219 -1.327 1.00 44.24 H new ATOM 0 HH22 ARG A 57 -13.017 6.127 0.071 1.00 44.24 H new ATOM 921 N LEU A 58 -7.519 3.107 -4.078 1.00 70.32 N ATOM 922 CA LEU A 58 -6.896 4.423 -4.106 1.00 52.53 C ATOM 923 C LEU A 58 -7.766 5.402 -4.882 1.00 1.44 C ATOM 924 O LEU A 58 -8.447 5.016 -5.834 1.00 53.23 O ATOM 925 CB LEU A 58 -5.511 4.326 -4.750 1.00 43.32 C ATOM 926 CG LEU A 58 -4.773 5.652 -4.957 1.00 70.31 C ATOM 927 CD1 LEU A 58 -4.345 6.245 -3.625 1.00 22.42 C ATOM 928 CD2 LEU A 58 -3.572 5.454 -5.867 1.00 74.21 C ATOM 0 H LEU A 58 -7.910 2.813 -4.973 1.00 70.32 H new ATOM 0 HA LEU A 58 -6.790 4.786 -3.084 1.00 52.53 H new ATOM 0 HB2 LEU A 58 -4.889 3.679 -4.131 1.00 43.32 H new ATOM 0 HB3 LEU A 58 -5.616 3.836 -5.718 1.00 43.32 H new ATOM 0 HG LEU A 58 -5.456 6.354 -5.435 1.00 70.31 H new ATOM 0 HD11 LEU A 58 -3.823 7.186 -3.797 1.00 22.42 H new ATOM 0 HD12 LEU A 58 -5.225 6.426 -3.008 1.00 22.42 H new ATOM 0 HD13 LEU A 58 -3.680 5.549 -3.114 1.00 22.42 H new ATOM 0 HD21 LEU A 58 -3.058 6.406 -6.004 1.00 74.21 H new ATOM 0 HD22 LEU A 58 -2.889 4.734 -5.416 1.00 74.21 H new ATOM 0 HD23 LEU A 58 -3.906 5.080 -6.835 1.00 74.21 H new ATOM 940 N ARG A 59 -7.742 6.664 -4.456 1.00 3.25 N ATOM 941 CA ARG A 59 -8.538 7.740 -5.063 1.00 14.11 C ATOM 942 C ARG A 59 -10.019 7.566 -4.739 1.00 40.31 C ATOM 943 O ARG A 59 -10.650 8.453 -4.167 1.00 35.12 O ATOM 944 CB ARG A 59 -8.334 7.791 -6.586 1.00 32.40 C ATOM 945 CG ARG A 59 -7.715 9.083 -7.093 1.00 3.14 C ATOM 946 CD ARG A 59 -6.315 9.297 -6.538 1.00 11.35 C ATOM 947 NE ARG A 59 -5.647 10.427 -7.180 1.00 40.31 N ATOM 948 CZ ARG A 59 -4.795 11.249 -6.564 1.00 61.05 C ATOM 949 NH1 ARG A 59 -4.534 11.104 -5.268 1.00 60.23 N ATOM 950 NH2 ARG A 59 -4.220 12.235 -7.238 1.00 65.00 N ATOM 0 H ARG A 59 -7.166 6.975 -3.674 1.00 3.25 H new ATOM 0 HA ARG A 59 -8.194 8.684 -4.639 1.00 14.11 H new ATOM 0 HB2 ARG A 59 -7.699 6.957 -6.883 1.00 32.40 H new ATOM 0 HB3 ARG A 59 -9.298 7.648 -7.075 1.00 32.40 H new ATOM 0 HG2 ARG A 59 -7.675 9.063 -8.182 1.00 3.14 H new ATOM 0 HG3 ARG A 59 -8.349 9.924 -6.813 1.00 3.14 H new ATOM 0 HD2 ARG A 59 -6.372 9.470 -5.463 1.00 11.35 H new ATOM 0 HD3 ARG A 59 -5.723 8.393 -6.684 1.00 11.35 H new ATOM 0 HE ARG A 59 -5.845 10.599 -8.166 1.00 40.31 H new ATOM 0 HH11 ARG A 59 -4.986 10.360 -4.737 1.00 60.23 H new ATOM 0 HH12 ARG A 59 -3.881 11.737 -4.805 1.00 60.23 H new ATOM 0 HH21 ARG A 59 -4.429 12.366 -8.228 1.00 65.00 H new ATOM 0 HH22 ARG A 59 -3.569 12.863 -6.767 1.00 65.00 H new ATOM 964 N GLY A 60 -10.558 6.413 -5.097 1.00 24.44 N ATOM 965 CA GLY A 60 -11.948 6.114 -4.838 1.00 0.32 C ATOM 966 C GLY A 60 -12.232 4.635 -4.987 1.00 51.44 C ATOM 967 O GLY A 60 -13.012 4.063 -4.224 1.00 2.03 O ATOM 0 H GLY A 60 -10.047 5.668 -5.570 1.00 24.44 H new ATOM 0 HA2 GLY A 60 -12.209 6.436 -3.830 1.00 0.32 H new ATOM 0 HA3 GLY A 60 -12.577 6.678 -5.526 1.00 0.32 H new ATOM 971 N TYR A 61 -11.577 4.013 -5.958 1.00 34.02 N ATOM 972 CA TYR A 61 -11.764 2.595 -6.230 1.00 34.53 C ATOM 973 C TYR A 61 -10.431 1.865 -6.178 1.00 10.53 C ATOM 974 O TYR A 61 -9.385 2.480 -5.987 1.00 45.43 O ATOM 975 CB TYR A 61 -12.434 2.382 -7.591 1.00 20.51 C ATOM 976 CG TYR A 61 -11.687 2.992 -8.761 1.00 74.23 C ATOM 977 CD1 TYR A 61 -11.772 4.351 -9.039 1.00 71.14 C ATOM 978 CD2 TYR A 61 -10.901 2.204 -9.593 1.00 43.12 C ATOM 979 CE1 TYR A 61 -11.095 4.904 -10.110 1.00 14.13 C ATOM 980 CE2 TYR A 61 -10.220 2.751 -10.662 1.00 