USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 772 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 35 GLN : amide:sc= -0.367 K(o=-0.76,f=0.55) USER MOD Set 1.2: A 37 LYS NZ :NH3+ 154:sc= -0.39 (180deg=0) USER MOD Set 2.1: A 23 MET CE :methyl -137:sc= -4.29! (180deg=-6.16!) USER MOD Set 2.2: A 86 THR OG1 : rot -117:sc= 0.993 USER MOD Single : A 1 GLY N :NH3+ -161:sc= 0 (180deg=-0.0188) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -61:sc= 0.0583 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.0016) USER MOD Single : A 21 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.4!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -1.8 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.48 K(o=-1.5,f=-4.5!) USER MOD Single : A 65 SER OG : rot 179:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.00204 USER MOD Single : A 76 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.02) USER MOD Single : A 83 MET CE :methyl -120:sc= -6.04! (180deg=-10.6!) USER MOD Single : A 84 THR OG1 : rot 76:sc= 0.451 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -122:sc= -0.196 (180deg=-2.75!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.792 -0.492 19.074 1.00 0.00 N ATOM 2 CA GLY A 1 15.880 0.055 18.281 1.00 0.00 C ATOM 3 C GLY A 1 15.839 -0.483 16.849 1.00 0.00 C ATOM 4 O GLY A 1 15.296 0.164 15.955 1.00 0.00 O ATOM 0 H1 GLY A 1 14.639 0.105 19.912 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.924 -0.516 18.502 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.034 -1.457 19.376 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.813 1.143 18.267 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.834 -0.200 18.742 1.00 0.00 H new ATOM 8 N PRO A 2 16.435 -1.692 16.672 1.00 0.00 N ATOM 9 CA PRO A 2 16.472 -2.324 15.364 1.00 0.00 C ATOM 10 C PRO A 2 15.105 -2.906 14.998 1.00 0.00 C ATOM 11 O PRO A 2 14.152 -2.791 15.767 1.00 0.00 O ATOM 12 CB PRO A 2 17.559 -3.382 15.469 1.00 0.00 C ATOM 13 CG PRO A 2 17.769 -3.619 16.956 1.00 0.00 C ATOM 14 CD PRO A 2 17.088 -2.487 17.708 1.00 0.00 C ATOM 0 HA PRO A 2 16.696 -1.620 14.563 1.00 0.00 H new ATOM 0 HB2 PRO A 2 17.259 -4.301 14.966 1.00 0.00 H new ATOM 0 HB3 PRO A 2 18.480 -3.044 14.994 1.00 0.00 H new ATOM 0 HG2 PRO A 2 17.350 -4.581 17.252 1.00 0.00 H new ATOM 0 HG3 PRO A 2 18.833 -3.648 17.192 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.365 -2.869 18.428 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.810 -1.892 18.267 1.00 0.00 H new ATOM 22 N LEU A 3 15.054 -3.518 13.824 1.00 0.00 N ATOM 23 CA LEU A 3 13.819 -4.118 13.347 1.00 0.00 C ATOM 24 C LEU A 3 14.038 -5.616 13.126 1.00 0.00 C ATOM 25 O LEU A 3 15.152 -6.114 13.280 1.00 0.00 O ATOM 26 CB LEU A 3 13.311 -3.381 12.106 1.00 0.00 C ATOM 27 CG LEU A 3 12.187 -2.369 12.340 1.00 0.00 C ATOM 28 CD1 LEU A 3 12.734 -0.941 12.375 1.00 0.00 C ATOM 29 CD2 LEU A 3 11.076 -2.533 11.301 1.00 0.00 C ATOM 0 H LEU A 3 15.847 -3.611 13.189 1.00 0.00 H new ATOM 0 HA LEU A 3 13.032 -4.017 14.094 1.00 0.00 H new ATOM 0 HB2 LEU A 3 14.152 -2.861 11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.963 -4.121 11.386 1.00 0.00 H new ATOM 0 HG LEU A 3 11.745 -2.568 13.316 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.915 -0.242 12.543 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.460 -0.849 13.183 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.217 -0.713 11.425 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.290 -1.802 11.490 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.485 -2.376 10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.660 -3.538 11.369 1.00 0.00 H new ATOM 41 N GLY A 4 12.956 -6.293 12.768 1.00 0.00 N ATOM 42 CA GLY A 4 13.016 -7.724 12.524 1.00 0.00 C ATOM 43 C GLY A 4 12.434 -8.071 11.152 1.00 0.00 C ATOM 44 O GLY A 4 12.503 -7.268 10.223 1.00 0.00 O ATOM 0 H GLY A 4 12.033 -5.877 12.641 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.050 -8.063 12.581 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.464 -8.253 13.301 1.00 0.00 H new ATOM 48 N SER A 5 11.873 -9.269 11.068 1.00 0.00 N ATOM 49 CA SER A 5 11.280 -9.732 9.826 1.00 0.00 C ATOM 50 C SER A 5 9.876 -9.145 9.665 1.00 0.00 C ATOM 51 O SER A 5 9.428 -8.362 10.502 1.00 0.00 O ATOM 52 CB SER A 5 11.225 -11.260 9.778 1.00 0.00 C ATOM 53 OG SER A 5 12.117 -11.797 8.805 1.00 0.00 O ATOM 0 H SER A 5 11.817 -9.933 11.841 1.00 0.00 H new ATOM 0 HA SER A 5 11.906 -9.392 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.475 -11.663 10.760 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.208 -11.579 9.552 1.00 0.00 H new ATOM 0 HG SER A 5 12.053 -12.775 8.807 1.00 0.00 H new ATOM 59 N LEU A 6 9.222 -9.545 8.585 1.00 0.00 N ATOM 60 CA LEU A 6 7.878 -9.069 8.305 1.00 0.00 C ATOM 61 C LEU A 6 7.381 -9.696 7.001 1.00 0.00 C ATOM 62 O LEU A 6 6.307 -10.294 6.965 1.00 0.00 O ATOM 63 CB LEU A 6 7.842 -7.539 8.304 1.00 0.00 C ATOM 64 CG LEU A 6 8.933 -6.842 7.489 1.00 0.00 C ATOM 65 CD1 LEU A 6 8.356 -6.227 6.213 1.00 0.00 C ATOM 66 CD2 LEU A 6 9.676 -5.809 8.339 1.00 0.00 C ATOM 0 H LEU A 6 9.598 -10.193 7.893 1.00 0.00 H new ATOM 0 HA LEU A 6 7.191 -9.381 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.872 -7.219 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.910 -7.193 9.335 1.00 0.00 H new ATOM 0 HG LEU A 6 9.663 -7.592 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.153 -5.738 5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.910 -7.011 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.594 -5.493 6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.446 -5.328 7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.972 -5.057 8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.140 -6.305 9.192 1.00 0.00 H new ATOM 78 N ARG A 7 8.186 -9.538 5.960 1.00 0.00 N ATOM 79 CA ARG A 7 7.842 -10.081 4.658 1.00 0.00 C ATOM 80 C ARG A 7 7.364 -11.528 4.795 1.00 0.00 C ATOM 81 O ARG A 7 8.065 -12.365 5.362 1.00 0.00 O ATOM 82 CB ARG A 7 9.040 -10.035 3.707 1.00 0.00 C ATOM 83 CG ARG A 7 8.591 -10.177 2.251 1.00 0.00 C ATOM 84 CD ARG A 7 9.619 -9.564 1.298 1.00 0.00 C ATOM 85 NE ARG A 7 9.401 -10.072 -0.075 1.00 0.00 N ATOM 86 CZ ARG A 7 10.008 -9.579 -1.163 1.00 0.00 C ATOM 87 NH1 ARG A 7 10.875 -8.564 -1.045 1.00 0.00 N ATOM 88 NH2 ARG A 7 9.750 -10.102 -2.369 1.00 0.00 N ATOM 0 H ARG A 7 9.076 -9.041 5.993 1.00 0.00 H new ATOM 0 HA ARG A 7 7.041 -9.468 4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.575 -9.094 3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.737 -10.835 3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.451 -11.231 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.626 -9.688 2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.536 -8.477 1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.628 -9.810 1.630 1.00 0.00 H new ATOM 0 HE ARG A 7 8.748 -10.845 -0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.073 -8.167 -0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.337 -8.189 -1.873 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.091 -10.876 -2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.212 -9.727 -3.197 1.00 0.00 H new ATOM 102 N LYS A 8 6.175 -11.778 4.267 1.00 0.00 N ATOM 103 CA LYS A 8 5.596 -13.109 4.324 1.00 0.00 C ATOM 104 C LYS A 8 4.366 -13.165 3.417 1.00 0.00 C ATOM 105 O LYS A 8 3.374 -12.481 3.667 1.00 0.00 O ATOM 106 CB LYS A 8 5.310 -13.508 5.773 1.00 0.00 C ATOM 107 CG LYS A 8 4.274 -12.574 6.404 1.00 0.00 C ATOM 108 CD LYS A 8 4.072 -12.901 7.885 1.00 0.00 C ATOM 109 CE LYS A 8 2.912 -12.093 8.471 1.00 0.00 C ATOM 110 NZ LYS A 8 3.402 -11.165 9.515 1.00 0.00 N ATOM 0 H LYS A 8 5.597 -11.081 3.798 1.00 0.00 H new ATOM 0 HA LYS A 8 6.304 -13.848 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.947 -14.535 5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.233 -13.477 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.599 -11.539 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.326 -12.666 5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.874 -13.966 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.986 -12.684 8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.416 -11.531 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.169 -12.768 8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.602 -10.625 9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.854 -11.708 10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.094 -10.509 9.100 1.00 0.00 H new ATOM 124 N GLU A 9 4.470 -13.985 2.381 1.00 0.00 N ATOM 125 CA GLU A 9 3.378 -14.139 1.435 1.00 0.00 C ATOM 126 C GLU A 9 3.079 -12.804 0.749 1.00 0.00 C ATOM 127 O GLU A 9 2.599 -11.868 1.386 1.00 0.00 O ATOM 128 CB GLU A 9 2.129 -14.693 2.124 1.00 0.00 C ATOM 129 CG GLU A 9 0.968 -14.820 1.136 1.00 0.00 C ATOM 130 CD GLU A 9 0.278 -16.179 1.273 1.00 0.00 C ATOM 131 OE1 GLU A 9 0.976 -17.194 1.062 1.00 0.00 O ATOM 132 OE2 GLU A 9 -0.932 -16.171 1.585 1.00 0.00 O ATOM 0 H GLU A 9 5.294 -14.550 2.176 1.00 0.00 H new ATOM 0 HA GLU A 9 3.681 -14.858 0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.351 -15.668 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.842 -14.037 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.246 -14.022 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.337 -14.696 0.118 1.00 0.00 H new ATOM 139 N PRO A 10 3.382 -12.759 -0.576 1.00 0.00 N ATOM 140 CA PRO A 10 3.151 -11.555 -1.356 1.00 0.00 C ATOM 141 C PRO A 10 1.662 -11.373 -1.656 1.00 0.00 C ATOM 142 O PRO A 10 0.967 -12.337 -1.975 1.00 0.00 O ATOM 143 CB PRO A 10 3.992 -11.731 -2.610 1.00 0.00 C ATOM 144 CG PRO A 10 4.295 -13.217 -2.703 1.00 0.00 C ATOM 145 CD PRO A 10 3.952 -13.848 -1.364 1.00 0.00 C ATOM 0 HA PRO A 10 3.438 -10.648 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.454 -11.386 -3.493 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.911 -11.148 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.712 -13.676 -3.502 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.346 -13.378 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.241 -14.666 -1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.838 -14.263 -0.883 1.00 0.00 H new ATOM 153 N GLU A 11 1.215 -10.131 -1.541 1.00 0.00 N ATOM 154 CA GLU A 11 -0.179 -9.811 -1.796 1.00 0.00 C ATOM 155 C GLU A 11 -0.289 -8.502 -2.580 1.00 0.00 C ATOM 156 O GLU A 11 -0.187 -7.419 -2.006 1.00 0.00 O ATOM 157 CB GLU A 11 -0.972 -9.735 -0.489 1.00 0.00 C ATOM 158 CG GLU A 11 -2.460 -9.995 -0.734 1.00 0.00 C ATOM 159 CD GLU A 11 -2.679 -11.375 -1.359 1.00 0.00 C ATOM 160 OE1 GLU A 11 -2.196 -12.356 -0.753 1.00 0.00 O ATOM 161 OE2 GLU A 11 -3.324 -11.417 -2.429 1.00 0.00 O ATOM 0 H GLU A 11 1.794 -9.334 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.610 -10.610 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.583 -10.467 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.841 -8.752 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.005 -9.928 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.864 -9.225 -1.392 1.00 0.00 H new ATOM 168 N ILE A 12 -0.494 -8.645 -3.882 1.00 0.00 N ATOM 169 CA ILE A 12 -0.618 -7.487 -4.751 1.00 0.00 C ATOM 170 C ILE A 12 -1.988 -6.841 -4.540 1.00 0.00 C ATOM 171 O ILE A 12 -2.857 -7.418 -3.887 1.00 