USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 ASN : amide:sc= -0.29 K(o=0.89,f=-7.6!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -155:sc= 1.18 (180deg=-0.144) USER MOD Set 2.1: A 61 TYR OH : rot 30:sc= 0.85 USER MOD Set 2.2: A 65 LYS NZ :NH3+ -144:sc= 0.609! (180deg=-0.978!) USER MOD Set 3.1: A 34 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0) USER MOD Set 3.2: A 37 THR OG1 : rot -130:sc= 0.946 USER MOD Single : A 1 MET CE :methyl 158:sc= 0 (180deg=-0.239) USER MOD Single : A 1 MET N :NH3+ -113:sc= 1.63 (180deg=-0.473) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 1.34 (180deg=0.344!) USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= 0.237 (180deg=-3.37!) USER MOD Single : A 15 MET CE :methyl -139:sc= -0.115 (180deg=-1.29) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0532) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -2.29! X(o=-2.3!,f=-2.3) USER MOD Single : A 38 ASN : amide:sc=6.61e-05 X(o=6.6e-05,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 1.15 (180deg=0.967) USER MOD Single : A 47 THR OG1 : rot 141:sc= 1.25 USER MOD Single : A 48 HIS : no HD1:sc= 0.77 K(o=0.77,f=-5.5!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 88:sc= 1.41 USER MOD Single : A 64 ASN : amide:sc= -2.98 K(o=-3,f=-2!) USER MOD Single : A 67 LYS NZ :NH3+ 138:sc= 1.18 (180deg=-1.82!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -146:sc= 2.18 (180deg=-0.788) USER MOD Single : A 72 ASN : amide:sc= 0.0879 K(o=0.088,f=-2.3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0.548 (180deg=0.548) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= -0.77! (180deg=-1.5!) USER MOD Single : A 78 ASN : amide:sc= 0.264! C(o=0.26!,f=-12!) USER MOD Single : A 86 ASN : amide:sc= -2.42! K(o=-2.4!,f=-0.68) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0.389! (180deg=0.356!) USER MOD Single : A 93 SER OG : rot 37:sc= 0.194 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.969 12.452 0.288 1.00 0.00 N ATOM 2 CA MET A 1 -3.397 13.492 1.243 1.00 0.00 C ATOM 3 C MET A 1 -2.255 14.408 1.556 1.00 0.00 C ATOM 4 O MET A 1 -1.190 14.286 0.969 1.00 0.00 O ATOM 5 CB MET A 1 -3.936 12.891 2.551 1.00 0.00 C ATOM 6 CG MET A 1 -5.374 12.427 2.488 1.00 0.00 C ATOM 7 SD MET A 1 -6.485 13.768 2.044 1.00 0.00 S ATOM 8 CE MET A 1 -8.095 12.992 2.249 1.00 0.00 C ATOM 0 H1 MET A 1 -3.460 12.590 -0.619 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.942 12.519 0.139 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.203 11.513 0.669 1.00 0.00 H new ATOM 0 HA MET A 1 -4.205 14.049 0.768 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.308 12.046 2.833 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.843 13.635 3.342 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.465 11.622 1.759 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.667 12.016 3.454 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.854 13.761 2.395 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.334 12.410 1.359 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.074 12.334 3.118 1.00 0.00 H new ATOM 20 N ALA A 2 -2.480 15.330 2.463 1.00 0.00 N ATOM 21 CA ALA A 2 -1.449 16.205 2.926 1.00 0.00 C ATOM 22 C ALA A 2 -1.308 16.040 4.421 1.00 0.00 C ATOM 23 O ALA A 2 -1.858 16.798 5.202 1.00 0.00 O ATOM 24 CB ALA A 2 -1.725 17.651 2.548 1.00 0.00 C ATOM 0 H ALA A 2 -3.389 15.488 2.897 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.509 15.938 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.919 18.284 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.786 17.738 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.669 17.969 2.991 1.00 0.00 H new ATOM 30 N ARG A 3 -0.702 14.953 4.788 1.00 0.00 N ATOM 31 CA ARG A 3 -0.411 14.637 6.149 1.00 0.00 C ATOM 32 C ARG A 3 0.895 13.857 6.136 1.00 0.00 C ATOM 33 O ARG A 3 1.506 13.729 5.067 1.00 0.00 O ATOM 34 CB ARG A 3 -1.545 13.795 6.769 1.00 0.00 C ATOM 35 CG ARG A 3 -1.538 12.300 6.428 1.00 0.00 C ATOM 36 CD ARG A 3 -2.498 11.535 7.337 1.00 0.00 C ATOM 37 NE ARG A 3 -2.024 10.166 7.611 1.00 0.00 N ATOM 38 CZ ARG A 3 -2.758 9.187 8.199 1.00 0.00 C ATOM 39 NH1 ARG A 3 -4.060 9.362 8.453 1.00 0.00 N ATOM 40 NH2 ARG A 3 -2.192 8.027 8.503 1.00 0.00 N ATOM 0 H ARG A 3 -0.388 14.242 4.128 1.00 0.00 H new ATOM 0 HA ARG A 3 -0.324 15.540 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.497 13.900 7.853 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.499 14.215 6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.825 12.158 5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.529 11.901 6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.614 12.074 8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.482 11.492 6.871 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.069 9.936 7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.515 10.241 8.204 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.598 8.617 8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.206 7.871 8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.743 7.291 8.945 1.00 0.00 H new ATOM 54 N ASP A 4 1.306 13.327 7.260 1.00 0.00 N ATOM 55 CA ASP A 4 2.528 12.562 7.325 1.00 0.00 C ATOM 56 C ASP A 4 2.220 11.111 7.042 1.00 0.00 C ATOM 57 O ASP A 4 1.068 10.645 7.229 1.00 0.00 O ATOM 58 CB ASP A 4 3.152 12.655 8.704 1.00 0.00 C ATOM 59 CG ASP A 4 2.447 11.775 9.729 1.00 0.00 C ATOM 60 OD1 ASP A 4 1.288 12.061 10.103 1.00 0.00 O ATOM 61 OD2 ASP A 4 3.025 10.754 10.134 1.00 0.00 O ATOM 0 H ASP A 4 0.810 13.411 8.147 1.00 0.00 H new ATOM 0 HA ASP A 4 3.224 12.964 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.201 12.366 8.644 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.125 13.691 9.041 1.00 0.00 H new ATOM 66 N PHE A 5 3.204 10.399 6.580 1.00 0.00 N ATOM 67 CA PHE A 5 3.052 9.018 6.304 1.00 0.00 C ATOM 68 C PHE A 5 4.225 8.278 6.883 1.00 0.00 C ATOM 69 O PHE A 5 5.378 8.522 6.524 1.00 0.00 O ATOM 70 CB PHE A 5 2.892 8.778 4.813 1.00 0.00 C ATOM 71 CG PHE A 5 1.620 9.358 4.242 1.00 0.00 C ATOM 72 CD1 PHE A 5 1.568 10.667 3.794 1.00 0.00 C ATOM 73 CD2 PHE A 5 0.490 8.583 4.143 1.00 0.00 C ATOM 74 CE1 PHE A 5 0.403 11.181 3.253 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.674 9.086 3.596 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.717 10.381 3.149 1.00 0.00 C ATOM 0 H PHE A 5 4.135 10.769 6.386 1.00 0.00 H new ATOM 0 HA PHE A 5 2.142 8.641 6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.745 9.210 4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.910 7.705 4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.445 11.293 3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.512 7.564 4.499 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.370 12.206 2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.550 8.459 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.625 10.774 2.716 1.00 0.00 H new ATOM 86 N LYS A 6 3.919 7.412 7.790 1.00 0.00 N ATOM 87 CA LYS A 6 4.892 6.698 8.572 1.00 0.00 C ATOM 88 C LYS A 6 5.159 5.367 7.917 1.00 0.00 C ATOM 89 O LYS A 6 4.261 4.814 7.285 1.00 0.00 O ATOM 90 CB LYS A 6 4.261 6.433 9.937 1.00 0.00 C ATOM 91 CG LYS A 6 3.598 7.657 10.521 1.00 0.00 C ATOM 92 CD LYS A 6 2.556 7.291 11.552 1.00 0.00 C ATOM 93 CE LYS A 6 1.665 8.487 11.863 1.00 0.00 C ATOM 94 NZ LYS A 6 1.087 9.063 10.619 1.00 0.00 N ATOM 0 H LYS A 6 2.956 7.168 8.021 1.00 0.00 H new ATOM 0 HA LYS A 6 5.818 7.266 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.524 5.636 9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.029 6.078 10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.353 8.296 10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.132 8.234 9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.948 6.464 11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.044 6.948 12.464 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.862 8.181 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.243 9.249 12.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.323 9.724 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.828 9.570 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.706 8.298 10.027 1.00 0.00 H new ATOM 108 N PRO A 7 6.376 4.837 8.010 1.00 0.00 N ATOM 109 CA PRO A 7 6.628 3.480 7.571 1.00 0.00 C ATOM 110 C PRO A 7 5.797 2.551 8.449 1.00 0.00 C ATOM 111 O PRO A 7 5.995 2.485 9.664 1.00 0.00 O ATOM 112 CB PRO A 7 8.128 3.269 7.839 1.00 0.00 C ATOM 113 CG PRO A 7 8.695 4.637 8.015 1.00 0.00 C ATOM 114 CD PRO A 7 7.575 5.505 8.516 1.00 0.00 C ATOM 0 HA PRO A 7 6.374 3.291 6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.286 2.661 8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.606 2.749 7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.523 4.625 8.724 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.088 5.018 7.072 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.571 5.568 9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.657 6.524 8.138 1.00 0.00 H new ATOM 122 N GLY A 8 4.866 1.875 7.850 1.00 0.00 N ATOM 123 CA GLY A 8 3.963 1.061 8.588 1.00 0.00 C ATOM 124 C GLY A 8 2.552 1.631 8.599 1.00 0.00 C ATOM 125 O GLY A 8 1.627 0.954 9.038 1.00 0.00 O ATOM 0 H GLY A 8 4.714 1.874 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.945 0.060 8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.321 0.962 9.613 1.00 0.00 H new ATOM 129 N ASP A 9 2.384 2.864 8.090 1.00 0.00 N ATOM 130 CA ASP A 9 1.065 3.533 8.084 1.00 0.00 C ATOM 131 C ASP A 9 0.183 2.870 7.028 1.00 0.00 C ATOM 132 O ASP A 9 0.693 2.309 6.030 1.00 0.00 O ATOM 133 CB ASP A 9 1.200 5.039 7.773 1.00 0.00 C ATOM 134 CG ASP A 9 0.096 5.906 8.382 1.00 0.00 C ATOM 135 OD1 ASP A 9 -1.067 5.485 8.412 1.00 0.00 O ATOM 136 OD2 ASP A 9 0.397 7.077 8.825 1.00 0.00 O ATOM 0 H ASP A 9 3.137 3.416 7.680 1.00 0.00 H new ATOM 0 HA ASP A 9 0.618 3.434 9.073 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.165 5.389 8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.200 5.177 6.692 1.00 0.00 H new ATOM 141 N LEU A 10 -1.099 2.958 7.209 1.00 0.00 N ATOM 142 CA LEU A 10 -2.048 2.257 6.375 1.00 0.00 C ATOM 143 C LEU A 10 -2.661 3.190 5.378 1.00 0.00 C ATOM 144 O LEU A 10 -3.288 4.186 5.752 1.00 0.00 O ATOM 145 CB LEU A 10 -3.126 1.660 7.248 1.00 0.00 C ATOM 146 CG LEU A 10 -2.642 0.690 8.314 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.811 0.093 9.066 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.781 -0.389 7.693 1.00 0.00 C ATOM 0 H LEU A 10 -1.527 3.521 7.944 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.530 1.466 5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.664 2.472 7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.842 1.143 6.609 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.032 1.238 9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.442 -0.598 9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.379 0.889 9.547 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.456 -0.443 8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.442 -1.076 8.469 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.363 -0.937 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.917 0.068 7.210 1.00 0.00 H new ATOM 160 N ILE A 11 -2.530 2.875 4.111 1.00 0.00 N ATOM 161 CA ILE A 11 -2.997 3.767 3.088 1.00 0.00 C ATOM 162 C ILE A 11 -3.674 3.042 1.916 1.00 0.00 C ATOM 163 O ILE A 11 -3.812 1.823 1.887 1.00 0.00 O ATOM 164 CB ILE A 11 -1.831 4.716 2.560 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.612 3.933 2.050 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.375 5.691 3.628 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.726 3.358 0.663 1.00 0.00 C ATOM 0 H ILE A 11 -2.106 2.012 3.770 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.761 