53.42 C ATOM 981 CZ TYR A 61 -10.321 4.097 -10.917 1.00 70.43 C ATOM 982 OH TYR A 61 -9.648 4.640 -11.989 1.00 32.43 O ATOM 0 H TYR A 61 -10.907 4.473 -6.574 1.00 34.02 H new ATOM 0 HA TYR A 61 -12.419 2.186 -5.460 1.00 34.53 H new ATOM 0 HB2 TYR A 61 -12.544 1.311 -7.764 1.00 20.51 H new ATOM 0 HB3 TYR A 61 -13.438 2.804 -7.558 1.00 20.51 H new ATOM 0 HD1 TYR A 61 -12.377 4.985 -8.408 1.00 71.14 H new ATOM 0 HD2 TYR A 61 -10.821 1.144 -9.400 1.00 43.12 H new ATOM 0 HE1 TYR A 61 -11.172 5.962 -10.313 1.00 14.13 H new ATOM 0 HE2 TYR A 61 -9.610 2.123 -11.295 1.00 53.42 H new ATOM 0 HH TYR A 61 -9.149 3.936 -12.453 1.00 32.43 H new ATOM 992 N SER A 62 -10.473 0.560 -6.339 1.00 43.41 N ATOM 993 CA SER A 62 -9.292 -0.261 -6.223 1.00 14.40 C ATOM 994 C SER A 62 -8.607 -0.494 -7.570 1.00 2.44 C ATOM 995 O SER A 62 -9.263 -0.684 -8.596 1.00 44.22 O ATOM 996 CB SER A 62 -9.694 -1.584 -5.602 1.00 2.12 C ATOM 997 OG SER A 62 -10.699 -1.390 -4.617 1.00 63.44 O ATOM 0 H SER A 62 -11.325 0.042 -6.553 1.00 43.41 H new ATOM 0 HA SER A 62 -8.568 0.258 -5.595 1.00 14.40 H new ATOM 0 HB2 SER A 62 -10.061 -2.258 -6.376 1.00 2.12 H new ATOM 0 HB3 SER A 62 -8.823 -2.060 -5.152 1.00 2.12 H new ATOM 0 HG SER A 62 -11.141 -2.244 -4.428 1.00 63.44 H new ATOM 1003 N LEU A 63 -7.281 -0.473 -7.542 1.00 10.23 N ATOM 1004 CA LEU A 63 -6.459 -0.784 -8.701 1.00 14.32 C ATOM 1005 C LEU A 63 -5.296 -1.671 -8.270 1.00 41.25 C ATOM 1006 O LEU A 63 -4.811 -1.563 -7.142 1.00 40.45 O ATOM 1007 CB LEU A 63 -5.922 0.493 -9.353 1.00 43.22 C ATOM 1008 CG LEU A 63 -6.955 1.330 -10.110 1.00 51.24 C ATOM 1009 CD1 LEU A 63 -6.335 2.633 -10.595 1.00 64.25 C ATOM 1010 CD2 LEU A 63 -7.522 0.543 -11.284 1.00 60.25 C ATOM 0 H LEU A 63 -6.743 -0.238 -6.708 1.00 10.23 H new ATOM 0 HA LEU A 63 -7.074 -1.307 -9.434 1.00 14.32 H new ATOM 0 HB2 LEU A 63 -5.473 1.115 -8.578 1.00 43.22 H new ATOM 0 HB3 LEU A 63 -5.124 0.220 -10.044 1.00 43.22 H new ATOM 0 HG LEU A 63 -7.770 1.569 -9.427 1.00 51.24 H new ATOM 0 HD11 LEU A 63 -7.084 3.215 -11.131 1.00 64.25 H new ATOM 0 HD12 LEU A 63 -5.975 3.205 -9.740 1.00 64.25 H new ATOM 0 HD13 LEU A 63 -5.501 2.413 -11.262 1.00 64.25 H new ATOM 0 HD21 LEU A 63 -8.255 1.154 -11.811 1.00 60.25 H new ATOM 0 HD22 LEU A 63 -6.715 0.275 -11.966 1.00 60.25 H new ATOM 0 HD23 LEU A 63 -8.002 -0.364 -10.916 1.00 60.25 H new ATOM 1022 N SER A 64 -4.855 -2.547 -9.155 1.00 25.13 N ATOM 1023 CA SER A 64 -3.794 -3.474 -8.832 1.00 2.31 C ATOM 1024 C SER A 64 -2.416 -2.884 -9.124 1.00 64.14 C ATOM 1025 O SER A 64 -2.159 -2.365 -10.213 1.00 5.00 O ATOM 1026 CB SER A 64 -4.008 -4.779 -9.595 1.00 52.41 C ATOM 1027 OG SER A 64 -4.378 -4.547 -10.948 1.00 34.21 O ATOM 0 H SER A 64 -5.218 -2.633 -10.104 1.00 25.13 H new ATOM 0 HA SER A 64 -3.827 -3.676 -7.761 1.00 2.31 H new ATOM 0 HB2 SER A 64 -3.093 -5.371 -9.565 1.00 52.41 H new ATOM 0 HB3 SER A 64 -4.784 -5.365 -9.102 1.00 52.41 H new ATOM 0 HG SER A 64 -4.504 -5.405 -11.404 1.00 34.21 H new ATOM 1033 N LEU A 65 -1.543 -2.951 -8.130 1.00 13.02 N ATOM 1034 CA LEU A 65 -0.171 -2.499 -8.268 1.00 32.24 C ATOM 1035 C LEU A 65 0.753 -3.676 -7.965 1.00 4.13 C ATOM 1036 O LEU A 65 0.342 -4.619 -7.285 1.00 72.12 O ATOM 1037 CB LEU A 65 0.091 -1.327 -7.317 1.00 73.42 C ATOM 1038 CG LEU A 65 1.324 -0.483 -7.640 1.00 33.35 C ATOM 1039 CD1 LEU A 65 1.203 0.141 -9.023 1.00 11.11 C ATOM 1040 CD2 LEU A 65 1.512 0.596 -6.588 1.00 4.54 C ATOM 0 H LEU A 65 -1.768 -3.320 -7.206 1.00 13.02 H new ATOM 0 HA LEU A 65 0.017 -2.147 -9.282 1.00 32.24 H new ATOM 0 HB2 LEU A 65 -0.784 -0.677 -7.319 1.00 73.42 H new ATOM 0 HB3 LEU A 65 0.195 -1.719 -6.305 1.00 73.42 H new ATOM 0 HG LEU A 65 2.198 -1.135 -7.635 1.00 33.35 H new ATOM 0 HD11 LEU A 65 2.091 0.737 -9.232 1.00 11.11 H new ATOM 0 HD12 LEU A 65 1.110 -0.647 -9.771 1.00 11.11 H new ATOM 0 HD13 LEU A 65 0.321 0.780 -9.058 1.00 11.11 H new ATOM 0 HD21 LEU A 65 2.393 1.190 -6.830 1.00 4.54 H new ATOM 0 HD22 LEU A 65 0.634 1.241 -6.568 1.00 4.54 H new ATOM 0 HD23 LEU A 65 1.644 0.132 -5.611 1.00 4.54 H new ATOM 1052 N ARG A 66 1.986 -3.637 -8.450 1.00 64.13 N ATOM 1053 CA ARG A 66 2.841 -4.818 -8.404 1.00 23.43 C ATOM 1054 C ARG A 66 3.478 -5.012 -7.037 1.00 1.41 C ATOM 1055 O ARG A 66 3.634 -4.069 -6.258 1.00 25.54 O ATOM 1056 CB ARG A 66 3.936 -4.745 -9.467 1.00 33.45 C ATOM 1057 CG ARG A 66 3.430 -4.876 -10.891 1.00 62.11 C ATOM 1058 CD ARG A 66 2.866 -6.261 -11.162 1.00 45.41 C ATOM 1059 NE ARG A 66 2.635 -6.471 -12.590 1.00 33.51 N ATOM 1060 CZ ARG A 66 2.929 -7.597 -13.239 1.00 13.25 C ATOM 1061 NH1 ARG A 66 3.315 -8.680 -12.567 1.00 73.11 N ATOM 1062 NH2 ARG A 66 2.801 -7.645 -14.560 1.00 43.43 N ATOM 0 H ARG A 66 2.414 -2.814 -8.874 1.00 64.13 H new ATOM 0 HA ARG A 66 2.197 -5.674 -8.605 1.00 23.43 H new ATOM 0 HB2 ARG A 66 4.462 -3.796 -9.366 1.00 33.45 H new ATOM 0 HB3 ARG A 66 4.664 -5.534 -9.278 1.00 33.45 H new ATOM 0 HG2 ARG A 66 2.659 -4.127 -11.074 1.00 62.11 H new ATOM 0 HG3 ARG A 66 4.244 -4.672 -11.587 1.00 62.11 H new ATOM 0 HD2 ARG A 66 3.557 -7.017 -10.788 1.00 45.41 H new ATOM 0 HD3 ARG A 66 1.930 -6.388 -10.618 1.00 45.41 H new ATOM 0 HE ARG A 66 2.222 -5.706 -13.124 1.00 33.51 H new ATOM 0 HH11 ARG A 66 3.387 -8.650 -11.550 1.00 73.11 H new ATOM 0 HH12 ARG A 66 3.539 -9.539 -13.069 1.00 73.11 H new ATOM 0 HH21 ARG A 66 2.479 -6.823 -15.071 1.00 43.43 H new ATOM 0 HH22 ARG A 66 3.024 -8.504 -15.063 1.00 43.43 H new ATOM 1076 N LYS A 67 3.842 -6.258 -6.768 1.00 10.30 N ATOM 1077 CA LYS A 67 4.572 -6.631 -5.565 1.00 23.03 C ATOM 1078 C LYS A 67 5.887 -5.858 -5.461 1.00 45.01 C ATOM 1079 O LYS A 67 6.392 -5.608 -4.364 1.00 71.24 O ATOM 1080 CB LYS A 67 4.835 -8.136 -5.595 1.00 52.05 C ATOM 1081 CG LYS A 67 5.712 -8.651 -4.467 1.00 21.44 C ATOM 1082 CD LYS A 67 5.975 -10.148 -4.587 1.00 60.03 C ATOM 1083 CE LYS A 67 6.674 -10.513 -5.893 1.00 62.24 C ATOM 1084 NZ LYS A 67 5.732 -10.573 -7.050 1.00 15.22 N ATOM 0 H LYS A 67 3.637 -7.045 -7.384 1.00 10.30 H new ATOM 0 HA LYS A 67 3.974 -6.380 -4.689 1.00 23.03 H new ATOM 0 HB2 LYS A 67 3.879 -8.659 -5.561 1.00 52.05 H new ATOM 0 HB3 LYS A 67 5.303 -8.390 -6.546 1.00 52.05 H new ATOM 0 HG2 LYS A 67 6.661 -8.115 -4.471 1.00 21.44 H new ATOM 0 HG3 LYS A 67 5.232 -8.443 -3.511 1.00 21.44 H new ATOM 0 HD2 LYS A 67 6.587 -10.475 -3.747 1.00 60.03 H new ATOM 0 HD3 LYS A 67 5.030 -10.687 -4.521 1.00 60.03 H new ATOM 0 HE2 LYS A 67 7.453 -9.780 -6.101 1.00 62.24 H new ATOM 0 HE3 LYS A 67 7.167 -11.479 -5.780 1.00 62.24 H new ATOM 0 HZ1 LYS A 67 5.771 -11.519 -7.481 1.00 15.22 H new ATOM 0 HZ2 LYS A 67 4.764 -10.382 -6.720 1.00 15.22 H new ATOM 0 HZ3 LYS A 67 6.004 -9.860 -7.756 1.00 15.22 H new ATOM 1098 N SER A 68 6.430 -5.481 -6.613 1.00 31.24 N ATOM 1099 CA SER A 68 7.656 -4.699 -6.666 1.00 32.31 C ATOM 1100 C SER A 68 7.460 -3.353 -5.968 1.00 43.21 C ATOM 1101 O SER A 68 8.226 -2.988 -5.075 1.00 25.24 