USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 700 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 40 THR OG1 : rot -74:sc= 0.439 USER MOD Set 1.2: A 78 SER OG : rot 174:sc= 0.684 USER MOD Set 2.1: A 26 THR OG1 : rot -171:sc= 0.985 USER MOD Set 2.2: A 28 SER OG : rot -74:sc= 1.16 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -110:sc= 1.22 (180deg=-0.589) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0.95 (180deg=0.912) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -63:sc= 0.835 USER MOD Single : A 29 SER OG : rot 170:sc= 0.865 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0.815 (180deg=0.774) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.758 K(o=0.76,f=-2.8!) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -145:sc= -0.0806 (180deg=-1.06) USER MOD Single : A 46 GLN : amide:sc= 0.853 K(o=0.85,f=-0.022) USER MOD Single : A 48 TYR OH : rot -31:sc= 0.586 USER MOD Single : A 49 TYR OH : rot 115:sc= 0.856 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 30:sc= 0.241 USER MOD Single : A 60 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.3) USER MOD Single : A 62 ASN : amide:sc= 1.15 K(o=1.1,f=-5.9!) USER MOD Single : A 64 TYR OH : rot -177:sc= 0.288 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 70 SER OG : rot 63:sc= 0.767 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc=-0.00465 K(o=-0.0047,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.902 20.326 2.557 1.00 0.00 N ATOM 2 CA ALA A 1 -9.973 20.421 3.675 1.00 0.00 C ATOM 3 C ALA A 1 -9.447 19.044 4.071 1.00 0.00 C ATOM 4 O ALA A 1 -10.223 18.116 4.299 1.00 0.00 O ATOM 5 CB ALA A 1 -10.643 21.095 4.863 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.244 21.276 2.308 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.417 19.907 1.738 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.709 19.727 2.826 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.124 21.028 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.937 21.159 5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.962 22.098 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.511 20.511 5.171 1.00 0.00 H new ATOM 11 N ALA A 2 -8.127 18.919 4.150 1.00 0.00 N ATOM 12 CA ALA A 2 -7.500 17.661 4.535 1.00 0.00 C ATOM 13 C ALA A 2 -7.211 17.628 6.032 1.00 0.00 C ATOM 14 O ALA A 2 -6.346 18.354 6.523 1.00 0.00 O ATOM 15 CB ALA A 2 -6.219 17.446 3.743 1.00 0.00 C ATOM 0 H ALA A 2 -7.470 19.674 3.952 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.194 16.852 4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.761 16.503 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.450 17.417 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.527 18.264 3.942 1.00 0.00 H new ATOM 21 N VAL A 3 -7.940 16.782 6.752 1.00 0.00 N ATOM 22 CA VAL A 3 -7.749 16.643 8.191 1.00 0.00 C ATOM 23 C VAL A 3 -7.491 15.189 8.573 1.00 0.00 C ATOM 24 O VAL A 3 -8.393 14.354 8.523 1.00 0.00 O ATOM 25 CB VAL A 3 -8.969 17.161 8.976 1.00 0.00 C ATOM 26 CG1 VAL A 3 -8.754 16.988 10.471 1.00 0.00 C ATOM 27 CG2 VAL A 3 -9.235 18.622 8.643 1.00 0.00 C ATOM 0 H VAL A 3 -8.668 16.183 6.363 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.879 17.245 8.453 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.840 16.575 8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.626 17.359 11.009 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.610 15.932 10.698 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.872 17.549 10.779 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.100 18.972 9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.363 19.220 8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.432 18.722 7.576 1.00 0.00 H new ATOM 37 N ARG A 4 -6.252 14.895 8.954 1.00 0.00 N ATOM 38 CA ARG A 4 -5.845 13.525 9.241 1.00 0.00 C ATOM 39 C ARG A 4 -5.906 12.666 7.982 1.00 0.00 C ATOM 40 O ARG A 4 -6.057 11.445 8.056 1.00 0.00 O ATOM 41 CB ARG A 4 -6.650 12.911 10.377 1.00 0.00 C ATOM 42 CG ARG A 4 -6.559 13.655 11.699 1.00 0.00 C ATOM 43 CD ARG A 4 -7.412 13.092 12.778 1.00 0.00 C ATOM 44 NE ARG A 4 -7.446 13.886 13.997 1.00 0.00 N ATOM 45 CZ ARG A 4 -8.168 13.578 15.090 1.00 0.00 C ATOM 46 NH1 ARG A 4 -8.946 12.519 15.112 1.00 0.00 N ATOM 47 NH2 ARG A 4 -8.093 14.384 16.136 1.00 0.00 N ATOM 0 H ARG A 4 -5.513 15.588 9.071 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.809 13.558 9.578 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.696 12.861 10.076 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.313 11.886 10.529 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.522 13.652 12.033 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.839 14.696 11.537 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.429 12.985 12.401 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.055 12.091 13.021 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.883 14.736 14.025 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.009 11.916 14.292 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.486 12.300 15.949 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.499 15.213 16.100 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.629 14.177 16.979 1.00 0.00 H new ATOM 61 N LYS A 5 -5.789 13.309 6.825 1.00 0.00 N ATOM 62 CA LYS A 5 -5.711 12.596 5.556 1.00 0.00 C ATOM 63 C LYS A 5 -4.285 12.603 5.015 1.00 0.00 C ATOM 64 O LYS A 5 -3.561 13.588 5.158 1.00 0.00 O ATOM 65 CB LYS A 5 -6.667 13.213 4.534 1.00 0.00 C ATOM 66 CG LYS A 5 -8.141 13.103 4.904 1.00 0.00 C ATOM 67 CD LYS A 5 -9.025 13.766 3.859 1.00 0.00 C ATOM 68 CE LYS A 5 -10.494 13.695 4.249 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.373 14.320 3.224 1.00 0.00 N ATOM 0 H LYS A 5 -5.746 14.325 6.740 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.007 11.562 5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.414 14.266 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.510 12.730 3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.416 12.053 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.310 13.569 5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.729 14.808 3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.879 13.279 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.782 12.653 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.640 14.196 5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.365 14.250 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.115 15.321 3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.254 13.826 2.317 1.00 0.00 H new ATOM 83 N ILE A 6 -3.889 11.498 4.392 1.00 0.00 N ATOM 84 CA ILE A 6 -2.538 11.363 3.862 1.00 0.00 C ATOM 85 C ILE A 6 -2.551 10.724 2.477 1.00 0.00 C ATOM 86 O ILE A 6 -3.463 9.970 2.138 1.00 0.00 O ATOM 87 CB ILE A 6 -1.647 10.524 4.796 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.260 9.139 5.018 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.446 11.240 6.124 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.377 8.199 5.806 1.00 0.00 C ATOM 0 H ILE A 6 -4.484 10.684 4.242 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.126 12.370 3.790 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.673 10.397 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.210 9.252 5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.479 8.690 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.814 10.633 6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.967 12.204 5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.413 11.397 6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.880 7.239 5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.436 8.054 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.178 8.625 6.789 1.00 0.00 H new ATOM 102 N HIS A 7 -1.532 11.031 1.680 1.00 0.00 N ATOM 103 CA HIS A 7 -1.347 10.376 0.390 1.00 0.00 C ATOM 104 C HIS A 7 -0.211 9.362 0.453 1.00 0.00 C ATOM 105 O HIS A 7 0.774 9.560 1.166 1.00 0.00 O ATOM 106 CB HIS A 7 -1.072 11.408 -0.708 1.00 0.00 C ATOM 107 CG HIS A 7 -2.202 12.364 -0.933 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.310 12.041 -1.687 1.00 0.00 N ATOM 109 CD2 HIS A 7 -2.394 13.635 -0.505 1.00 0.00 C ATOM 110 CE1 HIS A 7 -4.138 13.072 -1.711 1.00 0.00 C ATOM 111 NE2 HIS A 7 -3.605 14.050 -1.003 1.00 0.00 N ATOM 0 H HIS A 7 -0.823 11.729 1.905 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.269 9.847 0.149 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.177 11.973 -0.448 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.859 10.885 -1.640 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.722 14.213 0.112 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.088 13.108 -2.223 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.025 14.967 -0.850 1.00 0.00 H new ATOM 118 N VAL A 8 -0.354 8.274 -0.298 1.00 0.00 N ATOM 119 CA VAL A 8 0.689 7.256 -0.375 1.00 0.00 C ATOM 120 C VAL A 8 1.124 7.023 -1.816 1.00 0.00 C ATOM 121 O VAL A 8 0.293 6.854 -2.710 1.00 0.00 O ATOM 122 CB VAL A 8 0.219 5.920 0.233 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.314 4.870 0.117 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.185 6.108 1.686 1.00 0.00 C ATOM 0 H VAL A 8 -1.181 8.075 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 8 1.536 7.628 0.201 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.652 5.575 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.966 3.932 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.559 4.715 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.202 5.210 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.514 5.154 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.668 6.475 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.000 6.830 1.747 1.00 0.00 H new ATOM 134 N THR A 9 2.435 7.016 -2.039 1.00 0.00 N ATOM 135 CA THR A 9 2.983 6.802 -3.373 1.00 0.00 C ATOM 136 C THR A 9 3.171 5.316 -3.657 1.00 0.00 C ATOM 137 O THR A 9 3.905 4.626 -2.947 1.00 0.00 O ATOM 138 CB THR A 9 4.331 7.524 -3.552 1.00 0.00 C ATOM 139 OG1 THR A 9 4.144 8.937 -3.390 1.00 0.00 O ATOM 140 CG2 THR A 9 4.905 7.248 -4.933 1.00 0.00 C ATOM 0 H THR A 9 3.137 7.156 -1.312 1.00 0.00 H new ATOM 0 HA THR A 9 2.264 7.216 -4.080 1.00 0.00 H new ATOM 0 HB THR A 9 5.027 7.153 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.003 9.396 -3.502 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.858 7.766 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.059 6.176 -5.055 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.210 7.604 -5.694 1.00 0.00 H new ATOM 148 N VAL A 10 2.505 4.828 -4.698 1.00 0.00 N ATOM 149 CA VAL A 10 2.556 3.413 -5.042 1.00 0.00 C ATOM 150 C VAL A 10 3.537 3.159 -6.182 1.00 0.00 C ATOM 151 O VAL A 10 3.321 3.600 -7.311 1.00 0.00 O ATOM 152 CB VAL A 10 1.169 2.877 -5.442 