4.384 3.561 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.262 5.266 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.255 4.593 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.414 3.117 2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.579 6.321 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.214 6.316 3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.003 5.138 4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.193 2.828 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.567 2.665 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.887 4.164 -0.053 1.00 0.00 H new ATOM 179 N PHE A 12 -4.115 3.826 1.008 1.00 0.00 N ATOM 180 CA PHE A 12 -4.603 3.417 -0.256 1.00 0.00 C ATOM 181 C PHE A 12 -3.674 3.991 -1.271 1.00 0.00 C ATOM 182 O PHE A 12 -3.372 5.188 -1.245 1.00 0.00 O ATOM 183 CB PHE A 12 -6.026 3.892 -0.533 1.00 0.00 C ATOM 184 CG PHE A 12 -7.107 3.107 0.149 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.509 1.888 -0.365 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.731 3.585 1.276 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.511 1.164 0.235 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.739 2.871 1.881 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.130 1.657 1.360 1.00 0.00 C ATOM 0 H PHE A 12 -4.148 4.838 1.134 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.642 2.328 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.109 4.935 -0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.200 3.860 -1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.029 1.499 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.426 4.534 1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.811 0.211 -0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.224 3.262 2.764 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.921 1.094 1.834 1.00 0.00 H new ATOM 199 N ALA A 13 -3.205 3.161 -2.114 1.00 0.00 N ATOM 200 CA ALA A 13 -2.242 3.507 -3.081 1.00 0.00 C ATOM 201 C ALA A 13 -2.876 3.531 -4.432 1.00 0.00 C ATOM 202 O ALA A 13 -3.495 2.569 -4.859 1.00 0.00 O ATOM 203 CB ALA A 13 -1.145 2.499 -3.035 1.00 0.00 C ATOM 0 H ALA A 13 -3.491 2.183 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.835 4.497 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.388 2.751 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.693 2.498 -2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.550 1.510 -3.250 1.00 0.00 H new ATOM 209 N LYS A 14 -2.745 4.630 -5.082 1.00 0.00 N ATOM 210 CA LYS A 14 -3.322 4.829 -6.346 1.00 0.00 C ATOM 211 C LYS A 14 -2.248 4.778 -7.435 1.00 0.00 C ATOM 212 O LYS A 14 -1.306 5.586 -7.428 1.00 0.00 O ATOM 213 CB LYS A 14 -4.033 6.185 -6.291 1.00 0.00 C ATOM 214 CG LYS A 14 -4.812 6.578 -7.516 1.00 0.00 C ATOM 215 CD LYS A 14 -3.929 6.950 -8.687 1.00 0.00 C ATOM 216 CE LYS A 14 -3.274 8.339 -8.580 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.195 8.393 -7.536 1.00 0.00 N ATOM 0 H LYS A 14 -2.219 5.432 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.038 4.045 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.713 6.180 -5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.286 6.955 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.462 5.752 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.458 7.422 -7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.145 6.200 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.524 6.913 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.852 8.613 -9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.039 9.079 -8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.444 9.042 -7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.597 8.732 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.796 7.442 -7.400 1.00 0.00 H new ATOM 231 N MET A 15 -2.439 3.890 -8.388 1.00 0.00 N ATOM 232 CA MET A 15 -1.560 3.751 -9.540 1.00 0.00 C ATOM 233 C MET A 15 -2.356 3.973 -10.802 1.00 0.00 C ATOM 234 O MET A 15 -3.571 3.851 -10.793 1.00 0.00 O ATOM 235 CB MET A 15 -0.895 2.379 -9.617 1.00 0.00 C ATOM 236 CG MET A 15 0.018 2.063 -8.469 1.00 0.00 C ATOM 237 SD MET A 15 1.036 0.606 -8.779 1.00 0.00 S ATOM 238 CE MET A 15 -0.217 -0.665 -8.982 1.00 0.00 C ATOM 0 H MET A 15 -3.219 3.233 -8.388 1.00 0.00 H new ATOM 0 HA MET A 15 -0.771 4.495 -9.432 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.671 1.616 -9.668 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.326 2.317 -10.545 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.664 2.920 -8.276 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.576 1.903 -7.569 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.105 -1.577 -8.479 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.156 -0.323 -8.547 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.362 -0.867 -10.043 1.00 0.00 H new ATOM 248 N LYS A 16 -1.683 4.319 -11.870 1.00 0.00 N ATOM 249 CA LYS A 16 -2.349 4.550 -13.144 1.00 0.00 C ATOM 250 C LYS A 16 -2.915 3.230 -13.685 1.00 0.00 C ATOM 251 O LYS A 16 -2.171 2.298 -13.950 1.00 0.00 O ATOM 252 CB LYS A 16 -1.353 5.157 -14.152 1.00 0.00 C ATOM 253 CG LYS A 16 -1.937 5.460 -15.533 1.00 0.00 C ATOM 254 CD LYS A 16 -0.867 6.009 -16.472 1.00 0.00 C ATOM 255 CE LYS A 16 -1.414 6.287 -17.872 1.00 0.00 C ATOM 256 NZ LYS A 16 -2.474 7.337 -17.872 1.00 0.00 N ATOM 0 H LYS A 16 -0.672 4.449 -11.891 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.172 5.250 -12.997 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.952 6.080 -13.733 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.515 4.470 -14.271 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.367 4.552 -15.957 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.748 6.182 -15.438 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.457 6.929 -16.055 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.045 5.296 -16.540 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.597 6.600 -18.522 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.820 5.366 -18.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.728 7.574 -18.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.314 6.982 -17.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.119 8.188 -17.391 1.00 0.00 H new ATOM 270 N GLY A 17 -4.230 3.165 -13.818 1.00 0.00 N ATOM 271 CA GLY A 17 -4.873 1.970 -14.343 1.00 0.00 C ATOM 272 C GLY A 17 -5.443 1.114 -13.234 1.00 0.00 C ATOM 273 O GLY A 17 -6.137 0.102 -13.478 1.00 0.00 O ATOM 0 H GLY A 17 -4.870 3.920 -13.572 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.670 2.256 -15.029 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.151 1.390 -14.917 1.00 0.00 H new ATOM 277 N TYR A 18 -5.167 1.513 -12.024 1.00 0.00 N ATOM 278 CA TYR A 18 -5.615 0.814 -10.865 1.00 0.00 C ATOM 279 C TYR A 18 -6.399 1.751 -9.978 1.00 0.00 C ATOM 280 O TYR A 18 -6.133 2.950 -9.950 1.00 0.00 O ATOM 281 CB TYR A 18 -4.421 0.235 -10.085 1.00 0.00 C ATOM 282 CG TYR A 18 -3.684 -0.876 -10.801 1.00 0.00 C ATOM 283 CD1 TYR A 18 -2.652 -0.607 -11.694 1.00 0.00 C ATOM 284 CD2 TYR A 18 -4.027 -2.199 -10.581 1.00 0.00 C ATOM 285 CE1 TYR A 18 -1.990 -1.630 -12.341 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.373 -3.223 -11.222 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.358 -2.937 -12.100 1.00 0.00 C ATOM 288 OH TYR A 18 -1.708 -3.961 -12.731 1.00 0.00 O ATOM 0 H TYR A 18 -4.616 2.346 -11.818 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.255 -0.010 -11.180 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.719 1.040 -9.870 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.778 -0.141 -9.126 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.365 0.417 -11.883 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.825 -2.431 -9.891 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.189 -1.409 -13.031 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.656 -4.248 -11.036 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.092 -4.817 -12.447 1.00 0.00 H new ATOM 298 N PRO A 19 -7.401 1.237 -9.274 1.00 0.00 N ATOM 299 CA PRO A 19 -8.134 2.023 -8.304 1.00 0.00 C ATOM 300 C PRO A 19 -7.276 2.214 -7.060 1.00 0.00 C ATOM 301 O PRO A 19 -6.188 1.625 -6.963 1.00 0.00 O ATOM 302 CB PRO A 19 -9.353 1.147 -7.985 1.00 0.00 C ATOM 303 CG PRO A 19 -8.892 -0.244 -8.238 1.00 0.00 C ATOM 304 CD PRO A 19 -7.897 -0.151 -9.358 1.00 0.00 C ATOM 0 HA PRO A 19 -8.410 3.015 -8.660 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.674 1.276 -6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.203 1.404 -8.618 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.436 -0.673 -7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.728 -0.889 -8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.089 -0.873 -9.236 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.361 -0.352 -10.323 1.00 0.00 H new ATOM 312 N HIS A 20 -7.718 3.060 -6.149 1.00 0.00 N ATOM 313 CA HIS A 20 -7.014 3.236 -4.891 1.00 0.00 C ATOM 314 C HIS A 20 -6.983 1.872 -4.170 1.00 0.00 C ATOM 315 O HIS A 20 -8.010 1.377 -3.738 1.00 0.00 O ATOM 316 CB HIS A 20 -7.726 4.297 -4.027 1.00 0.00 C ATOM 317 CG HIS A 20 -7.511 5.713 -4.480 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.269 6.360 -5.445 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.577 6.604 -4.091 1.00 0.00 C ATOM 320 CE1 HIS A 20 -7.763 7.592 -5.607 1.00 0.00 C ATOM 321 NE2 HIS A 20 -6.741 7.788 -4.810 1.00 0.00 N ATOM 0 H HIS A 20 -8.555 3.633 -6.254 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.996 3.584 -5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.796 4.088 -4.025 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.380 4.201 -2.998 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.820 6.429 -3.340 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.147 8.325 -6.302 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.179 8.636 -4.731 1.00 0.00 H new ATOM 329 N TRP A 21 -5.813 1.294 -4.082 1.00 0.00 N ATOM 330 CA TRP A 21 -5.612 -0.067 -3.616 1.00 0.00 C ATOM 331 C TRP A 21 -5.110 -0.044 -2.182 1.00 0.00 C ATOM 332 O TRP A 21 -4.267 0.770 -1.855 1.00 0.00 O ATOM 333 CB TRP A 21 -4.536 -0.685 -4.518 1.00 0.00 C ATOM 334 CG TRP A 21 -4.400 -2.176 -4.477 1.00 0.00 C ATOM 335 CD1 TRP A 21 -3.928 -2.955 -3.457 1.00 0.00 C ATOM 336 CD2 TRP A 21 -4.690 -3.061 -5.551 1.00 0.00 C ATOM 337 NE1 TRP A 21 -3.949 -4.273 -3.829 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.403 -4.360 -5.115 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.179 -2.873 -6.844 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -4.586 -5.465 -5.927 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.359 -3.974 -7.647 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.064 -5.255 -7.186 1.00 0.00 C ATOM 0 H TRP A 21 -4.945 1.765 -4.338 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.540 -0.638 -3.652 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -4.744 -0.390 -5.547 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.574 -0.248 -4.249 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.589 -2.586 -2.500 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.671 -5.060 -3.243 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.411 -1.883 -7.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.358 -6.460 -5.