O ATOM 1102 CB SER A 68 8.074 -4.489 -8.122 1.00 63.31 C ATOM 1103 OG SER A 68 8.174 -5.730 -8.804 1.00 3.44 O ATOM 0 H SER A 68 6.037 -5.707 -7.527 1.00 31.24 H new ATOM 0 HA SER A 68 8.445 -5.243 -6.147 1.00 32.31 H new ATOM 0 HB2 SER A 68 7.347 -3.851 -8.625 1.00 63.31 H new ATOM 0 HB3 SER A 68 9.032 -3.971 -8.158 1.00 63.31 H new ATOM 0 HG SER A 68 8.441 -5.572 -9.734 1.00 3.44 H new ATOM 1109 N GLU A 69 6.408 -2.642 -6.361 1.00 54.11 N ATOM 1110 CA GLU A 69 6.084 -1.342 -5.782 1.00 41.23 C ATOM 1111 C GLU A 69 5.750 -1.469 -4.297 1.00 72.10 C ATOM 1112 O GLU A 69 6.004 -0.555 -3.516 1.00 62.12 O ATOM 1113 CB GLU A 69 4.905 -0.695 -6.523 1.00 62.44 C ATOM 1114 CG GLU A 69 5.205 -0.313 -7.965 1.00 72.21 C ATOM 1115 CD GLU A 69 5.040 -1.471 -8.927 1.00 23.22 C ATOM 1116 OE1 GLU A 69 6.009 -2.217 -9.144 1.00 0.02 O ATOM 1117 OE2 GLU A 69 3.931 -1.632 -9.480 1.00 10.21 O ATOM 0 H GLU A 69 5.759 -2.948 -7.086 1.00 54.11 H new ATOM 0 HA GLU A 69 6.963 -0.707 -5.889 1.00 41.23 H new ATOM 0 HB2 GLU A 69 4.061 -1.384 -6.510 1.00 62.44 H new ATOM 0 HB3 GLU A 69 4.596 0.198 -5.980 1.00 62.44 H new ATOM 0 HG2 GLU A 69 4.544 0.500 -8.266 1.00 72.21 H new ATOM 0 HG3 GLU A 69 6.225 0.065 -8.031 1.00 72.21 H new ATOM 1124 N ALA A 70 5.195 -2.615 -3.913 1.00 5.50 N ATOM 1125 CA ALA A 70 4.823 -2.874 -2.523 1.00 63.42 C ATOM 1126 C ALA A 70 6.033 -2.804 -1.592 1.00 22.21 C ATOM 1127 O ALA A 70 5.891 -2.613 -0.385 1.00 24.24 O ATOM 1128 CB ALA A 70 4.138 -4.229 -2.404 1.00 3.35 C ATOM 0 H ALA A 70 4.991 -3.385 -4.550 1.00 5.50 H new ATOM 0 HA ALA A 70 4.126 -2.095 -2.215 1.00 63.42 H new ATOM 0 HB1 ALA A 70 3.866 -4.409 -1.364 1.00 3.35 H new ATOM 0 HB2 ALA A 70 3.239 -4.238 -3.021 1.00 3.35 H new ATOM 0 HB3 ALA A 70 4.818 -5.011 -2.742 1.00 3.35 H new ATOM 1134 N LYS A 71 7.217 -2.977 -2.155 1.00 35.15 N ATOM 1135 CA LYS A 71 8.451 -2.887 -1.386 1.00 51.20 C ATOM 1136 C LYS A 71 8.786 -1.421 -1.123 1.00 72.24 C ATOM 1137 O LYS A 71 9.173 -1.040 -0.019 1.00 31.24 O ATOM 1138 CB LYS A 71 9.589 -3.554 -2.178 1.00 72.43 C ATOM 1139 CG LYS A 71 10.809 -3.997 -1.366 1.00 4.21 C ATOM 1140 CD LYS A 71 11.589 -2.841 -0.742 1.00 62.01 C ATOM 1141 CE LYS A 71 12.002 -1.781 -1.762 1.00 24.40 C ATOM 1142 NZ LYS A 71 12.748 -2.342 -2.920 1.00 12.01 N ATOM 0 H LYS A 71 7.352 -3.181 -3.145 1.00 35.15 H new ATOM 0 HA LYS A 71 8.328 -3.397 -0.431 1.00 51.20 H new ATOM 0 HB2 LYS A 71 9.184 -4.426 -2.691 1.00 72.43 H new ATOM 0 HB3 LYS A 71 9.924 -2.859 -2.948 1.00 72.43 H new ATOM 0 HG2 LYS A 71 10.481 -4.671 -0.574 1.00 4.21 H new ATOM 0 HG3 LYS A 71 11.477 -4.566 -2.013 1.00 4.21 H new ATOM 0 HD2 LYS A 71 10.980 -2.375 0.032 1.00 62.01 H new ATOM 0 HD3 LYS A 71 12.480 -3.233 -0.253 1.00 62.01 H new ATOM 0 HE2 LYS A 71 11.111 -1.269 -2.126 1.00 24.40 H new ATOM 0 HE3 LYS A 71 12.621 -1.032 -1.268 1.00 24.40 H new ATOM 0 HZ1 LYS A 71 13.565 -1.735 -3.134 1.00 12.01 H new ATOM 0 HZ2 LYS A 71 13.080 -3.300 -2.688 1.00 12.01 H new ATOM 0 HZ3 LYS A 71 12.121 -2.384 -3.749 1.00 12.01 H new ATOM 1156 N ASP A 72 8.611 -0.604 -2.153 1.00 32.23 N ATOM 1157 CA ASP A 72 9.072 0.778 -2.139 1.00 53.03 C ATOM 1158 C ASP A 72 8.037 1.720 -1.532 1.00 30.22 C ATOM 1159 O ASP A 72 8.327 2.892 -1.276 1.00 41.41 O ATOM 1160 CB ASP A 72 9.419 1.219 -3.561 1.00 2.44 C ATOM 1161 CG ASP A 72 10.682 0.556 -4.085 1.00 53.14 C ATOM 1162 OD1 ASP A 72 10.643 -0.652 -4.400 1.00 52.12 O ATOM 1163 OD2 ASP A 72 