USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 768 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 39 GLN : amide:sc= -1.96! C(o=-1.8!,f=-2.7!) USER MOD Set 1.2: A 45 THR OG1 : rot -167:sc= 0.142 USER MOD Set 2.1: A 28 SER OG : rot 110:sc=-0.00555 USER MOD Set 2.2: A 66 MET CE :methyl -142:sc= -2.89! (180deg=-7.77!) USER MOD Single : A 1 SER N :NH3+ -104:sc= 0.146 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0556 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 7 SER OG : rot 180:sc= -0.37 USER MOD Single : A 8 HIS : no HD1:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.756 K(o=-0.76,f=-0.21) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.045 USER MOD Single : A 41 THR OG1 : rot -2:sc= 0.297 USER MOD Single : A 46 SER OG : rot -11:sc= -1.47 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -91:sc= 0.571 USER MOD Single : A 56 GLN : amide:sc= -5.6! K(o=-5.6!,f=-4.7) USER MOD Single : A 64 GLN : amide:sc= -0.961 X(o=-0.96,f=-0.82) USER MOD Single : A 69 GLN : amide:sc= -3.4! K(o=-3.4!,f=-0.92) USER MOD Single : A 72 SER OG : rot -68:sc= 0.809 USER MOD Single : A 75 SER OG : rot 180:sc= 0.00503 USER MOD Single : A 76 GLN : amide:sc= -0.363 K(o=-0.36,f=-3.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -173:sc= 0 (180deg=-0.0104) USER MOD Single : A 87 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.41) USER MOD Single : A 89 MET CE :methyl 151:sc= -5.31! (180deg=-8.05!) USER MOD Single : A 90 GLN : amide:sc= -1.83 K(o=-1.8,f=-2.5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 85:sc= 1.06 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 98 SER OG : rot -12:sc= 0.835! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.751 -26.709 3.203 1.00 0.00 N ATOM 2 CA SER A 1 7.759 -25.914 3.972 1.00 0.00 C ATOM 3 C SER A 1 8.443 -24.843 4.815 1.00 0.00 C ATOM 4 O SER A 1 9.665 -24.701 4.783 1.00 0.00 O ATOM 5 CB SER A 1 6.966 -26.865 4.871 1.00 0.00 C ATOM 6 OG SER A 1 6.498 -27.986 4.142 1.00 0.00 O ATOM 0 H1 SER A 1 8.738 -26.410 2.207 1.00 0.00 H new ATOM 0 H2 SER A 1 9.701 -26.555 3.598 1.00 0.00 H new ATOM 0 H3 SER A 1 8.510 -27.719 3.265 1.00 0.00 H new ATOM 0 HA SER A 1 7.091 -25.406 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.595 -27.201 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.121 -26.335 5.311 1.00 0.00 H new ATOM 0 HG SER A 1 5.996 -28.579 4.740 1.00 0.00 H new ATOM 14 N GLY A 2 7.647 -24.092 5.568 1.00 0.00 N ATOM 15 CA GLY A 2 8.194 -23.043 6.409 1.00 0.00 C ATOM 16 C GLY A 2 7.883 -21.656 5.882 1.00 0.00 C ATOM 17 O GLY A 2 8.650 -20.718 6.095 1.00 0.00 O ATOM 0 H GLY A 2 6.633 -24.191 5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 2 7.793 -23.144 7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.274 -23.167 6.482 1.00 0.00 H new ATOM 21 N PHE A 3 6.754 -21.527 5.193 1.00 0.00 N ATOM 22 CA PHE A 3 6.343 -20.244 4.635 1.00 0.00 C ATOM 23 C PHE A 3 4.980 -19.826 5.176 1.00 0.00 C ATOM 24 O PHE A 3 4.178 -20.666 5.582 1.00 0.00 O ATOM 25 CB PHE A 3 6.297 -20.322 3.108 1.00 0.00 C ATOM 26 CG PHE A 3 5.436 -21.438 2.589 1.00 0.00 C ATOM 27 CD1 PHE A 3 4.058 -21.300 2.537 1.00 0.00 C ATOM 28 CD2 PHE A 3 6.004 -22.625 2.156 1.00 0.00 C ATOM 29 CE1 PHE A 3 3.263 -22.326 2.061 1.00 0.00 C ATOM 30 CE2 PHE A 3 5.215 -23.654 1.679 1.00 0.00 C ATOM 31 CZ PHE A 3 3.842 -23.504 1.631 1.00 0.00 C ATOM 0 H PHE A 3 6.108 -22.294 5.008 1.00 0.00 H new ATOM 0 HA PHE A 3 7.076 -19.494 4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.926 -19.375 2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.311 -20.450 2.728 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.600 -20.381 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.076 -22.748 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.190 -22.207 2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 3 5.671 -24.574 1.344 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.223 -24.306 1.258 1.00 0.00 H new ATOM 41 N LYS A 4 4.727 -18.522 5.180 1.00 0.00 N ATOM 42 CA LYS A 4 3.461 -17.991 5.670 1.00 0.00 C ATOM 43 C LYS A 4 2.419 -17.957 4.557 1.00 0.00 C ATOM 44 O LYS A 4 2.752 -17.763 3.388 1.00 0.00 O ATOM 45 CB LYS A 4 3.661 -16.586 6.240 1.00 0.00 C ATOM 46 CG LYS A 4 3.550 -16.523 7.755 1.00 0.00 C ATOM 47 CD LYS A 4 2.245 -15.879 8.193 1.00 0.00 C ATOM 48 CE LYS A 4 2.410 -15.121 9.500 1.00 0.00 C ATOM 49 NZ LYS A 4 2.397 -13.647 9.293 1.00 0.00 N ATOM 0 H LYS A 4 5.382 -17.813 4.849 1.00 0.00 H new ATOM 0 HA LYS A 4 3.101 -18.649 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.642 -16.217 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.921 -15.916 5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.616 -17.530 8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.389 -15.957 8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.896 -15.197 7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.480 -16.647 8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.608 -15.398 10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.348 -15.413 9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.512 -13.167 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.178 -13.378 8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.492 -13.364 8.865 1.00 0.00 H new ATOM 63 N HIS A 5 1.157 -18.147 4.928 1.00 0.00 N ATOM 64 CA HIS A 5 0.067 -18.138 3.959 1.00 0.00 C ATOM 65 C HIS A 5 -0.980 -17.093 4.328 1.00 0.00 C ATOM 66 O HIS A 5 -2.177 -17.379 4.350 1.00 0.00 O ATOM 67 CB HIS A 5 -0.582 -19.521 3.877 1.00 0.00 C ATOM 68 CG HIS A 5 -0.917 -19.944 2.480 1.00 0.00 C ATOM 69 ND1 HIS A 5 -1.580 -19.130 1.585 1.00 0.00 N ATOM 70 CD2 HIS A 5 -0.679 -21.106 1.825 1.00 0.00 C ATOM 71 CE1 HIS A 5 -1.734 -19.772 0.440 1.00 0.00 C ATOM 72 NE2 HIS A 5 -1.197 -20.971 0.560 1.00 0.00 N ATOM 0 H HIS A 5 0.864 -18.309 5.892 1.00 0.00 H new ATOM 0 HA HIS A 5 0.482 -17.881 2.985 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.091 -20.256 4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.492 -19.522 4.476 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.176 -21.975 2.223 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -2.217 -19.382 -0.443 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -1.171 -21.683 -0.169 1.00 0.00 H new ATOM 81 N VAL A 6 -0.521 -15.879 4.616 1.00 0.00 N ATOM 82 CA VAL A 6 -1.418 -14.789 4.980 1.00 0.00 C ATOM 83 C VAL A 6 -1.329 -13.647 3.972 1.00 0.00 C ATOM 84 O VAL A 6 -0.249 -13.330 3.473 1.00 0.00 O ATOM 85 CB VAL A 6 -1.101 -14.245 6.386 1.00 0.00 C ATOM 86 CG1 VAL A 6 -2.225 -13.345 6.875 1.00 0.00 C ATOM 87 CG2 VAL A 6 -0.860 -15.388 7.360 1.00 0.00 C ATOM 0 H VAL A 6 0.467 -15.626 4.604 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.429 -15.196 4.977 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.189 -13.650 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.984 -12.970 7.870 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.344 -12.506 6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.154 -13.913 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.638 -14.984 8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.752 -16.013 7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.018 -15.988 7.016 1.00 0.00 H new ATOM 97 N SER A 7 -2.470 -13.037 3.673 1.00 0.00 N ATOM 98 CA SER A 7 -2.521 -11.936 2.718 1.00 0.00 C ATOM 99 C SER A 7 -1.997 -12.378 1.357 1.00 0.00 C ATOM 100 O SER A 7 -1.543 -13.511 1.194 1.00 0.00 O ATOM 101 CB SER A 7 -1.705 -10.749 3.231 1.00 0.00 C ATOM 102 OG SER A 7 -1.589 -9.743 2.239 1.00 0.00 O ATOM 0 H SER A 7 -3.372 -13.286 4.078 1.00 0.00 H new ATOM 0 HA SER A 7 -3.561 -11.630 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.180 -10.334 4.120 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.712 -11.087 3.528 1.00 0.00 H new ATOM 0 HG SER A 7 -1.064 -8.994 2.592 1.00 0.00 H new ATOM 108 N HIS A 8 -2.058 -11.478 0.380 1.00 0.00 N ATOM 109 CA HIS A 8 -1.587 -11.785 -0.964 1.00 0.00 C ATOM 110 C HIS A 8 -1.646 -10.557 -1.867 1.00 0.00 C ATOM 111 O HIS A 8 -2.371 -10.542 -2.862 1.00 0.00 O ATOM 112 CB HIS A 8 -2.420 -12.916 -1.570 1.00 0.00 C ATOM 113 CG HIS A 8 -1.751 -13.600 -2.721 1.00 0.00 C ATOM 114 ND1 HIS A 8 -2.109 -14.858 -3.162 1.00 0.00 N ATOM 115 CD2 HIS A 8 -0.739 -13.196 -3.525 1.00 0.00 C ATOM 116 CE1 HIS A 8 -1.347 -15.197 -4.187 1.00 0.00 C ATOM 117 NE2 HIS A 8 -0.508 -14.206 -4.426 1.00 0.00 N ATOM 0 H HIS A 8 -2.428 -10.534 0.494 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.547 -12.102 -0.889 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.636 -13.652 -0.796 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.377 -12.514 -1.903 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.212 -12.255 -3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.401 -16.126 -4.735 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.198 -14.193 -5.162 1.00 0.00 H new ATOM 126 N VAL A 9 -0.869 -9.535 -1.524 1.00 0.00 N ATOM 127 CA VAL A 9 -0.822 -8.314 -2.321 1.00 0.00 C ATOM 128 C VAL A 9 -0.360 -8.620 -3.741 1.00 0.00 C ATOM 129 O VAL A 9 -0.984 -8.200 -4.715 1.00 0.00 O ATOM 130 CB VAL A 9 0.117 -7.261 -1.700 1.00 0.00 C ATOM 131 CG1 VAL A 9 -0.182 -5.881 -2.264 1.00 0.00 C ATOM 132 CG2 VAL A 9 -0.004 -7.261 -0.184 1.00 0.00 C ATOM 0 H VAL A 9 -0.265 -9.527 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.833 -7.907 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 9 1.143 -7.521 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.490 -5.151 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.037 -5.890 -3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.214 -5.611 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.667 -6.511 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.031 -7.028 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.265 -8.244 0.202 1.00 0.00 H new ATOM 142 N GLY A 10 0.732 -9.372 -3.847 1.00 0.00 N ATOM 143 CA GLY A 10 1.252 -9.752 -5.147 1.00 0.00 C ATOM 144 C GLY A 10 1.633 -8.561 -6.005 1.00 0.00 C ATOM 145 O GLY A 10 1.393 -8.559 -7.212 1.00 0.00 O ATOM 0 H GLY A 10 1.266 -9.725 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.126 -10.389 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.504 -10.346 -5.672 1.00 0.00 H new ATOM 149 N TRP A 11 2.249 -7.557 -5.391 1.00 0.00 N ATOM 150 CA TRP A 11 2.671 -6.367 -6.121 1.00 0.00 C ATOM 151 C TRP A 11 4.081 -6.570 -6.684 1.00 0.00 C ATOM 152 O TRP A 11 4.855 -7.372 -6.163 1.00 0.00 O ATOM 153 CB TRP A 11 2.581 -5.116 -5.217 1.00 0.00 C ATOM 154 CG TRP A 11 3.885 -4.624 -4.642 1.00 0.00 C ATOM 155 CD1 TRP A 11 4.355 -3.344 -4.691 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.886 -5.392 -3.957 1.00 0.00 C ATOM 157 NE1 TRP A 11 5.579 -3.264 -4.076 1.00 0.00 N ATOM 158 CE2 TRP A 11 5.927 -4.505 -3.617 1.00 0.00 C ATOM 159 CE3 TRP A 11 5.003 -6.736 -3.588 1.00 0.00 C ATOM 160 CZ2 TRP A 11 7.067 -4.920 -2.934 1.00 0.00 C ATOM 161 CZ3 TRP A 11 6.138 -7.146 -2.914 1.00 0.00 C ATOM 162 CH2 TRP A 11 7.155 -6.241 -2.591 1.00 0.00 C ATOM 0 H TRP A 11 2.467 -7.543 -4.395 1.00 0.00 H new ATOM 0 HA TRP A 11 1.999 -6.204 -6.963 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.132 -4.307 -5.793 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.902 -5.335 -4.393 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.838 -2.513 -5.148 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.139 -2.417 -3.977 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.220 -7.441 -3.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.854 -4.224 -2.