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -5.735 -3.844 -8.651 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.217 -6.100 -7.841 1.00 0.00 H new ATOM 353 N PRO A 22 -5.609 -0.921 -1.311 1.00 0.00 N ATOM 354 CA PRO A 22 -5.152 -0.976 0.077 1.00 0.00 C ATOM 355 C PRO A 22 -3.674 -1.383 0.144 1.00 0.00 C ATOM 356 O PRO A 22 -3.290 -2.481 -0.291 1.00 0.00 O ATOM 357 CB PRO A 22 -6.047 -2.053 0.710 1.00 0.00 C ATOM 358 CG PRO A 22 -6.548 -2.865 -0.436 1.00 0.00 C ATOM 359 CD PRO A 22 -6.633 -1.933 -1.606 1.00 0.00 C ATOM 0 HA PRO A 22 -5.223 -0.016 0.588 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.486 -2.668 1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.871 -1.605 1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.874 -3.695 -0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.523 -3.296 -0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.430 -2.448 -2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.624 -1.488 -1.694 1.00 0.00 H new ATOM 367 N ALA A 23 -2.855 -0.511 0.669 1.00 0.00 N ATOM 368 CA ALA A 23 -1.459 -0.739 0.715 1.00 0.00 C ATOM 369 C ALA A 23 -0.869 -0.156 1.987 1.00 0.00 C ATOM 370 O ALA A 23 -1.517 0.608 2.696 1.00 0.00 O ATOM 371 CB ALA A 23 -0.829 -0.125 -0.510 1.00 0.00 C ATOM 0 H ALA A 23 -3.151 0.377 1.075 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.256 -1.810 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.248 -0.293 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.250 -0.584 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.029 0.946 -0.524 1.00 0.00 H new ATOM 377 N ARG A 24 0.321 -0.524 2.290 1.00 0.00 N ATOM 378 CA ARG A 24 0.977 -0.025 3.465 1.00 0.00 C ATOM 379 C ARG A 24 2.152 0.801 3.029 1.00 0.00 C ATOM 380 O ARG A 24 2.752 0.513 1.987 1.00 0.00 O ATOM 381 CB ARG A 24 1.502 -1.189 4.330 1.00 0.00 C ATOM 382 CG ARG A 24 2.008 -0.759 5.703 1.00 0.00 C ATOM 383 CD ARG A 24 2.723 -1.881 6.447 1.00 0.00 C ATOM 384 NE ARG A 24 4.009 -2.245 5.819 1.00 0.00 N ATOM 385 CZ ARG A 24 5.197 -2.330 6.462 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.297 -2.073 7.766 1.00 0.00 N ATOM 387 NH2 ARG A 24 6.266 -2.669 5.802 1.00 0.00 N ATOM 0 H ARG A 24 0.876 -1.178 1.739 1.00 0.00 H new ATOM 0 HA ARG A 24 0.268 0.562 4.048 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.704 -1.920 4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.310 -1.690 3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.688 0.085 5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.167 -0.410 6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.900 -1.574 7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.078 -2.759 6.482 1.00 0.00 H new ATOM 0 HE ARG A 24 4.001 -2.449 4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.469 -1.807 8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.202 -2.143 8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.207 -2.870 4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.163 -2.734 6.283 1.00 0.00 H new ATOM 401 N VAL A 25 2.462 1.835 3.766 1.00 0.00 N ATOM 402 CA VAL A 25 3.705 2.519 3.544 1.00 0.00 C ATOM 403 C VAL A 25 4.748 1.577 4.100 1.00 0.00 C ATOM 404 O VAL A 25 4.709 1.247 5.277 1.00 0.00 O ATOM 405 CB VAL A 25 3.771 3.884 4.270 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.104 4.576 3.991 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.614 4.773 3.842 1.00 0.00 C ATOM 0 H VAL A 25 1.881 2.216 4.513 1.00 0.00 H new ATOM 0 HA VAL A 25 3.846 2.751 2.488 1.00 0.00 H new ATOM 0 HB VAL A 25 3.692 3.705 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.132 5.534 4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.921 3.948 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.211 4.741 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.677 5.728 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.664 4.942 2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.670 4.287 4.089 1.00 0.00 H new ATOM 417 N ASP A 26 5.604 1.106 3.272 1.00 0.00 N ATOM 418 CA ASP A 26 6.510 0.048 3.644 1.00 0.00 C ATOM 419 C ASP A 26 7.821 0.647 4.145 1.00 0.00 C ATOM 420 O ASP A 26 7.947 1.880 4.238 1.00 0.00 O ATOM 421 CB ASP A 26 6.724 -0.876 2.428 1.00 0.00 C ATOM 422 CG ASP A 26 7.171 -2.264 2.812 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.321 -3.078 3.243 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.338 -2.567 2.751 1.00 0.00 O ATOM 0 H ASP A 26 5.709 1.433 2.312 1.00 0.00 H new ATOM 0 HA ASP A 26 6.092 -0.548 4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.795 -0.943 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.468 -0.431 1.767 1.00 0.00 H new ATOM 429 N GLU A 27 8.769 -0.179 4.486 1.00 0.00 N ATOM 430 CA GLU A 27 10.038 0.302 4.934 1.00 0.00 C ATOM 431 C GLU A 27 11.027 0.216 3.798 1.00 0.00 C ATOM 432 O GLU A 27 10.705 -0.322 2.744 1.00 0.00 O ATOM 433 CB GLU A 27 10.562 -0.351 6.256 1.00 0.00 C ATOM 434 CG GLU A 27 10.884 -1.856 6.253 1.00 0.00 C ATOM 435 CD GLU A 27 9.682 -2.770 6.156 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.646 -2.511 6.815 1.00 0.00 O ATOM 437 OE2 GLU A 27 9.755 -3.768 5.418 1.00 0.00 O ATOM 0 H GLU A 27 8.683 -1.195 4.461 1.00 0.00 H new ATOM 0 HA GLU A 27 9.906 1.346 5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.466 0.181 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.817 -0.173 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.550 -2.067 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.431 -2.096 7.165 1.00 0.00 H new ATOM 444 N VAL A 28 12.186 0.805 3.968 1.00 0.00 N ATOM 445 CA VAL A 28 13.170 0.824 2.906 1.00 0.00 C ATOM 446 C VAL A 28 13.687 -0.571 2.649 1.00 0.00 C ATOM 447 O VAL A 28 14.232 -1.221 3.550 1.00 0.00 O ATOM 448 CB VAL A 28 14.353 1.746 3.226 1.00 0.00 C ATOM 449 CG1 VAL A 28 15.347 1.789 2.065 1.00 0.00 C ATOM 450 CG2 VAL A 28 13.856 3.123 3.555 1.00 0.00 C ATOM 0 H VAL A 28 12.473 1.276 4.826 1.00 0.00 H new ATOM 0 HA VAL A 28 12.670 1.211 2.018 1.00 0.00 H new ATOM 0 HB VAL A 28 14.878 1.346 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.175 2.450 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.729 0.786 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.847 2.162 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.703 3.771 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.308 3.525 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.195 3.074 4.421 1.00 0.00 H new ATOM 460 N PRO A 29 13.499 -1.056 1.434 1.00 0.00 N ATOM 461 CA PRO A 29 13.923 -2.364 1.074 1.00 0.00 C ATOM 462 C PRO A 29 15.432 -2.456 0.887 1.00 0.00 C ATOM 463 O PRO A 29 16.101 -1.473 0.519 1.00 0.00 O ATOM 464 CB PRO A 29 13.190 -2.662 -0.231 1.00 0.00 C ATOM 465 CG PRO A 29 12.870 -1.331 -0.815 1.00 0.00 C ATOM 466 CD PRO A 29 12.831 -0.353 0.329 1.00 0.00 C ATOM 0 HA PRO A 29 13.693 -3.084 1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 29 13.813 -3.248 -0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.284 -3.240 -0.050 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.622 -1.039 -1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.912 -1.357 -1.335 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.347 0.573 0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.807 -0.086 0.589 1.00 0.00 H new ATOM 474 N ASP A 30 15.956 -3.631 1.121 1.00 0.00 N ATOM 475 CA ASP A 30 17.365 -3.882 0.974 1.00 0.00 C ATOM 476 C ASP A 30 17.729 -3.807 -0.502 1.00 0.00 C ATOM 477 O ASP A 30 17.042 -4.374 -1.369 1.00 0.00 O ATOM 478 CB ASP A 30 17.763 -5.247 1.579 1.00 0.00 C ATOM 479 CG ASP A 30 17.241 -6.435 0.796 1.00 0.00 C ATOM 480 OD1 ASP A 30 15.996 -6.663 0.760 1.00 0.00 O ATOM 481 OD2 ASP A 30 18.051 -7.143 0.160 1.00 0.00 O ATOM 0 H ASP A 30 15.416 -4.443 1.420 1.00 0.00 H new ATOM 0 HA ASP A 30 17.921 -3.122 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.850 -5.308 1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.389 -5.304 2.601 1.00 0.00 H new ATOM 486 N GLY A 31 18.739 -3.038 -0.791 1.00 0.00 N ATOM 487 CA GLY A 31 19.160 -2.857 -2.150 1.00 0.00 C ATOM 488 C GLY A 31 18.728 -1.511 -2.688 1.00 0.00 C ATOM 489 O GLY A 31 19.273 -1.024 -3.681 1.00 0.00 O ATOM 0 H GLY A 31 19.288 -2.525 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 31 20.245 -2.943 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.742 -3.650 -2.770 1.00 0.00 H new ATOM 493 N ALA A 32 17.754 -0.894 -2.033 1.00 0.00 N ATOM 494 CA ALA A 32 17.284 0.400 -2.457 1.00 0.00 C ATOM 495 C ALA A 32 18.226 1.493 -1.995 1.00 0.00 C ATOM 496 O ALA A 32 18.155 1.959 -0.873 1.00 0.00 O ATOM 497 CB ALA A 32 15.866 0.665 -1.983 1.00 0.00 C ATOM 0 H ALA A 32 17.282 -1.273 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 32 17.267 0.403 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.547 1.650 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.198 -0.093 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.834 0.628 -0.894 1.00 0.00 H new ATOM 503 N VAL A 33 19.134 1.853 -2.867 1.00 0.00 N ATOM 504 CA VAL A 33 20.106 2.912 -2.607 1.00 0.00 C ATOM 505 C VAL A 33 19.560 4.271 -3.037 1.00 0.00 C ATOM 506 O VAL A 33 20.260 5.279 -3.020 1.00 0.00 O ATOM 507 CB VAL A 33 21.438 2.645 -3.348 1.00 0.00 C ATOM 508 CG1 VAL A 33 22.114 1.391 -2.808 1.00 0.00 C ATOM 509 CG2 VAL A 33 21.212 2.519 -4.857 1.00 0.00 C ATOM 0 H VAL A 33 19.229 1.423 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 33 20.292 2.920 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 33 22.094 3.497 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 33 23.048 1.222 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 33 22.322 1.519 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 33 21.456 0.534 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 33 22.164 2.332 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.531 1.692 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.780 3.444 -5.239 1.00 0.00 H new ATOM 519 N LYS A 34 18.317 4.276 -3.430 1.00 0.00 N ATOM 520 CA LYS A 34 17.674 5.469 -3.877 1.00 0.00 C ATOM 521 C LYS A 34 17.148 6.333 -2.722 1.00 0.00 C ATOM 522 O LYS A 34 16.459 5.837 -1.834 1.00 0.00 O ATOM 523 CB LYS A 34 16.590 5.183 -4.974 1.00 0.00 C ATOM 524 CG LYS A 34 15.574 4.020 -4.732 1.00 0.00 C ATOM 525 CD LYS A 34 14.598 4.230 -3.557 1.00 0.00 C ATOM 526 CE LYS A 34 13.779 5.523 -3.676 1.00 0.00 C ATOM 527 NZ LYS A 34 12.959 5.587 -4.914 1.00 0.00 N ATOM 0 H LYS A 34 17.723 3.447 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 34 18.444 6.070 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.017 6.099 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.111 4.979 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.994 3.872 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.134 3.101 -4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.918 3.380 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.161 4.249 -2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.124 5.611 -2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.456 6.377 -3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.579 6.548 -5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.551 5.347 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.172 4.910 -4.845 1.00 0.00 H new ATOM 541 N PRO A 35 17.498 7.628 -2.705 1.00 0.00 N ATOM 542 CA PRO A 35 16.972 8.572 -1.716 1.00 0.00 C ATOM 543 C PRO A 35 15.483 8.866 -1.991 1.00 0.00 C ATOM 544 O PRO A 35 14.937 8.442 -3.050 1.00 0.00 O ATOM 545 CB PRO A 35 17.817 9.851 -1.944 1.00 0.00 C ATOM 546 CG PRO A 35 18.942 9.447 -2.826 1.00 0.00 C ATOM 547 CD PRO A 35 18.457 8.277 -3.618 1.00 0.00 C ATOM 0 HA PRO A 35 17.034 8.193 -0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.220 10.636 -2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 35 18.186 10.249 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.234 10.266 -3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.820 9.181 -2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.981 8.589 -4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 35 19.273 7.607 -3.888 1.00 0.00 H new ATOM 555 N PRO A 36 14.784 9.562 -1.056 1.00 0.00 N ATOM 556 CA PRO A 36 13.388 9.933 -1.232 1.00 0.00 C ATOM 557 C PRO A 36 13.182 10.651 -2.563 