USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=17 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+ -171:sc= -0.0228 (180deg=-0.146) USER MOD Single : A 2 THR OG1 : rot 166:sc= 1.16 USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0892) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.75! C(o=-3.7!,f=-1.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 104:sc= 0.394 USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 1.2 (180deg=1.03) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 1.24 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0.656 (180deg=0.656) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 163:sc= -3.06 (180deg=-3.54!) USER MOD Single : A 40 THR OG1 : rot -120:sc= 0.0674 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 140:sc= -2.35! (180deg=-5.18!) USER MOD Single : A 61 TYR OH : rot 150:sc= 0.278 USER MOD Single : A 62 SER OG : rot 99:sc= 1.04 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.0828 (180deg=-0.49) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.175 F(o=-1,f=-0.18) USER MOD Single : A 83 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.4) USER MOD Single : A 84 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.02) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.022 7.389 17.148 1.00 4.23 N ATOM 2 CA MET A 1 7.415 7.794 15.778 1.00 1.52 C ATOM 3 C MET A 1 7.817 6.571 14.969 1.00 24.42 C ATOM 4 O MET A 1 8.878 5.989 15.196 1.00 64.04 O ATOM 5 CB MET A 1 8.588 8.778 15.810 1.00 72.13 C ATOM 6 CG MET A 1 8.333 10.027 16.634 1.00 42.53 C ATOM 7 SD MET A 1 9.723 11.176 16.587 1.00 32.43 S ATOM 8 CE MET A 1 9.198 12.383 17.802 1.00 54.11 C ATOM 0 H1 MET A 1 6.606 8.203 17.645 1.00 4.23 H new ATOM 0 H2 MET A 1 6.323 6.621 17.096 1.00 4.23 H new ATOM 0 H3 MET A 1 7.861 7.059 17.667 1.00 4.23 H new ATOM 0 HA MET A 1 6.557 8.282 15.315 1.00 1.52 H new ATOM 0 HB2 MET A 1 9.465 8.267 16.208 1.00 72.13 H new ATOM 0 HB3 MET A 1 8.827 9.073 14.788 1.00 72.13 H new ATOM 0 HG2 MET A 1 7.438 10.527 16.263 1.00 42.53 H new ATOM 0 HG3 MET A 1 8.134 9.743 17.667 1.00 42.53 H new ATOM 0 HE1 MET A 1 9.954 13.163 17.890 1.00 54.11 H new ATOM 0 HE2 MET A 1 8.253 12.827 17.489 1.00 54.11 H new ATOM 0 HE3 MET A 1 9.067 11.894 18.767 1.00 54.11 H new ATOM 20 N THR A 2 6.969 6.170 14.042 1.00 34.40 N ATOM 21 CA THR A 2 7.270 5.036 13.193 1.00 42.03 C ATOM 22 C THR A 2 7.511 5.476 11.758 1.00 14.35 C ATOM 23 O THR A 2 6.767 6.294 11.209 1.00 31.35 O ATOM 24 CB THR A 2 6.138 3.989 13.234 1.00 52.32 C ATOM 25 OG1 THR A 2 4.864 4.635 13.116 1.00 65.43 O ATOM 26 CG2 THR A 2 6.190 3.187 14.523 1.00 74.44 C ATOM 0 H THR A 2 6.068 6.612 13.858 1.00 34.40 H new ATOM 0 HA THR A 2 8.181 4.578 13.578 1.00 42.03 H new ATOM 0 HB THR A 2 6.275 3.307 12.395 1.00 52.32 H new ATOM 0 HG1 THR A 2 4.175 3.966 12.920 1.00 65.43 H new ATOM 0 HG21 THR A 2 5.382 2.455 14.529 1.00 74.44 H new ATOM 0 HG22 THR A 2 7.148 2.671 14.592 1.00 74.44 H new ATOM 0 HG23 THR A 2 6.078 3.859 15.374 1.00 74.44 H new ATOM 34 N LYS A 3 8.567 4.942 11.159 1.00 30.24 N ATOM 35 CA LYS A 3 8.864 5.201 9.756 1.00 2.05 C ATOM 36 C LYS A 3 7.982 4.319 8.876 1.00 60.01 C ATOM 37 O LYS A 3 8.017 4.390 7.649 1.00 33.20 O ATOM 38 CB LYS A 3 10.350 4.947 9.474 1.00 21.20 C ATOM 39 CG LYS A 3 10.783 5.280 8.051 1.00 70.51 C ATOM 40 CD LYS A 3 12.269 5.054 7.851 1.00 14.01 C ATOM 41 CE LYS A 3 12.677 5.274 6.405 1.00 61.53 C ATOM 42 NZ LYS A 3 12.393 6.657 5.939 1.00 4.24 N ATOM 0 H LYS A 3 9.234 4.326 11.624 1.00 30.24 H new ATOM 0 HA LYS A 3 8.652 6.245 9.527 1.00 2.05 H new ATOM 0 HB2 LYS A 3 10.946 5.537 10.170 1.00 21.20 H new ATOM 0 HB3 LYS A 3 10.572 3.899 9.673 1.00 21.20 H new ATOM 0 HG2 LYS A 3 10.223 4.665 7.347 1.00 70.51 H new ATOM 0 HG3 LYS A 3 10.540 6.319 7.830 1.00 70.51 H new ATOM 0 HD2 LYS A 3 12.831 5.730 8.495 1.00 14.01 H new ATOM 0 HD3 LYS A 3 12.527 4.039 8.152 1.00 14.01 H new ATOM 0 HE2 LYS A 3 13.742 5.068 6.296 1.00 61.53 H new ATOM 0 HE3 LYS A 3 12.148 4.564 5.769 1.00 61.53 H new ATOM 0 HZ1 LYS A 3 12.810 6.798 4.997 1.00 4.24 H new ATOM 0 HZ2 LYS A 3 11.364 6.802 5.888 1.00 4.24 H new ATOM 0 HZ3 LYS A 3 12.806 7.340 6.606 1.00 4.24 H new ATOM 56 N GLY A 4 7.184 3.495 9.533 1.00 72.33 N ATOM 57 CA GLY A 4 6.264 2.624 8.836 1.00 55.42 C ATOM 58 C GLY A 4 6.923 1.354 8.342 1.00 11.41 C ATOM 59 O GLY A 4 8.122 1.139 8.542 1.00 24.04 O ATOM 0 H GLY A 4 7.157 3.414 10.549 1.00 72.33 H new ATOM 0 HA2 GLY A 4 5.440 2.366 9.501 1.00 55.42 H new ATOM 0 HA3 GLY A 4 5.835 3.159 7.989 1.00 55.42 H new ATOM 63 N ILE A 5 6.129 0.515 7.703 1.00 44.21 N ATOM 64 CA ILE A 5 6.610 -0.723 7.118 1.00 35.44 C ATOM 65 C ILE A 5 6.278 -0.728 5.635 1.00 24.23 C ATOM 66 O ILE A 5 5.683 0.217 5.136 1.00 63.21 O ATOM 67 CB ILE A 5 5.973 -1.959 7.790 1.00 15.35 C ATOM 68 CG1 ILE A 5 4.443 -1.882 7.705 1.00 14.33 C ATOM 69 CG2 ILE A 5 6.434 -2.073 9.239 1.00 33.13 C ATOM 70 CD1 ILE A 5 3.739 -3.097 8.269 1.00 3.35 C ATOM 0 H ILE A 5 5.130 0.673 7.575 1.00 44.21 H new ATOM 0 HA ILE A 5 7.688 -0.778 7.272 1.00 35.44 H new ATOM 0 HB ILE A 5 6.299 -2.854 7.260 1.00 15.35 H new ATOM 0 HG12 ILE A 5 4.103 -0.995 8.240 1.00 14.33 H new ATOM 0 HG13 ILE A 5 4.152 -1.756 6.662 1.00 14.33 H new ATOM 0 HG21 ILE A 5 5.976 -2.949 9.699 1.00 33.13 H new ATOM 0 HG22 ILE A 5 7.519 -2.173 9.269 1.00 33.13 H new ATOM 0 HG23 ILE A 5 6.137 -1.179 9.787 1.00 33.13 H new ATOM 0 HD11 ILE A 5 2.661 -2.970 8.174 1.00 3.35 H new ATOM 0 HD12 ILE A 5 4.049 -3.985 7.719 1.00 3.35 H new ATOM 0 HD13 ILE A 5 3.999 -3.213 9.321 1.00 3.35 H new ATOM 82 N GLY A 6 6.655 -1.774 4.930 1.00 23.33 N ATOM 83 CA GLY A 6 6.344 -1.840 3.520 1.00 45.32 C ATOM 84 C GLY A 6 4.897 -2.218 3.278 1.00 52.12 C ATOM 85 O GLY A 6 4.289 -2.903 4.097 1.00 11.40 O ATOM 0 H GLY A 6 7.167 -2.574 5.301 1.00 23.33 H new ATOM 0 HA2 GLY A 6 6.549 -0.875 3.057 1.00 45.32 H new ATOM 0 HA3 GLY A 6 6.995 -2.569 3.038 1.00 45.32 H new ATOM 89 N LEU A 7 4.346 -1.768 2.157 1.00 4.11 N ATOM 90 CA LEU A 7 2.971 -2.099 1.783 1.00 4.40 C ATOM 91 C LEU A 7 2.831 -3.613 1.646 1.00 23.13 C ATOM 92 O LEU A 7 1.793 -4.190 1.965 1.00 45.03 O ATOM 93 CB LEU A 7 2.609 -1.387 0.466 1.00 33.10 C ATOM 94 CG LEU A 7 1.117 -1.337 0.087 1.00 71.34 C ATOM 95 CD1 LEU A 7 0.636 -2.663 -0.483 1.00 25.24 C ATOM 96 CD2 LEU A 7 0.275 -0.936 1.290 1.00 55.41 C ATOM 0 H LEU A 7 4.830 -1.170 1.487 1.00 4.11 H new ATOM 0 HA LEU A 7 2.283 -1.759 2.557 1.00 4.40 H new ATOM 0 HB2 LEU A 7 2.979 -0.363 0.521 1.00 33.10 H new ATOM 0 HB3 LEU A 7 3.148 -1.878 -0.344 1.00 33.10 H new ATOM 0 HG LEU A 7 1.000 -0.583 -0.692 1.00 71.34 H new ATOM 0 HD11 LEU A 7 -0.421 -2.587 -0.738 1.00 25.24 H new ATOM 0 HD12 LEU A 7 1.209 -2.903 -1.378 1.00 25.24 H new ATOM 0 HD13 LEU A 7 0.775 -3.450 0.259 1.00 25.24 H new ATOM 0 HD21 LEU A 7 -0.776 -0.906 1.004 1.00 55.41 H new ATOM 0 HD22 LEU A 7 0.413 -1.664 2.090 1.00 55.41 H new ATOM 0 HD23 LEU A 7 0.585 0.049 1.639 1.00 55.41 H new ATOM 108 N ASN A 8 3.912 -4.249 1.212 1.00 22.23 N ATOM 109 CA ASN A 8 3.940 -5.696 1.027 1.00 33.21 C ATOM 110 C ASN A 8 3.911 -6.423 2.371 1.00 44.33 C ATOM 111 O ASN A 8 3.642 -7.620 2.430 1.00 74.32 O ATOM 112 CB ASN A 8 5.193 -6.114 0.246 1.00 10.31 C ATOM 113 CG ASN A 8 6.467 -6.003 1.069 1.00 34.32 C ATOM 114 OD1 ASN A 8 7.110 -4.845 1.022 1.00 34.51 O flip ATOM 115 ND2 ASN A 8 6.876 -6.954 1.734 1.00 54.24 N flip ATOM 0 H ASN A 8 4.788 -3.781 0.980 1.00 22.23 H new ATOM 0 HA ASN A 8 3.052 -5.974 0.460 1.00 33.21 H new ATOM 0 HB2 ASN A 8 5.076 -7.142 -0.096 1.00 10.31 H new ATOM 0 HB3 ASN A 8 5.285 -5.491 -0.643 1.00 10.31 H new ATOM 0 HD21 ASN A 8 6.354 -7.830 1.746 1.00 54.24 H new ATOM 0 HD22 ASN A 8 7.737 -6.866 2.274 1.00 54.24 H new ATOM 122 N GLU A 9 4.187 -5.694 3.446 1.00 52.43 N ATOM 123 CA GLU A 9 4.256 -6.282 4.770 1.00 2.41 C ATOM 124 C GLU A 9 2.905 -6.189 5.471 1.00 35.11 C ATOM 125 O GLU A 9 2.728 -6.695 6.582 1.00 74.13 O ATOM 126 CB GLU A 9 5.336 -5.582 5.591 1.00 45.22 C ATOM 127 CG GLU A 9 6.711 -5.635 4.949 1.00 11.43 C ATOM 128 CD GLU A 9 7.807 -5.100 5.846 1.00 31.25 C ATOM 129 OE1 GLU A 9 8.073 -3.880 5.814 1.00 20.44 O ATOM 130 OE2 GLU A 9 8.424 -5.900 6.576 1.00 63.23 O ATOM 0 H GLU A 9 4.367 -4.690 3.422 1.00 52.43 H new ATOM 0 HA GLU A 9 4.514 -7.337 4.674 1.00 2.41 H new ATOM 0 HB2 GLU A 9 5.052 -4.540 5.738 1.00 45.22 H new ATOM 0 HB3 GLU A 9 5.386 -6.041 6.578 1.00 45.22 H new ATOM 0 HG2 GLU A 9 6.940 -6.666 4.681 1.00 11.43 H new ATOM 0 HG3 GLU A 9 6.695 -5.061 4.023 1.00 11.43 H new ATOM 137 N VAL A 10 1.958 -5.539 4.812 1.00 11.13 N ATOM 138 CA VAL A 10 0.601 -5.431 5.323 1.00 24.15 C ATOM 139 C VAL A 10 -0.227 -6.593 4.782 1.00 63.30 C ATOM 140 O VAL A 10 0.131 -7.195 3.769 1.00 51.30 O ATOM 141 CB VAL A 10 -0.048 -4.089 4.911 1.00 15.55 C ATOM 142 CG1 VAL A 10 -1.367 -3.859 5.639 1.00 44.21 C ATOM 143 CG2 VAL A 10 0.907 -2.932 5.164 1.00 4.11 C ATOM 0 H VAL A 10 2.107 -5.075 3.916 1.00 11.13 H new ATOM 0 HA VAL A 10 0.633 -5.467 6.412 1.00 24.15 H new ATOM 0 HB VAL A 10 -0.261 -4.140 3.843 1.00 15.55 H new ATOM 0 HG11 VAL A 10 -1.795 -2.907 5.325 1.00 44.21 H new ATOM 0 HG12 VAL A 10 -2.060 -4.665 5.399 1.00 44.21 H new ATOM 0 HG13 VAL A 10 -1.191 -3.840 6.714 1.00 44.21 H new ATOM 0 HG21 VAL A 10 0.432 -1.997 4.868 1.00 4.11 H new ATOM 0 HG22 VAL A 10 1.157 -2.892 6.224 1.00 4.11 H new ATOM 0 HG23 VAL A 10 1.817 -3.077 4.582 1.00 4.11 H new ATOM 153 N GLU A 11 -1.323 -6.912 5.449 1.00 23.10 N ATOM 154 CA GLU A 11 -2.142 -8.044 5.054 1.00 25.11 C ATOM 155 C GLU A 11 -3.451 -7.558 4.431 1.00 52.15 C ATOM 156 O GLU A 11 -3.726 -6.358 4.403 1.00 64.44 O ATOM 157 CB GLU A 11 -2.409 -8.948 6.260 1.00 71.54 C ATOM 158 CG GLU A 11 -2.855 -10.353 5.885 1.00 50.54 C ATOM 159 CD GLU A 11 -3.026 -11.252 7.088 1.00 64.03 C ATOM 160 OE1 GLU A 11 -2.011 -11.766 7.600 1.00 1.14 O ATOM 161 OE2 GLU A 11 -4.178 -11.452 7.528 1.00 62.44 O ATOM 0 H GLU A 11 -1.665 -6.404 6.265 1.00 23.10 H new ATOM 