USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 504 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 6 GLN : amide:sc= 0.0628 X(o=-0.8,f=-1.2) USER MOD Set 1.2: A 48 THR OG1 : rot 160:sc= -0.862 USER MOD Single : A 4 MET CE :methyl 137:sc= -1.67 (180deg=-4.37!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 14 MET CE :methyl -132:sc= -1.21 (180deg=-3.95!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 19 CYS SG : rot 130:sc= 0.803 USER MOD Single : A 21 ASN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 25 SER OG : rot 11:sc= 0.324 USER MOD Single : A 26 SER OG : rot -66:sc= -2.23! USER MOD Single : A 28 LYS NZ :NH3+ -112:sc= 0.508 (180deg=-0.215) USER MOD Single : A 31 ASN : amide:sc=-0.00216 K(o=-0.0022,f=-0.83) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -170:sc=-0.00774 (180deg=-0.113) USER MOD Single : A 39 GLN : amide:sc= -0.667 K(o=-0.67,f=-8.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -17:sc= 0.703 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 2:sc= 1.14 USER MOD Single : A 57 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0688) USER MOD Single : A 66 GLN : amide:sc= -0.0276 K(o=-0.028,f=-0.6) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 3 16.381 -3.479 0.151 1.00 0.00 N ATOM 29 CA ALA A 3 15.940 -3.586 1.536 1.00 0.00 C ATOM 30 C ALA A 3 14.443 -3.854 1.598 1.00 0.00 C ATOM 31 O ALA A 3 13.631 -2.972 1.316 1.00 0.00 O ATOM 32 CB ALA A 3 16.286 -2.320 2.305 1.00 0.00 C ATOM 0 HA ALA A 3 16.461 -4.424 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 3 15.949 -2.418 3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 3 17.365 -2.168 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 3 15.792 -1.466 1.841 1.00 0.00 H new ATOM 38 N MET A 4 14.085 -5.076 1.963 1.00 0.00 N ATOM 39 CA MET A 4 12.693 -5.500 1.946 1.00 0.00 C ATOM 40 C MET A 4 11.986 -5.135 3.241 1.00 0.00 C ATOM 41 O MET A 4 12.195 -5.766 4.279 1.00 0.00 O ATOM 42 CB MET A 4 12.590 -7.009 1.719 1.00 0.00 C ATOM 43 CG MET A 4 13.199 -7.503 0.412 1.00 0.00 C ATOM 44 SD MET A 4 12.272 -7.005 -1.060 1.00 0.00 S ATOM 45 CE MET A 4 12.785 -5.303 -1.285 1.00 0.00 C ATOM 0 H MET A 4 14.740 -5.793 2.275 1.00 0.00 H new ATOM 0 HA MET A 4 12.205 -4.977 1.124 1.00 0.00 H new ATOM 0 HB2 MET A 4 13.079 -7.521 2.548 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.538 -7.295 1.744 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.219 -7.127 0.332 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.262 -8.591 0.440 1.00 0.00 H new ATOM 0 HE1 MET A 4 12.977 -5.117 -2.342 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.996 -4.636 -0.937 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.695 -5.119 -0.713 1.00 0.00 H new ATOM 55 N GLU A 5 11.160 -4.110 3.172 1.00 0.00 N ATOM 56 CA GLU A 5 10.370 -3.688 4.313 1.00 0.00 C ATOM 57 C GLU A 5 8.940 -4.186 4.167 1.00 0.00 C ATOM 58 O GLU A 5 8.185 -3.694 3.326 1.00 0.00 O ATOM 59 CB GLU A 5 10.373 -2.164 4.423 1.00 0.00 C ATOM 60 CG GLU A 5 11.757 -1.559 4.584 1.00 0.00 C ATOM 61 CD GLU A 5 12.337 -1.775 5.963 1.00 0.00 C ATOM 62 OE1 GLU A 5 13.010 -2.801 6.183 1.00 0.00 O ATOM 63 OE2 GLU A 5 12.121 -0.913 6.837 1.00 0.00 O ATOM 0 H GLU A 5 11.018 -3.550 2.331 1.00 0.00 H new ATOM 0 HA GLU A 5 10.809 -4.111 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.906 -1.745 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.758 -1.870 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.426 -1.994 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.706 -0.489 4.380 1.00 0.00 H new ATOM 70 N GLN A 6 8.577 -5.181 4.959 1.00 0.00 N ATOM 71 CA GLN A 6 7.215 -5.684 4.961 1.00 0.00 C ATOM 72 C GLN A 6 6.407 -4.999 6.049 1.00 0.00 C ATOM 73 O GLN A 6 6.666 -5.178 7.242 1.00 0.00 O ATOM 74 CB GLN A 6 