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.230 1.380 -5.705 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.146 3.185 -4.359 1.00 0.00 C ATOM 0 H VAL A 10 1.924 5.392 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 10 2.894 2.885 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 10 0.860 3.376 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.241 1.019 -5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.932 1.181 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.561 0.865 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.828 2.799 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.452 2.713 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.081 4.264 -4.216 1.00 0.00 H new ATOM 164 N LYS A 11 4.615 2.443 -5.880 1.00 0.00 N ATOM 165 CA LYS A 11 5.683 2.222 -6.847 1.00 0.00 C ATOM 166 C LYS A 11 5.647 0.794 -7.382 1.00 0.00 C ATOM 167 O LYS A 11 5.854 -0.164 -6.635 1.00 0.00 O ATOM 168 CB LYS A 11 7.046 2.517 -6.220 1.00 0.00 C ATOM 169 CG LYS A 11 7.260 3.977 -5.840 1.00 0.00 C ATOM 170 CD LYS A 11 8.661 4.205 -5.290 1.00 0.00 C ATOM 171 CE LYS A 11 8.914 5.679 -5.014 1.00 0.00 C ATOM 172 NZ LYS A 11 10.308 5.929 -4.556 1.00 0.00 N ATOM 0 H LYS A 11 4.772 2.006 -4.972 1.00 0.00 H new ATOM 0 HA LYS A 11 5.527 2.905 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.163 1.901 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.827 2.218 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.103 4.609 -6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.522 4.273 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.790 3.633 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.398 3.835 -6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.721 6.256 -5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.215 6.031 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.300 6.197 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.874 5.065 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.725 6.700 -5.117 1.00 0.00 H new ATOM 186 N PHE A 12 5.385 0.657 -8.677 1.00 0.00 N ATOM 187 CA PHE A 12 5.648 -0.591 -9.383 1.00 0.00 C ATOM 188 C PHE A 12 6.885 -0.467 -10.266 1.00 0.00 C ATOM 189 O PHE A 12 7.297 0.628 -10.650 1.00 0.00 O ATOM 190 CB PHE A 12 4.435 -0.997 -10.224 1.00 0.00 C ATOM 191 CG PHE A 12 3.240 -1.401 -9.409 1.00 0.00 C ATOM 192 CD1 PHE A 12 3.071 -2.716 -9.004 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.283 -0.466 -9.045 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.971 -3.089 -8.255 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.182 -0.836 -8.295 1.00 0.00 C ATOM 196 CZ PHE A 12 1.027 -2.147 -7.900 1.00 0.00 C ATOM 0 H PHE A 12 4.990 1.396 -9.259 1.00 0.00 H new ATOM 0 HA PHE A 12 5.834 -1.366 -8.640 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.158 -0.164 -10.870 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.716 -1.825 -10.874 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.807 -3.457 -9.277 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.399 0.563 -9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.850 -4.117 -7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.444 -0.098 -8.019 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.168 -2.437 -7.313 1.00 0.00 H new ATOM 206 N PRO A 13 7.493 -1.616 -10.597 1.00 0.00 N ATOM 207 CA PRO A 13 8.660 -1.667 -11.485 1.00 0.00 C ATOM 208 C PRO A 13 8.347 -1.146 -12.883 1.00 0.00 C ATOM 209 O PRO A 13 9.238 -0.690 -13.599 1.00 0.00 O ATOM 210 CB PRO A 13 9.044 -3.150 -11.504 1.00 0.00 C ATOM 211 CG PRO A 13 7.795 -3.863 -11.113 1.00 0.00 C ATOM 212 CD PRO A 13 7.118 -2.963 -10.114 1.00 0.00 C ATOM 0 HA PRO A 13 9.470 -1.028 -11.135 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.385 -3.459 -12.492 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.855 -3.359 -10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.156 -4.040 -11.978 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.018 -4.837 -10.677 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.037 -3.105 -10.105 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.471 -3.144 -9.099 1.00 0.00 H new ATOM 220 N SER A 14 7.075 -1.217 -13.265 1.00 0.00 N ATOM 221 CA SER A 14 6.664 -0.865 -14.619 1.00 0.00 C ATOM 222 C SER A 14 5.915 0.464 -14.632 1.00 0.00 C ATOM 223 O SER A 14 5.804 1.118 -15.668 1.00 0.00 O ATOM 224 CB SER A 14 5.802 -1.966 -15.207 1.00 0.00 C ATOM 225 OG SER A 14 4.619 -2.153 -14.481 1.00 0.00 O ATOM 0 H SER A 14 6.313 -1.515 -12.656 1.00 0.00 H new ATOM 0 HA SER A 14 7.559 -0.754 -15.232 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.558 -1.722 -16.241 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.367 -2.898 -15.225 1.00 0.00 H new ATOM 0 HG SER A 14 4.092 -2.869 -14.893 1.00 0.00 H new ATOM 231 N LYS A 15 5.404 0.858 -13.470 1.00 0.00 N ATOM 232 CA LYS A 15 4.523 2.017 -13.376 1.00 0.00 C ATOM 233 C LYS A 15 4.527 2.589 -11.963 1.00 0.00 C ATOM 234 O LYS A 15 4.898 1.906 -11.007 1.00 0.00 O ATOM 235 CB LYS A 15 3.097 1.643 -13.790 1.00 0.00 C ATOM 236 CG LYS A 15 2.421 0.633 -12.873 1.00 0.00 C ATOM 237 CD LYS A 15 1.071 0.202 -13.426 1.00 0.00 C ATOM 238 CE LYS A 15 0.061 1.338 -13.371 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.336 0.850 -13.529 1.00 0.00 N ATOM 0 H LYS A 15 5.585 0.392 -12.581 1.00 0.00 H new ATOM 0 HA LYS A 15 4.897 2.781 -14.058 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.491 2.549 -13.822 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.120 1.239 -14.802 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.063 -0.240 -12.754 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.288 1.069 -11.883 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.188 -0.133 -14.457 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.697 -0.648 -12.855 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.157 1.862 -12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.284 2.060 -14.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.979 1.662 -13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.402 0.257 -14.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.604 0.289 -12.695 1.00 0.00 H new ATOM 253 N GLN A 16 4.112 3.846 -11.837 1.00 0.00 N ATOM 254 CA GLN A 16 3.932 4.463 -10.528 1.00 0.00 C ATOM 255 C GLN A 16 2.664 5.311 -10.496 1.00 0.00 C ATOM 256 O GLN A 16 2.259 5.878 -11.511 1.00 0.00 O ATOM 257 CB GLN A 16 5.143 5.328 -10.169 1.00 0.00 C ATOM 258 CG GLN A 16 6.438 4.549 -10.009 1.00 0.00 C ATOM 259 CD GLN A 16 7.597 5.433 -9.588 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.437 6.642 -9.399 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.773 4.835 -9.440 1.00 0.00 N ATOM 0 H GLN A 16 3.894 4.456 -12.625 1.00 0.00 H new ATOM 0 HA GLN A 16 3.836 3.664 -9.793 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.279 6.083 -10.944 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.934 5.859 -9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.296 3.763 -9.268 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.682 4.058 -10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.860 3.832 -9.607 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.590 5.378 -9.159 1.00 0.00 H new ATOM 270 N PHE A 17 2.042 5.393 -9.324 1.00 0.00 N ATOM 271 CA PHE A 17 0.881 6.255 -9.133 1.00 0.00 C ATOM 272 C PHE A 17 0.624 6.500 -7.650 1.00 0.00 C ATOM 273 O PHE A 17 1.163 5.802 -6.790 1.00 0.00 O ATOM 274 CB PHE A 17 -0.356 5.639 -9.790 1.00 0.00 C ATOM 275 CG PHE A 17 -0.733 4.296 -9.232 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.557 4.196 -8.121 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.264 3.129 -9.817 1.00 0.00 C ATOM 278 CE1 PHE A 17 -1.904 2.961 -7.608 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.609 1.893 -9.307 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.431 1.809 -8.200 1.00 0.00 C ATOM 0 H PHE A 17 2.323 4.873 -8.492 1.00 0.00 H new ATOM 0 HA PHE A 17 1.089 7.214 -9.608 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.198 6.321 -9.670 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.176 5.540 -10.860 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.932 5.094 -7.652 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.379 3.188 -10.683 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.547 2.898 -6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.237 0.993 -9.773 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.702 0.844 -7.799 1.00 0.00 H new ATOM 290 N THR A 18 -0.202 7.500 -7.357 1.00 0.00 N ATOM 291 CA THR A 18 -0.470 7.891 -5.978 1.00 0.00 C ATOM 292 C THR A 18 -1.902 7.557 -5.579 1.00 0.00 C ATOM 293 O THR A 18 -2.804 7.548 -6.418 1.00 0.00 O ATOM 294 CB THR A 18 -0.223 9.395 -5.760 1.00 0.00 C ATOM 295 OG1 THR A 18 -1.081 10.152 -6.624 1.00 0.00 O ATOM 296 CG2 THR A 18 1.226 9.747 -6.056 1.00 0.00 C ATOM 0 H THR A 18 -0.697 8.054 -8.056 1.00 0.00 H new ATOM 0 HA THR A 18 0.219 7.325 -5.351 1.00 0.00 H new ATOM 0 HB THR A 18 -0.438 9.636 -4.719 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.925 11.109 -6.484 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.381 10.814 -5.896 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.881 9.182 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.457 9.498 -7.092 1.00 0.00 H new ATOM 304 N VAL A 19 -2.105 7.281 -4.295 1.00 0.00 N ATOM 305 CA VAL A 19 -3.441 7.021 -3.771 1.00 0.00 C ATOM 306 C VAL A 19 -3.720 7.865 -2.533 1.00 0.00 C ATOM 307 O VAL A 19 -2.795 8.328 -1.866 1.00 0.00 O ATOM 308 CB VAL A 19 -3.631 5.532 -3.422 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.492 4.671 -4.669 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.627 5.102 -2.364 1.00 0.00 C ATOM 0 H VAL A 19 -1.362 7.232 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.146 7.292 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.635 5.397 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.629 3.623 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.247 4.963 -5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.500 4.810 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.775 4.048 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.615 5.251 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.770 5.698 -1.463 1.00 0.00 H new ATOM 320 N GLU A 20 -5.000 8.058 -2.232 1.00 0.00 N ATOM 321 CA GLU A 20 -5.400 8.872 -1.089 1.00 0.00 C ATOM 322 C GLU A 20 -6.042 8.009 -0.006 1.00 0.00 C ATOM 323 O GLU A 20 -7.007 7.288 -0.262 1.00 0.00 O ATOM 324 CB GLU A 20 -6.366 9.976 -1.527 1.00 0.00 C ATOM 325 CG GLU A 20 -6.837 10.883 -0.399 1.00 0.00 C ATOM 326 CD GLU A 20 -7.786 11.934 -0.903 1.00 0.00 C ATOM 327 OE1 GLU A 20 -8.085 11.924 -2.073 1.00 0.00 O ATOM 328 OE2 GLU A 20 -8.300 12.676 -0.099 1.00 0.00 O ATOM 0 H GLU A 20 -5.777 7.663 