0 HA GLU A 11 -1.606 -8.626 4.304 1.00 25.11 H new ATOM 0 HB2 GLU A 11 -1.503 -9.013 6.862 1.00 71.54 H new ATOM 0 HB3 GLU A 11 -3.175 -8.488 6.885 1.00 71.54 H new ATOM 0 HG2 GLU A 11 -3.798 -10.297 5.341 1.00 50.54 H new ATOM 0 HG3 GLU A 11 -2.123 -10.794 5.209 1.00 50.54 H new ATOM 168 N ILE A 12 -4.251 -8.495 3.943 1.00 63.13 N ATOM 169 CA ILE A 12 -5.489 -8.169 3.243 1.00 1.42 C ATOM 170 C ILE A 12 -6.532 -7.580 4.187 1.00 64.23 C ATOM 171 O ILE A 12 -6.512 -7.842 5.396 1.00 12.12 O ATOM 172 CB ILE A 12 -6.082 -9.410 2.543 1.00 54.32 C ATOM 173 CG1 ILE A 12 -6.349 -10.527 3.559 1.00 52.14 C ATOM 174 CG2 ILE A 12 -5.142 -9.892 1.447 1.00 55.43 C ATOM 175 CD1 ILE A 12 -6.977 -11.763 2.952 1.00 52.14 C ATOM 0 H ILE A 12 -4.064 -9.495 4.019 1.00 63.13 H new ATOM 0 HA ILE A 12 -5.233 -7.422 2.492 1.00 1.42 H new ATOM 0 HB ILE A 12 -7.033 -9.133 2.088 1.00 54.32 H new ATOM 0 HG12 ILE A 12 -5.409 -10.805 4.036 1.00 52.14 H new ATOM 0 HG13 ILE A 12 -7.003 -10.145 4.342 1.00 52.14 H new ATOM 0 HG21 ILE A 12 -5.570 -10.768 0.960 1.00 55.43 H new ATOM 0 HG22 ILE A 12 -5.003 -9.099 0.712 1.00 55.43 H new ATOM 0 HG23 ILE A 12 -4.178 -10.154 1.884 1.00 55.43 H new ATOM 0 HD11 ILE A 12 -7.136 -12.510 3.730 1.00 52.14 H new ATOM 0 HD12 ILE A 12 -7.933 -11.500 2.500 1.00 52.14 H new ATOM 0 HD13 ILE A 12 -6.314 -12.170 2.189 1.00 52.14 H new ATOM 187 N LYS A 13 -7.428 -6.773 3.615 1.00 42.45 N ATOM 188 CA LYS A 13 -8.529 -6.155 4.349 1.00 52.34 C ATOM 189 C LYS A 13 -8.005 -5.259 5.461 1.00 21.24 C ATOM 190 O LYS A 13 -8.541 -5.225 6.569 1.00 72.31 O ATOM 191 CB LYS A 13 -9.479 -7.225 4.889 1.00 14.42 C ATOM 192 CG LYS A 13 -10.131 -8.026 3.776 1.00 62.35 C ATOM 193 CD LYS A 13 -11.152 -9.017 4.302 1.00 45.44 C ATOM 194 CE LYS A 13 -11.797 -9.781 3.161 1.00 25.52 C ATOM 195 NZ LYS A 13 -12.836 -10.728 3.634 1.00 0.11 N ATOM 0 H LYS A 13 -7.408 -6.530 2.625 1.00 42.45 H new ATOM 0 HA LYS A 13 -9.093 -5.524 3.662 1.00 52.34 H new ATOM 0 HB2 LYS A 13 -8.929 -7.899 5.546 1.00 14.42 H new ATOM 0 HB3 LYS A 13 -10.252 -6.751 5.494 1.00 14.42 H new ATOM 0 HG2 LYS A 13 -10.616 -7.345 3.077 1.00 62.35 H new ATOM 0 HG3 LYS A 13 -9.362 -8.561 3.218 1.00 62.35 H new ATOM 0 HD2 LYS A 13 -10.669 -9.715 4.986 1.00 45.44 H new ATOM 0 HD3 LYS A 13 -11.917 -8.490 4.872 1.00 45.44 H new ATOM 0 HE2 LYS A 13 -12.244 -9.075 2.461 1.00 25.52 H new ATOM 0 HE3 LYS A 13 -11.030 -10.330 2.615 1.00 25.52 H new ATOM 0 HZ1 LYS A 13 -13.248 -11.227 2.820 1.00 0.11 H new ATOM 0 HZ2 LYS A 13 -12.407 -11.419 4.282 1.00 0.11 H new ATOM 0 HZ3 LYS A 13 -13.583 -10.203 4.133 1.00 0.11 H new ATOM 209 N SER A 14 -6.955 -4.522 5.141 1.00 24.12 N ATOM 210 CA SER A 14 -6.373 -3.575 6.068 1.00 61.23 C ATOM 211 C SER A 14 -6.236 -2.218 5.394 1.00 15.23 C ATOM 212 O SER A 14 -6.056 -2.141 4.177 1.00 43.14 O ATOM 213 CB SER A 14 -5.000 -4.062 6.523 1.00 75.43 C ATOM 214 OG SER A 14 -5.040 -5.427 6.910 1.00 3.43 O ATOM 0 H SER A 14 -6.486 -4.565 4.236 1.00 24.12 H new ATOM 0 HA SER A 14 -7.024 -3.485 6.938 1.00 61.23 H new ATOM 0 HB2 SER A 14 -4.279 -3.932 5.716 1.00 75.43 H new ATOM 0 HB3 SER A 14 -4.655 -3.454 7.360 1.00 75.43 H new ATOM 0 HG SER A 14 -4.641 -5.979 6.205 1.00 3.43 H new ATOM 220 N LYS A 15 -6.323 -1.153 6.174 1.00 2.21 N ATOM 221 CA LYS A 15 -6.154 0.186 5.637 1.00 1.22 C ATOM 222 C LYS A 15 -4.915 0.835 6.235 1.00 43.54 C ATOM 223 O LYS A 15 -4.704 0.792 7.449 1.00 5.21 O ATOM 224 CB LYS A 15 -7.391 1.049 5.900 1.00 23.13 C ATOM 225 CG LYS A 15 -7.340 2.386 5.181 1.00 4.31 C ATOM 226 CD LYS A 15 -8.606 3.196 5.385 1.00 30.02 C ATOM 227 CE LYS A 15 -8.575 4.457 4.540 1.00 50.45 C ATOM 228 NZ LYS A 15 -9.804 5.276 4.691 1.00 22.33 N ATOM 0 H LYS A 15 -6.509 -1.189 7.176 1.00 2.21 H new ATOM 0 HA LYS A 15 -6.027 0.107 4.557 1.00 1.22 H new ATOM 0 HB2 LYS A 15 -8.281 0.505 5.584 1.00 23.13 H new ATOM 0 HB3 LYS A 15 -7.487 1.222 6.972 1.00 23.13 H new ATOM 0 HG2 LYS A 15 -6.484 2.957 5.540 1.00 4.31 H new ATOM 0 HG3 LYS A 15 -7.186 2.218 4.115 1.00 4.31 H new ATOM 0 HD2 LYS A 15 -9.476 2.595 5.119 1.00 30.02 H new ATOM 0 HD3 LYS A 15 -8.710 3.459 6.438 1.00 30.02 H new ATOM 0 HE2 LYS A 15 -7.708 5.055 4.819 1.00 50.45 H new ATOM 0 HE3 LYS A 15 -8.451 4.185 3.492 1.00 50.45 H new ATOM 0 HZ1 LYS A 15 -9.801 6.040 3.985 1.00 22.33 H new ATOM 0 HZ2 LYS A 15 -10.641 4.676 4.548 1.00 22.33 H new ATOM 0 HZ3 LYS A 15 -9.832 5.687 5.646 1.00 22.33 H new ATOM 242 N VAL A 16 -4.095 1.420 5.380 1.00 74.22 N ATOM 243 CA VAL A 16 -2.841 2.024 5.804 1.00 5.11 C ATOM 244 C VAL A 16 -2.666 3.405 5.203 1.00 21.24 C ATOM 245 O VAL A 16 -3.344 3.775 4.245 1.00 44.21 O ATOM 246 CB VAL A 16 -1.630 1.149 5.409 1.00 44.40 C ATOM 247 CG1 VAL A 16 -1.641 -0.168 6.169 1.00 14.42 C ATOM 248 CG2 VAL A 16 -1.620 0.899 3.910 1.00 61.12 C ATOM 0 H VAL A 16 -4.276 1.491 4.379 1.00 74.22 H new ATOM 0 HA VAL A 16 -2.884 2.105 6.890 1.00 5.11 H new ATOM 0 HB VAL A 16 -0.721 1.687 5.677 1.00 44.40 H new ATOM 0 HG11 VAL A 16 -0.779 -0.766 5.873 1.00 14.42 H new ATOM 0 HG12 VAL A 16 -1.596 0.030 7.240 1.00 14.42 H new ATOM 0 HG13 VAL A 16 -2.556 -0.713 5.939 1.00 14.42 H new ATOM 0 HG21 VAL A 16 -0.760 0.281 3.650 1.00 61.12 H new ATOM 0 HG22 VAL A 16 -2.537 0.385 3.621 1.00 61.12 H new ATOM 0 HG23 VAL A 16 -1.556 1.851 3.383 1.00 61.12 H new ATOM 258 N LYS A 17 -1.767 4.166 5.789 1.00 54.43 N ATOM 259 CA LYS A 17 -1.423 5.475 5.287 1.00 64.03 C ATOM 260 C LYS A 17 -0.007 5.456 4.763 1.00 43.32 C ATOM 261 O LYS A 17 0.884 4.874 5.380 1.00 75.32 O ATOM 262 CB LYS A 17 -1.544 6.518 6.387 1.00 53.21 C ATOM 263 CG LYS A 17 -1.133 7.925 5.964 1.00 73.45 C ATOM 264 CD LYS A 17 -0.869 8.826 7.166 1.00 50.31 C ATOM 265 CE LYS A 17 -2.098 8.991 8.051 1.00 12.35 C ATOM 266 NZ LYS A 17 -3.157 9.824 7.415 1.00 65.12 N ATOM 0 H LYS A 17 -1.255 3.893 6.628 1.00 54.43 H new ATOM 0 HA LYS A 17 -2.112 5.734 4.483 1.00 64.03 H new ATOM 0 HB2 LYS A 17 -2.576 6.543 6.736 1.00 53.21 H new ATOM 0 HB3 LYS A 17 -0.929 6.211 7.233 1.00 53.21 H new ATOM 0 HG2 LYS A 17 -0.236 7.871 5.347 1.00 73.45 H new ATOM 0 HG3 LYS A 17 -1.918 8.363 5.348 1.00 73.45 H new ATOM 0 HD2 LYS A 17 -0.053 8.409 7.756 1.00 50.31 H new ATOM 0 HD3 LYS A 17 -0.542 9.806 6.817 1.00 50.31 H new ATOM 0 HE2 LYS A 17 -2.507 8.008 8.285 1.00 12.35 H new ATOM 0 HE3 LYS A 17 -1.802 9.447 8.996 1.00 12.35 H new ATOM 0 HZ1 LYS A 17 -3.970 9.904 8.059 1.00 65.12 H new ATOM 0 HZ2 LYS A 17 -2.779 10.772 7.215 1.00 65.12 H new ATOM 0 HZ3 LYS A 17 -3.462 9.378 6.526 1.00 65.12 H new ATOM 280 N VAL A 18 0.191 6.105 3.644 1.00 40.13 N ATOM 281 CA VAL A 18 1.494 6.164 3.011 1.00 72.02 C ATOM 282 C VAL A 18 2.393 7.132 3.760 1.00 72.23 C ATOM 283 O VAL A 18 2.319 8.347 3.565 1.00 22.13 O ATOM 284 CB VAL A 18 1.394 6.584 1.528 1.00 34.43 C ATOM 285 CG1 VAL A 18 2.769 6.610 0.878 1.00 70.44 C ATOM 286 CG2 VAL A 18 0.466 5.645 0.772 1.00 71.40 C ATOM 0 H VAL A 18 -0.541 6.608 3.143 1.00 40.13 H new ATOM 0 HA VAL A 18 1.922 5.162 3.046 1.00 72.02 H new ATOM 0 HB VAL A 18 0.980 7.591 1.487 1.00 34.43 H new ATOM 0 HG11 VAL A 18 2.672 6.909 -0.166 1.00 70.44 H new ATOM 0 HG12 VAL A 18 3.406 7.323 1.402 1.00 70.44 H new ATOM 0 HG13 VAL A 18 3.216 5.617 0.932 1.00 70.44 H new ATOM 0 HG21 VAL A 18 0.406 5.955 -0.271 1.00 71.40 H new ATOM 0 HG22 VAL A 18 0.854 4.628 0.827 1.00 71.40 H new ATOM 0 HG23 VAL A 18 -0.528 5.679 1.218 1.00 71.40 H new ATOM 296 N ILE A 19 3.201 6.588 4.656 1.00 22.24 N ATOM 297 CA ILE A 19 4.182 7.377 5.382 1.00 50.12 C ATOM 298 C ILE A 19 5.166 8.001 4.406 1.00 11.11 C ATOM 299 O ILE A 19 5.553 9.159 4.553 1.00 32.31 O ATOM 300 CB ILE A 19 4.944 6.521 6.416 1.00 2.01 C ATOM 301 CG1 ILE A 19 3.978 5.973 7.468 1.00 54.34 C ATOM 302 CG2 ILE A 19 6.055 7.325 7.081 1.00 53.10 C ATOM 303 CD1 ILE A 19 3.237 7.050 8.233 1.00 31.11 C ATOM 0 H ILE A 19 3.196 5.597 4.899 1.00 22.24 H new ATOM 0 HA ILE A 19 3.650 8.161 5.921 1.00 50.12 H new ATOM 0 HB ILE A 19 5.402 5.683 5.890 1.00 2.01 H new ATOM 0 HG12 ILE A 19 3.253 5.323 6.979 1.00 54.34 H new ATOM 0 HG13 ILE A 19 4.535 5.356 8.173 1.00 54.34 H new ATOM 0 HG21 ILE A 19 6.575 6.697 7.805 1.00 53.10 H new ATOM 0 HG22 ILE A 19 6.760 7.666 6.323 1.00 53.10 H new ATOM 0 HG23 ILE A 19 5.625 8.187 7.591 1.00 53.10 H new ATOM 0 HD11 ILE A 19 2.571 6.587 8.961 1.00 31.11 H new ATOM 0 HD12 ILE A 19 3.954 7.687 8.751 1.00 31.11 H new ATOM 0 HD13 ILE A 19 2.652 7.653 7.538 1.00 31.11 H new ATOM 315 N GLY A 20 5.558 7.231 3.404 1.00 21.34 N ATOM 316 CA GLY A 20 6.429 7.751 2.383 1.00 1.11 C ATOM 317 C GLY A 20 6.735 6.730 1.317 1.00 70.44 C ATOM 318 O GLY A 20 6.424 5.548 1.458 1.00 13.50 O ATOM 0 H GLY A 20 5.286 6.255 3.283 1.00 21.34 H new ATOM 0 HA2 GLY A 20 5.966 8.625 1.924 1.00 1.11 H new ATOM 0 HA3 GLY A 20 7.360 8.087 2.839 1.00 1.11 H new ATOM 322 N ILE A 21 7.327 7.201 0.245 1.00 73.24 N ATOM 323 CA ILE A 21 7.753 6.353 -0.848 1.00 74.42 C ATOM 324 C ILE A 21 9.272 6.207 -0.788 1.00 15.02 C ATOM 325 O ILE A 21 9.941 7.020 -0.152 1.00 50.51 O ATOM 326 CB ILE A 21 7.311 6.946 -2.208 1.00 10.43 C ATOM 327 CG1 ILE A 21 5.807 7.250 -2.191 1.00 25.54 C ATOM 328 CG2 ILE A 21 7.638 5.990 -3.351 1.00 34.30 C ATOM 329 CD1 ILE A 21 5.290 7.853 -3.481 1.00 30.32 C ATOM 0 H ILE A 21 7.529 8.191 0.104 1.00 73.24 H new ATOM 0 HA ILE A 21 7.287 5.372 -0.754 1.00 74.42 H new ATOM 0 HB ILE A 21 7.860 7.874 -2.368 1.00 10.43 H new ATOM 0 HG12 ILE A 21 5.262 6.328 -1.988 1.00 25.54 H new ATOM 0 HG13 ILE A 21 5.593 7.934 -1.370 1.00 25.54 H new ATOM 0 HG21 ILE A 21 7.318 6.429 -4.296 1.00 34.30 H new ATOM 0 HG22 ILE A 21 8.713 5.811 -3.380 1.00 34.30 H new ATOM 0 HG23 ILE A 21 7.117 5.045 -3.195 1.00 34.30 H new ATOM 0 HD11 ILE A 21 4.220 8.040 -3.392 1.00 30.32 H new ATOM 0 HD12 ILE A 21 5.807 8.792 -3.677 1.00 30.32 H new ATOM 0 HD13 ILE A 21 5.470 7.161 -4.304 1.00 30.32 H new ATOM 341 N VAL A 22 9.803 5.169 -1.415 1.00 30.14 N ATOM 342 CA VAL A 22 11.234 4.892 -1.387 1.00 10.30 C ATOM 343 C VAL A 22 11.901 