11.722 1.239 -4.190 1.00 54.42 O ATOM 0 H ASP A 72 8.147 -0.879 -3.019 1.00 32.23 H new ATOM 0 HA ASP A 72 9.962 0.827 -1.511 1.00 53.03 H new ATOM 0 HB2 ASP A 72 8.587 0.983 -4.224 1.00 2.44 H new ATOM 0 HB3 ASP A 72 9.546 2.301 -3.581 1.00 2.44 H new ATOM 1168 N ILE A 73 6.832 1.214 -1.314 1.00 74.03 N ATOM 1169 CA ILE A 73 5.796 1.980 -0.635 1.00 33.42 C ATOM 1170 C ILE A 73 5.867 1.732 0.867 1.00 42.04 C ATOM 1171 O ILE A 73 5.611 0.619 1.329 1.00 10.24 O ATOM 1172 CB ILE A 73 4.379 1.620 -1.139 1.00 31.41 C ATOM 1173 CG1 ILE A 73 4.254 1.891 -2.639 1.00 31.51 C ATOM 1174 CG2 ILE A 73 3.326 2.411 -0.376 1.00 51.13 C ATOM 1175 CD1 ILE A 73 2.918 1.483 -3.224 1.00 61.34 C ATOM 0 H ILE A 73 6.547 0.276 -1.597 1.00 74.03 H new ATOM 0 HA ILE A 73 5.977 3.032 -0.856 1.00 33.42 H new ATOM 0 HB ILE A 73 4.216 0.557 -0.963 1.00 31.41 H new ATOM 0 HG12 ILE A 73 4.410 2.954 -2.821 1.00 31.51 H new ATOM 0 HG13 ILE A 73 5.048 1.358 -3.163 1.00 31.51 H new ATOM 0 HG21 ILE A 73 2.335 2.146 -0.743 1.00 51.13 H new ATOM 0 HG22 ILE A 73 3.394 2.177 0.686 1.00 51.13 H new ATOM 0 HG23 ILE A 73 3.494 3.478 -0.524 1.00 51.13 H new ATOM 0 HD11 ILE A 73 2.905 1.706 -4.291 1.00 61.34 H new ATOM 0 HD12 ILE A 73 2.767 0.414 -3.075 1.00 61.34 H new ATOM 0 HD13 ILE A 73 2.120 2.035 -2.728 1.00 61.34 H new ATOM 1187 N LEU A 74 6.224 2.760 1.622 1.00 22.45 N ATOM 1188 CA LEU A 74 6.315 2.646 3.067 1.00 52.03 C ATOM 1189 C LEU A 74 5.040 3.157 3.723 1.00 41.14 C ATOM 1190 O LEU A 74 4.736 4.352 3.686 1.00 11.02 O ATOM 1191 CB LEU A 74 7.520 3.427 3.592 1.00 5.42 C ATOM 1192 CG LEU A 74 8.882 2.943 3.091 1.00 2.34 C ATOM 1193 CD1 LEU A 74 9.995 3.813 3.655 1.00 4.32 C ATOM 1194 CD2 LEU A 74 9.103 1.485 3.464 1.00 45.00 C ATOM 0 H LEU A 74 6.455 3.683 1.256 1.00 22.45 H new ATOM 0 HA LEU A 74 6.443 1.593 3.318 1.00 52.03 H new ATOM 0 HB2 LEU A 74 7.401 4.475 3.316 1.00 5.42 H new ATOM 0 HB3 LEU A 74 7.515 3.382 4.681 1.00 5.42 H new ATOM 0 HG LEU A 74 8.897 3.024 2.004 1.00 2.34 H new ATOM 0 HD11 LEU A 74 10.957 3.455 3.289 1.00 4.32 H new ATOM 0 HD12 LEU A 74 9.847 4.845 3.337 1.00 4.32 H new ATOM 0 HD13 LEU A 74 9.980 3.763 4.744 1.00 4.32 H new ATOM 0 HD21 LEU A 74 10.077 1.160 3.099 1.00 45.00 H new ATOM 0 HD22 LEU A 74 9.067 1.377 4.548 1.00 45.00 H new ATOM 0 HD23 LEU A 74 8.323 0.872 3.013 1.00 45.00 H new ATOM 1206 N VAL A 75 4.298 2.246 4.319 1.00 25.05 N ATOM 1207 CA VAL A 75 3.039 2.573 4.966 1.00 24.14 C ATOM 1208 C VAL A 75 2.981 1.946 6.347 1.00 35.12 C ATOM 1209 O VAL A 75 3.808 1.106 6.692 1.00 72.40 O ATOM 1210 CB VAL A 75 1.829 2.077 4.141 1.00 24.21 C ATOM 1211 CG1 VAL A 75 1.732 2.816 2.817 1.00 40.33 C ATOM 1212 CG2 VAL A 75 1.923 0.577 3.904 1.00 34.44 C ATOM 0 H VAL A 75 4.548 1.259 4.370 1.00 25.05 H new ATOM 0 HA VAL A 75 2.987 3.659 5.044 1.00 24.14 H new ATOM 0 HB VAL A 75 0.925 2.284 4.713 1.00 24.21 H new ATOM 0 HG11 VAL A 75 0.873 2.448 2.257 1.00 40.33 H new ATOM 0 HG12 VAL A 75 1.613 3.883 3.004 1.00 40.33 H new ATOM 0 HG13 VAL A 75 2.641 2.648 2.239 1.00 40.33 H new ATOM 0 HG21 VAL A 75 1.063 0.246 3.322 1.00 34.44 H new ATOM 0 HG22 VAL A 75 2.839 0.352 3.358 1.00 34.44 H new ATOM 0 HG23 VAL A 75 1.934 0.057 4.862 1.00 34.44 H new ATOM 1222 N GLU A 76 2.018 2.357 7.144 1.00 61.35 N ATOM 1223 CA GLU A 76 1.804 1.738 8.438 1.00 64.13 C ATOM 1224 C GLU A 76 0.312 1.607 8.686 1.00 43.33 C ATOM 1225 O GLU A 76 -0.472 2.448 8.240 1.00 24.23 O ATOM 1226 CB