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.505 9.335 -0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.880 10.586 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.237 9.516 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.327 10.286 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.977 11.361 0.069 1.00 0.00 H new ATOM 335 N VAL A 21 -5.498 8.087 1.204 1.00 0.00 N ATOM 336 CA VAL A 21 -6.014 7.310 2.326 1.00 0.00 C ATOM 337 C VAL A 21 -6.085 8.156 3.592 1.00 0.00 C ATOM 338 O VAL A 21 -5.580 9.278 3.631 1.00 0.00 O ATOM 339 CB VAL A 21 -5.146 6.067 2.598 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.181 5.123 1.406 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.715 6.473 2.913 1.00 0.00 C ATOM 0 H VAL A 21 -4.700 8.680 1.433 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.018 6.986 2.051 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.554 5.546 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.563 4.250 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.208 4.805 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.798 5.636 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.117 5.581 3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.297 7.018 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.704 7.111 3.796 1.00 0.00 H new ATOM 351 N ASP A 22 -6.716 7.611 4.626 1.00 0.00 N ATOM 352 CA ASP A 22 -6.799 8.286 5.916 1.00 0.00 C ATOM 353 C ASP A 22 -5.686 7.820 6.847 1.00 0.00 C ATOM 354 O ASP A 22 -5.268 6.663 6.800 1.00 0.00 O ATOM 355 CB ASP A 22 -8.165 8.044 6.563 1.00 0.00 C ATOM 356 CG ASP A 22 -8.495 8.991 7.709 1.00 0.00 C ATOM 357 OD1 ASP A 22 -7.825 8.934 8.712 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.305 9.867 7.515 1.00 0.00 O ATOM 0 H ASP A 22 -7.178 6.702 4.596 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.678 9.355 5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.937 8.135 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.202 7.019 6.933 1.00 0.00 H new ATOM 363 N ARG A 23 -5.208 8.729 7.690 1.00 0.00 N ATOM 364 CA ARG A 23 -4.102 8.428 8.593 1.00 0.00 C ATOM 365 C ARG A 23 -4.506 7.366 9.611 1.00 0.00 C ATOM 366 O ARG A 23 -3.686 6.552 10.035 1.00 0.00 O ATOM 367 CB ARG A 23 -3.556 9.676 9.271 1.00 0.00 C ATOM 368 CG ARG A 23 -2.366 9.437 10.188 1.00 0.00 C ATOM 369 CD ARG A 23 -1.771 10.675 10.753 1.00 0.00 C ATOM 370 NE ARG A 23 -0.729 10.446 11.742 1.00 0.00 N ATOM 371 CZ ARG A 23 -0.112 11.417 12.443 1.00 0.00 C ATOM 372 NH1 ARG A 23 -0.400 12.684 12.241 1.00 0.00 N ATOM 373 NH2 ARG A 23 0.808 11.062 13.322 1.00 0.00 N ATOM 0 H ARG A 23 -5.569 9.680 7.767 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.290 8.024 7.989 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.266 10.392 8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.356 10.137 9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.678 8.791 11.008 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.597 8.899 9.633 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.357 11.269 9.938 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.563 11.269 11.209 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.445 9.482 11.917 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.099 12.943 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.076 13.407 12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.033 10.076 13.454 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.293 11.774 13.868 1.00 0.00 H new ATOM 387 N THR A 24 -5.777 7.381 10.002 1.00 0.00 N ATOM 388 CA THR A 24 -6.253 6.529 11.085 1.00 0.00 C ATOM 389 C THR A 24 -6.720 5.179 10.556 1.00 0.00 C ATOM 390 O THR A 24 -7.021 4.271 11.331 1.00 0.00 O ATOM 391 CB THR A 24 -7.408 7.192 11.860 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.534 7.365 10.989 1.00 0.00 O ATOM 393 CG2 THR A 24 -6.978 8.546 12.402 1.00 0.00 C ATOM 0 H THR A 24 -6.495 7.974 9.585 1.00 0.00 H new ATOM 0 HA THR A 24 -5.412 6.381 11.762 1.00 0.00 H new ATOM 0 HB THR A 24 -7.682 6.548 12.696 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.292 7.972 10.258 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.806 9.000 12.946 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.130 8.416 13.074 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.689 9.194 11.575 1.00 0.00 H new ATOM 401 N GLU A 25 -6.774 5.051 9.234 1.00 0.00 N ATOM 402 CA GLU A 25 -7.178 3.800 8.604 1.00 0.00 C ATOM 403 C GLU A 25 -6.032 2.794 8.607 1.00 0.00 C ATOM 404 O GLU A 25 -4.861 3.168 8.688 1.00 0.00 O ATOM 405 CB GLU A 25 -7.658 4.051 7.173 1.00 0.00 C ATOM 406 CG GLU A 25 -9.044 4.671 7.073 1.00 0.00 C ATOM 407 CD GLU A 25 -10.106 3.713 7.540 1.00 0.00 C ATOM 408 OE1 GLU A 25 -10.187 2.637 6.999 1.00 0.00 O ATOM 409 OE2 GLU A 25 -10.762 4.011 8.511 1.00 0.00 O ATOM 0 H GLU A 25 -6.543 5.798 8.579 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.002 3.382 9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.944 4.705 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.657 3.105 6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.082 5.580 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.241 4.961 6.041 1.00 0.00 H new ATOM 416 N THR A 26 -6.377 1.512 8.520 1.00 0.00 N ATOM 417 CA THR A 26 -5.376 0.453 8.472 1.00 0.00 C ATOM 418 C THR A 26 -4.883 0.227 7.047 1.00 0.00 C ATOM 419 O THR A 26 -5.447 0.761 6.092 1.00 0.00 O ATOM 420 CB THR A 26 -5.929 -0.872 9.029 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.087 -1.263 8.282 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.303 -0.718 10.495 1.00 0.00 C ATOM 0 H THR A 26 -7.342 1.183 8.481 1.00 0.00 H new ATOM 0 HA THR A 26 -4.543 0.779 9.095 1.00 0.00 H new ATOM 0 HB THR A 26 -5.157 -1.636 8.939 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.519 -2.024 8.723 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.692 -1.664 10.873 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.420 -0.434 11.068 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.065 0.054 10.597 1.00 0.00 H new ATOM 430 N VAL A 27 -3.826 -0.567 6.910 1.00 0.00 N ATOM 431 CA VAL A 27 -3.218 -0.814 5.609 1.00 0.00 C ATOM 432 C VAL A 27 -4.181 -1.544 4.681 1.00 0.00 C ATOM 433 O VAL A 27 -4.017 -1.528 3.461 1.00 0.00 O ATOM 434 CB VAL A 27 -1.920 -1.633 5.738 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.863 -0.844 6.495 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.193 -2.957 6.436 1.00 0.00 C ATOM 0 H VAL A 27 -3.373 -1.051 7.685 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.979 0.161 5.183 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.544 -1.840 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.047 -1.439 6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.646 0.080 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.231 -0.607 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.265 -3.523 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.592 -2.767 7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.917 -3.531 5.858 1.00 0.00 H new ATOM 446 N SER A 28 -5.188 -2.185 5.267 1.00 0.00 N ATOM 447 CA SER A 28 -6.188 -2.910 4.492 1.00 0.00 C ATOM 448 C SER A 28 -6.957 -1.965 3.575 1.00 0.00 C ATOM 449 O SER A 28 -7.416 -2.358 2.502 1.00 0.00 O ATOM 450 CB SER A 28 -7.140 -3.641 5.418 1.00 0.00 C ATOM 451 OG SER A 28 -7.920 -2.757 6.177 1.00 0.00 O ATOM 0 H SER A 28 -5.333 -2.217 6.276 1.00 0.00 H new ATOM 0 HA SER A 28 -5.674 -3.641 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.793 -4.287 4.830 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.571 -4.287 6.086 1.00 0.00 H new ATOM 0 HG SER A 28 -7.367 -2.351 6.877 1.00 0.00 H new ATOM 457 N SER A 29 -7.091 -0.714 4.003 1.00 0.00 N ATOM 458 CA SER A 29 -7.675 0.324 3.162 1.00 0.00 C ATOM 459 C SER A 29 -6.701 0.749 2.068 1.00 0.00 C ATOM 460 O SER A 29 -7.100 1.023 0.936 1.00 0.00 O ATOM 461 CB SER A 29 -8.080 1.516 4.006 1.00 0.00 C ATOM 462 OG SER A 29 -9.133 1.211 4.878 1.00 0.00 O ATOM 0 H SER A 29 -6.803 -0.395 4.928 1.00 0.00 H new ATOM 0 HA SER A 29 -8.565 -0.083 2.682 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.221 1.860 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.376 2.337 3.354 1.00 0.00 H new ATOM 0 HG SER A 29 -9.256 1.947 5.513 1.00 0.00 H new ATOM 468 N LEU A 30 -5.419 0.802 2.415 1.00 0.00 N ATOM 469 CA LEU A 30 -4.384 1.187 1.461 1.00 0.00 C ATOM 470 C LEU A 30 -4.272 0.162 0.336 1.00 0.00 C ATOM 471 O LEU A 30 -4.214 0.520 -0.840 1.00 0.00 O ATOM 472 CB LEU A 30 -3.036 1.349 2.175 1.00 0.00 C ATOM 473 CG LEU A 30 -1.856 1.713 1.266 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.128 3.034 0.560 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.583 1.797 2.094 1.00 0.00 C ATOM 0 H LEU A 30 -5.072 0.583 3.349 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.664 2.144 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.138 2.120 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.802 0.418 2.692 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.731 0.941 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.284 3.283 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.031 2.944 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.264 3.821 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.255 2.056 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.698 2.562 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.392 0.834 2.567 1.00 0.00 H new ATOM 487 N LYS A 31 -4.246 -1.113 0.706 1.00 0.00 N ATOM 488 CA LYS A 31 -4.104 -2.188 -0.268 1.00 0.00 C ATOM 489 C LYS A 31 -5.356 -2.309 -1.130 1.00 0.00 C ATOM 490 O LYS A 31 -5.279 -2.682 -2.302 1.00 0.00 O ATOM 491 CB LYS A 31 -3.818 -3.516 0.436 1.00 0.00 C ATOM 492 CG LYS A 31 -5.019 -4.121 1.150 1.00 0.00 C ATOM 493 CD LYS A 31 -4.630 -5.371 1.926 1.00 0.00 C ATOM 494 CE LYS A 31 -5.847 -6.038 2.550 1.00 0.00 C ATOM 495 NZ LYS A 31 -5.477 -7.241 3.344 1.00 0.00 N ATOM 0 H LYS A 31 -4.321 -1.427 1.673 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.262 -1.946 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.450 -4.231 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.018 -3.364 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.448 -3.386 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.791 -4.368 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.130 -6.074 1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.916 -5.109 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.362 -5.324 3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.547 -6.323 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.340 -7.723 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.919 -7.889 2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.913 -6.953 4.169 1.00 0.00 H new ATOM 509 N ASP A 32 -6.506 -1.989 -0.547 