5.395 -2.667 1.00 51.12 C ATOM 344 O VAL A 22 11.904 4.713 -3.694 1.00 24.31 O ATOM 345 CB VAL A 22 11.521 3.384 -1.205 1.00 73.11 C ATOM 346 CG1 VAL A 22 13.017 3.115 -1.160 1.00 1.52 C ATOM 347 CG2 VAL A 22 10.846 2.859 0.055 1.00 10.41 C ATOM 0 H VAL A 22 9.259 4.497 -1.956 1.00 30.14 H new ATOM 0 HA VAL A 22 11.651 5.421 -0.530 1.00 10.30 H new ATOM 0 HB VAL A 22 11.108 2.856 -2.065 1.00 73.11 H new ATOM 0 HG11 VAL A 22 13.191 2.047 -1.031 1.00 1.52 H new ATOM 0 HG12 VAL A 22 13.475 3.447 -2.092 1.00 1.52 H new ATOM 0 HG13 VAL A 22 13.459 3.658 -0.325 1.00 1.52 H new ATOM 0 HG21 VAL A 22 11.059 1.796 0.166 1.00 10.41 H new ATOM 0 HG22 VAL A 22 11.226 3.398 0.923 1.00 10.41 H new ATOM 0 HG23 VAL A 22 9.769 3.007 -0.021 1.00 10.41 H new ATOM 357 N PRO A 23 12.407 6.647 -2.638 1.00 61.30 N ATOM 358 CA PRO A 23 12.980 7.318 -3.811 1.00 30.02 C ATOM 359 C PRO A 23 14.181 6.577 -4.388 1.00 71.21 C ATOM 360 O PRO A 23 14.609 5.556 -3.848 1.00 44.23 O ATOM 361 CB PRO A 23 13.404 8.693 -3.279 1.00 72.50 C ATOM 362 CG PRO A 23 12.648 8.868 -2.010 1.00 22.44 C ATOM 363 CD PRO A 23 12.509 7.491 -1.436 1.00 71.25 C ATOM 0 HA PRO A 23 12.262 7.368 -4.629 1.00 30.02 H new ATOM 0 HB2 PRO A 23 14.479 8.734 -3.106 1.00 72.50 H new ATOM 0 HB3 PRO A 23 13.165 9.482 -3.992 1.00 72.50 H new ATOM 0 HG2 PRO A 23 13.179 9.528 -1.324 1.00 22.44 H new ATOM 0 HG3 PRO A 23 11.672 9.318 -2.193 1.00 22.44 H new ATOM 0 HD2 PRO A 23 13.368 7.220 -0.823 1.00 71.25 H new ATOM 0 HD3 PRO A 23 11.625 7.403 -0.804 1.00 71.25 H new ATOM 371 N GLU A 24 14.726 7.118 -5.478 1.00 63.13 N ATOM 372 CA GLU A 24 15.799 6.476 -6.252 1.00 52.42 C ATOM 373 C GLU A 24 15.321 5.192 -6.943 1.00 22.42 C ATOM 374 O GLU A 24 15.792 4.855 -8.031 1.00 54.13 O ATOM 375 CB GLU A 24 17.012 6.191 -5.361 1.00 44.41 C ATOM 376 CG GLU A 24 18.315 6.054 -6.128 1.00 33.34 C ATOM 377 CD GLU A 24 19.510 5.918 -5.209 1.00 30.52 C ATOM 378 OE1 GLU A 24 19.737 4.809 -4.679 1.00 43.24 O ATOM 379 OE2 GLU A 24 20.221 6.924 -5.005 1.00 54.31 O ATOM 0 H GLU A 24 14.436 8.020 -5.855 1.00 63.13 H new ATOM 0 HA GLU A 24 16.096 7.174 -7.035 1.00 52.42 H new ATOM 0 HB2 GLU A 24 17.113 6.995 -4.632 1.00 44.41 H new ATOM 0 HB3 GLU A 24 16.832 5.273 -4.801 1.00 44.41 H new ATOM 0 HG2 GLU A 24 18.260 5.183 -6.781 1.00 33.34 H new ATOM 0 HG3 GLU A 24 18.450 6.925 -6.770 1.00 33.34 H new ATOM 386 N SER A 25 14.387 4.486 -6.323 1.00 21.42 N ATOM 387 CA SER A 25 13.802 3.303 -6.901 1.00 10.13 C ATOM 388 C SER A 25 13.049 3.641 -8.187 1.00 14.23 C ATOM 389 O SER A 25 12.567 4.768 -8.366 1.00 13.02 O ATOM 390 CB SER A 25 12.867 2.665 -5.882 1.00 1.30 C ATOM 391 OG SER A 25 13.547 1.688 -5.109 1.00 32.13 O ATOM 0 H SER A 25 14.018 4.725 -5.403 1.00 21.42 H new ATOM 0 HA SER A 25 14.593 2.599 -7.159 1.00 10.13 H new ATOM 0 HB2 SER A 25 12.460 3.434 -5.226 1.00 1.30 H new ATOM 0 HB3 SER A 25 12.023 2.205 -6.396 1.00 1.30 H new ATOM 0 HG SER A 25 12.927 1.294 -4.460 1.00 32.13 H new ATOM 397 N LYS A 26 12.948 2.658 -9.072 1.00 2.44 N ATOM 398 CA LYS A 26 12.367 2.861 -10.392 1.00 32.44 C ATOM 399 C LYS A 26 10.858 3.046 -10.288 1.00 33.43 C ATOM 400 O LYS A 26 10.299 4.005 -10.829 1.00 34.13 O ATOM 401 CB LYS A 26 12.701 1.664 -11.293 1.00 21.54 C ATOM 402 CG LYS A 26 12.682 1.958 -12.793 1.00 64.54 C ATOM 403 CD LYS A 26 11.279 2.216 -13.325 1.00 41.32 C ATOM 404 CE LYS A 26 11.296 2.489 -14.819 1.00 53.11 C ATOM 405 NZ LYS A 26 9.937 2.756 -15.358 1.00 30.41 N ATOM 0 H LYS A 26 13.264 1.704 -8.897 1.00 2.44 H new ATOM 0 HA LYS A 26 12.790 3.764 -10.831 1.00 32.44 H new ATOM 0 HB2 LYS A 26 13.689 1.291 -11.024 1.00 21.54 H new ATOM 0 HB3 LYS A 26 11.991 0.864 -11.086 1.00 21.54 H new ATOM 0 HG2 LYS A 26 13.308 2.827 -12.997 1.00 64.54 H new ATOM 0 HG3 LYS A 26 13.120 1.116 -13.329 1.00 64.54 H new ATOM 0 HD2 LYS A 26 10.645 1.354 -13.118 1.00 41.32 H new ATOM 0 HD3 LYS A 26 10.841 3.066 -12.803 1.00 41.32 H new ATOM 0 HE2 LYS A 26 11.940 3.345 -15.023 1.00 53.11 H new ATOM 0 HE3 LYS A 26 11.729 1.634 -15.338 1.00 53.11 H new ATOM 0 HZ1 LYS A 26 9.998 2.937 -16.380 1.00 30.41 H new ATOM 0 HZ2 LYS A 26 9.328 1.930 -15.188 1.00 30.41 H new ATOM 0 HZ3 LYS A 26 9.532 3.588 -14.883 1.00 30.41 H new ATOM 419 N VAL A 27 10.202 2.148 -9.563 1.00 74.20 N ATOM 420 CA VAL A 27 8.743 2.154 -9.497 1.00 71.03 C ATOM 421 C VAL A 27 8.244 3.317 -8.650 1.00 33.23 C ATOM 422 O VAL A 27 7.073 3.680 -8.709 1.00 34.24 O ATOM 423 CB VAL A 27 8.164 0.829 -8.949 1.00 14.15 C ATOM 424 CG1 VAL A 27 8.720 -0.358 -9.725 1.00 40.22 C ATOM 425 CG2 VAL A 27 8.435 0.681 -7.459 1.00 12.52 C ATOM 0 H VAL A 27 10.650 1.412 -9.017 1.00 74.20 H new ATOM 0 HA VAL A 27 8.391 2.269 -10.522 1.00 71.03 H new ATOM 0 HB VAL A 27 7.083 0.852 -9.085 1.00 14.15 H new ATOM 0 HG11 VAL A 27 8.302 -1.282 -9.326 1.00 40.22 H new ATOM 0 HG12 VAL A 27 8.451 -0.263 -10.777 1.00 40.22 H new ATOM 0 HG13 VAL A 27 9.805 -0.380 -9.628 1.00 40.22 H new ATOM 0 HG21 VAL A 27 8.015 -0.260 -7.105 1.00 12.52 H new ATOM 0 HG22 VAL A 27 9.511 0.688 -7.282 1.00 12.52 H new ATOM 0 HG23 VAL A 27 7.973 1.509 -6.921 1.00 12.52 H new ATOM 435 N ARG A 28 9.151 3.905 -7.881 1.00 1.25 N ATOM 436 CA ARG A 28 8.839 5.057 -7.042 1.00 12.50 C ATOM 437 C ARG A 28 8.200 6.178 -7.865 1.00 22.41 C ATOM 438 O ARG A 28 7.192 6.758 -7.459 1.00 63.45 O ATOM 439 CB ARG A 28 10.121 5.531 -6.341 1.00 51.14 C ATOM 440 CG ARG A 28 10.033 6.889 -5.653 1.00 24.41 C ATOM 441 CD ARG A 28 10.464 8.015 -6.581 1.00 44.34 C ATOM 442 NE ARG A 28 11.672 7.662 -7.327 1.00 4.03 N ATOM 443 CZ ARG A 28 12.608 8.531 -7.701 1.00 12.34 C ATOM 444 NH1 ARG A 28 12.530 9.807 -7.338 1.00 62.51 N ATOM 445 NH2 ARG A 28 13.642 8.107 -8.416 1.00 30.42 N ATOM 0 H ARG A 28 10.122 3.598 -7.820 1.00 1.25 H new ATOM 0 HA ARG A 28 8.111 4.767 -6.284 1.00 12.50 H new ATOM 0 HB2 ARG A 28 10.404 4.785 -5.598 1.00 51.14 H new ATOM 0 HB3 ARG A 28 10.924 5.568 -7.077 1.00 51.14 H new ATOM 0 HG2 ARG A 28 9.010 7.063 -5.319 1.00 24.41 H new ATOM 0 HG3 ARG A 28 10.663 6.888 -4.763 1.00 24.41 H new ATOM 0 HD2 ARG A 28 9.658 8.242 -7.278 1.00 44.34 H new ATOM 0 HD3 ARG A 28 10.646 8.918 -5.999 1.00 44.34 H new ATOM 0 HE ARG A 28 11.806 6.682 -7.578 1.00 4.03 H new ATOM 0 HH11 ARG A 28 11.748 10.128 -6.768 1.00 62.51 H new ATOM 0 HH12 ARG A 28 13.252 10.465 -7.630 1.00 62.51 H new ATOM 0 HH21 ARG A 28 13.714 7.123 -8.674 1.00 30.42 H new ATOM 0 HH22 ARG A 28 14.365 8.765 -8.708 1.00 30.42 H new ATOM 459 N ARG A 29 8.779 6.472 -9.022 1.00 34.13 N ATOM 460 CA ARG A 29 8.246 7.513 -9.892 1.00 12.14 C ATOM 461 C ARG A 29 6.950 7.040 -10.546 1.00 20.52 C ATOM 462 O ARG A 29 6.030 7.823 -10.786 1.00 64.03 O ATOM 463 CB ARG A 29 9.277 7.899 -10.958 1.00 62.00 C ATOM 464 CG ARG A 29 8.878 9.116 -11.780 1.00 64.01 C ATOM 465 CD ARG A 29 9.960 9.497 -12.775 1.00 11.24 C ATOM 466 NE ARG A 29 9.608 10.692 -13.541 1.00 3.22 N ATOM 467 CZ ARG A 29 10.483 11.418 -14.236 1.00 42.02 C ATOM 468 NH1 ARG A 29 11.765 11.072 -14.272 1.00 4.22 N ATOM 469 NH2 ARG A 29 10.072 12.494 -14.891 1.00 11.32 N ATOM 0 H ARG A 29 9.614 6.007 -9.379 1.00 34.13 H new ATOM 0 HA ARG A 29 8.029 8.395 -9.290 1.00 12.14 H new ATOM 0 HB2 ARG A 29 10.233 8.097 -10.472 1.00 62.00 H new ATOM 0 HB3 ARG A 29 9.429 7.053 -11.628 1.00 62.00 H new ATOM 0 HG2 ARG A 29 7.950 8.908 -12.313 1.00 64.01 H new ATOM 0 HG3 ARG A 29 8.682 9.957 -11.115 1.00 64.01 H new ATOM 0 HD2 ARG A 29 10.896 9.670 -12.243 1.00 11.24 H new ATOM 0 HD3 ARG A 29 10.131 8.666 -13.459 1.00 11.24 H new ATOM 0 HE ARG A 29 8.632 10.988 -13.543 1.00 3.22 H new ATOM 0 HH11 ARG A 29 12.085 10.246 -13.766 1.00 4.22 H new ATOM 0 HH12 ARG A 29 12.430 11.632 -14.806 1.00 4.22 H new ATOM 0 HH21 ARG A 29 9.089 12.764 -14.862 1.00 11.32 H new ATOM 0 HH22 ARG A 29 10.739 13.052 -15.424 1.00 11.32 H new ATOM 483 N LYS A 30 6.887 5.742 -10.809 1.00 44.12 N ATOM 484 CA LYS A 30 5.722 5.119 -11.426 1.00 4.50 C ATOM 485 C LYS A 30 4.501 5.241 -10.511 1.00 0.31 C ATOM 486 O LYS A 30 3.392 5.529 -10.961 1.00 60.13 O ATOM 487 CB LYS A 30 6.037 3.648 -11.703 1.00 42.41 C ATOM 488 CG LYS A 30 4.996 2.925 -12.540 1.00 33.12 C ATOM 489 CD LYS A 30 4.366 1.779 -11.765 1.00 62.41 C ATOM 490 CE LYS A 30 3.567 0.863 -12.674 1.00 65.53 C ATOM 491 NZ LYS A 30 3.020 -0.315 -11.947 1.00 14.31 N ATOM 0 H LYS A 30 7.643 5.090 -10.601 1.00 44.12 H new ATOM 0 HA LYS A 30 5.491 5.626 -12.363 1.00 4.50 H new ATOM 0 HB2 LYS A 30 7.000 3.586 -12.211 1.00 42.41 H new ATOM 0 HB3 LYS A 30 6.144 3.128 -10.751 1.00 42.41 H new ATOM 0 HG2 LYS A 30 4.222 3.628 -12.849 1.00 33.12 H new ATOM 0 HG3 LYS A 30 5.459 2.541 -13.449 1.00 33.12 H new ATOM 0 HD2 LYS A 30 5.146 1.206 -11.264 1.00 62.41 H new ATOM 0 HD3 LYS A 30 3.715 2.179 -10.987 1.00 62.41 H new ATOM 0 HE2 LYS A 30 2.747 1.424 -13.122 1.00 65.53 H new ATOM 0 HE3 LYS A 30 4.202 0.521 -13.491 1.00 65.53 H new ATOM 0 HZ1 LYS A 30 2.482 -0.912 -12.608 1.00 14.31 H new ATOM 0 HZ2 LYS A 30 3.803 -0.867 -11.541 1.00 14.31 H new ATOM 0 HZ3 LYS A 30 2.392 0.009 -11.184 1.00 14.31 H new ATOM 505 N ILE A 31 4.724 5.026 -9.224 1.00 64.21 N ATOM 506 CA ILE A 31 3.673 5.150 -8.216 1.00 25.34 C ATOM 507 C ILE A 31 3.172 6.594 -8.124 1.00 74.44 C ATOM 508 O ILE A 31 1.978 6.839 -7.937 1.00 55.22 O ATOM 509 CB ILE A 31 4.184 4.677 -6.836 1.00 74.54 C ATOM 510 CG1 ILE A 31 4.633 3.218 -6.925 1.00 4.23 C ATOM 511 CG2 ILE A 31 3.104 4.838 -5.774 1.00 61.42 C ATOM 512 CD1 ILE A 31 5.355 2.721 -5.692 1.00 3.33 C ATOM 0 H ILE A 31 5.634 4.761 -8.846 1.00 64.21 H new ATOM 0 HA ILE A 31 2.841 4.514 -8.519 1.00 25.34 H new ATOM 0 HB ILE A 31 5.034 5.295 -6.547 1.00 74.54 H new ATOM 0 HG12 ILE A 31 3.760 2.590 -7.100 1.00 4.23 H new ATOM 0 HG13 ILE A 31 5.288 3.102 -7.789 1.00 4.23 H new ATOM 0 HG21 ILE A 31 3.487 4.499 -4.811 1.00 61.42 H new ATOM 0 HG22 ILE A 31 2.819 5.887 -5.701 1.00 61.42 H new ATOM 0 HG23 ILE A 31 2.233 4.243 -6.048 1.00 61.42 H new ATOM 0 HD11 ILE A 31 5.641 1.679 -5.833 1.00 3.33 H new