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.242 -8.183 -2.632 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.027 -6.593 -2.060 1.00 0.00 H new ATOM 173 N ASP A 12 4.396 -5.878 -7.771 1.00 0.00 N ATOM 174 CA ASP A 12 5.710 -6.006 -8.390 1.00 0.00 C ATOM 175 C ASP A 12 6.693 -5.002 -7.789 1.00 0.00 C ATOM 176 O ASP A 12 6.344 -3.846 -7.553 1.00 0.00 O ATOM 177 CB ASP A 12 5.614 -5.802 -9.903 1.00 0.00 C ATOM 178 CG ASP A 12 4.355 -6.405 -10.493 1.00 0.00 C ATOM 179 OD1 ASP A 12 4.387 -7.595 -10.872 1.00 0.00 O ATOM 180 OD2 ASP A 12 3.336 -5.687 -10.578 1.00 0.00 O ATOM 0 H ASP A 12 3.766 -5.227 -8.240 1.00 0.00 H new ATOM 0 HA ASP A 12 6.078 -7.013 -8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.640 -4.735 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.485 -6.248 -10.382 1.00 0.00 H new ATOM 185 N PRO A 13 7.939 -5.436 -7.525 1.00 0.00 N ATOM 186 CA PRO A 13 8.968 -4.576 -6.938 1.00 0.00 C ATOM 187 C PRO A 13 9.611 -3.654 -7.969 1.00 0.00 C ATOM 188 O PRO A 13 10.159 -2.607 -7.624 1.00 0.00 O ATOM 189 CB PRO A 13 9.989 -5.579 -6.406 1.00 0.00 C ATOM 190 CG PRO A 13 9.878 -6.747 -7.324 1.00 0.00 C ATOM 191 CD PRO A 13 8.439 -6.803 -7.770 1.00 0.00 C ATOM 0 HA PRO A 13 8.564 -3.908 -6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.996 -5.162 -6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.769 -5.861 -5.376 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.545 -6.634 -8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.163 -7.668 -6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.357 -7.076 -8.822 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.873 -7.543 -7.204 1.00 0.00 H new ATOM 199 N GLN A 14 9.543 -4.052 -9.235 1.00 0.00 N ATOM 200 CA GLN A 14 10.116 -3.260 -10.317 1.00 0.00 C ATOM 201 C GLN A 14 9.043 -2.425 -11.008 1.00 0.00 C ATOM 202 O GLN A 14 9.265 -1.261 -11.339 1.00 0.00 O ATOM 203 CB GLN A 14 10.799 -4.175 -11.336 1.00 0.00 C ATOM 204 CG GLN A 14 12.012 -4.903 -10.784 1.00 0.00 C ATOM 205 CD GLN A 14 13.157 -3.964 -10.461 1.00 0.00 C ATOM 206 OE1 GLN A 14 14.083 -3.798 -11.256 1.00 0.00 O ATOM 207 NE2 GLN A 14 13.099 -3.341 -9.290 1.00 0.00 N ATOM 0 H GLN A 14 9.097 -4.918 -9.537 1.00 0.00 H new ATOM 0 HA GLN A 14 10.856 -2.584 -9.888 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.077 -4.909 -11.694 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.103 -3.581 -12.198 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.727 -5.446 -9.883 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.348 -5.644 -11.509 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.313 -3.508 -8.662 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.840 -2.695 -9.019 1.00 0.00 H new ATOM 216 N ASN A 15 7.880 -3.030 -11.221 1.00 0.00 N ATOM 217 CA ASN A 15 6.770 -2.345 -11.872 1.00 0.00 C ATOM 218 C ASN A 15 5.895 -1.627 -10.849 1.00 0.00 C ATOM 219 O ASN A 15 5.225 -0.646 -11.170 1.00 0.00 O ATOM 220 CB ASN A 15 5.928 -3.342 -12.670 1.00 0.00 C ATOM 221 CG ASN A 15 6.769 -4.176 -13.617 1.00 0.00 C ATOM 222 OD1 ASN A 15 7.608 -3.649 -14.348 1.00 0.00 O ATOM 223 ND2 ASN A 15 6.550 -5.486 -13.607 1.00 0.00 N ATOM 0 H ASN A 15 7.681 -3.994 -10.952 1.00 0.00 H new ATOM 0 HA ASN A 15 7.184 -1.601 -12.552 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.399 -4.001 -11.981 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.171 -2.802 -13.239 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.087 -6.098 -14.222 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.845 -5.880 -12.985 1.00 0.00 H new ATOM 230 N GLY A 16 5.904 -2.125 -9.617 1.00 0.00 N ATOM 231 CA GLY A 16 5.102 -1.523 -8.569 1.00 0.00 C ATOM 232 C GLY A 16 3.799 -2.263 -8.344 1.00 0.00 C ATOM 233 O GLY A 16 3.755 -3.491 -8.415 1.00 0.00 O ATOM 0 H GLY A 16 6.452 -2.934 -9.326 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.673 -1.508 -7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.888 -0.486 -8.829 1.00 0.00 H new ATOM 237 N PHE A 17 2.736 -1.515 -8.068 1.00 0.00 N ATOM 238 CA PHE A 17 1.425 -2.107 -7.838 1.00 0.00 C ATOM 239 C PHE A 17 0.716 -2.385 -9.159 1.00 0.00 C ATOM 240 O PHE A 17 0.875 -1.643 -10.128 1.00 0.00 O ATOM 241 CB PHE A 17 0.573 -1.176 -6.974 1.00 0.00 C ATOM 242 CG PHE A 17 0.184 -1.769 -5.650 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.362 -3.040 -5.577 1.00 0.00 C ATOM 244 CD2 PHE A 17 0.365 -1.052 -4.478 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.721 -3.586 -4.359 1.00 0.00 C ATOM 246 CE2 PHE A 17 0.008 -1.593 -3.257 1.00 0.00 C ATOM 247 CZ PHE A 17 -0.535 -2.861 -3.198 1.00 0.00 C ATOM 0 H PHE A 17 2.758 -0.498 -7.998 1.00 0.00 H new ATOM 0 HA PHE A 17 1.564 -3.054 -7.316 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.123 -0.251 -6.800 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.331 -0.911 -7.523 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.509 -3.611 -6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.790 -0.060 -4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.146 -4.578 -4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.154 -1.024 -2.350 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.814 -3.286 -2.245 1.00 0.00 H new ATOM 257 N ASP A 18 -0.069 -3.457 -9.191 1.00 0.00 N ATOM 258 CA ASP A 18 -0.804 -3.830 -10.394 1.00 0.00 C ATOM 259 C ASP A 18 -2.125 -3.074 -10.482 1.00 0.00 C ATOM 260 O ASP A 18 -3.197 -3.677 -10.488 1.00 0.00 O ATOM 261 CB ASP A 18 -1.067 -5.336 -10.409 1.00 0.00 C ATOM 262 CG ASP A 18 -0.974 -5.926 -11.803 1.00 0.00 C ATOM 263 OD1 ASP A 18 -1.358 -5.232 -12.768 1.00 0.00 O ATOM 264 OD2 ASP A 18 -0.518 -7.082 -11.929 1.00 0.00 O ATOM 0 H ASP A 18 -0.212 -4.082 -8.398 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.195 -3.564 -11.258 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.348 -5.834 -9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.058 -5.533 -10.000 1.00 0.00 H new ATOM 269 N VAL A 19 -2.039 -1.749 -10.547 1.00 0.00 N ATOM 270 CA VAL A 19 -3.229 -0.906 -10.630 1.00 0.00 C ATOM 271 C VAL A 19 -4.182 -1.401 -11.712 1.00 0.00 C ATOM 272 O VAL A 19 -5.388 -1.167 -11.643 1.00 0.00 O ATOM 273 CB VAL A 19 -2.864 0.564 -10.908 1.00 0.00 C ATOM 274 CG1 VAL A 19 -2.305 1.218 -9.653 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.875 0.665 -12.060 1.00 0.00 C ATOM 0 H VAL A 19 -1.158 -1.235 -10.544 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.725 -0.967 -9.661 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.770 1.096 -11.196 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.052 2.257 -9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.052 1.182 -8.860 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.410 0.685 -9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.631 1.712 -12.239 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.966 0.119 -11.808 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.319 0.237 -12.959 1.00 0.00 H new ATOM 285 N ASN A 20 -3.637 -2.097 -12.703 1.00 0.00 N ATOM 286 CA ASN A 20 -4.443 -2.632 -13.792 1.00 0.00 C ATOM 287 C ASN A 20 -5.294 -3.809 -13.319 1.00 0.00 C ATOM 288 O ASN A 20 -6.295 -4.153 -13.948 1.00 0.00 O ATOM 289 CB ASN A 20 -3.544 -3.071 -14.949 1.00 0.00 C ATOM 290 CG ASN A 20 -3.165 -1.917 -15.855 1.00 0.00 C ATOM 291 OD1 ASN A 20 -4.029 -1.240 -16.412 1.00 0.00 O ATOM 292 ND2 ASN A 20 -1.866 -1.684 -16.006 1.00 0.00 N ATOM 0 H ASN A 20 -2.641 -2.304 -12.774 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.111 -1.842 -14.136 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.639 -3.528 -14.549 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.056 -3.836 -15.534 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.551 -0.919 -16.603 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.183 -2.270 -15.525 1.00 0.00 H new ATOM 299 N ASN A 21 -4.890 -4.427 -12.211 1.00 0.00 N ATOM 300 CA ASN A 21 -5.618 -5.569 -11.667 1.00 0.00 C ATOM 301 C ASN A 21 -5.855 -5.416 -10.165 1.00 0.00 C ATOM 302 O ASN A 21 -6.098 -6.399 -9.465 1.00 0.00 O ATOM 303 CB ASN A 21 -4.852 -6.864 -11.941 1.00 0.00 C ATOM 304 CG ASN A 21 -4.785 -7.194 -13.419 1.00 0.00 C ATOM 305 OD1 ASN A 21 -5.806 -7.231 -14.105 1.00 0.00 O ATOM 306 ND2 ASN A 21 -3.579 -7.439 -13.917 1.00 0.00 N ATOM 0 H ASN A 21 -4.066 -4.157 -11.675 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.588 -5.610 -12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.840 -6.775 -11.545 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.331 -7.686 -11.409 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.472 -7.669 -14.905 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.759 -7.397 -13.312 1.00 0.00 H new ATOM 313 N LEU A 22 -5.784 -4.182 -9.674 1.00 0.00 N ATOM 314 CA LEU A 22 -6.004 -3.910 -8.257 1.00 0.00 C ATOM 315 C LEU A 22 -7.467 -4.106 -7.880 1.00 0.00 C ATOM 316 O LEU A 22 -8.349 -4.090 -8.738 1.00 0.00 O ATOM 317 CB LEU A 22 -5.563 -2.490 -7.903 1.00 0.00 C ATOM 318 CG LEU A 22 -4.062 -2.319 -7.667 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.749 -0.890 -7.251 1.00 0.00 C ATOM 320 CD2 LEU A 22 -3.575 -3.302 -6.613 1.00 0.00 C ATOM 0 H LEU A 22 -5.576 -3.356 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.402 -4.619 -7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.868 -1.820 -8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.095 -2.174 -7.006 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.538 -2.528 -8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.676 -0.785 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.064 -0.205 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.282 -0.654 -6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.505 -3.167 -6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.104 -3.123 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.767 -4.321 -6.949 1.00 0.00 H new ATOM 332 N ASP A 23 -7.715 -4.299 -6.589 1.00 0.00 N ATOM 333 CA ASP A 23 -9.069 -4.503 -6.094 1.00 0.00 C ATOM 334 C ASP A 23 -9.783 -3.167 -5.904 1.00 0.00 C ATOM 335 O ASP A 23 -9.186 -2.197 -5.436 1.00 0.00 O ATOM 336 CB ASP A 23 -9.035 -5.267 -4.768 1.00 0.00 C ATOM 337 CG ASP A 23 -10.307 -6.053 -4.519 1.00 0.00 C ATOM 338 OD1 ASP A 23 -10.510 -7.084 -5.194 1.00 0.00 O ATOM 339 OD2 ASP A 23 -11.101 -5.637 -3.649 1.00 0.00 O ATOM 0 H ASP A 23 -6.995 -4.318 -5.867 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.618 -5.088 -6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.184 -5.948 -4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.881 -4.563 -3.950 1.00 0.00 H new ATOM 344 N PRO A 24 -11.076 -3.096 -6.270 1.00 0.00 N ATOM 345 CA PRO A 24 -11.864 -1.867 -6.144 1.00 0.00 C ATOM 346 C PRO A 24 -11.849 -1.308 -4.725 1.00 0.00 C ATOM 347 O PRO A 24 -12.141 -0.132 -4.509 1.00 0.00 O ATOM 348 CB PRO A 24 -13.279 -2.302 -6.532 1.00 0.00 C ATOM 349 CG PRO A 24 -13.095 -3.520 -7.366 1.00 0.00 C ATOM 350 CD PRO A 24 -11.865 -4.202 -6.841 1.00 0.00 C ATOM 0 HA PRO A 24 -11.465 -1.067 -6.769 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.882 -2.516 -5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.794 -1.518 -7.087 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.964 -4.175 -7.296 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.977 -3.258 -8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.111 -4.950 -6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.321 -4.715 -7.634 1.00 0.00 H new ATOM 358 N ASP A 25 -11.501 -2.154 -3.762 1.00 0.00 N ATOM 359 CA ASP A 25 -11.455 -1.742 -2.365 1.00 0.00 C ATOM 360 C ASP A 25 -10.154 -1.011 -2.050 1.00 0.00 C ATOM 361 O ASP A 25 -10.168 0.128 -1.583 1.00 0.00 O ATOM 362 CB ASP A 25 -11.601 -2.959 -1.449 1.00 0.00 C ATOM 363 CG ASP A 25 -12.924 -3.672 -1.643 1.00 0.00 C ATOM 364 OD1 ASP A 25 -13.597 -3.409 -2.662 1.00 0.00 O ATOM 365 OD2 ASP A 25 -13.288 -4.494 -0.776 1.00 0.00 O ATOM 0 H ASP A 25 -11.247 -3.129 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.285 -1.058 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.785 -3.655 -1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.511 -2.641 -0.410 1.00 0.00 H new ATOM 370 N LEU A 26 -9.030 -1.679 -2.288 1.00 0.00 N ATOM 371 CA LEU A 26 -7.724 -1.091 -2.017 1.00 0.00 C ATOM 372 C LEU A 26 -7.408 0.024 -3.007 1.00 0.00 C ATOM 373 O LEU A 26 -6.872 1.066 -2.631 1.00 