1.00 0.00 N ATOM 510 CA ASP A 32 -7.756 -1.941 -1.296 1.00 0.00 C ATOM 511 C ASP A 32 -7.652 -0.967 -2.465 1.00 0.00 C ATOM 512 O ASP A 32 -8.096 -1.261 -3.574 1.00 0.00 O ATOM 513 CB ASP A 32 -8.916 -1.546 -0.379 1.00 0.00 C ATOM 514 CG ASP A 32 -10.287 -1.597 -1.041 1.00 0.00 C ATOM 515 OD1 ASP A 32 -10.685 -2.660 -1.457 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.988 -0.615 -0.986 1.00 0.00 O ATOM 0 H ASP A 32 -6.598 -1.759 0.442 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.949 -2.937 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.920 -2.207 0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.742 -0.536 -0.008 1.00 0.00 H new ATOM 521 N LYS A 33 -7.064 0.196 -2.207 1.00 0.00 N ATOM 522 CA LYS A 33 -6.881 1.207 -3.243 1.00 0.00 C ATOM 523 C LYS A 33 -5.975 0.688 -4.355 1.00 0.00 C ATOM 524 O LYS A 33 -6.235 0.919 -5.537 1.00 0.00 O ATOM 525 CB LYS A 33 -6.303 2.490 -2.645 1.00 0.00 C ATOM 526 CG LYS A 33 -7.263 3.252 -1.743 1.00 0.00 C ATOM 527 CD LYS A 33 -8.441 3.808 -2.530 1.00 0.00 C ATOM 528 CE LYS A 33 -9.362 4.632 -1.642 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.540 5.147 -2.391 1.00 0.00 N ATOM 0 H LYS A 33 -6.706 0.462 -1.290 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.858 1.431 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.409 2.239 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.989 3.146 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.628 2.591 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.733 4.069 -1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.074 4.426 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.002 2.987 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.702 4.021 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.806 5.469 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.142 5.703 -1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.217 5.751 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.085 4.348 -2.773 1.00 0.00 H new ATOM 543 N ILE A 34 -4.914 -0.013 -3.969 1.00 0.00 N ATOM 544 CA ILE A 34 -4.026 -0.646 -4.936 1.00 0.00 C ATOM 545 C ILE A 34 -4.774 -1.677 -5.775 1.00 0.00 C ATOM 546 O ILE A 34 -4.568 -1.777 -6.985 1.00 0.00 O ATOM 547 CB ILE A 34 -2.832 -1.328 -4.244 1.00 0.00 C ATOM 548 CG1 ILE A 34 -1.930 -0.281 -3.584 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.044 -2.162 -5.242 1.00 0.00 C ATOM 550 CD1 ILE A 34 -0.925 -0.865 -2.616 1.00 0.00 C ATOM 0 H ILE A 34 -4.649 -0.157 -2.995 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.652 0.145 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.213 -1.993 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.397 0.267 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.553 0.441 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.204 -2.637 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.692 -2.929 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.671 -1.519 -6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.323 -0.063 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.451 -1.389 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.276 -1.565 -3.143 1.00 0.00 H new ATOM 562 N HIS A 35 -5.644 -2.442 -5.125 1.00 0.00 N ATOM 563 CA HIS A 35 -6.424 -3.466 -5.811 1.00 0.00 C ATOM 564 C HIS A 35 -7.408 -2.833 -6.791 1.00 0.00 C ATOM 565 O HIS A 35 -7.656 -3.372 -7.871 1.00 0.00 O ATOM 566 CB HIS A 35 -7.176 -4.343 -4.805 1.00 0.00 C ATOM 567 CG HIS A 35 -8.083 -5.349 -5.442 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.614 -6.384 -6.224 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.431 -5.478 -5.415 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.635 -7.107 -6.649 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.747 -6.578 -6.173 1.00 0.00 N ATOM 0 H HIS A 35 -5.827 -2.373 -4.124 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.731 -4.094 -6.370 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.452 -4.865 -4.179 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.763 -3.703 -4.147 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.633 -6.563 -6.440 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.127 -4.836 -4.895 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.571 -7.982 -7.279 1.00 0.00 H new ATOM 578 N ILE A 36 -7.966 -1.689 -6.408 1.00 0.00 N ATOM 579 CA ILE A 36 -8.909 -0.977 -7.260 1.00 0.00 C ATOM 580 C ILE A 36 -8.233 -0.481 -8.534 1.00 0.00 C ATOM 581 O ILE A 36 -8.787 -0.590 -9.627 1.00 0.00 O ATOM 582 CB ILE A 36 -9.542 0.218 -6.524 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.476 -0.271 -5.415 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.292 1.108 -7.503 1.00 0.00 C ATOM 585 CD1 ILE A 36 -10.898 0.812 -4.449 1.00 0.00 C ATOM 0 H ILE A 36 -7.781 -1.236 -5.513 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.695 -1.685 -7.523 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.745 0.805 -6.067 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.366 -0.707 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.979 -1.067 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.733 1.948 -6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.600 1.483 -8.258 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.081 0.532 -7.988 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.558 0.388 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.016 1.232 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.424 1.598 -4.991 1.00 0.00 H new ATOM 597 N VAL A 37 -7.029 0.064 -8.385 1.00 0.00 N ATOM 598 CA VAL A 37 -6.286 0.600 -9.520 1.00 0.00 C ATOM 599 C VAL A 37 -5.746 -0.519 -10.402 1.00 0.00 C ATOM 600 O VAL A 37 -5.764 -0.420 -11.627 1.00 0.00 O ATOM 601 CB VAL A 37 -5.114 1.485 -9.056 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.249 1.889 -10.240 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.632 2.712 -8.320 1.00 0.00 C ATOM 0 H VAL A 37 -6.548 0.146 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.984 1.207 -10.096 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.497 0.909 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.426 2.514 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.849 0.996 -10.720 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.851 2.447 -10.957 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.791 3.326 -7.999 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.272 3.292 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.205 2.398 -7.448 1.00 0.00 H new ATOM 613 N GLU A 38 -5.266 -1.585 -9.768 1.00 0.00 N ATOM 614 CA GLU A 38 -4.630 -2.680 -10.489 1.00 0.00 C ATOM 615 C GLU A 38 -5.634 -3.788 -10.795 1.00 0.00 C ATOM 616 O GLU A 38 -6.809 -3.688 -10.443 1.00 0.00 O ATOM 617 CB GLU A 38 -3.454 -3.239 -9.687 1.00 0.00 C ATOM 618 CG GLU A 38 -2.307 -2.259 -9.486 1.00 0.00 C ATOM 619 CD GLU A 38 -1.720 -1.827 -10.801 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.291 -2.675 -11.545 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.802 -0.662 -11.111 1.00 0.00 O ATOM 0 H GLU A 38 -5.306 -1.713 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.255 -2.287 -11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.816 -3.561 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.073 -4.126 -10.194 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.664 -1.386 -8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.533 -2.723 -8.875 1.00 0.00 H new ATOM 628 N ASN A 39 -5.162 -4.843 -11.451 1.00 0.00 N ATOM 629 CA ASN A 39 -6.021 -5.964 -11.812 1.00 0.00 C ATOM 630 C ASN A 39 -5.582 -7.238 -11.095 1.00 0.00 C ATOM 631 O ASN A 39 -5.901 -8.348 -11.524 1.00 0.00 O ATOM 632 CB ASN A 39 -6.047 -6.186 -13.312 1.00 0.00 C ATOM 633 CG ASN A 39 -6.673 -5.056 -14.081 1.00 0.00 C ATOM 634 OD1 ASN A 39 -7.581 -4.374 -13.591 1.00 0.00 O ATOM 635 ND2 ASN A 39 -6.251 -4.906 -15.310 1.00 0.00 N ATOM 0 H ASN A 39 -4.190 -4.945 -11.743 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.033 -5.715 -11.492 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.027 -6.333 -13.666 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.594 -7.105 -13.525 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.675 -4.200 -15.912 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.498 -5.495 -15.666 1.00 0.00 H new ATOM 642 N THR A 40 -4.848 -7.071 -9.999 1.00 0.00 N ATOM 643 CA THR A 40 -4.303 -8.205 -9.262 1.00 0.00 C ATOM 644 C THR A 40 -4.989 -8.362 -7.910 1.00 0.00 C ATOM 645 O THR A 40 -5.104 -7.415 -7.133 1.00 0.00 O ATOM 646 CB THR A 40 -2.786 -8.061 -9.046 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.120 -8.023 -10.315 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.251 -9.229 -8.232 1.00 0.00 C ATOM 0 H THR A 40 -4.617 -6.160 -9.602 1.00 0.00 H new ATOM 0 HA THR A 40 -4.490 -9.093 -9.865 1.00 0.00 H new ATOM 0 HB THR A 40 -2.598 -7.135 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.114 -8.921 -10.708 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.177 -9.111 -8.089 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.746 -9.253 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.446 -10.161 -8.762 1.00 0.00 H new ATOM 656 N PRO A 41 -5.454 -9.585 -7.619 1.00 0.00 N ATOM 657 CA PRO A 41 -6.100 -9.905 -6.344 1.00 0.00 C ATOM 658 C PRO A 41 -5.242 -9.512 -5.144 1.00 0.00 C ATOM 659 O PRO A 41 -4.018 -9.640 -5.178 1.00 0.00 O ATOM 660 CB PRO A 41 -6.322 -11.419 -6.411 1.00 0.00 C ATOM 661 CG PRO A 41 -6.410 -11.716 -7.869 1.00 0.00 C ATOM 662 CD PRO A 41 -5.436 -10.777 -8.528 1.00 0.00 C ATOM 0 HA PRO A 41 -7.028 -9.351 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.501 -11.962 -5.944 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.234 -11.710 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.154 -12.755 -8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.422 -11.558 -8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.440 -11.214 -8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.746 -10.518 -9.540 1.00 0.00 H new ATOM 670 N ILE A 42 -5.892 -9.036 -4.089 1.00 0.00 N ATOM 671 CA ILE A 42 -5.188 -8.615 -2.885 1.00 0.00 C ATOM 672 C ILE A 42 -4.374 -9.763 -2.294 1.00 0.00 C ATOM 673 O ILE A 42 -3.273 -9.561 -1.786 1.00 0.00 O ATOM 674 CB ILE A 42 -6.162 -8.083 -1.817 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.770 -6.752 -2.265 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.453 -7.926 -0.481 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.922 -6.287 -1.403 1.00 0.00 C ATOM 0 H ILE A 42 -6.906 -8.932 -4.043 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.514 -7.810 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.969 -8.805 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.993 -5.988 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.115 -6.849 