USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 769 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 20 MET CE :methyl -129:sc= -0.159 (180deg=-0.671) USER MOD Set 1.2: A 98 SER OG : rot 78:sc=0.000736 USER MOD Single : A 3 SER OG : rot -23:sc= 0.196 USER MOD Single : A 7 MET CE :methyl 142:sc= -0.213 (180deg=-0.854) USER MOD Single : A 11 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 13 MET CE :methyl -125:sc= -0.116 (180deg=-2.22) USER MOD Single : A 14 MET CE :methyl 151:sc= -0.448 (180deg=-2.14!) USER MOD Single : A 17 THR OG1 : rot 75:sc= 1.28 USER MOD Single : A 19 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.31) USER MOD Single : A 26 GLN : amide:sc= -0.0224 X(o=-0.022,f=0.094) USER MOD Single : A 27 GLN : amide:sc= 0.648 K(o=0.65,f=-0.61) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.66) USER MOD Single : A 68 CYS SG : rot 90:sc= -3.58! USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 1.27 (180deg=0.791) USER MOD Single : A 72 HIS : no HD1:sc= 0.41 K(o=0.41,f=-6.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 95:sc= 0.0441 USER MOD Single : A 76 CYS SG : rot 137:sc= -4.29! USER MOD Single : A 85 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.38) USER MOD Single : A 90 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.76) USER MOD Single : A 95 GLN : amide:sc= -1.73 K(o=-1.7,f=-3.8!) USER MOD Single : A 99 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.03) USER MOD Single : A 103 SER OG : rot -71:sc= 1.2 USER MOD Single : A 106 GLN : amide:sc= -2.28 X(o=-2.3,f=-2.2!) USER MOD Single : A 112 MET CE :methyl 150:sc= -0.478 (180deg=-1.96) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 3 -22.584 4.985 -2.968 1.00 0.00 N ATOM 38 CA SER A 3 -22.362 4.970 -1.560 1.00 0.00 C ATOM 39 C SER A 3 -20.910 5.358 -1.299 1.00 0.00 C ATOM 40 O SER A 3 -20.046 5.138 -2.163 1.00 0.00 O ATOM 41 CB SER A 3 -22.671 3.576 -0.998 1.00 0.00 C ATOM 42 OG SER A 3 -22.026 2.565 -1.757 1.00 0.00 O ATOM 0 HA SER A 3 -23.020 5.682 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.345 3.519 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.748 3.408 -1.004 1.00 0.00 H new ATOM 0 HG SER A 3 -21.832 2.904 -2.656 1.00 0.00 H new ATOM 48 N PRO A 4 -20.611 5.958 -0.127 1.00 0.00 N ATOM 49 CA PRO A 4 -19.239 6.366 0.235 1.00 0.00 C ATOM 50 C PRO A 4 -18.252 5.200 0.154 1.00 0.00 C ATOM 51 O PRO A 4 -17.034 5.401 0.113 1.00 0.00 O ATOM 52 CB PRO A 4 -19.379 6.840 1.685 1.00 0.00 C ATOM 53 CG PRO A 4 -20.808 7.238 1.815 1.00 0.00 C ATOM 54 CD PRO A 4 -21.581 6.304 0.931 1.00 0.00 C ATOM 0 HA PRO A 4 -18.848 7.126 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.123 6.047 2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -18.714 7.678 1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.142 7.161 2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -20.954 8.274 1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -21.916 5.420 1.474 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.470 6.782 0.521 1.00 0.00 H new ATOM 62 N ALA A 5 -18.798 3.988 0.111 1.00 0.00 N ATOM 63 CA ALA A 5 -18.015 2.775 0.042 1.00 0.00 C ATOM 64 C ALA A 5 -17.124 2.745 -1.197 1.00 0.00 C ATOM 65 O ALA A 5 -15.994 2.290 -1.123 1.00 0.00 O ATOM 66 CB ALA A 5 -18.924 1.553 0.072 1.00 0.00 C ATOM 0 H ALA A 5 -19.805 3.827 0.124 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.364 2.755 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.319 0.648 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.500 1.551 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.604 1.585 -0.779 1.00 0.00 H new ATOM 72 N GLU A 6 -17.622 3.246 -2.335 1.00 0.00 N ATOM 73 CA GLU A 6 -16.815 3.224 -3.552 1.00 0.00 C ATOM 74 C GLU A 6 -15.613 4.149 -3.421 1.00 0.00 C ATOM 75 O GLU A 6 -14.478 3.755 -3.694 1.00 0.00 O ATOM 76 CB GLU A 6 -17.635 3.577 -4.793 1.00 0.00 C ATOM 77 CG GLU A 6 -16.829 3.489 -6.086 1.00 0.00 C ATOM 78 CD GLU A 6 -17.644 3.807 -7.311 1.00 0.00 C ATOM 79 OE1 GLU A 6 -17.986 2.874 -8.065 1.00 0.00 O ATOM 80 OE2 GLU A 6 -17.956 4.986 -7.527 1.00 0.00 O ATOM 0 H GLU A 6 -18.550 3.658 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.457 2.203 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.491 2.906 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.030 4.587 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.985 4.177 -6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.416 2.485 -6.182 1.00 0.00 H new ATOM 87 N MET A 7 -15.876 5.366 -2.994 1.00 0.00 N ATOM 88 CA MET A 7 -14.836 6.377 -2.793 1.00 0.00 C ATOM 89 C MET A 7 -13.710 5.864 -1.893 1.00 0.00 C ATOM 90 O MET A 7 -12.525 6.038 -2.199 1.00 0.00 O ATOM 91 CB MET A 7 -15.445 7.642 -2.190 1.00 0.00 C ATOM 92 CG MET A 7 -14.427 8.715 -1.839 1.00 0.00 C ATOM 93 SD MET A 7 -15.185 10.170 -1.087 1.00 0.00 S ATOM 94 CE MET A 7 -15.930 9.456 0.382 1.00 0.00 C ATOM 0 H MET A 7 -16.817 5.692 -2.773 1.00 0.00 H new ATOM 0 HA MET A 7 -14.406 6.605 -3.768 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.166 8.057 -2.895 1.00 0.00 H new ATOM 0 HB3 MET A 7 -15.998 7.373 -1.290 1.00 0.00 H new ATOM 0 HG2 MET A 7 -13.688 8.300 -1.154 1.00 0.00 H new ATOM 0 HG3 MET A 7 -13.893 9.013 -2.741 1.00 0.00 H new ATOM 0 HE1 MET A 7 -15.829 10.151 1.216 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.987 9.263 0.197 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.428 8.520 0.627 1.00 0.00 H new ATOM 104 N VAL A 8 -14.077 5.221 -0.799 1.00 0.00 N ATOM 105 CA VAL A 8 -13.086 4.727 0.138 1.00 0.00 C ATOM 106 C VAL A 8 -12.424 3.443 -0.373 1.00 0.00 C ATOM 107 O VAL A 8 -11.242 3.216 -0.134 1.00 0.00 O ATOM 108 CB VAL A 8 -13.667 4.517 1.564 1.00 0.00 C ATOM 109 CG1 VAL A 8 -14.122 5.845 2.152 1.00 0.00 C ATOM 110 CG2 VAL A 8 -14.814 3.523 1.556 1.00 0.00 C ATOM 0 H VAL A 8 -15.045 5.030 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.322 5.500 0.214 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.874 4.106 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.526 5.681 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.273 6.526 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.893 6.280 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.196 3.400 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.611 3.892 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.460 2.562 1.183 1.00 0.00 H new ATOM 120 N LEU A 9 -13.181 2.632 -1.108 1.00 0.00 N ATOM 121 CA LEU A 9 -12.664 1.386 -1.670 1.00 0.00 C ATOM 122 C LEU A 9 -11.614 1.694 -2.725 1.00 0.00 C ATOM 123 O LEU A 9 -10.577 1.032 -2.801 1.00 0.00 O ATOM 124 CB LEU A 9 -13.822 0.558 -2.272 1.00 0.00 C ATOM 125 CG LEU A 9 -13.517 -0.900 -2.663 1.00 0.00 C ATOM 126 CD1 LEU A 9 -14.805 -1.692 -2.746 1.00 0.00 C ATOM 127 CD2 LEU A 9 -12.792 -0.973 -3.998 1.00 0.00 C ATOM 0 H LEU A 9 -14.159 2.816 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.198 0.798 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.641 0.550 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.182 1.077 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.870 -1.325 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.581 -2.722 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.304 -1.677 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.458 -1.248 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.591 -2.015 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.414 -0.529 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.851 -0.428 -3.931 1.00 0.00 H new ATOM 139 N GLU A 10 -11.882 2.717 -3.522 1.00 0.00 N ATOM 140 CA GLU A 10 -10.975 3.139 -4.556 1.00 0.00 C ATOM 141 C GLU A 10 -9.704 3.653 -3.921 1.00 0.00 C ATOM 142 O GLU A 10 -8.625 3.301 -4.327 1.00 0.00 O ATOM 143 CB GLU A 10 -11.619 4.240 -5.407 1.00 0.00 C ATOM 144 CG GLU A 10 -10.853 4.573 -6.678 1.00 0.00 C ATOM 145 CD GLU A 10 -10.937 3.468 -7.710 1.00 0.00 C ATOM 146 OE1 GLU A 10 -11.685 3.628 -8.696 1.00 0.00 O ATOM 147 OE2 GLU A 10 -10.268 2.429 -7.538 1.00 0.00 O ATOM 0 H GLU A 10 -12.736 3.272 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.743 2.292 -5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.630 3.932 -5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.710 5.143 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.247 5.495 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.807 4.757 -6.431 1.00 0.00 H new ATOM 154 N THR A 11 -9.865 4.468 -2.889 1.00 0.00 N ATOM 155 CA THR A 11 -8.739 5.044 -2.174 1.00 0.00 C ATOM 156 C THR A 11 -7.904 3.944 -1.523 1.00 0.00 C ATOM 157 O THR A 11 -6.677 4.016 -1.484 1.00 0.00 O ATOM 158 CB THR A 11 -9.218 6.056 -1.106 1.00 0.00 C ATOM 159 OG1 THR A 11 -10.062 7.046 -1.724 1.00 0.00 O ATOM 160 CG2 THR A 11 -8.036 6.755 -0.447 1.00 0.00 C ATOM 0 H THR A 11 -10.776 4.747 -2.526 1.00 0.00 H new ATOM 0 HA THR A 11 -8.119 5.578 -2.894 1.00 0.00 H new ATOM 0 HB THR A 11 -9.773 5.509 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.984 6.714 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.401 7.461 0.299 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.398 6.014 0.035 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.462 7.291 -1.203 1.00 0.00 H new ATOM 168 N LEU A 12 -8.585 2.924 -1.050 1.00 0.00 N ATOM 169 CA LEU A 12 -7.982 1.784 -0.429 1.00 0.00 C ATOM 170 C LEU A 12 -7.147 1.018 -1.459 1.00 0.00 C ATOM 171 O LEU A 12 -5.947 0.804 -1.275 1.00 0.00 O ATOM 172 CB LEU A 12 -9.106 0.901 0.121 1.00 0.00 C ATOM 173 CG LEU A 12 -8.689 -0.284 0.953 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.081 0.175 2.266 1.00 0.00 C ATOM 175 CD2 LEU A 12 -9.870 -1.204 1.205 1.00 0.00 C ATOM 0 H LEU A 12 -9.603 2.871 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.320 2.088 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.765 1.525 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.695 0.536 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.933 -0.842 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.786 -0.694 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.205 0.792 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.815 0.757 2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.548 -2.053 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.650 -0.658 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.262 -1.562 0.253 1.00 0.00 H new ATOM 187 N MET A 13 -7.792 0.643 -2.558 1.00 0.00 N ATOM 188 CA MET A 13 -7.136 -0.078 -3.647 1.00 0.00 C ATOM 189 C MET A 13 -6.109 0.804 -4.356 1.00 0.00 C ATOM 190 O MET A 13 -5.219 0.312 -5.039 1.00 0.00 O ATOM 191 CB MET A 13 -8.162 -0.586 -4.671 1.00 0.00 C ATOM 192 CG MET A 13 -9.174 -1.604 -4.140 1.00 0.00 C ATOM 193 SD MET A 13 -8.428 -3.167 -3.612 1.00 0.00 S ATOM 194 CE MET A 13 -8.156 -2.856 -1.870 1.00 0.00 C ATOM 0 H MET A 13 -8.782 0.829 -2.721 1.00 0.00 H new ATOM 0 HA MET A 13 -6.623 -0.931 -3.202 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.708 0.270 -5.068 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.624 -1.036 -5.506 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.710 -1.165 -3.298 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.912 -1.808 -4.916 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.107 -3.026 -1.630 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.418 -1.824 -1.639 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.777 -3.529 -1.279 1.00 0.00 H new ATOM 204 N MET A 14 -6.212 2.100 -4.142 1.00 0.00 N ATOM 205 CA MET A 14 -5.324 3.056 -4.793 1.00 0.00 C ATOM 206 C MET A 14 -4.082 3.235 -3.950 1.00 0.00 C ATOM 207 O MET A 14 -2.972 3.357 -4.469 1.00 0.00 O ATOM 208 CB MET A 14 -6.031 4.394 -5.026 1.00 0.00 C ATOM 209 CG MET A 14 -5.165 5.469 -5.662 1.00 0.00 