0.00 O ATOM 172 CB ILE A 12 -0.339 -7.876 -6.204 1.00 0.00 C ATOM 173 CG1 ILE A 12 -1.454 -8.765 -6.758 1.00 0.00 C ATOM 174 CG2 ILE A 12 1.037 -8.531 -6.342 1.00 0.00 C ATOM 175 CD1 ILE A 12 -2.268 -8.025 -7.822 1.00 0.00 C ATOM 0 H ILE A 12 -0.577 -9.545 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 12 0.131 -6.737 -4.496 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.325 -6.966 -6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.023 -9.669 -7.188 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.110 -9.080 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.210 -8.798 -7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.807 -7.833 -6.013 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.076 -9.430 -5.726 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.054 -8.679 -8.199 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.717 -7.135 -7.382 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.613 -7.733 -8.643 1.00 0.00 H new ATOM 187 N ILE A 13 -2.140 -5.652 -5.105 1.00 0.00 N ATOM 188 CA ILE A 13 -3.390 -4.921 -4.986 1.00 0.00 C ATOM 189 C ILE A 13 -3.553 -4.000 -6.197 1.00 0.00 C ATOM 190 O ILE A 13 -2.613 -3.309 -6.588 1.00 0.00 O ATOM 191 CB ILE A 13 -3.458 -4.190 -3.644 1.00 0.00 C ATOM 192 CG1 ILE A 13 -3.720 -5.170 -2.499 1.00 0.00 C ATOM 193 CG2 ILE A 13 -4.495 -3.065 -3.684 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.015 -5.951 -2.731 1.00 0.00 C ATOM 0 H ILE A 13 -1.418 -5.177 -5.646 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.236 -5.609 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.489 -3.728 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.884 -5.864 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.783 -4.625 -1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.523 -2.562 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.224 -2.348 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.477 -3.483 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.177 -6.640 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.852 -5.256 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.939 -6.514 -3.662 1.00 0.00 H new ATOM 206 N THR A 14 -4.754 -4.019 -6.757 1.00 0.00 N ATOM 207 CA THR A 14 -5.053 -3.194 -7.915 1.00 0.00 C ATOM 208 C THR A 14 -6.561 -2.967 -8.034 1.00 0.00 C ATOM 209 O THR A 14 -7.323 -3.916 -8.210 1.00 0.00 O ATOM 210 CB THR A 14 -4.441 -3.867 -9.146 1.00 0.00 C ATOM 211 OG1 THR A 14 -4.779 -2.996 -10.222 1.00 0.00 O ATOM 212 CG2 THR A 14 -5.135 -5.183 -9.499 1.00 0.00 C ATOM 0 H THR A 14 -5.531 -4.593 -6.430 1.00 0.00 H new ATOM 0 HA THR A 14 -4.614 -2.201 -7.817 1.00 0.00 H new ATOM 0 HB THR A 14 -3.381 -4.052 -8.970 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.419 -3.356 -11.060 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.662 -5.619 -10.379 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.050 -5.875 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.188 -4.994 -9.709 1.00 0.00 H new ATOM 220 N VAL A 15 -6.947 -1.704 -7.932 1.00 0.00 N ATOM 221 CA VAL A 15 -8.351 -1.340 -8.025 1.00 0.00 C ATOM 222 C VAL A 15 -8.471 0.065 -8.617 1.00 0.00 C ATOM 223 O VAL A 15 -7.608 0.913 -8.393 1.00 0.00 O ATOM 224 CB VAL A 15 -9.017 -1.470 -6.654 1.00 0.00 C ATOM 225 CG1 VAL A 15 -8.733 -0.242 -5.787 1.00 0.00 C ATOM 226 CG2 VAL A 15 -10.523 -1.704 -6.797 1.00 0.00 C ATOM 0 H VAL A 15 -6.312 -0.919 -7.786 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.878 -2.020 -8.694 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.588 -2.339 -6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.218 -0.361 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.657 -0.138 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.121 0.649 -6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.973 -1.793 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.973 -0.864 -7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.697 -2.622 -7.359 1.00 0.00 H new ATOM 236 N THR A 16 -9.548 0.269 -9.362 1.00 0.00 N ATOM 237 CA THR A 16 -9.792 1.558 -9.988 1.00 0.00 C ATOM 238 C THR A 16 -10.303 2.564 -8.955 1.00 0.00 C ATOM 239 O THR A 16 -11.385 2.390 -8.396 1.00 0.00 O ATOM 240 CB THR A 16 -10.757 1.341 -11.155 1.00 0.00 C ATOM 241 OG1 THR A 16 -9.941 1.497 -12.313 1.00 0.00 O ATOM 242 CG2 THR A 16 -11.792 2.461 -11.275 1.00 0.00 C ATOM 0 H THR A 16 -10.261 -0.436 -9.546 1.00 0.00 H new ATOM 0 HA THR A 16 -8.871 1.987 -10.384 1.00 0.00 H new ATOM 0 HB THR A 16 -11.268 0.386 -11.031 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.570 2.404 -12.332 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.452 2.258 -12.119 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.380 2.513 -10.359 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.283 3.412 -11.433 1.00 0.00 H new ATOM 250 N LEU A 17 -9.501 3.595 -8.733 1.00 0.00 N ATOM 251 CA LEU A 17 -9.860 4.629 -7.777 1.00 0.00 C ATOM 252 C LEU A 17 -11.078 5.396 -8.295 1.00 0.00 C ATOM 253 O LEU A 17 -11.922 4.832 -8.989 1.00 0.00 O ATOM 254 CB LEU A 17 -8.654 5.521 -7.476 1.00 0.00 C ATOM 255 CG LEU A 17 -8.666 6.230 -6.120 1.00 0.00 C ATOM 256 CD1 LEU A 17 -8.506 7.742 -6.291 1.00 0.00 C ATOM 257 CD2 LEU A 17 -9.923 5.873 -5.326 1.00 0.00 C ATOM 0 H LEU A 17 -8.604 3.737 -9.198 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.145 4.184 -6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.752 4.912 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.582 6.277 -8.258 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.811 5.879 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.518 8.222 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.559 7.954 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.327 8.129 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.906 6.390 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.806 6.177 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.953 4.797 -5.157 1.00 0.00 H new ATOM 269 N LYS A 18 -11.130 6.671 -7.938 1.00 0.00 N ATOM 270 CA LYS A 18 -12.231 7.521 -8.358 1.00 0.00 C ATOM 271 C LYS A 18 -13.539 6.976 -7.782 1.00 0.00 C ATOM 272 O LYS A 18 -14.619 7.466 -8.112 1.00 0.00 O ATOM 273 CB LYS A 18 -12.243 7.669 -9.881 1.00 0.00 C ATOM 274 CG LYS A 18 -13.254 6.711 -10.516 1.00 0.00 C ATOM 275 CD LYS A 18 -14.485 7.468 -11.018 1.00 0.00 C ATOM 276 CE LYS A 18 -15.507 6.508 -11.631 1.00 0.00 C ATOM 277 NZ LYS A 18 -16.882 7.015 -11.427 1.00 0.00 N ATOM 0 H LYS A 18 -10.428 7.136 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.105 8.530 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.492 8.696 -10.148 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.248 7.469 -10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.786 6.180 -11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.557 5.960 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.943 8.013 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.184 8.207 -11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.311 6.391 -12.697 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.406 5.522 -11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.563 6.352 -11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.072 7.104 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.980 7.946 -11.880 1.00 0.00 H new ATOM 291 N LYS A 19 -13.400 5.969 -6.932 1.00 0.00 N ATOM 292 CA LYS A 19 -14.558 5.352 -6.308 1.00 0.00 C ATOM 293 C LYS A 19 -15.312 6.402 -5.490 1.00 0.00 C ATOM 294 O LYS A 19 -15.848 7.360 -6.046 1.00 0.00 O ATOM 295 CB LYS A 19 -14.138 4.125 -5.495 1.00 0.00 C ATOM 296 CG LYS A 19 -15.361 3.344 -5.010 1.00 0.00 C ATOM 297 CD LYS A 19 -15.131 1.836 -5.130 1.00 0.00 C ATOM 298 CE LYS A 19 -16.456 1.091 -5.299 1.00 0.00 C ATOM 299 NZ LYS A 19 -16.607 0.609 -6.690 1.00 0.00 N ATOM 0 H LYS A 19 -12.503 5.565 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.248 4.983 -7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.508 3.478 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.540 4.438 -4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.574 3.602 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.235 3.630 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.483 1.630 -5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.615 1.471 -4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.496 0.248 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.286 1.751 -5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.512 0.106 -6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.590 1.419 -7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.825 -0.037 -6.920 1.00 0.00 H new ATOM 313 N GLN A 20 -15.329 6.188 -4.182 1.00 0.00 N ATOM 314 CA GLN A 20 -16.008 7.105 -3.283 1.00 0.00 C ATOM 315 C GLN A 20 -15.240 8.425 -3.190 1.00 0.00 C ATOM 316 O GLN A 20 -15.742 9.402 -2.638 1.00 0.00 O ATOM 317 CB GLN A 20 -16.191 6.479 -1.898 1.00 0.00 C ATOM 318 CG GLN A 20 -16.851 7.466 -0.933 1.00 0.00 C ATOM 319 CD GLN A 20 -17.499 6.733 0.243 1.00 0.00 C ATOM 320 OE1 GLN A 20 -18.550 6.124 0.125 1.00 0.00 O ATOM 321 NE2 GLN A 20 -16.817 6.826 1.380 1.00 0.00 N ATOM 0 H GLN A 20 -14.883 5.393 -3.724 1.00 0.00 H new ATOM 0 HA GLN A 20 -16.999 7.312 -3.687 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.802 5.580 -1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.223 6.171 -1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.106 8.170 -0.562 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -17.605 8.049 -1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -15.943 7.352 1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -17.167 6.372 2.223 1.00 0.00 H new ATOM 330 N ASN A 21 -14.034 8.411 -3.740 1.00 0.00 N ATOM 331 CA ASN A 21 -13.192 9.595 -3.726 1.00 0.00 C ATOM 332 C ASN A 21 -11.732 9.179 -3.922 1.00 0.00 C ATOM 333 O ASN A 21 -11.200 9.270 -5.027 1.00 0.00 O ATOM 334 CB ASN A 21 -13.298 10.331 -2.390 1.00 0.00 C ATOM 335 CG ASN A 21 -14.089 11.633 -2.543 1.00 0.00 C ATOM 336 OD1 ASN A 21 -14.130 12.244 -3.597 1.00 0.00 O ATOM 337 ND2 ASN A 21 -14.712 12.020 -1.433 1.00 0.00 N ATOM 0 H ASN A 21 -13.620 7.599 -4.198 1.00 0.00 H new ATOM 0 HA ASN A 21 -13.524 10.254 -4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.785 9.690 -1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.300 10.550 -2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.266 12.876 -1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.635 11.460 -0.584 1.00 0.00 H new ATOM 344 N GLY A 22 -11.127 8.731 -2.832 1.00 0.00 N ATOM 345 CA GLY A 22 -9.739 8.301 -2.870 1.00 0.00 C ATOM 346 C GLY A 22 -9.604 6.844 -2.423 1.00 0.00 C ATOM 347 O GLY A 22 -10.522 6.047 -2.609 1.00 0.00 O ATOM 0 H GLY A 22 -11.572 8.656 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.348 8.413 -3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.139 8.941 -2.223 1.00 0.00 H new ATOM 351 N MET A 23 -8.453 6.541 -1.843 1.00 0.00 N ATOM 352 CA MET A 23 -8.186 5.194 -1.368 1.00 0.00 C ATOM 353 C MET A 23 -8.415 5.088 0.141 1.00 0.00 C ATOM 354 O MET A 23 -8.243 4.020 0.725 1.00 0.00 O ATOM 355 CB MET A 23 -6.739 4.815 -1.693 1.00 0.00 C ATOM 356 CG MET A 23 -5.759 5.586 -0.807 1.00 0.00 C ATOM 357 SD MET A 23 -4.139 5.601 -1.557 1.00 0.00 S ATOM 