1.00 0.00 C ATOM 558 O PRO A 36 13.858 11.611 -2.891 1.00 0.00 O ATOM 559 CB PRO A 36 13.095 10.868 -0.045 1.00 0.00 C ATOM 560 CG PRO A 36 14.431 11.205 0.512 1.00 0.00 C ATOM 561 CD PRO A 36 15.295 10.023 0.235 1.00 0.00 C ATOM 0 HA PRO A 36 12.723 9.070 -1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.564 11.763 -0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.468 10.377 0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.835 12.103 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.370 11.403 1.582 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.350 10.293 0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.200 9.259 1.007 1.00 0.00 H new ATOM 569 N THR A 37 12.246 10.162 -3.299 1.00 0.00 N ATOM 570 CA THR A 37 11.980 10.617 -4.650 1.00 0.00 C ATOM 571 C THR A 37 10.700 11.466 -4.648 1.00 0.00 C ATOM 572 O THR A 37 10.156 11.808 -5.690 1.00 0.00 O ATOM 573 CB THR A 37 11.783 9.364 -5.533 1.00 0.00 C ATOM 574 OG1 THR A 37 12.723 8.342 -5.093 1.00 0.00 O ATOM 575 CG2 THR A 37 12.057 9.675 -7.002 1.00 0.00 C ATOM 0 H THR A 37 11.622 9.418 -2.987 1.00 0.00 H new ATOM 0 HA THR A 37 12.802 11.222 -5.032 1.00 0.00 H new ATOM 0 HB THR A 37 10.752 9.025 -5.437 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.208 7.988 -5.868 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.910 8.774 -7.598 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.372 10.452 -7.343 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.084 10.022 -7.115 1.00 0.00 H new ATOM 583 N ASN A 38 10.234 11.756 -3.424 1.00 0.00 N ATOM 584 CA ASN A 38 8.917 12.385 -3.114 1.00 0.00 C ATOM 585 C ASN A 38 7.855 11.321 -3.208 1.00 0.00 C ATOM 586 O ASN A 38 6.659 11.573 -3.149 1.00 0.00 O ATOM 587 CB ASN A 38 8.562 13.615 -3.999 1.00 0.00 C ATOM 588 CG ASN A 38 9.519 14.780 -3.831 1.00 0.00 C ATOM 589 OD1 ASN A 38 9.344 15.618 -2.965 1.00 0.00 O ATOM 590 ND2 ASN A 38 10.521 14.852 -4.677 1.00 0.00 N ATOM 0 H ASN A 38 10.776 11.556 -2.583 1.00 0.00 H new ATOM 0 HA ASN A 38 8.978 12.791 -2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.555 13.309 -5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.552 13.947 -3.757 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.182 15.627 -4.620 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.639 14.133 -5.391 1.00 0.00 H new ATOM 597 N LYS A 39 8.342 10.112 -3.352 1.00 0.00 N ATOM 598 CA LYS A 39 7.583 8.925 -3.351 1.00 0.00 C ATOM 599 C LYS A 39 8.055 8.092 -2.202 1.00 0.00 C ATOM 600 O LYS A 39 9.243 8.143 -1.825 1.00 0.00 O ATOM 601 CB LYS A 39 7.835 8.189 -4.636 1.00 0.00 C ATOM 602 CG LYS A 39 7.506 9.025 -5.847 1.00 0.00 C ATOM 603 CD LYS A 39 6.058 8.846 -6.274 1.00 0.00 C ATOM 604 CE LYS A 39 5.634 9.851 -7.324 1.00 0.00 C ATOM 605 NZ LYS A 39 4.230 9.626 -7.789 1.00 0.00 N ATOM 0 H LYS A 39 9.340 9.941 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 39 6.518 9.138 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.881 7.886 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.238 7.277 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.694 10.076 -5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.165 8.750 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.920 7.838 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.411 8.942 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.723 10.858 -6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.311 9.791 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.926 10.429 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.186 8.752 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.601 9.541 -6.965 1.00 0.00 H new ATOM 619 N LEU A 40 7.168 7.352 -1.692 1.00 0.00 N ATOM 620 CA LEU A 40 7.371 6.500 -0.542 1.00 0.00 C ATOM 621 C LEU A 40 7.266 5.051 -0.985 1.00 0.00 C ATOM 622 O LEU A 40 6.625 4.769 -2.008 1.00 0.00 O ATOM 623 CB LEU A 40 6.276 6.791 0.502 1.00 0.00 C ATOM 624 CG LEU A 40 6.251 8.202 1.108 1.00 0.00 C ATOM 625 CD1 LEU A 40 4.978 8.403 1.898 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.450 8.416 2.022 1.00 0.00 C ATOM 0 H LEU A 40 6.220 7.300 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 40 8.352 6.687 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.307 6.604 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.384 6.074 1.316 1.00 0.00 H new ATOM 0 HG LEU A 40 6.294 8.924 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.969 9.406 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.118 8.281 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.928 7.667 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.413 9.422 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.426 7.685 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.370 8.295 1.450 1.00 0.00 H new ATOM 638 N PRO A 41 7.925 4.117 -0.279 1.00 0.00 N ATOM 639 CA PRO A 41 7.785 2.697 -0.572 1.00 0.00 C ATOM 640 C PRO A 41 6.384 2.227 -0.182 1.00 0.00 C ATOM 641 O PRO A 41 5.946 2.416 0.947 1.00 0.00 O ATOM 642 CB PRO A 41 8.857 2.030 0.304 1.00 0.00 C ATOM 643 CG PRO A 41 9.135 3.002 1.401 1.00 0.00 C ATOM 644 CD PRO A 41 8.846 4.371 0.854 1.00 0.00 C ATOM 0 HA PRO A 41 7.911 2.457 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.503 1.079 0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.758 1.819 -0.271 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.510 2.793 2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.172 2.928 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.386 5.012 1.606 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.757 4.869 0.524 1.00 0.00 H new ATOM 652 N ILE A 42 5.680 1.670 -1.114 1.00 0.00 N ATOM 653 CA ILE A 42 4.324 1.250 -0.893 1.00 0.00 C ATOM 654 C ILE A 42 4.184 -0.242 -1.138 1.00 0.00 C ATOM 655 O ILE A 42 4.472 -0.728 -2.217 1.00 0.00 O ATOM 656 CB ILE A 42 3.341 2.017 -1.826 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.428 3.544 -1.616 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.915 1.530 -1.642 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.131 4.012 -0.202 1.00 0.00 C ATOM 0 H ILE A 42 6.026 1.490 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 42 4.074 1.474 0.144 1.00 0.00 H new ATOM 0 HB ILE A 42 3.643 1.806 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.429 3.878 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.731 4.030 -2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.253 2.084 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.860 0.467 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.607 1.688 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.217 5.097 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.119 3.715 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.843 3.560 0.488 1.00 0.00 H new ATOM 671 N PHE A 43 3.735 -0.931 -0.150 1.00 0.00 N ATOM 672 CA PHE A 43 3.512 -2.358 -0.210 1.00 0.00 C ATOM 673 C PHE A 43 2.056 -2.635 -0.484 1.00 0.00 C ATOM 674 O PHE A 43 1.200 -2.298 0.329 1.00 0.00 O ATOM 675 CB PHE A 43 3.941 -3.034 1.107 1.00 0.00 C ATOM 676 CG PHE A 43 3.426 -4.447 1.276 1.00 0.00 C ATOM 677 CD1 PHE A 43 3.886 -5.477 0.483 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.460 -4.731 2.230 1.00 0.00 C ATOM 679 CE1 PHE A 43 3.389 -6.755 0.640 1.00 0.00 C ATOM 680 CE2 PHE A 43 1.972 -6.008 2.381 1.00 0.00 C ATOM 681 CZ PHE A 43 2.434 -7.014 1.588 1.00 0.00 C ATOM 0 H PHE A 43 3.502 -0.520 0.754 1.00 0.00 H new ATOM 0 HA PHE A 43 4.116 -2.771 -1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.030 -3.048 1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.591 -2.429 1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.640 -5.283 -0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.086 -3.939 2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.754 -7.555 0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.221 -6.213 3.130 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.048 -8.016 1.706 1.00 0.00 H new ATOM 691 N PHE A 44 1.781 -3.209 -1.619 1.00 0.00 N ATOM 692 CA PHE A 44 0.405 -3.569 -1.973 1.00 0.00 C ATOM 693 C PHE A 44 -0.042 -4.856 -1.312 1.00 0.00 C ATOM 694 O PHE A 44 0.640 -5.882 -1.389 1.00 0.00 O ATOM 695 CB PHE A 44 0.209 -3.683 -3.476 1.00 0.00 C ATOM 696 CG PHE A 44 0.260 -2.381 -4.183 1.00 0.00 C ATOM 697 CD1 PHE A 44 -0.846 -1.559 -4.202 1.00 0.00 C ATOM 698 CD2 PHE A 44 1.399 -1.972 -4.821 1.00 0.00 C ATOM 699 CE1 PHE A 44 -0.813 -0.353 -4.846 1.00 0.00 C ATOM 700 CE2 PHE A 44 1.435 -0.767 -5.462 1.00 0.00 C ATOM 701 CZ PHE A 44 0.331 0.045 -5.475 1.00 0.00 C ATOM 0 H PHE A 44 2.478 -3.445 -2.326 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.213 -2.753 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.977 -4.339 -3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.753 -4.156 -3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.751 -1.871 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.274 -2.605 -4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.687 0.281 -4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.339 -0.452 -5.962 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.366 0.998 -5.982 1.00 0.00 H new ATOM 711 N PHE A 45 -1.188 -4.809 -0.689 1.00 0.00 N ATOM 712 CA PHE A 45 -1.747 -5.972 -0.057 1.00 0.00 C ATOM 713 C PHE A 45 -2.470 -6.835 -1.073 1.00 0.00 C ATOM 714 O PHE A 45 -2.903 -6.349 -2.122 1.00 0.00 O ATOM 715 CB PHE A 45 -2.689 -5.591 1.074 1.00 0.00 C ATOM 716 CG PHE A 45 -1.999 -5.064 2.274 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.421 -5.930 3.167 1.00 0.00 C ATOM 718 CD2 PHE A 45 -1.930 -3.720 2.515 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.783 -5.466 4.282 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.291 -3.242 3.632 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.715 -4.117 4.519 1.00 0.00 C ATOM 0 H PHE A 45 -1.758 -3.967 -0.605 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.923 -6.544 0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.392 -4.841 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.274 -6.466 1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.471 -6.994 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.382 -3.028 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.333 -6.160 4.976 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.242 -2.178 3.813 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.211 -3.745 5.399 1.00 0.00 H new ATOM 731 N GLY A 46 -2.566 -8.105 -0.766 1.00 0.00 N ATOM 732 CA GLY A 46 -3.222 -9.100 -1.608 1.00 0.00 C ATOM 733 C GLY A 46 -2.427 -9.502 -2.843 1.00 0.00 C ATOM 734 O GLY A 46 -2.657 -10.566 -3.401 1.00 0.00 O ATOM 0 H GLY A 46 -2.184 -8.495 0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.418 -9.991 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.189 -8.709 -1.925 1.00 0.00 H new ATOM 738 N THR A 47 -1.494 -8.683 -3.266 1.00 0.00 N ATOM 739 CA THR A 47 -0.608 -9.067 -4.342 1.00 0.00 C ATOM 740 C THR A 47 0.818 -9.133 -3.822 1.00 0.00 C ATOM 741 O THR A 47 1.658 -9.851 -4.352 1.00 0.00 O ATOM 742 CB THR A 47 -0.697 -8.067 -5.512 1.00 0.00 C ATOM 743 OG1 THR A 47 -0.484 -6.730 -5.028 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.051 -8.149 -6.198 1.00 0.00 C ATOM 0 H THR A 47 -1.328 -7.751 -2.885 1.00 0.00 H new ATOM 0 HA THR A 47 -0.910 -10.047 -4.711 1.00 0.00 H new ATOM 0 HB THR A 47 0.075 -8.323 -6.238 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.054 -6.229 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.087 -7.433 -7.019 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.201 -9.156 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.837 -7.917 -5.480 1.00 0.00 H new ATOM 752 N HIS A 48 1.052 -8.408 -2.718 1.00 0.00 N ATOM 753 CA HIS A 48 2.341 -8.363 -2.022 1.00 0.00 C ATOM 