C ATOM 210 SD MET A 14 -6.134 6.877 -6.250 1.00 0.00 S ATOM 211 CE MET A 14 -7.138 7.238 -4.807 1.00 0.00 C ATOM 0 H MET A 14 -6.903 2.522 -3.521 1.00 0.00 H new ATOM 0 HA MET A 14 -5.038 2.669 -5.771 1.00 0.00 H new ATOM 0 HB2 MET A 14 -6.900 4.224 -5.661 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.402 4.764 -4.070 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.429 5.816 -4.936 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.611 5.039 -6.496 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.381 8.300 -4.790 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.058 6.655 -4.849 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.585 6.978 -3.905 1.00 0.00 H new ATOM 221 N GLU A 15 -4.280 3.221 -2.636 1.00 0.00 N ATOM 222 CA GLU A 15 -3.197 3.321 -1.689 1.00 0.00 C ATOM 223 C GLU A 15 -2.336 2.094 -1.834 1.00 0.00 C ATOM 224 O GLU A 15 -1.113 2.174 -1.961 1.00 0.00 O ATOM 225 CB GLU A 15 -3.770 3.395 -0.267 1.00 0.00 C ATOM 226 CG GLU A 15 -2.774 3.809 0.796 1.00 0.00 C ATOM 227 CD GLU A 15 -2.287 5.225 0.604 1.00 0.00 C ATOM 228 OE1 GLU A 15 -1.219 5.560 1.124 1.00 0.00 O ATOM 229 OE2 GLU A 15 -2.968 6.005 -0.090 1.00 0.00 O ATOM 0 H GLU A 15 -5.201 3.139 -2.206 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.605 4.217 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.601 4.100 -0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.178 2.419 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.235 3.716 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.923 3.129 0.778 1.00 0.00 H new ATOM 236 N LEU A 16 -3.002 0.957 -1.831 1.00 0.00 N ATOM 237 CA LEU A 16 -2.366 -0.322 -2.015 1.00 0.00 C ATOM 238 C LEU A 16 -1.566 -0.357 -3.318 1.00 0.00 C ATOM 239 O LEU A 16 -0.432 -0.807 -3.343 1.00 0.00 O ATOM 240 CB LEU A 16 -3.435 -1.417 -2.020 1.00 0.00 C ATOM 241 CG LEU A 16 -2.934 -2.848 -2.217 1.00 0.00 C ATOM 242 CD1 LEU A 16 -1.959 -3.238 -1.114 1.00 0.00 C ATOM 243 CD2 LEU A 16 -4.103 -3.812 -2.258 1.00 0.00 C ATOM 0 H LEU A 16 -4.012 0.900 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.669 -0.491 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.977 -1.371 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.151 -1.193 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.405 -2.899 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.616 -4.260 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.104 -2.562 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.458 -3.171 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.733 -4.827 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.655 -3.754 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.763 -3.549 -3.085 1.00 0.00 H new ATOM 255 N THR A 17 -2.159 0.157 -4.376 1.00 0.00 N ATOM 256 CA THR A 17 -1.532 0.138 -5.694 1.00 0.00 C ATOM 257 C THR A 17 -0.319 1.075 -5.781 1.00 0.00 C ATOM 258 O THR A 17 0.778 0.641 -6.133 1.00 0.00 O ATOM 259 CB THR A 17 -2.544 0.478 -6.808 1.00 0.00 C ATOM 260 OG1 THR A 17 -3.567 -0.531 -6.861 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.862 0.578 -8.168 1.00 0.00 C ATOM 0 H THR A 17 -3.079 0.597 -4.354 1.00 0.00 H new ATOM 0 HA THR A 17 -1.175 -0.881 -5.844 1.00 0.00 H new ATOM 0 HB THR A 17 -2.987 1.446 -6.574 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.179 -0.417 -6.104 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.603 0.819 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.105 1.361 -8.138 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.390 -0.374 -8.409 1.00 0.00 H new ATOM 269 N GLY A 18 -0.521 2.346 -5.451 1.00 0.00 N ATOM 270 CA GLY A 18 0.536 3.323 -5.544 1.00 0.00 C ATOM 271 C GLY A 18 1.715 2.970 -4.697 1.00 0.00 C ATOM 272 O GLY A 18 2.856 3.221 -5.078 1.00 0.00 O ATOM 0 H GLY A 18 -1.411 2.715 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.853 3.414 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.154 4.298 -5.241 1.00 0.00 H new ATOM 276 N GLN A 19 1.452 2.359 -3.566 1.00 0.00 N ATOM 277 CA GLN A 19 2.504 1.994 -2.665 1.00 0.00 C ATOM 278 C GLN A 19 3.124 0.668 -3.050 1.00 0.00 C ATOM 279 O GLN A 19 4.290 0.438 -2.791 1.00 0.00 O ATOM 280 CB GLN A 19 2.025 2.006 -1.216 1.00 0.00 C ATOM 281 CG GLN A 19 2.180 3.368 -0.541 1.00 0.00 C ATOM 282 CD GLN A 19 1.538 4.504 -1.320 1.00 0.00 C ATOM 283 OE1 GLN A 19 2.157 5.102 -2.197 1.00 0.00 O ATOM 284 NE2 GLN A 19 0.317 4.828 -0.987 1.00 0.00 N ATOM 0 H GLN A 19 0.515 2.106 -3.253 1.00 0.00 H new ATOM 0 HA GLN A 19 3.288 2.747 -2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.977 1.710 -1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.584 1.261 -0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.738 3.324 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.241 3.581 -0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.166 4.309 -0.254 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.153 5.600 -1.460 1.00 0.00 H new ATOM 293 N MET A 20 2.340 -0.207 -3.666 1.00 0.00 N ATOM 294 CA MET A 20 2.866 -1.468 -4.173 1.00 0.00 C ATOM 295 C MET A 20 3.826 -1.173 -5.305 1.00 0.00 C ATOM 296 O MET A 20 4.889 -1.784 -5.425 1.00 0.00 O ATOM 297 CB MET A 20 1.727 -2.380 -4.643 1.00 0.00 C ATOM 298 CG MET A 20 2.169 -3.775 -5.050 1.00 0.00 C ATOM 299 SD MET A 20 0.776 -4.892 -5.340 1.00 0.00 S ATOM 300 CE MET A 20 0.103 -5.034 -3.684 1.00 0.00 C ATOM 0 H MET A 20 1.342 -0.068 -3.826 1.00 0.00 H new ATOM 0 HA MET A 20 3.395 -1.992 -3.377 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.991 -2.464 -3.843 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.226 -1.909 -5.489 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.772 -3.711 -5.955 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.807 -4.191 -4.271 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.020 -6.087 -3.430 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.784 -4.566 -2.973 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.865 -4.535 -3.641 1.00 0.00 H new ATOM 310 N ARG A 21 3.443 -0.203 -6.110 1.00 0.00 N ATOM 311 CA ARG A 21 4.267 0.285 -7.202 1.00 0.00 C ATOM 312 C ARG A 21 5.504 0.976 -6.637 1.00 0.00 C ATOM 313 O ARG A 21 6.635 0.635 -6.988 1.00 0.00 O ATOM 314 CB ARG A 21 3.459 1.269 -8.055 1.00 0.00 C ATOM 315 CG ARG A 21 4.239 1.916 -9.190 1.00 0.00 C ATOM 316 CD ARG A 21 3.399 2.971 -9.888 1.00 0.00 C ATOM 317 NE ARG A 21 4.122 3.644 -10.966 1.00 0.00 N ATOM 318 CZ ARG A 21 4.415 4.949 -10.975 1.00 0.00 C ATOM 319 NH1 ARG A 21 4.157 5.702 -9.911 1.00 0.00 N ATOM 320 NH2 ARG A 21 4.991 5.492 -12.041 1.00 0.00 N ATOM 0 H ARG A 21 2.545 0.274 -6.026 1.00 0.00 H new ATOM 0 HA ARG A 21 4.580 -0.552 -7.826 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.601 0.745 -8.475 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.068 2.054 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.150 2.370 -8.799 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.545 1.155 -9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.501 2.505 -10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.072 3.711 -9.158 1.00 0.00 H new ATOM 0 HE ARG A 21 4.422 3.082 -11.763 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.733 5.285 -9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.383 6.697 -9.923 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.210 4.914 -12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.215 6.487 -12.048 1.00 0.00 H new ATOM 334 N GLU A 22 5.268 1.964 -5.765 1.00 0.00 N ATOM 335 CA GLU A 22 6.351 2.693 -5.096 1.00 0.00 C ATOM 336 C GLU A 22 7.325 1.728 -4.429 1.00 0.00 C ATOM 337 O GLU A 22 8.544 1.899 -4.515 1.00 0.00 O ATOM 338 CB GLU A 22 5.777 3.668 -4.062 1.00 0.00 C ATOM 339 CG GLU A 22 6.820 4.542 -3.383 1.00 0.00 C ATOM 340 CD GLU A 22 6.201 5.560 -2.447 1.00 0.00 C ATOM 341 OE1 GLU A 22 6.075 5.270 -1.242 1.00 0.00 O ATOM 342 OE2 GLU A 22 5.836 6.662 -2.921 1.00 0.00 O ATOM 0 H GLU A 22 4.333 2.277 -5.506 1.00 0.00 H new ATOM 0 HA GLU A 22 6.896 3.261 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.045 4.310 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.244 3.100 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.510 3.911 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.406 5.060 -4.142 1.00 0.00 H new ATOM 349 N ALA A 23 6.781 0.712 -3.772 1.00 0.00 N ATOM 350 CA ALA A 23 7.600 -0.305 -3.110 1.00 0.00 C ATOM 351 C ALA A 23 8.548 -0.984 -4.087 1.00 0.00 C ATOM 352 O ALA A 23 9.725 -1.194 -3.774 1.00 0.00 O ATOM 353 CB ALA A 23 6.725 -1.335 -2.429 1.00 0.00 C ATOM 0 H ALA A 23 5.775 0.567 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 23 8.202 0.201 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.353 -2.082 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.100 -0.845 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.091 -1.821 -3.170 1.00 0.00 H new ATOM 359 N GLU A 24 8.041 -1.327 -5.267 1.00 0.00 N ATOM 360 CA GLU A 24 8.868 -1.975 -6.283 1.00 0.00 C ATOM 361 C GLU A 24 9.970 -1.031 -6.748 1.00 0.00 C ATOM 362 O GLU A 24 11.134 -1.422 -6.867 1.00 0.00 O ATOM 363 CB GLU A 24 8.031 -2.394 -7.483 1.00 0.00 C ATOM 364 CG GLU A 24 8.814 -3.208 -8.501 1.00 0.00 C ATOM 365 CD GLU A 24 8.198 -3.165 -9.874 1.00 0.00 C ATOM 366 OE1 GLU A 24 7.240 -3.920 -10.125 1.00 0.00 O ATOM 367 OE2 GLU A 24 8.672 -2.367 -10.708 1.00 0.00 O ATOM 0 H GLU A 24 7.072 -1.170 -5.543 1.00 0.00 H new ATOM 0 HA GLU A 24 9.311 -2.864 -5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.178 -2.979 -7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.631 -1.504 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.836 -2.832 -8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.872 -4.243 -8.165 1.00 0.00 H new ATOM 374 N ARG A 25 9.592 0.219 -7.005 1.00 0.00 N ATOM 375 CA ARG A 25 10.538 1.239 -7.459 1.00 0.00 C ATOM 376 C ARG A 25 11.651 1.434 -6.442 1.00 0.00 C ATOM 377 O ARG A 25 12.820 1.599 -6.808 1.00 0.00 O ATOM 378 CB ARG A 25 9.822 2.569 -7.720 1.00 0.00 C ATOM 379 CG ARG A 25 9.246 2.722 -9.128 1.00 0.00 C ATOM 380 CD ARG A 25 8.301 1.587 -9.499 1.00 0.00 C ATOM 381 NE ARG A 25 7.600 1.858 -10.752 1.00 0.00 N ATOM 382 CZ ARG A 25 6.934 0.948 -11.470 1.00 0.00 C ATOM 383 NH1 ARG A 25 6.945 -0.328 -11.122 1.00 0.00 N ATOM 384 NH2 ARG A 25 6.286 1.319 -12.562 1.00 0.00 N ATOM 0 H ARG A 25 8.633 0.552 -6.906 1.00 0.00 H new ATOM 0 HA ARG A 25 10.979 0.894 -8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.013 2.678 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.522 3.384 -7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.714 3.671 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.063 2.761 -9.849 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.865 0.659 -9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.575 1.441 -8.699 1.00 0.00 H new ATOM 0 HE ARG A 25 7.620 2.814 -11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.466 -0.627 -10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.433 -1.013 -11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.296 2.296 -12.853 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.777 0.628 -13.112 1.00 0.00 H new ATOM 398 N GLN A 26 11.283 1.401 -5.166 1.00 0.00 N ATOM 399 CA GLN A 26 12.242 1.538 -4.083 1.00 0.00 C ATOM 400 C GLN A 26 13.227 0.377 -4.101 1.00 0.00 C ATOM 401 O GLN A 26 14.438 0.577 -4.044 1.00 0.00 O ATOM 402 CB GLN A 26 11.521 1.598 -2.731 1.00 0.00 C ATOM 403 CG GLN A 26 12.456 1.730 -1.534 1.00 0.00 C ATOM 404 CD GLN A 26 13.271 3.005 -1.570 1.00 0.00 C ATOM 405 OE1 GLN A 26 14.363 3.039 -2.133 1.00 0.00 O ATOM 406 NE2 GLN A 26 12.752 4.055 -0.972 1.00 0.00 N ATOM 0 H GLN A 26 10.318 1.279 -4.858 1.00 0.00 H new ATOM 0 HA GLN A 26 12.792 2.468 -4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.832 