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.156 -7.549 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.067 -8.893 -0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.627 -7.223 -0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.300 -5.338 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.718 -7.031 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.579 -6.157 -0.377 1.00 0.00 H new ATOM 689 N LYS A 43 -4.927 -10.969 -2.365 1.00 0.00 N ATOM 690 CA LYS A 43 -4.277 -12.143 -1.796 1.00 0.00 C ATOM 691 C LYS A 43 -2.977 -12.457 -2.530 1.00 0.00 C ATOM 692 O LYS A 43 -2.094 -13.124 -1.992 1.00 0.00 O ATOM 693 CB LYS A 43 -5.213 -13.351 -1.841 1.00 0.00 C ATOM 694 CG LYS A 43 -6.415 -13.251 -0.911 1.00 0.00 C ATOM 695 CD LYS A 43 -7.309 -14.476 -1.028 1.00 0.00 C ATOM 696 CE LYS A 43 -8.493 -14.392 -0.076 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.389 -15.574 -0.195 1.00 0.00 N ATOM 0 H LYS A 43 -5.824 -11.159 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.039 -11.923 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.569 -13.481 -2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.645 -14.245 -1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.073 -13.145 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.989 -12.356 -1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.670 -14.569 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.729 -15.373 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.129 -14.314 0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.061 -13.485 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.182 -15.477 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.757 -15.634 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.855 -16.438 0.027 1.00 0.00 H new ATOM 711 N ARG A 44 -2.866 -11.968 -3.761 1.00 0.00 N ATOM 712 CA ARG A 44 -1.694 -12.233 -4.585 1.00 0.00 C ATOM 713 C ARG A 44 -0.733 -11.048 -4.561 1.00 0.00 C ATOM 714 O ARG A 44 0.485 -11.224 -4.585 1.00 0.00 O ATOM 715 CB ARG A 44 -2.067 -12.623 -6.008 1.00 0.00 C ATOM 716 CG ARG A 44 -2.932 -13.869 -6.124 1.00 0.00 C ATOM 717 CD ARG A 44 -2.253 -15.125 -5.713 1.00 0.00 C ATOM 718 NE ARG A 44 -3.089 -16.312 -5.786 1.00 0.00 N ATOM 719 CZ ARG A 44 -2.695 -17.549 -5.423 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.471 -17.772 -4.998 1.00 0.00 N ATOM 721 NH2 ARG A 44 -3.566 -18.537 -5.528 1.00 0.00 N ATOM 0 H ARG A 44 -3.574 -11.386 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.181 -13.092 -4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.593 -11.789 -6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.151 -12.779 -6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.825 -13.736 -5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.265 -13.971 -7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.377 -15.273 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.893 -15.011 -4.690 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.040 -16.201 -6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.804 -17.003 -4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.189 -18.714 -4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.507 -18.353 -5.876 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.297 -19.484 -5.261 1.00 0.00 H new ATOM 735 N MET A 45 -1.290 -9.842 -4.516 1.00 0.00 N ATOM 736 CA MET A 45 -0.481 -8.628 -4.530 1.00 0.00 C ATOM 737 C MET A 45 0.372 -8.528 -3.270 1.00 0.00 C ATOM 738 O MET A 45 -0.120 -8.719 -2.159 1.00 0.00 O ATOM 739 CB MET A 45 -1.378 -7.398 -4.662 1.00 0.00 C ATOM 740 CG MET A 45 -0.628 -6.073 -4.693 1.00 0.00 C ATOM 741 SD MET A 45 -0.278 -5.434 -3.043 1.00 0.00 S ATOM 742 CE MET A 45 -1.905 -4.883 -2.541 1.00 0.00 C ATOM 0 H MET A 45 -2.296 -9.679 -4.470 1.00 0.00 H new ATOM 0 HA MET A 45 0.187 -8.672 -5.390 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.967 -7.489 -5.574 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.081 -7.385 -3.829 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.309 -6.203 -5.234 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.216 -5.340 -5.245 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.813 -3.985 -1.930 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.502 -4.660 -3.425 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.392 -5.668 -1.962 1.00 0.00 H new ATOM 752 N GLN A 46 1.654 -8.229 -3.454 1.00 0.00 N ATOM 753 CA GLN A 46 2.575 -8.097 -2.330 1.00 0.00 C ATOM 754 C GLN A 46 2.871 -6.630 -2.041 1.00 0.00 C ATOM 755 O GLN A 46 3.127 -5.844 -2.954 1.00 0.00 O ATOM 756 CB GLN A 46 3.882 -8.844 -2.615 1.00 0.00 C ATOM 757 CG GLN A 46 3.695 -10.302 -2.993 1.00 0.00 C ATOM 758 CD GLN A 46 3.079 -11.117 -1.872 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.621 -11.187 -0.766 1.00 0.00 O ATOM 760 NE2 GLN A 46 1.941 -11.743 -2.152 1.00 0.00 N ATOM 0 H GLN A 46 2.078 -8.074 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 46 2.099 -8.537 -1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.409 -8.336 -3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.519 -8.788 -1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.060 -10.367 -3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.660 -10.731 -3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.527 -11.658 -3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.481 -12.309 -1.439 1.00 0.00 H new ATOM 769 N LEU A 47 2.837 -6.266 -0.763 1.00 0.00 N ATOM 770 CA LEU A 47 2.907 -4.865 -0.364 1.00 0.00 C ATOM 771 C LEU A 47 4.057 -4.633 0.613 1.00 0.00 C ATOM 772 O LEU A 47 4.074 -5.192 1.710 1.00 0.00 O ATOM 773 CB LEU A 47 1.577 -4.422 0.260 1.00 0.00 C ATOM 774 CG LEU A 47 1.589 -3.030 0.903 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.916 -1.973 -0.143 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.237 -2.755 1.544 1.00 0.00 C ATOM 0 H LEU A 47 2.761 -6.922 0.014 1.00 0.00 H new ATOM 0 HA LEU A 47 3.093 -4.266 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.808 -4.441 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.288 -5.152 1.016 1.00 0.00 H new ATOM 0 HG LEU A 47 2.357 -2.993 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.922 -0.988 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.897 -2.177 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.163 -1.996 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.246 -1.766 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.542 -2.796 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.037 -3.506 2.308 1.00 0.00 H new ATOM 788 N TYR A 48 5.013 -3.805 0.208 1.00 0.00 N ATOM 789 CA TYR A 48 6.123 -3.434 1.078 1.00 0.00 C ATOM 790 C TYR A 48 6.202 -1.920 1.244 1.00 0.00 C ATOM 791 O TYR A 48 5.973 -1.167 0.297 1.00 0.00 O ATOM 792 CB TYR A 48 7.443 -3.974 0.523 1.00 0.00 C ATOM 793 CG TYR A 48 8.667 -3.460 1.247 1.00 0.00 C ATOM 794 CD1 TYR A 48 9.027 -3.966 2.487 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.463 -2.473 0.685 1.00 0.00 C ATOM 796 CE1 TYR A 48 10.144 -3.500 3.153 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.583 -1.999 1.340 1.00 0.00 C ATOM 798 CZ TYR A 48 10.920 -2.516 2.575 1.00 0.00 C ATOM 799 OH TYR A 48 12.036 -2.049 3.231 1.00 0.00 O ATOM 0 H TYR A 48 5.042 -3.378 -0.718 1.00 0.00 H new ATOM 0 HA TYR A 48 5.947 -3.878 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.431 -5.063 0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.518 -3.709 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.423 -4.738 2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.203 -2.068 -0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.408 -3.903 4.120 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.191 -1.229 0.889 1.00 0.00 H new ATOM 0 HH TYR A 48 11.892 -2.100 4.199 1.00 0.00 H new ATOM 809 N TYR A 49 6.528 -1.479 2.453 1.00 0.00 N ATOM 810 CA TYR A 49 6.715 -0.060 2.726 1.00 0.00 C ATOM 811 C TYR A 49 8.161 0.235 3.118 1.00 0.00 C ATOM 812 O TYR A 49 8.757 -0.486 3.917 1.00 0.00 O ATOM 813 CB TYR A 49 5.764 0.403 3.832 1.00 0.00 C ATOM 814 CG TYR A 49 6.146 1.728 4.454 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.198 2.885 3.691 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.448 1.818 5.804 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.547 4.097 4.254 1.00 0.00 C ATOM 818 CE2 TYR A 49 6.797 3.025 6.379 1.00 0.00 C ATOM 819 CZ TYR A 49 6.845 4.163 5.600 1.00 0.00 C ATOM 820 OH TYR A 49 7.192 5.369 6.167 1.00 0.00 O ATOM 0 H TYR A 49 6.668 -2.085 3.261 1.00 0.00 H new ATOM 0 HA TYR A 49 6.488 0.491 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.757 0.482 3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.732 -0.358 4.612 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.961 2.837 2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.410 0.930 6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.586 4.988 3.645 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.031 3.077 7.432 1.00 0.00 H new ATOM 0 HH TYR A 49 6.511 5.630 6.822 1.00 0.00 H new ATOM 830 N SER A 50 8.716 1.299 2.549 1.00 0.00 N ATOM 831 CA SER A 50 10.064 1.736 2.896 1.00 0.00 C ATOM 832 C SER A 50 10.385 1.402 4.351 1.00 0.00 C ATOM 833 O SER A 50 9.921 2.076 5.269 1.00 0.00 O ATOM 834 CB SER A 50 10.214 3.224 2.647 1.00 0.00 C ATOM 835 OG SER A 50 11.500 3.683 2.958 1.00 0.00 O ATOM 0 H SER A 50 8.254 1.875 1.846 1.00 0.00 H new ATOM 0 HA SER A 50 10.772 1.203 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.996 3.440 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.481 3.767 3.244 1.00 0.00 H new ATOM 0 HG SER A 50 11.555 4.646 2.782 1.00 0.00 H new ATOM 841 N GLY A 51 11.183 0.358 4.550 1.00 0.00 N ATOM 842 CA GLY A 51 11.585 -0.022 5.891 1.00 0.00 C ATOM 843 C GLY A 51 10.754 -1.163 6.445 1.00 0.00 C ATOM 844 O GLY A 51 11.173 -2.320 6.407 1.00 0.00 O ATOM 0 H GLY A 51 11.558 -0.231 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.636 -0.312 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.498 0.841 6.551 1.00 0.00 H new ATOM 848 N ILE A 52 9.575 -0.836 6.962 1.00 0.00 N ATOM 849 CA ILE A 52 8.706 -1.835 7.575 1.00 0.00 C ATOM 850 C ILE A 52 7.667 -2.343 6.580 1.00 0.00 C ATOM 851 O ILE A 52 6.965 -1.557 5.946 1.00 0.00 O ATOM 852 CB ILE A 52 7.987 -1.273 8.815 1.00 0.00 C ATOM 853 CG1 ILE A 52 9.005 -0.848 9.876 1.00 0.00 C ATOM 854 CG2 ILE A 52 7.022 -2.303 9.382 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.404 -0.065 11.020 1.00 0.00 C ATOM 0 H ILE A 52 9.199 0.112 6.969 1.00 0.00 H new ATOM 0 HA ILE A 52 9.344 -2.663 7.883 1.00 0.00 H new ATOM 0 HB ILE A 52 7.415 -0.395 8.516 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.493 -1.737 10.274 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.779 -0.244 9.402 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.522 -1.890 