754 C HIS A 48 3.428 -7.668 -2.829 1.00 0.00 C ATOM 755 O HIS A 48 4.620 -7.830 -2.558 1.00 0.00 O ATOM 756 CB HIS A 48 2.788 -9.741 -1.486 1.00 0.00 C ATOM 757 CG HIS A 48 2.058 -10.166 -0.240 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.704 -10.538 0.919 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.735 -10.284 0.025 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.809 -10.866 1.837 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.616 -10.721 1.317 1.00 0.00 N ATOM 0 H HIS A 48 0.337 -7.828 -2.279 1.00 0.00 H new ATOM 0 HA HIS A 48 2.175 -7.740 -1.143 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.634 -10.491 -2.262 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.858 -9.712 -1.279 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.076 -10.073 -0.656 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.025 -11.196 2.842 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.264 -10.905 1.799 1.00 0.00 H new ATOM 770 N GLU A 49 2.996 -6.835 -3.752 1.00 0.00 N ATOM 771 CA GLU A 49 3.877 -6.061 -4.602 1.00 0.00 C ATOM 772 C GLU A 49 4.397 -4.850 -3.845 1.00 0.00 C ATOM 773 O GLU A 49 3.960 -4.560 -2.730 1.00 0.00 O ATOM 774 CB GLU A 49 3.104 -5.580 -5.809 1.00 0.00 C ATOM 775 CG GLU A 49 2.540 -6.685 -6.663 1.00 0.00 C ATOM 776 CD GLU A 49 1.603 -6.151 -7.705 1.00 0.00 C ATOM 777 OE1 GLU A 49 0.455 -5.816 -7.337 1.00 0.00 O ATOM 778 OE2 GLU A 49 1.999 -6.067 -8.874 1.00 0.00 O ATOM 0 H GLU A 49 2.006 -6.674 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 49 4.715 -6.686 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.286 -4.943 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.759 -4.961 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.355 -7.224 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.014 -7.401 -6.032 1.00 0.00 H new ATOM 785 N THR A 50 5.319 -4.146 -4.428 1.00 0.00 N ATOM 786 CA THR A 50 5.837 -2.955 -3.824 1.00 0.00 C ATOM 787 C THR A 50 6.058 -1.914 -4.911 1.00 0.00 C ATOM 788 O THR A 50 6.518 -2.232 -6.004 1.00 0.00 O ATOM 789 CB THR A 50 7.152 -3.219 -3.077 1.00 0.00 C ATOM 790 OG1 THR A 50 7.043 -4.465 -2.360 1.00 0.00 O ATOM 791 CG2 THR A 50 7.415 -2.106 -2.066 1.00 0.00 C ATOM 0 H THR A 50 5.732 -4.379 -5.331 1.00 0.00 H new ATOM 0 HA THR A 50 5.115 -2.595 -3.091 1.00 0.00 H new ATOM 0 HB THR A 50 7.967 -3.259 -3.799 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.880 -4.641 -1.881 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.350 -2.304 -1.542 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.486 -1.151 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.597 -2.067 -1.346 1.00 0.00 H new ATOM 799 N ALA A 51 5.704 -0.714 -4.607 1.00 0.00 N ATOM 800 CA ALA A 51 5.770 0.403 -5.534 1.00 0.00 C ATOM 801 C ALA A 51 6.247 1.647 -4.825 1.00 0.00 C ATOM 802 O ALA A 51 6.551 1.604 -3.638 1.00 0.00 O ATOM 803 CB ALA A 51 4.401 0.658 -6.091 1.00 0.00 C ATOM 0 H ALA A 51 5.348 -0.457 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 51 6.468 0.158 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.442 1.495 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.049 -0.232 -6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.716 0.896 -5.277 1.00 0.00 H new ATOM 809 N PHE A 52 6.331 2.745 -5.559 1.00 0.00 N ATOM 810 CA PHE A 52 6.712 4.021 -4.997 1.00 0.00 C ATOM 811 C PHE A 52 5.709 5.077 -5.406 1.00 0.00 C ATOM 812 O PHE A 52 5.632 5.463 -6.577 1.00 0.00 O ATOM 813 CB PHE A 52 8.128 4.444 -5.424 1.00 0.00 C ATOM 814 CG PHE A 52 9.203 3.446 -5.064 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.515 3.191 -3.737 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.881 2.747 -6.050 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.480 2.261 -3.401 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.849 1.816 -5.720 1.00 0.00 C ATOM 819 CZ PHE A 52 11.148 1.572 -4.393 1.00 0.00 C ATOM 0 H PHE A 52 6.136 2.772 -6.560 1.00 0.00 H new ATOM 0 HA PHE A 52 6.719 3.916 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.139 4.601 -6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.365 5.401 -4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.997 3.727 -2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.651 2.932 -7.089 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.711 2.073 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.371 1.280 -6.499 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.902 0.844 -4.133 1.00 0.00 H new ATOM 829 N LEU A 53 4.943 5.530 -4.458 1.00 0.00 N ATOM 830 CA LEU A 53 3.929 6.534 -4.691 1.00 0.00 C ATOM 831 C LEU A 53 4.105 7.638 -3.681 1.00 0.00 C ATOM 832 O LEU A 53 4.644 7.401 -2.611 1.00 0.00 O ATOM 833 CB LEU A 53 2.537 5.929 -4.597 1.00 0.00 C ATOM 834 CG LEU A 53 2.186 4.866 -5.642 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.871 4.251 -5.296 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.119 5.469 -7.044 1.00 0.00 C ATOM 0 H LEU A 53 4.999 5.215 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 53 4.039 6.939 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.423 5.487 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.808 6.736 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 53 2.967 4.106 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.617 3.494 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.934 3.788 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.100 5.022 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.868 4.690 -7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.355 6.246 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.086 5.902 -7.301 1.00 0.00 H new ATOM 848 N GLY A 54 3.682 8.831 -4.016 1.00 0.00 N ATOM 849 CA GLY A 54 3.918 9.952 -3.152 1.00 0.00 C ATOM 850 C GLY A 54 2.838 10.119 -2.139 1.00 0.00 C ATOM 851 O GLY A 54 1.803 9.475 -2.245 1.00 0.00 O ATOM 0 H GLY A 54 3.176 9.047 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.874 9.822 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.996 10.860 -3.750 1.00 0.00 H new ATOM 855 N PRO A 55 3.021 11.028 -1.164 1.00 0.00 N ATOM 856 CA PRO A 55 2.035 11.272 -0.096 1.00 0.00 C ATOM 857 C PRO A 55 0.700 11.767 -0.652 1.00 0.00 C ATOM 858 O PRO A 55 -0.347 11.696 0.006 1.00 0.00 O ATOM 859 CB PRO A 55 2.695 12.363 0.766 1.00 0.00 C ATOM 860 CG PRO A 55 3.731 12.978 -0.107 1.00 0.00 C ATOM 861 CD PRO A 55 4.215 11.881 -1.004 1.00 0.00 C ATOM 0 HA PRO A 55 1.800 10.363 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.964 13.103 1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.140 11.938 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.314 13.802 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.549 13.387 0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.565 12.268 -1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.045 11.333 -0.559 1.00 0.00 H new ATOM 869 N LYS A 56 0.742 12.260 -1.865 1.00 0.00 N ATOM 870 CA LYS A 56 -0.434 12.752 -2.520 1.00 0.00 C ATOM 871 C LYS A 56 -1.100 11.652 -3.342 1.00 0.00 C ATOM 872 O LYS A 56 -2.281 11.730 -3.639 1.00 0.00 O ATOM 873 CB LYS A 56 -0.109 13.966 -3.389 1.00 0.00 C ATOM 874 CG LYS A 56 0.576 15.087 -2.627 1.00 0.00 C ATOM 875 CD LYS A 56 0.795 16.315 -3.503 1.00 0.00 C ATOM 876 CE LYS A 56 1.473 17.438 -2.728 1.00 0.00 C ATOM 877 NZ LYS A 56 1.676 18.652 -3.567 1.00 0.00 N ATOM 0 H LYS A 56 1.594 12.329 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.139 13.070 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.532 13.653 -4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.031 14.346 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.028 15.361 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.535 14.735 -2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.406 16.045 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.163 16.664 -3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.868 17.695 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.436 17.090 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.140 19.391 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.275 18.414 -4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.755 19.000 -3.903 1.00 0.00 H new ATOM 891 N ASP A 57 -0.337 10.616 -3.663 1.00 0.00 N ATOM 892 CA ASP A 57 -0.849 9.481 -4.436 1.00 0.00 C ATOM 893 C ASP A 57 -1.568 8.539 -3.528 1.00 0.00 C ATOM 894 O ASP A 57 -2.362 7.703 -3.976 1.00 0.00 O ATOM 895 CB ASP A 57 0.275 8.675 -5.110 1.00 0.00 C ATOM 896 CG ASP A 57 0.933 9.329 -6.290 1.00 0.00 C ATOM 897 OD1 ASP A 57 0.262 9.462 -7.340 1.00 0.00 O ATOM 898 OD2 ASP A 57 2.159 9.665 -6.199 1.00 0.00 O ATOM 0 H ASP A 57 0.645 10.534 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.505 9.898 -5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.040 8.461 -4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.133 7.717 -5.431 1.00 0.00 H new ATOM 903 N ILE A 58 -1.250 8.647 -2.267 1.00 0.00 N ATOM 904 CA ILE A 58 -1.774 7.784 -1.261 1.00 0.00 C ATOM 905 C ILE A 58 -2.733 8.511 -0.347 1.00 0.00 C ATOM 906 O ILE A 58 -2.642 9.742 -0.132 1.00 0.00 O ATOM 907 CB ILE A 58 -0.643 7.147 -0.435 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.217 8.227 0.213 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.200 6.252 -1.312 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.427 7.710 0.938 1.00 0.00 C ATOM 0 H ILE A 58 -0.606 9.353 -1.910 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.324 6.994 -1.773 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.085 6.542 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.542 8.925 -0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.398 8.791 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.997 5.806 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.423 5.463 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.635 6.840 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.979 8.546 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.113 7.035 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.068 7.173 0.239 1.00 0.00 H new ATOM 922 N PHE A 59 -3.645 7.772 0.177 1.00 0.00 N ATOM 923 CA PHE A 59 -4.648 8.281 1.065 1.00 0.00 C ATOM 924 C PHE A 59 -4.765 7.312 2.212 1.00 0.00 C ATOM 925 O PHE A 59 -4.710 6.148 1.998 1.00 0.00 O ATOM 926 CB PHE A 59 -5.999 8.450 0.343 1.00 0.00 C ATOM 927 CG PHE A 59 -6.016 9.522 -0.730 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.498 9.282 -1.990 1.00 0.00 C ATOM 929 CD2 PHE A 59 -6.546 10.768 -0.464 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.503 10.263 -2.957 1.00 0.00 C ATOM 931 CE2 PHE A 59 -6.560 11.757 -1.430 1.00 0.00 C ATOM 932 CZ PHE A 59 -6.034 11.503 -2.679 1.00 0.00 C ATOM 0 H PHE A 59 -3.723 6.770 0.000 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.365 9.269 1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.275 7.498 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.764 8.684 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.084 8.311 -2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.956 10.974 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.090 10.060 -3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.982 12.726 -1.207 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.038 12.273 -3.436 1.00 0.00 H new ATOM 942 N PRO A 60 -4.874 7.788 3.434 1.00 0.00 N ATOM 943 CA PRO A 60 -4.894 6.917 4.625 1.00 0.00 C ATOM 944 C PRO A 60 -6.117 6.024 4.714 1.00 0.00 C ATOM 945 O PRO A 60 -7.252 6.498 4.716 1.00 0.00 O ATOM 946 CB PRO A 60 -4.851 7.886 5.776 1.00 0.00 C ATOM 947 CG PRO A 60 -5.309 9.188 5.221 1.00 0.00 C ATOM 948 CD PRO A 60 -4.977 9.192 3.775 1.00 0.00 C ATOM 0 HA PRO A 60 -4.061 6.214 4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.498 7.557 