ATOM 0 HD12 ILE A 31 6.248 3.323 -5.526 1.00 3.33 H new ATOM 0 HD13 ILE A 31 4.697 2.803 -4.827 1.00 3.33 H new ATOM 524 N MET A 32 4.086 7.545 -8.282 1.00 31.43 N ATOM 525 CA MET A 32 3.722 8.961 -8.271 1.00 70.21 C ATOM 526 C MET A 32 2.883 9.309 -9.494 1.00 0.53 C ATOM 527 O MET A 32 2.007 10.170 -9.436 1.00 61.00 O ATOM 528 CB MET A 32 4.971 9.841 -8.217 1.00 23.30 C ATOM 529 CG MET A 32 5.729 9.736 -6.905 1.00 73.45 C ATOM 530 SD MET A 32 7.194 10.786 -6.859 1.00 24.21 S ATOM 531 CE MET A 32 7.789 10.447 -5.204 1.00 64.14 C ATOM 0 H MET A 32 5.081 7.365 -8.419 1.00 31.43 H new ATOM 0 HA MET A 32 3.128 9.151 -7.377 1.00 70.21 H new ATOM 0 HB2 MET A 32 5.636 9.565 -9.035 1.00 23.30 H new ATOM 0 HB3 MET A 32 4.682 10.879 -8.378 1.00 23.30 H new ATOM 0 HG2 MET A 32 5.066 10.009 -6.084 1.00 73.45 H new ATOM 0 HG3 MET A 32 6.025 8.699 -6.744 1.00 73.45 H new ATOM 0 HE1 MET A 32 8.695 11.023 -5.018 1.00 64.14 H new ATOM 0 HE2 MET A 32 7.026 10.728 -4.478 1.00 64.14 H new ATOM 0 HE3 MET A 32 8.009 9.384 -5.107 1.00 64.14 H new ATOM 541 N ASP A 33 3.158 8.627 -10.601 1.00 12.44 N ATOM 542 CA ASP A 33 2.366 8.771 -11.820 1.00 32.42 C ATOM 543 C ASP A 33 0.930 8.310 -11.582 1.00 50.22 C ATOM 544 O ASP A 33 -0.016 8.851 -12.159 1.00 0.24 O ATOM 545 CB ASP A 33 3.008 7.967 -12.959 1.00 2.50 C ATOM 546 CG ASP A 33 2.104 7.803 -14.169 1.00 20.23 C ATOM 547 OD1 ASP A 33 2.127 8.675 -15.065 1.00 24.20 O ATOM 548 OD2 ASP A 33 1.378 6.787 -14.237 1.00 54.13 O ATOM 0 H ASP A 33 3.929 7.964 -10.680 1.00 12.44 H new ATOM 0 HA ASP A 33 2.343 9.823 -12.103 1.00 32.42 H new ATOM 0 HB2 ASP A 33 3.929 8.461 -13.268 1.00 2.50 H new ATOM 0 HB3 ASP A 33 3.285 6.981 -12.586 1.00 2.50 H new ATOM 553 N MET A 34 0.773 7.328 -10.702 1.00 21.14 N ATOM 554 CA MET A 34 -0.542 6.784 -10.383 1.00 53.22 C ATOM 555 C MET A 34 -1.318 7.722 -9.461 1.00 3.32 C ATOM 556 O MET A 34 -2.547 7.691 -9.424 1.00 40.13 O ATOM 557 CB MET A 34 -0.414 5.405 -9.734 1.00 61.12 C ATOM 558 CG MET A 34 0.051 4.321 -10.692 1.00 45.01 C ATOM 559 SD MET A 34 -0.073 2.667 -9.985 1.00 1.03 S ATOM 560 CE MET A 34 0.957 2.829 -8.529 1.00 42.13 C ATOM 0 H MET A 34 1.543 6.891 -10.195 1.00 21.14 H new ATOM 0 HA MET A 34 -1.093 6.685 -11.318 1.00 53.22 H new ATOM 0 HB2 MET A 34 0.288 5.468 -8.902 1.00 61.12 H new ATOM 0 HB3 MET A 34 -1.379 5.119 -9.316 1.00 61.12 H new ATOM 0 HG2 MET A 34 -0.545 4.368 -11.604 1.00 45.01 H new ATOM 0 HG3 MET A 34 1.085 4.513 -10.977 1.00 45.01 H new ATOM 0 HE1 MET A 34 0.745 2.011 -7.840 1.00 42.13 H new ATOM 0 HE2 MET A 34 2.007 2.795 -8.820 1.00 42.13 H new ATOM 0 HE3 MET A 34 0.747 3.780 -8.039 1.00 42.13 H new ATOM 570 N GLY A 35 -0.601 8.554 -8.719 1.00 32.25 N ATOM 571 CA GLY A 35 -1.259 9.527 -7.866 1.00 11.41 C ATOM 572 C GLY A 35 -1.137 9.211 -6.389 1.00 71.32 C ATOM 573 O GLY A 35 -2.073 9.437 -5.621 1.00 53.32 O ATOM 0 H GLY A 35 0.418 8.574 -8.691 1.00 32.25 H new ATOM 0 HA2 GLY A 35 -0.833 10.512 -8.056 1.00 11.41 H new ATOM 0 HA3 GLY A 35 -2.314 9.579 -8.133 1.00 11.41 H new ATOM 577 N ILE A 36 0.011 8.685 -5.987 1.00 72.32 N ATOM 578 CA ILE A 36 0.279 8.418 -4.580 1.00 73.34 C ATOM 579 C ILE A 36 1.529 9.169 -4.151 1.00 31.05 C ATOM 580 O ILE A 36 2.524 9.186 -4.878 1.00 54.04 O ATOM 581 CB ILE A 36 0.467 6.911 -4.314 1.00 71.54 C ATOM 582 CG1 ILE A 36 -0.742 6.132 -4.831 1.00 71.42 C ATOM 583 CG2 ILE A 36 0.667 6.652 -2.826 1.00 45.35 C ATOM 584 CD1 ILE A 36 -0.580 4.628 -4.773 1.00 61.41 C ATOM 0 H ILE A 36 0.774 8.434 -6.616 1.00 72.32 H new ATOM 0 HA ILE A 36 -0.581 8.757 -4.002 1.00 73.34 H new ATOM 0 HB ILE A 36 1.357 6.572 -4.844 1.00 71.54 H new ATOM 0 HG12 ILE A 36 -1.619 6.415 -4.249 1.00 71.42 H new ATOM 0 HG13 ILE A 36 -0.936 6.426 -5.862 1.00 71.42 H new ATOM 0 HG21 ILE A 36 0.798 5.583 -2.657 1.00 45.35 H new ATOM 0 HG22 ILE A 36 1.552 7.185 -2.480 1.00 45.35 H new ATOM 0 HG23 ILE A 36 -0.206 7.002 -2.275 1.00 45.35 H new ATOM 0 HD11 ILE A 36 -1.481 4.150 -5.158 1.00 61.41 H new ATOM 0 HD12 ILE A 36 0.276 4.331 -5.379 1.00 61.41 H new ATOM 0 HD13 ILE A 36 -0.418 4.319 -3.740 1.00 61.41 H new ATOM 596 N VAL A 37 1.480 9.797 -2.982 1.00 14.11 N ATOM 597 CA VAL A 37 2.597 10.617 -2.520 1.00 54.43 C ATOM 598 C VAL A 37 2.930 10.369 -1.045 1.00 63.40 C ATOM 599 O VAL A 37 3.824 9.585 -0.728 1.00 42.03 O ATOM 600 CB VAL A 37 2.344 12.128 -2.765 1.00 0.31 C ATOM 601 CG1 VAL A 37 2.682 12.496 -4.203 1.00 20.33 C ATOM 602 CG2 VAL A 37 0.898 12.504 -2.457 1.00 3.52 C ATOM 0 H VAL A 37 0.688 9.756 -2.341 1.00 14.11 H new ATOM 0 HA VAL A 37 3.460 10.313 -3.113 1.00 54.43 H new ATOM 0 HB VAL A 37 2.993 12.688 -2.091 1.00 0.31 H new ATOM 0 HG11 VAL A 37 2.499 13.559 -4.359 1.00 20.33 H new ATOM 0 HG12 VAL A 37 3.732 12.276 -4.398 1.00 20.33 H new ATOM 0 HG13 VAL A 37 2.057 11.917 -4.883 1.00 20.33 H new ATOM 0 HG21 VAL A 37 0.752 13.569 -2.638 1.00 3.52 H new ATOM 0 HG22 VAL A 37 0.229 11.932 -3.099 1.00 3.52 H new ATOM 0 HG23 VAL A 37 0.678 12.280 -1.413 1.00 3.52 H new ATOM 612 N ARG A 38 2.219 11.039 -0.151 1.00 1.23 N ATOM 613 CA ARG A 38 2.443 10.897 1.278 1.00 55.41 C ATOM 614 C ARG A 38 1.179 11.289 2.028 1.00 73.44 C ATOM 615 O ARG A 38 0.483 12.225 1.631 1.00 4.22 O ATOM 616 CB ARG A 38 3.615 11.774 1.728 1.00 5.12 C ATOM 617 CG ARG A 38 4.001 11.571 3.183 1.00 5.20 C ATOM 618 CD ARG A 38 5.011 12.607 3.644 1.00 74.10 C ATOM 619 NE ARG A 38 4.448 13.955 3.632 1.00 12.14 N ATOM 620 CZ ARG A 38 5.014 15.008 4.217 1.00 1.24 C ATOM 621 NH1 ARG A 38 6.166 14.875 4.866 1.00 2.33 N ATOM 622 NH2 ARG A 38 4.417 16.190 4.161 1.00 0.24 N ATOM 0 H ARG A 38 1.475 11.693 -0.394 1.00 1.23 H new ATOM 0 HA ARG A 38 2.689 9.858 1.498 1.00 55.41 H new ATOM 0 HB2 ARG A 38 4.479 11.563 1.098 1.00 5.12 H new ATOM 0 HB3 ARG A 38 3.356 12.821 1.572 1.00 5.12 H new ATOM 0 HG2 ARG A 38 3.110 11.628 3.808 1.00 5.20 H new ATOM 0 HG3 ARG A 38 4.418 10.572 3.313 1.00 5.20 H new ATOM 0 HD2 ARG A 38 5.348 12.363 4.651 1.00 74.10 H new ATOM 0 HD3 ARG A 38 5.888 12.573 2.997 1.00 74.10 H new ATOM 0 HE ARG A 38 3.564 14.098 3.144 1.00 12.14 H new ATOM 0 HH11 ARG A 38 6.620 13.963 4.917 1.00 2.33 H new ATOM 0 HH12 ARG A 38 6.596 15.685 5.313 1.00 2.33 H new ATOM 0 HH21 ARG A 38 3.528 16.290 3.671 1.00 0.24 H new ATOM 0 HH22 ARG A 38 4.847 17.000 4.608 1.00 0.24 H new ATOM 636 N GLY A 39 0.872 10.555 3.090 1.00 73.32 N ATOM 637 CA GLY A 39 -0.346 10.794 3.845 1.00 64.43 C ATOM 638 C GLY A 39 -1.558 10.244 3.127 1.00 30.51 C ATOM 639 O GLY A 39 -2.684 10.343 3.616 1.00 31.51 O ATOM 0 H GLY A 39 1.449 9.792 3.445 1.00 73.32 H new ATOM 0 HA2 GLY A 39 -0.263 10.331 4.828 1.00 64.43 H new ATOM 0 HA3 GLY A 39 -0.472 11.865 4.006 1.00 64.43 H new ATOM 643 N THR A 40 -1.314 9.660 1.963 1.00 23.23 N ATOM 644 CA THR A 40 -2.359 9.052 1.171 1.00 2.24 C ATOM 645 C THR A 40 -2.808 7.752 1.836 1.00 1.04 C ATOM 646 O THR A 40 -1.991 7.036 2.410 1.00 22.44 O ATOM 647 CB THR A 40 -1.840 8.767 -0.246 1.00 65.42 C ATOM 648 OG1 THR A 40 -0.847 9.747 -0.594 1.00 20.32 O ATOM 649 CG2 THR A 40 -2.971 8.821 -1.259 1.00 73.31 C ATOM 0 H THR A 40 -0.385 9.597 1.546 1.00 23.23 H new ATOM 0 HA THR A 40 -3.207 9.733 1.104 1.00 2.24 H new ATOM 0 HB THR A 40 -1.406 7.767 -0.261 1.00 65.42 H new ATOM 0 HG1 THR A 40 -1.138 10.239 -1.390 1.00 20.32 H new ATOM 0 HG21 THR A 40 -2.578 8.616 -2.255 1.00 73.31 H new ATOM 0 HG22 THR A 40 -3.723 8.074 -1.005 1.00 73.31 H new ATOM 0 HG23 THR A 40 -3.425 9.812 -1.245 1.00 73.31 H new ATOM 657 N GLU A 41 -4.094 7.458 1.786 1.00 10.32 N ATOM 658 CA GLU A 41 -4.623 6.284 2.452 1.00 51.54 C ATOM 659 C GLU A 41 -4.940 5.171 1.460 1.00 13.55 C ATOM 660 O GLU A 41 -5.607 5.390 0.448 1.00 14.44 O ATOM 661 CB GLU A 41 -5.863 6.649 3.259 1.00 54.31 C ATOM 662 CG GLU A 41 -6.819 7.583 2.541 1.00 50.03 C ATOM 663 CD GLU A 41 -8.132 7.720 3.271 1.00 73.43 C ATOM 664 OE1 GLU A 41 -8.183 8.449 4.283 1.00 55.12 O ATOM 665 OE2 GLU A 41 -9.116 7.087 2.844 1.00 65.33 O ATOM 0 H GLU A 41 -4.790 8.016 1.292 1.00 10.32 H new ATOM 0 HA GLU A 41 -3.856 5.911 3.130 1.00 51.54 H new ATOM 0 HB2 GLU A 41 -6.395 5.734 3.521 1.00 54.31 H new ATOM 0 HB3 GLU A 41 -5.551 7.115 4.194 1.00 54.31 H new ATOM 0 HG2 GLU A 41 -6.357 8.565 2.438 1.00 50.03 H new ATOM 0 HG3 GLU A 41 -7.002 7.210 1.533 1.00 50.03 H new ATOM 672 N ILE A 42 -4.464 3.979 1.776 1.00 41.00 N ATOM 673 CA ILE A 42 -4.615 2.820 0.910 1.00 1.23 C ATOM 674 C ILE A 42 -5.380 1.707 1.619 1.00 40.13 C ATOM 675 O ILE A 42 -5.042 1.329 2.742 1.00 71.04 O ATOM 676 CB ILE A 42 -3.234 2.274 0.475 1.00 30.50 C ATOM 677 CG1 ILE A 42 -2.539 3.249 -0.479 1.00 54.12 C ATOM 678 CG2 ILE A 42 -3.368 0.900 -0.169 1.00 62.31 C ATOM 679 CD1 ILE A 42 -3.237 3.397 -1.814 1.00 71.51 C ATOM 0 H ILE A 42 -3.961 3.786 2.642 1.00 41.00 H new ATOM 0 HA ILE A 42 -5.173 3.142 0.031 1.00 1.23 H new ATOM 0 HB ILE A 42 -2.619 2.171 1.369 1.00 30.50 H new ATOM 0 HG12 ILE A 42 -2.476 4.227 -0.002 1.00 54.12 H new ATOM 0 HG13 ILE A 42 -1.517 2.910 -0.649 1.00 54.12 H new ATOM 0 HG21 ILE A 42 -2.383 0.539 -0.465 1.00 62.31 H new ATOM 0 HG22 ILE A 42 -3.809 0.205 0.545 1.00 62.31 H new ATOM 0 HG23 ILE A 42 -4.008 0.971 -1.048 1.00 62.31 H new ATOM 0 HD11 ILE A 42 -2.687 4.103 -2.436 1.00 71.51 H new ATOM 0 HD12 ILE A 42 -3.277 2.429 -2.313 1.00 71.51 H new ATOM 0 HD13 ILE A 42 -4.250 3.766 -1.656 1.00 71.51 H new ATOM 691 N TYR A 43 -6.421 1.202 0.972 1.00 14.50 N ATOM 692 CA TYR A 43 -7.117 0.022 1.459 1.00 35.22 C ATOM 693 C TYR A 43 -6.669 -1.195 0.663 1.00 73.24 C ATOM 694 O TYR A 43 -6.803 -1.225 -0.557 1.00 41.44 O ATOM 695 CB TYR A 43 -8.637 0.189 1.336 1.00 51.21 C ATOM 696 CG TYR A 43 -9.420 -0.999 1.857 1.00 63.43 C ATOM 697 CD1 TYR A 43 -9.587 -1.201 3.222 1.00 53.50 C ATOM 698 CD2 TYR A 43 -9.985 -1.922 0.985 1.00 31.31 C ATOM 699 CE1 TYR A 43 -10.290 -2.291 3.704 1.00 75.44 C ATOM 700 CE2 TYR A 43 -10.689 -3.015 1.457 1.00 23.20 C ATOM 701 CZ TYR A 43 -10.842 -3.193 2.817 1.00 71.11 C ATOM 702 OH TYR A 43 -11.541 -4.282 3.290 