10.258 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.279 -2.559 8.627 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.573 -3.199 9.668 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.187 0.200 11.730 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.940 0.843 10.635 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.650 -0.673 11.521 1.00 0.00 H new ATOM 867 N GLU A 53 7.577 -3.664 6.452 1.00 0.00 N ATOM 868 CA GLU A 53 6.608 -4.278 5.551 1.00 0.00 C ATOM 869 C GLU A 53 5.198 -4.196 6.131 1.00 0.00 C ATOM 870 O GLU A 53 4.987 -4.449 7.317 1.00 0.00 O ATOM 871 CB GLU A 53 6.980 -5.736 5.274 1.00 0.00 C ATOM 872 CG GLU A 53 6.070 -6.441 4.279 1.00 0.00 C ATOM 873 CD GLU A 53 6.511 -7.857 4.042 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.476 -8.268 4.642 1.00 0.00 O ATOM 875 OE2 GLU A 53 5.821 -8.565 3.347 1.00 0.00 O ATOM 0 H GLU A 53 8.162 -4.328 6.960 1.00 0.00 H new ATOM 0 HA GLU A 53 6.626 -3.727 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.003 -5.772 4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.965 -6.287 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.046 -6.435 4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.069 -5.896 3.335 1.00 0.00 H new ATOM 882 N LEU A 54 4.239 -3.841 5.285 1.00 0.00 N ATOM 883 CA LEU A 54 2.863 -3.638 5.730 1.00 0.00 C ATOM 884 C LEU A 54 2.100 -4.958 5.759 1.00 0.00 C ATOM 885 O LEU A 54 1.110 -5.130 5.046 1.00 0.00 O ATOM 886 CB LEU A 54 2.152 -2.629 4.820 1.00 0.00 C ATOM 887 CG LEU A 54 2.876 -1.287 4.643 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.070 -0.377 3.727 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.085 -0.638 6.003 1.00 0.00 C ATOM 0 H LEU A 54 4.387 -3.687 4.288 1.00 0.00 H new ATOM 0 HA LEU A 54 2.888 -3.238 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.015 -3.082 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.158 -2.437 5.224 1.00 0.00 H new ATOM 0 HG LEU A 54 3.850 -1.456 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.591 0.573 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.953 -0.852 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.087 -0.199 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.599 0.315 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.119 -0.469 6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.687 -1.295 6.631 1.00 0.00 H new ATOM 901 N ALA A 55 2.564 -5.887 6.587 1.00 0.00 N ATOM 902 CA ALA A 55 2.104 -7.268 6.523 1.00 0.00 C ATOM 903 C ALA A 55 0.795 -7.447 7.283 1.00 0.00 C ATOM 904 O ALA A 55 -0.079 -8.210 6.867 1.00 0.00 O ATOM 905 CB ALA A 55 3.168 -8.207 7.074 1.00 0.00 C ATOM 0 H ALA A 55 3.259 -5.708 7.311 1.00 0.00 H new ATOM 0 HA ALA A 55 1.924 -7.515 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.810 -9.235 7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.080 -8.109 6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.377 -7.950 8.112 1.00 0.00 H new ATOM 911 N ASP A 56 0.663 -6.740 8.400 1.00 0.00 N ATOM 912 CA ASP A 56 -0.433 -6.976 9.330 1.00 0.00 C ATOM 913 C ASP A 56 -1.624 -6.078 9.006 1.00 0.00 C ATOM 914 O ASP A 56 -1.488 -4.858 8.919 1.00 0.00 O ATOM 915 CB ASP A 56 0.025 -6.744 10.772 1.00 0.00 C ATOM 916 CG ASP A 56 0.958 -7.818 11.316 1.00 0.00 C ATOM 917 OD1 ASP A 56 1.042 -8.864 10.715 1.00 0.00 O ATOM 918 OD2 ASP A 56 1.693 -7.532 12.230 1.00 0.00 O ATOM 0 H ASP A 56 1.303 -5.998 8.683 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.746 -8.015 9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.529 -5.779 10.830 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.854 -6.684 11.414 1.00 0.00 H new ATOM 923 N ASP A 57 -2.789 -6.691 8.826 1.00 0.00 N ATOM 924 CA ASP A 57 -3.984 -5.959 8.424 1.00 0.00 C ATOM 925 C ASP A 57 -4.482 -5.067 9.556 1.00 0.00 C ATOM 926 O ASP A 57 -4.965 -3.960 9.321 1.00 0.00 O ATOM 927 CB ASP A 57 -5.088 -6.928 7.990 1.00 0.00 C ATOM 928 CG ASP A 57 -4.865 -7.565 6.624 1.00 0.00 C ATOM 929 OD1 ASP A 57 -4.079 -7.044 5.869 1.00 0.00 O ATOM 930 OD2 ASP A 57 -5.359 -8.645 6.408 1.00 0.00 O ATOM 0 H ASP A 57 -2.931 -7.693 8.952 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.722 -5.325 7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.175 -7.718 8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.039 -6.395 7.978 1.00 0.00 H new ATOM 935 N TYR A 58 -4.362 -5.558 10.784 1.00 0.00 N ATOM 936 CA TYR A 58 -4.984 -4.906 11.932 1.00 0.00 C ATOM 937 C TYR A 58 -4.170 -3.696 12.377 1.00 0.00 C ATOM 938 O TYR A 58 -4.634 -2.881 13.174 1.00 0.00 O ATOM 939 CB TYR A 58 -5.138 -5.893 13.092 1.00 0.00 C ATOM 940 CG TYR A 58 -3.840 -6.221 13.794 1.00 0.00 C ATOM 941 CD1 TYR A 58 -3.032 -7.256 13.347 1.00 0.00 C ATOM 942 CD2 TYR A 58 -3.426 -5.498 14.902 1.00 0.00 C ATOM 943 CE1 TYR A 58 -1.845 -7.561 13.984 1.00 0.00 C ATOM 944 CE2 TYR A 58 -2.240 -5.793 15.547 1.00 0.00 C ATOM 945 CZ TYR A 58 -1.451 -6.827 15.084 1.00 0.00 C ATOM 946 OH TYR A 58 -0.271 -7.127 15.723 1.00 0.00 O ATOM 0 H TYR A 58 -3.840 -6.405 11.011 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.973 -4.563 11.629 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.838 -5.479 13.818 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.579 -6.816 12.715 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.336 -7.833 12.486 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.042 -4.689 15.268 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.228 -8.370 13.623 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.932 -5.218 16.408 1.00 0.00 H new ATOM 0 HH TYR A 58 0.366 -7.497 15.077 1.00 0.00 H new ATOM 956 N ARG A 59 -2.953 -3.585 11.856 1.00 0.00 N ATOM 957 CA ARG A 59 -2.079 -2.465 12.185 1.00 0.00 C ATOM 958 C ARG A 59 -2.456 -1.227 11.378 1.00 0.00 C ATOM 959 O ARG A 59 -2.780 -1.319 10.196 1.00 0.00 O ATOM 960 CB ARG A 59 -0.607 -2.815 12.020 1.00 0.00 C ATOM 961 CG ARG A 59 -0.080 -3.842 13.009 1.00 0.00 C ATOM 962 CD ARG A 59 0.240 -3.293 14.351 1.00 0.00 C ATOM 963 NE ARG A 59 0.610 -4.293 15.339 1.00 0.00 N ATOM 964 CZ ARG A 59 1.021 -4.016 16.591 1.00 0.00 C ATOM 965 NH1 ARG A 59 1.153 -2.774 17.002 1.00 0.00 N ATOM 966 NH2 ARG A 59 1.313 -5.028 17.391 1.00 0.00 N ATOM 0 H ARG A 59 -2.549 -4.257 11.204 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.227 -2.237 13.241 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.449 -3.191 11.009 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.018 -1.903 12.117 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.820 -4.634 13.121 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.817 -4.301 12.594 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.057 -2.579 14.252 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.624 -2.740 14.719 1.00 0.00 H new ATOM 0 HE ARG A 59 0.554 -5.274 15.064 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.943 -2.002 16.369 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.465 -2.582 17.954 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.224 -5.987 17.054 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.627 -4.850 18.345 1.00 0.00 H new ATOM 980 N ASN A 60 -2.412 -0.067 12.028 1.00 0.00 N ATOM 981 CA ASN A 60 -2.822 1.181 11.394 1.00 0.00 C ATOM 982 C ASN A 60 -1.692 1.758 10.547 1.00 0.00 C ATOM 983 O ASN A 60 -0.518 1.459 10.771 1.00 0.00 O ATOM 984 CB ASN A 60 -3.286 2.199 12.419 1.00 0.00 C ATOM 985 CG ASN A 60 -4.571 1.826 13.106 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.621 1.690 12.469 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.508 1.738 14.410 1.00 0.00 N ATOM 0 H ASN A 60 -2.097 0.034 12.993 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.664 0.953 10.741 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.507 2.325 13.170 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.414 3.163 11.927 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.353 1.549 14.950 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.614 1.859 14.887 1.00 0.00 H new ATOM 994 N LEU A 61 -2.055 2.587 9.573 1.00 0.00 N ATOM 995 CA LEU A 61 -1.067 3.282 8.756 1.00 0.00 C ATOM 996 C LEU A 61 -0.146 4.136 9.620 1.00 0.00 C ATOM 997 O LEU A 61 1.064 4.176 9.403 1.00 0.00 O ATOM 998 CB LEU A 61 -1.768 4.149 7.700 1.00 0.00 C ATOM 999 CG LEU A 61 -2.467 3.373 6.578 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.341 4.314 5.759 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.423 2.703 5.696 1.00 0.00 C ATOM 0 H LEU A 61 -3.024 2.793 9.331 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.456 2.535 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.506 4.777 8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.031 4.817 7.254 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.106 2.604 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.834 3.754 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.094 4.766 6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.722 5.097 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.920 2.151 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.773 3.462 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.827 2.015 6.296 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.728 4.815 10.605 1.00 0.00 N ATOM 1014 CA ASN A 62 0.046 5.635 11.528 1.00 0.00 C ATOM 1015 C ASN A 62 1.042 4.782 12.310 1.00 0.00 C ATOM 1016 O ASN A 62 2.172 5.203 12.558 1.00 0.00 O ATOM 1017 CB ASN A 62 -0.855 6.400 12.481 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.109 7.295 13.432 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.591 8.227 13.020 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.190 6.966 14.696 1.00 0.00 N ATOM 0 H ASN A 62 -1.732 4.813 10.783 1.00 0.00 H new ATOM 0 HA ASN A 62 0.601 6.360 10.933 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.554 7.003 11.901 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.449 5.689 13.055 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.340 7.488 15.394 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.783 6.188 14.983 1.00 0.00 H new ATOM 1027 N GLU A 63 0.613 3.585 12.692 1.00 0.00 N ATOM 1028 CA GLU A 63 1.449 2.694 13.490 1.00 0.00 C ATOM 1029 C GLU A 63 2.668 2.234 12.694 1.00 0.00 C ATOM 1030 O GLU A 63 3.723 1.951 13.260 1.00 0.00 O ATOM 1031 CB GLU A 63 0.643 1.485 13.968 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.347 1.790 15.083 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.224 0.605 15.374 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.203 -0.329 14.608 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -1.830 0.582 16.420 1.00 0.00 O ATOM 0 H GLU A 63 -0.307 3.209 12.463 1.00 0.00 H new ATOM 0 HA GLU A 63 1.797 3.249 14.361 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.099 1.068 13.120 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.334 