6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.843 7.966 6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.382 9.313 5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.818 10.017 5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.750 9.689 3.189 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -4.043 9.719 3.582 1.00 0.00 H new ATOM 956 N TYR A 61 -5.853 4.742 4.882 1.00 0.00 N ATOM 957 CA TYR A 61 -6.863 3.696 4.891 1.00 0.00 C ATOM 958 C TYR A 61 -7.910 3.937 5.961 1.00 0.00 C ATOM 959 O TYR A 61 -9.053 3.599 5.786 1.00 0.00 O ATOM 960 CB TYR A 61 -6.194 2.318 5.083 1.00 0.00 C ATOM 961 CG TYR A 61 -7.158 1.152 5.181 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.612 0.505 4.049 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.618 0.713 6.410 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.501 -0.545 4.131 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.505 -0.332 6.503 1.00 0.00 C ATOM 966 CZ TYR A 61 -8.947 -0.958 5.359 1.00 0.00 C ATOM 967 OH TYR A 61 -9.841 -2.001 5.452 1.00 0.00 O ATOM 0 H TYR A 61 -4.906 4.388 5.020 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.374 3.713 3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.514 2.140 4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.588 2.347 5.988 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.263 0.828 3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.274 1.200 7.311 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.844 -1.039 3.234 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.854 -0.661 7.470 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.702 -2.619 4.704 1.00 0.00 H new ATOM 977 N SER A 62 -7.506 4.521 7.041 1.00 0.00 N ATOM 978 CA SER A 62 -8.383 4.812 8.137 1.00 0.00 C ATOM 979 C SER A 62 -9.510 5.792 7.751 1.00 0.00 C ATOM 980 O SER A 62 -10.695 5.447 7.846 1.00 0.00 O ATOM 981 CB SER A 62 -7.527 5.355 9.251 1.00 0.00 C ATOM 982 OG SER A 62 -6.357 5.969 8.698 1.00 0.00 O ATOM 0 H SER A 62 -6.542 4.816 7.193 1.00 0.00 H new ATOM 0 HA SER A 62 -8.898 3.904 8.452 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.091 6.082 9.836 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.243 4.551 9.930 1.00 0.00 H new ATOM 0 HG SER A 62 -6.549 6.906 8.486 1.00 0.00 H new ATOM 988 N GLU A 63 -9.138 6.968 7.268 1.00 0.00 N ATOM 989 CA GLU A 63 -10.104 7.997 6.918 1.00 0.00 C ATOM 990 C GLU A 63 -10.911 7.610 5.698 1.00 0.00 C ATOM 991 O GLU A 63 -12.086 7.916 5.588 1.00 0.00 O ATOM 992 CB GLU A 63 -9.440 9.367 6.660 1.00 0.00 C ATOM 993 CG GLU A 63 -8.732 10.002 7.854 1.00 0.00 C ATOM 994 CD GLU A 63 -7.272 9.616 8.003 1.00 0.00 C ATOM 995 OE1 GLU A 63 -6.966 8.433 8.273 1.00 0.00 O ATOM 996 OE2 GLU A 63 -6.397 10.497 7.817 1.00 0.00 O ATOM 0 H GLU A 63 -8.166 7.234 7.109 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.764 8.087 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.717 9.252 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.205 10.058 6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.800 11.086 7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.262 9.723 8.764 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.286 6.927 4.792 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.955 6.590 3.541 1.00 0.00 C ATOM 1005 C ASN A 64 -11.302 5.131 3.367 1.00 0.00 C ATOM 1006 O ASN A 64 -11.561 4.668 2.254 1.00 0.00 O ATOM 1007 CB ASN A 64 -10.312 7.240 2.300 1.00 0.00 C ATOM 1008 CG ASN A 64 -8.825 7.309 2.322 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -8.146 6.442 1.841 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.302 8.371 2.891 1.00 0.00 N ATOM 0 H ASN A 64 -9.328 6.588 4.876 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.932 7.064 3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.621 6.683 1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.706 8.251 2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.289 8.479 2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.909 9.087 3.289 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.424 4.436 4.487 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.931 3.045 4.521 1.00 0.00 C ATOM 1019 C LYS A 65 -13.381 3.025 4.030 1.00 0.00 C ATOM 1020 O LYS A 65 -13.865 2.029 3.487 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.835 2.472 5.961 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.598 1.167 6.233 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.617 0.835 7.736 1.00 0.00 C ATOM 1024 CE LYS A 65 -11.384 0.101 8.235 1.00 0.00 C ATOM 1025 NZ LYS A 65 -11.315 -1.293 7.742 1.00 0.00 N ATOM 0 H LYS A 65 -11.179 4.807 5.405 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.323 2.421 3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.783 2.306 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.198 3.230 6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.620 1.257 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.132 0.349 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.725 1.762 8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.497 0.228 7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.491 0.640 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.383 0.098 9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.911 -1.903 8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.272 -1.625 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.714 -1.332 6.894 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.070 4.131 4.210 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.406 4.235 3.731 1.00 0.00 C ATOM 1041 C GLU A 66 -15.435 4.475 2.238 1.00 0.00 C ATOM 1042 O GLU A 66 -16.256 3.897 1.519 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.210 5.265 4.520 1.00 0.00 C ATOM 1044 CG GLU A 66 -15.665 6.672 4.583 1.00 0.00 C ATOM 1045 CD GLU A 66 -16.086 7.570 3.417 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -16.718 7.087 2.455 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -15.753 8.767 3.406 1.00 0.00 O ATOM 0 H GLU A 66 -13.717 4.962 4.685 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.900 3.278 3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.211 5.311 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.316 4.899 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.991 7.133 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.576 6.625 4.614 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.463 5.229 1.773 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.406 5.654 0.399 1.00 0.00 C ATOM 1056 C LYS A 67 -13.926 4.539 -0.495 1.00 0.00 C ATOM 1057 O LYS A 67 -14.635 4.079 -1.377 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.401 6.791 0.261 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.609 7.988 1.151 1.00 0.00 C ATOM 1060 CD LYS A 67 -13.923 9.231 0.351 1.00 0.00 C ATOM 1061 CE LYS A 67 -15.326 9.180 -0.234 1.00 0.00 C ATOM 1062 NZ LYS A 67 -16.374 9.097 0.823 1.00 0.00 N ATOM 0 H LYS A 67 -13.687 5.564 2.344 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.410 5.963 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.406 6.391 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.411 7.131 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.424 7.787 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.714 8.157 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.826 10.109 0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.196 9.340 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.496 10.068 -0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.411 8.318 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.167 9.723 0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.716 8.118 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.971 9.393 1.735 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.736 4.078 -0.214 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.050 3.171 -1.107 1.00 0.00 C ATOM 1078 C TYR A 68 -12.055 1.775 -0.562 1.00 0.00 C ATOM 1079 O TYR A 68 -11.613 0.832 -1.214 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.630 3.680 -1.354 1.00 0.00 C ATOM 1081 CG TYR A 68 -10.607 5.122 -1.803 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.275 5.518 -2.951 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -9.964 6.090 -1.053 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -11.290 6.842 -3.343 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -9.978 7.416 -1.436 1.00 0.00 C ATOM 1086 CZ TYR A 68 -10.639 7.783 -2.580 1.00 0.00 C ATOM 1087 OH TYR A 68 -10.653 9.095 -2.964 1.00 0.00 O ATOM 0 H TYR A 68 -12.216 4.315 0.631 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.575 3.138 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.046 3.577 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.150 3.059 -2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.791 4.780 -3.548 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.442 5.803 -0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.810 7.137 -4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.472 8.160 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.148 9.631 -2.317 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.587 1.641 0.631 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.727 0.355 1.254 1.00 0.00 C ATOM 1099 C GLY A 69 -13.941 -0.368 0.695 1.00 0.00 C ATOM 1100 O GLY A 69 -14.918 -0.625 1.426 1.00 0.00 O ATOM 0 H GLY A 69 -12.932 2.420 1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.830 -0.240 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.830 0.474 2.333 1.00 0.00 H new ATOM 1104 N LYS A 70 -13.934 -0.599 -0.605 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.024 -1.265 -1.294 1.00 0.00 C ATOM 1106 C LYS A 70 -14.509 -2.356 -2.212 1.00 0.00 C ATOM 1107 O LYS A 70 -13.539 -2.148 -2.933 1.00 0.00 O ATOM 1108 CB LYS A 70 -15.894 -0.259 -2.080 1.00 0.00 C ATOM 1109 CG LYS A 70 -16.636 0.727 -1.194 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.658 0.018 -0.310 1.00 0.00 C ATOM 1111 CE LYS A 70 -18.143 0.915 0.809 1.00 0.00 C ATOM 1112 NZ LYS A 70 -17.017 1.340 1.678 1.00 0.00 N ATOM 0 H LYS A 70 -13.165 -0.327 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.652 -1.729 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.259 0.294 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.617 -0.810 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.923 1.266 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.140 1.468 -1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.506 -0.300 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.212 -0.883 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.634 1.793 0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.888 0.388 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.349 1.426 2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.256 0.633 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.655 2.259 1.353 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.155 -3.543 -2.164 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.807 -4.696 -2.995 1.00 0.00 C ATOM 1128 C PRO A 71 -14.640 -4.361 -4.467 1.00 0.00 C ATOM 1129 O PRO A 71 -15.541 -3.759 -5.135 1.00 0.00 O ATOM 1130 CB PRO A 71 -15.981 -5.609 -2.861 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.588 -5.292 -1.542 1.00 0.00 C ATOM 1132 CD PRO A 71 -16.261 -3.855 -1.250 1.00 0.00 C ATOM 0 HA PRO A 71 -13.853 -5.111 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.695 -5.450 -3.669 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.672 -6.653 -2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.667 -5.446 -1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.189 -5.945 -0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.119 -3.207 -1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.968 -3.717 -0.209 1.00 0.00 H new ATOM 1140 N ASN A 72 -13.572 -4.817 -5.001 1.00 0.00 N ATOM 1141 CA ASN A 72 -13.222 -4.485 -6.322 1.00 0.00 C ATOM 1142 C ASN A 72 -13.270 -5.683 -7.202 1.00 0.00 C ATOM 1143 O ASN A 72 -13.638 -6.767 -6.770 1.00 0.00 O ATOM 1144 CB ASN A 72 -11.857 -3.877 -6.364 1.00 0.00 C ATOM 1145 CG ASN A 72 -11.812 -2.754 -7.324 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -11.474 -2.919 -8.496 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.239 -1.637 -6.854 1.00 0.00 N ATOM 0 H ASN A 72 -12.913 -5.435 -4.528 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.946 -3.757 -6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.581 -3.523 -5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.126 -4.634 -6.648 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.313 -0.822 -7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.504 -1.565 -5.872 1.00 0.00 H new ATOM 1154 N LYS A 73 -12.925 -5.476 -8.437 1.00 0.00 N ATOM 1155 CA LYS A 73 -12.945 -6.497 -9.431 1.00 0.00 C ATOM 1156 C LYS A 73 -11.512 -6.823 -9.811 1.00 0.00 C ATOM 1157 O LYS A 73 -11.231 -7.514 -10.777 1.00 0.00 O ATOM 1158 CB LYS A 73 -13.812 -6.043 -10.636 1.00 0.00 C ATOM 1159 CG LYS A 73 -15.328 -5.893 -10.303 1.00 0.00 C ATOM 1160 CD LYS A 73 -15.627 -4.734 -9.329 1.00 0.00 C ATOM 1161 CE LYS A 73 -17.017 -4.829 -8.712 1.00 0.00 C ATOM 1162 NZ LYS A 73 -17.206 -3.824 -7.613 1.00 0.00 N ATOM 0 H LYS A 73 -12.615 -4.569 -8.786 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.404 -7.410 -9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.435 -5.089 -11.003 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.697 -6.764 -11.445 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.882 -5.733 -11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.692 -6.825 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.881 -4.731 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.533 -3.786 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.770 -4.670 -9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.172 -5.833 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.163 -3.918 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.504 -3.992 -6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.082 -2.865 -7.995 1.00 0.00 H new ATOM 1176 N ARG A 74 -10.608 -6.287 -9.018 1.00 0.00 N ATOM 1177 CA ARG A 74 -9.206 -6.585 -9.136 1.00 0.00 C ATOM 1178 C ARG A 74 -8.857 -7.679 -8.136 1.00 0.00 C ATOM 1179 O ARG A 74 -9.219 -7.576 -6.953 1.00 0.00 O ATOM 1180 CB ARG A 74 -8.365 -5.343 -8.816 1.00 0.00 C ATOM 1181 CG ARG A 74 -8.426 -4.200 -9.827 1.00 0.00 C ATOM 1182 CD ARG A 74 -7.824 -4.600 -11.170 1.00 0.00 C ATOM 1183 NE ARG A 74 -7.603 -3.434 -12.061 1.00 0.00 N ATOM 1184 CZ ARG A 74 -7.568 -3.473 -13.410 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -7.921 -4.588 -14.061 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -7.200 -2.388 -14.103 1.00 0.00 N ATOM 0 H ARG A 74 -10.832 -5.629 -8.271 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.994 -6.906 -10.156 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.680 -4.958 -7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.325 -5.652 -8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.463 -3.896 -9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.892 -3.336 -9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.876 -5.110 -11.002 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.486 -5.311 -11.664 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.466 -2.526 -11.617 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.218 -5.412 -13.538 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.893 -4.614 -15.080 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.946 -1.531 -13.612 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.174 -2.418 -15.122 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.193 -8.729 -8.589 1.00 0.00 N ATOM 1201 CA LYS A 75 -7.730 -9.749 -7.675 1.00 0.00 C ATOM 1202 C LYS A 75 -6.603 -9.176 -6.821 1.00 0.00 C ATOM 1203 O LYS A 75 -5.831 -8.358 -7.297 1.00 0.00 O ATOM 1204 CB LYS A 75 -7.275 -11.034 -8.403 1.00 0.00 C ATOM 1205 CG LYS A 75 -6.664 -12.032 -7.439 1.00 0.00 C ATOM 1206 CD LYS A 75 -6.337 -13.370 -8.029 1.00 0.00 C ATOM 1207 CE LYS A 75 -5.654 -14.235 -6.962 1.00 0.00 C ATOM 1208 NZ LYS A 75 -6.465 -14.329 -5.711 1.00 0.00 N ATOM 0 H LYS A 75 -7.967 -8.893 -9.570 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.565 -10.041 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.127 -11.489 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.548 -10.779 -9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.752 -11.602 -7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.353 -12.178 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.246 -13.857 -8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.682 -13.251 -8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.486 -15.236 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.675 -13.816 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.210 -15.196 -5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.275 -13.501 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.476 -14.355 -5.954 1.00 0.00 H new ATOM 1222 N GLY A 76 -6.544 -9.582 -5.570 1.00 0.00 N ATOM 1223 CA GLY A 76 -5.559 -9.070 -4.661 1.00 0.00 C ATOM 1224 C GLY A 76 -6.066 -7.867 -3.907 1.00 0.00 C ATOM 1225 O GLY A 76 -5.663 -7.619 -2.795 1.00 0.00 O ATOM 0 H GLY A 76 -7.176 -10.272 -5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.277 -9.850 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.659 -8.800 -5.214 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.007 -7.160 -4.494 1.00 0.00 N ATOM 1230 CA PHE A 77 -7.559 -5.966 -3.890 1.00 0.00 C ATOM 1231 C PHE A 77 -8.389 -6.350 -2.682 1.00 0.00 C ATOM 1232 O PHE A 77 -8.173 -5.882 -1.579 1.00 0.00 O ATOM 1233 CB PHE A 77 -8.444 -5.249 -4.910 1.00 0.00 C ATOM 1234 CG PHE A 77 -8.929 -3.889 -4.481 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.007 -3.747 -3.618 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.315 -2.754 -4.959 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.451 -2.498 -3.245 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -8.755 -1.505 -4.587 1.00 0.00 C ATOM 1239 CZ PHE A 77 -9.825 -1.376 -3.728 1.00 0.00 C ATOM 0 H PHE A 77 -7.410 -7.395 -5.401 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.750 -5.305 -3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -7.888 -5.144 -5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.309 -5.877 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.503 -4.626 -3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.477 -2.845 -5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.291 -2.401 -2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.261 -0.624 -4.969 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.170 -0.395 -3.436 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.313 -7.243 -2.915 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.264 -7.691 -1.899 1.00 0.00 C ATOM 1251 C ASN A 78 -9.577 -8.514 -0.848 1.00 0.00 C ATOM 1252 O ASN A 78 -9.920 -8.467 0.326 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.379 -8.479 -2.570 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.153 -7.609 -3.525 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -12.336 -6.437 -3.281 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.523 -8.142 -4.651 1.00 0.00 N ATOM 0 H ASN A 78 -9.439 -7.693 -3.822 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.693 -6.822 -1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.957 -9.329 -3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.051 -8.882 -1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.982 -7.570 -5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.354 -9.133 -4.826 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.579 -9.224 -1.280 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.773 -10.048 -0.422 1.00 0.00 C ATOM 1265 C GLU A 79 -6.896 -9.136 0.438 1.00 0.00 C ATOM 1266 O GLU A 79 -6.720 -9.354 1.641 1.00 0.00 O ATOM 1267 CB GLU A 79 -6.961 -10.985 -1.318 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.883 -11.845 -2.183 1.00 0.00 C ATOM 1269 CD GLU A 79 -7.207 -12.540 -3.337 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -6.660 -13.634 -3.171 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -7.272 -12.015 -4.477 1.00 0.00 O ATOM 0 H GLU A 79 -8.294 -9.249 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.368 -10.658 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.297 -10.401 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.329 -11.626 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.353 -12.598 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.681 -11.215 -2.575 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.432 -8.063 -0.179 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.645 -7.083 0.499 1.00 0.00 C ATOM 1280 C GLY A 80 -6.455 -6.269 1.476 1.00 0.00 C ATOM 1281 O GLY A 80 -5.930 -5.837 2.494 1.00 0.00 O ATOM 0 H GLY A 80 -6.598 -7.859 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.832 -7.578 1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.189 -6.417 -0.234 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.746 -6.057 1.161 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.680 -5.370 2.071 1.00 0.00 C ATOM 1287 C LEU A 81 -8.709 -6.078 3.407 1.00 0.00 C ATOM 1288 O LEU A 81 -8.834 -5.443 4.449 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.120 -5.306 1.500 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.377 -4.400 0.283 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -11.822 -4.563 -0.200 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.126 -2.940 0.643 1.00 0.00 C ATOM 0 H LEU A 81 -8.167 -6.353 0.280 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.320 -4.348 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.417 -6.319 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.783 -4.983 2.302 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.693 -4.694 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.993 -3.917 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.996 -5.601 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.507 -4.287 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.312 -2.313 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.794 -2.645 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.092 -2.817 0.964 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.573 -7.391 3.361 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.538 -8.187 4.544 1.00 0.00 C ATOM 1306 C TRP A 82 -7.182 -8.057 5.235 1.00 0.00 C ATOM 1307 O TRP A 82 -7.120 -7.761 6.432 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.855 -9.654 4.225 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.713 -10.535 5.417 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.589 -10.665 6.439 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.612 -11.392 5.714 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -9.090 -11.533 7.372 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.880 -12.002 6.945 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.424 -11.692 5.053 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -7.001 -12.901 7.539 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.547 -12.585 5.636 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.841 -13.181 6.870 1.00 0.00 C ATOM 0 H TRP A 82 -8.485 -7.923 2.495 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.305 -7.822 5.227 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.872 -9.728 3.840 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.189 -10.004 3.436 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.541 -10.159 6.509 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.548 -11.789 8.247 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.193 -11.235 4.