2.443 -2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.920 0.697 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.870 1.704 -0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.129 0.873 -1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.842 3.984 -0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.259 4.940 -0.964 1.00 0.00 H new ATOM 415 N GLN A 27 12.700 -0.837 -4.199 1.00 0.00 N ATOM 416 CA GLN A 27 13.537 -2.028 -4.239 1.00 0.00 C ATOM 417 C GLN A 27 14.420 -2.048 -5.480 1.00 0.00 C ATOM 418 O GLN A 27 15.563 -2.498 -5.429 1.00 0.00 O ATOM 419 CB GLN A 27 12.691 -3.297 -4.154 1.00 0.00 C ATOM 420 CG GLN A 27 12.503 -3.800 -2.732 1.00 0.00 C ATOM 421 CD GLN A 27 11.594 -5.009 -2.643 1.00 0.00 C ATOM 422 OE1 GLN A 27 11.465 -5.780 -3.591 1.00 0.00 O ATOM 423 NE2 GLN A 27 10.991 -5.204 -1.487 1.00 0.00 N ATOM 0 H GLN A 27 11.698 -1.022 -4.252 1.00 0.00 H new ATOM 0 HA GLN A 27 14.191 -1.997 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.713 -3.104 -4.596 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.161 -4.079 -4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.476 -4.053 -2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.090 -2.997 -2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.124 -4.540 -0.724 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.392 -6.019 -1.355 1.00 0.00 H new ATOM 432 N ARG A 28 13.896 -1.543 -6.587 1.00 0.00 N ATOM 433 CA ARG A 28 14.661 -1.487 -7.825 1.00 0.00 C ATOM 434 C ARG A 28 15.782 -0.467 -7.699 1.00 0.00 C ATOM 435 O ARG A 28 16.882 -0.663 -8.218 1.00 0.00 O ATOM 436 CB ARG A 28 13.749 -1.161 -9.014 1.00 0.00 C ATOM 437 CG ARG A 28 14.395 -1.410 -10.369 1.00 0.00 C ATOM 438 CD ARG A 28 13.350 -1.525 -11.467 1.00 0.00 C ATOM 439 NE ARG A 28 13.947 -1.856 -12.762 1.00 0.00 N ATOM 440 CZ ARG A 28 13.869 -3.058 -13.352 1.00 0.00 C ATOM 441 NH1 ARG A 28 13.213 -4.051 -12.768 1.00 0.00 N ATOM 442 NH2 ARG A 28 14.447 -3.257 -14.530 1.00 0.00 N ATOM 0 H ARG A 28 12.950 -1.168 -6.654 1.00 0.00 H new ATOM 0 HA ARG A 28 15.105 -2.466 -8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.841 -1.760 -8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.447 -0.116 -8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.082 -0.596 -10.602 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.986 -2.325 -10.330 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.623 -2.291 -11.197 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.806 -0.584 -11.549 1.00 0.00 H new ATOM 0 HE ARG A 28 14.458 -1.121 -13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.764 -3.903 -11.864 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.158 -4.963 -13.222 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.950 -2.496 -14.986 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.388 -4.171 -14.979 1.00 0.00 H new ATOM 456 N GLU A 29 15.505 0.610 -6.984 1.00 0.00 N ATOM 457 CA GLU A 29 16.496 1.637 -6.738 1.00 0.00 C ATOM 458 C GLU A 29 17.557 1.095 -5.791 1.00 0.00 C ATOM 459 O GLU A 29 18.750 1.323 -5.975 1.00 0.00 O ATOM 460 CB GLU A 29 15.837 2.873 -6.127 1.00 0.00 C ATOM 461 CG GLU A 29 16.676 4.127 -6.240 1.00 0.00 C ATOM 462 CD GLU A 29 16.873 4.544 -7.676 1.00 0.00 C ATOM 463 OE1 GLU A 29 16.025 5.287 -8.203 1.00 0.00 O ATOM 464 OE2 GLU A 29 17.865 4.128 -8.292 1.00 0.00 O ATOM 0 H GLU A 29 14.595 0.794 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 29 16.960 1.921 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.878 3.042 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.628 2.680 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.196 4.936 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.647 3.957 -5.775 1.00 0.00 H new ATOM 471 N ARG A 30 17.098 0.343 -4.802 1.00 0.00 N ATOM 472 CA ARG A 30 17.969 -0.266 -3.804 1.00 0.00 C ATOM 473 C ARG A 30 18.896 -1.283 -4.472 1.00 0.00 C ATOM 474 O ARG A 30 20.088 -1.352 -4.170 1.00 0.00 O ATOM 475 CB ARG A 30 17.114 -0.951 -2.734 1.00 0.00 C ATOM 476 CG ARG A 30 17.901 -1.596 -1.607 1.00 0.00 C ATOM 477 CD ARG A 30 16.978 -2.356 -0.665 1.00 0.00 C ATOM 478 NE ARG A 30 16.043 -1.467 0.041 1.00 0.00 N ATOM 479 CZ ARG A 30 14.784 -1.790 0.381 1.00 0.00 C ATOM 480 NH1 ARG A 30 14.284 -2.982 0.062 1.00 0.00 N ATOM 481 NH2 ARG A 30 14.032 -0.918 1.050 1.00 0.00 N ATOM 0 H ARG A 30 16.108 0.136 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 30 18.580 0.505 -3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.432 -0.215 -2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.500 -1.714 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.645 -2.277 -2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.443 -0.830 -1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.413 -3.096 -1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.577 -2.902 0.064 1.00 0.00 H new ATOM 0 HE ARG A 30 16.375 -0.536 0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.858 -3.657 -0.444 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.327 -3.220 0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.412 -0.006 1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.076 -1.162 1.309 1.00 0.00 H new ATOM 495 N SER A 31 18.328 -2.055 -5.388 1.00 0.00 N ATOM 496 CA SER A 31 19.064 -3.062 -6.143 1.00 0.00 C ATOM 497 C SER A 31 20.215 -2.420 -6.909 1.00 0.00 C ATOM 498 O SER A 31 21.319 -2.955 -6.962 1.00 0.00 O ATOM 499 CB SER A 31 18.110 -3.773 -7.118 1.00 0.00 C ATOM 500 OG SER A 31 18.791 -4.713 -7.927 1.00 0.00 O ATOM 0 H SER A 31 17.339 -2.001 -5.630 1.00 0.00 H new ATOM 0 HA SER A 31 19.480 -3.792 -5.448 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.325 -4.279 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 31 17.621 -3.034 -7.753 1.00 0.00 H new ATOM 0 HG SER A 31 18.154 -5.146 -8.532 1.00 0.00 H new ATOM 506 N ASN A 32 19.944 -1.273 -7.484 1.00 0.00 N ATOM 507 CA ASN A 32 20.935 -0.536 -8.245 1.00 0.00 C ATOM 508 C ASN A 32 21.947 0.141 -7.316 1.00 0.00 C ATOM 509 O ASN A 32 23.131 0.261 -7.643 1.00 0.00 O ATOM 510 CB ASN A 32 20.225 0.496 -9.134 1.00 0.00 C ATOM 511 CG ASN A 32 20.760 1.906 -8.972 1.00 0.00 C ATOM 512 OD1 ASN A 32 21.630 2.340 -9.722 1.00 0.00 O ATOM 513 ND2 ASN A 32 20.248 2.619 -7.986 1.00 0.00 N ATOM 0 H ASN A 32 19.031 -0.821 -7.440 1.00 0.00 H new ATOM 0 HA ASN A 32 21.490 -1.229 -8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 32 20.326 0.196 -10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.160 0.491 -8.902 1.00 0.00 H new ATOM 0 HD21 ASN A 32 20.574 3.572 -7.823 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.526 2.217 -7.387 1.00 0.00 H new ATOM 862 N LEU A 56 -2.511 -9.161 -6.353 1.00 0.00 N ATOM 863 CA LEU A 56 -3.535 -9.193 -5.351 1.00 0.00 C ATOM 864 C LEU A 56 -4.605 -10.165 -5.804 1.00 0.00 C ATOM 865 O LEU A 56 -5.375 -9.869 -6.722 1.00 0.00 O ATOM 866 CB LEU A 56 -4.137 -7.805 -5.155 1.00 0.00 C ATOM 867 CG LEU A 56 -5.105 -7.663 -3.985 1.00 0.00 C ATOM 868 CD1 LEU A 56 -4.352 -7.728 -2.667 1.00 0.00 C ATOM 869 CD2 LEU A 56 -5.896 -6.369 -4.098 1.00 0.00 C ATOM 0 HA LEU A 56 -3.112 -9.511 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.324 -7.092 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.658 -7.523 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.812 -8.492 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.055 -7.625 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.838 -8.686 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.622 -6.920 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.581 -6.286 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.210 -5.522 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.465 -6.370 -5.028 1.00 0.00 H new ATOM 881 N SER A 57 -4.633 -11.321 -5.186 1.00 0.00 N ATOM 882 CA SER A 57 -5.559 -12.364 -5.567 1.00 0.00 C ATOM 883 C SER A 57 -7.004 -11.920 -5.357 1.00 0.00 C ATOM 884 O SER A 57 -7.287 -11.097 -4.475 1.00 0.00 O ATOM 885 CB SER A 57 -5.261 -13.637 -4.781 1.00 0.00 C ATOM 886 OG SER A 57 -3.922 -14.067 -5.002 1.00 0.00 O ATOM 0 H SER A 57 -4.019 -11.566 -4.409 1.00 0.00 H new ATOM 0 HA SER A 57 -5.430 -12.570 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.419 -13.458 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.954 -14.424 -5.079 1.00 0.00 H new ATOM 0 HG SER A 57 -3.751 -14.883 -4.488 1.00 0.00 H new ATOM 892 N PRO A 58 -7.938 -12.447 -6.181 1.00 0.00 N ATOM 893 CA PRO A 58 -9.359 -12.110 -6.097 1.00 0.00 C ATOM 894 C PRO A 58 -9.923 -12.298 -4.698 1.00 0.00 C ATOM 895 O PRO A 58 -10.881 -11.626 -4.314 1.00 0.00 O ATOM 896 CB PRO A 58 -10.035 -13.074 -7.089 1.00 0.00 C ATOM 897 CG PRO A 58 -8.993 -14.085 -7.431 1.00 0.00 C ATOM 898 CD PRO A 58 -7.676 -13.393 -7.270 1.00 0.00 C ATOM 0 HA PRO A 58 -9.532 -11.060 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.910 -13.547 -6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.377 -12.546 -7.979 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.061 -14.952 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.121 -14.447 -8.451 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.880 -14.093 -7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.372 -12.883 -8.184 1.00 0.00 H new ATOM 906 N ILE A 59 -9.324 -13.201 -3.932 1.00 0.00 N ATOM 907 CA ILE A 59 -9.753 -13.444 -2.569 1.00 0.00 C ATOM 908 C ILE A 59 -9.382 -12.275 -1.667 1.00 0.00 C ATOM 909 O ILE A 59 -10.224 -11.776 -0.925 1.00 0.00 O ATOM 910 CB ILE A 59 -9.161 -14.760 -2.004 1.00 0.00 C ATOM 911 CG1 ILE A 59 -9.478 -14.898 -0.512 1.00 0.00 C ATOM 912 CG2 ILE A 59 -7.661 -14.864 -2.266 1.00 0.00 C ATOM 913 CD1 ILE A 59 -8.863 -16.114 0.128 1.00 0.00 C ATOM 0 H ILE A 59 -8.538 -13.776 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 59 -10.838 -13.546 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.634 -15.590 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.126 -14.007 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -10.559 -14.938 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.284 -15.800 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.477 -14.839 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.150 -14.027 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.131 -16.144 1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.234 -17.012 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.778 -16.067 0.030 1.00 0.00 H new ATOM 925 N GLU A 60 -8.125 -11.834 -1.741 1.00 0.00 N ATOM 926 CA GLU A 60 -7.688 -10.674 -0.967 1.00 0.00 C ATOM 927 C GLU A 60 -8.513 -9.481 -1.356 1.00 0.00 C ATOM 928 O GLU A 60 -9.003 -8.751 -0.507 1.00 0.00 O ATOM 929 CB GLU A 60 -6.207 -10.359 -1.196 1.00 0.00 C ATOM 930 CG GLU A 60 -5.246 -11.138 -0.320 1.00 0.00 C ATOM 931 CD GLU A 60 -5.305 -12.615 -0.563 1.00 0.00 C ATOM 932 OE1 GLU A 60 -5.137 -13.030 -1.719 1.00 0.00 O ATOM 933 OE2 GLU A 60 -5.496 -13.372 0.409 1.00 0.00 O ATOM 0 H GLU A 60 -7.401 -12.257 -2.322 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.822 -10.906 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.966 -10.557 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.047 -9.294 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.230 -10.785 -0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.472 -10.937 0.727 1.00 0.00 H new ATOM 940 N ARG A 61 -8.667 -9.303 -2.654 1.00 0.00 N ATOM 941 CA ARG A 61 -9.466 -8.215 -3.208 1.00 0.00 C ATOM 942 C ARG A 61 -10.877 -8.214 -2.616 1.00 0.00 C ATOM 943 O ARG A 61 -11.344 -7.201 -2.099 1.00 0.00 O ATOM 944 CB ARG A 61 -9.517 -8.345 -4.741 1.00 0.00 C ATOM 945 CG ARG A 61 -10.459 -7.372 -5.438 1.00 0.00 C ATOM 946 CD ARG A 61 -10.165 -5.931 -5.060 1.00 0.00 C ATOM 947 NE ARG A 61 -10.922 -4.988 -5.887 1.00 