0.00 O ATOM 374 CB LEU A 26 -6.632 -2.161 -2.063 1.00 0.00 C ATOM 375 CG LEU A 26 -6.448 -2.848 -3.416 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.322 -2.186 -4.200 1.00 0.00 C ATOM 377 CD2 LEU A 26 -6.170 -4.331 -3.219 1.00 0.00 C ATOM 0 H LEU A 26 -8.997 -2.625 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.753 -0.661 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.686 -1.704 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.859 -2.921 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.369 -2.744 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.204 -2.687 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.562 -1.136 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.393 -2.261 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.041 -4.809 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.262 -4.456 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.008 -4.792 -2.696 1.00 0.00 H new ATOM 389 N ARG A 27 -7.743 -0.196 -4.274 1.00 0.00 N ATOM 390 CA ARG A 27 -7.494 0.803 -5.306 1.00 0.00 C ATOM 391 C ARG A 27 -8.213 2.106 -4.975 1.00 0.00 C ATOM 392 O ARG A 27 -7.678 3.194 -5.188 1.00 0.00 O ATOM 393 CB ARG A 27 -7.939 0.283 -6.676 1.00 0.00 C ATOM 394 CG ARG A 27 -9.447 0.171 -6.831 1.00 0.00 C ATOM 395 CD ARG A 27 -10.047 1.446 -7.402 1.00 0.00 C ATOM 396 NE ARG A 27 -11.006 1.167 -8.466 1.00 0.00 N ATOM 397 CZ ARG A 27 -11.880 2.058 -8.925 1.00 0.00 C ATOM 398 NH1 ARG A 27 -11.913 3.281 -8.413 1.00 0.00 N ATOM 399 NH2 ARG A 27 -12.720 1.726 -9.895 1.00 0.00 N ATOM 0 H ARG A 27 -8.185 -1.052 -4.609 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.422 0.998 -5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.552 0.947 -7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.492 -0.697 -6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.685 -0.668 -7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.898 -0.042 -5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.540 2.003 -6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.250 2.081 -7.789 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.006 0.235 -8.881 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.268 3.539 -7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.584 3.964 -8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.697 0.786 -10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.390 2.410 -10.246 1.00 0.00 H new ATOM 413 N SER A 28 -9.428 1.987 -4.449 1.00 0.00 N ATOM 414 CA SER A 28 -10.212 3.152 -4.061 1.00 0.00 C ATOM 415 C SER A 28 -9.525 3.909 -2.930 1.00 0.00 C ATOM 416 O SER A 28 -9.526 5.139 -2.899 1.00 0.00 O ATOM 417 CB SER A 28 -11.616 2.727 -3.627 1.00 0.00 C ATOM 418 OG SER A 28 -12.333 3.818 -3.077 1.00 0.00 O ATOM 0 H SER A 28 -9.891 1.093 -4.282 1.00 0.00 H new ATOM 0 HA SER A 28 -10.293 3.813 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.159 2.326 -4.483 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.545 1.926 -2.891 1.00 0.00 H new ATOM 0 HG SER A 28 -13.050 4.081 -3.691 1.00 0.00 H new ATOM 424 N LEU A 29 -8.933 3.160 -2.005 1.00 0.00 N ATOM 425 CA LEU A 29 -8.234 3.752 -0.871 1.00 0.00 C ATOM 426 C LEU A 29 -7.153 4.715 -1.351 1.00 0.00 C ATOM 427 O LEU A 29 -7.091 5.862 -0.910 1.00 0.00 O ATOM 428 CB LEU A 29 -7.614 2.653 -0.001 1.00 0.00 C ATOM 429 CG LEU A 29 -6.603 3.137 1.042 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.318 3.784 2.217 1.00 0.00 C ATOM 431 CD2 LEU A 29 -5.733 1.983 1.514 1.00 0.00 C ATOM 0 H LEU A 29 -8.924 2.140 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.955 4.311 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.416 2.123 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.122 1.931 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.960 3.885 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.584 4.122 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.899 4.637 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.985 3.058 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.020 2.344 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.361 1.213 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.193 1.564 0.665 1.00 0.00 H new ATOM 443 N PHE A 30 -6.310 4.242 -2.262 1.00 0.00 N ATOM 444 CA PHE A 30 -5.242 5.068 -2.811 1.00 0.00 C ATOM 445 C PHE A 30 -5.801 6.386 -3.333 1.00 0.00 C ATOM 446 O PHE A 30 -5.286 7.459 -3.018 1.00 0.00 O ATOM 447 CB PHE A 30 -4.520 4.322 -3.935 1.00 0.00 C ATOM 448 CG PHE A 30 -3.905 3.025 -3.492 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.381 2.894 -2.217 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.857 1.936 -4.348 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.817 1.703 -1.802 1.00 0.00 C ATOM 452 CE2 PHE A 30 -3.293 0.742 -3.939 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.773 0.625 -2.665 1.00 0.00 C ATOM 0 H PHE A 30 -6.345 3.293 -2.635 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.529 5.283 -2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.226 4.124 -4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.740 4.964 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.414 3.733 -1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.264 2.021 -5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.411 1.615 -0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.259 -0.099 -4.616 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.333 -0.307 -2.344 1.00 0.00 H new ATOM 463 N SER A 31 -6.862 6.296 -4.129 1.00 0.00 N ATOM 464 CA SER A 31 -7.503 7.482 -4.683 1.00 0.00 C ATOM 465 C SER A 31 -8.062 8.365 -3.571 1.00 0.00 C ATOM 466 O SER A 31 -7.946 9.589 -3.618 1.00 0.00 O ATOM 467 CB SER A 31 -8.624 7.079 -5.643 1.00 0.00 C ATOM 468 OG SER A 31 -8.186 6.078 -6.547 1.00 0.00 O ATOM 0 H SER A 31 -7.295 5.415 -4.404 1.00 0.00 H new ATOM 0 HA SER A 31 -6.752 8.050 -5.232 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.479 6.712 -5.075 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.962 7.953 -6.199 1.00 0.00 H new ATOM 0 HG SER A 31 -8.921 5.836 -7.149 1.00 0.00 H new ATOM 474 N ARG A 32 -8.668 7.732 -2.570 1.00 0.00 N ATOM 475 CA ARG A 32 -9.246 8.457 -1.443 1.00 0.00 C ATOM 476 C ARG A 32 -8.171 9.218 -0.674 1.00 0.00 C ATOM 477 O ARG A 32 -8.407 10.322 -0.185 1.00 0.00 O ATOM 478 CB ARG A 32 -9.970 7.487 -0.504 1.00 0.00 C ATOM 479 CG ARG A 32 -11.345 7.072 -1.001 1.00 0.00 C ATOM 480 CD ARG A 32 -11.937 5.968 -0.140 1.00 0.00 C ATOM 481 NE ARG A 32 -12.814 5.088 -0.906 1.00 0.00 N ATOM 482 CZ ARG A 32 -13.706 4.274 -0.351 1.00 0.00 C ATOM 483 NH1 ARG A 32 -13.837 4.230 0.968 1.00 0.00 N ATOM 484 NH2 ARG A 32 -14.468 3.504 -1.115 1.00 0.00 N ATOM 0 H ARG A 32 -8.771 6.719 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.963 9.177 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.356 6.596 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.072 7.952 0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.011 7.935 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.272 6.731 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.131 5.382 0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.497 6.411 0.683 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.738 5.098 -1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.253 4.822 1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.522 3.605 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.370 3.536 -2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.152 2.880 -0.688 1.00 0.00 H new ATOM 498 N ALA A 33 -6.985 8.624 -0.581 1.00 0.00 N ATOM 499 CA ALA A 33 -5.872 9.244 0.128 1.00 0.00 C ATOM 500 C ALA A 33 -5.164 10.283 -0.741 1.00 0.00 C ATOM 501 O ALA A 33 -4.389 11.097 -0.238 1.00 0.00 O ATOM 502 CB ALA A 33 -4.885 8.182 0.591 1.00 0.00 C ATOM 0 H ALA A 33 -6.771 7.714 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.277 9.759 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.059 8.658 1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.389 7.484 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.500 7.642 -0.274 1.00 0.00 H new ATOM 508 N GLY A 34 -5.435 10.257 -2.044 1.00 0.00 N ATOM 509 CA GLY A 34 -4.811 11.205 -2.948 1.00 0.00 C ATOM 510 C GLY A 34 -3.628 10.614 -3.696 1.00 0.00 C ATOM 511 O GLY A 34 -2.873 11.341 -4.342 1.00 0.00 O ATOM 0 H GLY A 34 -6.074 9.597 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.551 11.556 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.479 12.075 -2.382 1.00 0.00 H new ATOM 515 N ILE A 35 -3.461 9.297 -3.606 1.00 0.00 N ATOM 516 CA ILE A 35 -2.363 8.619 -4.284 1.00 0.00 C ATOM 517 C ILE A 35 -2.747 8.256 -5.715 1.00 0.00 C ATOM 518 O ILE A 35 -3.700 7.511 -5.943 1.00 0.00 O ATOM 519 CB ILE A 35 -1.940 7.343 -3.530 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.537 7.691 -2.095 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.795 6.649 -4.255 1.00 0.00 C ATOM 522 CD1 ILE A 35 -1.132 6.489 -1.269 1.00 0.00 C ATOM 0 H ILE A 35 -4.072 8.680 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.521 9.311 -4.303 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.787 6.658 -3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.709 8.399 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.371 8.194 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.510 5.750 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.114 6.376 -5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.059 7.323 -4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.860 6.813 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.966 5.790 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.278 5.998 -1.736 1.00 0.00 H new ATOM 534 N SER A 36 -2.001 8.791 -6.675 1.00 0.00 N ATOM 535 CA SER A 36 -2.268 8.530 -8.085 1.00 0.00 C ATOM 536 C SER A 36 -1.568 7.257 -8.547 1.00 0.00 C ATOM 537 O SER A 36 -0.588 6.820 -7.943 1.00 0.00 O ATOM 538 CB SER A 36 -1.812 9.715 -8.940 1.00 0.00 C ATOM 539 OG SER A 36 -0.412 9.679 -9.157 1.00 0.00 O ATOM 0 H SER A 36 -1.207 9.408 -6.503 1.00 0.00 H new ATOM 0 HA SER A 36 -3.343 8.395 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.332 9.698 -9.898 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.083 10.649 -8.447 1.00 0.00 H new ATOM 0 HG SER A 36 -0.146 10.445 -9.707 1.00 0.00 H new ATOM 545 N GLU A 37 -2.079 6.666 -9.622 1.00 0.00 N ATOM 546 CA GLU A 37 -1.508 5.439 -10.165 1.00 0.00 C ATOM 547 C GLU A 37 -0.011 5.594 -10.412 1.00 0.00 C ATOM 548 O GLU A 37 0.744 4.625 -10.325 1.00 0.00 O ATOM 549 CB GLU A 37 -2.215 5.058 -11.468 1.00 0.00 C ATOM 550 CG GLU A 37 -3.129 3.852 -11.331 1.00 0.00 C ATOM 551 CD GLU A 37 -4.588 4.198 -11.559 1.00 0.00 C ATOM 552 OE1 GLU A 37 -5.276 4.544 -10.576 1.00 0.00 O ATOM 553 OE2 GLU A 37 -5.041 4.122 -12.720 1.00 0.00 O ATOM 0 H GLU A 37 -2.888 7.017 -10.135 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.654 4.645 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.799 5.909 -11.817 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.465 4.851 -12.232 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.825 3.087 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.012 3.423 -10.336 1.00 0.00 H new ATOM 560 N ALA A 38 0.413 6.815 -10.719 1.00 0.00 N ATOM 561 CA ALA A 38 1.821 7.091 -10.972 1.00 0.00 C ATOM 562 C ALA A 38 2.683 6.631 -9.802 1.00 0.00 C ATOM 563 O ALA A 38 3.754 6.054 -9.995 1.00 0.00 O ATOM 564 CB ALA A 38 2.032 8.574 -11.235 1.00 0.00 C ATOM 0 H ALA A 38 -0.198 7.628 -10.798 1.00 0.00 H new ATOM 0 HA ALA A 38 2.123 6.533 -11.858 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.089 8.764 -11.422 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.450 8.876 -12.106 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.709 9.147 -10.366 1.00 0.00 H new ATOM 570 N GLN A 39 2.205 6.884 -8.589 1.00 0.00 N ATOM 571 CA GLN A 39 2.929 6.491 -7.386 1.00 0.00 C ATOM 572 C GLN A 39 2.757 5.001 -7.116 1.00 0.00 C ATOM 573 O GLN