USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 622 hydrogens (4 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 NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD Set 1.1: A 19 SER OG : rot 180:sc= 0.503 USER MOD Set 1.2: A 57 GLN : amide:sc= 0.43 X(o=0.93,f=1.1) USER MOD Single : A 1 MET CE :methyl -110:sc= 0 (180deg=-0.344) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.25 (180deg=1.21) USER MOD Single : A 8 ASN : amide:sc= -0.381 K(o=-0.38,f=-1.4) USER MOD Single : A 9 SER OG : rot -44:sc= 0.609 USER MOD Single : A 10 SER OG : rot -132:sc= 0.133 USER MOD Single : A 11 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.19) USER MOD Single : A 21 THR OG1 : rot -130:sc= 0.445 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.28) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0.907 (180deg=0.904) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0853) USER MOD Single : A 34 GLN : amide:sc= -0.0873 K(o=-0.087,f=-0.84) USER MOD Single : A 40 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00315 X(o=-0.0031,f=-0.084) USER MOD Single : A 55 THR OG1 : rot -139:sc= 0.00063 USER MOD Single : A 58 ASN : amide:sc= -0.0742 K(o=-0.074,f=-3.3!) USER MOD Single : A 59 CYS SG : rot 143:sc= -2.42 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 64 GLN : amide:sc= -0.0497 X(o=-0.05,f=-0.051) USER MOD Single : A 68 HIS : no HD1:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.917 K(o=-0.92,f=-3.2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.136 -0.749 -0.296 1.00 0.00 N ATOM 2 CA MET A 1 2.323 -1.018 -1.127 1.00 0.00 C ATOM 3 C MET A 1 2.031 -2.137 -2.109 1.00 0.00 C ATOM 4 O MET A 1 1.494 -3.170 -1.734 1.00 0.00 O ATOM 5 CB MET A 1 3.524 -1.396 -0.251 1.00 0.00 C ATOM 6 CG MET A 1 4.817 -1.556 -1.035 1.00 0.00 C ATOM 7 SD MET A 1 6.261 -1.821 0.018 1.00 0.00 S ATOM 8 CE MET A 1 6.007 -3.507 0.556 1.00 0.00 C ATOM 0 H1 MET A 1 1.279 0.132 0.239 1.00 0.00 H new ATOM 0 H2 MET A 1 0.300 -0.652 -0.906 1.00 0.00 H new ATOM 0 H3 MET A 1 0.991 -1.537 0.367 1.00 0.00 H new ATOM 0 HA MET A 1 2.566 -0.110 -1.679 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.663 -0.630 0.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.306 -2.329 0.269 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.717 -2.397 -1.721 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.978 -0.666 -1.643 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.754 -3.516 1.616 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.193 -3.952 -0.015 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.919 -4.081 0.396 1.00 0.00 H new ATOM 20 N ILE A 2 2.379 -1.935 -3.359 1.00 0.00 N ATOM 21 CA ILE A 2 2.139 -2.937 -4.379 1.00 0.00 C ATOM 22 C ILE A 2 3.405 -3.725 -4.668 1.00 0.00 C ATOM 23 O ILE A 2 4.424 -3.158 -5.052 1.00 0.00 O ATOM 24 CB ILE A 2 1.623 -2.304 -5.690 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.327 -1.537 -5.437 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.411 -3.374 -6.753 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.244 -0.884 -6.675 1.00 0.00 C ATOM 0 H ILE A 2 2.830 -1.085 -3.697 1.00 0.00 H new ATOM 0 HA ILE A 2 1.372 -3.608 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 2 2.374 -1.603 -6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.414 -2.220 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.510 -0.770 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.047 -2.909 -7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.355 -3.880 -6.953 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.678 -4.099 -6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.163 -0.358 -6.418 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.479 -0.175 -7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.460 -1.647 -7.422 1.00 0.00 H new ATOM 39 N VAL A 3 3.338 -5.027 -4.477 1.00 0.00 N ATOM 40 CA VAL A 3 4.471 -5.886 -4.738 1.00 0.00 C ATOM 41 C VAL A 3 4.170 -6.829 -5.896 1.00 0.00 C ATOM 42 O VAL A 3 3.085 -7.397 -5.982 1.00 0.00 O ATOM 43 CB VAL A 3 4.886 -6.706 -3.481 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.306 -5.779 -2.352 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.759 -7.625 -3.022 1.00 0.00 C ATOM 0 H VAL A 3 2.507 -5.513 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 3 5.308 -5.240 -5.005 1.00 0.00 H new ATOM 0 HB VAL A 3 5.737 -7.329 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.592 -6.371 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.154 -5.174 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.474 -5.126 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.080 -8.184 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.882 -7.028 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.508 -8.321 -3.822 1.00 0.00 H new ATOM 55 N PHE A 4 5.113 -6.965 -6.795 1.00 0.00 N ATOM 56 CA PHE A 4 4.959 -7.862 -7.922 1.00 0.00 C ATOM 57 C PHE A 4 5.287 -9.272 -7.501 1.00 0.00 C ATOM 58 O PHE A 4 6.199 -9.491 -6.690 1.00 0.00 O ATOM 59 CB PHE A 4 5.844 -7.424 -9.086 1.00 0.00 C ATOM 60 CG PHE A 4 5.333 -6.211 -9.797 1.00 0.00 C ATOM 61 CD1 PHE A 4 5.468 -4.953 -9.236 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.712 -6.330 -11.024 1.00 0.00 C ATOM 63 CE1 PHE A 4 4.990 -3.836 -9.887 1.00 0.00 C ATOM 64 CE2 PHE A 4 4.231 -5.215 -11.684 1.00 0.00 C ATOM 65 CZ PHE A 4 4.371 -3.966 -11.115 1.00 0.00 C ATOM 0 H PHE A 4 6.001 -6.465 -6.771 1.00 0.00 H new ATOM 0 HA PHE A 4 3.923 -7.829 -8.260 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.848 -7.222 -8.713 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.928 -8.245 -9.798 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.953 -4.845 -8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.601 -7.306 -11.473 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.099 -2.860 -9.437 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.746 -5.321 -12.643 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.998 -3.092 -11.628 1.00 0.00 H new ATOM 75 N VAL A 5 4.558 -10.227 -8.034 1.00 0.00 N ATOM 76 CA VAL A 5 4.747 -11.600 -7.655 1.00 0.00 C ATOM 77 C VAL A 5 4.621 -12.546 -8.862 1.00 0.00 C ATOM 78 O VAL A 5 3.778 -12.356 -9.731 1.00 0.00 O ATOM 79 CB VAL A 5 3.735 -11.991 -6.546 1.00 0.00 C ATOM 80 CG1 VAL A 5 2.309 -11.968 -7.057 1.00 0.00 C ATOM 81 CG2 VAL A 5 4.068 -13.328 -5.944 1.00 0.00 C ATOM 0 H VAL A 5 3.830 -10.073 -8.731 1.00 0.00 H new ATOM 0 HA VAL A 5 5.760 -11.704 -7.265 1.00 0.00 H new ATOM 0 HB VAL A 5 3.816 -11.241 -5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.629 -12.247 -6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.064 -10.965 -7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.206 -12.675 -7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.339 -13.571 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.042 -14.093 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.065 -13.291 -5.504 1.00 0.00 H new ATOM 91 N ARG A 6 5.483 -13.552 -8.900 1.00 0.00 N ATOM 92 CA ARG A 6 5.478 -14.552 -9.959 1.00 0.00 C ATOM 93 C ARG A 6 4.819 -15.817 -9.435 1.00 0.00 C ATOM 94 O ARG A 6 5.421 -16.555 -8.651 1.00 0.00 O ATOM 95 CB ARG A 6 6.919 -14.897 -10.380 1.00 0.00 C ATOM 96 CG ARG A 6 7.782 -13.714 -10.791 1.00 0.00 C ATOM 97 CD ARG A 6 7.497 -13.250 -12.211 1.00 0.00 C ATOM 98 NE ARG A 6 8.479 -12.248 -12.650 1.00 0.00 N ATOM 99 CZ ARG A 6 8.273 -11.341 -13.610 1.00 0.00 C ATOM 100 NH1 ARG A 6 7.148 -11.347 -14.304 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 9.213 -10.446 -13.889 1.00 0.00 N ATOM 0 H ARG A 6 6.207 -13.698 -8.196 1.00 0.00 H new ATOM 0 HA ARG A 6 4.935 -14.155 -10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.408 -15.411 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.877 -15.600 -11.212 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.612 -12.887 -10.101 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.833 -13.989 -10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.519 -14.105 -12.887 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.494 -12.827 -12.264 1.00 0.00 H new ATOM 0 HE ARG A 6 9.388 -12.245 -12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.432 -12.046 -14.108 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.996 -10.652 -15.035 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.092 -10.451 -13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.057 -9.754 -14.621 1.00 0.00 H new ATOM 115 N PHE A 7 3.588 -16.057 -9.834 1.00 0.00 N ATOM 116 CA PHE A 7 2.869 -17.231 -9.373 1.00 0.00 C ATOM 117 C PHE A 7 3.086 -18.401 -10.333 1.00 0.00 C ATOM 118 O PHE A 7 3.153 -18.211 -11.540 1.00 0.00 O ATOM 119 CB PHE A 7 1.377 -16.918 -9.212 1.00 0.00 C ATOM 120 CG PHE A 7 0.588 -18.003 -8.538 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.643 -18.162 -7.163 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.211 -18.862 -9.276 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.081 -19.155 -6.539 1.00 0.00 C ATOM 124 CE2 PHE A 7 -0.937 -19.859 -8.655 1.00 0.00 C ATOM 125 CZ PHE A 7 -0.872 -20.004 -7.284 1.00 0.00 C ATOM 0 H PHE A 7 3.064 -15.459 -10.473 1.00 0.00 H new ATOM 0 HA PHE A 7 3.259 -17.519 -8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 7 1.271 -15.997 -8.638 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.948 -16.731 -10.197 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.260 -17.500 -6.573 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.266 -18.750 -10.349 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.029 -19.268 -5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.554 -20.524 -9.241 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.440 -20.782 -6.795 1.00 0.00 H new ATOM 135 N ASN A 8 