GLU A 76 2.485 2.535 9.560 1.00 20.24 C ATOM 1227 CG GLU A 76 2.631 1.741 10.853 1.00 23.15 C ATOM 1228 CD GLU A 76 3.522 2.420 11.877 1.00 23.22 C ATOM 1229 OE1 GLU A 76 4.706 2.678 11.567 1.00 12.03 O ATOM 1230 OE2 GLU A 76 3.060 2.654 13.013 1.00 74.40 O ATOM 0 H GLU A 76 1.372 3.114 6.921 1.00 61.35 H new ATOM 0 HA GLU A 76 2.256 0.746 8.436 1.00 64.13 H new ATOM 0 HB2 GLU A 76 3.471 2.855 9.224 1.00 20.24 H new ATOM 0 HB3 GLU A 76 1.908 3.438 9.758 1.00 20.24 H new ATOM 0 HG2 GLU A 76 1.644 1.584 11.288 1.00 23.15 H new ATOM 0 HG3 GLU A 76 3.039 0.757 10.623 1.00 23.15 H new ATOM 1237 N VAL A 77 -0.072 0.539 9.370 1.00 23.34 N ATOM 1238 CA VAL A 77 -1.475 0.258 9.624 1.00 53.24 C ATOM 1239 C VAL A 77 -2.061 1.295 10.570 1.00 63.25 C ATOM 1240 O VAL A 77 -1.813 1.264 11.775 1.00 42.14 O ATOM 1241 CB VAL A 77 -1.672 -1.152 10.221 1.00 40.15 C ATOM 1242 CG1 VAL A 77 -3.150 -1.460 10.415 1.00 23.13 C ATOM 1243 CG2 VAL A 77 -1.020 -2.206 9.336 1.00 0.35 C ATOM 0 H VAL A 77 0.572 -0.149 9.760 1.00 23.34 H new ATOM 0 HA VAL A 77 -1.995 0.302 8.667 1.00 53.24 H new ATOM 0 HB VAL A 77 -1.189 -1.174 11.198 1.00 40.15 H new ATOM 0 HG11 VAL A 77 -3.261 -2.459 10.837 1.00 23.13 H new ATOM 0 HG12 VAL A 77 -3.588 -0.729 11.094 1.00 23.13 H new ATOM 0 HG13 VAL A 77 -3.661 -1.413 9.453 1.00 23.13 H new ATOM 0 HG21 VAL A 77 -1.170 -3.193 9.774 1.00 0.35 H new ATOM 0 HG22 VAL A 77 -1.470 -2.177 8.344 1.00 0.35 H new ATOM 0 HG23 VAL A 77 0.048 -2.003 9.256 1.00 0.35 H new ATOM 1253 N LEU A 78 -2.819 2.223 10.008 1.00 70.41 N ATOM 1254 CA LEU A 78 -3.425 3.283 10.793 1.00 30.35 C ATOM 1255 C LEU A 78 -4.895 3.009 11.041 1.00 33.25 C ATOM 1256 O LEU A 78 -5.615 3.854 11.564 1.00 71.04 O ATOM 1257 CB LEU A 78 -3.248 4.631 10.108 1.00 62.15 C ATOM 1258 CG LEU A 78 -1.826 5.197 10.154 1.00 54.22 C ATOM 1259 CD1 LEU A 78 -1.789 6.606 9.590 1.00 14.35 C ATOM 1260 CD2 LEU A 78 -1.287 5.179 11.578 1.00 54.42 C ATOM 0 H LEU A 78 -3.028 2.262 9.011 1.00 70.41 H new ATOM 0 HA LEU A 78 -2.917 3.313 11.757 1.00 30.35 H new ATOM 0 HB2 LEU A 78 -3.551 4.535 9.065 1.00 62.15 H new ATOM 0 HB3 LEU A 78 -3.924 5.349 10.572 1.00 62.15 H new ATOM 0 HG LEU A 78 -1.189 4.564 9.536 1.00 54.22 H new ATOM 0 HD11 LEU A 78 -0.769 6.988 9.633 1.00 14.35 H new ATOM 0 HD12 LEU A 78 -2.128 6.592 8.554 1.00 14.35 H new ATOM 0 HD13 LEU A 78 -2.443 7.250 10.178 1.00 14.35 H new ATOM 0 HD21 LEU A 78 -0.276 5.585 11.589 1.00 54.42 H new ATOM 0 HD22 LEU A 78 -1.929 5.785 12.218 1.00 54.42 H new ATOM 0 HD23 LEU A 78 -1.270 4.154 11.948 1.00 54.42 H new ATOM 1272 N LEU A 79 -5.346 1.842 10.620 1.00 21.13 N ATOM 1273 CA LEU A 79 -6.649 1.349 11.020 1.00 51.21 C ATOM 1274 C LEU A 79 -6.660 1.261 12.541 1.00 44.13 C ATOM 1275 O LEU A 79 -5.928 0.451 13.101 1.00 11.14 O ATOM 1276 CB LEU A 79 -6.923 -0.023 10.386 1.00 11.32 C ATOM 1277 CG LEU A 79 -8.401 -0.433 10.289 1.00 62.12 C ATOM 1278 CD1 LEU A 79 -8.549 -1.665 9.409 1.00 61.45 C ATOM 1279 CD2 LEU A 79 -8.996 -0.703 11.664 1.00 42.24 C ATOM 0 H LEU A 79 -4.828 1.218 10.001 1.00 21.13 H new ATOM 0 HA LEU A 79 -7.435 2.022 10.679 1.00 51.21 H new ATOM 0 HB2 LEU A 79 -6.497 -0.030 9.383 1.00 11.32 H new ATOM 0 HB3 LEU A 79 -6.393 -0.781 10.963 1.00 11.32 H new ATOM 0 HG LEU A 79 -8.947 0.398 9.842 1.00 62.12 H new ATOM 0 HD11 LEU A 79 -9.601 -1.945 9.349 1.00 61.45 H new ATOM 0 HD12 LEU A 79 -8.174 -1.445 8.409 1.00 61.45 H new ATOM 0 HD13 LEU A 79 -7.978 -2.489 9.838 1.00 61.45 H new ATOM 0 HD21 LEU A 79 -10.042 -0.990 11.558 1.00 42.24 H new ATOM 0 HD22 LEU A 79 -8.445 -1.510 12.147 1.00 42.24 H new ATOM 0 HD23 LEU A 79 -8.927 0.198 12.273 1.00 42.24 H new ATOM 1291 N GLU A 80 -7.479 2.111 13.172 1.00 3.34 N ATOM 1292 CA GLU A 80 -7.465 2.336 14.622 1.00 71.25 C ATOM 1293 C GLU A 80 -7.118 1.092 15.433 1.00 2.01 C ATOM 1294 O GLU A 80 -7.971 0.251 15.738 1.00 14.13 O ATOM 1295 CB GLU A 80 -8.801 2.910 15.097 1.00 23.13 C ATOM 1296 CG GLU A 80 -9.068 4.331 14.614 1.00 2.34 C ATOM 1297 CD GLU A 80 -9.688 4.392 13.232 1.00 32.44 C ATOM 1298 OE1 GLU A 80 -8.992 4.098 12.237 1.00 65.33 O ATOM 1299 OE2 GLU A 80 -10.882 4.745 13.138 1.00 70.43 O ATOM 0 H GLU A 80 -8.179 2.669 12.683 1.00 3.34 H new ATOM 0 HA GLU A 80 -6.668 3.058 14.799 1.00 71.25 H new ATOM 0 HB2 GLU A 80 -9.607 2.262 14.753 1.00 23.13 H new ATOM 0 HB3 GLU A 80 -8.825 2.896 16.187 1.00 23.13 H new ATOM 0 HG2 GLU A 80 -9.729 4.829 15.323 1.00 2.34 H new ATOM 0 HG3 GLU A 80 -8.130 4.887 14.608 1.00 2.34 H new ATOM 1306 N HIS A 81 -5.842 0.992 15.766 1.00 74.42 N ATOM 1307 CA HIS A 81 -5.335 -0.074 16.604 1.00 35.01 C ATOM 1308 C HIS A 81 -4.496 0.545 17.706 1.00 4.32 C ATOM 1309 O HIS A 81 -3.266 0.588 17.622 1.00 32.11 O ATOM 1310 CB HIS A 81 -4.507 -1.067 15.779 1.00 3.24 C ATOM 1311 CG HIS A 81 -4.137 -2.315 16.523 1.00 11.33 C ATOM 1312 ND1 HIS A 81 -5.012 -3.361 16.703 1.00 40.41 N ATOM 1313 CD2 HIS A 81 -2.980 -2.687 17.120 1.00 74.53 C ATOM 1314 CE1 HIS A 81 -4.412 -4.324 17.376 1.00 23.21 C ATOM 1315 NE2 HIS A 81 -3.180 -3.941 17.642 1.00 63.20 N ATOM 0 H HIS A 81 -5.128 1.653 15.460 1.00 74.42 H new ATOM 0 HA HIS A 81 -6.165 -0.629 17.040 1.00 35.01 H new ATOM 0 HB2 HIS A 81 -5.070 -1.341 14.887 1.00 3.24 H new ATOM 0 HB3 HIS A 81 -3.596 -0.573 15.442 1.00 3.24 H new ATOM 0 HD2 HIS A 81 -2.071 -2.107 17.175 1.00 74.53 H new ATOM 0 HE1 HIS A 81 -4.856 -5.267 17.661 1.00 23.21 H new ATOM 0 HE2 HIS A 81 -2.487 -4.488 18.153 1.00 63.20 H new ATOM 1324 N HIS A 82 -5.180 1.074 18.709 1.00 23.21 N ATOM 1325 CA HIS A 82 -4.524 1.787 19.791 1.00 3.31 C ATOM 1326 C HIS A 82 -3.662 0.824 20.596 1.00 51.41 C ATOM 1327 O HIS A 82 -4.134 -0.245 20.990 1.00 15.43 O ATOM 1328 CB HIS A 82 -5.574 2.458 20.681 1.00 2.42 C ATOM 1329 CG HIS A 82 -5.016 3.477 21.627 1.00 21.04 C ATOM 1330 ND1 HIS A 82 -4.816 4.795 21.281 1.00 3.22 N ATOM 1331 CD2 HIS A 82 -4.641 3.369 22.921 1.00 44.32 C ATOM 1332 CE1 HIS A 82 -4.343 5.451 22.321 1.00 44.40 C ATOM 1333 NE2 HIS A 82 -4.227 4.611 23.330 1.00 1.11 N ATOM 0 H HIS A 82 -6.195 1.022 18.795 1.00 23.21 H new ATOM 0 HA HIS A 82 -3.878 2.562 19.378 1.00 3.31 H new ATOM 0 HB2 HIS A 82 -6.319 2.937 20.046 1.00 2.42 H new ATOM 0 HB3 HIS A 82 -6.091 1.690 21.256 1.00 2.42 H new ATOM 0 HD2 HIS A 82 -4.663 2.472 23.521 1.00 44.32 H new ATOM 0 HE1 HIS A 82 -4.092 6.501 22.343 1.00 44.40 H new ATOM 0 HE2 HIS A 82 -3.885 4.846 24.262 1.00 1.11 H new ATOM 1342 N HIS A 83 -2.404 1.208 20.820 1.00 1.33 N ATOM 1343 CA HIS A 83 -1.425 0.344 21.479 1.00 12.41 C ATOM 1344 C HIS A 83 -1.058 -0.810 20.536 1.00 21.43 C ATOM 1345 O HIS A 83 -1.777 -1.803 20.442 1.00 2.21 O ATOM 1346 CB HIS A 83 -1.968 -0.157 22.828 1.00 2.34 C ATOM 1347 CG HIS A 83 -1.040 -1.035 23.606 1.00 73.33 C ATOM 1348 ND1 HIS A 83 0.215 -0.823 24.069 1.00 54.22 N flip ATOM 1349 CD2 HIS A 83 -1.399 -2.287 24.040 1.00 73.31 C flip ATOM 1350 CE1 HIS A 83 0.582 -1.943 