A 39 3.649 4.350 -6.573 1.00 0.00 O ATOM 574 CB GLN A 39 2.439 7.301 -6.185 1.00 0.00 C ATOM 575 CG GLN A 39 2.796 8.777 -6.262 1.00 0.00 C ATOM 576 CD GLN A 39 4.137 9.086 -5.629 1.00 0.00 C ATOM 577 OE1 GLN A 39 5.186 8.898 -6.246 1.00 0.00 O ATOM 578 NE2 GLN A 39 4.111 9.562 -4.390 1.00 0.00 N ATOM 0 H GLN A 39 1.320 7.359 -8.413 1.00 0.00 H new ATOM 0 HA GLN A 39 3.988 6.694 -7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.356 7.201 -6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.865 6.879 -5.274 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.811 9.089 -7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.021 9.361 -5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.219 9.702 -3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.983 9.787 -3.912 1.00 0.00 H new ATOM 587 N LEU A 40 1.614 4.459 -7.522 1.00 0.00 N ATOM 588 CA LEU A 40 1.332 3.043 -7.329 1.00 0.00 C ATOM 589 C LEU A 40 2.220 2.185 -8.226 1.00 0.00 C ATOM 590 O LEU A 40 2.462 1.013 -7.939 1.00 0.00 O ATOM 591 CB LEU A 40 -0.142 2.752 -7.619 1.00 0.00 C ATOM 592 CG LEU A 40 -1.132 3.373 -6.631 1.00 0.00 C ATOM 593 CD1 LEU A 40 -2.559 3.207 -7.131 1.00 0.00 C ATOM 594 CD2 LEU A 40 -0.972 2.750 -5.253 1.00 0.00 C ATOM 0 H LEU A 40 0.869 4.979 -7.986 1.00 0.00 H new ATOM 0 HA LEU A 40 1.547 2.792 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.377 3.112 -8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.289 1.672 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.918 4.439 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.249 3.654 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.666 3.701 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.786 2.146 -7.239 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.684 3.204 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.159 1.678 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.042 2.921 -4.892 1.00 0.00 H new ATOM 606 N THR A 41 2.715 2.780 -9.308 1.00 0.00 N ATOM 607 CA THR A 41 3.583 2.070 -10.241 1.00 0.00 C ATOM 608 C THR A 41 5.061 2.355 -9.964 1.00 0.00 C ATOM 609 O THR A 41 5.939 1.723 -10.552 1.00 0.00 O ATOM 610 CB THR A 41 3.235 2.457 -11.678 1.00 0.00 C ATOM 611 OG1 THR A 41 3.382 3.853 -11.872 1.00 0.00 O ATOM 612 CG2 THR A 41 1.823 2.083 -12.068 1.00 0.00 C ATOM 0 H THR A 41 2.530 3.751 -9.560 1.00 0.00 H new ATOM 0 HA THR A 41 3.418 1.001 -10.103 1.00 0.00 H new ATOM 0 HB THR A 41 3.929 1.899 -12.306 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.645 4.275 -11.027 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.638 2.384 -13.099 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.694 1.005 -11.976 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.117 2.590 -11.410 1.00 0.00 H new ATOM 620 N ASP A 42 5.335 3.295 -9.059 1.00 0.00 N ATOM 621 CA ASP A 42 6.709 3.639 -8.711 1.00 0.00 C ATOM 622 C ASP A 42 7.273 2.644 -7.702 1.00 0.00 C ATOM 623 O ASP A 42 6.800 2.558 -6.570 1.00 0.00 O ATOM 624 CB ASP A 42 6.773 5.056 -8.138 1.00 0.00 C ATOM 625 CG ASP A 42 8.108 5.726 -8.398 1.00 0.00 C ATOM 626 OD1 ASP A 42 9.019 5.581 -7.555 1.00 0.00 O ATOM 627 OD2 ASP A 42 8.243 6.395 -9.444 1.00 0.00 O ATOM 0 H ASP A 42 4.625 3.828 -8.557 1.00 0.00 H new ATOM 0 HA ASP A 42 7.312 3.596 -9.618 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.976 5.658 -8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.591 5.019 -7.064 1.00 0.00 H new ATOM 632 N ALA A 43 8.294 1.901 -8.117 1.00 0.00 N ATOM 633 CA ALA A 43 8.910 0.890 -7.261 1.00 0.00 C ATOM 634 C ALA A 43 9.167 1.423 -5.854 1.00 0.00 C ATOM 635 O ALA A 43 9.073 0.682 -4.875 1.00 0.00 O ATOM 636 CB ALA A 43 10.208 0.396 -7.883 1.00 0.00 C ATOM 0 H ALA A 43 8.714 1.980 -9.043 1.00 0.00 H new ATOM 0 HA ALA A 43 8.213 0.057 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.658 -0.357 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.000 -0.042 -8.859 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.897 1.233 -8.000 1.00 0.00 H new ATOM 642 N GLU A 44 9.492 2.706 -5.758 1.00 0.00 N ATOM 643 CA GLU A 44 9.769 3.328 -4.475 1.00 0.00 C ATOM 644 C GLU A 44 8.494 3.516 -3.658 1.00 0.00 C ATOM 645 O GLU A 44 8.368 2.985 -2.553 1.00 0.00 O ATOM 646 CB GLU A 44 10.446 4.673 -4.695 1.00 0.00 C ATOM 647 CG GLU A 44 10.899 5.349 -3.415 1.00 0.00 C ATOM 648 CD GLU A 44 11.394 4.381 -2.352 1.00 0.00 C ATOM 649 OE1 GLU A 44 12.500 3.827 -2.524 1.00 0.00 O ATOM 650 OE2 GLU A 44 10.678 4.184 -1.348 1.00 0.00 O ATOM 0 H GLU A 44 9.570 3.335 -6.557 1.00 0.00 H new ATOM 0 HA GLU A 44 10.431 2.669 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.309 4.532 -5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.756 5.334 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.696 6.055 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.070 5.928 -3.008 1.00 0.00 H new ATOM 657 N THR A 45 7.552 4.273 -4.208 1.00 0.00 N ATOM 658 CA THR A 45 6.294 4.544 -3.524 1.00 0.00 C ATOM 659 C THR A 45 5.454 3.279 -3.395 1.00 0.00 C ATOM 660 O THR A 45 4.728 3.102 -2.419 1.00 0.00 O ATOM 661 CB THR A 45 5.504 5.618 -4.271 1.00 0.00 C ATOM 662 OG1 THR A 45 6.354 6.364 -5.124 1.00 0.00 O ATOM 663 CG2 THR A 45 4.802 6.592 -3.352 1.00 0.00 C ATOM 0 H THR A 45 7.636 4.710 -5.126 1.00 0.00 H new ATOM 0 HA THR A 45 6.529 4.903 -2.522 1.00 0.00 H new ATOM 0 HB THR A 45 4.750 5.077 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.883 7.165 -5.436 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.260 7.327 -3.947 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.101 6.052 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.538 7.100 -2.729 1.00 0.00 H new ATOM 671 N SER A 46 5.557 2.396 -4.380 1.00 0.00 N ATOM 672 CA SER A 46 4.799 1.154 -4.362 1.00 0.00 C ATOM 673 C SER A 46 5.118 0.349 -3.107 1.00 0.00 C ATOM 674 O SER A 46 4.223 -0.208 -2.474 1.00 0.00 O ATOM 675 CB SER A 46 5.103 0.322 -5.611 1.00 0.00 C ATOM 676 OG SER A 46 4.004 -0.504 -5.953 1.00 0.00 O ATOM 0 H SER A 46 6.155 2.517 -5.197 1.00 0.00 H new ATOM 0 HA SER A 46 3.738 1.403 -4.356 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.338 0.984 -6.445 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.985 -0.294 -5.436 1.00 0.00 H new ATOM 0 HG SER A 46 3.352 -0.500 -5.221 1.00 0.00 H new ATOM 682 N LYS A 47 6.399 0.302 -2.749 1.00 0.00 N ATOM 683 CA LYS A 47 6.844 -0.427 -1.567 1.00 0.00 C ATOM 684 C LYS A 47 6.224 0.145 -0.295 1.00 0.00 C ATOM 685 O LYS A 47 5.597 -0.577 0.480 1.00 0.00 O ATOM 686 CB LYS A 47 8.369 -0.392 -1.471 1.00 0.00 C ATOM 687 CG LYS A 47 8.947 -1.470 -0.585 1.00 0.00 C ATOM 688 CD LYS A 47 8.500 -1.275 0.837 1.00 0.00 C ATOM 689 CE LYS A 47 9.337 -2.088 1.808 1.00 0.00 C ATOM 690 NZ LYS A 47 10.368 -1.255 2.486 1.00 0.00 N ATOM 0 H LYS A 47 7.149 0.763 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 47 6.514 -1.461 -1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.789 -0.492 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.678 0.582 -1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.631 -2.451 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.036 -1.448 -0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.566 -0.218 1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.453 -1.562 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.687 -2.541 2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.824 -2.903 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.918 -1.848 3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.004 -0.843 1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.903 -0.492 3.018 1.00 0.00 H new ATOM 704 N LEU A 48 6.407 1.441 -0.076 1.00 0.00 N ATOM 705 CA LEU A 48 5.875 2.082 1.121 1.00 0.00 C ATOM 706 C LEU A 48 4.350 2.019 1.142 1.00 0.00 C ATOM 707 O LEU A 48 3.738 1.947 2.208 1.00 0.00 O ATOM 708 CB LEU A 48 6.352 3.537 1.210 1.00 0.00 C ATOM 709 CG LEU A 48 5.582 4.537 0.345 1.00 0.00 C ATOM 710 CD1 LEU A 48 4.458 5.176 1.143 1.00 0.00 C ATOM 711 CD2 LEU A 48 6.521 5.601 -0.200 1.00 0.00 C ATOM 0 H LEU A 48 6.914 2.064 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 48 6.250 1.540 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.289 3.859 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.404 3.574 0.928 1.00 0.00 H new ATOM 0 HG LEU A 48 5.144 4.000 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.921 5.884 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.771 4.403 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.875 5.700 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.957 6.304 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.987 6.134 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.293 5.128 -0.807 1.00 0.00 H new ATOM 723 N ILE A 49 3.741 2.046 -0.040 1.00 0.00 N ATOM 724 CA ILE A 49 2.287 1.989 -0.148 1.00 0.00 C ATOM 725 C ILE A 49 1.751 0.606 0.243 1.00 0.00 C ATOM 726 O ILE A 49 1.011 0.478 1.218 1.00 0.00 O ATOM 727 CB ILE A 49 1.812 2.367 -1.573 1.00 0.00 C ATOM 728 CG1 ILE A 49 2.096 3.847 -1.839 1.00 0.00 C ATOM 729 CG2 ILE A 49 0.326 2.084 -1.760 1.00 0.00 C ATOM 730 CD1 ILE A 49 2.087 4.211 -3.307 1.00 0.00 C ATOM 0 H ILE A 49 4.230 2.107 -0.933 1.00 0.00 H new ATOM 0 HA ILE A 49 1.884 2.721 0.552 1.00 0.00 H new ATOM 0 HB ILE A 49 2.363 1.753 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.352 4.450 -1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.067 4.104 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.027 2.361 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.135 1.022 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.249 2.666 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.296 5.275 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.850 3.634 -3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.109 3.986 -3.732 1.00 0.00 H new ATOM 742 N TYR A 50 2.108 -0.427 -0.518 1.00 0.00 N ATOM 743 CA TYR A 50 1.616 -1.771 -0.226 1.00 0.00 C ATOM 744 C TYR A 50 1.913 -2.134 1.230 1.00 0.00 C ATOM 745 O TYR A 50 1.088 -2.743 1.909 1.00 0.00 O ATOM 746 CB TYR A 50 2.202 -2.811 -1.202 1.00 0.00 C ATOM 747 CG TYR A 50 3.480 -3.488 -0.746 1.00 0.00 C ATOM 748 CD1 TYR A 50 4.691 -2.816 -0.754 1.00 0.00 C ATOM 749 CD2 TYR A 50 3.466 -4.812 -0.324 1.00 0.00 C ATOM 750 CE1 TYR A 50 5.856 -3.438 -0.344 1.00 0.00 C ATOM 751 CE2 TYR A 50 4.623 -5.442 0.087 1.00 0.00 C ATOM 752 CZ TYR A 50 5.816 -4.751 0.075 1.00 0.00 C ATOM 753 OH TYR A 50 6.973 -5.376 0.482 1.00 0.00 O ATOM 0 H TYR A 50 2.725 -0.362 -1.327 1.00 0.00 H new ATOM 0 HA TYR A 50 0.535 -1.781 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.449 -3.579 -1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.392 -2.321 -2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.726 -1.789 -1.086 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.534 -5.357 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.792 -2.899 -0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.594 -6.470 0.416 1.00 0.00 H new ATOM 0 HH TYR A 50 7.389 -5.824 -0.284 1.00 0.00 H new ATOM 763 N ASP A 51 3.081 -1.718 1.712 1.00 0.00 N ATOM 764 CA ASP A 51 3.469 -1.972 3.093 1.00 0.00 C ATOM 765 C ASP A 51 2.399 -1.462 4.055 1.00 0.00 C ATOM 766 O ASP A 51 2.155 -2.062 5.102 1.00 0.00 O ATOM 767 CB ASP A 51 4.811 -1.304 3.400 1.00 0.00 C ATOM 768 CG ASP A 51 5.970 -2.281 3.343 1.00 0.00 C ATOM 769 OD1 ASP A 51 5.804 -3.363 2.741 1.00 0.00 O ATOM 770 OD2 ASP A 51 7.042 -1.964 3.898 1.00 0.00 O ATOM 0 H ASP A 51 3.773 -1.204 1.166 1.00 0.00 H new ATOM 0 HA ASP A 51 3.572 -3.049 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.984 -0.498 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.770 -0.851 4.390 1.00 0.00 H new ATOM 775 N PHE A 52 1.751 -0.358 3.686 1.00 0.00 N ATOM 776 CA PHE A 52 0.690 0.214 4.509 1.00 0.00 C ATOM 777 C PHE A 52 -0.481 -0.759 4.605 1.00 0.00 C ATOM 778 O PHE A 52 -1.184 -0.806 5.615 1.00 0.00 O ATOM 779 CB PHE A 52 0.225 1.555 3.929 1.00 0.00 C ATOM 780 