358 CE MET A 23 -4.445 6.697 -2.933 1.00 0.00 C ATOM 0 H MET A 23 -7.694 7.205 -1.691 1.00 0.00 H new ATOM 0 HA MET A 23 -8.872 4.510 -1.869 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.599 3.744 -1.550 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.531 5.026 -2.742 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.112 6.607 -0.664 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.708 5.125 0.179 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.971 6.297 -3.829 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.519 6.783 -3.098 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.032 7.681 -2.713 1.00 0.00 H new ATOM 368 N GLY A 24 -8.800 6.212 0.728 1.00 0.00 N ATOM 369 CA GLY A 24 -9.055 6.259 2.158 1.00 0.00 C ATOM 370 C GLY A 24 -8.280 5.162 2.890 1.00 0.00 C ATOM 371 O GLY A 24 -8.875 4.317 3.558 1.00 0.00 O ATOM 0 H GLY A 24 -8.941 7.096 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.769 7.235 2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.122 6.141 2.345 1.00 0.00 H new ATOM 375 N LEU A 25 -6.965 5.209 2.739 1.00 0.00 N ATOM 376 CA LEU A 25 -6.103 4.229 3.377 1.00 0.00 C ATOM 377 C LEU A 25 -5.105 4.949 4.286 1.00 0.00 C ATOM 378 O LEU A 25 -4.488 5.932 3.880 1.00 0.00 O ATOM 379 CB LEU A 25 -5.443 3.332 2.328 1.00 0.00 C ATOM 380 CG LEU A 25 -3.981 2.961 2.587 1.00 0.00 C ATOM 381 CD1 LEU A 25 -3.050 4.125 2.245 1.00 0.00 C ATOM 382 CD2 LEU A 25 -3.786 2.474 4.024 1.00 0.00 C ATOM 0 H LEU A 25 -6.475 5.911 2.184 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.688 3.562 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.022 2.412 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.505 3.831 1.361 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.717 2.134 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.018 3.834 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.163 4.384 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.305 4.988 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.739 2.217 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.074 3.263 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.406 1.594 4.197 1.00 0.00 H new ATOM 394 N SER A 26 -4.978 4.431 5.499 1.00 0.00 N ATOM 395 CA SER A 26 -4.065 5.013 6.469 1.00 0.00 C ATOM 396 C SER A 26 -2.834 4.119 6.630 1.00 0.00 C ATOM 397 O SER A 26 -2.927 3.018 7.170 1.00 0.00 O ATOM 398 CB SER A 26 -4.754 5.215 7.820 1.00 0.00 C ATOM 399 OG SER A 26 -5.716 6.265 7.776 1.00 0.00 O ATOM 0 H SER A 26 -5.492 3.615 5.832 1.00 0.00 H new ATOM 0 HA SER A 26 -3.751 5.990 6.101 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.242 4.288 8.120 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.005 5.441 8.579 1.00 0.00 H new ATOM 0 HG SER A 26 -6.135 6.362 8.657 1.00 0.00 H new ATOM 405 N ILE A 27 -1.708 4.627 6.150 1.00 0.00 N ATOM 406 CA ILE A 27 -0.459 3.889 6.234 1.00 0.00 C ATOM 407 C ILE A 27 0.226 4.202 7.566 1.00 0.00 C ATOM 408 O ILE A 27 -0.225 5.072 8.310 1.00 0.00 O ATOM 409 CB ILE A 27 0.415 4.174 5.011 1.00 0.00 C ATOM 410 CG1 ILE A 27 0.930 5.615 5.029 1.00 0.00 C ATOM 411 CG2 ILE A 27 -0.331 3.848 3.716 1.00 0.00 C ATOM 412 CD1 ILE A 27 2.133 5.779 4.098 1.00 0.00 C ATOM 0 H ILE A 27 -1.635 5.540 5.702 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.649 2.816 6.218 1.00 0.00 H new ATOM 0 HB ILE A 27 1.286 3.520 5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.134 6.293 4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.212 5.892 6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.313 4.060 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.606 2.793 3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.232 4.458 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.479 6.812 4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.936 5.117 4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.842 5.525 3.079 1.00 0.00 H new ATOM 424 N VAL A 28 1.303 3.476 7.826 1.00 0.00 N ATOM 425 CA VAL A 28 2.054 3.666 9.056 1.00 0.00 C ATOM 426 C VAL A 28 3.542 3.439 8.780 1.00 0.00 C ATOM 427 O VAL A 28 3.901 2.743 7.831 1.00 0.00 O ATOM 428 CB VAL A 28 1.503 2.752 10.152 1.00 0.00 C ATOM 429 CG1 VAL A 28 2.427 1.555 10.384 1.00 0.00 C ATOM 430 CG2 VAL A 28 1.275 3.529 11.450 1.00 0.00 C ATOM 0 H VAL A 28 1.674 2.755 7.207 1.00 0.00 H new ATOM 0 HA VAL A 28 1.943 4.688 9.418 1.00 0.00 H new ATOM 0 HB VAL A 28 0.539 2.370 9.816 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.012 0.922 11.168 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.516 0.980 9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.412 1.909 10.687 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.883 2.856 12.213 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.219 3.953 11.791 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.560 4.332 11.272 1.00 0.00 H new ATOM 440 N ALA A 29 4.366 4.039 9.626 1.00 0.00 N ATOM 441 CA ALA A 29 5.807 3.910 9.485 1.00 0.00 C ATOM 442 C ALA A 29 6.345 5.101 8.688 1.00 0.00 C ATOM 443 O ALA A 29 5.667 6.118 8.552 1.00 0.00 O ATOM 444 CB ALA A 29 6.138 2.570 8.825 1.00 0.00 C ATOM 0 H ALA A 29 4.064 4.616 10.411 1.00 0.00 H new ATOM 0 HA ALA A 29 6.291 3.920 10.462 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.219 2.474 8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.760 1.756 9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.672 2.524 7.841 1.00 0.00 H new ATOM 450 N ALA A 30 7.559 4.934 8.184 1.00 0.00 N ATOM 451 CA ALA A 30 8.196 5.982 7.405 1.00 0.00 C ATOM 452 C ALA A 30 9.683 5.662 7.247 1.00 0.00 C ATOM 453 O ALA A 30 10.377 5.415 8.232 1.00 0.00 O ATOM 454 CB ALA A 30 7.959 7.335 8.079 1.00 0.00 C ATOM 0 H ALA A 30 8.118 4.089 8.300 1.00 0.00 H new ATOM 0 HA ALA A 30 7.763 6.035 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.437 8.121 7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.888 7.528 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.383 7.321 9.083 1.00 0.00 H new ATOM 460 N LYS A 31 10.130 5.676 5.999 1.00 0.00 N ATOM 461 CA LYS A 31 11.523 5.390 5.700 1.00 0.00 C ATOM 462 C LYS A 31 12.355 6.656 5.909 1.00 0.00 C ATOM 463 O LYS A 31 12.273 7.595 5.119 1.00 0.00 O ATOM 464 CB LYS A 31 11.657 4.790 4.299 1.00 0.00 C ATOM 465 CG LYS A 31 13.047 5.058 3.719 1.00 0.00 C ATOM 466 CD LYS A 31 12.998 6.172 2.670 1.00 0.00 C ATOM 467 CE LYS A 31 14.398 6.718 2.384 1.00 0.00 C ATOM 468 NZ LYS A 31 14.956 6.099 1.161 1.00 0.00 N ATOM 0 H LYS A 31 9.552 5.881 5.184 1.00 0.00 H new ATOM 0 HA LYS A 31 11.913 4.636 6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.477 3.716 4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.897 5.215 3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.731 5.338 4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.439 4.146 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.558 5.790 1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.354 6.978 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.355 7.800 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.053 6.517 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.907 6.481 0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.015 5.069 1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.339 6.312 0.351 1.00 0.00 H new ATOM 482 N GLY A 32 13.138 6.641 6.978 1.00 0.00 N ATOM 483 CA GLY A 32 13.985 7.777 7.301 1.00 0.00 C ATOM 484 C GLY A 32 14.377 7.766 8.780 1.00 0.00 C ATOM 485 O GLY A 32 13.683 7.173 9.605 1.00 0.00 O ATOM 0 H GLY A 32 13.204 5.860 7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.883 7.753 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.461 8.704 7.067 1.00 0.00 H new ATOM 489 N ALA A 33 15.487 8.428 9.070 1.00 0.00 N ATOM 490 CA ALA A 33 15.980 8.501 10.435 1.00 0.00 C ATOM 491 C ALA A 33 16.096 7.087 11.008 1.00 0.00 C ATOM 492 O ALA A 33 15.826 6.868 12.188 1.00 0.00 O ATOM 493 CB ALA A 33 15.053 9.393 11.265 1.00 0.00 C ATOM 0 H ALA A 33 16.059 8.919 8.383 1.00 0.00 H new ATOM 0 HA ALA A 33 16.973 8.949 10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.422 9.448 12.289 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.029 10.394 10.834 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.047 8.973 11.264 1.00 0.00 H new ATOM 499 N GLY A 34 16.497 6.165 10.145 1.00 0.00 N ATOM 500 CA GLY A 34 16.652 4.778 10.551 1.00 0.00 C ATOM 501 C GLY A 34 17.515 4.008 9.550 1.00 0.00 C ATOM 502 O GLY A 34 18.668 4.366 9.315 1.00 0.00 O ATOM 0 H GLY A 34 16.719 6.351 9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.108 4.733 11.540 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.672 4.307 10.630 1.00 0.00 H new ATOM 506 N GLN A 35 16.924 2.964 8.988 1.00 0.00 N ATOM 507 CA GLN A 35 17.625 2.139 8.019 1.00 0.00 C ATOM 508 C GLN A 35 17.290 2.592 6.596 1.00 0.00 C ATOM 509 O GLN A 35 17.592 1.893 5.630 1.00 0.00 O ATOM 510 CB GLN A 35 17.293 0.659 8.215 1.00 0.00 C ATOM 511 CG GLN A 35 18.561 -0.160 8.460 1.00 0.00 C ATOM 512 CD GLN A 35 18.612 -1.381 7.540 1.00 0.00 C ATOM 513 OE1 GLN A 35 18.012 -2.412 7.799 1.00 0.00 O ATOM 514 NE2 GLN A 35 19.360 -1.209 6.454 1.00 0.00 N ATOM 0 H GLN A 35 15.967 2.670 9.185 1.00 0.00 H new ATOM 0 HA GLN A 35 18.697 2.260 8.176 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.613 0.544 9.059 1.00 0.00 H new ATOM 0 HB3 GLN A 35 16.775 0.279 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 35 19.439 0.464 8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 35 18.594 -0.483 9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 35 19.836 -0.320 6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 35 19.458 -1.966 5.777 1.00 0.00 H new ATOM 523 N ASP A 36 16.670 3.760 6.512 1.00 0.00 N ATOM 524 CA ASP A 36 16.291 4.315 5.223 1.00 0.00 C ATOM 525 C ASP A 36 15.359 3.336 4.506 1.00 0.00 C ATOM 526 O ASP A 36 15.448 3.166 3.291 1.00 0.00 O ATOM 527 CB ASP A 36 17.517 4.537 4.337 1.00 0.00 C ATOM 528 CG ASP A 36 18.326 5.796 4.654 1.00 0.00 C ATOM 529 OD1 ASP A 36 18.953 5.810 5.736 1.00 0.00 O ATOM 530 OD2 ASP A 36 18.299 6.716 3.809 1.00 0.00 O ATOM 0 H ASP A 36 16.421 4.337 7.315 1.00 0.00 H new ATOM 0 HA ASP A 36 15.797 5.270 5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 36 18.172 3.671 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.191 4.585 3.298 1.00 0.00 H new ATOM 535 N LYS A 37 14.488 2.716 5.288 1.00 0.00 N ATOM 536 CA LYS A 37 13.541 1.759 4.743 1.00 0.00 C ATOM 537 C LYS A 37 12.758 1.114 5.887 1.00 0.00 C ATOM 538 O LYS A 37 13.088 0.014 6.328 1.00 0.00 O ATOM 539 CB LYS A 37 14.258 0.750 3.843 1.00 0.00 C ATOM 540 CG LYS A 37 15.528 0.223 4.513 1.00 0.00 C ATOM 541 CD LYS A 37 15.513 -1.304 4.593 1.00 0.00 C ATOM 542 CE LYS A 37 16.446 -1.917 3.546 1.00 0.00 C ATOM 543 NZ LYS A 37 17.760 -2.238 4.147 1.00 0.00 N ATOM 0 H LYS A 37 14.418 2.858 6.296 1.00 0.00 H new ATOM 0 HA LYS A 37 12.815 2.263 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.590 -0.081 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.512 1.221 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.403 0.553 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.615 0.642 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.819 -1.623 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.498 -1.670 