0.00 N ATOM 948 CZ ARG A 61 -12.203 -4.660 -5.681 1.00 0.00 C ATOM 949 NH1 ARG A 61 -12.875 -5.196 -4.670 1.00 0.00 N ATOM 950 NH2 ARG A 61 -12.809 -3.797 -6.490 1.00 0.00 N ATOM 0 H ARG A 61 -8.243 -9.906 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.999 -7.266 -2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.512 -8.200 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.816 -9.362 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.369 -7.490 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.489 -7.613 -5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.411 -5.773 -4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.098 -5.736 -5.170 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.440 -4.552 -6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.415 -5.860 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.851 -4.944 -4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.298 -3.383 -7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.785 -3.548 -6.331 1.00 0.00 H new ATOM 964 N LEU A 62 -11.537 -9.341 -2.721 1.00 0.00 N ATOM 965 CA LEU A 62 -12.885 -9.514 -2.175 1.00 0.00 C ATOM 966 C LEU A 62 -12.913 -9.290 -0.666 1.00 0.00 C ATOM 967 O LEU A 62 -13.800 -8.617 -0.152 1.00 0.00 O ATOM 968 CB LEU A 62 -13.420 -10.906 -2.496 1.00 0.00 C ATOM 969 CG LEU A 62 -14.792 -11.234 -1.907 1.00 0.00 C ATOM 970 CD1 LEU A 62 -15.882 -10.399 -2.564 1.00 0.00 C ATOM 971 CD2 LEU A 62 -15.091 -12.717 -2.039 1.00 0.00 C ATOM 0 H LEU A 62 -11.166 -10.171 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.523 -8.765 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.473 -11.015 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.703 -11.644 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.774 -10.984 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.848 -10.652 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.677 -9.341 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.903 -10.605 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.072 -12.930 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.084 -12.997 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.332 -13.290 -1.506 1.00 0.00 H new ATOM 983 N GLN A 63 -11.936 -9.849 0.030 1.00 0.00 N ATOM 984 CA GLN A 63 -11.854 -9.708 1.477 1.00 0.00 C ATOM 985 C GLN A 63 -11.715 -8.242 1.854 1.00 0.00 C ATOM 986 O GLN A 63 -12.417 -7.742 2.727 1.00 0.00 O ATOM 987 CB GLN A 63 -10.674 -10.509 2.030 1.00 0.00 C ATOM 988 CG GLN A 63 -11.076 -11.600 3.010 1.00 0.00 C ATOM 989 CD GLN A 63 -12.061 -12.588 2.415 1.00 0.00 C ATOM 990 OE1 GLN A 63 -13.273 -12.405 2.508 1.00 0.00 O ATOM 991 NE2 GLN A 63 -11.551 -13.637 1.800 1.00 0.00 N ATOM 0 H GLN A 63 -11.188 -10.405 -0.383 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.772 -10.100 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.133 -10.962 1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.984 -9.826 2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.184 -12.135 3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.517 -11.143 3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.539 -13.753 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.168 -14.332 1.380 1.00 0.00 H new ATOM 1000 N LEU A 64 -10.817 -7.560 1.167 1.00 0.00 N ATOM 1001 CA LEU A 64 -10.581 -6.149 1.395 1.00 0.00 C ATOM 1002 C LEU A 64 -11.819 -5.348 1.047 1.00 0.00 C ATOM 1003 O LEU A 64 -12.116 -4.340 1.686 1.00 0.00 O ATOM 1004 CB LEU A 64 -9.374 -5.663 0.584 1.00 0.00 C ATOM 1005 CG LEU A 64 -8.028 -6.305 0.954 1.00 0.00 C ATOM 1006 CD1 LEU A 64 -6.939 -5.869 -0.012 1.00 0.00 C ATOM 1007 CD2 LEU A 64 -7.641 -5.956 2.385 1.00 0.00 C ATOM 0 H LEU A 64 -10.233 -7.969 0.437 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.359 -6.001 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.568 -5.851 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.288 -4.583 0.705 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.138 -7.387 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.995 -6.336 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.207 -6.173 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.833 -4.785 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.685 -6.420 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.554 -4.874 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.406 -6.323 3.069 1.00 0.00 H new ATOM 1019 N GLU A 65 -12.545 -5.805 0.034 1.00 0.00 N ATOM 1020 CA GLU A 65 -13.765 -5.158 -0.367 1.00 0.00 C ATOM 1021 C GLU A 65 -14.812 -5.298 0.707 1.00 0.00 C ATOM 1022 O GLU A 65 -15.479 -4.333 1.068 1.00 0.00 O ATOM 1023 CB GLU A 65 -14.275 -5.728 -1.689 1.00 0.00 C ATOM 1024 CG GLU A 65 -15.614 -5.163 -2.131 1.00 0.00 C ATOM 1025 CD GLU A 65 -15.993 -5.607 -3.516 1.00 0.00 C ATOM 1026 OE1 GLU A 65 -15.513 -4.994 -4.488 1.00 0.00 O ATOM 1027 OE2 GLU A 65 -16.760 -6.583 -3.647 1.00 0.00 O ATOM 0 H GLU A 65 -12.299 -6.625 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 65 -13.556 -4.098 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.536 -5.533 -2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -14.362 -6.811 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.387 -5.474 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.574 -4.074 -2.099 1.00 0.00 H new ATOM 1034 N ASP A 66 -14.926 -6.496 1.236 1.00 0.00 N ATOM 1035 CA ASP A 66 -15.891 -6.784 2.285 1.00 0.00 C ATOM 1036 C ASP A 66 -15.608 -5.921 3.495 1.00 0.00 C ATOM 1037 O ASP A 66 -16.514 -5.332 4.086 1.00 0.00 O ATOM 1038 CB ASP A 66 -15.849 -8.271 2.668 1.00 0.00 C ATOM 1039 CG ASP A 66 -16.826 -8.627 3.779 1.00 0.00 C ATOM 1040 OD1 ASP A 66 -18.003 -8.922 3.479 1.00 0.00 O ATOM 1041 OD2 ASP A 66 -16.420 -8.629 4.960 1.00 0.00 O ATOM 0 H ASP A 66 -14.359 -7.296 0.957 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.890 -6.557 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.073 -8.874 1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.838 -8.531 2.983 1.00 0.00 H new ATOM 1046 N VAL A 67 -14.341 -5.825 3.832 1.00 0.00 N ATOM 1047 CA VAL A 67 -13.906 -5.023 4.966 1.00 0.00 C ATOM 1048 C VAL A 67 -14.152 -3.530 4.723 1.00 0.00 C ATOM 1049 O VAL A 67 -14.486 -2.796 5.645 1.00 0.00 O ATOM 1050 CB VAL A 67 -12.402 -5.254 5.280 1.00 0.00 C ATOM 1051 CG1 VAL A 67 -11.934 -4.363 6.425 1.00 0.00 C ATOM 1052 CG2 VAL A 67 -12.147 -6.715 5.609 1.00 0.00 C ATOM 0 H VAL A 67 -13.584 -6.295 3.335 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.499 -5.343 5.823 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.829 -4.989 4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.878 -4.548 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.075 -3.317 6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.514 -4.587 7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.089 -6.860 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.739 -7.001 6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.431 -7.334 4.758 1.00 0.00 H new ATOM 1062 N CYS A 68 -14.018 -3.099 3.480 1.00 0.00 N ATOM 1063 CA CYS A 68 -14.163 -1.695 3.142 1.00 0.00 C ATOM 1064 C CYS A 68 -15.631 -1.295 3.031 1.00 0.00 C ATOM 1065 O CYS A 68 -16.019 -0.206 3.437 1.00 0.00 O ATOM 1066 CB CYS A 68 -13.434 -1.386 1.840 1.00 0.00 C ATOM 1067 SG CYS A 68 -13.367 0.366 1.435 1.00 0.00 S ATOM 0 H CYS A 68 -13.808 -3.704 2.686 1.00 0.00 H new ATOM 0 HA CYS A 68 -13.717 -1.112 3.948 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -12.417 -1.772 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -13.926 -1.918 1.025 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.297 0.891 1.954 1.00 0.00 H new ATOM 1073 N VAL A 69 -16.436 -2.168 2.467 1.00 0.00 N ATOM 1074 CA VAL A 69 -17.857 -1.905 2.337 1.00 0.00 C ATOM 1075 C VAL A 69 -18.539 -1.909 3.710 1.00 0.00 C ATOM 1076 O VAL A 69 -19.490 -1.158 3.950 1.00 0.00 O ATOM 1077 CB VAL A 69 -18.535 -2.938 1.399 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -20.038 -2.755 1.379 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -17.974 -2.819 -0.011 1.00 0.00 C ATOM 0 H VAL A 69 -16.134 -3.066 2.090 1.00 0.00 H new ATOM 0 HA VAL A 69 -17.970 -0.916 1.894 1.00 0.00 H new ATOM 0 HB VAL A 69 -18.320 -3.934 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -20.486 -3.493 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -20.434 -2.887 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -20.278 -1.753 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -18.459 -3.550 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -18.160 -1.815 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -16.900 -3.006 0.008 1.00 0.00 H new ATOM 1089 N LYS A 70 -18.031 -2.734 4.612 1.00 0.00 N ATOM 1090 CA LYS A 70 -18.594 -2.847 5.952 1.00 0.00 C ATOM 1091 C LYS A 70 -17.810 -2.021 6.968 1.00 0.00 C ATOM 1092 O LYS A 70 -18.023 -2.140 8.175 1.00 0.00 O ATOM 1093 CB LYS A 70 -18.652 -4.319 6.369 1.00 0.00 C ATOM 1094 CG LYS A 70 -19.702 -5.120 5.606 1.00 0.00 C ATOM 1095 CD LYS A 70 -19.293 -6.577 5.421 1.00 0.00 C ATOM 1096 CE LYS A 70 -19.048 -7.285 6.743 1.00 0.00 C ATOM 1097 NZ LYS A 70 -18.604 -8.689 6.532 1.00 0.00 N ATOM 0 H LYS A 70 -17.227 -3.338 4.441 1.00 0.00 H new ATOM 0 HA LYS A 70 -19.607 -2.444 5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.674 -4.773 6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -18.864 -4.379 7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -20.650 -5.076 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.866 -4.664 4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.073 -7.103 4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.388 -6.623 4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.292 -6.744 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.962 -7.276 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.705 -9.222 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.189 -9.131 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.607 -8.697 6.235 1.00 0.00 H new ATOM 1111 N ILE A 71 -16.909 -1.184 6.481 1.00 0.00 N ATOM 1112 CA ILE A 71 -16.157 -0.310 7.345 1.00 0.00 C ATOM 1113 C ILE A 71 -16.934 0.999 7.513 1.00 0.00 C ATOM 1114 O ILE A 71 -18.027 1.155 6.961 1.00 0.00 O ATOM 1115 CB ILE A 71 -14.720 -0.039 6.772 1.00 0.00 C ATOM 1116 CG1 ILE A 71 -13.719 0.229 7.903 1.00 0.00 C ATOM 1117 CG2 ILE A 71 -14.720 1.124 5.777 1.00 0.00 C ATOM 1118 CD1 ILE A 71 -12.280 0.290 7.436 1.00 0.00 C ATOM 0 H ILE A 71 -16.685 -1.096 5.490 1.00 0.00 H new ATOM 0 HA ILE A 71 -16.027 -0.788 8.316 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.411 -0.938 6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.975 1.171 8.388 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.815 -0.554 8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.709 1.282 5.402 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.384 0.890 4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -15.068 2.029 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.629 0.482 8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.006 -0.660 6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.168 1.091 6.706 1.00 0.00 H new ATOM 1130 N HIS A 72 -16.393 1.925 8.260 1.00 0.00 N ATOM 1131 CA HIS A 72 -17.045 3.199 8.454 1.00 0.00 C ATOM 1132 C HIS A 72 -16.349 4.244 7.595 1.00 0.00 C ATOM 1133 O HIS A 72 -15.116 4.322 7.597 1.00 0.00 O ATOM 1134 CB HIS A 72 -17.068 3.610 9.930 1.00 0.00 C ATOM 1135 CG HIS A 72 -18.041 2.819 10.764 1.00 0.00 C ATOM 1136 ND1 HIS A 72 -18.227 3.033 12.114 1.00 0.00 N ATOM 1137 CD2 HIS A 72 -18.883 1.807 10.433 1.00 0.00 C ATOM 1138 CE1 HIS A 72 -19.138 2.186 12.571 1.00 0.00 C ATOM 1139 NE2 HIS A 72 -19.547 1.440 11.573 1.00 0.00 N ATOM 0 H HIS A 72 -15.502 