CG PHE A 52 -1.018 2.103 4.569 1.00 0.00 C ATOM 781 CD1 PHE A 52 -0.956 2.745 5.794 1.00 0.00 C ATOM 782 CD2 PHE A 52 -2.245 1.990 3.936 1.00 0.00 C ATOM 783 CE1 PHE A 52 -2.097 3.252 6.383 1.00 0.00 C ATOM 784 CE2 PHE A 52 -3.391 2.498 4.519 1.00 0.00 C ATOM 785 CZ PHE A 52 -3.316 3.129 5.746 1.00 0.00 C ATOM 0 H PHE A 52 1.942 0.156 2.826 1.00 0.00 H new ATOM 0 HA PHE A 52 1.082 0.391 5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.028 2.284 4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.047 1.434 2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.005 2.850 6.294 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.307 1.499 2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.036 3.745 7.342 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.342 2.402 4.017 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.209 3.525 6.206 1.00 0.00 H new ATOM 795 N ILE A 53 -0.670 -1.547 3.553 1.00 0.00 N ATOM 796 CA ILE A 53 -1.724 -2.554 3.535 1.00 0.00 C ATOM 797 C ILE A 53 -1.430 -3.637 4.569 1.00 0.00 C ATOM 798 O ILE A 53 -2.342 -4.247 5.127 1.00 0.00 O ATOM 799 CB ILE A 53 -1.863 -3.192 2.136 1.00 0.00 C ATOM 800 CG1 ILE A 53 -2.253 -2.122 1.113 1.00 0.00 C ATOM 801 CG2 ILE A 53 -2.888 -4.319 2.144 1.00 0.00 C ATOM 802 CD1 ILE A 53 -2.525 -2.673 -0.268 1.00 0.00 C ATOM 0 H ILE A 53 -0.108 -1.508 2.703 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.665 -2.062 3.781 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.900 -3.620 1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.141 -1.599 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.453 -1.384 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.964 -4.749 1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.575 -5.090 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.859 -3.926 2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.795 -1.857 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.631 -3.171 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.345 -3.389 -0.219 1.00 0.00 H new ATOM 814 N GLU A 54 -0.146 -3.843 4.842 1.00 0.00 N ATOM 815 CA GLU A 54 0.279 -4.834 5.821 1.00 0.00 C ATOM 816 C GLU A 54 -0.045 -4.370 7.238 1.00 0.00 C ATOM 817 O GLU A 54 -0.376 -5.179 8.105 1.00 0.00 O ATOM 818 CB GLU A 54 1.778 -5.100 5.685 1.00 0.00 C ATOM 819 CG GLU A 54 2.280 -6.224 6.575 1.00 0.00 C ATOM 820 CD GLU A 54 3.716 -6.606 6.277 1.00 0.00 C ATOM 821 OE1 GLU A 54 4.404 -5.831 5.579 1.00 0.00 O ATOM 822 OE2 GLU A 54 4.152 -7.681 6.739 1.00 0.00 O ATOM 0 H GLU A 54 0.619 -3.335 4.398 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.265 -5.759 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.003 -5.343 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.324 -4.187 5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.198 -5.920 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.641 -7.098 6.446 1.00 0.00 H new ATOM 829 N ASP A 55 0.046 -3.062 7.467 1.00 0.00 N ATOM 830 CA ASP A 55 -0.255 -2.497 8.779 1.00 0.00 C ATOM 831 C ASP A 55 -1.752 -2.586 9.069 1.00 0.00 C ATOM 832 O ASP A 55 -2.170 -2.636 10.225 1.00 0.00 O ATOM 833 CB ASP A 55 0.232 -1.043 8.866 1.00 0.00 C ATOM 834 CG ASP A 55 -0.670 -0.061 8.140 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.873 0.004 8.472 1.00 0.00 O ATOM 836 OD2 ASP A 55 -0.167 0.659 7.255 1.00 0.00 O ATOM 0 H ASP A 55 0.324 -2.377 6.765 1.00 0.00 H new ATOM 0 HA ASP A 55 0.274 -3.078 9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.303 -0.753 9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.237 -0.979 8.449 1.00 0.00 H new ATOM 841 N GLN A 56 -2.550 -2.625 8.005 1.00 0.00 N ATOM 842 CA GLN A 56 -3.998 -2.732 8.134 1.00 0.00 C ATOM 843 C GLN A 56 -4.427 -4.186 8.328 1.00 0.00 C ATOM 844 O GLN A 56 -5.592 -4.462 8.612 1.00 0.00 O ATOM 845 CB GLN A 56 -4.680 -2.167 6.886 1.00 0.00 C ATOM 846 CG GLN A 56 -4.780 -0.652 6.872 1.00 0.00 C ATOM 847 CD GLN A 56 -4.850 -0.090 5.466 1.00 0.00 C ATOM 848 OE1 GLN A 56 -5.868 0.469 5.058 1.00 0.00 O ATOM 849 NE2 GLN A 56 -3.766 -0.243 4.715 1.00 0.00 N ATOM 0 H GLN A 56 -2.216 -2.584 7.042 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.299 -2.158 9.010 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.129 -2.493 6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.682 -2.588 6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.666 -0.344 7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.917 -0.229 7.387 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.944 -0.713 5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.755 0.110 3.758 1.00 0.00 H new ATOM 858 N GLY A 57 -3.485 -5.113 8.166 1.00 0.00 N ATOM 859 CA GLY A 57 -3.797 -6.522 8.301 1.00 0.00 C ATOM 860 C GLY A 57 -3.656 -7.261 6.984 1.00 0.00 C ATOM 861 O GLY A 57 -4.248 -8.323 6.790 1.00 0.00 O ATOM 0 H GLY A 57 -2.510 -4.910 7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.135 -6.971 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.815 -6.634 8.673 1.00 0.00 H new ATOM 865 N GLY A 58 -2.873 -6.690 6.072 1.00 0.00 N ATOM 866 CA GLY A 58 -2.667 -7.307 4.777 1.00 0.00 C ATOM 867 C GLY A 58 -3.771 -6.978 3.793 1.00 0.00 C ATOM 868 O GLY A 58 -4.793 -6.400 4.163 1.00 0.00 O ATOM 0 H GLY A 58 -2.378 -5.809 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.712 -6.977 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.605 -8.388 4.900 1.00 0.00 H new ATOM 872 N LEU A 59 -3.563 -7.351 2.536 1.00 0.00 N ATOM 873 CA LEU A 59 -4.542 -7.101 1.484 1.00 0.00 C ATOM 874 C LEU A 59 -5.942 -7.519 1.927 1.00 0.00 C ATOM 875 O LEU A 59 -6.921 -6.823 1.661 1.00 0.00 O ATOM 876 CB LEU A 59 -4.135 -7.858 0.212 1.00 0.00 C ATOM 877 CG LEU A 59 -5.254 -8.107 -0.806 1.00 0.00 C ATOM 878 CD1 LEU A 59 -5.732 -6.794 -1.406 1.00 0.00 C ATOM 879 CD2 LEU A 59 -4.778 -9.057 -1.893 1.00 0.00 C ATOM 0 H LEU A 59 -2.720 -7.830 2.219 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.564 -6.031 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.339 -7.299 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.715 -8.821 0.504 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.096 -8.570 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.526 -6.991 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.112 -6.149 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.901 -6.300 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.583 -9.224 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.921 -8.622 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.488 -10.007 -1.444 1.00 0.00 H new ATOM 891 N GLU A 60 -6.027 -8.661 2.594 1.00 0.00 N ATOM 892 CA GLU A 60 -7.307 -9.189 3.048 1.00 0.00 C ATOM 893 C GLU A 60 -7.954 -8.270 4.078 1.00 0.00 C ATOM 894 O GLU A 60 -9.176 -8.142 4.123 1.00 0.00 O ATOM 895 CB GLU A 60 -7.120 -10.586 3.640 1.00 0.00 C ATOM 896 CG GLU A 60 -6.364 -11.537 2.726 1.00 0.00 C ATOM 897 CD GLU A 60 -6.014 -12.845 3.406 1.00 0.00 C ATOM 898 OE1 GLU A 60 -4.960 -12.903 4.073 1.00 0.00 O ATOM 899 OE2 GLU A 60 -6.794 -13.811 3.274 1.00 0.00 O ATOM 0 H GLU A 60 -5.223 -9.241 2.834 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.969 -9.248 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.585 -10.502 4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.099 -11.011 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.968 -11.742 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.449 -11.054 2.383 1.00 0.00 H new ATOM 906 N ALA A 61 -7.131 -7.634 4.904 1.00 0.00 N ATOM 907 CA ALA A 61 -7.635 -6.739 5.939 1.00 0.00 C ATOM 908 C ALA A 61 -8.148 -5.429 5.351 1.00 0.00 C ATOM 909 O ALA A 61 -9.123 -4.860 5.843 1.00 0.00 O ATOM 910 CB ALA A 61 -6.556 -6.462 6.970 1.00 0.00 C ATOM 0 H ALA A 61 -6.115 -7.721 4.878 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.474 -7.238 6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.948 -5.792 7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.245 -7.399 7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.699 -5.995 6.484 1.00 0.00 H new ATOM 916 N VAL A 62 -7.484 -4.944 4.306 1.00 0.00 N ATOM 917 CA VAL A 62 -7.878 -3.690 3.677 1.00 0.00 C ATOM 918 C VAL A 62 -9.255 -3.814 3.039 1.00 0.00 C ATOM 919 O VAL A 62 -10.204 -3.154 3.461 1.00 0.00 O ATOM 920 CB VAL A 62 -6.859 -3.241 2.615 1.00 0.00 C ATOM 921 CG1 VAL A 62 -7.233 -1.874 2.062 1.00 0.00 C ATOM 922 CG2 VAL A 62 -5.458 -3.222 3.206 1.00 0.00 C ATOM 0 H VAL A 62 -6.676 -5.398 3.880 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.911 -2.936 4.463 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.874 -3.954 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.502 -1.572 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.221 -1.924 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.244 -1.145 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.746 -2.903 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.427 -2.528 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.195 -4.222 3.552 1.00 0.00 H new ATOM 932 N ARG A 63 -9.375 -4.680 2.039 1.00 0.00 N ATOM 933 CA ARG A 63 -10.664 -4.905 1.395 1.00 0.00 C ATOM 934 C ARG A 63 -11.718 -5.246 2.445 1.00 0.00 C ATOM 935 O ARG A 63 -12.867 -4.814 2.353 1.00 0.00 O ATOM 936 CB ARG A 63 -10.571 -6.024 0.353 1.00 0.00 C ATOM 937 CG ARG A 63 -9.607 -7.137 0.726 1.00 0.00 C ATOM 938 CD ARG A 63 -10.063 -8.476 0.170 1.00 0.00 C ATOM 939 NE ARG A 63 -10.249 -8.429 -1.277 1.00 0.00 N ATOM 940 CZ ARG A 63 -10.662 -9.464 -2.001 1.00 0.00 C ATOM 941 NH1 ARG A 63 -10.930 -10.622 -1.414 1.00 0.00 N ATOM 942 NH2 ARG A 63 -10.806 -9.340 -3.313 1.00 0.00 N ATOM 0 H ARG A 63 -8.605 -5.232 1.660 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.955 -3.989 0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.563 -6.451 0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.263 -5.594 -0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.613 -6.903 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.525 -7.201 1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.327 -9.241 0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.999 -8.768 0.647 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.051 -7.552 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.819 -10.720 -0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.247 -11.415 -1.972 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.600 -8.450 -3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.123 -10.134 -3.869 1.00 0.00 H new ATOM 956 N GLN A 64 -11.306 -6.013 3.453 1.00 0.00 N ATOM 957 CA GLN A 64 -12.196 -6.393 4.545 1.00 0.00 C ATOM 958 C GLN A 64 -12.658 -5.168 5.327 1.00 0.00 C ATOM 959 O GLN A 64 -13.852 -4.988 5.567 1.00 0.00 O ATOM 960 CB GLN A 64 -11.495 -7.372 5.490 1.00 0.00 C ATOM 961 CG GLN A 64 -11.592 -8.823 5.049 1.00 0.00 C ATOM 962 CD GLN A 64 -10.718 -9.745 5.877 1.00 0.00 C ATOM 963 OE1 GLN A 64 -10.537 -9.536 7.076 1.00 0.00 O ATOM 964 NE2 GLN A 64 -10.169 -10.772 5.238 1.00 0.00 N ATOM 0 H GLN A 64 -10.359 -6.383 3.535 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.070 -6.877 4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.444 -7.096 5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.927 -7.275 6.486 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.629 -9.152 5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.304 -8.900 4.001 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -10.346 -10.907 4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.570 -11.426 5.743 1.00 0.00 H new ATOM 973 N GLU A 65 -11.704 -4.332 5.735 1.00 0.00 N ATOM 974 CA GLU A 65 -12.025 -3.134 6.503 1.00 0.00 C ATOM 975 C GLU A 65 -12.768 -2.123 5.633 1.00 0.00 C ATOM 976 O GLU A 65 -13.649 -1.407 6.109 1.00 0.00 O ATOM 977 CB GLU A 65 -10.750 -2.519 7.112 1.00 0.00 C ATOM 978 CG GLU A 65 -10.029 -1.518 6.223 1.00 0.00 C ATOM 979 CD GLU A 65 -10.664 -0.141 6.267 1.00 0.00 C ATOM 980 OE1 GLU A 65 -10.361 0.621 7.210 1.00 0.00 O ATOM 