3.196 -19.603 -9.776 1.00 0.00 N ATOM 136 CA ASN A 8 3.462 -20.835 -10.553 1.00 0.00 C ATOM 137 C ASN A 8 2.554 -20.986 -11.777 1.00 0.00 C ATOM 138 O ASN A 8 3.022 -21.313 -12.862 1.00 0.00 O ATOM 139 CB ASN A 8 3.312 -22.070 -9.656 1.00 0.00 C ATOM 140 CG ASN A 8 3.684 -23.370 -10.359 1.00 0.00 C ATOM 141 OD1 ASN A 8 4.840 -23.778 -10.350 1.00 0.00 O ATOM 142 ND2 ASN A 8 2.705 -24.035 -10.946 1.00 0.00 N ATOM 0 H ASN A 8 3.105 -19.763 -8.773 1.00 0.00 H new ATOM 0 HA ASN A 8 4.486 -20.751 -10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.940 -21.949 -8.774 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.281 -22.135 -9.307 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.899 -24.921 -11.413 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.755 -23.663 -10.932 1.00 0.00 H new ATOM 149 N SER A 9 1.271 -20.750 -11.598 1.00 0.00 N ATOM 150 CA SER A 9 0.313 -20.939 -12.678 1.00 0.00 C ATOM 151 C SER A 9 -0.201 -19.596 -13.212 1.00 0.00 C ATOM 152 O SER A 9 -1.321 -19.506 -13.713 1.00 0.00 O ATOM 153 CB SER A 9 -0.854 -21.806 -12.178 1.00 0.00 C ATOM 154 OG SER A 9 -1.729 -22.162 -13.234 1.00 0.00 O ATOM 0 H SER A 9 0.864 -20.428 -10.720 1.00 0.00 H new ATOM 0 HA SER A 9 0.814 -21.446 -13.503 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.462 -22.709 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.409 -21.264 -11.412 1.00 0.00 H new ATOM 0 HG SER A 9 -1.899 -21.378 -13.797 1.00 0.00 H new ATOM 160 N SER A 10 0.627 -18.565 -13.129 1.00 0.00 N ATOM 161 CA SER A 10 0.236 -17.249 -13.600 1.00 0.00 C ATOM 162 C SER A 10 1.469 -16.443 -13.997 1.00 0.00 C ATOM 163 O SER A 10 2.584 -16.969 -14.014 1.00 0.00 O ATOM 164 CB SER A 10 -0.545 -16.514 -12.506 1.00 0.00 C ATOM 165 OG SER A 10 -1.286 -15.429 -13.039 1.00 0.00 O ATOM 0 H SER A 10 1.569 -18.616 -12.741 1.00 0.00 H new ATOM 0 HA SER A 10 -0.403 -17.363 -14.476 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.222 -17.210 -12.010 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.146 -16.147 -11.748 1.00 0.00 H new ATOM 0 HG SER A 10 -1.137 -14.630 -12.491 1.00 0.00 H new ATOM 171 N HIS A 11 1.266 -15.179 -14.321 1.00 0.00 N ATOM 172 CA HIS A 11 2.358 -14.297 -14.680 1.00 0.00 C ATOM 173 C HIS A 11 2.775 -13.462 -13.470 1.00 0.00 C ATOM 174 O HIS A 11 2.319 -13.709 -12.349 1.00 0.00 O ATOM 175 CB HIS A 11 1.964 -13.385 -15.872 1.00 0.00 C ATOM 176 CG HIS A 11 0.808 -12.442 -15.608 1.00 0.00 C ATOM 177 ND1 HIS A 11 -0.445 -12.682 -16.119 1.00 0.00 N ATOM 178 CD2 HIS A 11 0.785 -11.278 -14.911 1.00 0.00 C ATOM 179 CE1 HIS A 11 -1.196 -11.664 -15.723 1.00 0.00 C ATOM 180 NE2 HIS A 11 -0.493 -10.794 -14.993 1.00 0.00 N ATOM 0 H HIS A 11 0.346 -14.739 -14.342 1.00 0.00 H new ATOM 0 HA HIS A 11 3.207 -14.904 -14.994 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.834 -12.796 -16.161 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.710 -14.016 -16.723 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.615 -10.821 -14.392 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -2.244 -11.552 -15.961 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.842 -9.932 -14.575 1.00 0.00 H new ATOM 188 N GLY A 12 3.641 -12.491 -13.693 1.00 0.00 N ATOM 189 CA GLY A 12 4.071 -11.623 -12.623 1.00 0.00 C ATOM 190 C GLY A 12 3.083 -10.510 -12.380 1.00 0.00 C ATOM 191 O GLY A 12 3.250 -9.406 -12.891 1.00 0.00 O ATOM 0 H GLY A 12 4.056 -12.287 -14.602 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.196 -12.205 -11.710 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.045 -11.199 -12.867 1.00 0.00 H new ATOM 195 N PHE A 13 2.052 -10.796 -11.613 1.00 0.00 N ATOM 196 CA PHE A 13 1.019 -9.820 -11.334 1.00 0.00 C ATOM 197 C PHE A 13 1.323 -9.060 -10.049 1.00 0.00 C ATOM 198 O PHE A 13 2.013 -9.570 -9.167 1.00 0.00 O ATOM 199 CB PHE A 13 -0.373 -10.488 -11.271 1.00 0.00 C ATOM 200 CG PHE A 13 -0.502 -11.603 -10.265 1.00 0.00 C ATOM 201 CD1 PHE A 13 -0.924 -11.346 -8.971 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.216 -12.910 -10.621 1.00 0.00 C ATOM 203 CE1 PHE A 13 -1.057 -12.370 -8.055 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.345 -13.935 -9.708 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.767 -13.666 -8.424 1.00 0.00 C ATOM 0 H PHE A 13 1.906 -11.703 -11.169 1.00 0.00 H new ATOM 0 HA PHE A 13 1.005 -9.101 -12.153 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.115 -9.724 -11.041 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.616 -10.881 -12.259 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.152 -10.333 -8.675 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.112 -13.129 -11.626 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.388 -12.156 -7.050 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.115 -14.949 -9.999 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.870 -14.469 -7.709 1.00 0.00 H new ATOM 215 N PRO A 14 0.841 -7.819 -9.942 1.00 0.00 N ATOM 216 CA PRO A 14 1.059 -6.999 -8.770 1.00 0.00 C ATOM 217 C PRO A 14 0.005 -7.225 -7.675 1.00 0.00 C ATOM 218 O PRO A 14 -1.206 -7.174 -7.929 1.00 0.00 O ATOM 219 CB PRO A 14 0.963 -5.586 -9.330 1.00 0.00 C ATOM 220 CG PRO A 14 0.008 -5.684 -10.475 1.00 0.00 C ATOM 221 CD PRO A 14 0.059 -7.109 -10.973 1.00 0.00 C ATOM 0 HA PRO A 14 2.006 -7.224 -8.280 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.603 -4.887 -8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.938 -5.226 -9.659 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.002 -5.422 -10.158 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.284 -4.989 -11.268 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.940 -7.531 -11.078 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.536 -7.173 -11.951 1.00 0.00 H new ATOM 229 N VAL A 15 0.473 -7.484 -6.470 1.00 0.00 N ATOM 230 CA VAL A 15 -0.393 -7.679 -5.328 1.00 0.00 C ATOM 231 C VAL A 15 -0.247 -6.512 -4.359 1.00 0.00 C ATOM 232 O VAL A 15 0.847 -6.234 -3.861 1.00 0.00 O ATOM 233 CB VAL A 15 -0.086 -9.016 -4.593 1.00 0.00 C ATOM 234 CG1 VAL A 15 -0.897 -9.130 -3.307 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.387 -10.191 -5.500 1.00 0.00 C ATOM 0 H VAL A 15 1.467 -7.565 -6.257 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.418 -7.727 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 15 0.973 -9.026 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.664 -10.073 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.647 -8.301 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.961 -9.097 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.168 -11.121 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.440 -10.172 -5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.230 -10.126 -6.396 1.00 0.00 H new ATOM 245 N GLU A 16 -1.337 -5.816 -4.125 1.00 0.00 N ATOM 246 CA GLU A 16 -1.339 -4.691 -3.218 1.00 0.00 C ATOM 247 C GLU A 16 -1.446 -5.176 -1.776 1.00 0.00 C ATOM 248 O GLU A 16 -2.415 -5.843 -1.401 1.00 0.00 O ATOM 249 CB GLU A 16 -2.492 -3.749 -3.559 1.00 0.00 C ATOM 250 CG GLU A 16 -2.467 -2.439 -2.797 1.00 0.00 C ATOM 251 CD GLU A 16 -3.555 -1.497 -3.246 1.00 0.00 C ATOM 252 OE1 GLU A 16 -4.659 -1.543 -2.681 1.00 0.00 O ATOM 253 OE2 GLU A 16 -3.314 -0.699 -4.169 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.241 -6.012 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.402 -4.145 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.469 -3.536 -4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.435 -4.257 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.579 -2.639 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.497 -1.961 -2.932 1.00 0.00 H new ATOM 260 N VAL A 17 -0.441 -4.859 -0.980 1.00 0.00 N ATOM 261 CA VAL A 17 -0.400 -5.266 0.413 1.00 0.00 C ATOM 262 C VAL A 17 -0.262 -4.045 1.320 1.00 0.00 C ATOM 263 O VAL A 17 0.067 -2.950 0.855 1.00 0.00 O ATOM 264 CB VAL A 17 0.775 -6.245 0.684 1.00 0.00 C ATOM 265 CG1 VAL A 17 0.660 -7.482 -0.197 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.119 -5.560 0.466 1.00 0.00 C ATOM 0 H VAL A 17 0.367 -4.314 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.336 -5.780 0.632 1.00 0.00 H new ATOM 0 HB VAL A 17 0.717 -6.556 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.493 -8.154 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.279 -7.993 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.684 -7.185 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.924 -6.268 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.186 -5.211 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.209 -4.711 1.144 1.00 0.00 H new ATOM 276 N ASP A 18 -0.501 -4.237 2.599 1.00 0.00 N ATOM 277 CA ASP A 18 -0.411 -3.157 3.570 1.00 0.00 C ATOM 278 C ASP A 18 0.974 -3.155 4.208 1.00 0.00 C ATOM 279 O ASP A 18 1.685 -4.158 4.159 1.00 0.00 O ATOM 280 CB ASP A 18 -1.496 -3.324 4.649 1.00 0.00 C ATOM 281 CG ASP A 18 -1.541 -2.176 5.634 1.00 0.00 C ATOM 282 OD1 ASP A 18 -2.173 -1.143 5.324 1.00 0.00 O ATOM 283 OD2 ASP A 18 -0.952 -2.300 6.721 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.762 -5.139 2.998 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.570 -2.205 3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.468 -3.417 4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.319 -4.253 5.192 1.00 0.00 H new ATOM 288 N SER A 19 1.355 -2.040 4.805 1.00 0.00 N ATOM 289 CA SER A 19 2.654 -1.925 5.441 1.00 0.00 C ATOM 290 C SER A 19 2.751 -2.809 6.691 1.00 0.00 C ATOM 291 O SER A 19 3.843 -3.089 7.180 1.00 0.00 O ATOM 292 CB SER A 19 2.949 -0.468 5.792 1.00 0.00 C ATOM 293 OG SER A 19 2.930 0.345 4.627 1.00 0.00 O ATOM 0 H SER A 19 0.781 -1.199 4.862 1.00 0.00 H new ATOM 0 HA SER A 19 3.403 -2.275 4.730 