1.824 8.746 1.00 0.00 H new ATOM 0 HA HIS A 72 -18.087 3.114 8.146 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -16.067 3.493 10.346 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -17.320 4.668 9.999 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -19.006 1.372 9.452 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -19.485 2.121 13.592 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -20.249 0.703 11.636 1.00 0.00 H new ATOM 1147 N PRO A 73 -17.121 5.053 6.853 1.00 0.00 N ATOM 1148 CA PRO A 73 -16.589 6.045 5.902 1.00 0.00 C ATOM 1149 C PRO A 73 -15.439 6.900 6.455 1.00 0.00 C ATOM 1150 O PRO A 73 -14.365 6.966 5.852 1.00 0.00 O ATOM 1151 CB PRO A 73 -17.807 6.932 5.572 1.00 0.00 C ATOM 1152 CG PRO A 73 -18.891 6.495 6.509 1.00 0.00 C ATOM 1153 CD PRO A 73 -18.583 5.076 6.875 1.00 0.00 C ATOM 0 HA PRO A 73 -16.150 5.545 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.572 7.987 5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.113 6.807 4.533 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.917 7.128 7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.869 6.571 6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.978 4.815 7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.011 4.371 6.162 1.00 0.00 H new ATOM 1161 N SER A 74 -15.651 7.524 7.603 1.00 0.00 N ATOM 1162 CA SER A 74 -14.669 8.435 8.182 1.00 0.00 C ATOM 1163 C SER A 74 -13.436 7.716 8.761 1.00 0.00 C ATOM 1164 O SER A 74 -12.477 8.365 9.160 1.00 0.00 O ATOM 1165 CB SER A 74 -15.343 9.271 9.265 1.00 0.00 C ATOM 1166 OG SER A 74 -16.571 9.808 8.789 1.00 0.00 O ATOM 0 H SER A 74 -16.500 7.417 8.158 1.00 0.00 H new ATOM 0 HA SER A 74 -14.301 9.070 7.376 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.526 8.656 10.146 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.681 10.080 9.573 1.00 0.00 H new ATOM 0 HG SER A 74 -16.991 10.340 9.496 1.00 0.00 H new ATOM 1172 N TYR A 75 -13.467 6.391 8.822 1.00 0.00 N ATOM 1173 CA TYR A 75 -12.344 5.638 9.390 1.00 0.00 C ATOM 1174 C TYR A 75 -11.360 5.192 8.326 1.00 0.00 C ATOM 1175 O TYR A 75 -10.186 4.968 8.616 1.00 0.00 O ATOM 1176 CB TYR A 75 -12.839 4.429 10.178 1.00 0.00 C ATOM 1177 CG TYR A 75 -13.476 4.783 11.499 1.00 0.00 C ATOM 1178 CD1 TYR A 75 -14.735 5.352 11.550 1.00 0.00 C ATOM 1179 CD2 TYR A 75 -12.815 4.540 12.694 1.00 0.00 C ATOM 1180 CE1 TYR A 75 -15.324 5.673 12.756 1.00 0.00 C ATOM 1181 CE2 TYR A 75 -13.394 4.857 13.905 1.00 0.00 C ATOM 1182 CZ TYR A 75 -14.648 5.422 13.931 1.00 0.00 C ATOM 1183 OH TYR A 75 -15.232 5.740 15.137 1.00 0.00 O ATOM 0 H TYR A 75 -14.243 5.817 8.492 1.00 0.00 H new ATOM 0 HA TYR A 75 -11.823 6.315 10.066 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.561 3.883 9.572 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -12.001 3.756 10.358 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -15.266 5.549 10.631 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -11.831 4.095 12.676 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -16.308 6.118 12.779 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -12.866 4.663 14.827 1.00 0.00 H new ATOM 0 HH TYR A 75 -15.684 4.950 15.500 1.00 0.00 H new ATOM 1193 N CYS A 76 -11.833 5.066 7.102 1.00 0.00 N ATOM 1194 CA CYS A 76 -10.979 4.631 6.003 1.00 0.00 C ATOM 1195 C CYS A 76 -9.919 5.683 5.693 1.00 0.00 C ATOM 1196 O CYS A 76 -8.739 5.367 5.573 1.00 0.00 O ATOM 1197 CB CYS A 76 -11.816 4.311 4.757 1.00 0.00 C ATOM 1198 SG CYS A 76 -10.857 3.766 3.325 1.00 0.00 S ATOM 0 H CYS A 76 -12.800 5.257 6.839 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.468 3.718 6.309 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.539 3.535 5.010 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.385 5.198 4.480 1.00 0.00 H new ATOM 0 HG CYS A 76 -11.455 2.759 2.760 1.00 0.00 H new ATOM 1204 N GLY A 77 -10.360 6.925 5.561 1.00 0.00 N ATOM 1205 CA GLY A 77 -9.460 8.053 5.296 1.00 0.00 C ATOM 1206 C GLY A 77 -8.205 8.050 6.159 1.00 0.00 C ATOM 1207 O GLY A 77 -7.096 7.917 5.633 1.00 0.00 O ATOM 0 H GLY A 77 -11.344 7.185 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.168 8.035 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.001 8.985 5.460 1.00 0.00 H new ATOM 1211 N PRO A 78 -8.343 8.214 7.494 1.00 0.00 N ATOM 1212 CA PRO A 78 -7.207 8.173 8.411 1.00 0.00 C ATOM 1213 C PRO A 78 -6.393 6.897 8.241 1.00 0.00 C ATOM 1214 O PRO A 78 -5.174 6.949 8.165 1.00 0.00 O ATOM 1215 CB PRO A 78 -7.845 8.224 9.811 1.00 0.00 C ATOM 1216 CG PRO A 78 -9.306 8.015 9.594 1.00 0.00 C ATOM 1217 CD PRO A 78 -9.596 8.479 8.197 1.00 0.00 C ATOM 0 HA PRO A 78 -6.512 8.993 8.231 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.431 7.452 10.459 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.654 9.182 10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.571 6.965 9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.891 8.579 10.320 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.429 7.933 7.755 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.858 9.537 8.170 1.00 0.00 H new ATOM 1225 N ALA A 79 -7.082 5.745 8.220 1.00 0.00 N ATOM 1226 CA ALA A 79 -6.429 4.452 7.994 1.00 0.00 C ATOM 1227 C ALA A 79 -5.476 4.505 6.808 1.00 0.00 C ATOM 1228 O ALA A 79 -4.342 4.029 6.895 1.00 0.00 O ATOM 1229 CB ALA A 79 -7.465 3.354 7.797 1.00 0.00 C ATOM 0 H ALA A 79 -8.091 5.686 8.357 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.840 4.222 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.960 2.403 7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.092 3.282 8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.086 3.591 6.933 1.00 0.00 H new ATOM 1235 N ILE A 80 -5.928 5.101 5.714 1.00 0.00 N ATOM 1236 CA ILE A 80 -5.099 5.226 4.527 1.00 0.00 C ATOM 1237 C ILE A 80 -3.891 6.131 4.786 1.00 0.00 C ATOM 1238 O ILE A 80 -2.750 5.769 4.491 1.00 0.00 O ATOM 1239 CB ILE A 80 -5.922 5.715 3.284 1.00 0.00 C ATOM 1240 CG1 ILE A 80 -6.488 4.518 2.502 1.00 0.00 C ATOM 1241 CG2 ILE A 80 -5.091 6.602 2.361 1.00 0.00 C ATOM 1242 CD1 ILE A 80 -7.385 3.610 3.311 1.00 0.00 C ATOM 0 H ILE A 80 -6.861 5.504 5.625 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.725 4.230 4.291 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.749 6.315 3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.048 4.892 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.658 3.931 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.700 6.918 1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.750 7.480 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.228 6.043 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.739 2.794 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.826 3.203 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.238 4.178 3.682 1.00 0.00 H new ATOM 1254 N LEU A 81 -4.156 7.290 5.347 1.00 0.00 N ATOM 1255 CA LEU A 81 -3.111 8.257 5.676 1.00 0.00 C ATOM 1256 C LEU A 81 -2.077 7.650 6.620 1.00 0.00 C ATOM 1257 O LEU A 81 -0.871 7.847 6.449 1.00 0.00 O ATOM 1258 CB LEU A 81 -3.725 9.513 6.301 1.00 0.00 C ATOM 1259 CG LEU A 81 -4.703 10.286 5.412 1.00 0.00 C ATOM 1260 CD1 LEU A 81 -5.313 11.448 6.176 1.00 0.00 C ATOM 1261 CD2 LEU A 81 -4.004 10.784 4.154 1.00 0.00 C ATOM 0 H LEU A 81 -5.098 7.596 5.591 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.605 8.533 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.243 9.225 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.917 10.185 6.591 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.505 9.610 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.005 11.986 5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.850 11.070 7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.523 12.124 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.715 11.331 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.182 11.444 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.614 9.934 3.594 1.00 0.00 H new ATOM 1273 N ARG A 82 -2.556 6.903 7.605 1.00 0.00 N ATOM 1274 CA ARG A 82 -1.684 6.253 8.556 1.00 0.00 C ATOM 1275 C ARG A 82 -0.862 5.187 7.865 1.00 0.00 C ATOM 1276 O ARG A 82 0.320 5.043 8.138 1.00 0.00 O ATOM 1277 CB ARG A 82 -2.486 5.640 9.713 1.00 0.00 C ATOM 1278 CG ARG A 82 -1.612 4.963 10.765 1.00 0.00 C ATOM 1279 CD ARG A 82 -2.431 4.434 11.934 1.00 0.00 C ATOM 1280 NE ARG A 82 -3.121 5.505 12.657 1.00 0.00 N ATOM 1281 CZ ARG A 82 -3.401 5.480 13.966 1.00 0.00 C ATOM 1282 NH1 ARG A 82 -3.001 4.462 14.723 1.00 0.00 N ATOM 1283 NH2 ARG A 82 -4.060 6.488 14.520 1.00 0.00 N ATOM 0 H ARG A 82 -3.550 6.735 7.761 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.014 7.005 8.972 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.076 6.422 10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.189 4.910 9.311 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.063 4.141 10.306 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.872 5.674 11.133 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.164 3.716 11.566 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -1.776 3.898 12.621 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.408 6.327 12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.477 3.692 14.307 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -3.219 4.451 15.719 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.353 7.281 13.949 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.274 6.471 15.517 1.00 0.00 H new ATOM 1297 N PHE A 83 -1.493 4.452 6.950 1.00 0.00 N ATOM 1298 CA PHE A 83 -0.802 3.404 6.212 1.00 0.00 C ATOM 1299 C PHE A 83 0.409 3.968 5.495 1.00 0.00 C ATOM 1300 O PHE A 83 1.520 3.449 5.620 1.00 0.00 O ATOM 1301 CB PHE A 83 -1.725 2.733 5.186 1.00 0.00 C ATOM 1302 CG PHE A 83 -1.035 1.624 4.459 1.00 0.00 C ATOM 1303 CD1 PHE A 83 -0.814 0.415 5.082 1.00 0.00 C ATOM 1304 CD2 PHE A 83 -0.577 1.802 3.162 1.00 0.00 C ATOM 1305 CE1 PHE A 83 -0.151 -0.596 4.435 1.00 0.00 C ATOM 1306 CE2 PHE A 83 0.083 0.788 2.508 1.00 0.00 C ATOM 1307 CZ PHE A 83 0.298 -0.413 3.149 1.00 0.00 C ATOM 0 H PHE A 83 -2.477 4.565 6.705 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.485 2.655 6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.607 2.342 5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.072 3.477 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.167 0.262 6.091 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.740 2.745 2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.019 -1.537 4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.431 0.932 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.819 -1.211 2.641 1.00 0.00 H new ATOM 1317 N ARG A 84 0.187 5.039 4.762 1.00 0.00 N ATOM 1318 CA ARG A 84 1.236 5.674 3.997 1.00 0.00 C ATOM 1319 C ARG A 84 2.302 6.227 4.918 1.00 0.00 C ATOM 1320 O ARG A 84 3.495 6.083 4.660 1.00 0.00 O ATOM 1321 CB ARG A 84 0.664 6.792 3.148 1.00 0.00 C ATOM 1322 CG ARG A 84 1.611 7.302 2.079 1.00 0.00 C ATOM 1323 CD ARG A 84 0.989 8.445 1.307 1.00 0.00 C ATOM 1324 NE ARG A 84 -0.327 8.093 0.773 1.00 0.00 N ATOM 1325 CZ ARG A 84 -1.154 8.958 0.187 1.00 0.00 C ATOM 1326 NH1 ARG A 84 -0.801 10.235 0.057 1.00 0.00 N ATOM 1327 NH2 ARG A 84 -2.331 8.547 -0.260 1.00 0.00 N ATOM 0 H ARG A 84 -0.723 5.492 4.681 1.00 0.00 H new ATOM 0 HA ARG A 84 1.686 4.925 3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.251 6.440 2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.386 7.622 3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.542 7.633 2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.865 6.492 1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.895 9.314 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.648 8.730 0.487 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.631 