981 OE2 GLU A 65 -11.459 0.178 5.359 1.00 0.00 O ATOM 0 H GLU A 65 -10.710 -4.462 5.547 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.683 -3.416 7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.014 -2.026 8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.059 -3.325 7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.987 -1.444 6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.030 -1.882 5.196 1.00 0.00 H new ATOM 988 N MET A 66 -12.407 -2.072 4.354 1.00 0.00 N ATOM 989 CA MET A 66 -13.060 -1.171 3.415 1.00 0.00 C ATOM 990 C MET A 66 -14.544 -1.498 3.324 1.00 0.00 C ATOM 991 O MET A 66 -15.373 -0.624 3.072 1.00 0.00 O ATOM 992 CB MET A 66 -12.412 -1.277 2.033 1.00 0.00 C ATOM 993 CG MET A 66 -11.414 -0.167 1.744 1.00 0.00 C ATOM 994 SD MET A 66 -12.206 1.440 1.539 1.00 0.00 S ATOM 995 CE MET A 66 -11.333 2.069 0.106 1.00 0.00 C ATOM 0 H MET A 66 -11.667 -2.644 3.946 1.00 0.00 H new ATOM 0 HA MET A 66 -12.944 -0.149 3.775 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.907 -2.239 1.950 1.00 0.00 H new ATOM 0 HB3 MET A 66 -13.192 -1.260 1.272 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.692 -0.111 2.559 1.00 0.00 H new ATOM 0 HG3 MET A 66 -10.856 -0.411 0.840 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.161 3.139 0.226 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.376 1.556 0.009 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.930 1.896 -0.789 1.00 0.00 H new ATOM 1005 N ARG A 67 -14.868 -2.767 3.547 1.00 0.00 N ATOM 1006 CA ARG A 67 -16.249 -3.224 3.520 1.00 0.00 C ATOM 1007 C ARG A 67 -16.969 -2.814 4.799 1.00 0.00 C ATOM 1008 O ARG A 67 -18.118 -2.375 4.765 1.00 0.00 O ATOM 1009 CB ARG A 67 -16.293 -4.744 3.357 1.00 0.00 C ATOM 1010 CG ARG A 67 -15.735 -5.228 2.029 1.00 0.00 C ATOM 1011 CD ARG A 67 -16.824 -5.812 1.144 1.00 0.00 C ATOM 1012 NE ARG A 67 -16.292 -6.779 0.188 1.00 0.00 N ATOM 1013 CZ ARG A 67 -17.047 -7.648 -0.476 1.00 0.00 C ATOM 1014 NH1 ARG A 67 -18.359 -7.668 -0.288 1.00 0.00 N ATOM 1015 NH2 ARG A 67 -16.490 -8.497 -1.329 1.00 0.00 N ATOM 0 H ARG A 67 -14.188 -3.499 3.749 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.754 -2.761 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.730 -5.205 4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -17.325 -5.082 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.252 -4.399 1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.968 -5.982 2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.577 -6.295 1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.324 -5.007 0.605 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.286 -6.788 0.021 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -18.790 -7.016 0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.937 -8.336 -0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.481 -8.484 -1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -17.071 -9.163 -1.838 1.00 0.00 H new ATOM 1029 N ARG A 68 -16.274 -2.947 5.925 1.00 0.00 N ATOM 1030 CA ARG A 68 -16.832 -2.570 7.218 1.00 0.00 C ATOM 1031 C ARG A 68 -16.916 -1.052 7.341 1.00 0.00 C ATOM 1032 O ARG A 68 -17.821 -0.519 7.981 1.00 0.00 O ATOM 1033 CB ARG A 68 -15.976 -3.140 8.351 1.00 0.00 C ATOM 1034 CG ARG A 68 -16.290 -4.591 8.680 1.00 0.00 C ATOM 1035 CD ARG A 68 -15.044 -5.461 8.628 1.00 0.00 C ATOM 1036 NE ARG A 68 -14.695 -5.997 9.940 1.00 0.00 N ATOM 1037 CZ ARG A 68 -13.531 -6.577 10.213 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -12.608 -6.693 9.268 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -13.288 -7.041 11.431 1.00 0.00 N ATOM 0 H ARG A 68 -15.323 -3.313 5.967 1.00 0.00 H new ATOM 0 HA ARG A 68 -17.838 -2.983 7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.924 -3.058 8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -16.121 -2.534 9.245 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -16.735 -4.651 9.673 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -17.030 -4.972 7.976 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.205 -6.284 7.932 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.209 -4.876 8.242 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.383 -5.922 10.689 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.791 -6.337 8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.715 -7.138 9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.995 -6.953 12.161 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.394 -7.486 11.638 1.00 0.00 H new ATOM 1053 N GLN A 69 -15.966 -0.364 6.715 1.00 0.00 N ATOM 1054 CA GLN A 69 -15.935 1.094 6.735 1.00 0.00 C ATOM 1055 C GLN A 69 -16.872 1.675 5.680 1.00 0.00 C ATOM 1056 O GLN A 69 -17.287 2.830 5.774 1.00 0.00 O ATOM 1057 CB GLN A 69 -14.506 1.596 6.509 1.00 0.00 C ATOM 1058 CG GLN A 69 -13.864 2.179 7.757 1.00 0.00 C ATOM 1059 CD GLN A 69 -13.723 3.687 7.695 1.00 0.00 C ATOM 1060 OE1 GLN A 69 -14.137 4.399 8.609 1.00 0.00 O ATOM 1061 NE2 GLN A 69 -13.132 4.182 6.614 1.00 0.00 N ATOM 0 H GLN A 69 -15.207 -0.794 6.187 1.00 0.00 H new ATOM 0 HA GLN A 69 -16.277 1.428 7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.893 0.771 6.146 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.515 2.355 5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.462 1.910 8.627 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.880 1.732 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.804 3.555 5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.006 5.190 6.518 1.00 0.00 H new ATOM 1070 N GLY A 70 -17.211 0.864 4.682 1.00 0.00 N ATOM 1071 CA GLY A 70 -18.111 1.310 3.636 1.00 0.00 C ATOM 1072 C GLY A 70 -19.506 0.741 3.802 1.00 0.00 C ATOM 1073 O GLY A 70 -19.723 -0.455 3.606 1.00 0.00 O ATOM 0 H GLY A 70 -16.878 -0.095 4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.161 2.399 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.713 1.014 2.665 1.00 0.00 H new ATOM 1077 N GLY A 71 -20.455 1.600 4.166 1.00 0.00 N ATOM 1078 CA GLY A 71 -21.829 1.163 4.371 1.00 0.00 C ATOM 1079 C GLY A 71 -22.308 0.178 3.317 1.00 0.00 C ATOM 1080 O GLY A 71 -22.074 -1.025 3.432 1.00 0.00 O ATOM 0 H GLY A 71 -20.297 2.595 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -21.914 0.702 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -22.484 2.034 4.370 1.00 0.00 H new ATOM 1084 N SER A 72 -22.989 0.688 2.295 1.00 0.00 N ATOM 1085 CA SER A 72 -23.504 -0.159 1.225 1.00 0.00 C ATOM 1086 C SER A 72 -23.537 0.592 -0.103 1.00 0.00 C ATOM 1087 O SER A 72 -24.590 1.057 -0.538 1.00 0.00 O ATOM 1088 CB SER A 72 -24.907 -0.659 1.574 1.00 0.00 C ATOM 1089 OG SER A 72 -25.589 -1.115 0.419 1.00 0.00 O ATOM 0 H SER A 72 -23.196 1.681 2.186 1.00 0.00 H new ATOM 0 HA SER A 72 -22.834 -1.012 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 72 -24.837 -1.467 2.302 1.00 0.00 H new ATOM 0 HB3 SER A 72 -25.476 0.144 2.043 1.00 0.00 H new ATOM 0 HG SER A 72 -25.787 -0.354 -0.166 1.00 0.00 H new ATOM 1095 N GLY A 73 -22.379 0.696 -0.747 1.00 0.00 N ATOM 1096 CA GLY A 73 -22.298 1.384 -2.023 1.00 0.00 C ATOM 1097 C GLY A 73 -22.740 2.831 -1.933 1.00 0.00 C ATOM 1098 O GLY A 73 -23.899 3.115 -1.631 1.00 0.00 O ATOM 0 H GLY A 73 -21.495 0.316 -0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -21.272 1.343 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -22.918 0.863 -2.753 1.00 0.00 H new ATOM 1102 N GLY A 74 -21.815 3.748 -2.199 1.00 0.00 N ATOM 1103 CA GLY A 74 -22.134 5.162 -2.144 1.00 0.00 C ATOM 1104 C GLY A 74 -21.841 5.771 -0.787 1.00 0.00 C ATOM 1105 O GLY A 74 -21.445 6.933 -0.694 1.00 0.00 O ATOM 0 H GLY A 74 -20.850 3.536 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -21.562 5.690 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -23.188 5.303 -2.382 1.00 0.00 H new ATOM 1109 N SER A 75 -22.036 4.985 0.266 1.00 0.00 N ATOM 1110 CA SER A 75 -21.788 5.453 1.624 1.00 0.00 C ATOM 1111 C SER A 75 -20.381 5.081 2.078 1.00 0.00 C ATOM 1112 O SER A 75 -20.170 4.688 3.225 1.00 0.00 O ATOM 1113 CB SER A 75 -22.820 4.860 2.586 1.00 0.00 C ATOM 1114 OG SER A 75 -23.892 4.261 1.878 1.00 0.00 O ATOM 0 H SER A 75 -22.365 4.021 0.205 1.00 0.00 H new ATOM 0 HA SER A 75 -21.877 6.539 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 75 -22.342 4.117 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 75 -23.204 5.643 3.240 1.00 0.00 H new ATOM 0 HG SER A 75 -24.537 3.888 2.515 1.00 0.00 H new ATOM 1120 N GLN A 76 -19.420 5.208 1.168 1.00 0.00 N ATOM 1121 CA GLN A 76 -18.031 4.889 1.474 1.00 0.00 C ATOM 1122 C GLN A 76 -17.403 5.976 2.339 1.00 0.00 C ATOM 1123 O GLN A 76 -17.523 7.164 2.042 1.00 0.00 O ATOM 1124 CB GLN A 76 -17.229 4.721 0.182 1.00 0.00 C ATOM 1125 CG GLN A 76 -16.974 6.028 -0.549 1.00 0.00 C ATOM 1126 CD GLN A 76 -16.621 5.821 -2.009 1.00 0.00 C ATOM 1127 OE1 GLN A 76 -15.447 5.771 -2.375 1.00 0.00 O ATOM 1128 NE2 GLN A 76 -17.640 5.698 -2.852 1.00 0.00 N ATOM 0 H GLN A 76 -19.578 5.530 0.213 1.00 0.00 H new ATOM 0 HA GLN A 76 -18.012 3.951 2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -16.273 4.253 0.416 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -17.763 4.041 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -17.861 6.658 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -16.163 6.564 -0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -18.598 5.746 -2.505 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.465 5.556 -3.847 1.00 0.00 H new ATOM 1137 N SER A 77 -16.734 5.561 3.410 1.00 0.00 N ATOM 1138 CA SER A 77 -16.092 6.504 4.318 1.00 0.00 C ATOM 1139 C SER A 77 -14.575 6.360 4.277 1.00 0.00 C ATOM 1140 O SER A 77 -14.035 5.282 4.526 1.00 0.00 O ATOM 1141 CB SER A 77 -16.596 6.292 5.747 1.00 0.00 C ATOM 1142 OG SER A 77 -17.993 6.511 5.835 1.00 0.00 O ATOM 0 H SER A 77 -16.623 4.581 3.670 1.00 0.00 H new ATOM 0 HA SER A 77 -16.350 7.512 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 77 -16.363 5.278 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 77 -16.076 6.970 6.423 1.00 0.00 H new ATOM 0 HG SER A 77 -18.289 6.367 6.758 1.00 0.00 H new ATOM 1148 N SER A 78 -13.893 7.456 3.963 1.00 0.00 N ATOM 1149 CA SER A 78 -12.435 7.466 3.903 1.00 0.00 C ATOM 1150 C SER A 78 -11.826 7.950 5.221 1.00 0.00 C ATOM 1151 O SER A 78 -10.613 7.882 5.411 1.00 0.00 O ATOM 1152 CB SER A 78 -11.962 8.360 2.755 1.00 0.00 C ATOM 1153 OG SER A 78 -12.374 9.702 2.949 1.00 0.00 O ATOM 0 H SER A 78 -14.328 8.352 3.745 1.00 0.00 H new ATOM 0 HA SER A 78 -12.101 6.443 3.729 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.875 8.317 2.681 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.361 7.987 1.812 1.00 0.00 H new ATOM 0 HG SER A 78 -12.058 10.253 2.203 1.00 0.00 H new ATOM 1159 N GLU A 79 -12.671 8.401 6.149 1.00 0.00 N ATOM 1160 CA GLU A 79 -12.191 8.902 7.430 1.00 0.00 C ATOM 1161 C GLU A 79 -11.700 7.761 8.311 1.00 0.00 C ATOM 1162 O GLU A 79 -12.494 7.033 8.907 1.00 0.00 O ATOM 1163 CB GLU A 79 -13.302 9.672 8.149 1.00 0.00 C ATOM 1164 CG GLU A 79 -14.083 10.609 7.241 1.00 0.00 C ATOM 1165 CD GLU A 79 -15.415 10.027 6.808 1.00 0.00 C ATOM 1166 OE1 GLU A 79 -16.354 10.015 7.632 1.00 0.00 O ATOM 1167 OE2 GLU A 79 -15.519 9.585 5.645 1.00 0.00 O ATOM 0 H GLU A 79 -13.684 8.428 6.036 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.355 9.575 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.992 8.959 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.863 10.250 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.254 11.552 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.485 10.835 6.358 1.00 0.00 H new ATOM 1174 N GLY A 80 -10.381 7.610 8.384 1.00 0.00 N ATOM 1175 CA GLY A 80 -9.794 6.555 9.187 1.00 0.00 C ATOM 1176 C GLY A 80 -8.565 5.951 8.537 1.00 0.00 C ATOM 1177 O GLY A 80 -7.459 6.473 8.678 1.00 0.00 O ATOM 0 H GLY A 80 -9.707 8.202 7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.526 6.953 10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.535 5.773 9.353 