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.211 -0.105 6.507 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.923 -0.396 6.276 1.00 0.00 H new ATOM 0 HG SER A 19 3.120 1.274 4.874 1.00 0.00 H new ATOM 299 N ASP A 20 1.612 -3.252 7.199 1.00 0.00 N ATOM 300 CA ASP A 20 1.604 -4.113 8.373 1.00 0.00 C ATOM 301 C ASP A 20 1.211 -5.532 8.020 1.00 0.00 C ATOM 302 O ASP A 20 0.914 -6.338 8.903 1.00 0.00 O ATOM 303 CB ASP A 20 0.684 -3.564 9.459 1.00 0.00 C ATOM 304 CG ASP A 20 1.323 -2.447 10.254 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.193 -2.740 11.103 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.954 -1.273 10.044 1.00 0.00 O1- ATOM 0 H ASP A 20 0.690 -3.033 6.822 1.00 0.00 H new ATOM 0 HA ASP A 20 2.622 -4.130 8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.235 -3.199 9.001 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.404 -4.372 10.135 1.00 0.00 H new ATOM 311 N THR A 21 1.220 -5.847 6.735 1.00 0.00 N ATOM 312 CA THR A 21 0.888 -7.181 6.287 1.00 0.00 C ATOM 313 C THR A 21 2.003 -8.162 6.651 1.00 0.00 C ATOM 314 O THR A 21 3.101 -8.105 6.099 1.00 0.00 O ATOM 315 CB THR A 21 0.637 -7.221 4.761 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.459 -6.362 4.432 1.00 0.00 O ATOM 317 CG2 THR A 21 0.323 -8.636 4.289 1.00 0.00 C ATOM 0 H THR A 21 1.454 -5.194 5.987 1.00 0.00 H new ATOM 0 HA THR A 21 -0.031 -7.476 6.793 1.00 0.00 H new ATOM 0 HB THR A 21 1.544 -6.883 4.260 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.098 -6.848 3.870 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.152 -8.631 3.213 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.163 -9.291 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.570 -8.999 4.797 1.00 0.00 H new ATOM 325 N SER A 22 1.722 -9.023 7.611 1.00 0.00 N ATOM 326 CA SER A 22 2.658 -10.050 8.027 1.00 0.00 C ATOM 327 C SER A 22 2.910 -11.022 6.876 1.00 0.00 C ATOM 328 O SER A 22 2.053 -11.198 6.015 1.00 0.00 O ATOM 329 CB SER A 22 2.088 -10.794 9.240 1.00 0.00 C ATOM 330 OG SER A 22 2.877 -11.915 9.583 1.00 0.00 O ATOM 0 H SER A 22 0.840 -9.030 8.123 1.00 0.00 H new ATOM 0 HA SER A 22 3.606 -9.590 8.304 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.032 -10.114 10.090 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.070 -11.118 9.023 1.00 0.00 H new ATOM 0 HG SER A 22 2.486 -12.365 10.361 1.00 0.00 H new ATOM 336 N ILE A 23 4.083 -11.647 6.855 1.00 0.00 N ATOM 337 CA ILE A 23 4.414 -12.613 5.809 1.00 0.00 C ATOM 338 C ILE A 23 3.445 -13.797 5.866 1.00 0.00 C ATOM 339 O ILE A 23 3.089 -14.377 4.835 1.00 0.00 O ATOM 340 CB ILE A 23 5.883 -13.118 5.927 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.866 -11.936 5.909 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.219 -14.100 4.802 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.772 -11.068 4.666 1.00 0.00 C ATOM 0 H ILE A 23 4.819 -11.504 7.547 1.00 0.00 H new ATOM 0 HA ILE A 23 4.317 -12.107 4.849 1.00 0.00 H new ATOM 0 HB ILE A 23 5.980 -13.640 6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.687 -11.315 6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.882 -12.321 5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.250 -14.437 4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.550 -14.959 4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.097 -13.605 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.498 -10.258 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.982 -11.672 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.768 -10.650 4.589 1.00 0.00 H new ATOM 355 N PHE A 24 2.998 -14.132 7.076 1.00 0.00 N ATOM 356 CA PHE A 24 2.027 -15.200 7.253 1.00 0.00 C ATOM 357 C PHE A 24 0.691 -14.767 6.669 1.00 0.00 C ATOM 358 O PHE A 24 -0.007 -15.549 6.024 1.00 0.00 O ATOM 359 CB PHE A 24 1.863 -15.543 8.735 1.00 0.00 C ATOM 360 CG PHE A 24 1.080 -16.805 8.973 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.685 -18.043 8.842 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.261 -16.753 9.322 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.973 -19.203 9.054 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.978 -17.914 9.535 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.360 -19.141 9.400 1.00 0.00 C ATOM 0 H PHE A 24 3.294 -13.679 7.941 1.00 0.00 H new ATOM 0 HA PHE A 24 2.383 -16.090 6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.849 -15.645 9.188 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.365 -14.715 9.239 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.729 -18.100 8.570 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.749 -15.796 9.428 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.459 -20.162 8.949 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.022 -17.862 9.807 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.919 -20.050 9.565 1.00 0.00 H new ATOM 375 N GLN A 25 0.349 -13.502 6.891 1.00 0.00 N ATOM 376 CA GLN A 25 -0.875 -12.933 6.358 1.00 0.00 C ATOM 377 C GLN A 25 -0.782 -12.804 4.849 1.00 0.00 C ATOM 378 O GLN A 25 -1.751 -13.029 4.144 1.00 0.00 O ATOM 379 CB GLN A 25 -1.162 -11.568 6.988 1.00 0.00 C ATOM 380 CG GLN A 25 -1.560 -11.634 8.454 1.00 0.00 C ATOM 381 CD GLN A 25 -2.776 -12.508 8.677 1.00 0.00 C ATOM 382 OE1 GLN A 25 -3.911 -12.044 8.579 1.00 0.00 O ATOM 383 NE2 GLN A 25 -2.549 -13.761 9.007 1.00 0.00 N ATOM 0 H GLN A 25 0.909 -12.851 7.441 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.698 -13.604 6.605 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.276 -10.941 6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.960 -11.081 6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.725 -12.020 9.039 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.766 -10.628 8.819 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.591 -14.104 9.077 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.331 -14.389 9.193 1.00 0.00 H new ATOM 392 N LEU A 26 0.403 -12.445 4.367 1.00 0.00 N ATOM 393 CA LEU A 26 0.664 -12.329 2.938 1.00 0.00 C ATOM 394 C LEU A 26 0.400 -13.661 2.254 1.00 0.00 C ATOM 395 O LEU A 26 -0.136 -13.711 1.141 1.00 0.00 O ATOM 396 CB LEU A 26 2.112 -11.879 2.703 1.00 0.00 C ATOM 397 CG LEU A 26 2.571 -11.806 1.245 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.694 -10.853 0.451 1.00 0.00 C ATOM 399 CD2 LEU A 26 4.024 -11.376 1.175 1.00 0.00 C ATOM 0 H LEU A 26 1.207 -12.227 4.955 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.004 -11.581 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.241 -10.894 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.773 -12.562 3.236 1.00 0.00 H new ATOM 0 HG LEU A 26 2.478 -12.798 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.039 -10.817 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.661 -11.201 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.752 -9.856 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.339 -11.328 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.135 -10.393 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.643 -12.097 1.708 1.00 0.00 H new ATOM 411 N LYS A 27 0.770 -14.739 2.936 1.00 0.00 N ATOM 412 CA LYS A 27 0.513 -16.080 2.450 1.00 0.00 C ATOM 413 C LYS A 27 -0.987 -16.262 2.257 1.00 0.00 C ATOM 414 O LYS A 27 -1.442 -16.742 1.218 1.00 0.00 O ATOM 415 CB LYS A 27 1.026 -17.115 3.460 1.00 0.00 C ATOM 416 CG LYS A 27 0.930 -18.553 2.972 1.00 0.00 C ATOM 417 CD LYS A 27 2.015 -18.868 1.954 1.00 0.00 C ATOM 418 CE LYS A 27 3.354 -19.143 2.623 1.00 0.00 C ATOM 419 NZ LYS A 27 3.347 -20.427 3.362 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.253 -14.704 3.834 1.00 0.00 H new ATOM 0 HA LYS A 27 1.031 -16.224 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.066 -16.891 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.459 -17.017 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.016 -19.233 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.050 -18.723 2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.719 -19.735 1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.119 -18.032 1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.140 -19.162 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.591 -18.330 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.282 -20.587 3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.625 -20.393 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.129 -21.204 2.706 1.00 0.00 H new ATOM 433 N GLU A 28 -1.748 -15.847 3.266 1.00 0.00 N ATOM 434 CA GLU A 28 -3.191 -15.941 3.233 1.00 0.00 C ATOM 435 C GLU A 28 -3.790 -15.037 2.163 1.00 0.00 C ATOM 436 O GLU A 28 -4.757 -15.405 1.525 1.00 0.00 O ATOM 437 CB GLU A 28 -3.790 -15.601 4.591 1.00 0.00 C ATOM 438 CG GLU A 28 -3.604 -16.674 5.647 1.00 0.00 C ATOM 439 CD GLU A 28 -4.564 -16.501 6.800 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.212 -15.826 7.785 1.00 0.00 O ATOM 441 OE2 GLU A 28 -5.695 -17.025 6.717 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.376 -15.439 4.123 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.438 -16.973 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.342 -14.674 4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.856 -15.412 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.750 -17.656 5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.580 -16.643 6.019 1.00 0.00 H new ATOM 448 N VAL A 29 -3.211 -13.850 1.978 1.00 0.00 N ATOM 449 CA VAL A 29 -3.696 -12.900 0.968 1.00 0.00 C ATOM 450 C VAL A 29 -3.687 -13.530 -0.420 1.00 0.00 C ATOM 451 O VAL A 29 -4.704 -13.537 -1.122 1.00 0.00 O ATOM 452 CB VAL A 29 -2.845 -11.604 0.932 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.320 -10.679 -0.180 1.00 0.00 C ATOM 454 CG2 VAL A 29 -2.896 -10.888 2.270 1.00 0.00 C ATOM 