4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.997 -2.821 3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.579 -1.222 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.206 -3.011 3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.371 -1.397 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.627 -2.532 5.136 1.00 0.00 H new ATOM 557 N LEU A 38 11.734 1.826 6.337 1.00 0.00 N ATOM 558 CA LEU A 38 10.901 1.336 7.422 1.00 0.00 C ATOM 559 C LEU A 38 9.872 0.351 6.865 1.00 0.00 C ATOM 560 O LEU A 38 9.494 0.437 5.697 1.00 0.00 O ATOM 561 CB LEU A 38 10.282 2.505 8.191 1.00 0.00 C ATOM 562 CG LEU A 38 10.958 2.872 9.513 1.00 0.00 C ATOM 563 CD1 LEU A 38 12.194 3.742 9.274 1.00 0.00 C ATOM 564 CD2 LEU A 38 9.967 3.536 10.471 1.00 0.00 C ATOM 0 H LEU A 38 11.463 2.738 5.970 1.00 0.00 H new ATOM 0 HA LEU A 38 11.503 0.790 8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.290 3.383 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.238 2.268 8.394 1.00 0.00 H new ATOM 0 HG LEU A 38 11.298 1.952 9.989 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.656 3.989 10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.908 3.198 8.656 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.900 4.660 8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.474 3.786 11.403 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.574 4.445 10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.146 2.850 10.678 1.00 0.00 H new ATOM 576 N GLY A 39 9.446 -0.561 7.726 1.00 0.00 N ATOM 577 CA GLY A 39 8.467 -1.561 7.334 1.00 0.00 C ATOM 578 C GLY A 39 7.097 -0.923 7.094 1.00 0.00 C ATOM 579 O GLY A 39 6.156 -1.163 7.849 1.00 0.00 O ATOM 0 H GLY A 39 9.761 -0.629 8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.801 -2.066 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.387 -2.321 8.111 1.00 0.00 H new ATOM 583 N ILE A 40 7.029 -0.121 6.041 1.00 0.00 N ATOM 584 CA ILE A 40 5.791 0.553 5.693 1.00 0.00 C ATOM 585 C ILE A 40 4.630 -0.439 5.788 1.00 0.00 C ATOM 586 O ILE A 40 4.608 -1.444 5.079 1.00 0.00 O ATOM 587 CB ILE A 40 5.913 1.226 4.324 1.00 0.00 C ATOM 588 CG1 ILE A 40 7.196 2.055 4.234 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.669 2.059 4.009 1.00 0.00 C ATOM 590 CD1 ILE A 40 7.459 2.803 5.542 1.00 0.00 C ATOM 0 H ILE A 40 7.812 0.077 5.418 1.00 0.00 H new ATOM 0 HA ILE A 40 5.584 1.356 6.400 1.00 0.00 H new ATOM 0 HB ILE A 40 5.979 0.447 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.040 1.403 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.116 2.768 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.782 2.526 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.791 1.414 4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.547 2.832 4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.377 3.384 5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.625 3.472 5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.563 2.086 6.356 1.00 0.00 H new ATOM 602 N TYR A 41 3.694 -0.123 6.672 1.00 0.00 N ATOM 603 CA TYR A 41 2.534 -0.975 6.869 1.00 0.00 C ATOM 604 C TYR A 41 1.284 -0.141 7.158 1.00 0.00 C ATOM 605 O TYR A 41 1.355 0.866 7.862 1.00 0.00 O ATOM 606 CB TYR A 41 2.849 -1.840 8.091 1.00 0.00 C ATOM 607 CG TYR A 41 2.869 -3.342 7.801 1.00 0.00 C ATOM 608 CD1 TYR A 41 1.702 -4.075 7.872 1.00 0.00 C ATOM 609 CD2 TYR A 41 4.056 -3.965 7.469 1.00 0.00 C ATOM 610 CE1 TYR A 41 1.722 -5.489 7.599 1.00 0.00 C ATOM 611 CE2 TYR A 41 4.075 -5.379 7.196 1.00 0.00 C ATOM 612 CZ TYR A 41 2.907 -6.071 7.275 1.00 0.00 C ATOM 613 OH TYR A 41 2.926 -7.406 7.017 1.00 0.00 O ATOM 0 H TYR A 41 3.716 0.711 7.259 1.00 0.00 H new ATOM 0 HA TYR A 41 2.337 -1.568 5.976 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.819 -1.545 8.492 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.109 -1.640 8.866 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.774 -3.588 8.132 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.970 -3.392 7.414 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.816 -6.074 7.651 1.00 0.00 H new ATOM 0 HE2 TYR A 41 4.996 -5.879 6.934 1.00 0.00 H new ATOM 0 HH TYR A 41 3.840 -7.684 6.798 1.00 0.00 H new ATOM 623 N VAL A 42 0.170 -0.590 6.600 1.00 0.00 N ATOM 624 CA VAL A 42 -1.094 0.103 6.790 1.00 0.00 C ATOM 625 C VAL A 42 -1.507 0.008 8.260 1.00 0.00 C ATOM 626 O VAL A 42 -1.559 -1.083 8.824 1.00 0.00 O ATOM 627 CB VAL A 42 -2.147 -0.461 5.834 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.529 0.122 6.137 1.00 0.00 C ATOM 629 CG2 VAL A 42 -1.755 -0.212 4.377 1.00 0.00 C ATOM 0 H VAL A 42 0.116 -1.425 6.016 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.990 1.161 6.550 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.196 -1.539 5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.260 -0.295 5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.814 -0.129 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.499 1.206 6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.521 -0.623 3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.664 0.860 4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.800 -0.696 4.169 1.00 0.00 H new ATOM 639 N LYS A 43 -1.792 1.166 8.837 1.00 0.00 N ATOM 640 CA LYS A 43 -2.199 1.227 10.231 1.00 0.00 C ATOM 641 C LYS A 43 -3.724 1.136 10.316 1.00 0.00 C ATOM 642 O LYS A 43 -4.265 0.610 11.287 1.00 0.00 O ATOM 643 CB LYS A 43 -1.619 2.472 10.904 1.00 0.00 C ATOM 644 CG LYS A 43 -2.584 3.028 11.953 1.00 0.00 C ATOM 645 CD LYS A 43 -3.515 4.076 11.341 1.00 0.00 C ATOM 646 CE LYS A 43 -3.517 5.361 12.172 1.00 0.00 C ATOM 647 NZ LYS A 43 -4.572 5.306 13.208 1.00 0.00 N ATOM 0 H LYS A 43 -1.749 2.069 8.365 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.797 0.378 10.783 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.667 2.225 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.415 3.234 10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.174 2.215 12.376 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.019 3.472 12.773 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.198 4.298 10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.527 3.677 11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.544 5.498 12.643 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.681 6.221 11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.560 6.185 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.501 5.197 12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.398 4.497 13.838 1.00 0.00 H new ATOM 661 N SER A 44 -4.375 1.657 9.286 1.00 0.00 N ATOM 662 CA SER A 44 -5.827 1.641 9.232 1.00 0.00 C ATOM 663 C SER A 44 -6.305 2.145 7.869 1.00 0.00 C ATOM 664 O SER A 44 -5.521 2.235 6.926 1.00 0.00 O ATOM 665 CB SER A 44 -6.428 2.491 10.353 1.00 0.00 C ATOM 666 OG SER A 44 -6.322 3.886 10.082 1.00 0.00 O ATOM 0 H SER A 44 -3.923 2.093 8.482 1.00 0.00 H new ATOM 0 HA SER A 44 -6.164 0.614 9.371 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.477 2.226 10.486 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.921 2.265 11.291 1.00 0.00 H new ATOM 0 HG SER A 44 -6.719 4.394 10.820 1.00 0.00 H new ATOM 672 N VAL A 45 -7.591 2.459 7.809 1.00 0.00 N ATOM 673 CA VAL A 45 -8.184 2.951 6.577 1.00 0.00 C ATOM 674 C VAL A 45 -9.159 4.085 6.902 1.00 0.00 C ATOM 675 O VAL A 45 -9.874 4.025 7.901 1.00 0.00 O ATOM 676 CB VAL A 45 -8.840 1.798 5.815 1.00 0.00 C ATOM 677 CG1 VAL A 45 -7.810 1.039 4.976 1.00 0.00 C ATOM 678 CG2 VAL A 45 -9.571 0.855 6.771 1.00 0.00 C ATOM 0 H VAL A 45 -8.239 2.382 8.593 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.416 3.361 5.921 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.578 2.223 5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.302 0.225 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.355 1.719 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.038 0.632 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.028 0.044 6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.861 0.441 7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.345 1.406 7.305 1.00 0.00 H new ATOM 688 N VAL A 46 -9.156 5.091 6.039 1.00 0.00 N ATOM 689 CA VAL A 46 -10.032 6.235 6.223 1.00 0.00 C ATOM 690 C VAL A 46 -11.477 5.751 6.353 1.00 0.00 C ATOM 691 O VAL A 46 -12.342 6.487 6.825 1.00 0.00 O ATOM 692 CB VAL A 46 -9.836 7.232 5.078 1.00 0.00 C ATOM 693 CG1 VAL A 46 -11.008 8.213 5.000 1.00 0.00 C ATOM 694 CG2 VAL A 46 -8.507 7.975 5.219 1.00 0.00 C ATOM 0 H VAL A 46 -8.561 5.137 5.212 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.783 6.763 7.144 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.807 6.670 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.844 8.911 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.933 7.662 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.082 8.766 5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.393 8.677 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.493 8.520 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.686 7.258 5.202 1.00 0.00 H new ATOM 704 N LYS A 47 -11.694 4.515 5.927 1.00 0.00 N ATOM 705 CA LYS A 47 -13.020 3.924 5.991 1.00 0.00 C ATOM 706 C LYS A 47 -13.986 4.756 5.146 1.00 0.00 C ATOM 707 O LYS A 47 -15.126 4.986 5.546 1.00 0.00 O ATOM 708 CB LYS A 47 -13.463 3.757 7.446 1.00 0.00 C ATOM 709 CG LYS A 47 -13.982 2.340 7.702 1.00 0.00 C ATOM 710 CD LYS A 47 -14.865 2.297 8.950 1.00 0.00 C ATOM 711 CE LYS A 47 -16.258 2.855 8.656 1.00 0.00 C ATOM 712 NZ LYS A 47 -16.845 3.454 9.875 1.00 0.00 N ATOM 0 H LYS A 47 -10.974 3.907 5.536 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.010 2.920 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.626 3.967 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.244 4.482 7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.550 1.995 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.141 1.657 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.948 1.270 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.400 2.874 9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.196 3.606 7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.905 2.059 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.791 3.828 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.922 2.728 10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.236 4.227 10.210 1.00 0.00 H new ATOM 726 N GLY A 48 -13.495 5.185 3.992 1.00 0.00 N ATOM 727 CA GLY A 48 -14.300 5.987 3.087 1.00 0.00 C ATOM 728 C GLY A 48 -13.631 6.106 1.717 1.00 0.00 C ATOM 729 O GLY A 48 -13.817 7.099 1.015 1.00 0.00 O ATOM 0 H GLY A 48 -12.549 4.992 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.286 5.537 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.449 6.980 3.510 1.00 0.00 H new ATOM 733 N GLY A 49 -12.865 5.080 1.377 1.00 0.00 N ATOM 734 CA GLY A 49 -12.167 5.057 0.102 1.00 0.00 C ATOM 735 C GLY A 49 -12.181 3.653 -0.505 1.00 0.00 C ATOM 736 O GLY A 49 -12.468 2.676 0.186 1.00 0.00 O ATOM 0 H GLY A 49 -12.712 4.258 1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.637 5.759 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.137 5.387 0.241 1.00 0.00 H new ATOM 740 N ALA A 50 -11.869 3.596 -1.792 1.00 0.00 N ATOM 741 CA ALA A 50 -11.842 2.328 -2.500 1.00 0.00 C ATOM 742 