0.716 14.313 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.194 2.075 15.985 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.965 2.642 14.800 1.00 0.00 H new ATOM 1042 N TYR A 64 2.512 2.163 11.376 1.00 0.00 N ATOM 1043 CA TYR A 64 3.602 1.744 10.500 1.00 0.00 C ATOM 1044 C TYR A 64 4.561 2.900 10.235 1.00 0.00 C ATOM 1045 O TYR A 64 5.699 2.693 9.816 1.00 0.00 O ATOM 1046 CB TYR A 64 3.051 1.202 9.180 1.00 0.00 C ATOM 1047 CG TYR A 64 2.609 -0.243 9.246 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.533 -1.261 9.434 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.270 -0.586 9.120 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.135 -2.582 9.496 1.00 0.00 C ATOM 1051 CE2 TYR A 64 0.861 -1.904 9.182 1.00 0.00 C ATOM 1052 CZ TYR A 64 1.798 -2.900 9.369 1.00 0.00 C ATOM 1053 OH TYR A 64 1.397 -4.215 9.429 1.00 0.00 O ATOM 0 H TYR A 64 1.644 2.389 10.891 1.00 0.00 H new ATOM 0 HA TYR A 64 4.153 0.949 11.003 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.205 1.816 8.871 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.816 1.303 8.410 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.580 -1.016 9.533 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.535 0.191 8.971 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.867 -3.363 9.643 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.185 -2.153 9.085 1.00 0.00 H new ATOM 0 HH TYR A 64 0.431 -4.270 9.275 1.00 0.00 H new ATOM 1063 N GLY A 65 4.091 4.119 10.481 1.00 0.00 N ATOM 1064 CA GLY A 65 4.866 5.297 10.134 1.00 0.00 C ATOM 1065 C GLY A 65 4.543 5.816 8.747 1.00 0.00 C ATOM 1066 O GLY A 65 5.384 6.439 8.101 1.00 0.00 O ATOM 0 H GLY A 65 3.188 4.312 10.914 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.675 6.082 10.866 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.928 5.059 10.191 1.00 0.00 H new ATOM 1070 N ILE A 66 3.322 5.559 8.291 1.00 0.00 N ATOM 1071 CA ILE A 66 2.891 6.006 6.972 1.00 0.00 C ATOM 1072 C ILE A 66 2.507 7.481 6.989 1.00 0.00 C ATOM 1073 O ILE A 66 1.563 7.881 7.670 1.00 0.00 O ATOM 1074 CB ILE A 66 1.698 5.179 6.457 1.00 0.00 C ATOM 1075 CG1 ILE A 66 2.063 3.694 6.397 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.256 5.677 5.089 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.119 3.365 5.367 1.00 0.00 C ATOM 0 H ILE A 66 2.614 5.044 8.815 1.00 0.00 H new ATOM 0 HA ILE A 66 3.736 5.862 6.299 1.00 0.00 H new ATOM 0 HB ILE A 66 0.867 5.301 7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.415 3.376 7.378 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.164 3.117 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.412 5.082 4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.957 6.723 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.082 5.584 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.324 2.295 5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.763 3.650 4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.033 3.913 5.595 1.00 0.00 H new ATOM 1089 N THR A 67 3.245 8.287 6.231 1.00 0.00 N ATOM 1090 CA THR A 67 3.051 9.731 6.238 1.00 0.00 C ATOM 1091 C THR A 67 2.457 10.213 4.919 1.00 0.00 C ATOM 1092 O THR A 67 2.192 9.416 4.021 1.00 0.00 O ATOM 1093 CB THR A 67 4.373 10.478 6.499 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.244 10.319 5.372 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.055 9.935 7.745 1.00 0.00 C ATOM 0 H THR A 67 3.982 7.963 5.605 1.00 0.00 H new ATOM 0 HA THR A 67 2.355 9.951 7.048 1.00 0.00 H new ATOM 0 HB THR A 67 4.153 11.535 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.084 10.796 5.538 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.987 10.474 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.399 10.066 8.605 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.269 8.875 7.610 1.00 0.00 H new ATOM 1103 N GLU A 68 2.254 11.522 4.809 1.00 0.00 N ATOM 1104 CA GLU A 68 1.777 12.118 3.567 1.00 0.00 C ATOM 1105 C GLU A 68 2.737 11.826 2.418 1.00 0.00 C ATOM 1106 O GLU A 68 2.349 11.842 1.250 1.00 0.00 O ATOM 1107 CB GLU A 68 1.594 13.629 3.732 1.00 0.00 C ATOM 1108 CG GLU A 68 0.984 14.324 2.523 1.00 0.00 C ATOM 1109 CD GLU A 68 0.739 15.782 2.797 1.00 0.00 C ATOM 1110 OE1 GLU A 68 1.083 16.232 3.863 1.00 0.00 O ATOM 1111 OE2 GLU A 68 0.312 16.471 1.901 1.00 0.00 O ATOM 0 H GLU A 68 2.412 12.189 5.564 1.00 0.00 H new ATOM 0 HA GLU A 68 0.811 11.672 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.961 13.813 4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.564 14.079 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.650 14.220 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.045 13.839 2.257 1.00 0.00 H new ATOM 1118 N PHE A 69 3.994 11.558 2.759 1.00 0.00 N ATOM 1119 CA PHE A 69 5.033 11.366 1.755 1.00 0.00 C ATOM 1120 C PHE A 69 5.450 9.901 1.675 1.00 0.00 C ATOM 1121 O PHE A 69 6.503 9.572 1.128 1.00 0.00 O ATOM 1122 CB PHE A 69 6.248 12.243 2.066 1.00 0.00 C ATOM 1123 CG PHE A 69 5.936 13.713 2.113 1.00 0.00 C ATOM 1124 CD1 PHE A 69 5.821 14.450 0.945 1.00 0.00 C ATOM 1125 CD2 PHE A 69 5.758 14.359 3.328 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.536 15.801 0.987 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.472 15.711 3.372 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.362 16.432 2.203 1.00 0.00 C ATOM 0 H PHE A 69 4.317 11.469 3.723 1.00 0.00 H new ATOM 0 HA PHE A 69 4.625 11.660 0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.669 11.939 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.015 12.067 1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.956 13.962 -0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.844 13.800 4.248 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.449 16.364 0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.335 16.203 4.324 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.140 17.488 2.238 1.00 0.00 H new ATOM 1138 N SER A 70 4.615 9.023 2.225 1.00 0.00 N ATOM 1139 CA SER A 70 4.926 7.601 2.276 1.00 0.00 C ATOM 1140 C SER A 70 5.208 7.055 0.878 1.00 0.00 C ATOM 1141 O SER A 70 4.487 7.354 -0.072 1.00 0.00 O ATOM 1142 CB SER A 70 3.786 6.839 2.924 1.00 0.00 C ATOM 1143 OG SER A 70 3.995 5.453 2.896 1.00 0.00 O ATOM 0 H SER A 70 3.718 9.273 2.641 1.00 0.00 H new ATOM 0 HA SER A 70 5.825 7.467 2.878 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.672 7.167 3.957 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.854 7.075 2.410 1.00 0.00 H new ATOM 0 HG SER A 70 4.795 5.232 3.417 1.00 0.00 H new ATOM 1149 N GLU A 71 6.263 6.254 0.765 1.00 0.00 N ATOM 1150 CA GLU A 71 6.574 5.577 -0.488 1.00 0.00 C ATOM 1151 C GLU A 71 6.580 4.062 -0.301 1.00 0.00 C ATOM 1152 O GLU A 71 7.391 3.522 0.452 1.00 0.00 O ATOM 1153 CB GLU A 71 7.925 6.047 -1.033 1.00 0.00 C ATOM 1154 CG GLU A 71 7.955 7.507 -1.463 1.00 0.00 C ATOM 1155 CD GLU A 71 9.302 7.886 -2.012 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.149 7.030 -2.100 1.00 0.00 O ATOM 1157 OE2 GLU A 71 9.449 9.003 -2.449 1.00 0.00 O ATOM 0 H GLU A 71 6.915 6.059 1.524 1.00 0.00 H new ATOM 0 HA GLU A 71 5.798 5.832 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.686 5.890 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.196 5.424 -1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.189 7.682 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.714 8.144 -0.612 1.00 0.00 H new ATOM 1164 N ILE A 72 5.670 3.382 -0.990 1.00 0.00 N ATOM 1165 CA ILE A 72 5.537 1.937 -0.862 1.00 0.00 C ATOM 1166 C ILE A 72 5.847 1.237 -2.180 1.00 0.00 C ATOM 1167 O ILE A 72 5.517 1.739 -3.255 1.00 0.00 O ATOM 1168 CB ILE A 72 4.123 1.539 -0.398 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.077 2.013 -1.409 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.835 2.112 0.981 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.689 1.474 -1.149 1.00 0.00 C ATOM 0 H ILE A 72 5.013 3.810 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 72 6.258 1.620 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 72 4.071 0.452 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.042 3.102 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.391 1.715 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.832 1.821 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.563 1.727 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.903 3.199 0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.003 1.854 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.708 0.385 -1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.353 1.794 -0.163 1.00 0.00 H new ATOM 1183 N VAL A 73 6.482 0.073 -2.090 1.00 0.00 N ATOM 1184 CA VAL A 73 6.806 -0.715 -3.274 1.00 0.00 C ATOM 1185 C VAL A 73 5.924 -1.954 -3.368 1.00 0.00 C ATOM 1186 O VAL A 73 5.839 -2.743 -2.427 1.00 0.00 O ATOM 1187 CB VAL A 73 8.284 -1.147 -3.278 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.588 -1.991 -4.507 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.196 0.071 -3.232 1.00 0.00 C ATOM 0 H VAL A 73 6.782 -0.346 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 73 6.622 -0.076 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 73 8.469 -1.750 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.637 -2.288 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.959 -2.881 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.387 -1.409 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.237 -0.253 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.009 0.699 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.997 0.641 -2.324 1.00 0.00 H new ATOM 1199 N VAL A 74 5.265 -2.119 -4.512 1.00 0.00 N ATOM 1200 CA VAL A 74 4.217 -3.124 -4.652 1.00 0.00 C ATOM 1201 C VAL A 74 4.516 -4.071 -5.810 1.00 0.00 C ATOM 1202 O VAL A 74 4.897 -3.638 -6.897 1.00 0.00 O ATOM 1203 CB VAL A 74 2.839 -2.476 -4.875 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.754 -3.540 -4.945 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.534 -1.480 -3.766 1.00 0.00 C ATOM 0 H VAL A 74 5.438 -1.570 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 74 4.195 -3.688 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 74 2.860 -1.942 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.787 -3.063 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.963 -4.219 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.734 -4.101 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.556 -1.031 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.532 -1.995 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.295 -0.700 -3.758 1.00 0.00 H new ATOM 1215 N PHE A 75 4.339 -5.365 -5.568 1.00 0.00 N ATOM 1216 CA PHE A 75 4.609 -6.376 -6.584 1.00 0.00 C ATOM 1217 C PHE A 75 3.335 -7.132 -6.951 1.00 0.00 C ATOM 1218 O PHE A 75 2.505 -7.426 -6.090 1.00 0.00 O ATOM 