0 H VAL A 29 -2.407 -13.521 2.512 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.716 -12.641 1.252 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.811 -11.885 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.710 -9.776 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.228 -11.187 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.363 -10.411 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.292 -9.982 2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.928 -10.624 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.505 -11.543 3.048 1.00 0.00 H new ATOM 464 N VAL A 30 -2.542 -14.071 -0.803 1.00 0.00 N ATOM 465 CA VAL A 30 -2.398 -14.703 -2.100 1.00 0.00 C ATOM 466 C VAL A 30 -3.274 -15.949 -2.187 1.00 0.00 C ATOM 467 O VAL A 30 -3.927 -16.192 -3.205 1.00 0.00 O ATOM 468 CB VAL A 30 -0.925 -15.073 -2.386 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.780 -15.716 -3.761 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.047 -13.836 -2.276 1.00 0.00 C ATOM 0 H VAL A 30 -1.698 -14.084 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.721 -13.986 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.601 -15.801 -1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.266 -15.967 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.383 -16.623 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.120 -15.018 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.989 -14.106 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.376 -13.091 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.124 -13.424 -1.270 1.00 0.00 H new ATOM 480 N ALA A 31 -3.307 -16.712 -1.104 1.00 0.00 N ATOM 481 CA ALA A 31 -4.116 -17.920 -1.040 1.00 0.00 C ATOM 482 C ALA A 31 -5.600 -17.586 -1.160 1.00 0.00 C ATOM 483 O ALA A 31 -6.358 -18.311 -1.798 1.00 0.00 O ATOM 484 CB ALA A 31 -3.845 -18.663 0.253 1.00 0.00 C ATOM 0 H ALA A 31 -2.780 -16.514 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.843 -18.561 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.456 -19.565 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.791 -18.937 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.093 -18.023 1.099 1.00 0.00 H new ATOM 490 N LYS A 32 -5.993 -16.482 -0.550 1.00 0.00 N ATOM 491 CA LYS A 32 -7.359 -16.006 -0.574 1.00 0.00 C ATOM 492 C LYS A 32 -7.737 -15.557 -1.978 1.00 0.00 C ATOM 493 O LYS A 32 -8.783 -15.936 -2.500 1.00 0.00 O ATOM 494 CB LYS A 32 -7.485 -14.836 0.401 1.00 0.00 C ATOM 495 CG LYS A 32 -8.865 -14.227 0.511 1.00 0.00 C ATOM 496 CD LYS A 32 -8.822 -12.953 1.343 1.00 0.00 C ATOM 497 CE LYS A 32 -8.333 -13.217 2.765 1.00 0.00 C ATOM 498 NZ LYS A 32 -9.249 -14.111 3.517 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.361 -15.884 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.033 -16.810 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.176 -15.175 1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.786 -14.056 0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.251 -14.005 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.549 -14.943 0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.166 -12.228 0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.817 -12.509 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.340 -13.665 2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.236 -12.270 3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.952 -14.154 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.219 -13.741 3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.218 -15.066 3.105 1.00 0.00 H new ATOM 512 N ARG A 33 -6.864 -14.764 -2.585 1.00 0.00 N ATOM 513 CA ARG A 33 -7.094 -14.233 -3.921 1.00 0.00 C ATOM 514 C ARG A 33 -7.192 -15.351 -4.953 1.00 0.00 C ATOM 515 O ARG A 33 -8.123 -15.393 -5.757 1.00 0.00 O ATOM 516 CB ARG A 33 -5.961 -13.277 -4.317 1.00 0.00 C ATOM 517 CG ARG A 33 -6.196 -12.569 -5.645 1.00 0.00 C ATOM 518 CD ARG A 33 -5.104 -11.551 -5.944 1.00 0.00 C ATOM 519 NE ARG A 33 -5.069 -10.475 -4.947 1.00 0.00 N ATOM 520 CZ ARG A 33 -4.599 -9.245 -5.174 1.00 0.00 C ATOM 521 NH1 ARG A 33 -4.103 -8.919 -6.368 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -4.631 -8.343 -4.204 1.00 0.00 N ATOM 0 H ARG A 33 -5.981 -14.472 -2.167 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.040 -13.693 -3.901 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.837 -12.530 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.028 -13.837 -4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.236 -13.306 -6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.164 -12.068 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.137 -12.053 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.268 -11.124 -6.933 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.429 -10.680 -4.015 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.080 -9.611 -7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.746 -7.978 -6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.013 -8.589 -3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.274 -7.402 -4.370 1.00 0.00 H new ATOM 536 N GLN A 34 -6.239 -16.257 -4.910 1.00 0.00 N ATOM 537 CA GLN A 34 -6.151 -17.329 -5.888 1.00 0.00 C ATOM 538 C GLN A 34 -7.102 -18.480 -5.580 1.00 0.00 C ATOM 539 O GLN A 34 -7.626 -19.118 -6.492 1.00 0.00 O ATOM 540 CB GLN A 34 -4.713 -17.824 -5.972 1.00 0.00 C ATOM 541 CG GLN A 34 -3.741 -16.746 -6.422 1.00 0.00 C ATOM 542 CD GLN A 34 -4.009 -16.288 -7.839 1.00 0.00 C ATOM 543 OE1 GLN A 34 -4.498 -17.051 -8.667 1.00 0.00 O ATOM 544 NE2 GLN A 34 -3.695 -15.043 -8.130 1.00 0.00 N ATOM 0 H GLN A 34 -5.505 -16.275 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.457 -16.926 -6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.406 -18.199 -4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.663 -18.663 -6.666 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.810 -15.893 -5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.722 -17.126 -6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.290 -14.439 -7.415 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.857 -14.683 -9.071 1.00 0.00 H new ATOM 553 N GLY A 35 -7.337 -18.734 -4.307 1.00 0.00 N ATOM 554 CA GLY A 35 -8.203 -19.826 -3.924 1.00 0.00 C ATOM 555 C GLY A 35 -7.425 -21.109 -3.727 1.00 0.00 C ATOM 556 O GLY A 35 -7.838 -22.176 -4.184 1.00 0.00 O ATOM 0 H GLY A 35 -6.944 -18.204 -3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.725 -19.571 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.963 -19.975 -4.691 1.00 0.00 H new ATOM 560 N VAL A 36 -6.297 -21.002 -3.048 1.00 0.00 N ATOM 561 CA VAL A 36 -5.433 -22.149 -2.798 1.00 0.00 C ATOM 562 C VAL A 36 -5.156 -22.294 -1.305 1.00 0.00 C ATOM 563 O VAL A 36 -5.290 -21.330 -0.554 1.00 0.00 O ATOM 564 CB VAL A 36 -4.083 -22.026 -3.554 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.301 -22.055 -5.059 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.343 -20.756 -3.141 1.00 0.00 C ATOM 0 H VAL A 36 -5.953 -20.126 -2.656 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.958 -23.031 -3.164 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.466 -22.883 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.341 -21.967 -5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.776 -22.995 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.943 -21.223 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.400 -20.692 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.956 -19.885 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.144 -20.783 -2.070 1.00 0.00 H new ATOM 576 N PRO A 37 -4.796 -23.506 -0.850 1.00 0.00 N ATOM 577 CA PRO A 37 -4.458 -23.751 0.557 1.00 0.00 C ATOM 578 C PRO A 37 -3.174 -23.023 0.957 1.00 0.00 C ATOM 579 O PRO A 37 -2.102 -23.282 0.403 1.00 0.00 O ATOM 580 CB PRO A 37 -4.244 -25.274 0.620 1.00 0.00 C ATOM 581 CG PRO A 37 -4.862 -25.808 -0.627 1.00 0.00 C ATOM 582 CD PRO A 37 -4.712 -24.733 -1.652 1.00 0.00 C ATOM 0 HA PRO A 37 -5.232 -23.393 1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.184 -25.521 0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.713 -25.701 1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.366 -26.724 -0.947 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.912 -26.052 -0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.761 -24.807 -2.180 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.499 -24.779 -2.405 1.00 0.00 H new ATOM 590 N ALA A 38 -3.284 -22.128 1.927 1.00 0.00 N ATOM 591 CA ALA A 38 -2.153 -21.319 2.364 1.00 0.00 C ATOM 592 C ALA A 38 -1.109 -22.146 3.106 1.00 0.00 C ATOM 593 O ALA A 38 0.069 -21.784 3.137 1.00 0.00 O ATOM 594 CB ALA A 38 -2.633 -20.168 3.231 1.00 0.00 C ATOM 0 H ALA A 38 -4.151 -21.942 2.431 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.673 -20.919 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.778 -19.572 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.318 -19.542 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.148 -20.562 4.107 1.00 0.00 H new ATOM 600 N ASP A 39 -1.536 -23.258 3.691 1.00 0.00 N ATOM 601 CA ASP A 39 -0.617 -24.121 4.435 1.00 0.00 C ATOM 602 C ASP A 39 0.358 -24.803 3.489 1.00 0.00 C ATOM 603 O ASP A 39 1.531 -24.992 3.821 1.00 0.00 O ATOM 604 CB ASP A 39 -1.370 -25.185 5.244 1.00 0.00 C ATOM 605 CG ASP A 39 -2.352 -24.609 6.239 1.00 0.00 C ATOM 606 OD1 ASP A 39 -1.933 -23.861 7.141 1.00 0.00 O ATOM 607 OD2 ASP A 39 -3.561 -24.926 6.136 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.502 -23.584 3.668 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.068 -23.485 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.905 -25.840 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.647 -25.803 5.776 1.00 0.00 H new ATOM 612 N GLN A 40 -0.127 -25.170 2.310 1.00 0.00 N ATOM 613 CA GLN A 40 0.712 -25.833 1.317 1.00 0.00 C ATOM 614 C GLN A 40 1.397 -24.816 0.408 1.00 0.00 C ATOM 615 O GLN A 40 2.400 -25.127 -0.235 1.00 0.00 O ATOM 616 CB GLN A 40 -0.101 -26.823 0.461 1.00 0.00 C ATOM 617 CG GLN A 40 -0.527 -28.103 1.181 1.00 0.00 C ATOM 618 CD GLN A 40 -1.735 -27.921 2.084 1.00 0.00 C ATOM 619 OE1 GLN A 40 -1.607 -27.608 3.264 1.00 0.00 O ATOM 620 NE2 GLN A 40 -2.915 -28.134 1.538 1.00 0.00 N ATOM 0 H GLN A 40 -1.093 -25.021 2.017 1.00 0.00 H new ATOM 0 HA GLN A 40 1.473 -26.389 1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.994 -26.316 0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.491 -27.096 -0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.751 -28.870 0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.309 -28.470 1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.982 -28.393 0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.761 -28.040 2.100 1.00 0.00 H new ATOM 629 N LEU A 41 0.849 -23.609 0.364 1.00 0.00 N ATOM 630 CA LEU A 41 1.366 -22.537 -0.486 1.00 0.00 C ATOM 631 C LEU A 41 2.812 -22.170 -0.115 1.00 0.00 C ATOM 632 O LEU A 41 3.132 -21.962 1.058 1.00 0.00 O ATOM 633 CB LEU A 41 0.447 -21.311 -0.388 1.00 0.00 C ATOM 634 CG LEU A 41 0.813 -20.118 -1.272 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.790 -20.513 -2.735 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.137 -18.959 -1.024 1.00 0.00 C ATOM 0 H LEU A 41 0.033 -23.342 0.915 1.00 0.00 H new ATOM 0 HA LEU A 41 1.379 -22.891 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.567 -21.623 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.432 -20.976 0.649 1.00 0.00 H new ATOM 0 HG LEU A 41 1.823 -19.799 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.053 -19.651 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.509 -21.314 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.209 -20.858 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.139 -18.119 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.157 -19.269 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.076 -18.656 0.021 1.00 0.00 H new ATOM 648 N ARG A 42 3.670 -22.092 -1.128 1.00 0.00 N ATOM 649 CA ARG A 42 5.087 -21.794 -0.935 1.00 0.00 C ATOM 650 C ARG A 42 5.421 -20.371 -1.380 1.00 0.00 C ATOM 651 O ARG A 42 5.025 -19.946 -2.466 1.00 0.00 O ATOM 652 CB ARG A 42 5.938 -22.788 -1.740 1.00 0.00 C ATOM 653 CG ARG A 42 7.432 -22.479 -1.740 1.00 0.00 C ATOM 654 CD ARG A 42 8.065 -22.780 -0.396 1.00 0.00 C ATOM 655 NE ARG A 42 8.102 -24.221 -0.130 1.00 0.00 N ATOM 656 CZ ARG A 42 8.807 -24.798 0.849 1.00 0.00 C ATOM 657 NH1 ARG A 42 9.465 -24.058 1.737 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 8.834 -26.122 0.948 1.00 0.00 N ATOM 0 H ARG A 42 3.405 -22.233 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 42 5.309 -21.884 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.786 -23.789 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.582 -22.802 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.925 -23.066 -2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.587 -21.429 -1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.078 -22.378 -0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.504 -22.278 0.392 1.00 0.00 H new ATOM 0 HE ARG A 42 7.550 -24.828 -0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.435 -23.040 1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.000 -24.508 2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.319 -26.694 0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.370 -26.567 1.693 1.00 0.00 H new ATOM 672 N VAL A 43 6.157 -19.645 -0.545 1.00 0.00 N ATOM 673 CA VAL A 43 6.590 -18.299 -0.893 1.00 0.00 C ATOM 674 C VAL A 43 8.114 -18.199 -0.908 1.00 0.00 C ATOM 675 O VAL A 43 8.786 -18.640 0.025 1.00 0.00 O ATOM 676 CB VAL A 43 6.005 -17.211 0.054 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.495 -17.122 -0.093 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.388 -17.477 1.507 1.00 0.00 C ATOM 0 H VAL A 43 6.464 -19.965 0.373 1.00 0.00 H new ATOM 0 HA VAL A 43 6.202 -18.108 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 43 6.436 -16.253 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.109 -16.355 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.244 -16.863 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.048 -18.084 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.964 -16.700 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.000 -18.448 1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.474 -17.473 1.604 1.00 0.00 H new ATOM 688 N ILE A 44 8.644 -17.642 -1.980 1.00 0.00 N ATOM 689 CA ILE A 44 10.077 -17.454 -2.139 1.00 0.00 C ATOM 690 C ILE A 44 10.364 -16.006 -2.533 1.00 0.00 C ATOM 691 O ILE A 44 9.680 -15.438 -3.380 1.00 0.00 O ATOM 692 CB ILE A 44 10.658 -18.412 -3.229 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.482 -19.885 -2.819 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.128 -18.105 -3.506 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.235 -20.275 -1.559 1.00 0.00 C ATOM 0 H ILE A 44 8.092 -17.305 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 44 10.556 -17.685 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 44 10.098 -18.244 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.421 -20.085 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.815 -20.521 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.505 -18.787 -4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.225 -17.078 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.705 -18.230 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.058 -21.328 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.302 -20.110 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.886 -19.667 -0.724 1.00 0.00 H new ATOM 707 N PHE A 45 11.352 -15.413 -1.907 1.00 0.00 N ATOM 708 CA PHE A 45 11.722 -14.048 -2.206 1.00 0.00 C ATOM 709 C PHE A 45 13.231 -13.908 -2.236 1.00 0.00 C ATOM 710 O PHE A 45 13.909 -14.308 -1.296 1.00 0.00 O ATOM 711 CB PHE A 45 11.120 -13.084 -1.184 1.00 0.00 C ATOM 712 CG PHE A 45 11.508 -11.654 -1.418 1.00 0.00 C ATOM 713 CD1 PHE A 45 10.961 -10.941 -2.469 1.00 0.00 C ATOM 714 CD2 PHE A 45 12.422 -11.024 -0.590 1.00 0.00 C ATOM 715 CE1 PHE A 45 11.319 -9.629 -2.692 1.00 0.00 C ATOM 716 CE2 PHE A 45 12.782 -9.713 -0.809 1.00 0.00 C ATOM 717 CZ PHE A 45 12.230 -9.014 -1.861 1.00 0.00 C ATOM 0 H PHE A 45 11.918 -15.856 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 45 11.325 -13.794 -3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.034 -13.168 -1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.437 -13.381 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.245 -11.418 -3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.857 -11.567 0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.886 -9.083 -3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.496 -9.233 -0.157 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.511 -7.986 -2.034 1.00 0.00 H new ATOM 727 N ALA A 46 13.747 -13.367 -3.337 1.00 0.00 N ATOM 728 CA ALA A 46 15.183 -13.133 -3.517 1.00 0.00 C ATOM 729 C ALA A 46 15.977 -14.440 -3.480 1.00 0.00 C ATOM 730 O ALA A 46 17.193 -14.432 -3.289 1.00 0.00 O ATOM 731 CB ALA A 46 15.704 -12.153 -2.467 1.00 0.00 C ATOM 0 H ALA A 46 13.181 -13.076 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 46 15.324 -12.692 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.772 -11.992 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.177 -11.204 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.535 -12.563 -1.471 1.00 0.00 H new ATOM 737 N GLY A 47 15.286 -15.556 -3.675 1.00 0.00 N ATOM 738 CA GLY A 47 15.940 -16.849 -3.662 1.00 0.00 C ATOM 739 C GLY A 47 15.885 -17.524 -2.303 1.00 0.00 C ATOM 740 O GLY A 47 16.393 -18.634 -2.131 1.00 0.00 O ATOM 0 H GLY A 47 14.280 -15.588 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.470 -17.496 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.981 -16.727 -3.960 1.00 0.00 H new ATOM 744 N LYS A 48 15.267 -16.862 -1.340 1.00 0.00 N ATOM 745 CA LYS A 48 15.153 -17.401 0.007 1.00 0.00 C ATOM 746 C LYS A 48 13.703 -17.411 0.461 1.00 0.00 C ATOM 747 O LYS A 48 12.820 -16.933 -0.248 1.00 0.00 O ATOM 748 CB LYS A 48 15.989 -16.579 0.993 1.00 0.00 C ATOM 749 CG LYS A 48 15.681 -15.091 0.973 1.00 0.00 C ATOM 750 CD LYS A 48 16.050 -14.435 2.282 1.00 0.00 C ATOM 751 CE LYS A 48 15.935 -12.917 2.200 1.00 0.00 C ATOM 752 NZ LYS A 48 16.308 -12.254 3.480 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.834 -15.947 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 48 15.528 -18.424 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.823 -16.961 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.045 -16.724 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.228 -14.615 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.620 -14.940 0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.399 -14.808 3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.070 -14.709 2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.578 -12.548 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.913 -12.646 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.215 -11.223 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.678 -12.585 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.292 -12.490 3.719 1.00 0.00 H new ATOM 766 N GLU A 49 13.462 -17.952 1.638 1.00 0.00 N ATOM 767 CA GLU A 49 12.131 -17.969 2.203 1.00 0.00 C ATOM 768 C GLU A 49 12.106 -17.087 3.438 1.00 0.00 C ATOM 769 O GLU A 49 12.985 -17.180 4.294 1.00 0.00 