24.774 1.00 74.30 C flip ATOM 1351 NE2 HIS A 83 -0.413 -2.810 24.738 1.00 40.43 N flip ATOM 0 H HIS A 83 -2.037 2.121 20.551 1.00 1.33 H new ATOM 0 HA HIS A 83 -0.518 0.908 21.697 1.00 12.41 H new ATOM 0 HB2 HIS A 83 -2.223 0.707 23.441 1.00 2.34 H new ATOM 0 HB3 HIS A 83 -2.893 -0.704 22.648 1.00 2.34 H new ATOM 0 HD1 HIS A 83 0.782 0.012 23.922 1.00 54.22 H new ATOM 0 HD2 HIS A 83 -2.345 -2.769 23.840 1.00 73.31 H new ATOM 0 HE1 HIS A 83 1.528 -2.090 25.275 1.00 74.30 H new ATOM 1360 N HIS A 84 0.061 -0.637 19.833 1.00 23.45 N ATOM 1361 CA HIS A 84 0.463 -1.516 18.729 1.00 53.14 C ATOM 1362 C HIS A 84 0.398 -3.000 19.092 1.00 32.25 C ATOM 1363 O HIS A 84 -0.275 -3.772 18.415 1.00 62.02 O ATOM 1364 CB HIS A 84 1.876 -1.148 18.260 1.00 55.40 C ATOM 1365 CG HIS A 84 2.369 -1.976 17.109 1.00 23.20 C ATOM 1366 ND1 HIS A 84 3.473 -2.793 17.197 1.00 11.52 N ATOM 1367 CD2 HIS A 84 1.906 -2.107 15.844 1.00 14.03 C ATOM 1368 CE1 HIS A 84 3.671 -3.390 16.038 1.00 61.44 C ATOM 1369 NE2 HIS A 84 2.735 -2.992 15.198 1.00 50.42 N ATOM 0 H HIS A 84 0.720 0.121 20.013 1.00 23.45 H new ATOM 0 HA HIS A 84 -0.252 -1.361 17.921 1.00 53.14 H new ATOM 0 HB2 HIS A 84 1.890 -0.097 17.971 1.00 55.40 H new ATOM 0 HB3 HIS A 84 2.566 -1.258 19.096 1.00 55.40 H new ATOM 0 HD2 HIS A 84 1.046 -1.609 15.421 1.00 14.03 H new ATOM 0 HE1 HIS A 84 4.465 -4.087 15.814 1.00 61.44 H new ATOM 0 HE2 HIS A 84 2.642 -3.292 14.228 1.00 50.42 H new ATOM 1378 N HIS A 85 1.093 -3.399 20.144 1.00 42.20 N ATOM 1379 CA HIS A 85 1.120 -4.804 20.530 1.00 53.44 C ATOM 1380 C HIS A 85 0.861 -4.948 22.018 1.00 35.03 C ATOM 1381 O HIS A 85 1.384 -4.172 22.816 1.00 54.32 O ATOM 1382 CB HIS A 85 2.472 -5.430 20.175 1.00 62.42 C ATOM 1383 CG HIS A 85 2.523 -6.916 20.377 1.00 33.13 C ATOM 1384 ND1 HIS A 85 2.803 -7.504 21.592 1.00 22.22 N ATOM 1385 CD2 HIS A 85 2.329 -7.933 19.506 1.00 63.15 C ATOM 1386 CE1 HIS A 85 2.781 -8.816 21.458 1.00 33.45 C ATOM 1387 NE2 HIS A 85 2.495 -9.104 20.203 1.00 42.21 N ATOM 0 H HIS A 85 1.641 -2.780 20.741 1.00 42.20 H new ATOM 0 HA HIS A 85 0.335 -5.325 19.982 1.00 53.44 H new ATOM 0 HB2 HIS A 85 2.703 -5.206 19.134 1.00 62.42 H new ATOM 0 HB3 HIS A 85 3.248 -4.963 20.781 1.00 62.42 H new ATOM 0 HD1 HIS A 85 2.997 -7.003 22.459 1.00 22.22 H new ATOM 0 HD2 HIS A 85 2.088 -7.841 18.457 1.00 63.15 H new ATOM 0 HE1 HIS A 85 2.966 -9.534 22.244 1.00 33.45 H new ATOM 1396 N HIS A 86 0.045 -5.936 22.371 1.00 73.03 N ATOM 1397 CA HIS A 86 -0.232 -6.256 23.766 1.00 72.45 C ATOM 1398 C HIS A 86 1.066 -6.538 24.515 1.00 21.42 C ATOM 1399 O HIS A 86 1.748 -7.520 24.166 1.00 37.08 O ATOM 1400 CB HIS A 86 -1.162 -7.471 23.865 1.00 44.33 C ATOM 1401 CG HIS A 86 -1.498 -7.855 25.275 1.00 31.42 C ATOM 1402 ND1 HIS A 86 -0.809 -8.819 25.978 1.00 54.21 N ATOM 1403 CD2 HIS A 86 -2.446 -7.387 26.121 1.00 22.41 C ATOM 1404 CE1 HIS A 86 -1.318 -8.926 27.190 1.00 25.43 C ATOM 1405 NE2 HIS A 86 -2.312 -8.067 27.305 1.00 73.03 N ATOM 1406 OXT HIS A 86 1.387 -5.784 25.452 1.00 37.08 O ATOM 0 H HIS A 86 -0.440 -6.534 21.702 1.00 73.03 H new ATOM 0 HA HIS A 86 -0.725 -5.397 24.221 1.00 72.45 H new ATOM 0 HB2 HIS A 86 -2.085 -7.257 23.326 1.00 44.33 H new ATOM 0 HB3 HIS A 86 -0.692 -8.320 23.368 1.00 44.33 H new ATOM 0 HD2 HIS A 86 -3.174 -6.619 25.904 1.00 22.41 H new ATOM 0 HE1 HIS A 86 -0.978 -9.603 27.959 1.00 25.43 H new ATOM 0 HE2 HIS A 86 -2.886 -7.931 28.137 1.00 73.03 H new TER 1415 HIS A 86