1.00 42.05 O ATOM 0 H TYR A 43 -6.801 1.591 0.109 1.00 14.50 H new ATOM 0 HA TYR A 43 -6.873 -0.113 2.513 1.00 35.22 H new ATOM 0 HB2 TYR A 43 -8.942 1.082 1.881 1.00 51.21 H new ATOM 0 HB3 TYR A 43 -8.893 0.352 0.289 1.00 51.21 H new ATOM 0 HD1 TYR A 43 -9.160 -0.495 3.919 1.00 53.50 H new ATOM 0 HD2 TYR A 43 -9.872 -1.783 -0.080 1.00 31.31 H new ATOM 0 HE1 TYR A 43 -10.406 -2.435 4.768 1.00 75.44 H new ATOM 0 HE2 TYR A 43 -11.117 -3.725 0.765 1.00 23.20 H new ATOM 0 HH TYR A 43 -11.864 -4.816 2.535 1.00 42.05 H new ATOM 712 N ILE A 44 -6.117 -2.183 1.342 1.00 64.42 N ATOM 713 CA ILE A 44 -5.719 -3.411 0.680 1.00 60.20 C ATOM 714 C ILE A 44 -6.916 -4.348 0.600 1.00 21.24 C ATOM 715 O ILE A 44 -7.291 -4.974 1.589 1.00 15.42 O ATOM 716 CB ILE A 44 -4.539 -4.126 1.394 1.00 1.04 C ATOM 717 CG1 ILE A 44 -3.266 -3.265 1.367 1.00 13.22 C ATOM 718 CG2 ILE A 44 -4.263 -5.477 0.744 1.00 64.12 C ATOM 719 CD1 ILE A 44 -3.248 -2.146 2.386 1.00 41.44 C ATOM 0 H ILE A 44 -5.935 -2.160 2.345 1.00 64.42 H new ATOM 0 HA ILE A 44 -5.371 -3.146 -0.318 1.00 60.20 H new ATOM 0 HB ILE A 44 -4.826 -4.280 2.434 1.00 1.04 H new ATOM 0 HG12 ILE A 44 -2.403 -3.909 1.536 1.00 13.22 H new ATOM 0 HG13 ILE A 44 -3.153 -2.836 0.371 1.00 13.22 H new ATOM 0 HG21 ILE A 44 -3.434 -5.965 1.256 1.00 64.12 H new ATOM 0 HG22 ILE A 44 -5.152 -6.103 0.815 1.00 64.12 H new ATOM 0 HG23 ILE A 44 -4.006 -5.330 -0.305 1.00 64.12 H new ATOM 0 HD11 ILE A 44 -2.315 -1.589 2.298 1.00 41.44 H new ATOM 0 HD12 ILE A 44 -4.089 -1.476 2.206 1.00 41.44 H new ATOM 0 HD13 ILE A 44 -3.327 -2.566 3.389 1.00 41.44 H new ATOM 731 N GLU A 45 -7.533 -4.411 -0.573 1.00 74.15 N ATOM 732 CA GLU A 45 -8.708 -5.243 -0.774 1.00 51.42 C ATOM 733 C GLU A 45 -8.336 -6.714 -0.688 1.00 12.53 C ATOM 734 O GLU A 45 -8.915 -7.475 0.086 1.00 43.35 O ATOM 735 CB GLU A 45 -9.348 -4.950 -2.132 1.00 54.00 C ATOM 736 CG GLU A 45 -9.824 -3.516 -2.292 1.00 73.43 C ATOM 737 CD GLU A 45 -10.605 -3.305 -3.575 1.00 5.22 C ATOM 738 OE1 GLU A 45 -11.793 -3.689 -3.617 1.00 41.20 O ATOM 739 OE2 GLU A 45 -10.042 -2.759 -4.544 1.00 3.21 O ATOM 0 H GLU A 45 -7.237 -3.894 -1.401 1.00 74.15 H new ATOM 0 HA GLU A 45 -9.427 -5.012 0.012 1.00 51.42 H new ATOM 0 HB2 GLU A 45 -8.627 -5.173 -2.918 1.00 54.00 H new ATOM 0 HB3 GLU A 45 -10.194 -5.622 -2.276 1.00 54.00 H new ATOM 0 HG2 GLU A 45 -10.449 -3.247 -1.441 1.00 73.43 H new ATOM 0 HG3 GLU A 45 -8.964 -2.847 -2.280 1.00 73.43 H new ATOM 746 N GLY A 46 -7.347 -7.102 -1.476 1.00 52.51 N ATOM 747 CA GLY A 46 -6.922 -8.479 -1.505 1.00 52.15 C ATOM 748 C GLY A 46 -5.655 -8.657 -2.305 1.00 33.43 C ATOM 749 O GLY A 46 -5.081 -7.686 -2.795 1.00 24.35 O ATOM 0 H GLY A 46 -6.830 -6.482 -2.099 1.00 52.51 H new ATOM 0 HA2 GLY A 46 -6.761 -8.831 -0.486 1.00 52.15 H new ATOM 0 HA3 GLY A 46 -7.713 -9.095 -1.934 1.00 52.15 H new ATOM 753 N LYS A 47 -5.218 -9.895 -2.433 1.00 61.45 N ATOM 754 CA LYS A 47 -4.027 -10.217 -3.193 1.00 62.52 C ATOM 755 C LYS A 47 -4.321 -11.395 -4.103 1.00 24.51 C ATOM 756 O LYS A 47 -5.192 -12.210 -3.795 1.00 0.24 O ATOM 757 CB LYS A 47 -2.879 -10.562 -2.240 1.00 34.11 C ATOM 758 CG LYS A 47 -2.503 -9.426 -1.303 1.00 21.14 C ATOM 759 CD LYS A 47 -1.679 -9.917 -0.126 1.00 53.24 C ATOM 760 CE LYS A 47 -0.376 -10.554 -0.572 1.00 12.12 C ATOM 761 NZ LYS A 47 0.383 -11.105 0.578 1.00 31.43 N ATOM 0 H LYS A 47 -5.678 -10.704 -2.014 1.00 61.45 H new ATOM 0 HA LYS A 47 -3.734 -9.358 -3.796 1.00 62.52 H new ATOM 0 HB2 LYS A 47 -3.159 -11.433 -1.647 1.00 34.11 H new ATOM 0 HB3 LYS A 47 -2.004 -10.843 -2.826 1.00 34.11 H new ATOM 0 HG2 LYS A 47 -1.939 -8.673 -1.853 1.00 21.14 H new ATOM 0 HG3 LYS A 47 -3.408 -8.942 -0.937 1.00 21.14 H new ATOM 0 HD2 LYS A 47 -1.465 -9.082 0.541 1.00 53.24 H new ATOM 0 HD3 LYS A 47 -2.259 -10.641 0.446 1.00 53.24 H new ATOM 0 HE2 LYS A 47 -0.585 -11.350 -1.286 1.00 12.12 H new ATOM 0 HE3 LYS A 47 0.233 -9.813 -1.090 1.00 12.12 H new ATOM 0 HZ1 LYS A 47 1.268 -11.533 0.237 1.00 31.43 H new ATOM 0 HZ2 LYS A 47 0.604 -10.340 1.247 1.00 31.43 H new ATOM 0 HZ3 LYS A 47 -0.190 -11.829 1.057 1.00 31.43 H new ATOM 775 N ALA A 48 -3.620 -11.474 -5.223 1.00 20.30 N ATOM 776 CA ALA A 48 -3.761 -12.608 -6.121 1.00 50.41 C ATOM 777 C ALA A 48 -3.308 -13.881 -5.412 1.00 51.33 C ATOM 778 O ALA A 48 -2.530 -13.809 -4.461 1.00 33.22 O ATOM 779 CB ALA A 48 -2.953 -12.379 -7.391 1.00 32.02 C ATOM 0 H ALA A 48 -2.950 -10.769 -5.531 1.00 20.30 H new ATOM 0 HA ALA A 48 -4.808 -12.717 -6.402 1.00 50.41 H new ATOM 0 HB1 ALA A 48 -3.068 -13.236 -8.055 1.00 32.02 H new ATOM 0 HB2 ALA A 48 -3.312 -11.481 -7.893 1.00 32.02 H new ATOM 0 HB3 ALA A 48 -1.901 -12.256 -7.135 1.00 32.02 H new ATOM 785 N PRO A 49 -3.789 -15.060 -5.850 1.00 21.44 N ATOM 786 CA PRO A 49 -3.438 -16.345 -5.225 1.00 23.42 C ATOM 787 C PRO A 49 -1.931 -16.526 -5.025 1.00 13.02 C ATOM 788 O PRO A 49 -1.494 -17.182 -4.079 1.00 60.24 O ATOM 789 CB PRO A 49 -3.971 -17.374 -6.223 1.00 42.42 C ATOM 790 CG PRO A 49 -5.112 -16.690 -6.894 1.00 50.30 C ATOM 791 CD PRO A 49 -4.737 -15.234 -6.972 1.00 31.42 C ATOM 0 HA PRO A 49 -3.858 -16.432 -4.223 1.00 23.42 H new ATOM 0 HB2 PRO A 49 -3.204 -17.664 -6.942 1.00 42.42 H new ATOM 0 HB3 PRO A 49 -4.295 -18.284 -5.719 1.00 42.42 H new ATOM 0 HG2 PRO A 49 -5.284 -17.102 -7.888 1.00 50.30 H new ATOM 0 HG3 PRO A 49 -6.034 -16.825 -6.329 1.00 50.30 H new ATOM 0 HD2 PRO A 49 -4.276 -14.989 -7.929 1.00 31.42 H new ATOM 0 HD3 PRO A 49 -5.609 -14.589 -6.864 1.00 31.42 H new ATOM 799 N MET A 50 -1.139 -15.922 -5.906 1.00 14.41 N ATOM 800 CA MET A 50 0.315 -16.060 -5.851 1.00 12.23 C ATOM 801 C MET A 50 0.955 -14.959 -5.009 1.00 71.10 C ATOM 802 O MET A 50 2.176 -14.905 -4.872 1.00 64.44 O ATOM 803 CB MET A 50 0.903 -16.034 -7.263 1.00 40.11 C ATOM 804 CG MET A 50 0.524 -17.231 -8.130 1.00 42.44 C ATOM 805 SD MET A 50 1.190 -18.796 -7.523 1.00 71.51 S ATOM 806 CE MET A 50 0.016 -19.231 -6.241 1.00 63.10 C ATOM 0 H MET A 50 -1.478 -15.333 -6.666 1.00 14.41 H new ATOM 0 HA MET A 50 0.535 -17.018 -5.380 1.00 12.23 H new ATOM 0 HB2 MET A 50 0.576 -15.122 -7.762 1.00 40.11 H new ATOM 0 HB3 MET A 50 1.989 -15.985 -7.189 1.00 40.11 H new ATOM 0 HG2 MET A 50 -0.562 -17.303 -8.182 1.00 42.44 H new ATOM 0 HG3 MET A 50 0.881 -17.062 -9.146 1.00 42.44 H new ATOM 0 HE1 MET A 50 -0.179 -20.303 -6.275 1.00 63.10 H new ATOM 0 HE2 MET A 50 0.427 -18.967 -5.267 1.00 63.10 H new ATOM 0 HE3 MET A 50 -0.915 -18.688 -6.401 1.00 63.10 H new ATOM 816 N GLY A 51 0.134 -14.081 -4.452 1.00 64.03 N ATOM 817 CA GLY A 51 0.648 -12.980 -3.656 1.00 1.31 C ATOM 818 C GLY A 51 0.990 -11.775 -4.508 1.00 22.05 C ATOM 819 O GLY A 51 1.274 -10.695 -3.991 1.00 63.22 O ATOM 0 H GLY A 51 -0.882 -14.110 -4.536 1.00 64.03 H new ATOM 0 HA2 GLY A 51 -0.093 -12.697 -2.908 1.00 1.31 H new ATOM 0 HA3 GLY A 51 1.537 -13.307 -3.117 1.00 1.31 H new ATOM 823 N ASP A 52 0.954 -11.968 -5.817 1.00 3.23 N ATOM 824 CA ASP A 52 1.280 -10.919 -6.772 1.00 2.14 C ATOM 825 C ASP A 52 0.384 -11.044 -7.997 1.00 54.20 C ATOM 826 O ASP A 52 0.243 -12.135 -8.550 1.00 74.53 O ATOM 827 CB ASP A 52 2.752 -11.020 -7.185 1.00 32.04 C ATOM 828 CG ASP A 52 3.120 -10.053 -8.294 1.00 13.00 C ATOM 829 OD1 ASP A 52 3.272 -8.851 -8.012 1.00 71.42 O ATOM 830 OD2 ASP A 52 3.279 -10.498 -9.451 1.00 11.22 O ATOM 0 H ASP A 52 0.698 -12.856 -6.248 1.00 3.23 H new ATOM 0 HA ASP A 52 1.114 -9.948 -6.305 1.00 2.14 H new ATOM 0 HB2 ASP A 52 3.382 -10.827 -6.317 1.00 32.04 H new ATOM 0 HB3 ASP A 52 2.964 -12.038 -7.512 1.00 32.04 H new ATOM 835 N PRO A 53 -0.249 -9.945 -8.434 1.00 2.21 N ATOM 836 CA PRO A 53 -0.116 -8.632 -7.802 1.00 52.40 C ATOM 837 C PRO A 53 -1.059 -8.446 -6.608 1.00 5.41 C ATOM 838 O PRO A 53 -1.691 -9.398 -6.137 1.00 11.41 O ATOM 839 CB PRO A 53 -0.497 -7.687 -8.939 1.00 21.50 C ATOM 840 CG PRO A 53 -1.515 -8.443 -9.722 1.00 64.13 C ATOM 841 CD PRO A 53 -1.148 -9.901 -9.603 1.00 5.02 C ATOM 0 HA PRO A 53 0.879 -8.469 -7.388 1.00 52.40 H new ATOM 0 HB2 PRO A 53 -0.904 -6.750 -8.558 1.00 21.50 H new ATOM 0 HB3 PRO A 53 0.368 -7.433 -9.552 1.00 21.50 H new ATOM 0 HG2 PRO A 53 -2.517 -8.262 -9.333 1.00 64.13 H new ATOM 0 HG3 PRO A 53 -1.516 -8.127 -10.765 1.00 64.13 H new ATOM 0 HD2 PRO A 53 -2.030 -10.524 -9.453 1.00 5.02 H new ATOM 0 HD3 PRO A 53 -0.651 -10.263 -10.503 1.00 5.02 H new ATOM 849 N ILE A 54 -1.151 -7.210 -6.128 1.00 4.13 N ATOM 850 CA ILE A 54 -1.984 -6.882 -4.977 1.00 71.31 C ATOM 851 C ILE A 54 -3.056 -5.867 -5.371 1.00 52.25 C ATOM 852 O ILE A 54 -2.808 -4.975 -6.186 1.00 71.13 O ATOM 853 CB ILE A 54 -1.129 -6.309 -3.819 1.00 51.52 C ATOM 854 CG1 ILE A 54 -0.014 -7.293 -3.447 1.00 11.31 C ATOM 855 CG2 ILE A 54 -1.997 -6.012 -2.603 1.00 2.43 C ATOM 856 CD1 ILE A 54 0.910 -6.790 -2.356 1.00 35.44 C ATOM 0 H ILE A 54 -0.653 -6.412 -6.523 1.00 4.13 H new ATOM 0 HA ILE A 54 -2.462 -7.800 -4.637 1.00 71.31 H new ATOM 0 HB ILE A 54 -0.678 -5.375 -4.155 1.00 51.52 H new ATOM 0 HG12 ILE A 54 -0.464 -8.232 -3.124 1.00 11.31 H new ATOM 0 HG13 ILE A 54 0.576 -7.512 -4.337 1.00 11.31 H new ATOM 0 HG21 ILE A 54 -1.376 -5.611 -1.802 1.00 2.43 H new ATOM 0 HG22 ILE A 54 -2.761 -5.282 -2.871 1.00 2.43 H new ATOM 0 HG23 ILE A 54 -2.476 -6.931 -2.265 1.00 2.43 H new ATOM 0 HD11 ILE A 54 1.672 -7.542 -2.149 1.00 35.44 H new ATOM 0 HD12 ILE A 54 1.390 -5.867 -2.682 1.00 35.44 H new ATOM 0 HD13 ILE A 54 0.334 -6.599 -1.451 1.00 35.44 H new ATOM 868 N ALA A 55 -4.248 -6.011 -4.800 1.00 3.22 N ATOM 869 CA ALA A 55 -5.356 -5.113 -5.089 1.00 73.40 C ATOM 870 C ALA A 55 -5.495 -4.056 -3.999 1.00 65.14 C ATOM 871 O ALA A 55 -5.841 -4.366 -2.857 1.00 70.34 O ATOM 872 CB ALA A 55 -6.654 -5.895 -5.232 1.00 64.42 C ATOM 0 H ALA A 55 -4.470 -6.747 -4.130 1.00 3.22 H new ATOM 0 HA ALA A 55 -5.146 -4.609 -6.032 1.00 73.40 H new ATOM 0 HB1 ALA A 55 -7.471 -5.207 -5.448 1.00 64.42 H new ATOM 0 HB2 ALA A 55 -6.559 -6.612 -6.047 1.00 64.42 H new ATOM 0 HB3 ALA A 55 -6.863 -6.426 -4.304 1.00 64.42 H new ATOM 878 N LEU A 56 -5.209 -2.818 -4.358 1.00 42.12 N ATOM 879 CA LEU A 56 -5.321 -1.694 -3.443 1.00 22.04 C ATOM 880 C LEU A 56 -6.556 -0.877 -3.804 1.00 61.44 C ATOM 881 O LEU A 56 -7.183 -1.127 -4.826 1.00 0.11 O ATOM 882 CB LEU A 56 -4.072 -0.796 -3.519 1.00 22.13 C ATOM 883 CG LEU A 56 -2.749 -1.419 -3.035 1.00 51.43 C ATOM 884 CD1 LEU A 56 -2.267 -2.510 -3.978 1.00 71.12 C ATOM 885 CD2 LEU A 56 -1.682 -0.345 -2.895 1.00 20.40 C ATOM 0 H LEU A 56 -4.892 -2.562 -5.293 1.00 42.12 H new ATOM 0 HA LEU A 56 -5.407 -2.078 -2.427 1.00 22.04 H new ATOM 0 HB2 LEU A 56 -3.942 -0.479 -4.554 1.00 22.13 H new ATOM 0 HB3 LEU A 56 -4.261 0.103 -2.932 1.00 22.13 H new ATOM 0 HG LEU A 56 -2.934 -1.873 -2.062 1.00 51.43 H new ATOM 0 HD11 LEU A 56 -1.331 -2.926 -3.605 1.00 71.12 H new ATOM 0 HD12 LEU A 56 -3.018 -3.298 -4.036 1.00 71.12 H new ATOM 0 HD13 LEU A 56 -2.106 -2.088 -4.970 1.00 71.12 H new ATOM 0 HD21 LEU A 56 -0.752 -0.799 -2.552 1.00 20.40 H new ATOM 0 HD22 LEU A 56 -1.518 0.133 -3.861 1.00 20.40 H new ATOM 0 HD23 LEU A 56 -2.010 0.401 -2.171 1.00 20.40 H new ATOM 897 N ARG A 57 -6.903 0.089 -2.974 1.00 24.33 N ATOM 898 CA ARG A 57 -8.023 0.974 -3.264 1.00 2.44 C ATOM 899 C ARG A 57 -7.776 2.328 -2.609 1.00 2.14 C ATOM 900 O ARG A 57 -7.460 2.405 -1.419 1.00 75.22 O ATOM 901 CB ARG A 57 -9.334 0.362 -2.757 1.00 2.25 C ATOM 902 CG ARG A 57 -10.585 0.905 -3.428 1.00 2.43 C ATOM 903 CD ARG A 57 -11.829 0.208 -2.904 1.00 41.23 C ATOM 904 NE ARG A 57 -13.057 0.725 -3.507 1.00 34.23 N ATOM 905 CZ ARG A 57 -14.120 1.120 -2.803 1.00 1.44 C ATOM 906 NH1 ARG A 57 -14.099 1.072 -1.477 1.00 51.25 N ATOM 907 NH2 ARG A 57 -15.201 1.564 -3.429 1.00 11.53 N ATOM 0 H ARG A 57 -6.427 0.283 -2.093 1.00 24.33 H new ATOM 0 HA ARG A 57 -8.108 1.107 -4.342 1.00 2.44 H new ATOM 0 HB2 ARG A 57 -9.297 -0.717 -2.905 1.00 2.25 H new ATOM 0 HB3 ARG A 57 -9.409 0.534 -1.683 1.00 2.25 H new ATOM 0 HG2 ARG A 57 -10.662 1.977 -3.249 1.00 2.43 H new ATOM 0 HG3 ARG A 57 -10.513 0.766 -4.507 1.00 2.43 H new ATOM 0 HD2 ARG A 57 -11.753 -0.861 -3.102 1.00 41.23 H new ATOM 0 HD3 ARG A 57 -11.881 0.329 -1.822 1.00 41.23 H new ATOM 0 HE ARG A 57 -13.104 0.787 -4.524 1.00 34.23 H new ATOM 0 HH11 ARG A 57 -13.268 0.732 -0.992 1.00 51.25 H new ATOM 0 HH12 ARG A 57 -14.913 1.375 -0.943 1.00 51.25 H new ATOM 0 HH21 ARG A 57 -15.220 1.604 -4.448 1.00 11.53 H new ATOM 0 HH22 ARG A 57 -16.014 1.866 -2.892 1.00 11.53 H new ATOM 921 N LEU A 58 -7.901 3.385 -3.396 1.00 45.14 N ATOM 922 CA LEU A 58 -7.606 4.729 -2.933 1.00 41.40 C ATOM 923 C LEU A 58 -8.736 5.664 -3.315 1.00 74.51 C ATOM 924 O LEU A 58 -9.251 5.609 -4.434 1.00 31.15 O ATOM 925 CB LEU A 58 -6.304 5.210 -3.565 1.00 11.31 C ATOM 926 CG LEU A 58 -5.405 6.122 -2.719 1.00 62.14 C ATOM 927 CD1 LEU A 58 -4.138 6.451 -3.491 1.00 63.11 C ATOM 928 CD2 LEU A 58 -6.112 7.403 -2.316 1.00 13.25 C ATOM 0 H LEU A 58 -8.208 3.335 -4.367 1.00 45.14 H new ATOM 0 HA LEU A 58 -7.501 4.722 -1.848 1.00 41.40 H new ATOM 0 HB2 LEU A 58 -5.723 4.333 -3.849 1.00 11.31 H new ATOM 0 HB3 LEU A 58 -6.551 5.740 -4.485 1.00 11.31 H new ATOM 0 HG LEU A 58 -5.154 5.585 -1.805 1.00 62.14 H new ATOM 0 HD11 LEU A 58 -3.502 7.099 -2.887 1.00 63.11 H new ATOM 0 HD12 LEU A 58 -3.603 5.530 -3.722 1.00 63.11 H new ATOM 0 HD13 LEU A 58 -4.399 6.961 -4.418 1.00 63.11 H new ATOM 0 HD21 LEU A 58 -5.439 8.018 -1.719 1.00 13.25 H new ATOM 0 HD22 LEU A 58 -6.408 7.952 -3.210 1.00 13.25 H new ATOM 0 HD23 LEU A 58 -6.998 7.160 -1.729 1.00 13.25 H new ATOM 940 N ARG A 59 -9.091 6.515 -2.374 1.00 43.05 N ATOM 941 CA ARG A 59 -10.152 7.516 -2.547 1.00 31.22 C ATOM 942 C ARG A 59 -11.506 6.861 -2.832 1.00 44.21 C ATOM 943 O ARG A 59 -12.339 6.723 -1.935 1.00 41.01 O ATOM 944 CB ARG A 59 -9.787 8.509 -3.658 1.00 32.45 C ATOM 945 CG ARG A 59 -8.629 9.422 -3.290 1.00 34.10 C ATOM 946 CD ARG A 59 -8.069 10.157 -4.495 1.00 23.24 C ATOM 947 NE ARG A 59 -6.962 11.038 -4.120 1.00 33.02 N ATOM 948 CZ ARG A 59 -5.755 11.015 -4.691 1.00 3.45 C ATOM 949 NH1 ARG A 59 -5.484 10.150 -5.665 1.00 53.21 N ATOM 950 NH2 ARG A 59 -4.820 11.865 -4.290 1.00 24.55 N ATOM 0 H ARG A 59 -8.653 6.540 -1.453 1.00 43.05 H new ATOM 0 HA ARG A 59 -10.242 8.063 -1.609 1.00 31.22 H new ATOM 0 HB2 ARG A 59 -9.531 7.955 -4.561 1.00 32.45 H new ATOM 0 HB3 ARG A 59 -10.660 9.118 -3.893 1.00 32.45 H new ATOM 0 HG2 ARG A 59 -8.963 10.147 -2.548 1.00 34.10 H new ATOM 0 HG3 ARG A 59 -7.838 8.833 -2.827 1.00 34.10 H new ATOM 0 HD2 ARG A 59 -7.726 9.435 -5.236 1.00 23.24 H new ATOM 0 HD3 ARG A 59 -8.859 10.743 -4.964 1.00 23.24 H new ATOM 0 HE ARG A 59 -7.123 11.714 -3.373 1.00 33.02 H new ATOM 0 HH11 ARG A 59 -6.201 9.497 -5.981 1.00 53.21 H new ATOM 0 HH12 ARG A 59 -4.559 10.140 -6.095 1.00 53.21 H new ATOM 0 HH21 ARG A 59 -5.024 12.534 -3.547 1.00 24.55 H new ATOM 0 HH22 ARG A 59 -3.897 11.850 -4.724 1.00 24.55 H new ATOM 964 N GLY A 60 -11.718 6.466 -4.077 1.00 3.31 N ATOM 965 CA GLY A 60 -12.946 5.797 -4.448 1.00 53.32 C ATOM 966 C GLY A 60 -12.724 4.791 -5.558 1.00 13.15 C ATOM 967 O GLY A 60 -13.676 4.324 -6.185 1.00 74.25 O ATOM 0 H GLY A 60 -11.056 6.598 -4.842 1.00 3.31 H new ATOM 0 HA2 GLY A 60 -13.362 5.291 -3.577 1.00 53.32 H new ATOM 0 HA3 GLY A 60 -13.680 6.536 -4.768 1.00 53.32 H new ATOM 971 N TYR A 61 -11.464 4.453 -5.802 1.00 42.33 N ATOM 972 CA TYR A 61 -11.122 3.531 -6.873 1.00 13.41 C ATOM 973 C TYR A 61 -10.023 2.575 -6.465 1.00 43.41 C ATOM 974 O TYR A 61 -9.127 2.913 -5.699 1.00 73.43 O ATOM 975 CB TYR A 61 -10.695 4.279 -8.137 1.00 61.43 C ATOM 976 CG TYR A 61 -9.707 5.404 -7.889 1.00 73.11 C ATOM 977 CD1 TYR A 61 -8.336 5.170 -7.911 1.00 24.02 C ATOM 978 CD2 TYR A 61 -10.143 6.696 -7.621 1.00 13.45 C ATOM 979 CE1 TYR A 61 -7.432 6.189 -7.675 1.00 10.00 C ATOM 980 CE2 TYR A 61 -9.245 7.720 -7.387 1.00 5.35 C ATOM 981 CZ TYR A 61 -7.894 7.461 -7.412 1.00 1.13 C ATOM 982 OH TYR A 61 -7.000 8.477 -7.167 1.00 25.31 O ATOM 0 H TYR A 61 -10.665 4.803 -5.273 1.00 42.33 H new ATOM 0 HA TYR A 61 -12.024 2.956 -7.084 1.00 13.41 H new ATOM 0 HB2 TYR A 61 -10.252 3.568 -8.834 1.00 61.43 H new ATOM 0 HB3 TYR A 61 -11.582 4.689 -8.620 1.00 61.43 H new ATOM 0 HD1 TYR A 61 -7.971 4.174 -8.116 1.00 24.02 H new ATOM 0 HD2 TYR A 61 -11.203 6.904 -7.595 1.00 13.45 H new ATOM 0 HE1 TYR A 61 -6.371 5.990 -7.697 1.00 10.00 H new ATOM 0 HE2 TYR A 61 -9.602 8.719 -7.185 1.00 5.35 H new ATOM 0 HH TYR A 61 -7.384 9.329 -7.462 1.00 25.31 H new ATOM 992 N SER A 62 -10.126 1.379 -6.986 1.00 1.10 N ATOM 993 CA SER A 62 -9.132 0.344 -6.784 1.00 72.51 C ATOM 994 C SER A 62 -7.878 0.632 -7.609 1.00 21.15 C ATOM 995 O SER A 62 -7.934 1.320 -8.628 1.00 2.31 O ATOM 996 CB SER A 62 -9.727 -1.012 -7.172 1.00 61.22 C ATOM 997 OG SER A 62 -8.827 -2.078 -6.921 1.00 63.14 O ATOM 0 H SER A 62 -10.910 1.088 -7.570 1.00 1.10 H new ATOM 0 HA SER A 62 -8.845 0.325 -5.733 1.00 72.51 H new ATOM 0 HB2 SER A 62 -10.649 -1.177 -6.614 1.00 61.22 H new ATOM 0 HB3 SER A 62 -9.992 -1.003 -8.229 1.00 61.22 H new ATOM 0 HG SER A 62 -9.061 -2.511 -6.073 1.00 63.14 H new ATOM 1003 N LEU A 63 -6.757 0.097 -7.157 1.00 24.42 N ATOM 1004 CA LEU A 63 -5.478 0.256 -7.835 1.00 71.13 C ATOM 1005 C LEU A 63 -4.716 -1.059 -7.792 1.00 53.14 C ATOM 1006 O LEU A 63 -4.735 -1.755 -6.781 1.00 21.24 O ATOM 1007 CB LEU A 63 -4.638 1.355 -7.175 1.00 52.42 C ATOM 1008 CG LEU A 63 -5.185 2.777 -7.309 1.00 21.34 C ATOM 1009 CD1 LEU A 63 -4.347 3.750 -6.495 1.00 54.33 C ATOM 1010 CD2 LEU A 63 -5.218 3.201 -8.769 1.00 11.54 C ATOM 0 H LEU A 63 -6.706 -0.463 -6.306 1.00 24.42 H new ATOM 0 HA LEU A 63 -5.669 0.543 -8.869 1.00 71.13 H new ATOM 0 HB2 LEU A 63 -4.537 1.122 -6.115 1.00 52.42 H new ATOM 0 HB3 LEU A 63 -3.636 1.329 -7.604 1.00 52.42 H new ATOM 0 HG LEU A 63 -6.204 2.790 -6.922 1.00 21.34 H new ATOM 0 HD11 LEU A 63 -4.751 4.757 -6.603 1.00 54.33 H new ATOM 0 HD12 LEU A 63 -4.370 3.460 -5.445 1.00 54.33 H new ATOM 0 HD13 LEU A 63 -3.318 3.732 -6.854 1.00 54.33 H new ATOM 0 HD21 LEU A 63 -5.610 4.215 -8.845 1.00 11.54 H new ATOM 0 HD22 LEU A 63 -4.209 3.171 -9.180 1.00 11.54 H new ATOM 0 HD23 LEU A 63 -5.859 2.522 -9.331 1.00 11.54 H new ATOM 1022 N SER A 64 -4.053 -1.404 -8.878 1.00 53.10 N ATOM 1023 CA SER A 64 -3.313 -2.653 -8.937 1.00 43.35 C ATOM 1024 C SER A 64 -1.830 -2.391 -9.171 1.00 31.33 C ATOM 1025 O SER A 64 -1.457 -1.625 -10.062 1.00 53.54 O ATOM 1026 CB SER A 64 -3.878 -3.555 -10.038 1.00 62.42 C ATOM 1027 OG SER A 64 -3.301 -4.851 -10.001 1.00 62.44 O ATOM 0 H SER A 64 -4.010 -0.842 -9.728 1.00 53.10 H new ATOM 0 HA SER A 64 -3.422 -3.162 -7.980 1.00 43.35 H new ATOM 0 HB2 SER A 64 -4.959 -3.634 -9.925 1.00 62.42 H new ATOM 0 HB3 SER A 64 -3.692 -3.101 -11.012 1.00 62.42 H new ATOM 0 HG SER A 64 -3.685 -5.401 -10.716 1.00 62.44 H new ATOM 1033 N LEU A 65 -0.999 -3.012 -8.348 1.00 72.55 N ATOM 1034 CA LEU A 65 0.443 -2.913 -8.485 1.00 51.33 C ATOM 1035 C LEU A 65 1.104 -4.233 -8.107 1.00 40.21 C ATOM 1036 O LEU A 65 0.476 -5.094 -7.487 1.00 40.31 O ATOM 1037 CB LEU A 65 0.994 -1.754 -7.644 1.00 1.32 C ATOM 1038 CG LEU A 65 0.494 -1.661 -6.195 1.00 31.34 C ATOM 1039 CD1 LEU A 65 1.179 -2.685 -5.298 1.00 52.32 C ATOM 1040 CD2 LEU A 65 0.707 -0.255 -5.659 1.00 42.11 C ATOM 0 H LEU A 65 -1.305 -3.596 -7.570 1.00 72.55 H new ATOM 0 HA LEU A 65 0.678 -2.703 -9.529 1.00 51.33 H new ATOM 0 HB2 LEU A 65 2.081 -1.833 -7.625 1.00 1.32 H new ATOM 0 HB3 LEU A 65 0.750 -0.820 -8.150 1.00 1.32 H new ATOM 0 HG LEU A 65 -0.573 -1.886 -6.192 1.00 31.34 H new ATOM 0 HD11 LEU A 65 0.800 -2.589 -4.281 1.00 52.32 H new ATOM 0 HD12 LEU A 65 0.973 -3.689 -5.669 1.00 52.32 H new ATOM 0 HD13 LEU A 65 2.255 -2.510 -5.302 1.00 52.32 H new ATOM 0 HD21 LEU A 65 0.349 -0.199 -4.631 1.00 42.11 H new ATOM 0 HD22 LEU A 65 1.769 -0.012 -5.687 1.00 42.11 H new ATOM 0 HD23 LEU A 65 0.156 0.456 -6.274 1.00 42.11 H new ATOM 1052 N ARG A 66 2.365 -4.385 -8.481 1.00 20.44 N ATOM 1053 CA ARG A 66 3.087 -5.626 -8.247 1.00 44.25 C ATOM 1054 C ARG A 66 3.670 -5.680 -6.838 1.00 31.14 C ATOM 