O ATOM 770 CB GLU A 49 11.691 -19.396 2.549 1.00 0.00 C ATOM 771 CG GLU A 49 10.246 -19.490 3.023 1.00 0.00 C ATOM 772 CD GLU A 49 9.823 -20.905 3.342 1.00 0.00 C ATOM 773 OE1 GLU A 49 10.206 -21.415 4.419 1.00 0.00 O ATOM 774 OE2 GLU A 49 9.095 -21.514 2.526 1.00 0.00 O1- ATOM 0 H GLU A 49 14.175 -18.387 2.223 1.00 0.00 H new ATOM 0 HA GLU A 49 11.428 -17.584 1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.819 -20.030 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.346 -19.791 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.119 -18.869 3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.589 -19.085 2.253 1.00 0.00 H new ATOM 781 N LEU A 50 11.120 -16.224 3.508 1.00 0.00 N ATOM 782 CA LEU A 50 10.988 -15.278 4.606 1.00 0.00 C ATOM 783 C LEU A 50 10.392 -15.946 5.839 1.00 0.00 C ATOM 784 O LEU A 50 9.940 -17.092 5.783 1.00 0.00 O ATOM 785 CB LEU A 50 10.098 -14.116 4.176 1.00 0.00 C ATOM 786 CG LEU A 50 10.396 -13.533 2.797 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.416 -12.428 2.460 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.830 -13.029 2.719 1.00 0.00 C ATOM 0 H LEU A 50 10.382 -16.153 2.807 1.00 0.00 H new ATOM 0 HA LEU A 50 11.982 -14.911 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.061 -14.450 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.188 -13.320 4.915 1.00 0.00 H new ATOM 0 HG LEU A 50 10.279 -14.327 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.646 -12.026 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.402 -12.828 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.494 -11.634 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.018 -12.618 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.984 -12.252 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.517 -13.855 2.906 1.00 0.00 H new ATOM 800 N ARG A 51 10.378 -15.220 6.943 1.00 0.00 N ATOM 801 CA ARG A 51 9.816 -15.730 8.180 1.00 0.00 C ATOM 802 C ARG A 51 8.396 -15.217 8.364 1.00 0.00 C ATOM 803 O ARG A 51 8.115 -14.040 8.148 1.00 0.00 O ATOM 804 CB ARG A 51 10.693 -15.391 9.404 1.00 0.00 C ATOM 805 CG ARG A 51 11.037 -13.916 9.569 1.00 0.00 C ATOM 806 CD ARG A 51 12.249 -13.519 8.738 1.00 0.00 C ATOM 807 NE ARG A 51 12.594 -12.113 8.913 1.00 0.00 N ATOM 808 CZ ARG A 51 13.381 -11.422 8.089 1.00 0.00 C ATOM 809 NH1 ARG A 51 13.915 -12.009 7.027 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 13.640 -10.145 8.336 1.00 0.00 N ATOM 0 H ARG A 51 10.751 -14.273 7.007 1.00 0.00 H new ATOM 0 HA ARG A 51 9.790 -16.817 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.179 -15.730 10.304 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.621 -15.958 9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.181 -13.309 9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.233 -13.704 10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.100 -14.139 9.019 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.046 -13.714 7.685 1.00 0.00 H new ATOM 0 HE ARG A 51 12.207 -11.625 9.721 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.724 -12.993 6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.517 -11.477 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.237 -9.692 9.156 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.242 -9.616 7.706 1.00 0.00 H new ATOM 824 N ASN A 52 7.515 -16.111 8.772 1.00 0.00 N ATOM 825 CA ASN A 52 6.083 -15.822 8.900 1.00 0.00 C ATOM 826 C ASN A 52 5.775 -14.724 9.926 1.00 0.00 C ATOM 827 O ASN A 52 4.766 -14.039 9.811 1.00 0.00 O ATOM 828 CB ASN A 52 5.314 -17.104 9.272 1.00 0.00 C ATOM 829 CG ASN A 52 5.543 -17.544 10.713 1.00 0.00 C ATOM 830 OD1 ASN A 52 4.827 -17.129 11.624 1.00 0.00 O ATOM 831 ND2 ASN A 52 6.532 -18.394 10.925 1.00 0.00 N ATOM 0 H ASN A 52 7.766 -17.066 9.028 1.00 0.00 H new ATOM 0 HA ASN A 52 5.756 -15.452 7.928 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.248 -16.939 9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.615 -17.908 8.601 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.723 -18.729 11.869 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.104 -18.716 10.144 1.00 0.00 H new ATOM 838 N ASP A 53 6.644 -14.547 10.910 1.00 0.00 N ATOM 839 CA ASP A 53 6.384 -13.590 11.992 1.00 0.00 C ATOM 840 C ASP A 53 6.886 -12.180 11.660 1.00 0.00 C ATOM 841 O ASP A 53 6.898 -11.298 12.526 1.00 0.00 O ATOM 842 CB ASP A 53 7.020 -14.076 13.303 1.00 0.00 C ATOM 843 CG ASP A 53 8.530 -13.938 13.319 1.00 0.00 C ATOM 844 OD1 ASP A 53 9.212 -14.690 12.592 1.00 0.00 O ATOM 845 OD2 ASP A 53 9.044 -13.078 14.066 1.00 0.00 O1- ATOM 0 H ASP A 53 7.530 -15.046 10.988 1.00 0.00 H new ATOM 0 HA ASP A 53 5.302 -13.533 12.110 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.601 -13.510 14.135 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.755 -15.121 13.463 1.00 0.00 H new ATOM 850 N TRP A 54 7.271 -11.959 10.421 1.00 0.00 N ATOM 851 CA TRP A 54 7.791 -10.665 10.013 1.00 0.00 C ATOM 852 C TRP A 54 6.793 -9.947 9.096 1.00 0.00 C ATOM 853 O TRP A 54 5.895 -10.573 8.542 1.00 0.00 O ATOM 854 CB TRP A 54 9.147 -10.849 9.322 1.00 0.00 C ATOM 855 CG TRP A 54 9.942 -9.586 9.148 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.502 -9.128 7.994 1.00 0.00 C ATOM 857 CD2 TRP A 54 10.267 -8.623 10.161 1.00 0.00 C ATOM 858 NE1 TRP A 54 11.163 -7.946 8.227 1.00 0.00 N ATOM 859 CE2 TRP A 54 11.029 -7.614 9.546 1.00 0.00 C ATOM 860 CE3 TRP A 54 9.990 -8.516 11.525 1.00 0.00 C ATOM 861 CZ2 TRP A 54 11.516 -6.518 10.247 1.00 0.00 C ATOM 862 CZ3 TRP A 54 10.472 -7.424 12.218 1.00 0.00 C ATOM 863 CH2 TRP A 54 11.228 -6.440 11.577 1.00 0.00 C ATOM 0 H TRP A 54 7.235 -12.656 9.677 1.00 0.00 H new ATOM 0 HA TRP A 54 7.934 -10.041 10.896 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.740 -11.558 9.899 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.982 -11.296 8.342 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.436 -9.622 7.036 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.672 -7.404 7.528 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.409 -9.274 12.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.102 -5.755 9.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.261 -7.329 13.273 1.00 0.00 H new ATOM 0 HH2 TRP A 54 11.592 -5.599 12.148 1.00 0.00 H new ATOM 874 N THR A 55 6.949 -8.641 8.961 1.00 0.00 N ATOM 875 CA THR A 55 6.072 -7.837 8.121 1.00 0.00 C ATOM 876 C THR A 55 6.674 -7.653 6.727 1.00 0.00 C ATOM 877 O THR A 55 7.895 -7.640 6.566 1.00 0.00 O ATOM 878 CB THR A 55 5.795 -6.454 8.765 1.00 0.00 C ATOM 879 OG1 THR A 55 5.085 -5.607 7.850 1.00 0.00 O ATOM 880 CG2 THR A 55 7.091 -5.782 9.183 1.00 0.00 C ATOM 0 H THR A 55 7.683 -8.108 9.428 1.00 0.00 H new ATOM 0 HA THR A 55 5.126 -8.370 8.028 1.00 0.00 H new ATOM 0 HB THR A 55 5.182 -6.615 9.652 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.445 -4.697 7.901 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.870 -4.814 9.632 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.608 -6.409 9.909 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.726 -5.640 8.308 1.00 0.00 H new ATOM 888 N VAL A 56 5.814 -7.495 5.730 1.00 0.00 N ATOM 889 CA VAL A 56 6.243 -7.373 4.345 1.00 0.00 C ATOM 890 C VAL A 56 6.916 -6.022 4.076 1.00 0.00 C ATOM 891 O VAL A 56 7.790 -5.913 3.207 1.00 0.00 O ATOM 892 CB VAL A 56 5.047 -7.576 3.369 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.002 -6.485 3.537 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.522 -7.646 1.929 1.00 0.00 C ATOM 0 H VAL A 56 4.803 -7.448 5.858 1.00 0.00 H new ATOM 0 HA VAL A 56 6.978 -8.158 4.169 1.00 0.00 H new ATOM 0 HB VAL A 56 4.580 -8.528 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.181 -6.657 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.621 -6.500 4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.453 -5.514 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.666 -7.788 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.031 -6.718 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.211 -8.482 1.814 1.00 0.00 H new ATOM 904 N GLN A 57 6.534 -5.006 4.837 1.00 0.00 N ATOM 905 CA GLN A 57 7.077 -3.671 4.632 1.00 0.00 C ATOM 906 C GLN A 57 8.530 -3.596 5.075 1.00 0.00 C ATOM 907 O GLN A 57 9.392 -3.119 4.336 1.00 0.00 O ATOM 908 CB GLN A 57 6.244 -2.629 5.375 1.00 0.00 C ATOM 909 CG GLN A 57 6.675 -1.189 5.125 1.00 0.00 C ATOM 910 CD GLN A 57 6.616 -0.803 3.659 1.00 0.00 C ATOM 911 OE1 GLN A 57 7.594 -0.955 2.927 1.00 0.00 O ATOM 912 NE2 GLN A 57 5.471 -0.303 3.218 1.00 0.00 N ATOM 0 H GLN A 57 5.856 -5.079 5.596 1.00 0.00 H new ATOM 0 HA GLN A 57 7.034 -3.456 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.200 -2.740 5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.299 -2.832 6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.035 -0.518 5.698 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.692 -1.050 5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.683 -0.193 3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.377 -0.028 2.240 1.00 0.00 H new ATOM 921 N ASN A 58 8.803 -4.089 6.270 1.00 0.00 N ATOM 922 CA ASN A 58 10.157 -4.063 6.807 1.00 0.00 C ATOM 923 C ASN A 58 10.993 -5.202 6.244 1.00 0.00 C ATOM 924 O ASN A 58 12.176 -5.336 6.555 1.00 0.00 O ATOM 925 CB ASN A 58 10.144 -4.104 8.335 1.00 0.00 C ATOM 926 CG ASN A 58 9.504 -2.873 8.948 1.00 0.00 C ATOM 927 OD1 ASN A 58 8.297 -2.837 9.180 1.00 0.00 O ATOM 928 ND2 ASN A 58 10.303 -1.859 9.209 1.00 0.00 N ATOM 0 H ASN A 58 8.109 -4.511 6.887 1.00 0.00 H new ATOM 0 HA ASN A 58 10.616 -3.124 6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.605 -4.992 8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.167 -4.197 8.701 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.925 -1.004 9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.299 -1.928 9.002 1.00 0.00 H new ATOM 935 N CYS A 59 10.365 -6.031 5.432 1.00 0.00 N ATOM 936 CA CYS A 59 11.061 -7.105 4.756 1.00 0.00 C ATOM 937 C CYS A 59 11.479 -6.622 3.373 1.00 0.00 C ATOM 938 O CYS A 59 12.446 -7.118 2.791 1.00 0.00 O ATOM 939 CB CYS A 59 10.154 -8.332 4.641 1.00 0.00 C ATOM 940 SG CYS A 59 11.018 -9.869 4.256 1.00 0.00 S ATOM 0 H CYS A 59 9.368 -5.979 5.225 1.00 0.00 H new ATOM 0 HA CYS A 59 11.945 -7.390 5.327 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.615 -8.459 5.580 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.409 -8.146 3.868 1.00 0.00 H new ATOM 0 HG CYS A 59 10.462 -10.852 4.900 1.00 0.00 H new ATOM 946 N ASP A 60 10.736 -5.626 2.875 1.00 0.00 N ATOM 947 CA ASP A 60 10.985 -4.995 1.577 1.00 0.00 C ATOM 948 C ASP A 60 10.818 -5.963 0.425 1.00 0.00 C ATOM 949 O ASP A 60 11.790 -6.506 -0.083 1.00 0.00 O ATOM 950 CB ASP A 60 12.370 -4.335 1.515 1.00 0.00 C ATOM 951 CG ASP A 60 12.486 -3.114 2.393 1.00 0.00 C ATOM 952 OD1 ASP A 60 12.031 -2.035 1.978 1.00 0.00 O ATOM 953 OD2 ASP A 60 13.055 -3.221 3.496 1.00 0.00 O1- ATOM 0 H ASP A 60 9.936 -5.232 3.370 1.00 0.00 H new ATOM 0 HA ASP A 60 10.229 -4.216 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.125 -5.062 1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.586 -4.055 0.484 1.00 0.00 H new ATOM 958 N LEU A 61 9.574 -6.189 0.029 1.00 0.00 N ATOM 959 CA LEU A 61 9.288 -7.059 -1.110 1.00 0.00 C ATOM 960 C LEU A 61 8.959 -6.237 -2.347 1.00 0.00 C ATOM 961 O LEU A 61 8.784 -6.777 -3.440 1.00 0.00 O ATOM 962 CB LEU A 61 8.152 -8.044 -0.803 1.00 0.00 C ATOM 963 CG LEU A 61 8.545 -9.298 -0.008 1.00 0.00 C ATOM 964 CD1 LEU A 61 8.979 -8.945 1.402 1.00 0.00 C ATOM 965 CD2 LEU A 61 7.402 -10.301 0.014 1.00 0.00 C ATOM 0 H LEU A 61 8.749 -5.787 0.474 1.00 0.00 H new ATOM 0 HA LEU A 61 10.187 -7.643 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.378 -7.514 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.707 -8.361 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 61 9.396 -9.758 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.250 -9.855 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.840 -8.277 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.159 -8.449 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.702 -11.182 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.529 -9.847 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.156 -10.594 -1.006 1.00 0.00 H new ATOM 977 N ASP A 62 8.863 -4.925 -2.161 1.00 0.00 N ATOM 978 CA ASP A 62 8.614 -4.008 -3.270 1.00 0.00 C ATOM 979 C ASP A 62 9.859 -3.952 -4.127 1.00 0.00 C ATOM 980 O ASP A 62 9.805 -4.041 -5.353 1.00 0.00 O ATOM 981 CB ASP A 62 8.295 -2.605 -2.729 1.00 0.00 C ATOM 982 CG ASP A 62 7.801 -1.630 -3.794 1.00 0.00 C ATOM 983 OD1 ASP A 62 8.507 -1.414 -4.797 1.00 0.00 O ATOM 984 OD2 ASP A 62 6.711 -1.059 -3.613 1.00 0.00 O1- ATOM 0 H ASP A 62 8.954 -4.471 -1.252 1.00 0.00 H new ATOM 0 HA ASP A 62 7.765 -4.356 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.538 -2.690 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.190 -2.194 -2.261 1.00 0.00 H new ATOM 989 N GLN A 63 10.982 -3.839 -3.451 1.00 0.00 N ATOM 990 CA GLN A 63 12.280 -3.775 -4.090 1.00 0.00 C ATOM 991 C GLN A 63 13.074 -5.035 -3.772 1.00 0.00 C ATOM 992 O GLN A 63 12.562 -5.941 -3.120 1.00 0.00 O ATOM 993 CB GLN A 63 13.041 -2.544 -3.596 1.00 0.00 C ATOM 994 CG GLN A 63 12.328 -1.235 -3.869 1.00 0.00 C ATOM 995 CD GLN A 63 13.001 -0.052 -3.205 1.00 0.00 C ATOM 996 OE1 GLN A 63 13.618 -0.185 -2.143 1.00 0.00 O ATOM 997 NE2 GLN A 63 12.879 1.109 -3.812 1.00 0.00 N ATOM 0 H GLN A 63 11.021 -3.788 -2.433 1.00 0.00 H new ATOM 0 HA GLN A 63 12.144 -3.701 -5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.209 -2.639 -2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.021 -2.519 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.286 -1.067 -4.945 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.299 -1.307 -3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.361 1.174 -4.688 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.303 1.944 -3.407 1.00 0.00 H new ATOM 1006 N GLN A 64 14.323 -5.077 -4.239 1.00 0.00 N ATOM 1007 CA GLN A 64 15.233 -6.206 -3.988 1.00 0.00 C ATOM 1008 C GLN A 64 14.714 -7.499 -4.621 1.00 0.00 C ATOM 1009 O GLN A 64 14.573 -8.518 -3.940 1.00 0.00 O ATOM 1010 CB GLN A 64 15.464 -6.403 -2.476 1.00 0.00 C ATOM 1011 CG GLN A 64 15.990 -5.166 -1.753 1.00 0.00 C ATOM 1012 CD GLN A 64 17.317 -4.684 -2.302 1.00 0.00 C ATOM 1013 OE1 GLN A 64 17.364 -3.859 -3.216 1.00 0.00 O ATOM 1014 NE2 GLN A 64 18.400 -5.190 -1.749 1.00 0.00 N ATOM 0 H GLN A 64 14.736 -4.333 -4.801 1.00 0.00 H new ATOM 0 HA GLN A 64 16.187 -5.963 -4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 64 14.525 -6.707 -2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 64 16.170 -7.221 -2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.256 -4.364 -1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 64 16.101 -5.391 -0.692 1.00 0.00 H new ATOM 0 HE21 GLN A 64 18.317 -5.871 -0.994 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.322 -4.901 -2.076 1.00 0.00 H new HETATM 1023 N SEP A 65 14.456 -7.438 -5.936 1.00 0.00 N HETATM 1024 CA SEP A 65 13.954 -8.578 -6.728 1.00 0.00 C HETATM 1025 CB SEP A 65 14.718 -9.873 -6.410 1.00 0.00 C HETATM 1026 OG SEP A 65 16.107 -9.736 -6.713 1.00 0.00 O HETATM 1027 C SEP A 65 12.444 -8.774 -6.558 1.00 0.00 C HETATM 1028 O SEP A 65 11.830 -8.219 -5.644 1.00 0.00 O HETATM 1029 P SEP A 65 16.910 -10.959 -7.312 1.00 0.00 P HETATM 1030 O1P SEP A 65 18.356 -10.794 -7.269 1.00 0.00 O HETATM 1031 O2P SEP A 65 16.462 -12.261 -6.843 1.00 0.00 O HETATM 1032 O3P SEP A 65 16.563 -10.948 -8.857 1.00 0.00 O HETATM 0 HB3 SEP A 65 14.595 -10.122 -5.356 1.00 0.00 H new HETATM 0 HB2 SEP A 65 14.297 -10.698 -6.984 1.00 0.00 H new HETATM 0 HA SEP A 65 14.136 -8.335 -7.775 1.00 0.00 H new HETATM 0 H2 SEP A 65 14.037 -6.515 -6.048 1.00 0.00 H new ATOM 1037 N ILE A 66 11.852 -9.543 -7.459 1.00 0.00 N ATOM 1038 CA ILE A 66 10.420 -9.789 -7.435 1.00 0.00 C ATOM 1039 C ILE A 66 10.106 -11.050 -6.614 1.00 0.00 C ATOM 1040 O ILE A 66 10.952 -11.937 -6.480 1.00 0.00 O ATOM 1041 CB ILE A 66 9.850 -9.922 -8.881 1.00 0.00 C ATOM 1042 CG1 ILE A 66 8.329 -9.939 -8.877 1.00 0.00 C ATOM 1043 CG2 ILE A 66 10.376 -11.169 -9.561 1.00 0.00 C ATOM 1044 CD1 ILE A 66 7.716 -10.012 -10.261 1.00 0.00 C ATOM 0 H ILE A 66 12.346 -10.010 -8.220 1.00 0.00 H new ATOM 0 HA ILE A 66 9.938 -8.935 -6.960 1.00 0.00 H new ATOM 0 HB ILE A 66 10.185 -9.049 -9.441 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.986 -10.792 -8.292 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.966 -9.042 -8.376 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.963 -11.237 -10.567 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.463 -11.121 -9.618 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.081 -12.048 -8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.629 -10.020 -10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.029 -9.145 -10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.049 -10.923 -10.759 1.00 0.00 H new ATOM 1056 N VAL A 67 8.897 -11.119 -6.076 1.00 0.00 N ATOM 1057 CA VAL A 67 8.488 -12.238 -5.233 1.00 0.00 C ATOM 1058 C VAL A 67 8.058 -13.431 -6.087 1.00 0.00 C ATOM 1059 O VAL A 67 7.391 -13.263 -7.099 1.00 0.00 O ATOM 1060 CB VAL A 67 7.307 -11.836 -4.312 1.00 0.00 C ATOM 1061 CG1 VAL A 67 7.053 -12.902 -3.254 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.556 -10.480 -3.671 1.00 0.00 C ATOM 0 H VAL A 67 8.176 -10.409 -6.208 1.00 0.00 H new ATOM 0 HA VAL A 67 9.347 -12.515 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 67 6.412 -11.757 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.220 -12.596 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.811 -13.847 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.946 -13.027 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.714 -10.220 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.467 -10.522 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.666 -9.725 -4.449 1.00 0.00 H new ATOM 1072 N HIS A 68 8.459 -14.621 -5.682 1.00 0.00 N ATOM 1073 CA HIS A 68 8.084 -15.846 -6.383 1.00 0.00 C ATOM 1074 C HIS A 68 7.192 -16.705 -5.494 1.00 0.00 C ATOM 1075 O HIS A 68 7.578 -17.076 -4.394 1.00 0.00 O ATOM 1076 CB HIS A 68 9.329 -16.662 -6.777 1.00 0.00 C ATOM 1077 CG HIS A 68 10.241 -16.005 -7.775 1.00 0.00 C ATOM 1078 ND1 HIS A 68 11.370 -16.644 -8.234 1.00 0.00 N ATOM 1079 CD2 HIS A 68 10.161 -14.785 -8.355 1.00 0.00 C ATOM 1080 CE1 HIS A 68 11.945 -15.803 -9.073 1.00 0.00 C ATOM 1081 NE2 HIS A 68 11.251 -14.668 -9.178 1.00 0.00 N ATOM 0 H HIS A 68 9.050 -14.771 -4.864 1.00 0.00 H new ATOM 0 HA HIS A 68 7.546 -15.561 -7.287 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.901 -16.878 -5.875 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.002 -17.619 -7.184 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.388 -14.047 -8.200 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.861 -16.007 -9.607 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.487 -13.865 -9.761 1.00 0.00 H new ATOM 1089 N ILE A 69 6.005 -17.015 -5.961 1.00 0.00 N ATOM 1090 CA ILE A 69 5.101 -17.853 -5.198 1.00 0.00 C ATOM 1091 C ILE A 69 4.707 -19.070 -6.006 1.00 0.00 C ATOM 1092 O ILE A 69 4.109 -18.956 -7.083 1.00 0.00 O ATOM 1093 CB ILE A 69 3.839 -17.086 -4.737 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.230 -15.976 -3.759 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.835 -18.036 -4.098 1.00 0.00 C