C ALA A 50 -11.243 1.253 -1.591 1.00 0.00 C ATOM 743 O ALA A 50 -11.687 0.106 -1.604 1.00 0.00 O ATOM 744 CB ALA A 50 -11.061 2.489 -3.806 1.00 0.00 C ATOM 0 H ALA A 50 -11.633 4.408 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.852 2.013 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.041 1.538 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.544 3.242 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.041 2.802 -3.584 1.00 0.00 H new ATOM 750 N ALA A 51 -10.243 1.663 -0.824 1.00 0.00 N ATOM 751 CA ALA A 51 -9.578 0.749 0.090 1.00 0.00 C ATOM 752 C ALA A 51 -10.625 0.064 0.971 1.00 0.00 C ATOM 753 O ALA A 51 -11.071 -1.040 0.666 1.00 0.00 O ATOM 754 CB ALA A 51 -8.537 1.514 0.909 1.00 0.00 C ATOM 0 H ALA A 51 -9.877 2.615 -0.817 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.051 -0.030 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.038 0.829 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.800 1.957 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.030 2.302 1.478 1.00 0.00 H new ATOM 760 N ASP A 52 -10.986 0.749 2.046 1.00 0.00 N ATOM 761 CA ASP A 52 -11.972 0.220 2.974 1.00 0.00 C ATOM 762 C ASP A 52 -13.302 0.028 2.243 1.00 0.00 C ATOM 763 O ASP A 52 -14.233 -0.565 2.785 1.00 0.00 O ATOM 764 CB ASP A 52 -12.206 1.185 4.138 1.00 0.00 C ATOM 765 CG ASP A 52 -13.178 0.684 5.208 1.00 0.00 C ATOM 766 OD1 ASP A 52 -14.398 0.823 4.977 1.00 0.00 O ATOM 767 OD2 ASP A 52 -12.678 0.172 6.233 1.00 0.00 O ATOM 0 H ASP A 52 -10.614 1.665 2.295 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.597 -0.727 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.248 1.399 4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.582 2.127 3.739 1.00 0.00 H new ATOM 772 N VAL A 53 -13.350 0.543 1.023 1.00 0.00 N ATOM 773 CA VAL A 53 -14.551 0.435 0.212 1.00 0.00 C ATOM 774 C VAL A 53 -14.493 -0.854 -0.609 1.00 0.00 C ATOM 775 O VAL A 53 -15.528 -1.394 -0.997 1.00 0.00 O ATOM 776 CB VAL A 53 -14.712 1.688 -0.653 1.00 0.00 C ATOM 777 CG1 VAL A 53 -15.549 1.390 -1.898 1.00 0.00 C ATOM 778 CG2 VAL A 53 -15.319 2.837 0.154 1.00 0.00 C ATOM 0 H VAL A 53 -12.577 1.036 0.577 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.436 0.377 0.846 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.720 1.998 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.648 2.296 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.058 0.617 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.538 1.044 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.423 3.715 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.300 2.542 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -14.668 3.075 0.995 1.00 0.00 H new ATOM 788 N ASP A 54 -13.273 -1.311 -0.849 1.00 0.00 N ATOM 789 CA ASP A 54 -13.067 -2.528 -1.617 1.00 0.00 C ATOM 790 C ASP A 54 -13.160 -3.737 -0.684 1.00 0.00 C ATOM 791 O ASP A 54 -12.942 -4.871 -1.108 1.00 0.00 O ATOM 792 CB ASP A 54 -11.683 -2.540 -2.270 1.00 0.00 C ATOM 793 CG ASP A 54 -11.603 -1.838 -3.627 1.00 0.00 C ATOM 794 OD1 ASP A 54 -12.626 -1.869 -4.344 1.00 0.00 O ATOM 795 OD2 ASP A 54 -10.519 -1.286 -3.917 1.00 0.00 O ATOM 0 H ASP A 54 -12.417 -0.861 -0.525 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.832 -2.571 -2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.973 -2.068 -1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.365 -3.575 -2.394 1.00 0.00 H new ATOM 800 N GLY A 55 -13.483 -3.453 0.570 1.00 0.00 N ATOM 801 CA GLY A 55 -13.607 -4.503 1.566 1.00 0.00 C ATOM 802 C GLY A 55 -12.422 -5.469 1.496 1.00 0.00 C ATOM 803 O GLY A 55 -12.609 -6.681 1.413 1.00 0.00 O ATOM 0 H GLY A 55 -13.662 -2.511 0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.662 -4.061 2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.536 -5.050 1.409 1.00 0.00 H new ATOM 807 N ARG A 56 -11.228 -4.894 1.531 1.00 0.00 N ATOM 808 CA ARG A 56 -10.014 -5.689 1.473 1.00 0.00 C ATOM 809 C ARG A 56 -8.869 -4.962 2.181 1.00 0.00 C ATOM 810 O ARG A 56 -8.101 -5.576 2.920 1.00 0.00 O ATOM 811 CB ARG A 56 -9.610 -5.972 0.024 1.00 0.00 C ATOM 812 CG ARG A 56 -9.647 -7.472 -0.272 1.00 0.00 C ATOM 813 CD ARG A 56 -8.360 -7.927 -0.963 1.00 0.00 C ATOM 814 NE ARG A 56 -8.653 -9.031 -1.904 1.00 0.00 N ATOM 815 CZ ARG A 56 -7.739 -9.600 -2.702 1.00 0.00 C ATOM 816 NH1 ARG A 56 -6.470 -9.173 -2.678 1.00 0.00 N ATOM 817 NH2 ARG A 56 -8.096 -10.596 -3.524 1.00 0.00 N ATOM 0 H ARG A 56 -11.076 -3.888 1.599 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.213 -6.636 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.283 -5.447 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.607 -5.586 -0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.781 -8.026 0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.504 -7.700 -0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.910 -7.091 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.635 -8.256 -0.219 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.610 -9.381 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.199 -8.415 -2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.775 -9.606 -3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.063 -10.921 -3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.401 -11.030 -4.132 1.00 0.00 H new ATOM 831 N LEU A 57 -8.790 -3.663 1.930 1.00 0.00 N ATOM 832 CA LEU A 57 -7.752 -2.846 2.534 1.00 0.00 C ATOM 833 C LEU A 57 -7.959 -2.804 4.050 1.00 0.00 C ATOM 834 O LEU A 57 -9.049 -3.097 4.539 1.00 0.00 O ATOM 835 CB LEU A 57 -7.711 -1.463 1.881 1.00 0.00 C ATOM 836 CG LEU A 57 -6.938 -1.365 0.564 1.00 0.00 C ATOM 837 CD1 LEU A 57 -5.430 -1.323 0.816 1.00 0.00 C ATOM 838 CD2 LEU A 57 -7.330 -2.498 -0.386 1.00 0.00 C ATOM 0 H LEU A 57 -9.428 -3.157 1.316 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.770 -3.286 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.736 -1.137 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.272 -0.761 2.590 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.209 -0.428 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.904 -1.253 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.188 -0.455 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.122 -2.231 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.767 -2.406 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.106 -3.458 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.397 -2.439 -0.602 1.00 0.00 H new ATOM 850 N ALA A 58 -6.895 -2.439 4.750 1.00 0.00 N ATOM 851 CA ALA A 58 -6.947 -2.356 6.200 1.00 0.00 C ATOM 852 C ALA A 58 -5.529 -2.475 6.764 1.00 0.00 C ATOM 853 O ALA A 58 -4.584 -2.746 6.025 1.00 0.00 O ATOM 854 CB ALA A 58 -7.882 -3.439 6.741 1.00 0.00 C ATOM 0 H ALA A 58 -5.993 -2.198 4.341 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.348 -1.393 6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.921 -3.376 7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.882 -3.293 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.510 -4.421 6.447 1.00 0.00 H new ATOM 860 N ALA A 59 -5.426 -2.266 8.068 1.00 0.00 N ATOM 861 CA ALA A 59 -4.140 -2.346 8.740 1.00 0.00 C ATOM 862 C ALA A 59 -3.517 -3.718 8.475 1.00 0.00 C ATOM 863 O ALA A 59 -4.230 -4.705 8.298 1.00 0.00 O ATOM 864 CB ALA A 59 -4.325 -2.068 10.233 1.00 0.00 C ATOM 0 H ALA A 59 -6.212 -2.041 8.678 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.456 -1.592 8.351 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.360 -2.128 10.737 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.743 -1.071 10.368 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.003 -2.807 10.659 1.00 0.00 H new ATOM 870 N GLY A 60 -2.192 -3.737 8.457 1.00 0.00 N ATOM 871 CA GLY A 60 -1.464 -4.972 8.217 1.00 0.00 C ATOM 872 C GLY A 60 -1.199 -5.170 6.723 1.00 0.00 C ATOM 873 O GLY A 60 -0.994 -6.295 6.270 1.00 0.00 O ATOM 0 H GLY A 60 -1.604 -2.917 8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.518 -4.952 8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.035 -5.816 8.604 1.00 0.00 H new ATOM 877 N ASP A 61 -1.212 -4.060 6.000 1.00 0.00 N ATOM 878 CA ASP A 61 -0.975 -4.098 4.567 1.00 0.00 C ATOM 879 C ASP A 61 0.412 -3.526 4.268 1.00 0.00 C ATOM 880 O ASP A 61 0.611 -2.313 4.316 1.00 0.00 O ATOM 881 CB ASP A 61 -2.007 -3.254 3.816 1.00 0.00 C ATOM 882 CG ASP A 61 -2.870 -4.026 2.816 1.00 0.00 C ATOM 883 OD1 ASP A 61 -2.514 -5.193 2.542 1.00 0.00 O ATOM 884 OD2 ASP A 61 -3.866 -3.432 2.349 1.00 0.00 O ATOM 0 H ASP A 61 -1.383 -3.129 6.380 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.050 -5.135 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.662 -2.775 4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.486 -2.458 3.284 1.00 0.00 H new ATOM 889 N GLN A 62 1.336 -4.426 3.965 1.00 0.00 N ATOM 890 CA GLN A 62 2.699 -4.026 3.659 1.00 0.00 C ATOM 891 C GLN A 62 2.842 -3.730 2.164 1.00 0.00 C ATOM 892 O GLN A 62 2.796 -4.643 1.340 1.00 0.00 O ATOM 893 CB GLN A 62 3.698 -5.096 4.104 1.00 0.00 C ATOM 894 CG GLN A 62 5.054 -4.473 4.442 1.00 0.00 C ATOM 895 CD GLN A 62 5.755 -3.968 3.179 1.00 0.00 C ATOM 896 OE1 GLN A 62 5.772 -4.617 2.146 1.00 0.00 O ATOM 897 NE2 GLN A 62 6.332 -2.778 3.320 1.00 0.00 N ATOM 0 H GLN A 62 1.167 -5.431 3.925 1.00 0.00 H new ATOM 0 HA GLN A 62 2.923 -3.115 4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.308 -5.623 4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.821 -5.836 3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.915 -3.647 5.140 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.683 -5.210 4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.280 -2.288 4.213 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.827 -2.355 2.535 1.00 0.00 H new ATOM 906 N LEU A 63 3.012 -2.452 1.860 1.00 0.00 N ATOM 907 CA LEU A 63 3.161 -2.025 0.479 1.00 0.00 C ATOM 908 C LEU A 63 4.622 -2.191 0.054 1.00 0.00 C ATOM 909 O LEU A 63 5.501 -1.493 0.558 1.00 0.00 O ATOM 910 CB LEU A 63 2.625 -0.604 0.297 1.00 0.00 C ATOM 911 CG LEU A 63 1.110 -0.436 0.429 1.00 0.00 C ATOM 912 CD1 LEU A 63 0.545 -1.381 1.492 1.00 0.00 C ATOM 913 CD2 LEU A 63 0.742 1.023 0.706 1.00 0.00 C ATOM 0 H LEU A 63 3.050 -1.698 2.546 1.00 0.00 H new ATOM 0 HA LEU A 63 2.563 -2.653 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.107 0.042 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.926 -0.247 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 63 0.652 -0.709 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.534 -1.242 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.759 -2.413 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.006 -1.163 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.340 1.115 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.211 1.347 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.092 1.649 -0.115 1.00 0.00 H new ATOM 925 N LEU A 64 4.835 -3.118 -0.868 1.00 0.00 N ATOM 926 CA LEU A 64 6.174 -3.384 -1.366 1.00 0.00 C ATOM 927 C LEU A 64 6.529 -2.352 -2.437 1.00 0.00 C ATOM 928 O LEU A 64 7.693 -1.983 -2.588 1.00 0.00 O ATOM 929 CB LEU A 64 6.289 -4.833 -1.845 1.00 0.00 C ATOM 930 CG LEU A 64 7.546 -5.586 -1.407 1.00 0.00 C ATOM 931 CD1 LEU A 64 8.809 -4.887 -1.914 1.00 0.00 C ATOM 932 CD2 LEU A 64 7.568 -5.780 0.111 1.00 0.00 C ATOM 0 H LEU A 64 