1219 CB PHE A 75 5.681 -7.353 -6.096 1.00 0.00 C ATOM 1220 CG PHE A 75 7.004 -6.703 -5.806 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.930 -6.498 -6.817 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.326 -6.297 -4.519 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.147 -5.901 -6.551 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.543 -5.699 -4.250 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.454 -5.501 -5.267 1.00 0.00 C ATOM 0 H PHE A 75 4.010 -5.739 -4.678 1.00 0.00 H new ATOM 0 HA PHE A 75 4.977 -5.869 -7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.324 -7.849 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.824 -8.127 -6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.697 -6.809 -7.825 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.618 -6.450 -3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.859 -5.747 -7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.781 -5.387 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.405 -5.034 -5.058 1.00 0.00 H new ATOM 1235 N LEU A 76 3.189 -7.445 -8.233 1.00 0.00 N ATOM 1236 CA LEU A 76 1.995 -8.126 -8.722 1.00 0.00 C ATOM 1237 C LEU A 76 2.269 -9.608 -8.952 1.00 0.00 C ATOM 1238 O LEU A 76 3.292 -9.979 -9.530 1.00 0.00 O ATOM 1239 CB LEU A 76 1.498 -7.466 -10.015 1.00 0.00 C ATOM 1240 CG LEU A 76 1.151 -5.976 -9.895 1.00 0.00 C ATOM 1241 CD1 LEU A 76 0.762 -5.420 -11.259 1.00 0.00 C ATOM 1242 CD2 LEU A 76 0.017 -5.797 -8.896 1.00 0.00 C ATOM 0 H LEU A 76 3.882 -7.239 -8.953 1.00 0.00 H new ATOM 0 HA LEU A 76 1.218 -8.039 -7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.263 -7.584 -10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.614 -8.002 -10.361 1.00 0.00 H new ATOM 0 HG LEU A 76 2.022 -5.427 -9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.517 -4.362 -11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.595 -5.539 -11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.105 -5.960 -11.638 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.229 -4.739 -8.811 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.860 -6.347 -9.238 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.326 -6.177 -7.922 1.00 0.00 H new ATOM 1254 N LYS A 77 1.349 -10.453 -8.500 1.00 0.00 N ATOM 1255 CA LYS A 77 1.468 -11.893 -8.696 1.00 0.00 C ATOM 1256 C LYS A 77 0.230 -12.452 -9.389 1.00 0.00 C ATOM 1257 O LYS A 77 -0.564 -13.169 -8.778 1.00 0.00 O ATOM 1258 CB LYS A 77 1.690 -12.600 -7.358 1.00 0.00 C ATOM 1259 CG LYS A 77 2.975 -12.204 -6.644 1.00 0.00 C ATOM 1260 CD LYS A 77 4.201 -12.558 -7.472 1.00 0.00 C ATOM 1261 CE LYS A 77 5.486 -12.194 -6.744 1.00 0.00 C ATOM 1262 NZ LYS A 77 6.693 -12.486 -7.565 1.00 0.00 N ATOM 0 H LYS A 77 0.511 -10.165 -7.995 1.00 0.00 H new ATOM 0 HA LYS A 77 2.331 -12.076 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.845 -12.387 -6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.699 -13.677 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.966 -11.133 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.027 -12.709 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.196 -13.625 -7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.161 -12.034 -8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.470 -11.135 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.542 -12.748 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.547 -12.224 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.723 -13.501 -7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.653 -11.938 -8.448 1.00 0.00 H new ATOM 1276 N SER A 78 0.070 -12.120 -10.667 1.00 0.00 N ATOM 1277 CA SER A 78 -1.022 -12.660 -11.466 1.00 0.00 C ATOM 1278 C SER A 78 -0.754 -12.467 -12.956 1.00 0.00 C ATOM 1279 O SER A 78 0.086 -11.654 -13.345 1.00 0.00 O ATOM 1280 CB SER A 78 -2.332 -12.002 -11.074 1.00 0.00 C ATOM 1281 OG SER A 78 -2.385 -10.659 -11.468 1.00 0.00 O ATOM 0 H SER A 78 0.684 -11.479 -11.170 1.00 0.00 H new ATOM 0 HA SER A 78 -1.093 -13.730 -11.271 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.160 -12.546 -11.528 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.461 -12.068 -9.994 1.00 0.00 H new ATOM 0 HG SER A 78 -3.278 -10.299 -11.285 1.00 0.00 H new ATOM 1287 N ILE A 79 -1.469 -13.222 -13.782 1.00 0.00 N ATOM 1288 CA ILE A 79 -1.384 -13.062 -15.228 1.00 0.00 C ATOM 1289 C ILE A 79 -2.712 -12.588 -15.808 1.00 0.00 C ATOM 1290 O ILE A 79 -2.756 -11.641 -16.591 1.00 0.00 O ATOM 1291 CB ILE A 79 -0.971 -14.375 -15.918 1.00 0.00 C ATOM 1292 CG1 ILE A 79 0.417 -14.813 -15.443 1.00 0.00 C ATOM 1293 CG2 ILE A 79 -0.991 -14.211 -17.429 1.00 0.00 C ATOM 1294 CD1 ILE A 79 0.820 -16.190 -15.921 1.00 0.00 C ATOM 0 H ILE A 79 -2.114 -13.950 -13.475 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.620 -12.308 -15.417 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.689 -15.149 -15.647 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.154 -14.089 -15.789 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.440 -14.796 -14.353 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.696 -15.148 -17.901 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.997 -13.942 -17.753 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.294 -13.424 -17.719 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.814 -16.429 -15.544 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.105 -16.926 -15.553 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.831 -16.208 -17.011 1.00 0.00 H new ATOM 1306 N ASN A 80 -3.793 -13.254 -15.416 1.00 0.00 N ATOM 1307 CA ASN A 80 -5.125 -12.899 -15.892 1.00 0.00 C ATOM 1308 C ASN A 80 -5.570 -11.559 -15.311 1.00 0.00 C ATOM 1309 O ASN A 80 -5.147 -11.172 -14.221 1.00 0.00 O ATOM 1310 CB ASN A 80 -6.140 -13.978 -15.567 1.00 0.00 C ATOM 1311 CG ASN A 80 -5.974 -15.231 -16.382 1.00 0.00 C ATOM 1312 OD1 ASN A 80 -5.364 -15.220 -17.457 1.00 0.00 O ATOM 1313 ND2 ASN A 80 -6.581 -16.293 -15.916 1.00 0.00 N ATOM 0 H ASN A 80 -3.773 -14.043 -14.770 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.069 -12.808 -16.977 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.062 -14.230 -14.509 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.142 -13.581 -15.727 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.564 -17.164 -16.446 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.071 -16.249 -15.022 1.00 0.00 H new ATOM 1320 N ARG A 81 -6.428 -10.858 -16.044 1.00 0.00 N ATOM 1321 CA ARG A 81 -6.906 -9.548 -15.618 1.00 0.00 C ATOM 1322 C ARG A 81 -8.371 -9.614 -15.197 1.00 0.00 C ATOM 1323 O ARG A 81 -9.110 -10.500 -15.625 1.00 0.00 O ATOM 1324 CB ARG A 81 -6.676 -8.478 -16.674 1.00 0.00 C ATOM 1325 CG ARG A 81 -5.215 -8.206 -17.000 1.00 0.00 C ATOM 1326 CD ARG A 81 -5.004 -7.181 -18.053 1.00 0.00 C ATOM 1327 NE ARG A 81 -3.608 -6.923 -18.374 1.00 0.00 N ATOM 1328 CZ ARG A 81 -3.186 -6.213 -19.438 1.00 0.00 C ATOM 1329 NH1 ARG A 81 -4.041 -5.719 -20.306 1.00 0.00 N ATOM 1330 NH2 ARG A 81 -1.885 -6.045 -19.600 1.00 0.00 N ATOM 0 H ARG A 81 -6.807 -11.175 -16.936 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.317 -9.257 -14.748 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.189 -8.775 -17.589 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.137 -7.550 -16.337 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.706 -7.886 -16.091 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.746 -9.138 -17.317 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.519 -7.498 -18.960 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.468 -6.248 -17.732 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.899 -7.307 -17.749 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.042 -5.871 -20.179 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.704 -5.184 -21.106 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.231 -6.448 -18.929 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.535 -5.512 -20.396 1.00 0.00 H new ATOM 1344 N ALA A 82 -8.784 -8.672 -14.356 1.00 0.00 N ATOM 1345 CA ALA A 82 -10.162 -8.618 -13.884 1.00 0.00 C ATOM 1346 C ALA A 82 -10.560 -7.193 -13.514 1.00 0.00 C ATOM 1347 O ALA A 82 -9.718 -6.384 -13.123 1.00 0.00 O ATOM 1348 CB ALA A 82 -10.349 -9.548 -12.694 1.00 0.00 C ATOM 0 H ALA A 82 -8.183 -7.935 -13.987 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.811 -8.949 -14.694 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.383 -9.498 -12.352 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.114 -10.570 -12.991 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.684 -9.243 -11.886 1.00 0.00 H new ATOM 1354 N LYS A 83 -11.848 -6.894 -13.637 1.00 0.00 N ATOM 1355 CA LYS A 83 -12.366 -5.578 -13.276 1.00 0.00 C ATOM 1356 C LYS A 83 -12.306 -5.366 -11.766 1.00 0.00 C ATOM 1357 O LYS A 83 -11.600 -4.482 -11.282 1.00 0.00 O ATOM 1358 CB LYS A 83 -13.801 -5.410 -13.777 1.00 0.00 C ATOM 1359 CG LYS A 83 -14.429 -4.063 -13.445 1.00 0.00 C ATOM 1360 CD LYS A 83 -15.842 -3.960 -13.999 1.00 0.00 C ATOM 1361 CE LYS A 83 -16.475 -2.619 -13.657 1.00 0.00 C ATOM 1362 NZ LYS A 83 -17.870 -2.516 -14.167 1.00 0.00 N ATOM 0 H LYS A 83 -12.553 -7.544 -13.984 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.739 -4.826 -13.754 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.814 -5.547 -14.858 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.417 -6.200 -13.349 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.449 -3.925 -12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.815 -3.262 -13.857 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -15.821 -4.089 -15.081 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.453 -4.767 -13.594 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.473 -2.482 -12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.873 -1.815 -14.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.265 -1.588 -13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.870 -2.621 -15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.451 -3.267 -13.743 1.00 0.00 H new ATOM 1376 N ASP A 84 -13.049 -6.184 -11.029 1.00 0.00 N ATOM 1377 CA ASP A 84 -13.009 -6.148 -9.571 1.00 0.00 C ATOM 1378 C ASP A 84 -11.695 -6.719 -9.049 1.00 0.00 C ATOM 1379 O ASP A 84 -11.686 -7.835 -8.534 1.00 0.00 O ATOM 1380 CB ASP A 84 -14.192 -6.920 -8.981 1.00 0.00 C ATOM 1381 CG ASP A 84 -15.534 -6.214 -9.116 1.00 0.00 C ATOM 1382 OD1 ASP A 84 -15.544 -5.064 -9.486 1.00 0.00 O ATOM 1383 OD2 ASP A 84 -16.542 -6.870 -9.001 1.00 0.00 O ATOM 1384 OXT ASP A 84 -10.684 -6.079 -9.144 1.00 0.00 O ATOM 0 H ASP A 84 -13.686 -6.880 -11.417 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.080 -5.106 -9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.256 -7.892 -9.470 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.998 -7.107 -7.925 1.00 0.00 H new TER 1389 ASP A 84