7.187 -7.202 5.148 1.00 0.00 C ATOM 75 CG GLN A 6 7.733 -7.967 3.954 1.00 0.00 C ATOM 76 CD GLN A 6 7.556 -9.465 4.081 1.00 0.00 C ATOM 77 OE1 GLN A 6 7.597 -10.020 5.179 1.00 0.00 O ATOM 78 NE2 GLN A 6 7.331 -10.129 2.955 1.00 0.00 N ATOM 0 H GLN A 6 9.206 -5.655 5.607 1.00 0.00 H new ATOM 0 HA GLN A 6 6.767 -5.459 3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.767 -7.462 6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.161 -7.519 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.232 -7.623 3.049 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.793 -7.740 3.838 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.305 -9.631 2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.184 -11.138 2.979 1.00 0.00 H new ATOM 87 N LEU A 7 5.443 -4.197 5.631 1.00 0.00 N ATOM 88 CA LEU A 7 4.615 -3.445 6.560 1.00 0.00 C ATOM 89 C LEU A 7 3.142 -3.757 6.334 1.00 0.00 C ATOM 90 O LEU A 7 2.697 -3.905 5.193 1.00 0.00 O ATOM 91 CB LEU A 7 4.853 -1.942 6.391 1.00 0.00 C ATOM 92 CG LEU A 7 6.277 -1.462 6.681 1.00 0.00 C ATOM 93 CD1 LEU A 7 6.417 0.014 6.345 1.00 0.00 C ATOM 94 CD2 LEU A 7 6.642 -1.714 8.136 1.00 0.00 C ATOM 0 H LEU A 7 5.213 -4.049 4.648 1.00 0.00 H new ATOM 0 HA LEU A 7 4.889 -3.738 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.596 -1.664 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.167 -1.407 7.049 1.00 0.00 H new ATOM 0 HG LEU A 7 6.965 -2.027 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.435 0.340 6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.199 0.169 5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.718 0.592 6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.658 -1.366 8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.950 -1.176 8.783 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.580 -2.782 8.347 1.00 0.00 H new ATOM 106 N THR A 8 2.400 -3.873 7.419 1.00 0.00 N ATOM 107 CA THR A 8 0.966 -4.067 7.346 1.00 0.00 C ATOM 108 C THR A 8 0.252 -2.744 7.586 1.00 0.00 C ATOM 109 O THR A 8 0.191 -2.254 8.713 1.00 0.00 O ATOM 110 CB THR A 8 0.490 -5.105 8.380 1.00 0.00 C ATOM 111 OG1 THR A 8 1.227 -6.329 8.220 1.00 0.00 O ATOM 112 CG2 THR A 8 -1.000 -5.379 8.230 1.00 0.00 C ATOM 0 H THR A 8 2.771 -3.836 8.368 1.00 0.00 H new ATOM 0 HA THR A 8 0.726 -4.440 6.350 1.00 0.00 H new ATOM 0 HB THR A 8 0.668 -4.701 9.376 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.921 -6.984 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.311 -6.115 8.971 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.557 -4.454 8.381 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.200 -5.764 7.230 1.00 0.00 H new ATOM 120 N LEU A 9 -0.256 -2.153 6.521 1.00 0.00 N ATOM 121 CA LEU A 9 -0.973 -0.895 6.622 1.00 0.00 C ATOM 122 C LEU A 9 -2.452 -1.177 6.813 1.00 0.00 C ATOM 123 O LEU A 9 -2.897 -2.310 6.636 1.00 0.00 O ATOM 124 CB LEU A 9 -0.784 -0.027 5.365 1.00 0.00 C ATOM 125 CG LEU A 9 0.648 0.434 5.041 1.00 0.00 C ATOM 126 CD1 LEU A 9 1.538 -0.732 4.625 1.00 0.00 C ATOM 127 CD2 LEU A 9 0.614 1.480 3.940 1.00 0.00 C ATOM 0 H LEU A 9 -0.185 -2.525 5.574 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.572 -0.347 7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.162 -0.585 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.410 0.860 5.469 1.00 0.00 H new ATOM 0 HG LEU A 9 1.073 0.866 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.540 -0.364 4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.588 -1.459 5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.123 -1.208 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.630 1.803 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.162 1.052 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.026 2.336 4.270 1.00 0.00 H new ATOM 139 N GLN A 10 -3.209 -0.157 