4.103 -3.694 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 64 6.907 -3.278 -0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.418 -5.383 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.247 -4.839 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 64 7.524 -6.578 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.688 -5.443 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.789 -4.845 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.851 -3.875 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.472 -6.318 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.555 -4.807 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.693 -6.353 0.417 1.00 0.00 H new ATOM 944 N SER A 65 5.505 -1.914 -3.155 1.00 0.00 N ATOM 945 CA SER A 65 5.694 -0.931 -4.208 1.00 0.00 C ATOM 946 C SER A 65 4.337 -0.436 -4.712 1.00 0.00 C ATOM 947 O SER A 65 3.315 -1.085 -4.493 1.00 0.00 O ATOM 948 CB SER A 65 6.510 -1.513 -5.364 1.00 0.00 C ATOM 949 OG SER A 65 5.768 -2.476 -6.109 1.00 0.00 O ATOM 0 H SER A 65 4.541 -2.222 -3.028 1.00 0.00 H new ATOM 0 HA SER A 65 6.249 -0.089 -3.795 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.826 -0.707 -6.026 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.415 -1.977 -4.972 1.00 0.00 H new ATOM 0 HG SER A 65 6.317 -2.811 -6.849 1.00 0.00 H new ATOM 955 N VAL A 66 4.371 0.710 -5.377 1.00 0.00 N ATOM 956 CA VAL A 66 3.156 1.300 -5.913 1.00 0.00 C ATOM 957 C VAL A 66 3.496 2.101 -7.172 1.00 0.00 C ATOM 958 O VAL A 66 4.396 2.940 -7.153 1.00 0.00 O ATOM 959 CB VAL A 66 2.464 2.140 -4.839 1.00 0.00 C ATOM 960 CG1 VAL A 66 3.466 3.044 -4.119 1.00 0.00 C ATOM 961 CG2 VAL A 66 1.318 2.958 -5.437 1.00 0.00 C ATOM 0 H VAL A 66 5.220 1.245 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 66 2.449 0.522 -6.203 1.00 0.00 H new ATOM 0 HB VAL A 66 2.040 1.458 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.947 3.630 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.232 2.432 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.934 3.715 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.843 3.546 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.709 3.626 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.584 2.286 -5.881 1.00 0.00 H new ATOM 971 N ASP A 67 2.759 1.814 -8.234 1.00 0.00 N ATOM 972 CA ASP A 67 2.971 2.498 -9.499 1.00 0.00 C ATOM 973 C ASP A 67 4.371 2.171 -10.022 1.00 0.00 C ATOM 974 O ASP A 67 5.020 3.014 -10.638 1.00 0.00 O ATOM 975 CB ASP A 67 2.872 4.015 -9.328 1.00 0.00 C ATOM 976 CG ASP A 67 2.511 4.786 -10.599 1.00 0.00 C ATOM 977 OD1 ASP A 67 3.227 4.590 -11.605 1.00 0.00 O ATOM 978 OD2 ASP A 67 1.528 5.555 -10.537 1.00 0.00 O ATOM 0 H ASP A 67 2.014 1.117 -8.245 1.00 0.00 H new ATOM 0 HA ASP A 67 2.203 2.163 -10.197 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.124 4.232 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.826 4.387 -8.954 1.00 0.00 H new ATOM 983 N GLY A 68 4.796 0.944 -9.756 1.00 0.00 N ATOM 984 CA GLY A 68 6.107 0.495 -10.192 1.00 0.00 C ATOM 985 C GLY A 68 7.203 1.017 -9.260 1.00 0.00 C ATOM 986 O GLY A 68 8.352 0.587 -9.345 1.00 0.00 O ATOM 0 H GLY A 68 4.255 0.247 -9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.133 -0.594 -10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.294 0.840 -11.209 1.00 0.00 H new ATOM 990 N ARG A 69 6.809 1.937 -8.392 1.00 0.00 N ATOM 991 CA ARG A 69 7.743 2.523 -7.446 1.00 0.00 C ATOM 992 C ARG A 69 7.717 1.748 -6.127 1.00 0.00 C ATOM 993 O ARG A 69 6.657 1.562 -5.532 1.00 0.00 O ATOM 994 CB ARG A 69 7.405 3.990 -7.174 1.00 0.00 C ATOM 995 CG ARG A 69 8.614 4.734 -6.602 1.00 0.00 C ATOM 996 CD ARG A 69 9.765 4.766 -7.609 1.00 0.00 C ATOM 997 NE ARG A 69 10.590 5.976 -7.397 1.00 0.00 N ATOM 998 CZ ARG A 69 11.388 6.514 -8.329 1.00 0.00 C ATOM 999 NH1 ARG A 69 11.475 5.952 -9.542 1.00 0.00 N ATOM 1000 NH2 ARG A 69 12.100 7.614 -8.048 1.00 0.00 N ATOM 0 H ARG A 69 5.855 2.291 -8.324 1.00 0.00 H new ATOM 0 HA ARG A 69 8.739 2.468 -7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.082 4.470 -8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.571 4.051 -6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.328 5.752 -6.339 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.943 4.248 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.380 3.873 -7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.370 4.758 -8.625 1.00 0.00 H new ATOM 0 HE ARG A 69 10.549 6.429 -6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.934 5.114 -9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.083 6.362 -10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.034 8.042 -7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.708 8.023 -8.758 1.00 0.00 H new ATOM 1014 N SER A 70 8.898 1.316 -5.708 1.00 0.00 N ATOM 1015 CA SER A 70 9.024 0.565 -4.470 1.00 0.00 C ATOM 1016 C SER A 70 8.494 1.395 -3.299 1.00 0.00 C ATOM 1017 O SER A 70 8.754 2.594 -3.215 1.00 0.00 O ATOM 1018 CB SER A 70 10.478 0.159 -4.218 1.00 0.00 C ATOM 1019 OG SER A 70 10.927 -0.822 -5.149 1.00 0.00 O ATOM 0 H SER A 70 9.776 1.472 -6.204 1.00 0.00 H new ATOM 0 HA SER A 70 8.431 -0.345 -4.560 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.117 1.040 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.575 -0.231 -3.205 1.00 0.00 H new ATOM 0 HG SER A 70 11.860 -1.053 -4.956 1.00 0.00 H new ATOM 1025 N LEU A 71 7.761 0.723 -2.424 1.00 0.00 N ATOM 1026 CA LEU A 71 7.193 1.383 -1.261 1.00 0.00 C ATOM 1027 C LEU A 71 7.698 0.694 0.009 1.00 0.00 C ATOM 1028 O LEU A 71 7.419 1.148 1.118 1.00 0.00 O ATOM 1029 CB LEU A 71 5.667 1.435 -1.367 1.00 0.00 C ATOM 1030 CG LEU A 71 5.007 2.737 -0.909 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.293 3.873 -1.894 1.00 0.00 C ATOM 1032 CD2 LEU A 71 3.507 2.541 -0.680 1.00 0.00 C ATOM 0 H LEU A 71 7.547 -0.272 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 71 7.522 2.421 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.388 1.255 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.254 0.615 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 71 5.444 3.023 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.812 4.787 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.369 4.032 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.901 3.610 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.063 3.482 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.036 2.219 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.352 1.782 0.087 1.00 0.00 H new ATOM 1044 N VAL A 72 8.431 -0.389 -0.196 1.00 0.00 N ATOM 1045 CA VAL A 72 8.978 -1.145 0.919 1.00 0.00 C ATOM 1046 C VAL A 72 10.080 -0.326 1.593 1.00 0.00 C ATOM 1047 O VAL A 72 11.211 -0.791 1.724 1.00 0.00 O ATOM 1048 CB VAL A 72 9.461 -2.514 0.436 1.00 0.00 C ATOM 1049 CG1 VAL A 72 10.849 -2.413 -0.199 1.00 0.00 C ATOM 1050 CG2 VAL A 72 9.452 -3.532 1.578 1.00 0.00 C ATOM 0 H VAL A 72 8.660 -0.762 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 72 8.208 -1.332 1.668 1.00 0.00 H new ATOM 0 HB VAL A 72 8.768 -2.863 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.169 -3.400 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.810 -1.735 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.558 -2.032 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.800 -4.497 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.112 -3.190 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.438 -3.636 1.965 1.00 0.00 H new ATOM 1060 N GLY A 73 9.712 0.879 2.002 1.00 0.00 N ATOM 1061 CA GLY A 73 10.655 1.767 2.659 1.00 0.00 C ATOM 1062 C GLY A 73 10.551 3.188 2.101 1.00 0.00 C ATOM 1063 O GLY A 73 11.565 3.847 1.876 1.00 0.00 O ATOM 0 H GLY A 73 8.773 1.261 1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.462 1.779 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.669 1.392 2.522 1.00 0.00 H new ATOM 1067 N LEU A 74 9.315 3.619 1.895 1.00 0.00 N ATOM 1068 CA LEU A 74 9.065 4.950 1.368 1.00 0.00 C ATOM 1069 C LEU A 74 8.446 5.820 2.464 1.00 0.00 C ATOM 1070 O LEU A 74 7.478 5.418 3.108 1.00 0.00 O ATOM 1071 CB LEU A 74 8.220 4.872 0.095 1.00 0.00 C ATOM 1072 CG LEU A 74 8.990 4.649 -1.208 1.00 0.00 C ATOM 1073 CD1 LEU A 74 8.172 5.114 -2.415 1.00 0.00 C ATOM 1074 CD2 LEU A 74 10.364 5.318 -1.155 1.00 0.00 C ATOM 0 H LEU A 74 8.476 3.070 2.083 1.00 0.00 H new ATOM 0 HA LEU A 74 10.001 5.425 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.499 4.063 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.650 5.797 0.004 1.00 0.00 H new ATOM 0 HG LEU A 74 9.158 3.579 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.742 4.944 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.239 4.552 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.951 6.177 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.890 5.144 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.241 6.390 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.942 4.898 -0.332 1.00 0.00 H new ATOM 1086 N SER A 75 9.031 6.996 2.642 1.00 0.00 N ATOM 1087 CA SER A 75 8.549 7.926 3.650 1.00 0.00 C ATOM 1088 C SER A 75 7.101 8.317 3.350 1.00 0.00 C ATOM 1089 O SER A 75 6.741 8.546 2.196 1.00 0.00 O ATOM 1090 CB SER A 75 9.433 9.173 3.715 1.00 0.00 C ATOM 1091 OG SER A 75 9.330 9.963 2.534 1.00 0.00 O ATOM 0 H SER A 75 9.834 7.326 2.106 1.00 0.00 H new ATOM 0 HA SER A 75 8.592 7.432 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.149 9.774 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.471 8.874 3.862 1.00 0.00 H new ATOM 0 HG SER A 75 9.908 10.750 2.616 1.00 0.00 H new ATOM 1097 N GLN A 76 6.308 8.382 4.410 1.00 0.00 N ATOM 1098 CA GLN A 76 4.906 8.742 4.275 1.00 0.00 C ATOM 1099 C GLN A 76 4.740 9.846 3.229 1.00 0.00 C ATOM 1100 O GLN A 76 3.898 9.741 2.338 1.00 0.00 O ATOM 1101 CB GLN A 76 4.318 9.170 5.621 1.00 0.00 C ATOM 1102 CG GLN A 76 3.811 7.959 6.407 1.00 0.00 C ATOM 1103 CD GLN A 76 3.579 8.317 7.877 1.00 0.00 C ATOM 1104 OE1 GLN A 76 2.488 8.194 8.407 1.00 0.00 O ATOM 1105 NE2 GLN A 76 4.664 8.767 8.502 1.00 0.00 N ATOM 0 H GLN A 76 6.609 8.192 5.366 1.00 0.00 H new ATOM 0 HA GLN A 76 4.356 7.863 3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.076 9.694 6.203 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.499 9.871 5.458 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.882 7.598 5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.534 7.147 6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.547 8.845 7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.612 9.034 9.485 1.00 0.00 H new ATOM 1114 N GLU A 77 5.557 10.880 3.371 1.00 0.00 N ATOM 1115 CA GLU A 77 5.511 12.002 2.449 1.00 0.00 C ATOM 1116 C GLU A 77 5.573 11.505 1.004 1.00 0.00 C ATOM 1117 O GLU A 77 4.733 11.867 0.182 1.00 0.00 O ATOM 1118 CB GLU A 77 6.639 12.995 2.737 1.00 0.00 C ATOM 1119 CG GLU A 77 6.097 14.420 2.861 1.00 0.00 C ATOM 1120 CD GLU A 77 5.572 14.926 1.515 1.00 0.00 C ATOM 1121 OE1 GLU A 77 4.411 14.591 1.197 1.00 0.00 O ATOM 1122 OE2 GLU A 77 6.345 15.637 0.836 1.00 0.00 O ATOM 0 H GLU A 77 6.254 10.964 4.111 1.00 0.00 H new ATOM 0 HA GLU A 77 4.566 12.526 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.149 12.715 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.379 12.952 