7.123 0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.103 10.552 0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.435 10.896 -0.392 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.603 7.570 -0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.965 9.208 -0.709 1.00 0.00 H new ATOM 1341 N GLN A 85 1.864 6.848 6.003 1.00 0.00 N ATOM 1342 CA GLN A 85 2.778 7.420 6.966 1.00 0.00 C ATOM 1343 C GLN A 85 3.621 6.327 7.624 1.00 0.00 C ATOM 1344 O GLN A 85 4.791 6.538 7.936 1.00 0.00 O ATOM 1345 CB GLN A 85 2.016 8.226 8.023 1.00 0.00 C ATOM 1346 CG GLN A 85 2.918 9.041 8.937 1.00 0.00 C ATOM 1347 CD GLN A 85 3.794 10.011 8.168 1.00 0.00 C ATOM 1348 OE1 GLN A 85 4.902 9.672 7.756 1.00 0.00 O ATOM 1349 NE2 GLN A 85 3.311 11.217 7.974 1.00 0.00 N ATOM 0 H GLN A 85 0.878 6.966 6.234 1.00 0.00 H new ATOM 0 HA GLN A 85 3.449 8.098 6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.319 8.898 7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.421 7.543 8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.305 9.594 9.649 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.549 8.367 9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.387 11.460 8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.860 11.911 7.466 1.00 0.00 H new ATOM 1358 N LEU A 86 3.032 5.150 7.804 1.00 0.00 N ATOM 1359 CA LEU A 86 3.761 4.032 8.404 1.00 0.00 C ATOM 1360 C LEU A 86 4.730 3.458 7.405 1.00 0.00 C ATOM 1361 O LEU A 86 5.882 3.204 7.716 1.00 0.00 O ATOM 1362 CB LEU A 86 2.808 2.940 8.881 1.00 0.00 C ATOM 1363 CG LEU A 86 1.877 3.330 10.014 1.00 0.00 C ATOM 1364 CD1 LEU A 86 0.871 2.221 10.285 1.00 0.00 C ATOM 1365 CD2 LEU A 86 2.663 3.654 11.271 1.00 0.00 C ATOM 0 H LEU A 86 2.066 4.944 7.548 1.00 0.00 H new ATOM 0 HA LEU A 86 4.306 4.410 9.269 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.204 2.615 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.399 2.081 9.200 1.00 0.00 H new ATOM 0 HG LEU A 86 1.332 4.225 9.713 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.212 2.519 11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.279 2.040 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.400 1.309 10.561 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.975 3.931 12.069 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.239 2.780 11.575 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.341 4.484 11.072 1.00 0.00 H new ATOM 1377 N LEU A 87 4.255 3.288 6.195 1.00 0.00 N ATOM 1378 CA LEU A 87 5.049 2.744 5.121 1.00 0.00 C ATOM 1379 C LEU A 87 6.266 3.612 4.865 1.00 0.00 C ATOM 1380 O LEU A 87 7.359 3.126 4.631 1.00 0.00 O ATOM 1381 CB LEU A 87 4.186 2.636 3.867 1.00 0.00 C ATOM 1382 CG LEU A 87 4.853 2.032 2.651 1.00 0.00 C ATOM 1383 CD1 LEU A 87 3.839 1.263 1.845 1.00 0.00 C ATOM 1384 CD2 LEU A 87 5.501 3.108 1.789 1.00 0.00 C ATOM 0 H LEU A 87 3.300 3.525 5.926 1.00 0.00 H new ATOM 0 HA LEU A 87 5.403 1.751 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.305 2.040 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.834 3.634 3.605 1.00 0.00 H new ATOM 0 HG LEU A 87 5.637 1.355 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.323 0.829 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.416 0.467 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.044 1.936 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.973 2.645 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.740 3.813 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.254 3.637 2.373 1.00 0.00 H new ATOM 1396 N ALA A 88 6.053 4.889 4.932 1.00 0.00 N ATOM 1397 CA ALA A 88 7.100 5.869 4.712 1.00 0.00 C ATOM 1398 C ALA A 88 8.034 5.939 5.901 1.00 0.00 C ATOM 1399 O ALA A 88 9.199 6.325 5.779 1.00 0.00 O ATOM 1400 CB ALA A 88 6.498 7.234 4.426 1.00 0.00 C ATOM 0 H ALA A 88 5.142 5.297 5.142 1.00 0.00 H new ATOM 0 HA ALA A 88 7.681 5.557 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.297 7.957 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.873 7.177 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.891 7.549 5.275 1.00 0.00 H new ATOM 1406 N GLU A 89 7.516 5.572 7.044 1.00 0.00 N ATOM 1407 CA GLU A 89 8.284 5.561 8.268 1.00 0.00 C ATOM 1408 C GLU A 89 9.159 4.313 8.328 1.00 0.00 C ATOM 1409 O GLU A 89 10.298 4.359 8.781 1.00 0.00 O ATOM 1410 CB GLU A 89 7.337 5.617 9.469 1.00 0.00 C ATOM 1411 CG GLU A 89 8.024 5.799 10.804 1.00 0.00 C ATOM 1412 CD GLU A 89 8.741 7.126 10.917 1.00 0.00 C ATOM 1413 OE1 GLU A 89 8.063 8.163 11.021 1.00 0.00 O ATOM 1414 OE2 GLU A 89 9.988 7.133 10.917 1.00 0.00 O ATOM 0 H GLU A 89 6.548 5.271 7.156 1.00 0.00 H new ATOM 0 HA GLU A 89 8.935 6.435 8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.633 6.437 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.753 4.697 9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.285 5.721 11.602 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.740 4.990 10.953 1.00 0.00 H new ATOM 1421 N GLN A 90 8.622 3.214 7.841 1.00 0.00 N ATOM 1422 CA GLN A 90 9.362 1.942 7.831 1.00 0.00 C ATOM 1423 C GLN A 90 10.188 1.779 6.558 1.00 0.00 C ATOM 1424 O GLN A 90 11.064 0.914 6.494 1.00 0.00 O ATOM 1425 CB GLN A 90 8.426 0.731 7.986 1.00 0.00 C ATOM 1426 CG GLN A 90 7.989 0.433 9.416 1.00 0.00 C ATOM 1427 CD GLN A 90 6.901 1.349 9.914 1.00 0.00 C ATOM 1428 OE1 GLN A 90 5.711 1.064 9.751 1.00 0.00 O ATOM 1429 NE2 GLN A 90 7.285 2.440 10.532 1.00 0.00 N ATOM 0 H GLN A 90 7.683 3.162 7.446 1.00 0.00 H new ATOM 0 HA GLN A 90 10.035 1.977 8.688 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.537 0.898 7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.927 -0.150 7.584 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.640 -0.598 9.474 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.853 0.515 10.076 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.279 2.639 10.646 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.590 3.090 10.899 1.00 0.00 H new ATOM 1438 N GLU A 91 9.906 2.630 5.564 1.00 0.00 N ATOM 1439 CA GLU A 91 10.538 2.576 4.231 1.00 0.00 C ATOM 1440 C GLU A 91 9.881 1.478 3.389 1.00 0.00 C ATOM 1441 O GLU A 91 9.690 0.358 3.861 1.00 0.00 O ATOM 1442 CB GLU A 91 12.075 2.383 4.301 1.00 0.00 C ATOM 1443 CG GLU A 91 12.762 2.414 2.937 1.00 0.00 C ATOM 1444 CD GLU A 91 14.260 2.212 3.020 1.00 0.00 C ATOM 1445 OE1 GLU A 91 14.983 3.200 3.275 1.00 0.00 O ATOM 1446 OE2 GLU A 91 14.725 1.071 2.819 1.00 0.00 O ATOM 0 H GLU A 91 9.226 3.385 5.659 1.00 0.00 H new ATOM 0 HA GLU A 91 10.377 3.542 3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.502 3.164 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.291 1.430 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.332 1.639 2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.557 3.370 2.455 1.00 0.00 H new ATOM 1453 N PRO A 92 9.492 1.815 2.137 1.00 0.00 N ATOM 1454 CA PRO A 92 8.816 0.887 1.221 1.00 0.00 C ATOM 1455 C PRO A 92 9.417 -0.530 1.199 1.00 0.00 C ATOM 1456 O PRO A 92 10.641 -0.712 1.193 1.00 0.00 O ATOM 1457 CB PRO A 92 8.976 1.558 -0.135 1.00 0.00 C ATOM 1458 CG PRO A 92 9.022 3.016 0.170 1.00 0.00 C ATOM 1459 CD PRO A 92 9.667 3.150 1.526 1.00 0.00 C ATOM 0 HA PRO A 92 7.783 0.722 1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.887 1.229 -0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.144 1.318 -0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.595 3.553 -0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.019 3.443 0.174 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.721 3.416 1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.188 3.928 2.121 1.00 0.00 H new ATOM 1467 N GLU A 93 8.517 -1.507 1.115 1.00 0.00 N ATOM 1468 CA GLU A 93 8.831 -2.927 1.135 1.00 0.00 C ATOM 1469 C GLU A 93 7.597 -3.685 0.715 1.00 0.00 C ATOM 1470 O GLU A 93 6.713 -3.900 1.511 1.00 0.00 O ATOM 1471 CB GLU A 93 9.283 -3.390 2.531 1.00 0.00 C ATOM 1472 CG GLU A 93 10.783 -3.301 2.761 1.00 0.00 C ATOM 1473 CD GLU A 93 11.563 -4.182 1.810 1.00 0.00 C ATOM 1474 OE1 GLU A 93 11.785 -3.769 0.655 1.00 0.00 O ATOM 1475 OE2 GLU A 93 11.962 -5.297 2.210 1.00 0.00 O ATOM 0 H GLU A 93 7.518 -1.322 1.028 1.00 0.00 H new ATOM 0 HA GLU A 93 9.656 -3.120 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.775 -2.787 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.964 -4.422 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.106 -2.267 2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.009 -3.589 3.788 1.00 0.00 H new ATOM 1482 N VAL A 94 7.541 -4.054 -0.556 1.00 0.00 N ATOM 1483 CA VAL A 94 6.366 -4.702 -1.164 1.00 0.00 C ATOM 1484 C VAL A 94 5.782 -5.819 -0.310 1.00 0.00 C ATOM 1485 O VAL A 94 4.564 -5.930 -0.173 1.00 0.00 O ATOM 1486 CB VAL A 94 6.687 -5.230 -2.586 1.00 0.00 C ATOM 1487 CG1 VAL A 94 7.667 -6.400 -2.559 1.00 0.00 C ATOM 1488 CG2 VAL A 94 5.414 -5.587 -3.338 1.00 0.00 C ATOM 0 H VAL A 94 8.312 -3.915 -1.209 1.00 0.00 H new ATOM 0 HA VAL A 94 5.605 -3.925 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 94 7.179 -4.421 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.861 -6.736 -3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.602 -6.081 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.239 -7.220 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.669 -5.954 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.874 -6.361 -2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.785 -4.702 -3.429 1.00 0.00 H new ATOM 1498 N GLN A 95 6.640 -6.613 0.282 1.00 0.00 N ATOM 1499 CA GLN A 95 6.184 -7.720 1.096 1.00 0.00 C ATOM 1500 C GLN A 95 5.500 -7.200 2.366 1.00 0.00 C ATOM 1501 O GLN A 95 4.527 -7.784 2.853 1.00 0.00 O ATOM 1502 CB GLN A 95 7.342 -8.695 1.450 1.00 0.00 C ATOM 1503 CG GLN A 95 8.091 -8.374 2.751 1.00 0.00 C ATOM 1504 CD GLN A 95 9.072 -7.216 2.641 1.00 0.00 C ATOM 1505 OE1 GLN A 95 9.231 -6.444 3.580 1.00 0.00 O ATOM 1506 NE2 GLN A 95 9.776 -7.121 1.527 1.00 0.00 N ATOM 0 H GLN A 95 7.653 -6.517 0.218 1.00 0.00 H new ATOM 0 HA GLN A 95 5.457 -8.284 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.937 -9.704 1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.058 -8.697 0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.362 -8.145 3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.632 -9.264 3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.617 -7.781 0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.478 -6.388 1.428 1.00 0.00 H new ATOM 1515 N GLU A 96 5.979 -6.067 2.867 1.00 0.00 N ATOM 1516 CA GLU A 96 5.448 -5.516 4.079 1.00 0.00 C ATOM 1517 C GLU A 96 4.280 -4.615 3.762 1.00 0.00 C ATOM 1518 O GLU A 96 3.398 -4.445 4.572 1.00 0.00 O ATOM 1519 CB GLU A 96 6.526 -4.768 4.861 1.00 0.00 C ATOM 1520 CG GLU A 96 6.104 -4.388 6.270 1.00 0.00 C ATOM 1521 CD GLU A 96 7.248 -3.859 7.097 1.00 0.00 C ATOM 1522 OE1 GLU A 96 7.213 -2.679 7.485 1.00 0.00 O ATOM 1523 OE2 GLU A 96 8.189 -4.634 7.375 1.00 0.00 O ATOM 0 H GLU A 96 6.732 -5.524 2.444 1.00 0.00 H new ATOM 0 HA GLU A 96 5.097 -6.332 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.421 -5.388 4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.797 -3.864 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.319 -3.634 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.676 -5.260 6.765 1.00 0.00 H new ATOM 1530 N VAL A 97 4.289 -4.044 2.568 1.00 0.00 N ATOM 1531 CA VAL A 97 3.190 -3.210 2.115 1.00 0.00 C ATOM 1532 C VAL A 97 1.901 -3.994 2.194 1.00 0.00 C ATOM 1533 O VAL A 97 0.941 -3.568 2.819 1.00 0.00 O ATOM 1534 CB VAL A 97 3.391 -2.714 0.660 1.00 0.00 C ATOM 1535 CG1 VAL A 97 2.179 -1.922 0.180 1.00 0.00 C ATOM 1536 CG2 VAL A 97 4.641 -1.869 0.555 1.00 0.00 C ATOM 0 H VAL A 97 5.048 -4.144 1.894 1.00 0.00 H new ATOM 0 HA VAL A 97 3.152 -2.335 