ATOM 1096 CD1 ILE A 69 3.050 -15.246 -3.159 1.00 0.00 C ATOM 0 H ILE A 69 5.641 -16.703 -6.861 1.00 0.00 H new ATOM 0 HA ILE A 69 5.633 -18.170 -4.301 1.00 0.00 H new ATOM 0 HB ILE A 69 3.367 -16.634 -5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.826 -16.407 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.865 -15.257 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.955 -17.476 -3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.540 -18.795 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.290 -18.518 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.408 -14.475 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.465 -14.784 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.425 -15.952 -2.612 1.00 0.00 H new ATOM 1108 N VAL A 70 5.038 -20.233 -5.494 1.00 0.00 N ATOM 1109 CA VAL A 70 4.761 -21.455 -6.199 1.00 0.00 C ATOM 1110 C VAL A 70 3.657 -22.243 -5.514 1.00 0.00 C ATOM 1111 O VAL A 70 3.656 -22.406 -4.292 1.00 0.00 O ATOM 1112 CB VAL A 70 6.033 -22.328 -6.319 1.00 0.00 C ATOM 1113 CG1 VAL A 70 5.742 -23.621 -7.065 1.00 0.00 C ATOM 1114 CG2 VAL A 70 7.146 -21.551 -7.010 1.00 0.00 C ATOM 0 H VAL A 70 5.499 -20.355 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 70 4.427 -21.185 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 70 6.361 -22.588 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.654 -24.214 -7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.981 -24.187 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.383 -23.390 -8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.034 -22.178 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.820 -21.259 -8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.381 -20.659 -6.430 1.00 0.00 H new ATOM 1124 N GLN A 71 2.712 -22.708 -6.310 1.00 0.00 N ATOM 1125 CA GLN A 71 1.616 -23.511 -5.831 1.00 0.00 C ATOM 1126 C GLN A 71 1.209 -24.510 -6.890 1.00 0.00 C ATOM 1127 O GLN A 71 1.165 -24.176 -8.076 1.00 0.00 O ATOM 1128 CB GLN A 71 0.426 -22.626 -5.466 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.829 -23.389 -5.058 1.00 0.00 C ATOM 1130 CD GLN A 71 -0.600 -24.331 -3.892 1.00 0.00 C ATOM 1131 OE1 GLN A 71 0.239 -24.084 -3.030 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -1.331 -25.429 -3.873 1.00 0.00 N ATOM 0 H GLN A 71 2.689 -22.534 -7.315 1.00 0.00 H new ATOM 0 HA GLN A 71 1.939 -24.046 -4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.717 -21.967 -4.648 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.188 -21.990 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.610 -22.676 -4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.194 -23.960 -5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.018 -25.597 -4.608 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.209 -26.110 -3.123 1.00 0.00 H new ATOM 1141 N ARG A 72 0.930 -25.727 -6.472 1.00 0.00 N ATOM 1142 CA ARG A 72 0.442 -26.740 -7.380 1.00 0.00 C ATOM 1143 C ARG A 72 -1.080 -26.639 -7.450 1.00 0.00 C ATOM 1144 O ARG A 72 -1.763 -26.880 -6.452 1.00 0.00 O ATOM 1145 CB ARG A 72 0.846 -28.135 -6.893 1.00 0.00 C ATOM 1146 CG ARG A 72 0.487 -29.250 -7.864 1.00 0.00 C ATOM 1147 CD ARG A 72 0.698 -30.624 -7.244 1.00 0.00 C ATOM 1148 NE ARG A 72 2.091 -30.862 -6.850 1.00 0.00 N ATOM 1149 CZ ARG A 72 2.513 -31.977 -6.237 1.00 0.00 C ATOM 1150 NH1 ARG A 72 1.653 -32.950 -5.959 1.00 0.00 N1+ ATOM 1151 NH2 ARG A 72 3.792 -32.120 -5.909 1.00 0.00 N ATOM 0 H ARG A 72 1.034 -26.038 -5.506 1.00 0.00 H new ATOM 0 HA ARG A 72 0.876 -26.582 -8.368 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.922 -28.151 -6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.363 -28.330 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.554 -29.145 -8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.095 -29.159 -8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.055 -30.725 -6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.391 -31.390 -7.956 1.00 0.00 H new ATOM 0 HE ARG A 72 2.779 -30.137 -7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.670 -32.849 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.975 -33.798 -5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.459 -31.379 -6.123 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.107 -32.971 -5.443 1.00 0.00 H new ATOM 1165 N PRO A 73 -1.636 -26.237 -8.606 1.00 0.00 N ATOM 1166 CA PRO A 73 -3.081 -26.109 -8.772 1.00 0.00 C ATOM 1167 C PRO A 73 -3.788 -27.447 -8.615 1.00 0.00 C ATOM 1168 O PRO A 73 -3.760 -28.288 -9.517 1.00 0.00 O ATOM 1169 CB PRO A 73 -3.252 -25.582 -10.202 1.00 0.00 C ATOM 1170 CG PRO A 73 -1.915 -25.052 -10.585 1.00 0.00 C ATOM 1171 CD PRO A 73 -0.910 -25.873 -9.829 1.00 0.00 C ATOM 0 HA PRO A 73 -3.516 -25.453 -8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.570 -26.375 -10.879 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.012 -24.802 -10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.756 -25.135 -11.660 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.827 -23.996 -10.330 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.602 -26.753 -10.393 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.007 -25.303 -9.608 1.00 0.00 H new ATOM 1179 N TRP A 74 -4.398 -27.650 -7.463 1.00 0.00 N ATOM 1180 CA TRP A 74 -5.108 -28.879 -7.191 1.00 0.00 C ATOM 1181 C TRP A 74 -6.507 -28.792 -7.779 1.00 0.00 C ATOM 1182 O TRP A 74 -7.117 -29.802 -8.136 1.00 0.00 O ATOM 1183 CB TRP A 74 -5.166 -29.145 -5.680 1.00 0.00 C ATOM 1184 CG TRP A 74 -5.521 -30.561 -5.338 1.00 0.00 C ATOM 1185 CD1 TRP A 74 -4.718 -31.656 -5.466 1.00 0.00 C ATOM 1186 CD2 TRP A 74 -6.764 -31.038 -4.810 1.00 0.00 C ATOM 1187 NE1 TRP A 74 -5.385 -32.781 -5.061 1.00 0.00 N ATOM 1188 CE2 TRP A 74 -6.643 -32.430 -4.654 1.00 0.00 C ATOM 1189 CE3 TRP A 74 -7.967 -30.426 -4.457 1.00 0.00 C ATOM 1190 CZ2 TRP A 74 -7.678 -33.217 -4.161 1.00 0.00 C ATOM 1191 CZ3 TRP A 74 -8.993 -31.208 -3.968 1.00 0.00 C ATOM 1192 CH2 TRP A 74 -8.845 -32.590 -3.824 1.00 0.00 C ATOM 0 H TRP A 74 -4.414 -26.974 -6.699 1.00 0.00 H new ATOM 0 HA TRP A 74 -4.579 -29.711 -7.655 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.199 -28.904 -5.239 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.898 -28.475 -5.229 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -3.703 -31.638 -5.834 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.005 -33.728 -5.063 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -8.093 -29.359 -4.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -7.564 -34.285 -4.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.928 -30.743 -3.691 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.668 -33.174 -3.439 1.00 0.00 H new ATOM 1203 N ARG A 75 -7.000 -27.570 -7.889 1.00 0.00 N ATOM 1204 CA ARG A 75 -8.294 -27.311 -8.486 1.00 0.00 C ATOM 1205 C ARG A 75 -8.158 -26.272 -9.579 1.00 0.00 C ATOM 1206 O ARG A 75 -8.415 -25.087 -9.364 1.00 0.00 O ATOM 1207 CB ARG A 75 -9.309 -26.841 -7.442 1.00 0.00 C ATOM 1208 CG ARG A 75 -9.584 -27.858 -6.359 1.00 0.00 C ATOM 1209 CD ARG A 75 -10.712 -27.409 -5.455 1.00 0.00 C ATOM 1210 NE ARG A 75 -11.004 -28.401 -4.423 1.00 0.00 N ATOM 1211 CZ ARG A 75 -11.987 -29.304 -4.502 1.00 0.00 C ATOM 1212 NH1 ARG A 75 -12.772 -29.350 -5.579 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 75 -12.179 -30.166 -3.510 1.00 0.00 N ATOM 0 H ARG A 75 -6.514 -26.733 -7.567 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.661 -28.244 -8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.944 -25.923 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.245 -26.596 -7.943 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.838 -28.816 -6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.682 -28.015 -5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.447 -26.462 -4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.607 -27.230 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.419 -28.405 -3.587 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.624 -28.695 -6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.521 -30.040 -5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.576 -30.139 -2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.929 -30.855 -3.571 1.00 0.00 H new ATOM 1227 N LYS A 76 -7.711 -26.711 -10.736 1.00 0.00 N ATOM 1228 CA LYS A 76 -7.540 -25.832 -11.865 1.00 0.00 C ATOM 1229 C LYS A 76 -8.620 -26.097 -12.914 1.00 0.00 C ATOM 1230 O LYS A 76 -8.303 -26.630 -13.997 1.00 0.00 O ATOM 1231 CB LYS A 76 -6.127 -25.988 -12.457 1.00 0.00 C ATOM 1232 CG LYS A 76 -5.728 -27.430 -12.767 1.00 0.00 C ATOM 1233 CD LYS A 76 -4.424 -27.492 -13.542 1.00 0.00 C ATOM 1234 CE LYS A 76 -4.559 -26.810 -14.893 1.00 0.00 C ATOM 1235 NZ LYS A 76 -3.305 -26.872 -15.679 1.00 0.00 N1+ ATOM 1236 OXT LYS A 76 -9.797 -25.800 -12.628 1.00 0.00 O ATOM 0 H LYS A 76 -7.458 -27.682 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.648 -24.800 -11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.063 -25.401 -13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.405 -25.566 -11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.626 -27.989 -11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.518 -27.911 -13.343 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.632 -27.013 -12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.130 -28.532 -13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.363 -27.282 -15.457 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.842 -25.768 -14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.444 -26.395 -16.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.542 -26.399 -15.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.047 -27.866 -15.844 1.00 0.00 H new TER 1250 LYS A 76