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.297 14.445 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.884 15.082 3.221 1.00 0.00 H new ATOM 1129 N ARG A 78 6.578 10.683 0.738 1.00 0.00 N ATOM 1130 CA ARG A 78 6.761 10.132 -0.594 1.00 0.00 C ATOM 1131 C ARG A 78 5.669 9.104 -0.899 1.00 0.00 C ATOM 1132 O ARG A 78 4.870 9.295 -1.813 1.00 0.00 O ATOM 1133 CB ARG A 78 8.132 9.466 -0.731 1.00 0.00 C ATOM 1134 CG ARG A 78 8.720 9.702 -2.123 1.00 0.00 C ATOM 1135 CD ARG A 78 9.928 10.638 -2.056 1.00 0.00 C ATOM 1136 NE ARG A 78 10.311 11.069 -3.420 1.00 0.00 N ATOM 1137 CZ ARG A 78 9.715 12.076 -4.091 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.700 12.768 -3.529 1.00 0.00 N ATOM 1139 NH2 ARG A 78 10.138 12.376 -5.305 1.00 0.00 N ATOM 0 H ARG A 78 7.274 10.386 1.422 1.00 0.00 H new ATOM 0 HA ARG A 78 6.697 10.956 -1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.810 9.862 0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.040 8.395 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.017 8.750 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.959 10.130 -2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.691 11.508 -1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.766 10.131 -1.577 1.00 0.00 H new ATOM 0 HE ARG A 78 11.074 10.573 -3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.379 12.530 -2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.255 13.528 -4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.905 11.849 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.698 13.135 -5.825 1.00 0.00 H new ATOM 1152 N ALA A 79 5.671 8.036 -0.114 1.00 0.00 N ATOM 1153 CA ALA A 79 4.691 6.978 -0.288 1.00 0.00 C ATOM 1154 C ALA A 79 3.308 7.599 -0.497 1.00 0.00 C ATOM 1155 O ALA A 79 2.517 7.105 -1.299 1.00 0.00 O ATOM 1156 CB ALA A 79 4.733 6.039 0.919 1.00 0.00 C ATOM 0 H ALA A 79 6.336 7.881 0.644 1.00 0.00 H new ATOM 0 HA ALA A 79 4.922 6.383 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.998 5.245 0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.728 5.602 1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.504 6.600 1.825 1.00 0.00 H new ATOM 1162 N ALA A 80 3.060 8.672 0.239 1.00 0.00 N ATOM 1163 CA ALA A 80 1.786 9.365 0.145 1.00 0.00 C ATOM 1164 C ALA A 80 1.694 10.071 -1.210 1.00 0.00 C ATOM 1165 O ALA A 80 0.687 9.954 -1.907 1.00 0.00 O ATOM 1166 CB ALA A 80 1.645 10.336 1.319 1.00 0.00 C ATOM 0 H ALA A 80 3.719 9.079 0.903 1.00 0.00 H new ATOM 0 HA ALA A 80 0.959 8.658 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.690 10.856 1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.688 9.782 2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.457 11.063 1.289 1.00 0.00 H new ATOM 1172 N GLU A 81 2.757 10.788 -1.541 1.00 0.00 N ATOM 1173 CA GLU A 81 2.809 11.513 -2.800 1.00 0.00 C ATOM 1174 C GLU A 81 2.491 10.575 -3.966 1.00 0.00 C ATOM 1175 O GLU A 81 1.784 10.954 -4.897 1.00 0.00 O ATOM 1176 CB GLU A 81 4.170 12.184 -2.991 1.00 0.00 C ATOM 1177 CG GLU A 81 4.013 13.584 -3.586 1.00 0.00 C ATOM 1178 CD GLU A 81 4.198 13.558 -5.105 1.00 0.00 C ATOM 1179 OE1 GLU A 81 3.343 12.935 -5.770 1.00 0.00 O ATOM 1180 OE2 GLU A 81 5.190 14.163 -5.566 1.00 0.00 O ATOM 0 H GLU A 81 3.590 10.883 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 81 2.054 12.299 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.685 12.248 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.791 11.574 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.026 13.978 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.744 14.257 -3.138 1.00 0.00 H new ATOM 1187 N LEU A 82 3.030 9.367 -3.876 1.00 0.00 N ATOM 1188 CA LEU A 82 2.813 8.372 -4.912 1.00 0.00 C ATOM 1189 C LEU A 82 1.338 7.963 -4.919 1.00 0.00 C ATOM 1190 O LEU A 82 0.722 7.870 -5.979 1.00 0.00 O ATOM 1191 CB LEU A 82 3.776 7.197 -4.735 1.00 0.00 C ATOM 1192 CG LEU A 82 5.067 7.258 -5.556 1.00 0.00 C ATOM 1193 CD1 LEU A 82 6.244 6.679 -4.769 1.00 0.00 C ATOM 1194 CD2 LEU A 82 4.888 6.571 -6.911 1.00 0.00 C ATOM 0 H LEU A 82 3.616 9.056 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 82 3.033 8.790 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.042 7.127 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.248 6.279 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 82 5.297 8.305 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.149 6.734 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.385 7.251 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.038 5.638 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.820 6.629 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.621 5.525 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.095 7.069 -7.469 1.00 0.00 H new ATOM 1206 N MET A 83 0.816 7.729 -3.724 1.00 0.00 N ATOM 1207 CA MET A 83 -0.574 7.332 -3.579 1.00 0.00 C ATOM 1208 C MET A 83 -1.513 8.493 -3.911 1.00 0.00 C ATOM 1209 O MET A 83 -2.712 8.292 -4.100 1.00 0.00 O ATOM 1210 CB MET A 83 -0.825 6.866 -2.144 1.00 0.00 C ATOM 1211 CG MET A 83 -0.254 5.465 -1.914 1.00 0.00 C ATOM 1212 SD MET A 83 -1.258 4.583 -0.730 1.00 0.00 S ATOM 1213 CE MET A 83 -0.390 4.990 0.776 1.00 0.00 C ATOM 0 H MET A 83 1.331 7.807 -2.847 1.00 0.00 H new ATOM 0 HA MET A 83 -0.774 6.517 -4.275 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.369 7.567 -1.445 1.00 0.00 H new ATOM 0 HB3 MET A 83 -1.896 6.864 -1.941 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.222 4.917 -2.856 1.00 0.00 H new ATOM 0 HG3 MET A 83 0.772 5.536 -1.552 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.037 4.075 1.251 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.461 5.630 0.544 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.064 5.514 1.454 1.00 0.00 H new ATOM 1223 N THR A 84 -0.933 9.683 -3.973 1.00 0.00 N ATOM 1224 CA THR A 84 -1.703 10.876 -4.279 1.00 0.00 C ATOM 1225 C THR A 84 -2.166 10.853 -5.737 1.00 0.00 C ATOM 1226 O THR A 84 -3.334 10.589 -6.017 1.00 0.00 O ATOM 1227 CB THR A 84 -0.844 12.094 -3.934 1.00 0.00 C ATOM 1228 OG1 THR A 84 -0.504 11.902 -2.563 1.00 0.00 O ATOM 1229 CG2 THR A 84 -1.647 13.397 -3.939 1.00 0.00 C ATOM 0 H THR A 84 0.062 9.846 -3.816 1.00 0.00 H new ATOM 0 HA THR A 84 -2.614 10.922 -3.682 1.00 0.00 H new ATOM 0 HB THR A 84 -0.022 12.171 -4.645 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.196 11.220 -2.492 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.990 14.230 -3.688 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.074 13.557 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.449 13.333 -3.204 1.00 0.00 H new ATOM 1237 N ARG A 85 -1.226 11.132 -6.627 1.00 0.00 N ATOM 1238 CA ARG A 85 -1.523 11.146 -8.050 1.00 0.00 C ATOM 1239 C ARG A 85 -1.645 9.717 -8.581 1.00 0.00 C ATOM 1240 O ARG A 85 -0.996 9.358 -9.562 1.00 0.00 O ATOM 1241 CB ARG A 85 -0.434 11.883 -8.832 1.00 0.00 C ATOM 1242 CG ARG A 85 -0.761 13.372 -8.959 1.00 0.00 C ATOM 1243 CD ARG A 85 0.293 14.227 -8.253 1.00 0.00 C ATOM 1244 NE ARG A 85 1.369 14.590 -9.202 1.00 0.00 N ATOM 1245 CZ ARG A 85 1.216 15.451 -10.217 1.00 0.00 C ATOM 1246 NH1 ARG A 85 0.031 16.042 -10.422 1.00 0.00 N ATOM 1247 NH2 ARG A 85 2.249 15.720 -11.028 1.00 0.00 N ATOM 0 H ARG A 85 -0.258 11.350 -6.391 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.469 11.669 -8.186 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.526 11.760 -8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.333 11.443 -9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.812 13.648 -10.012 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.743 13.570 -8.529 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.168 15.129 -7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.711 13.679 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 85 2.284 14.158 -9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.755 15.836 -9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.085 16.697 -11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.151 15.269 -10.872 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.133 16.375 -11.801 1.00 0.00 H new ATOM 1261 N THR A 86 -2.481 8.939 -7.909 1.00 0.00 N ATOM 1262 CA THR A 86 -2.697 7.557 -8.301 1.00 0.00 C ATOM 1263 C THR A 86 -3.664 7.483 -9.484 1.00 0.00 C ATOM 1264 O THR A 86 -3.566 6.581 -10.315 1.00 0.00 O ATOM 1265 CB THR A 86 -3.181 6.787 -7.071 1.00 0.00 C ATOM 1266 OG1 THR A 86 -3.691 7.798 -6.206 1.00 0.00 O ATOM 1267 CG2 THR A 86 -2.029 6.166 -6.278 1.00 0.00 C ATOM 0 H THR A 86 -3.017 9.240 -7.095 1.00 0.00 H new ATOM 0 HA THR A 86 -1.773 7.095 -8.648 1.00 0.00 H new ATOM 0 HB THR A 86 -3.872 6.003 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.165 7.817 -5.379 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.427 5.631 -5.416 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.482 5.471 -6.915 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.356 6.953 -5.938 1.00 0.00 H new ATOM 1275 N SER A 87 -4.577 8.443 -9.522 1.00 0.00 N ATOM 1276 CA SER A 87 -5.561 8.497 -10.589 1.00 0.00 C ATOM 1277 C SER A 87 -6.718 7.544 -10.284 1.00 0.00 C ATOM 1278 O SER A 87 -6.727 6.887 -9.244 1.00 0.00 O ATOM 1279 CB SER A 87 -4.930 8.151 -11.939 1.00 0.00 C ATOM 1280 OG SER A 87 -5.479 8.928 -13.000 1.00 0.00 O ATOM 0 H SER A 87 -4.656 9.189 -8.831 1.00 0.00 H new ATOM 0 HA SER A 87 -5.944 9.516 -10.648 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.854 8.315 -11.889 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.081 7.092 -12.149 1.00 0.00 H new ATOM 0 HG SER A 87 -5.049 8.679 -13.845 1.00 0.00 H new ATOM 1286 N SER A 88 -7.665 7.497 -11.209 1.00 0.00 N ATOM 1287 CA SER A 88 -8.823 6.635 -11.052 1.00 0.00 C ATOM 1288 C SER A 88 -8.392 5.167 -11.092 1.00 0.00 C ATOM 1289 O SER A 88 -9.233 4.269 -11.086 1.00 0.00 O ATOM 1290 CB SER A 88 -9.867 6.911 -12.136 1.00 0.00 C ATOM 1291 OG SER A 88 -9.376 6.610 -13.439 1.00 0.00 O ATOM 0 H SER A 88 -7.654 8.043 -12.071 1.00 0.00 H new ATOM 0 HA SER A 88 -9.278 6.848 -10.085 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.760 6.317 -11.939 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.165 7.959 -12.094 1.00 0.00 H new ATOM 0 HG SER A 88 -10.072 6.798 -14.102 1.00 0.00 H new ATOM 1297 N VAL A 89 -7.083 4.969 -11.132 1.00 0.00 N ATOM 1298 CA VAL A 89 -6.530 3.626 -11.173 1.00 0.00 C ATOM 1299 C VAL A 89 -5.298 3.558 -10.268 1.00 0.00 C ATOM 1300 O VAL A 89 -4.391 4.380 -10.386 1.00 0.00 O ATOM 1301 CB VAL A 89 -6.232 3.226 -12.620 1.00 0.00 C ATOM 1302 CG1 VAL A 89 -5.691 4.416 -13.416 1.00 0.00 C ATOM 1303 CG2 VAL A 89 -5.263 2.044 -12.673 1.00 0.00 C ATOM 0 H VAL A 89 -6.389 5.716 -11.137 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.253 2.904 -10.793 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.168 2.912 -13.082 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.487 4.106 -14.441 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -6.430 5.217 -13.420 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.770 4.774 -12.955 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.068 1.780 -13.712 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.327 2.319 -12.187 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.702 1.190 -12.158 1.00 0.00 H new ATOM 1313 N VAL A 90 -5.306 2.570 -9.385 1.00 0.00 