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.761 4.851 7.820 1.00 0.00 N ATOM 1182 CA LEU A 81 -7.660 4.168 7.150 1.00 0.00 C ATOM 1183 C LEU A 81 -7.016 5.058 6.091 1.00 0.00 C ATOM 1184 O LEU A 81 -5.793 5.084 5.953 1.00 0.00 O ATOM 1185 CB LEU A 81 -8.149 2.863 6.515 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.025 3.025 5.270 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -9.131 1.704 4.523 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.407 3.534 5.648 1.00 0.00 C ATOM 0 H LEU A 81 -9.672 4.412 7.687 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.905 3.937 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.280 2.260 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.711 2.303 7.263 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.558 3.760 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.757 1.834 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.137 1.378 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.576 0.952 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.013 3.642 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.884 2.824 6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.316 4.501 6.143 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.841 5.782 5.341 1.00 0.00 N ATOM 1201 CA VAL A 82 -7.340 6.668 4.296 1.00 0.00 C ATOM 1202 C VAL A 82 -6.492 7.788 4.887 1.00 0.00 C ATOM 1203 O VAL A 82 -5.587 8.306 4.232 1.00 0.00 O ATOM 1204 CB VAL A 82 -8.485 7.293 3.481 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -7.951 7.926 2.207 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -9.550 6.254 3.165 1.00 0.00 C ATOM 0 H VAL A 82 -8.856 5.773 5.437 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.728 6.054 3.635 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.946 8.077 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.776 8.363 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.233 8.705 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.461 7.165 1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.350 6.717 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.107 5.444 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.957 5.855 4.094 1.00 0.00 H new ATOM 1216 N GLY A 83 -6.790 8.159 6.127 1.00 0.00 N ATOM 1217 CA GLY A 83 -6.049 9.221 6.778 1.00 0.00 C ATOM 1218 C GLY A 83 -4.619 8.824 7.077 1.00 0.00 C ATOM 1219 O GLY A 83 -3.704 9.639 6.964 1.00 0.00 O ATOM 0 H GLY A 83 -7.531 7.743 6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.053 10.106 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.550 9.494 7.707 1.00 0.00 H new ATOM 1223 N ALA A 84 -4.423 7.563 7.448 1.00 0.00 N ATOM 1224 CA ALA A 84 -3.091 7.055 7.744 1.00 0.00 C ATOM 1225 C ALA A 84 -2.213 7.085 6.497 1.00 0.00 C ATOM 1226 O ALA A 84 -1.074 7.550 6.537 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.177 5.645 8.305 1.00 0.00 C ATOM 0 H ALA A 84 -5.170 6.876 7.550 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.635 7.700 8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.174 5.278 8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.766 5.654 9.222 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.653 4.991 7.574 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.758 6.598 5.386 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.036 6.588 4.119 1.00 0.00 C ATOM 1235 C LEU A 85 -1.538 7.984 3.779 1.00 0.00 C ATOM 1236 O LEU A 85 -0.364 8.179 3.463 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.944 6.079 2.998 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.228 5.632 1.717 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -0.945 4.877 2.038 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -3.152 4.772 0.868 1.00 0.00 C ATOM 0 H LEU A 85 -3.698 6.205 5.338 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.179 5.921 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.526 5.240 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.651 6.868 2.741 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.959 6.524 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.460 4.573 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.274 5.524 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.181 3.993 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.631 4.462 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.451 3.890 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.038 5.347 0.598 1.00 0.00 H new ATOM 1252 N MET A 86 -2.438 8.957 3.863 1.00 0.00 N ATOM 1253 CA MET A 86 -2.095 10.344 3.573 1.00 0.00 C ATOM 1254 C MET A 86 -0.857 10.762 4.357 1.00 0.00 C ATOM 1255 O MET A 86 -0.061 11.579 3.894 1.00 0.00 O ATOM 1256 CB MET A 86 -3.266 11.265 3.917 1.00 0.00 C ATOM 1257 CG MET A 86 -4.374 11.252 2.879 1.00 0.00 C ATOM 1258 SD MET A 86 -5.469 12.678 3.014 1.00 0.00 S ATOM 1259 CE MET A 86 -7.014 11.879 3.442 1.00 0.00 C ATOM 0 H MET A 86 -3.412 8.811 4.130 1.00 0.00 H new ATOM 0 HA MET A 86 -1.881 10.429 2.508 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.679 10.969 4.881 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.896 12.284 4.028 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.933 11.231 1.883 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.958 10.338 2.988 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.818 12.615 3.438 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.234 11.098 2.714 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.932 11.437 4.435 1.00 0.00 H new ATOM 1269 N HIS A 87 -0.695 10.182 5.541 1.00 0.00 N ATOM 1270 CA HIS A 87 0.462 10.465 6.378 1.00 0.00 C ATOM 1271 C HIS A 87 1.676 9.697 5.876 1.00 0.00 C ATOM 1272 O HIS A 87 2.790 10.220 5.849 1.00 0.00 O ATOM 1273 CB HIS A 87 0.170 10.088 7.831 1.00 0.00 C ATOM 1274 CG HIS A 87 0.522 11.163 8.811 1.00 0.00 C ATOM 1275 ND1 HIS A 87 0.228 12.495 8.605 1.00 0.00 N ATOM 1276 CD2 HIS A 87 1.152 11.099 10.008 1.00 0.00 C ATOM 1277 CE1 HIS A 87 0.661 13.203 9.634 1.00 0.00 C ATOM 1278 NE2 HIS A 87 1.224 12.380 10.497 1.00 0.00 N ATOM 0 H HIS A 87 -1.352 9.512 5.942 1.00 0.00 H new ATOM 0 HA HIS A 87 0.674 11.533 6.327 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.889 9.850 7.930 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.725 9.184 8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.527 10.207 10.488 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.569 14.273 9.748 1.00 0.00 H new ATOM 0 HE2 HIS A 87 1.645 12.652 11.385 1.00 0.00 H new ATOM 1287 N VAL A 88 1.449 8.455 5.466 1.00 0.00 N ATOM 1288 CA VAL A 88 2.517 7.625 4.929 1.00 0.00 C ATOM 1289 C VAL A 88 3.181 8.321 3.748 1.00 0.00 C ATOM 1290 O VAL A 88 4.402 8.289 3.600 1.00 0.00 O ATOM 1291 CB VAL A 88 1.988 6.251 4.477 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.120 5.397 3.930 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.284 5.546 5.626 1.00 0.00 C ATOM 0 H VAL A 88 0.536 8.002 5.496 1.00 0.00 H new ATOM 0 HA VAL A 88 3.246 7.471 5.725 1.00 0.00 H new ATOM 0 HB VAL A 88 1.263 6.406 3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.727 4.430 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.575 5.899 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.871 5.249 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.917 4.577 5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.985 5.402 6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.445 6.153 5.966 1.00 0.00 H new ATOM 1303 N MET A 89 2.364 8.953 2.912 1.00 0.00 N ATOM 1304 CA MET A 89 2.870 9.685 1.760 1.00 0.00 C ATOM 1305 C MET A 89 3.730 10.857 2.218 1.00 0.00 C ATOM 1306 O MET A 89 4.766 11.153 1.623 1.00 0.00 O ATOM 1307 CB MET A 89 1.712 10.187 0.896 1.00 0.00 C ATOM 1308 CG MET A 89 1.110 9.113 0.005 1.00 0.00 C ATOM 1309 SD MET A 89 1.756 9.164 -1.677 1.00 0.00 S ATOM 1310 CE MET A 89 2.299 7.470 -1.882 1.00 0.00 C ATOM 0 H MET A 89 1.349 8.972 3.012 1.00 0.00 H new ATOM 0 HA MET A 89 3.483 9.011 1.162 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.933 10.589 1.544 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.064 11.009 0.273 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.311 8.133 0.438 1.00 0.00 H new ATOM 0 HG3 MET A 89 0.027 9.234 -0.022 1.00 0.00 H new ATOM 0 HE1 MET A 89 2.236 7.192 -2.934 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.331 7.375 -1.543 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.662 6.810 -1.294 1.00 0.00 H new ATOM 1320 N GLN A 90 3.295 11.514 3.290 1.00 0.00 N ATOM 1321 CA GLN A 90 4.036 12.633 3.856 1.00 0.00 C ATOM 1322 C GLN A 90 5.445 12.205 4.256 1.00 0.00 C ATOM 1323 O GLN A 90 6.355 13.029 4.352 1.00 0.00 O ATOM 1324 CB GLN A 90 3.301 13.195 5.050 1.00 0.00 C ATOM 1325 CG GLN A 90 2.188 14.131 4.644 1.00 0.00 C ATOM 1326 CD GLN A 90 2.696 15.471 4.129 1.00 0.00 C ATOM 1327 OE1 GLN A 90 2.773 16.440 4.885 1.00 0.00 O ATOM 1328 NE2 GLN A 90 3.046 15.544 2.845 1.00 0.00 N ATOM 0 H GLN A 90 2.431 11.289 3.784 1.00 0.00 H new ATOM 0 HA GLN A 90 4.118 13.409 3.095 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.888 12.376 5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.005 13.726 5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.585 13.656 3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.534 14.301 5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.969 14.721 2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.391 16.423 2.460 1.00 0.00 H new ATOM 1337 N LYS A 91 5.616 10.903 4.462 1.00 0.00 N ATOM 1338 CA LYS A 91 6.898 10.343 4.851 1.00 0.00 C ATOM 1339 C LYS A 91 7.908 10.452 3.720 1.00 0.00 C ATOM 1340 O LYS A 91 8.958 11.078 3.862 1.00 0.00 O ATOM 1341 CB LYS A 91 6.705 8.875 5.208 1.00 0.00 C ATOM 1342 CG LYS A 91 7.648 8.381 6.276 1.00 0.00 C ATOM 1343 CD LYS A 91 6.963 8.348 7.629 1.00 0.00 C ATOM 1344 CE LYS A 91 7.670 7.410 8.591 1.00 0.00 C ATOM 1345 NZ LYS A 91 7.148 7.542 9.979 1.00 0.00 N ATOM 0 H LYS A 91 4.872 10.213 4.364 1.00 0.00 H new ATOM 0 HA LYS A 91 7.278 10.901 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.679 8.724 5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.839 8.271 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.004 7.383 6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.523 9.029 6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.940 9.353 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.928 8.031 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.546 6.381 8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.739 7.621 8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.656 6.885 10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.290 8.517 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.133 7.316 9.991 1.00 0.00 H new ATOM 1359 N ARG A 92 7.547 9.886 2.579 1.00 0.00 N ATOM 1360 CA ARG A 92 8.402 9.905 1.405 1.00 0.00 C ATOM 1361 C ARG A 92 8.502 11.313 0.832 1.00 0.00 C ATOM 1362 O ARG A 92 9.492 11.665 0.190 1.00 0.00 O ATOM 1363 CB ARG A 92 7.839 8.959 0.351 1.00 0.00 C ATOM 1364 CG ARG A 92 8.624 8.954 -0.944 1.00 0.00 C ATOM 1365 CD ARG A 92 9.368 7.644 -1.137 1.00 0.00 C ATOM 1366 NE ARG A 92 10.648 7.837 -1.812 1.00 0.00 N ATOM 1367 CZ ARG A 92 10.764 8.243 -3.072 1.00 0.00 C ATOM 1368 NH1 ARG A 92 9.680 8.490 -3.795 1.00 0.00 N ATOM 1369 NH2 ARG A 92 11.964 8.391 -3.615 1.00 0.00 N ATOM 0 H ARG A 92 6.659 9.404 2.442 1.00 0.00 H new ATOM 0 HA ARG A 92 9.401 9.580 1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.819 7.948 0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.807 9.238 0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.947 9.116 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.334 9.781 -0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.536 7.176 -0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.751 6.959 -1.718 1.00 0.00 H new ATOM 0 HE ARG A 92 11.502 7.650 -1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.754 8.368 -3.384 