2.764 1.00 0.00 H new ATOM 0 HB VAL A 97 3.504 -3.589 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.346 -1.586 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.293 -2.556 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.030 -1.057 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.766 -1.530 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.553 -1.005 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.507 -2.462 0.849 1.00 0.00 H new ATOM 1546 N SER A 98 1.908 -5.159 1.586 1.00 0.00 N ATOM 1547 CA SER A 98 0.751 -6.017 1.570 1.00 0.00 C ATOM 1548 C SER A 98 0.418 -6.532 2.972 1.00 0.00 C ATOM 1549 O SER A 98 -0.748 -6.606 3.362 1.00 0.00 O ATOM 1550 CB SER A 98 0.973 -7.179 0.605 1.00 0.00 C ATOM 1551 OG SER A 98 1.340 -6.704 -0.683 1.00 0.00 O ATOM 0 H SER A 98 2.716 -5.535 1.090 1.00 0.00 H new ATOM 0 HA SER A 98 -0.102 -5.431 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.754 -7.834 0.992 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.064 -7.775 0.532 1.00 0.00 H new ATOM 0 HG SER A 98 2.287 -6.450 -0.681 1.00 0.00 H new ATOM 1557 N GLN A 99 1.449 -6.864 3.722 1.00 0.00 N ATOM 1558 CA GLN A 99 1.291 -7.382 5.079 1.00 0.00 C ATOM 1559 C GLN A 99 0.715 -6.320 6.010 1.00 0.00 C ATOM 1560 O GLN A 99 -0.177 -6.592 6.805 1.00 0.00 O ATOM 1561 CB GLN A 99 2.634 -7.870 5.614 1.00 0.00 C ATOM 1562 CG GLN A 99 2.577 -8.410 7.032 1.00 0.00 C ATOM 1563 CD GLN A 99 3.946 -8.758 7.582 1.00 0.00 C ATOM 1564 OE1 GLN A 99 4.084 -9.661 8.404 1.00 0.00 O ATOM 1565 NE2 GLN A 99 4.963 -8.043 7.140 1.00 0.00 N ATOM 0 H GLN A 99 2.419 -6.785 3.416 1.00 0.00 H new ATOM 0 HA GLN A 99 0.593 -8.218 5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.014 -8.650 4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.348 -7.047 5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.108 -7.670 7.680 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.945 -9.298 7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.807 -7.302 6.457 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.906 -8.232 7.481 1.00 0.00 H new ATOM 1574 N LEU A 100 1.217 -5.113 5.882 1.00 0.00 N ATOM 1575 CA LEU A 100 0.785 -4.008 6.709 1.00 0.00 C ATOM 1576 C LEU A 100 -0.584 -3.578 6.272 1.00 0.00 C ATOM 1577 O LEU A 100 -1.399 -3.125 7.075 1.00 0.00 O ATOM 1578 CB LEU A 100 1.775 -2.838 6.610 1.00 0.00 C ATOM 1579 CG LEU A 100 1.427 -1.588 7.423 1.00 0.00 C ATOM 1580 CD1 LEU A 100 1.399 -1.901 8.908 1.00 0.00 C ATOM 1581 CD2 LEU A 100 2.413 -0.468 7.128 1.00 0.00 C ATOM 0 H LEU A 100 1.937 -4.869 5.202 1.00 0.00 H new ATOM 0 HA LEU A 100 0.751 -4.327 7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.756 -3.191 6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.863 -2.552 5.562 1.00 0.00 H new ATOM 0 HG LEU A 100 0.432 -1.256 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.150 -0.998 9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.649 -2.667 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.378 -2.263 9.222 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.150 0.412 7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.420 -0.791 7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.376 -0.221 6.067 1.00 0.00 H new ATOM 1593 N PHE A 101 -0.847 -3.763 4.994 1.00 0.00 N ATOM 1594 CA PHE A 101 -2.128 -3.404 4.442 1.00 0.00 C ATOM 1595 C PHE A 101 -3.207 -4.334 4.982 1.00 0.00 C ATOM 1596 O PHE A 101 -4.298 -3.901 5.345 1.00 0.00 O ATOM 1597 CB PHE A 101 -2.100 -3.452 2.925 1.00 0.00 C ATOM 1598 CG PHE A 101 -3.215 -2.685 2.289 1.00 0.00 C ATOM 1599 CD1 PHE A 101 -3.089 -1.325 2.065 1.00 0.00 C ATOM 1600 CD2 PHE A 101 -4.384 -3.315 1.913 1.00 0.00 C ATOM 1601 CE1 PHE A 101 -4.109 -0.608 1.474 1.00 0.00 C ATOM 1602 CE2 PHE A 101 -5.409 -2.602 1.322 1.00 0.00 C ATOM 1603 CZ PHE A 101 -5.267 -1.249 1.104 1.00 0.00 C ATOM 0 H PHE A 101 -0.189 -4.159 4.323 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.357 -2.381 4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.148 -3.055 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.151 -4.491 2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.181 -0.819 2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.498 -4.375 2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.998 0.453 1.303 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.320 -3.104 1.031 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.068 -0.691 0.641 1.00 0.00 H new ATOM 1613 N ARG A 102 -2.874 -5.611 5.073 1.00 0.00 N ATOM 1614 CA ARG A 102 -3.796 -6.609 5.582 1.00 0.00 C ATOM 1615 C ARG A 102 -3.865 -6.497 7.094 1.00 0.00 C ATOM 1616 O ARG A 102 -4.909 -6.740 7.697 1.00 0.00 O ATOM 1617 CB ARG A 102 -3.327 -8.006 5.157 1.00 0.00 C ATOM 1618 CG ARG A 102 -4.285 -9.132 5.504 1.00 0.00 C ATOM 1619 CD ARG A 102 -3.821 -10.446 4.890 1.00 0.00 C ATOM 1620 NE ARG A 102 -4.716 -11.560 5.211 1.00 0.00 N ATOM 1621 CZ ARG A 102 -5.177 -12.446 4.317 1.00 0.00 C ATOM 1622 NH1 ARG A 102 -4.854 -12.330 3.027 1.00 0.00 N ATOM 1623 NH2 ARG A 102 -5.958 -13.442 4.712 1.00 0.00 N ATOM 0 H ARG A 102 -1.964 -5.981 4.798 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.792 -6.443 5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.163 -8.007 4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.364 -8.209 5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.354 -9.236 6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.284 -8.889 5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.757 -10.335 3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.817 -10.676 5.247 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.009 -11.669 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.254 -11.565 2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.207 -13.006 2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.208 -13.534 5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.309 -14.116 4.031 1.00 0.00 H new ATOM 1637 N SER A 103 -2.743 -6.107 7.696 1.00 0.00 N ATOM 1638 CA SER A 103 -2.673 -5.922 9.133 1.00 0.00 C ATOM 1639 C SER A 103 -3.643 -4.840 9.589 1.00 0.00 C ATOM 1640 O SER A 103 -4.573 -5.117 10.336 1.00 0.00 O ATOM 1641 CB SER A 103 -1.238 -5.561 9.563 1.00 0.00 C ATOM 1642 OG SER A 103 -1.122 -5.435 10.981 1.00 0.00 O ATOM 0 H SER A 103 -1.871 -5.914 7.204 1.00 0.00 H new ATOM 0 HA SER A 103 -2.956 -6.862 9.607 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.549 -6.328 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.942 -4.625 9.090 1.00 0.00 H new ATOM 0 HG SER A 103 -1.585 -4.623 11.276 1.00 0.00 H new ATOM 1648 N VAL A 104 -3.446 -3.620 9.101 1.00 0.00 N ATOM 1649 CA VAL A 104 -4.286 -2.481 9.483 1.00 0.00 C ATOM 1650 C VAL A 104 -5.748 -2.740 9.200 1.00 0.00 C ATOM 1651 O VAL A 104 -6.606 -2.475 10.039 1.00 0.00 O ATOM 1652 CB VAL A 104 -3.843 -1.176 8.764 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -4.745 -0.008 9.149 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -2.392 -0.853 9.089 1.00 0.00 C ATOM 0 H VAL A 104 -2.708 -3.390 8.436 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.157 -2.353 10.558 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.932 -1.336 7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.414 0.893 8.633 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.773 -0.233 8.864 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.694 0.152 10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.100 0.064 8.577 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.281 -0.719 10.165 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.754 -1.673 8.758 1.00 0.00 H new ATOM 1664 N LEU A 105 -6.021 -3.276 8.036 1.00 0.00 N ATOM 1665 CA LEU A 105 -7.388 -3.571 7.627 1.00 0.00 C ATOM 1666 C LEU A 105 -8.035 -4.581 8.549 1.00 0.00 C ATOM 1667 O LEU A 105 -9.222 -4.503 8.824 1.00 0.00 O ATOM 1668 CB LEU A 105 -7.426 -4.076 6.189 1.00 0.00 C ATOM 1669 CG LEU A 105 -7.665 -3.009 5.103 1.00 0.00 C ATOM 1670 CD1 LEU A 105 -9.087 -2.475 5.183 1.00 0.00 C ATOM 1671 CD2 LEU A 105 -6.669 -1.864 5.235 1.00 0.00 C ATOM 0 H LEU A 105 -5.313 -3.522 7.344 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.955 -2.642 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.482 -4.577 5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.211 -4.828 6.110 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.520 -3.481 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.237 -1.723 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.792 -3.293 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.252 -2.026 6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.859 -1.125 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.779 -1.397 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.655 -2.250 5.129 1.00 0.00 H new ATOM 1683 N GLN A 106 -7.252 -5.521 9.032 1.00 0.00 N ATOM 1684 CA GLN A 106 -7.770 -6.535 9.921 1.00 0.00 C ATOM 1685 C GLN A 106 -7.925 -5.975 11.318 1.00 0.00 C ATOM 1686 O GLN A 106 -8.884 -6.290 12.034 1.00 0.00 O ATOM 1687 CB GLN A 106 -6.854 -7.755 9.927 1.00 0.00 C ATOM 1688 CG GLN A 106 -7.576 -9.048 10.232 1.00 0.00 C ATOM 1689 CD GLN A 106 -8.755 -9.280 9.302 1.00 0.00 C ATOM 1690 OE1 GLN A 106 -9.737 -9.922 9.678 1.00 0.00 O ATOM 1691 NE2 GLN A 106 -8.676 -8.743 8.083 1.00 0.00 N ATOM 0 H GLN A 106 -6.257 -5.603 8.824 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.751 -6.847 9.564 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.368 -7.840 8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -6.066 -7.605 10.665 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.878 -9.881 10.146 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.927 -9.032 11.264 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.845 -8.218 7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.446 -8.857 7.424 1.00 0.00 H new ATOM 1700 N GLU A 107 -6.993 -5.133 11.682 1.00 0.00 N ATOM 1701 CA GLU A 107 -6.993 -4.509 12.998 1.00 0.00 C ATOM 1702 C GLU A 107 -8.180 -3.570 13.139 1.00 0.00 C ATOM 1703 O GLU A 107 -8.914 -3.603 14.141 1.00 0.00 O ATOM 1704 CB GLU A 107 -5.676 -3.768 13.247 1.00 0.00 C ATOM 1705 CG GLU A 107 -4.471 -4.691 13.370 1.00 0.00 C ATOM 1706 CD GLU A 107 -3.168 -3.939 13.520 1.00 0.00 C ATOM 1707 OE1 GLU A 107 -2.500 -3.686 12.495 1.00 0.00 O ATOM 1708 OE2 GLU A 107 -2.800 -3.598 14.665 1.00 0.00 O ATOM 0 H GLU A 107 -6.213 -4.856 11.086 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.085 -5.291 13.751 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.504 -3.066 12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.767 -3.179 14.160 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.608 -5.346 14.230 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -4.417 -5.329 12.488 1.00 0.00 H new ATOM 1715 N VAL A 108 -8.390 -2.759 12.119 1.00 0.00 N ATOM 1716 CA VAL A 108 -9.491 -1.831 12.115 1.00 0.00 C ATOM 1717 C VAL A 108 -10.818 -2.579 11.947 1.00 0.00 C ATOM 1718 O VAL A 108 -11.851 -2.125 12.414 1.00 0.00 O ATOM 1719 CB VAL A 108 -9.331 -0.752 11.006 1.00 0.00 C ATOM 1720 CG1 VAL A 108 -9.547 -1.334 9.617 1.00 0.00 C ATOM 1721 CG2 VAL A 108 -10.264 0.413 11.252 1.00 0.00 C ATOM 0 H VAL A 108 -7.807 -2.729 11.283 1.00 0.00 H new ATOM 0 HA VAL A 108 -9.493 -1.317 13.076 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.305 -0.387 11.051 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.427 -0.549 8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.817 -2.122 9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.553 -1.748 9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.135 1.155 10.464 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.295 0.060 11.252 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.035 