N ATOM 1314 CA VAL A 90 -4.200 2.384 -8.461 1.00 0.00 C ATOM 1315 C VAL A 90 -3.655 0.962 -8.603 1.00 0.00 C ATOM 1316 O VAL A 90 -4.371 -0.008 -8.357 1.00 0.00 O ATOM 1317 CB VAL A 90 -4.649 2.712 -7.035 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -3.573 3.505 -6.290 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -5.981 3.466 -7.040 1.00 0.00 C ATOM 0 H VAL A 90 -6.060 1.890 -9.290 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.386 3.069 -8.698 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.798 1.771 -6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.917 3.725 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.656 2.917 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.378 4.438 -6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.278 3.687 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.870 4.398 -7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.746 2.851 -7.514 1.00 0.00 H new ATOM 1329 N THR A 91 -2.394 0.882 -9.001 1.00 0.00 N ATOM 1330 CA THR A 91 -1.745 -0.405 -9.179 1.00 0.00 C ATOM 1331 C THR A 91 -0.491 -0.496 -8.307 1.00 0.00 C ATOM 1332 O THR A 91 0.555 0.046 -8.660 1.00 0.00 O ATOM 1333 CB THR A 91 -1.463 -0.590 -10.671 1.00 0.00 C ATOM 1334 OG1 THR A 91 -0.775 -1.836 -10.743 1.00 0.00 O ATOM 1335 CG2 THR A 91 -0.451 0.426 -11.205 1.00 0.00 C ATOM 0 H THR A 91 -1.804 1.689 -9.205 1.00 0.00 H new ATOM 0 HA THR A 91 -2.389 -1.221 -8.852 1.00 0.00 H new ATOM 0 HB THR A 91 -2.395 -0.503 -11.230 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.555 -2.035 -11.677 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.286 0.251 -12.268 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.837 1.435 -11.059 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.492 0.317 -10.669 1.00 0.00 H new ATOM 1343 N LEU A 92 -0.638 -1.185 -7.185 1.00 0.00 N ATOM 1344 CA LEU A 92 0.470 -1.354 -6.260 1.00 0.00 C ATOM 1345 C LEU A 92 0.573 -2.826 -5.858 1.00 0.00 C ATOM 1346 O LEU A 92 -0.284 -3.632 -6.214 1.00 0.00 O ATOM 1347 CB LEU A 92 0.327 -0.400 -5.073 1.00 0.00 C ATOM 1348 CG LEU A 92 -1.087 -0.238 -4.510 1.00 0.00 C ATOM 1349 CD1 LEU A 92 -2.001 0.461 -5.518 1.00 0.00 C ATOM 1350 CD2 LEU A 92 -1.655 -1.585 -4.058 1.00 0.00 C ATOM 0 H LEU A 92 -1.508 -1.633 -6.895 1.00 0.00 H new ATOM 0 HA LEU A 92 1.412 -1.088 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.978 -0.749 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.691 0.582 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.033 0.400 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.000 0.564 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.601 1.449 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.054 -0.131 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.660 -1.442 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.693 -2.267 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.016 -2.007 -3.282 1.00 0.00 H new ATOM 1362 N GLU A 93 1.631 -3.132 -5.120 1.00 0.00 N ATOM 1363 CA GLU A 93 1.857 -4.493 -4.665 1.00 0.00 C ATOM 1364 C GLU A 93 2.202 -4.504 -3.175 1.00 0.00 C ATOM 1365 O GLU A 93 3.203 -3.921 -2.761 1.00 0.00 O ATOM 1366 CB GLU A 93 2.955 -5.171 -5.487 1.00 0.00 C ATOM 1367 CG GLU A 93 2.654 -5.081 -6.985 1.00 0.00 C ATOM 1368 CD GLU A 93 3.606 -4.104 -7.678 1.00 0.00 C ATOM 1369 OE1 GLU A 93 4.715 -4.553 -8.040 1.00 0.00 O ATOM 1370 OE2 GLU A 93 3.203 -2.930 -7.830 1.00 0.00 O ATOM 0 H GLU A 93 2.340 -2.461 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 93 0.938 -5.061 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.915 -4.700 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.042 -6.217 -5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.747 -6.068 -7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.624 -4.758 -7.134 1.00 0.00 H new ATOM 1377 N VAL A 94 1.355 -5.175 -2.408 1.00 0.00 N ATOM 1378 CA VAL A 94 1.558 -5.269 -0.973 1.00 0.00 C ATOM 1379 C VAL A 94 1.830 -6.727 -0.595 1.00 0.00 C ATOM 1380 O VAL A 94 2.087 -7.559 -1.464 1.00 0.00 O ATOM 1381 CB VAL A 94 0.357 -4.675 -0.234 1.00 0.00 C ATOM 1382 CG1 VAL A 94 -0.101 -3.372 -0.892 1.00 0.00 C ATOM 1383 CG2 VAL A 94 -0.792 -5.682 -0.154 1.00 0.00 C ATOM 0 H VAL A 94 0.526 -5.659 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 94 2.429 -4.687 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 94 0.671 -4.445 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.956 -2.970 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.714 -2.649 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.388 -3.567 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.632 -5.234 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.104 -5.959 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.459 -6.572 0.380 1.00 0.00 H new ATOM 1393 N ALA A 95 1.763 -6.991 0.701 1.00 0.00 N ATOM 1394 CA ALA A 95 1.999 -8.334 1.204 1.00 0.00 C ATOM 1395 C ALA A 95 1.508 -8.426 2.650 1.00 0.00 C ATOM 1396 O ALA A 95 1.480 -7.425 3.365 1.00 0.00 O ATOM 1397 CB ALA A 95 3.484 -8.676 1.070 1.00 0.00 C ATOM 0 H ALA A 95 1.549 -6.298 1.418 1.00 0.00 H new ATOM 0 HA ALA A 95 1.442 -9.066 0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.661 -9.683 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.776 -8.625 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.075 -7.964 1.646 1.00 0.00 H new ATOM 1403 N LYS A 96 1.133 -9.636 3.038 1.00 0.00 N ATOM 1404 CA LYS A 96 0.644 -9.871 4.386 1.00 0.00 C ATOM 1405 C LYS A 96 0.494 -11.377 4.614 1.00 0.00 C ATOM 1406 O LYS A 96 0.903 -12.179 3.776 1.00 0.00 O ATOM 1407 CB LYS A 96 -0.641 -9.080 4.637 1.00 0.00 C ATOM 1408 CG LYS A 96 -1.707 -9.422 3.594 1.00 0.00 C ATOM 1409 CD LYS A 96 -3.037 -9.773 4.265 1.00 0.00 C ATOM 1410 CE LYS A 96 -4.082 -8.685 4.014 1.00 0.00 C ATOM 1411 NZ LYS A 96 -4.796 -8.935 2.742 1.00 0.00 N ATOM 0 H LYS A 96 1.158 -10.464 2.443 1.00 0.00 H new ATOM 0 HA LYS A 96 1.363 -9.507 5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.019 -9.301 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.427 -8.012 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.847 -8.576 2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.370 -10.261 2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.401 -10.727 3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.886 -9.896 5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.794 -8.660 4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.598 -7.709 3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.681 -8.115 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.402 -9.781 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.807 -9.084 2.935 1.00 0.00 H new ATOM 1425 N GLN A 97 -0.096 -11.715 5.751 1.00 0.00 N ATOM 1426 CA GLN A 97 -0.306 -13.110 6.099 1.00 0.00 C ATOM 1427 C GLN A 97 -1.047 -13.832 4.973 1.00 0.00 C ATOM 1428 O GLN A 97 -0.786 -15.004 4.704 1.00 0.00 O ATOM 1429 CB GLN A 97 -1.062 -13.237 7.423 1.00 0.00 C ATOM 1430 CG GLN A 97 -2.338 -12.392 7.409 1.00 0.00 C ATOM 1431 CD GLN A 97 -3.309 -12.848 8.500 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -3.956 -13.878 8.400 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -3.375 -12.026 9.544 1.00 0.00 N ATOM 0 H GLN A 97 -0.435 -11.047 6.443 1.00 0.00 H new ATOM 0 HA GLN A 97 0.668 -13.583 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.315 -14.282 7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.420 -12.919 8.244 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.085 -11.342 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.819 -12.469 6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.806 -11.180 9.564 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.995 -12.242 10.325 1.00 0.00 H new ATOM 1442 N GLY A 98 -1.957 -13.103 4.344 1.00 0.00 N ATOM 1443 CA GLY A 98 -2.739 -13.660 3.253 1.00 0.00 C ATOM 1444 C GLY A 98 -4.229 -13.373 3.443 1.00 0.00 C ATOM 1445 O GLY A 98 -4.681 -13.131 4.562 1.00 0.00 O ATOM 0 H GLY A 98 -2.170 -12.131 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.402 -13.237 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.577 -14.736 3.197 1.00 0.00 H new ATOM 1449 N ALA A 99 -4.953 -13.408 2.334 1.00 0.00 N ATOM 1450 CA ALA A 99 -6.383 -13.155 2.364 1.00 0.00 C ATOM 1451 C ALA A 99 -6.979 -13.452 0.987 1.00 0.00 C ATOM 1452 O ALA A 99 -7.229 -12.536 0.204 1.00 0.00 O ATOM 1453 CB ALA A 99 -6.637 -11.714 2.811 1.00 0.00 C ATOM 0 H ALA A 99 -4.575 -13.608 1.408 1.00 0.00 H new ATOM 0 HA ALA A 99 -6.873 -13.811 3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.710 -11.524 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.221 -11.563 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.161 -11.027 2.111 1.00 0.00 H new ATOM 1459 N ILE A 100 -7.189 -14.735 0.732 1.00 0.00 N ATOM 1460 CA ILE A 100 -7.751 -15.164 -0.537 1.00 0.00 C ATOM 1461 C ILE A 100 -9.265 -15.327 -0.391 1.00 0.00 C ATOM 1462 O ILE A 100 -9.731 -16.171 0.373 1.00 0.00 O ATOM 1463 CB ILE A 100 -7.043 -16.424 -1.038 1.00 0.00 C ATOM 1464 CG1 ILE A 100 -5.558 -16.154 -1.291 1.00 0.00 C ATOM 1465 CG2 ILE A 100 -7.741 -16.990 -2.276 1.00 0.00 C ATOM 1466 CD1 ILE A 100 -4.705 -17.357 -0.884 1.00 0.00 C ATOM 0 H ILE A 100 -6.980 -15.492 1.383 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.584 -14.406 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.105 -17.183 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.400 -15.932 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.244 -15.274 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.217 -17.885 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.772 -17.244 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.732 -16.245 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.654 -17.139 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.847 -17.561 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.005 -18.229 -1.465 1.00 0.00 H new ATOM 1478 N TYR A 101 -9.992 -14.506 -1.135 1.00 0.00 N ATOM 1479 CA TYR A 101 -11.443 -14.548 -1.097 1.00 0.00 C ATOM 1480 C TYR A 101 -11.976 -15.769 -1.850 1.00 0.00 C ATOM 1481 O TYR A 101 -12.824 -16.497 -1.338 1.00 0.00 O ATOM 1482 CB TYR A 101 -11.921 -13.279 -1.805 1.00 0.00 C ATOM 1483 CG TYR A 101 -13.377 -12.912 -1.511 1.00 0.00 C ATOM 1484 CD1 TYR A 101 -13.754 -12.558 -0.231 1.00 0.00 C ATOM 1485 CD2 TYR A 101 -14.313 -12.936 -2.525 1.00 0.00 C ATOM 1486 CE1 TYR A 101 -15.124 -12.213 0.046 1.00 0.00 C ATOM 1487 CE2 TYR A 101 -15.683 -12.591 -2.247 1.00 0.00 C ATOM 1488 CZ TYR A 101 -16.021 -12.246 -0.976 1.00 0.00 C ATOM 1489 OH TYR A 101 -17.316 -11.920 -0.714 1.00 0.00 O ATOM 0 H TYR A 101 -9.602 -13.808 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.798 -14.612 -0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -11.281 -12.448 -1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -11.800 -13.408 -2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.021 -12.540 0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.018 -13.213 -3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -15.433 -11.934 1.043 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -16.426 -12.606 -3.031 1.00 0.00 H new ATOM 0 HH TYR A 101 -17.843 -11.986 -1.538 1.00 0.00 H new TER 1499 TYR A 101