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -7.225 -13.360 8.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.622 -12.828 5.134 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -5.137 -13.876 7.302 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.099 -8.248 4.469 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.748 -8.187 5.017 1.00 0.00 C ATOM 1330 C GLU A 83 -4.480 -6.895 5.731 1.00 0.00 C ATOM 1331 O GLU A 83 -4.058 -6.912 6.854 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.663 -8.415 3.968 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.555 -9.826 3.461 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.317 -10.024 2.582 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.177 -9.337 1.548 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.457 -10.866 2.913 1.00 0.00 O ATOM 0 H GLU A 83 -6.138 -8.446 3.469 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.704 -9.006 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.852 -7.755 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.702 -8.123 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.514 -10.513 4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.449 -10.076 2.890 1.00 0.00 H new ATOM 1343 N ILE A 84 -4.804 -5.788 5.112 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.486 -4.492 5.687 1.00 0.00 C ATOM 1345 C ILE A 84 -5.289 -4.212 6.970 1.00 0.00 C ATOM 1346 O ILE A 84 -4.836 -3.485 7.848 1.00 0.00 O ATOM 1347 CB ILE A 84 -4.687 -3.341 4.653 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.149 -2.015 5.208 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.157 -3.207 4.259 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.168 -0.874 4.223 1.00 0.00 C ATOM 0 H ILE A 84 -5.286 -5.751 4.214 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.431 -4.526 5.960 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.122 -3.592 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.738 -1.735 6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.125 -2.167 5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.268 -2.397 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.501 -4.140 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.753 -2.987 5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.771 0.023 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.554 -1.129 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.192 -0.690 3.899 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.441 -4.837 7.091 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.325 -4.546 8.198 1.00 0.00 C ATOM 1364 C ASP A 85 -7.090 -5.530 9.343 1.00 0.00 C ATOM 1365 O ASP A 85 -7.395 -5.251 10.489 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.770 -4.604 7.708 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.707 -3.711 8.491 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.326 -2.559 8.808 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -10.875 -4.079 8.695 1.00 0.00 O ATOM 0 H ASP A 85 -6.785 -5.544 6.442 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.120 -3.546 8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.801 -4.318 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.125 -5.633 7.769 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.530 -6.699 9.018 1.00 0.00 N ATOM 1375 CA ASN A 86 -6.273 -7.727 10.041 1.00 0.00 C ATOM 1376 C ASN A 86 -4.805 -7.834 10.354 1.00 0.00 C ATOM 1377 O ASN A 86 -4.381 -7.676 11.503 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.810 -9.134 9.661 1.00 0.00 C ATOM 1379 CG ASN A 86 -8.326 -9.240 9.580 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -8.910 -10.257 9.958 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -8.955 -8.254 9.022 1.00 0.00 N ATOM 0 H ASN A 86 -6.249 -6.958 8.072 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.821 -7.391 10.921 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.388 -9.420 8.697 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.448 -9.855 10.394 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.964 -8.306 8.884 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.441 -7.426 8.721 1.00 0.00 H new ATOM 1388 N ASN A 87 -4.003 -8.102 9.350 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.574 -8.240 9.582 1.00 0.00 C ATOM 1390 C ASN A 87 -1.790 -7.338 8.630 1.00 0.00 C ATOM 1391 O ASN A 87 -1.236 -7.804 7.659 1.00 0.00 O ATOM 1392 CB ASN A 87 -2.124 -9.699 9.415 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.694 -9.932 9.886 1.00 0.00 C ATOM 1394 OD1 ASN A 87 -0.215 -9.282 10.832 1.00 0.00 O ATOM 1395 ND2 ASN A 87 -0.003 -10.842 9.244 1.00 0.00 N ATOM 0 H ASN A 87 -4.301 -8.228 8.383 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.371 -7.935 10.609 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.797 -10.349 9.975 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.207 -9.983 8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.961 -11.036 9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.429 -11.356 8.473 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.751 -6.020 8.888 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.105 -5.044 7.978 1.00 0.00 C ATOM 1404 C PRO A 88 0.425 -5.154 7.932 1.00 0.00 C ATOM 1405 O PRO A 88 1.084 -4.499 7.140 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.511 -3.698 8.566 1.00 0.00 C ATOM 1407 CG PRO A 88 -1.784 -3.970 10.001 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.373 -5.343 10.050 1.00 0.00 C ATOM 0 HA PRO A 88 -1.419 -5.207 6.947 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.717 -2.961 8.448 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.393 -3.299 8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.869 -3.916 10.590 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.473 -3.234 10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.136 -5.850 10.986 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.460 -5.318 9.967 1.00 0.00 H new ATOM 1416 N LYS A 89 0.967 -5.980 8.778 1.00 0.00 N ATOM 1417 CA LYS A 89 2.404 -6.162 8.878 1.00 0.00 C ATOM 1418 C LYS A 89 2.807 -7.471 8.195 1.00 0.00 C ATOM 1419 O LYS A 89 3.870 -8.021 8.455 1.00 0.00 O ATOM 1420 CB LYS A 89 2.816 -6.174 10.365 1.00 0.00 C ATOM 1421 CG LYS A 89 2.189 -7.304 11.177 1.00 0.00 C ATOM 1422 CD LYS A 89 2.563 -7.226 12.648 1.00 0.00 C ATOM 1423 CE LYS A 89 1.997 -8.409 13.436 1.00 0.00 C ATOM 1424 NZ LYS A 89 0.512 -8.512 13.331 1.00 0.00 N ATOM 0 H LYS A 89 0.430 -6.555 9.427 1.00 0.00 H new ATOM 0 HA LYS A 89 2.916 -5.340 8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.901 -6.254 10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.539 -5.221 10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.104 -7.264 11.076 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.511 -8.263 10.772 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.648 -7.207 12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.188 -6.294 13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.448 -9.332 13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.277 -8.309 14.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.139 -9.013 14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.100 -7.558 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.260 -9.037 12.469 1.00 0.00 H new ATOM 1438 N VAL A 90 1.948 -7.953 7.327 1.00 0.00 N ATOM 1439 CA VAL A 90 2.167 -9.217 6.673 1.00 0.00 C ATOM 1440 C VAL A 90 3.168 -9.132 5.517 1.00 0.00 C ATOM 1441 O VAL A 90 2.990 -8.392 4.547 1.00 0.00 O ATOM 1442 CB VAL A 90 0.832 -9.887 6.210 1.00 0.00 C ATOM 1443 CG1 VAL A 90 0.108 -9.066 5.154 1.00 0.00 C ATOM 1444 CG2 VAL A 90 1.060 -11.320 5.743 1.00 0.00 C ATOM 0 H VAL A 90 1.084 -7.482 7.057 1.00 0.00 H new ATOM 0 HA VAL A 90 2.615 -9.859 7.432 1.00 0.00 H new ATOM 0 HB VAL A 90 0.179 -9.922 7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.812 -9.574 4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.132 -8.083 5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.748 -8.952 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.112 -11.755 5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.757 -11.323 4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.475 -11.908 6.562 1.00 0.00 H new ATOM 1454 N LYS A 91 4.227 -9.868 5.660 1.00 0.00 N ATOM 1455 CA LYS A 91 5.196 -10.047 4.639 1.00 0.00 C ATOM 1456 C LYS A 91 6.009 -11.258 4.971 1.00 0.00 C ATOM 1457 O LYS A 91 5.839 -11.835 6.046 1.00 0.00 O ATOM 1458 CB LYS A 91 6.077 -8.800 4.389 1.00 0.00 C ATOM 1459 CG LYS A 91 6.927 -8.294 5.550 1.00 0.00 C ATOM 1460 CD LYS A 91 7.919 -7.213 5.066 1.00 0.00 C ATOM 1461 CE LYS A 91 7.215 -6.035 4.377 1.00 0.00 C ATOM 1462 NZ LYS A 91 8.172 -5.035 3.844 1.00 0.00 N ATOM 0 H LYS A 91 4.441 -10.374 6.520 1.00 0.00 H new ATOM 0 HA LYS A 91 4.675 -10.196 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.744 -9.021 3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.426 -7.987 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.283 -7.883 6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.474 -9.124 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.491 -6.843 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.631 -7.662 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.597 -6.412 3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.546 -5.550 5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.655 -4.314 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.674 -4.580 4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.859 -5.508 3.223 1.00 0.00 H new ATOM 1476 N PHE A 92 6.841 -11.666 4.061 1.00 0.00 N ATOM 1477 CA PHE A 92 7.662 -12.831 4.260 1.00 0.00 C ATOM 1478 C PHE A 92 8.967 -12.429 4.939 1.00 0.00 C ATOM 1479 O PHE A 92 9.137 -11.272 5.329 1.00 0.00 O ATOM 1480 CB PHE A 92 7.933 -13.527 2.912 1.00 0.00 C ATOM 1481 CG PHE A 92 6.677 -13.891 2.150 1.00 0.00 C ATOM 1482 CD1 PHE A 92 5.805 -14.853 2.638 1.00 0.00 C ATOM 1483 CD2 PHE A 92 6.373 -13.271 0.947 1.00 0.00 C ATOM 1484 CE1 PHE A 92 4.656 -15.184 1.943 1.00 0.00 C ATOM 1485 CE2 PHE A 92 5.228 -13.599 0.248 1.00 0.00 C ATOM 1486 CZ PHE A 92 4.367 -14.556 0.747 1.00 0.00 C ATOM 0 H PHE A 92 6.973 -11.205 3.161 1.00 0.00 H new ATOM 0 HA PHE A 92 7.138 -13.537 4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 92 8.546 -12.872 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.513 -14.432 3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.026 -15.349 3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.042 -12.521 0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.985 -15.934 2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.006 -13.108 -0.688 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.470 -14.813 0.204 1.00 0.00 H new ATOM 1496 N SER A 93 9.865 -13.372 5.087 1.00 0.00 N ATOM 1497 CA SER A 93 11.141 -13.130 5.696 1.00 0.00 C ATOM 1498 C SER A 93 11.993 -12.237 4.793 1.00 0.00 C ATOM 1499 O SER A 93 12.259 -12.607 3.638 1.00 0.00 O ATOM 1500 CB SER A 93 11.808 -14.475 5.937 1.00 0.00 C ATOM 1501 OG SER A 93 11.716 -15.278 4.767 1.00 0.00 O ATOM 0 H SER A 93 9.725 -14.336 4.784 1.00 0.00 H new ATOM 0 HA SER A 93 11.023 -12.609 6.646 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.854 -14.329 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 93 11.331 -14.982 6.775 1.00 0.00 H new ATOM 0 HG SER A 93 11.822 -14.713 3.973 1.00 0.00 H new TER 1507 SER A 93