0.865 12.217 1.00 0.00 H new ATOM 1731 N LEU A 109 -10.762 -3.754 11.311 1.00 0.00 N ATOM 1732 CA LEU A 109 -11.951 -4.567 11.090 1.00 0.00 C ATOM 1733 C LEU A 109 -12.507 -5.089 12.408 1.00 0.00 C ATOM 1734 O LEU A 109 -13.712 -5.037 12.647 1.00 0.00 O ATOM 1735 CB LEU A 109 -11.635 -5.739 10.155 1.00 0.00 C ATOM 1736 CG LEU A 109 -12.762 -6.753 9.939 1.00 0.00 C ATOM 1737 CD1 LEU A 109 -13.987 -6.094 9.321 1.00 0.00 C ATOM 1738 CD2 LEU A 109 -12.277 -7.900 9.076 1.00 0.00 C ATOM 0 H LEU A 109 -9.902 -4.159 10.942 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.706 -3.935 10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.347 -5.335 9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.768 -6.269 10.550 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.055 -7.147 10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -14.769 -6.840 9.180 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -14.350 -5.308 9.983 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -13.720 -5.662 8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.088 -8.614 8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.953 -7.516 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.440 -8.397 9.568 1.00 0.00 H new ATOM 1750 N GLU A 110 -11.625 -5.587 13.262 1.00 0.00 N ATOM 1751 CA GLU A 110 -12.041 -6.114 14.553 1.00 0.00 C ATOM 1752 C GLU A 110 -12.638 -5.000 15.414 1.00 0.00 C ATOM 1753 O GLU A 110 -13.642 -5.197 16.098 1.00 0.00 O ATOM 1754 CB GLU A 110 -10.863 -6.774 15.271 1.00 0.00 C ATOM 1755 CG GLU A 110 -11.261 -7.503 16.540 1.00 0.00 C ATOM 1756 CD GLU A 110 -10.097 -8.184 17.215 1.00 0.00 C ATOM 1757 OE1 GLU A 110 -9.659 -9.242 16.722 1.00 0.00 O ATOM 1758 OE2 GLU A 110 -9.618 -7.669 18.247 1.00 0.00 O ATOM 0 H GLU A 110 -10.622 -5.637 13.086 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.807 -6.872 14.386 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.382 -7.478 14.592 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.123 -6.012 15.516 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.713 -6.794 17.234 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.022 -8.246 16.303 1.00 0.00 H new ATOM 1765 N ARG A 111 -12.029 -3.823 15.346 1.00 0.00 N ATOM 1766 CA ARG A 111 -12.509 -2.669 16.101 1.00 0.00 C ATOM 1767 C ARG A 111 -13.818 -2.161 15.517 1.00 0.00 C ATOM 1768 O ARG A 111 -14.674 -1.632 16.228 1.00 0.00 O ATOM 1769 CB ARG A 111 -11.470 -1.556 16.068 1.00 0.00 C ATOM 1770 CG ARG A 111 -10.155 -1.928 16.719 1.00 0.00 C ATOM 1771 CD ARG A 111 -9.124 -0.833 16.542 1.00 0.00 C ATOM 1772 NE ARG A 111 -9.570 0.441 17.105 1.00 0.00 N ATOM 1773 CZ ARG A 111 -8.748 1.368 17.590 1.00 0.00 C ATOM 1774 NH1 ARG A 111 -7.435 1.157 17.599 1.00 0.00 N ATOM 1775 NH2 ARG A 111 -9.238 2.501 18.071 1.00 0.00 N ATOM 0 H ARG A 111 -11.202 -3.641 14.777 1.00 0.00 H new ATOM 0 HA ARG A 111 -12.677 -2.976 17.133 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.285 -1.275 15.031 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.877 -0.677 16.568 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.313 -2.114 17.781 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.782 -2.856 16.285 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.192 -1.133 17.020 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -8.911 -0.705 15.481 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.572 0.630 17.127 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.056 0.283 17.234 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.807 1.869 17.971 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -10.245 2.662 18.069 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -8.608 3.212 18.443 1.00 0.00 H new ATOM 1789 N MET A 112 -13.966 -2.360 14.224 1.00 0.00 N ATOM 1790 CA MET A 112 -15.132 -1.906 13.495 1.00 0.00 C ATOM 1791 C MET A 112 -16.321 -2.771 13.832 1.00 0.00 C ATOM 1792 O MET A 112 -17.411 -2.278 14.111 1.00 0.00 O ATOM 1793 CB MET A 112 -14.857 -1.961 11.997 1.00 0.00 C ATOM 1794 CG MET A 112 -15.801 -1.129 11.166 1.00 0.00 C ATOM 1795 SD MET A 112 -15.743 0.622 11.600 1.00 0.00 S ATOM 1796 CE MET A 112 -13.985 0.953 11.479 1.00 0.00 C ATOM 0 H MET A 112 -13.278 -2.843 13.646 1.00 0.00 H new ATOM 0 HA MET A 112 -15.352 -0.877 13.780 1.00 0.00 H new ATOM 0 HB2 MET A 112 -13.836 -1.625 11.813 1.00 0.00 H new ATOM 0 HB3 MET A 112 -14.916 -2.998 11.666 1.00 0.00 H new ATOM 0 HG2 MET A 112 -15.552 -1.247 10.111 1.00 0.00 H new ATOM 0 HG3 MET A 112 -16.818 -1.499 11.297 1.00 0.00 H new ATOM 0 HE1 MET A 112 -13.830 1.992 11.189 1.00 0.00 H new ATOM 0 HE2 MET A 112 -13.513 0.771 12.445 1.00 0.00 H new ATOM 0 HE3 MET A 112 -13.542 0.297 10.729 1.00 0.00 H new ATOM 1806 N LYS A 113 -16.085 -4.064 13.818 1.00 0.00 N ATOM 1807 CA LYS A 113 -17.107 -5.049 14.124 1.00 0.00 C ATOM 1808 C LYS A 113 -17.653 -4.829 15.528 1.00 0.00 C ATOM 1809 O LYS A 113 -18.857 -4.935 15.759 1.00 0.00 O ATOM 1810 CB LYS A 113 -16.524 -6.458 13.991 1.00 0.00 C ATOM 1811 CG LYS A 113 -17.538 -7.579 14.177 1.00 0.00 C ATOM 1812 CD LYS A 113 -16.883 -8.947 14.046 1.00 0.00 C ATOM 1813 CE LYS A 113 -16.296 -9.161 12.659 1.00 0.00 C ATOM 1814 NZ LYS A 113 -15.620 -10.477 12.541 1.00 0.00 N ATOM 0 H LYS A 113 -15.175 -4.467 13.593 1.00 0.00 H new ATOM 0 HA LYS A 113 -17.929 -4.938 13.417 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -16.067 -6.557 13.006 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -15.728 -6.579 14.725 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -18.005 -7.490 15.158 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -18.331 -7.481 13.436 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -16.096 -9.046 14.793 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -17.619 -9.724 14.253 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -17.089 -9.092 11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -15.583 -8.366 12.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.234 -10.584 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.846 -10.533 13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -16.306 -11.237 12.725 1.00 0.00 H new ATOM 1828 N GLN A 114 -16.758 -4.505 16.455 1.00 0.00 N ATOM 1829 CA GLN A 114 -17.138 -4.243 17.834 1.00 0.00 C ATOM 1830 C GLN A 114 -18.102 -3.053 17.906 1.00 0.00 C ATOM 1831 O GLN A 114 -19.178 -3.151 18.502 1.00 0.00 O ATOM 1832 CB GLN A 114 -15.894 -3.978 18.684 1.00 0.00 C ATOM 1833 CG GLN A 114 -16.177 -3.857 20.173 1.00 0.00 C ATOM 1834 CD GLN A 114 -14.921 -3.606 20.980 1.00 0.00 C ATOM 1835 OE1 GLN A 114 -14.251 -4.539 21.422 1.00 0.00 O ATOM 1836 NE2 GLN A 114 -14.597 -2.352 21.184 1.00 0.00 N ATOM 0 H GLN A 114 -15.758 -4.418 16.272 1.00 0.00 H new ATOM 0 HA GLN A 114 -17.647 -5.122 18.229 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -15.179 -4.785 18.525 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.420 -3.059 18.339 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.882 -3.043 20.341 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.655 -4.771 20.525 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -15.178 -1.606 20.801 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -13.764 -2.122 21.726 1.00 0.00 H new ATOM 1845 N GLU A 115 -17.706 -1.929 17.300 1.00 0.00 N ATOM 1846 CA GLU A 115 -18.554 -0.736 17.258 1.00 0.00 C ATOM 1847 C GLU A 115 -19.896 -1.028 16.582 1.00 0.00 C ATOM 1848 O GLU A 115 -20.937 -0.492 16.992 1.00 0.00 O ATOM 1849 CB GLU A 115 -17.837 0.425 16.561 1.00 0.00 C ATOM 1850 CG GLU A 115 -16.646 0.957 17.344 1.00 0.00 C ATOM 1851 CD GLU A 115 -16.018 2.184 16.711 1.00 0.00 C ATOM 1852 OE1 GLU A 115 -16.759 3.149 16.414 1.00 0.00 O ATOM 1853 OE2 GLU A 115 -14.778 2.206 16.539 1.00 0.00 O ATOM 0 H GLU A 115 -16.805 -1.822 16.833 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.756 -0.442 18.288 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.499 0.096 15.578 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.547 1.236 16.399 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -16.965 1.201 18.357 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -15.894 0.173 17.427 1.00 0.00 H new ATOM 1860 N GLU A 116 -19.868 -1.877 15.553 1.00 0.00 N ATOM 1861 CA GLU A 116 -21.087 -2.288 14.866 1.00 0.00 C ATOM 1862 C GLU A 116 -22.019 -3.000 15.831 1.00 0.00 C ATOM 1863 O GLU A 116 -23.118 -2.521 16.109 1.00 0.00 O ATOM 1864 CB GLU A 116 -20.762 -3.211 13.687 1.00 0.00 C ATOM 1865 CG GLU A 116 -20.322 -2.488 12.429 1.00 0.00 C ATOM 1866 CD GLU A 116 -21.435 -1.658 11.830 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -22.428 -2.247 11.347 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -21.326 -0.418 11.836 1.00 0.00 O ATOM 0 H GLU A 116 -19.014 -2.291 15.180 1.00 0.00 H new ATOM 0 HA GLU A 116 -21.579 -1.394 14.484 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.975 -3.902 13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -21.642 -3.811 13.458 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -19.474 -1.843 12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -19.978 -3.216 11.695 1.00 0.00 H new ATOM 1875 N GLU A 117 -21.560 -4.140 16.344 1.00 0.00 N ATOM 1876 CA GLU A 117 -22.333 -4.935 17.296 1.00 0.00 C ATOM 1877 C GLU A 117 -22.853 -4.089 18.447 1.00 0.00 C ATOM 1878 O GLU A 117 -24.017 -4.170 18.795 1.00 0.00 O ATOM 1879 CB GLU A 117 -21.507 -6.090 17.853 1.00 0.00 C ATOM 1880 CG GLU A 117 -21.092 -7.115 16.818 1.00 0.00 C ATOM 1881 CD GLU A 117 -20.586 -8.383 17.457 1.00 0.00 C ATOM 1882 OE1 GLU A 117 -19.373 -8.486 17.716 1.00 0.00 O ATOM 1883 OE2 GLU A 117 -21.413 -9.289 17.718 1.00 0.00 O ATOM 0 H GLU A 117 -20.649 -4.536 16.114 1.00 0.00 H new ATOM 0 HA GLU A 117 -23.184 -5.336 16.746 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -20.612 -5.686 18.327 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -22.082 -6.590 18.632 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -21.941 -7.346 16.175 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -20.314 -6.694 16.181 1.00 0.00 H new ATOM 1890 N ALA A 118 -21.985 -3.264 19.010 1.00 0.00 N ATOM 1891 CA ALA A 118 -22.336 -2.425 20.152 1.00 0.00 C ATOM 1892 C ALA A 118 -23.565 -1.547 19.879 1.00 0.00 C ATOM 1893 O ALA A 118 -24.540 -1.564 20.645 1.00 0.00 O ATOM 1894 CB ALA A 118 -21.149 -1.561 20.551 1.00 0.00 C ATOM 0 H ALA A 118 -21.022 -3.155 18.693 1.00 0.00 H new ATOM 0 HA ALA A 118 -22.595 -3.091 20.975 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -21.422 -0.939 21.404 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -20.309 -2.200 20.822 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -20.865 -0.924 19.713 1.00 0.00 H new ATOM 1900 N HIS A 119 -23.534 -0.815 18.775 1.00 0.00 N ATOM 1901 CA HIS A 119 -24.611 0.123 18.448 1.00 0.00 C ATOM 1902 C HIS A 119 -25.803 -0.572 17.813 1.00 0.00 C ATOM 1903 O HIS A 119 -26.934 -0.127 17.960 1.00 0.00 O ATOM 1904 CB HIS A 119 -24.107 1.237 17.528 1.00 0.00 C ATOM 1905 CG HIS A 119 -23.266 2.264 18.221 1.00 0.00 C ATOM 1906 ND1 HIS A 119 -23.681 3.567 18.414 1.00 0.00 N ATOM 1907 CD2 HIS A 119 -22.025 2.186 18.757 1.00 0.00 C ATOM 1908 CE1 HIS A 119 -22.730 4.242 19.035 1.00 0.00 C ATOM 1909 NE2 HIS A 119 -21.718 3.427 19.253 1.00 0.00 N ATOM 0 H HIS A 119 -22.780 -0.848 18.089 1.00 0.00 H new ATOM 0 HA HIS A 119 -24.942 0.560 19.390 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -23.527 0.792 16.720 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -24.964 1.732 17.070 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -21.394 1.310 18.788 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -22.775 5.284 19.316 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -20.845 3.679 19.717 1.00 0.00 H new