7.163 1.00 0.00 N ATOM 140 CA GLN A 10 -4.648 -0.294 7.290 1.00 0.00 C ATOM 141 C GLN A 10 -5.346 0.614 6.290 1.00 0.00 C ATOM 142 O GLN A 10 -4.858 1.703 5.988 1.00 0.00 O ATOM 143 CB GLN A 10 -5.104 0.025 8.712 1.00 0.00 C ATOM 144 CG GLN A 10 -4.628 1.370 9.230 1.00 0.00 C ATOM 145 CD GLN A 10 -5.154 1.674 10.619 1.00 0.00 C ATOM 146 OE1 GLN A 10 -5.401 0.770 11.415 1.00 0.00 O ATOM 147 NE2 GLN A 10 -5.318 2.949 10.925 1.00 0.00 N ATOM 0 H GLN A 10 -2.853 0.777 7.365 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.917 -1.329 7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.193 -0.001 8.747 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.745 -0.757 9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.538 1.385 9.246 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.948 2.154 8.544 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.102 3.670 10.237 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.661 3.212 11.849 1.00 0.00 H new ATOM 156 N VAL A 11 -6.478 0.163 5.776 1.00 0.00 N ATOM 157 CA VAL A 11 -7.188 0.903 4.748 1.00 0.00 C ATOM 158 C VAL A 11 -8.431 1.563 5.324 1.00 0.00 C ATOM 159 O VAL A 11 -9.396 0.887 5.677 1.00 0.00 O ATOM 160 CB VAL A 11 -7.606 -0.008 3.578 1.00 0.00 C ATOM 161 CG1 VAL A 11 -8.072 0.821 2.392 1.00 0.00 C ATOM 162 CG2 VAL A 11 -6.467 -0.932 3.180 1.00 0.00 C ATOM 0 H VAL A 11 -6.924 -0.711 6.054 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.503 1.664 4.374 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.441 -0.626 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.363 0.158 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.927 1.430 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.261 1.470 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.785 -1.566 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.607 -0.337 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.191 -1.556 4.030 1.00 0.00 H new ATOM 172 N GLU A 12 -8.403 2.881 5.431 1.00 0.00 N ATOM 173 CA GLU A 12 -9.553 3.620 5.918 1.00 0.00 C ATOM 174 C GLU A 12 -10.357 4.164 4.744 1.00 0.00 C ATOM 175 O GLU A 12 -9.914 5.080 4.047 1.00 0.00 O ATOM 176 CB GLU A 12 -9.104 4.763 6.827 1.00 0.00 C ATOM 177 CG GLU A 12 -10.246 5.434 7.568 1.00 0.00 C ATOM 178 CD GLU A 12 -11.034 4.456 8.414 1.00 0.00 C ATOM 179 OE1 GLU A 12 -10.615 4.179 9.557 1.00 0.00 O ATOM 180 OE2 GLU A 12 -12.071 3.951 7.938 1.00 0.00 O ATOM 0 H GLU A 12 -7.598 3.459 5.188 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.185 2.946 6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.387 4.379 7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.582 5.509 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.849 6.224 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.913 5.909 6.849 1.00 0.00 H new ATOM 187 N GLY A 13 -11.523 3.581 4.520 1.00 0.00 N ATOM 188 CA GLY A 13 -12.381 4.009 3.435 1.00 0.00 C ATOM 189 C GLY A 13 -13.003 2.835 2.710 1.00 0.00 C ATOM 190 O GLY A 13 -13.990 2.265 3.178 1.00 0.00 O ATOM 0 H GLY A 13 -11.894 2.811 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.169 4.652 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.803 4.607 2.730 1.00 0.00 H new ATOM 194 N MET A 14 -12.406 2.471 1.573 1.00 0.00 N ATOM 195 CA MET A 14 -12.862 1.357 0.753 1.00 0.00 C ATOM 196 C MET A 14 -14.285 1.556 0.234 1.00 0.00 C ATOM 197 O MET A 14 -14.901 2.606 0.429 1.00 0.00 O ATOM 198 CB MET A 14 -12.779 0.045 1.529 1.00 0.00 C ATOM 199 CG MET A 14 -11.372 -0.509 1.676 1.00 0.00 C ATOM 200 SD MET A 14 -11.348 -2.083 2.557 1.00 0.00 S ATOM 201 CE MET A 14 -9.654 -2.599 2.304 1.00 0.00 C ATOM 0 H MET A 14 -11.587 2.948 1.196 1.00 0.00 H new ATOM 0 HA MET A 14 -12.197 1.315 -0.110 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.202 0.197 2.522 