1055 O ARG A 66 3.873 -4.653 -6.188 1.00 43.30 O ATOM 1056 CB ARG A 66 4.201 -5.800 -9.283 1.00 51.31 C ATOM 1057 CG ARG A 66 3.689 -6.032 -10.698 1.00 54.12 C ATOM 1058 CD ARG A 66 2.877 -7.316 -10.790 1.00 2.21 C ATOM 1059 NE ARG A 66 2.424 -7.595 -12.154 1.00 24.44 N ATOM 1060 CZ ARG A 66 2.097 -8.812 -12.593 1.00 61.02 C ATOM 1061 NH1 ARG A 66 2.208 -9.867 -11.795 1.00 25.20 N ATOM 1062 NH2 ARG A 66 1.684 -8.977 -13.840 1.00 42.41 N ATOM 0 H ARG A 66 2.911 -3.662 -8.949 1.00 20.44 H new ATOM 0 HA ARG A 66 2.374 -6.444 -8.347 1.00 44.25 H new ATOM 0 HB2 ARG A 66 4.834 -4.912 -9.276 1.00 51.31 H new ATOM 0 HB3 ARG A 66 4.829 -6.642 -8.991 1.00 51.31 H new ATOM 0 HG2 ARG A 66 3.073 -5.187 -11.007 1.00 54.12 H new ATOM 0 HG3 ARG A 66 4.531 -6.082 -11.388 1.00 54.12 H new ATOM 0 HD2 ARG A 66 3.481 -8.150 -10.433 1.00 2.21 H new ATOM 0 HD3 ARG A 66 2.012 -7.243 -10.131 1.00 2.21 H new ATOM 0 HE ARG A 66 2.354 -6.814 -12.806 1.00 24.44 H new ATOM 0 HH11 ARG A 66 2.545 -9.750 -10.839 1.00 25.20 H new ATOM 0 HH12 ARG A 66 1.956 -10.794 -12.137 1.00 25.20 H new ATOM 0 HH21 ARG A 66 1.616 -8.174 -14.465 1.00 42.41 H new ATOM 0 HH22 ARG A 66 1.434 -9.907 -14.176 1.00 42.41 H new ATOM 1076 N LYS A 67 3.944 -6.897 -6.393 1.00 40.11 N ATOM 1077 CA LYS A 67 4.503 -7.162 -5.073 1.00 55.43 C ATOM 1078 C LYS A 67 5.805 -6.387 -4.860 1.00 32.52 C ATOM 1079 O LYS A 67 6.055 -5.856 -3.777 1.00 53.11 O ATOM 1080 CB LYS A 67 4.728 -8.676 -4.942 1.00 71.33 C ATOM 1081 CG LYS A 67 5.138 -9.174 -3.560 1.00 54.44 C ATOM 1082 CD LYS A 67 6.625 -8.984 -3.294 1.00 72.44 C ATOM 1083 CE LYS A 67 7.124 -9.942 -2.226 1.00 15.32 C ATOM 1084 NZ LYS A 67 7.076 -11.354 -2.691 1.00 23.05 N ATOM 0 H LYS A 67 3.783 -7.740 -6.944 1.00 40.11 H new ATOM 0 HA LYS A 67 3.809 -6.826 -4.303 1.00 55.43 H new ATOM 0 HB2 LYS A 67 3.810 -9.186 -5.232 1.00 71.33 H new ATOM 0 HB3 LYS A 67 5.497 -8.972 -5.656 1.00 71.33 H new ATOM 0 HG2 LYS A 67 4.565 -8.643 -2.800 1.00 54.44 H new ATOM 0 HG3 LYS A 67 4.887 -10.231 -3.468 1.00 54.44 H new ATOM 0 HD2 LYS A 67 7.184 -9.142 -4.216 1.00 72.44 H new ATOM 0 HD3 LYS A 67 6.812 -7.957 -2.980 1.00 72.44 H new ATOM 0 HE2 LYS A 67 8.147 -9.683 -1.953 1.00 15.32 H new ATOM 0 HE3 LYS A 67 6.517 -9.834 -1.327 1.00 15.32 H new ATOM 0 HZ1 LYS A 67 7.764 -11.920 -2.154 1.00 23.05 H new ATOM 0 HZ2 LYS A 67 6.121 -11.736 -2.541 1.00 23.05 H new ATOM 0 HZ3 LYS A 67 7.310 -11.394 -3.703 1.00 23.05 H new ATOM 1098 N SER A 68 6.622 -6.312 -5.903 1.00 33.14 N ATOM 1099 CA SER A 68 7.901 -5.620 -5.828 1.00 73.34 C ATOM 1100 C SER A 68 7.707 -4.122 -5.602 1.00 74.32 C ATOM 1101 O SER A 68 8.487 -3.486 -4.897 1.00 25.40 O ATOM 1102 CB SER A 68 8.694 -5.860 -7.110 1.00 45.54 C ATOM 1103 OG SER A 68 8.777 -7.249 -7.396 1.00 51.22 O ATOM 0 H SER A 68 6.420 -6.724 -6.814 1.00 33.14 H new ATOM 0 HA SER A 68 8.456 -6.018 -4.979 1.00 73.34 H new ATOM 0 HB2 SER A 68 8.217 -5.340 -7.941 1.00 45.54 H new ATOM 0 HB3 SER A 68 9.696 -5.444 -7.007 1.00 45.54 H new ATOM 0 HG SER A 68 9.287 -7.383 -8.222 1.00 51.22 H new ATOM 1109 N GLU A 69 6.646 -3.574 -6.178 1.00 11.22 N ATOM 1110 CA GLU A 69 6.351 -2.151 -6.057 1.00 70.22 C ATOM 1111 C GLU A 69 5.818 -1.851 -4.667 1.00 43.13 C ATOM 1112 O GLU A 69 6.061 -0.786 -4.107 1.00 23.33 O ATOM 1113 CB GLU A 69 5.336 -1.750 -7.123 1.00 50.21 C ATOM 1114 CG GLU A 69 5.740 -2.194 -8.518 1.00 5.15 C ATOM 1115 CD GLU A 69 4.750 -1.778 -9.581 1.00 42.42 C ATOM 1116 OE1 GLU A 69 3.679 -2.405 -9.685 1.00 11.42 O ATOM 1117 OE2 GLU A 69 5.046 -0.830 -10.327 1.00 74.40 O ATOM 0 H GLU A 69 5.971 -4.096 -6.737 1.00 11.22 H new ATOM 0 HA GLU A 69 7.263 -1.573 -6.207 1.00 70.22 H new ATOM 0 HB2 GLU A 69 4.366 -2.182 -6.876 1.00 50.21 H new ATOM 0 HB3 GLU A 69 5.214 -0.667 -7.113 1.00 50.21 H new ATOM 0 HG2 GLU A 69 6.718 -1.776 -8.757 1.00 5.15 H new ATOM 0 HG3 GLU A 69 5.845 -3.279 -8.532 1.00 5.15 H new ATOM 1124 N ALA A 70 5.102 -2.820 -4.109 1.00 53.22 N ATOM 1125 CA ALA A 70 4.619 -2.739 -2.738 1.00 50.24 C ATOM 1126 C ALA A 70 5.781 -2.680 -1.745 1.00 11.52 C ATOM 1127 O ALA A 70 5.617 -2.254 -0.600 1.00 64.02 O ATOM 1128 CB ALA A 70 3.710 -3.919 -2.431 1.00 75.45 C ATOM 0 H ALA A 70 4.841 -3.680 -4.592 1.00 53.22 H new ATOM 0 HA ALA A 70 4.046 -1.818 -2.633 1.00 50.24 H new ATOM 0 HB1 ALA A 70 3.355 -3.847 -1.403 1.00 75.45 H new ATOM 0 HB2 ALA A 70 2.858 -3.908 -3.111 1.00 75.45 H new ATOM 0 HB3 ALA A 70 4.265 -4.849 -2.559 1.00 75.45 H new ATOM 1134 N LYS A 71 6.949 -3.136 -2.184 1.00 42.43 N ATOM 1135 CA LYS A 71 8.151 -3.089 -1.360 1.00 4.40 C ATOM 1136 C LYS A 71 8.685 -1.659 -1.278 1.00 72.51 C ATOM 1137 O LYS A 71 9.205 -1.241 -0.247 1.00 54.24 O ATOM 1138 CB LYS A 71 9.225 -4.014 -1.935 1.00 52.24 C ATOM 1139 CG LYS A 71 10.469 -4.131 -1.067 1.00 34.40 C ATOM 1140 CD LYS A 71 11.606 -4.814 -1.814 1.00 11.15 C ATOM 1141 CE LYS A 71 11.232 -6.219 -2.266 1.00 61.41 C ATOM 1142 NZ LYS A 71 11.105 -7.167 -1.126 1.00 43.52 N ATOM 0 H LYS A 71 7.089 -3.543 -3.109 1.00 42.43 H new ATOM 0 HA LYS A 71 7.894 -3.427 -0.356 1.00 4.40 H new ATOM 0 HB2 LYS A 71 8.798 -5.007 -2.076 1.00 52.24 H new ATOM 0 HB3 LYS A 71 9.515 -3.649 -2.920 1.00 52.24 H new ATOM 0 HG2 LYS A 71 10.786 -3.138 -0.748 1.00 34.40 H new ATOM 0 HG3 LYS A 71 10.233 -4.696 -0.165 1.00 34.40 H new ATOM 0 HD2 LYS A 71 11.880 -4.215 -2.683 1.00 11.15 H new ATOM 0 HD3 LYS A 71 12.484 -4.862 -1.170 1.00 11.15 H new ATOM 0 HE2 LYS A 71 10.289 -6.183 -2.812 1.00 61.41 H new ATOM 0 HE3 LYS A 71 11.988 -6.588 -2.959 1.00 61.41 H new ATOM 0 HZ1 LYS A 71 10.849 -8.109 -1.485 1.00 43.52 H new ATOM 0 HZ2 LYS A 71 12.011 -7.224 -0.619 1.00 43.52 H new ATOM 0 HZ3 LYS A 71 10.365 -6.832 -0.476 1.00 43.52 H new ATOM 1156 N ASP A 72 8.527 -0.911 -2.364 1.00 41.42 N ATOM 1157 CA ASP A 72 9.040 0.455 -2.441 1.00 10.20 C ATOM 1158 C ASP A 72 8.050 1.462 -1.851 1.00 60.13 C ATOM 1159 O ASP A 72 8.184 2.674 -2.052 1.00 44.23 O ATOM 1160 CB ASP A 72 9.360 0.818 -3.897 1.00 22.24 C ATOM 1161 CG ASP A 72 10.671 0.220 -4.382 1.00 11.04 C ATOM 1162 OD1 ASP A 72 11.695 0.355 -3.681 1.00 4.54 O ATOM 1163 OD2 ASP A 72 10.683 -0.386 -5.472 1.00 60.25 O ATOM 0 H ASP A 72 8.047 -1.227 -3.206 1.00 41.42 H new ATOM 0 HA ASP A 72 9.954 0.502 -1.849 1.00 10.20 H new ATOM 0 HB2 ASP A 72 8.550 0.472 -4.539 1.00 22.24 H new ATOM 0 HB3 ASP A 72 9.403 1.903 -3.995 1.00 22.24 H new ATOM 1168 N ILE A 73 7.066 0.959 -1.113 1.00 14.21 N ATOM 1169 CA ILE A 73 6.079 1.811 -0.459 1.00 64.12 C ATOM 1170 C ILE A 73 6.139 1.622 1.055 1.00 31.54 C ATOM 1171 O ILE A 73 6.017 0.500 1.545 1.00 72.42 O ATOM 1172 CB ILE A 73 4.640 1.502 -0.937 1.00 1.33 C ATOM 1173 CG1 ILE A 73 4.542 1.594 -2.460 1.00 50.32 C ATOM 1174 CG2 ILE A 73 3.647 2.456 -0.286 1.00 1.44 C ATOM 1175 CD1 ILE A 73 3.185 1.200 -3.006 1.00 54.00 C ATOM 0 H ILE A 73 6.931 -0.039 -0.952 1.00 14.21 H new ATOM 0 HA ILE A 73 6.322 2.840 -0.725 1.00 64.12 H new ATOM 0 HB ILE A 73 4.394 0.483 -0.638 1.00 1.33 H new ATOM 0 HG12 ILE A 73 4.766 2.615 -2.769 1.00 50.32 H new ATOM 0 HG13 ILE A 73 5.303 0.952 -2.904 1.00 50.32 H new ATOM 0 HG21 ILE A 73 2.640 2.225 -0.633 1.00 1.44 H new ATOM 0 HG22 ILE A 73 3.692 2.345 0.797 1.00 1.44 H new ATOM 0 HG23 ILE A 73 3.897 3.482 -0.556 1.00 1.44 H new ATOM 0 HD11 ILE A 73 3.190 1.290 -4.092 1.00 54.00 H new ATOM 0 HD12 ILE A 73 2.966 0.169 -2.728 1.00 54.00 H new ATOM 0 HD13 ILE A 73 2.421 1.857 -2.591 1.00 54.00 H new ATOM 1187 N LEU A 74 6.335 2.714 1.785 1.00 74.30 N ATOM 1188 CA LEU A 74 6.354 2.668 3.238 1.00 14.22 C ATOM 1189 C LEU A 74 5.042 3.210 3.801 1.00 24.04 C ATOM 1190 O LEU A 74 4.677 4.361 3.554 1.00 24.11 O ATOM 1191 CB LEU A 74 7.527 3.481 3.786 1.00 72.41 C ATOM 1192 CG LEU A 74 8.918 2.985 3.383 1.00 75.55 C ATOM 1193 CD1 LEU A 74 9.988 3.913 3.932 1.00 72.03 C ATOM 1194 CD2 LEU A 74 9.142 1.564 3.876 1.00 63.54 C ATOM 0 H LEU A 74 6.483 3.643 1.391 1.00 74.30 H new ATOM 0 HA LEU A 74 6.473 1.629 3.546 1.00 14.22 H new ATOM 0 HB2 LEU A 74 7.418 4.513 3.453 1.00 72.41 H new ATOM 0 HB3 LEU A 74 7.464 3.489 4.874 1.00 72.41 H new ATOM 0 HG LEU A 74 8.983 2.984 2.295 1.00 75.55 H new ATOM 0 HD11 LEU A 74 10.972 3.548 3.638 1.00 72.03 H new ATOM 0 HD12 LEU A 74 9.839 4.916 3.533 1.00 72.03 H new ATOM 0 HD13 LEU A 74 9.922 3.941 5.020 1.00 72.03 H new ATOM 0 HD21 LEU A 74 10.136 1.229 3.580 1.00 63.54 H new ATOM 0 HD22 LEU A 74 9.059 1.539 4.963 1.00 63.54 H new ATOM 0 HD23 LEU A 74 8.392 0.905 3.439 1.00 63.54 H new ATOM 1206 N VAL A 75 4.339 2.382 4.556 1.00 71.22 N ATOM 1207 CA VAL A 75 3.035 2.744 5.087 1.00 42.35 C ATOM 1208 C VAL A 75 2.907 2.389 6.565 1.00 45.04 C ATOM 1209 O VAL A 75 3.628 1.532 7.081 1.00 61.30 O ATOM 1210 CB VAL A 75 1.895 2.043 4.311 1.00 65.22 C ATOM 1211 CG1 VAL A 75 1.809 2.556 2.882 1.00 63.52 C ATOM 1212 CG2 VAL A 75 2.086 0.533 4.327 1.00 3.41 C ATOM 0 H VAL A 75 4.653 1.447 4.817 1.00 71.22 H new ATOM 0 HA VAL A 75 2.947 3.824 4.969 1.00 42.35 H new ATOM 0 HB VAL A 75 0.955 2.278 4.810 1.00 65.22 H new ATOM 0 HG11 VAL A 75 0.999 2.046 2.360 1.00 63.52 H new ATOM 0 HG12 VAL A 75 1.616 3.629 2.892 1.00 63.52 H new ATOM 0 HG13 VAL A 75 2.751 2.362 2.368 1.00 63.52 H new ATOM 0 HG21 VAL A 75 1.274 0.058 3.776 1.00 3.41 H new ATOM 0 HG22 VAL A 75 3.038 0.282 3.859 1.00 3.41 H new ATOM 0 HG23 VAL A 75 2.083 0.177 5.357 1.00 3.41 H new ATOM 1222 N GLU A 76 1.992 3.066 7.238 1.00 45.44 N ATOM 1223 CA GLU A 76 1.648 2.750 8.613 1.00 70.43 C ATOM 1224 C GLU A 76 0.186 2.337 8.674 1.00 40.24 C ATOM 1225 O GLU A 76 -0.653 2.884 7.955 1.00 14.30 O ATOM 1226 CB GLU A 76 1.911 3.950 9.532 1.00 35.13 C ATOM 1227 CG GLU A 76 1.460 3.743 10.974 1.00 14.20 C ATOM 1228 CD GLU A 76 2.203 2.623 11.679 1.00 51.02 C ATOM 1229 OE1 GLU A 76 1.998 1.445 11.318 1.00 44.35 O ATOM 1230 OE2 GLU A 76 2.992 2.919 12.602 1.00 70.22 O ATOM 0 H GLU A 76 1.468 3.849 6.847 1.00 45.44 H new ATOM 0 HA GLU A 76 2.273 1.927 8.961 1.00 70.43 H new ATOM 0 HB2 GLU A 76 2.978 4.172 9.525 