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.772 8.802 -4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.800 8.193 -3.066 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.051 8.703 -4.582 1.00 0.00 H new ATOM 1383 N SER A 93 7.484 12.122 1.097 1.00 0.00 N ATOM 1384 CA SER A 93 7.467 13.503 0.629 1.00 0.00 C ATOM 1385 C SER A 93 8.438 14.344 1.447 1.00 0.00 C ATOM 1386 O SER A 93 9.029 15.300 0.944 1.00 0.00 O ATOM 1387 CB SER A 93 6.056 14.085 0.736 1.00 0.00 C ATOM 1388 OG SER A 93 5.087 13.172 0.252 1.00 0.00 O ATOM 0 H SER A 93 6.661 11.847 1.632 1.00 0.00 H new ATOM 0 HA SER A 93 7.775 13.519 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.840 14.332 1.775 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.999 15.014 0.169 1.00 0.00 H new ATOM 0 HG SER A 93 4.844 12.545 0.965 1.00 0.00 H new ATOM 1394 N ARG A 94 8.613 13.963 2.708 1.00 0.00 N ATOM 1395 CA ARG A 94 9.536 14.652 3.599 1.00 0.00 C ATOM 1396 C ARG A 94 10.675 13.724 4.015 1.00 0.00 C ATOM 1397 O ARG A 94 11.296 13.916 5.060 1.00 0.00 O ATOM 1398 CB ARG A 94 8.799 15.156 4.841 1.00 0.00 C ATOM 1399 CG ARG A 94 8.018 16.439 4.608 1.00 0.00 C ATOM 1400 CD ARG A 94 6.563 16.151 4.273 1.00 0.00 C ATOM 1401 NE ARG A 94 5.745 15.990 5.472 1.00 0.00 N ATOM 1402 CZ ARG A 94 5.238 17.007 6.160 1.00 0.00 C ATOM 1403 NH1 ARG A 94 5.463 18.254 5.770 1.00 0.00 N ATOM 1404 NH2 ARG A 94 4.504 16.778 7.241 1.00 0.00 N ATOM 0 H ARG A 94 8.125 13.177 3.136 1.00 0.00 H new ATOM 0 HA ARG A 94 9.955 15.504 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.114 14.381 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.522 15.321 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.071 17.065 5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.475 17.002 3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.163 16.965 3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.503 15.246 3.669 1.00 0.00 H new ATOM 0 HE ARG A 94 5.552 15.043 5.800 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.027 18.435 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.072 19.033 6.300 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.328 15.820 7.545 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.115 17.560 7.768 1.00 0.00 H new ATOM 1418 N ALA A 95 10.937 12.713 3.190 1.00 0.00 N ATOM 1419 CA ALA A 95 11.991 11.746 3.473 1.00 0.00 C ATOM 1420 C ALA A 95 13.369 12.348 3.238 1.00 0.00 C ATOM 1421 O ALA A 95 13.565 13.141 2.317 1.00 0.00 O ATOM 1422 CB ALA A 95 11.804 10.498 2.622 1.00 0.00 C ATOM 0 H ALA A 95 10.433 12.543 2.320 1.00 0.00 H new ATOM 0 HA ALA A 95 11.922 11.469 4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.598 9.784 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.837 10.047 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.843 10.768 1.567 1.00 0.00 H new ATOM 1428 N ILE A 96 14.321 11.973 4.086 1.00 0.00 N ATOM 1429 CA ILE A 96 15.685 12.463 3.965 1.00 0.00 C ATOM 1430 C ILE A 96 16.596 11.372 3.419 1.00 0.00 C ATOM 1431 O ILE A 96 17.047 10.499 4.160 1.00 0.00 O ATOM 1432 CB ILE A 96 16.231 12.958 5.322 1.00 0.00 C ATOM 1433 CG1 ILE A 96 17.703 13.375 5.203 1.00 0.00 C ATOM 1434 CG2 ILE A 96 16.068 11.879 6.380 1.00 0.00 C ATOM 1435 CD1 ILE A 96 18.013 14.193 3.967 1.00 0.00 C ATOM 0 H ILE A 96 14.171 11.331 4.864 1.00 0.00 H new ATOM 0 HA ILE A 96 15.669 13.304 3.272 1.00 0.00 H new ATOM 0 HB ILE A 96 15.656 13.834 5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 96 17.979 13.951 6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 96 18.325 12.480 5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.457 12.241 7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.012 11.633 6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 96 16.618 10.988 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 96 19.073 14.448 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.770 13.613 3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.420 15.107 3.978 1.00 0.00 H new ATOM 1447 N HIS A 97 16.866 11.436 2.118 1.00 0.00 N ATOM 1448 CA HIS A 97 17.717 10.451 1.448 1.00 0.00 C ATOM 1449 C HIS A 97 18.918 10.066 2.309 1.00 0.00 C ATOM 1450 O HIS A 97 19.958 10.725 2.277 1.00 0.00 O ATOM 1451 CB HIS A 97 18.199 10.999 0.103 1.00 0.00 C ATOM 1452 CG HIS A 97 18.086 10.014 -1.019 1.00 0.00 C ATOM 1453 ND1 HIS A 97 17.369 10.263 -2.171 1.00 0.00 N ATOM 1454 CD2 HIS A 97 18.606 8.772 -1.162 1.00 0.00 C ATOM 1455 CE1 HIS A 97 17.453 9.217 -2.973 1.00 0.00 C ATOM 1456 NE2 HIS A 97 18.197 8.299 -2.384 1.00 0.00 N ATOM 0 H HIS A 97 16.506 12.164 1.501 1.00 0.00 H new ATOM 0 HA HIS A 97 17.118 9.555 1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 97 17.621 11.889 -0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 97 19.239 11.311 0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 97 19.227 8.251 -0.448 1.00 0.00 H new ATOM 0 HE1 HIS A 97 16.992 9.128 -3.945 1.00 0.00 H new ATOM 0 HE2 HIS A 97 18.430 7.386 -2.774 1.00 0.00 H new ATOM 1465 N SER A 98 18.761 8.997 3.081 1.00 0.00 N ATOM 1466 CA SER A 98 19.819 8.528 3.965 1.00 0.00 C ATOM 1467 C SER A 98 20.768 7.585 3.232 1.00 0.00 C ATOM 1468 O SER A 98 20.424 6.437 2.950 1.00 0.00 O ATOM 1469 CB SER A 98 19.211 7.824 5.180 1.00 0.00 C ATOM 1470 OG SER A 98 19.005 6.446 4.922 1.00 0.00 O ATOM 0 H SER A 98 17.908 8.438 3.112 1.00 0.00 H new ATOM 0 HA SER A 98 20.392 9.392 4.300 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.871 7.941 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.262 8.294 5.439 1.00 0.00 H new ATOM 0 HG SER A 98 19.114 6.273 3.964 1.00 0.00 H new ATOM 1476 N SER A 99 21.963 8.078 2.926 1.00 0.00 N ATOM 1477 CA SER A 99 22.964 7.282 2.225 1.00 0.00 C ATOM 1478 C SER A 99 23.882 6.570 3.213 1.00 0.00 C ATOM 1479 O SER A 99 23.547 6.418 4.388 1.00 0.00 O ATOM 1480 CB SER A 99 23.790 8.173 1.295 1.00 0.00 C ATOM 1481 OG SER A 99 23.737 7.703 -0.041 1.00 0.00 O ATOM 0 H SER A 99 22.262 9.026 3.153 1.00 0.00 H new ATOM 0 HA SER A 99 22.445 6.529 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 99 23.416 9.196 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 99 24.825 8.197 1.635 1.00 0.00 H new ATOM 0 HG SER A 99 24.271 8.290 -0.616 1.00 0.00 H new ATOM 1487 N ASP A 100 25.044 6.138 2.732 1.00 0.00 N ATOM 1488 CA ASP A 100 26.009 5.443 3.575 1.00 0.00 C ATOM 1489 C ASP A 100 25.462 4.093 4.029 1.00 0.00 C ATOM 1490 O ASP A 100 25.783 3.616 5.117 1.00 0.00 O ATOM 1491 CB ASP A 100 26.360 6.299 4.794 1.00 0.00 C ATOM 1492 CG ASP A 100 27.855 6.396 5.022 1.00 0.00 C ATOM 1493 OD1 ASP A 100 28.594 6.608 4.038 1.00 0.00 O ATOM 1494 OD2 ASP A 100 28.288 6.261 6.186 1.00 0.00 O ATOM 0 H ASP A 100 25.339 6.257 1.763 1.00 0.00 H new ATOM 0 HA ASP A 100 26.911 5.271 2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.950 7.300 4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.887 5.876 5.680 1.00 0.00 H new ATOM 1499 N GLU A 101 24.636 3.482 3.186 1.00 0.00 N ATOM 1500 CA GLU A 101 24.044 2.187 3.499 1.00 0.00 C ATOM 1501 C GLU A 101 23.663 1.441 2.225 1.00 0.00 C ATOM 1502 O GLU A 101 22.676 1.776 1.570 1.00 0.00 O ATOM 1503 CB GLU A 101 22.808 2.371 4.384 1.00 0.00 C ATOM 1504 CG GLU A 101 21.661 3.081 3.684 1.00 0.00 C ATOM 1505 CD GLU A 101 20.837 3.933 4.630 1.00 0.00 C ATOM 1506 OE1 GLU A 101 21.413 4.839 5.268 1.00 0.00 O ATOM 1507 OE2 GLU A 101 19.615 3.695 4.731 1.00 0.00 O ATOM 0 H GLU A 101 24.362 3.863 2.281 1.00 0.00 H new ATOM 0 HA GLU A 101 24.785 1.596 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.466 1.394 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.088 2.938 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.060 3.710 2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 101 21.015 2.341 3.212 1.00 0.00 H new ATOM 1514 N GLY A 102 24.452 0.429 1.877 1.00 0.00 N ATOM 1515 CA GLY A 102 24.179 -0.346 0.681 1.00 0.00 C ATOM 1516 C GLY A 102 24.566 -1.804 0.831 1.00 0.00 C ATOM 1517 O GLY A 102 23.863 -2.576 1.483 1.00 0.00 O ATOM 0 H GLY A 102 25.275 0.132 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 102 23.117 -0.278 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 102 24.722 0.086 -0.159 1.00 0.00 H new ATOM 1521 N GLU A 103 25.686 -2.182 0.224 1.00 0.00 N ATOM 1522 CA GLU A 103 26.164 -3.558 0.290 1.00 0.00 C ATOM 1523 C GLU A 103 27.197 -3.726 1.401 1.00 0.00 C ATOM 1524 O GLU A 103 28.378 -3.435 1.214 1.00 0.00 O ATOM 1525 CB GLU A 103 26.769 -3.973 -1.053 1.00 0.00 C ATOM 1526 CG GLU A 103 25.798 -4.723 -1.951 1.00 0.00 C ATOM 1527 CD GLU A 103 25.917 -4.316 -3.407 1.00 0.00 C ATOM 1528 OE1 GLU A 103 26.785 -4.874 -4.111 1.00 0.00 O ATOM 1529 OE2 GLU A 103 25.141 -3.440 -3.844 1.00 0.00 O ATOM 0 H GLU A 103 26.279 -1.555 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 103 25.313 -4.201 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 103 27.120 -3.083 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 103 27.641 -4.600 -0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 103 25.979 -5.794 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 103 24.779 -4.542 -1.609 1.00 0.00 H new ATOM 1536 N ASP A 104 26.742 -4.199 2.556 1.00 0.00 N ATOM 1537 CA ASP A 104 27.624 -4.406 3.698 1.00 0.00 C ATOM 1538 C ASP A 104 26.930 -5.226 4.781 1.00 0.00 C ATOM 1539 O ASP A 104 26.853 -4.809 5.936 1.00 0.00 O ATOM 1540 CB ASP A 104 28.074 -3.061 4.272 1.00 0.00 C ATOM 1541 CG ASP A 104 29.364 -2.568 3.647 1.00 0.00 C ATOM 1542 OD1 ASP A 104 30.417 -3.197 3.882 1.00 0.00 O ATOM 1543 OD2 ASP A 104 29.322 -1.551 2.923 1.00 0.00 O ATOM 0 H ASP A 104 25.767 -4.446 2.726 1.00 0.00 H new ATOM 0 HA ASP A 104 28.498 -4.958 3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 104 27.290 -2.321 4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 104 28.209 -3.156 5.350 1.00 0.00 H new ATOM 1548 N GLN A 105 26.424 -6.394 4.397 1.00 0.00 N ATOM 1549 CA GLN A 105 25.734 -7.272 5.334 1.00 0.00 C ATOM 1550 C GLN A 105 26.728 -8.004 6.229 1.00 0.00 C ATOM 1551 O GLN A 105 27.090 -9.151 5.964 1.00 0.00 O ATOM 1552 CB GLN A 105 24.873 -8.284 4.574 1.00 0.00 C ATOM 1553 CG GLN A 105 25.675 -9.219 3.684 1.00 0.00 C ATOM 1554 CD GLN A 105 25.317 -9.079 2.217 1.00 0.00 C ATOM 1555 OE1 GLN A 105 25.967 -8.344 1.475 1.00 0.00 O ATOM 1556 NE2 GLN A 105 24.276 -9.785 1.792 1.00 0.00 N ATOM 0 H GLN A 105 26.479 -6.754 3.444 1.00 0.00 H new ATOM 0 HA GLN A 105 25.092 -6.657 5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 105 24.306 -8.877 5.291 1.00 0.00 H new ATOM 0 HB3 GLN A 105 24.149 -7.746 3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 105 26.738 -9.017 3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 105 25.505 -10.249 3.999 1.00 0.00 H new ATOM 0 HE21 GLN A 105 23.765 -10.382 2.442 1.00 0.00 H new ATOM 0 HE22 GLN A 105 23.987 -9.730 0.815 1.00 0.00 H new ATOM 1565 N ALA A 106 27.166 -7.334 7.290 1.00 0.00 N ATOM 1566 CA ALA A 106 28.117 -7.923 8.226 1.00 0.00 C ATOM 1567 C ALA A 106 27.411 -8.840 9.219 1.00 0.00 C ATOM 1568 O ALA A 106 26.844 -8.378 10.210 1.00 0.00 O ATOM 1569 CB ALA A 106 28.880 -6.832 8.961 1.00 0.00 C ATOM 0 H ALA A 106 26.878 -6.384 7.523 1.00 0.00 H new ATOM 0 HA ALA A 106 28.826 -8.524 7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 106 29.586 -7.287 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 106 29.423 -6.220 8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 106 28.179 -6.207 9.513 1.00 0.00 H new ATOM 1575 N GLY A 107 27.449 -10.140 8.949 1.00 0.00 N ATOM 1576 CA GLY A 107 26.808 -11.100 9.828 1.00 0.00 C ATOM 1577 C GLY A 107 25.313 -10.874 9.939 1.00 0.00 C ATOM 1578 O GLY A 107 24.877 -10.261 10.936 1.00 0.00 O ATOM 1579 OXT GLY A 107 24.578 -11.307 9.026 1.00 0.00 O ATOM 0 H GLY A 107 27.913 -10.546 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 107 26.994 -12.108 9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 107 27.257 -11.037 10.819 1.00 0.00 H new TER 1583 GLY A 107