1.00 35.13 H new ATOM 0 HB3 GLU A 76 1.401 4.823 9.125 1.00 35.13 H new ATOM 0 HG2 GLU A 76 1.603 4.670 11.529 1.00 14.20 H new ATOM 0 HG3 GLU A 76 0.392 3.525 10.986 1.00 14.20 H new ATOM 1237 N VAL A 77 -0.111 1.375 9.527 1.00 13.12 N ATOM 1238 CA VAL A 77 -1.450 0.822 9.625 1.00 20.33 C ATOM 1239 C VAL A 77 -2.403 1.832 10.259 1.00 5.42 C ATOM 1240 O VAL A 77 -2.143 2.344 11.348 1.00 61.15 O ATOM 1241 CB VAL A 77 -1.448 -0.481 10.450 1.00 31.35 C ATOM 1242 CG1 VAL A 77 -2.819 -1.129 10.442 1.00 32.32 C ATOM 1243 CG2 VAL A 77 -0.396 -1.449 9.931 1.00 11.11 C ATOM 0 H VAL A 77 0.563 0.957 10.168 1.00 13.12 H new ATOM 0 HA VAL A 77 -1.792 0.596 8.615 1.00 20.33 H new ATOM 0 HB VAL A 77 -1.198 -0.225 11.480 1.00 31.35 H new ATOM 0 HG11 VAL A 77 -2.791 -2.046 11.031 1.00 32.32 H new ATOM 0 HG12 VAL A 77 -3.548 -0.443 10.873 1.00 32.32 H new ATOM 0 HG13 VAL A 77 -3.104 -1.364 9.417 1.00 32.32 H new ATOM 0 HG21 VAL A 77 -0.414 -2.360 10.529 1.00 11.11 H new ATOM 0 HG22 VAL A 77 -0.608 -1.693 8.890 1.00 11.11 H new ATOM 0 HG23 VAL A 77 0.589 -0.988 10.002 1.00 11.11 H new ATOM 1253 N LEU A 78 -3.501 2.123 9.571 1.00 75.42 N ATOM 1254 CA LEU A 78 -4.486 3.074 10.074 1.00 21.14 C ATOM 1255 C LEU A 78 -5.434 2.408 11.055 1.00 12.21 C ATOM 1256 O LEU A 78 -6.230 3.071 11.717 1.00 42.52 O ATOM 1257 CB LEU A 78 -5.279 3.707 8.928 1.00 51.13 C ATOM 1258 CG LEU A 78 -4.491 4.684 8.055 1.00 40.23 C ATOM 1259 CD1 LEU A 78 -5.384 5.273 6.973 1.00 21.51 C ATOM 1260 CD2 LEU A 78 -3.891 5.784 8.917 1.00 2.42 C ATOM 0 H LEU A 78 -3.732 1.715 8.665 1.00 75.42 H new ATOM 0 HA LEU A 78 -3.942 3.862 10.595 1.00 21.14 H new ATOM 0 HB2 LEU A 78 -5.669 2.911 8.294 1.00 51.13 H new ATOM 0 HB3 LEU A 78 -6.138 4.231 9.347 1.00 51.13 H new ATOM 0 HG LEU A 78 -3.680 4.144 7.566 1.00 40.23 H new ATOM 0 HD11 LEU A 78 -4.806 5.966 6.362 1.00 21.51 H new ATOM 0 HD12 LEU A 78 -5.772 4.471 6.345 1.00 21.51 H new ATOM 0 HD13 LEU A 78 -6.215 5.805 7.437 1.00 21.51 H new ATOM 0 HD21 LEU A 78 -3.331 6.475 8.287 1.00 2.42 H new ATOM 0 HD22 LEU A 78 -4.689 6.323 9.427 1.00 2.42 H new ATOM 0 HD23 LEU A 78 -3.221 5.343 9.656 1.00 2.42 H new ATOM 1272 N LEU A 79 -5.348 1.095 11.136 1.00 53.22 N ATOM 1273 CA LEU A 79 -6.110 0.343 12.102 1.00 74.30 C ATOM 1274 C LEU A 79 -5.536 0.575 13.493 1.00 63.12 C ATOM 1275 O LEU A 79 -4.327 0.761 13.650 1.00 11.14 O ATOM 1276 CB LEU A 79 -6.089 -1.149 11.761 1.00 60.14 C ATOM 1277 CG LEU A 79 -6.668 -1.516 10.392 1.00 40.30 C ATOM 1278 CD1 LEU A 79 -6.544 -3.011 10.148 1.00 74.21 C ATOM 1279 CD2 LEU A 79 -8.122 -1.083 10.290 1.00 24.33 C ATOM 0 H LEU A 79 -4.751 0.526 10.536 1.00 53.22 H new ATOM 0 HA LEU A 79 -7.146 0.682 12.078 1.00 74.30 H new ATOM 0 HB2 LEU A 79 -5.058 -1.501 11.807 1.00 60.14 H new ATOM 0 HB3 LEU A 79 -6.645 -1.688 12.528 1.00 60.14 H new ATOM 0 HG LEU A 79 -6.098 -0.989 9.627 1.00 40.30 H new ATOM 0 HD11 LEU A 79 -6.960 -3.256 9.171 1.00 74.21 H new ATOM 0 HD12 LEU A 79 -5.493 -3.299 10.177 1.00 74.21 H new ATOM 0 HD13 LEU A 79 -7.090 -3.552 10.921 1.00 74.21 H new ATOM 0 HD21 LEU A 79 -8.514 -1.353 9.310 1.00 24.33 H new ATOM 0 HD22 LEU A 79 -8.705 -1.582 11.064 1.00 24.33 H new ATOM 0 HD23 LEU A 79 -8.190 -0.003 10.423 1.00 24.33 H new ATOM 1291 N GLU A 80 -6.397 0.564 14.492 1.00 64.51 N ATOM 1292 CA GLU A 80 -5.980 0.845 15.861 1.00 35.44 C ATOM 1293 C GLU A 80 -5.494 -0.427 16.550 1.00 13.02 C ATOM 1294 O GLU A 80 -5.150 -0.418 17.735 1.00 14.42 O ATOM 1295 CB GLU A 80 -7.136 1.457 16.652 1.00 2.44 C ATOM 1296 CG GLU A 80 -7.706 2.725 16.034 1.00 2.22 C ATOM 1297 CD GLU A 80 -6.683 3.832 15.887 1.00 44.33 C ATOM 1298 OE1 GLU A 80 -5.982 4.141 16.874 1.00 52.22 O ATOM 1299 OE2 GLU A 80 -6.588 4.423 14.791 1.00 1.34 O ATOM 0 H GLU A 80 -7.392 0.364 14.386 1.00 64.51 H new ATOM 0 HA GLU A 80 -5.156 1.558 15.827 1.00 35.44 H new ATOM 0 HB2 GLU A 80 -7.933 0.719 16.741 1.00 2.44 H new ATOM 0 HB3 GLU A 80 -6.793 1.680 17.663 1.00 2.44 H new ATOM 0 HG2 GLU A 80 -8.119 2.489 15.053 1.00 2.22 H new ATOM 0 HG3 GLU A 80 -8.531 3.082 16.650 1.00 2.22 H new ATOM 1306 N HIS A 81 -5.463 -1.514 15.797 1.00 32.01 N ATOM 1307 CA HIS A 81 -5.055 -2.805 16.328 1.00 33.30 C ATOM 1308 C HIS A 81 -3.553 -2.998 16.150 1.00 74.53 C ATOM 1309 O HIS A 81 -3.099 -3.598 15.176 1.00 44.14 O ATOM 1310 CB HIS A 81 -5.827 -3.931 15.632 1.00 24.24 C ATOM 1311 CG HIS A 81 -5.748 -5.252 16.336 1.00 4.41 C ATOM 1312 ND1 HIS A 81 -6.682 -5.665 17.257 1.00 40.11 N ATOM 1313 CD2 HIS A 81 -4.856 -6.263 16.232 1.00 64.14 C ATOM 1314 CE1 HIS A 81 -6.370 -6.869 17.687 1.00 23.10 C ATOM 1315 NE2 HIS A 81 -5.264 -7.260 17.080 1.00 35.45 N ATOM 0 H HIS A 81 -5.717 -1.528 14.809 1.00 32.01 H new ATOM 0 HA HIS A 81 -5.283 -2.835 17.393 1.00 33.30 H new ATOM 0 HB2 HIS A 81 -6.874 -3.640 15.545 1.00 24.24 H new ATOM 0 HB3 HIS A 81 -5.443 -4.048 14.618 1.00 24.24 H new ATOM 0 HD2 HIS A 81 -3.982 -6.282 15.597 1.00 64.14 H new ATOM 0 HE1 HIS A 81 -6.926 -7.442 18.415 1.00 23.10 H new ATOM 0 HE2 HIS A 81 -4.793 -8.154 17.219 1.00 35.45 H new ATOM 1324 N HIS A 82 -2.783 -2.450 17.078 1.00 14.43 N ATOM 1325 CA HIS A 82 -1.330 -2.571 17.034 1.00 43.15 C ATOM 1326 C HIS A 82 -0.891 -3.897 17.642 1.00 53.54 C ATOM 1327 O HIS A 82 -0.684 -4.009 18.851 1.00 4.54 O ATOM 1328 CB HIS A 82 -0.638 -1.384 17.737 1.00 63.14 C ATOM 1329 CG HIS A 82 -1.168 -1.060 19.108 1.00 74.31 C ATOM 1330 ND1 HIS A 82 -2.304 -0.427 19.482 1.00 52.44 N flip ATOM 1331 CD2 HIS A 82 -0.506 -1.369 20.279 1.00 24.44 C flip ATOM 1332 CE1 HIS A 82 -2.311 -0.366 20.849 1.00 51.12 C flip ATOM 1333 NE2 HIS A 82 -1.217 -0.941 21.308 1.00 42.42 N flip ATOM 0 H HIS A 82 -3.138 -1.917 17.872 1.00 14.43 H new ATOM 0 HA HIS A 82 -1.023 -2.549 15.988 1.00 43.15 H new ATOM 0 HB2 HIS A 82 0.427 -1.600 17.817 1.00 63.14 H new ATOM 0 HB3 HIS A 82 -0.738 -0.500 17.107 1.00 63.14 H new ATOM 0 HD2 HIS A 82 0.443 -1.880 20.344 1.00 24.44 H new ATOM 0 HE1 HIS A 82 -3.087 0.081 21.454 1.00 51.12 H new ATOM 0 HE2 HIS A 82 -0.962 -1.039 22.291 1.00 42.42 H new ATOM 1342 N HIS A 83 -0.765 -4.908 16.796 1.00 71.44 N ATOM 1343 CA HIS A 83 -0.399 -6.237 17.258 1.00 12.30 C ATOM 1344 C HIS A 83 1.121 -6.386 17.298 1.00 43.31 C ATOM 1345 O HIS A 83 1.785 -6.501 16.268 1.00 73.12 O ATOM 1346 CB HIS A 83 -1.062 -7.335 16.394 1.00 2.32 C ATOM 1347 CG HIS A 83 -0.699 -7.322 14.933 1.00 54.15 C ATOM 1348 ND1 HIS A 83 -1.377 -6.584 13.984 1.00 14.55 N ATOM 1349 CD2 HIS A 83 0.279 -7.975 14.261 1.00 1.35 C ATOM 1350 CE1 HIS A 83 -0.827 -6.781 12.801 1.00 23.11 C ATOM 1351 NE2 HIS A 83 0.182 -7.621 12.939 1.00 62.34 N ATOM 0 H HIS A 83 -0.910 -4.834 15.789 1.00 71.44 H new ATOM 0 HA HIS A 83 -0.774 -6.364 18.273 1.00 12.30 H new ATOM 0 HB2 HIS A 83 -0.795 -8.308 16.807 1.00 2.32 H new ATOM 0 HB3 HIS A 83 -2.144 -7.237 16.482 1.00 2.32 H new ATOM 0 HD2 HIS A 83 1.004 -8.652 14.688 1.00 1.35 H new ATOM 0 HE1 HIS A 83 -1.149 -6.330 11.874 1.00 23.11 H new ATOM 0 HE2 HIS A 83 0.788 -7.952 12.188 1.00 62.34 H new ATOM 1360 N HIS A 84 1.674 -6.329 18.497 1.00 4.21 N ATOM 1361 CA HIS A 84 3.108 -6.501 18.675 1.00 11.11 C ATOM 1362 C HIS A 84 3.439 -7.982 18.806 1.00 11.22 C ATOM 1363 O HIS A 84 2.769 -8.713 19.546 1.00 45.24 O ATOM 1364 CB HIS A 84 3.624 -5.710 19.889 1.00 23.33 C ATOM 1365 CG HIS A 84 3.023 -6.113 21.202 1.00 11.23 C ATOM 1366 ND1 HIS A 84 3.677 -6.918 22.109 1.00 71.31 N ATOM 1367 CD2 HIS A 84 1.829 -5.810 21.766 1.00 62.42 C ATOM 1368 CE1 HIS A 84 2.915 -7.093 23.170 1.00 11.12 C ATOM 1369 NE2 HIS A 84 1.788 -6.432 22.986 1.00 44.15 N ATOM 0 H HIS A 84 1.155 -6.166 19.360 1.00 4.21 H new ATOM 0 HA HIS A 84 3.614 -6.104 17.795 1.00 11.11 H new ATOM 0 HB2 HIS A 84 4.706 -5.828 19.949 1.00 23.33 H new ATOM 0 HB3 HIS A 84 3.427 -4.650 19.725 1.00 23.33 H new ATOM 0 HD2 HIS A 84 1.054 -5.193 21.335 1.00 62.42 H new ATOM 0 HE1 HIS A 84 3.170 -7.678 24.042 1.00 11.12 H new ATOM 0 HE2 HIS A 84 1.011 -6.391 23.646 1.00 44.15 H new ATOM 1378 N HIS A 85 4.460 -8.410 18.066 1.00 22.14 N ATOM 1379 CA HIS A 85 4.840 -9.818 17.954 1.00 11.51 C ATOM 1380 C HIS A 85 3.779 -10.590 17.174 1.00 44.11 C ATOM 1381 O HIS A 85 3.955 -10.879 15.990 1.00 54.44 O ATOM 1382 CB HIS A 85 5.064 -10.459 19.334 1.00 44.13 C ATOM 1383 CG HIS A 85 5.469 -11.903 19.278 1.00 65.41 C ATOM 1384 ND1 HIS A 85 4.601 -12.942 19.549 1.00 73.00 N ATOM 1385 CD2 HIS A 85 6.657 -12.477 18.986 1.00 64.41 C ATOM 1386 CE1 HIS A 85 5.243 -14.089 19.424 1.00 12.23 C ATOM 1387 NE2 HIS A 85 6.491 -13.834 19.085 1.00 61.34 N ATOM 0 H HIS A 85 5.053 -7.783 17.522 1.00 22.14 H new ATOM 0 HA HIS A 85 5.785 -9.865 17.413 1.00 11.51 H new ATOM 0 HB2 HIS A 85 5.833 -9.897 19.864 1.00 44.13 H new ATOM 0 HB3 HIS A 85 4.147 -10.372 19.917 1.00 44.13 H new ATOM 0 HD2 HIS A 85 7.569 -11.962 18.723 1.00 64.41 H new ATOM 0 HE1 HIS A 85 4.818 -15.070 19.574 1.00 12.23 H new ATOM 0 HE2 HIS A 85 7.216 -14.533 18.923 1.00 61.34 H new ATOM 1396 N HIS A 86 2.672 -10.882 17.841 1.00 73.44 N ATOM 1397 CA HIS A 86 1.597 -11.683 17.278 1.00 33.31 C ATOM 1398 C HIS A 86 0.523 -11.882 18.334 1.00 71.10 C ATOM 1399 O HIS A 86 0.779 -12.630 19.300 1.00 37.91 O ATOM 1400 CB HIS A 86 2.124 -13.039 16.797 1.00 21.41 C ATOM 1401 CG HIS A 86 1.076 -13.936 16.212 1.00 24.11 C ATOM 1402 ND1 HIS A 86 0.948 -15.259 16.567 1.00 30.42 N ATOM 1403 CD2 HIS A 86 0.117 -13.702 15.284 1.00 55.25 C ATOM 1404 CE1 HIS A 86 -0.043 -15.801 15.887 1.00 64.30 C ATOM 1405 NE2 HIS A 86 -0.564 -14.880 15.102 1.00 44.40 N ATOM 1406 OXT HIS A 86 -0.553 -11.277 18.209 1.00 37.91 O ATOM 0 H HIS A 86 2.494 -10.567 18.795 1.00 73.44 H new ATOM 0 HA HIS A 86 1.176 -11.162 16.418 1.00 33.31 H new ATOM 0 HB2 HIS A 86 2.899 -12.870 16.050 1.00 21.41 H new ATOM 0 HB3 HIS A 86 2.596 -13.550 17.636 1.00 21.41 H new ATOM 0 HD2 HIS A 86 -0.075 -12.765 14.782 1.00 55.25 H new ATOM 0 HE1 HIS A 86 -0.372 -16.827 15.961 1.00 64.30 H new ATOM 0 HE2 HIS A 86 -1.346 -15.020 14.463 1.00 44.40 H new TER 1415 HIS A 86