1.00 0.00 H new ATOM 0 HB3 MET A 14 -13.399 -0.699 1.029 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.930 -0.641 0.688 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.753 0.213 2.208 1.00 0.00 H new ATOM 0 HE1 MET A 14 -9.635 -3.638 1.974 1.00 0.00 H new ATOM 0 HE2 MET A 14 -9.191 -1.969 1.545 1.00 0.00 H new ATOM 0 HE3 MET A 14 -9.102 -2.506 3.239 1.00 0.00 H new ATOM 211 N SER A 15 -14.785 0.540 -0.450 1.00 0.00 N ATOM 212 CA SER A 15 -16.147 0.532 -0.951 1.00 0.00 C ATOM 213 C SER A 15 -16.658 -0.905 -1.029 1.00 0.00 C ATOM 214 O SER A 15 -17.454 -1.331 -0.191 1.00 0.00 O ATOM 215 CB SER A 15 -16.224 1.220 -2.319 1.00 0.00 C ATOM 216 OG SER A 15 -17.522 1.110 -2.878 1.00 0.00 O ATOM 0 H SER A 15 -14.256 -0.303 -0.673 1.00 0.00 H new ATOM 0 HA SER A 15 -16.783 1.091 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.958 2.272 -2.215 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.495 0.773 -2.995 1.00 0.00 H new ATOM 0 HG SER A 15 -17.542 1.559 -3.749 1.00 0.00 H new ATOM 222 N CYS A 16 -16.177 -1.664 -2.012 1.00 0.00 N ATOM 223 CA CYS A 16 -16.574 -3.057 -2.152 1.00 0.00 C ATOM 224 C CYS A 16 -15.482 -3.879 -2.841 1.00 0.00 C ATOM 225 O CYS A 16 -14.774 -4.649 -2.191 1.00 0.00 O ATOM 226 CB CYS A 16 -17.889 -3.163 -2.930 1.00 0.00 C ATOM 227 SG CYS A 16 -18.555 -4.840 -3.027 1.00 0.00 S ATOM 0 H CYS A 16 -15.516 -1.337 -2.717 1.00 0.00 H new ATOM 0 HA CYS A 16 -16.722 -3.464 -1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -18.630 -2.516 -2.460 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -17.732 -2.787 -3.941 1.00 0.00 H new ATOM 0 HG CYS A 16 -19.667 -4.827 -3.701 1.00 0.00 H new ATOM 233 N GLY A 17 -15.333 -3.708 -4.151 1.00 0.00 N ATOM 234 CA GLY A 17 -14.377 -4.513 -4.892 1.00 0.00 C ATOM 235 C GLY A 17 -13.411 -3.684 -5.718 1.00 0.00 C ATOM 236 O GLY A 17 -12.210 -3.943 -5.714 1.00 0.00 O ATOM 0 H GLY A 17 -15.853 -3.032 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.811 -5.129 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.917 -5.193 -5.551 1.00 0.00 H new ATOM 240 N HIS A 18 -13.932 -2.691 -6.432 1.00 0.00 N ATOM 241 CA HIS A 18 -13.097 -1.803 -7.248 1.00 0.00 C ATOM 242 C HIS A 18 -11.986 -1.171 -6.414 1.00 0.00 C ATOM 243 O HIS A 18 -10.861 -0.992 -6.886 1.00 0.00 O ATOM 244 CB HIS A 18 -13.935 -0.698 -7.901 1.00 0.00 C ATOM 245 CG HIS A 18 -14.859 -1.183 -8.974 1.00 0.00 C ATOM 246 ND1 HIS A 18 -14.417 -1.765 -10.142 1.00 0.00 N ATOM 247 CD2 HIS A 18 -16.210 -1.165 -9.055 1.00 0.00 C ATOM 248 CE1 HIS A 18 -15.453 -2.078 -10.894 1.00 0.00 C ATOM 249 NE2 HIS A 18 -16.555 -1.729 -10.258 1.00 0.00 N ATOM 0 H HIS A 18 -14.929 -2.477 -6.465 1.00 0.00 H new ATOM 0 HA HIS A 18 -12.648 -2.415 -8.030 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -14.522 -0.199 -7.130 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.264 0.049 -8.325 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -16.891 -0.778 -8.311 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.408 -2.542 -11.868 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -17.506 -1.857 -10.603 1.00 0.00 H new ATOM 258 N CYS A 19 -12.307 -0.855 -5.164 1.00 0.00 N ATOM 259 CA CYS A 19 -11.348 -0.257 -4.245 1.00 0.00 C ATOM 260 C CYS A 19 -10.150 -1.177 -4.019 1.00 0.00 C ATOM 261 O CYS A 19 -9.044 -0.709 -3.758 1.00 0.00 O ATOM 262 CB CYS A 19 -12.026 0.056 -2.907 1.00 0.00 C ATOM 263 SG CYS A 19 -12.829 -1.368 -2.133 1.00 0.00 S ATOM 0 H CYS A 19 -13.233 -1.005 -4.762 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.986 0.669 -4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -11.281 0.457 -2.220 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -12.769 0.838 -3.063 1.00 0.00 H new ATOM 0 HG CYS A 19 -12.448 -1.460 -0.894 1.00 0.00 H new ATOM 269 N VAL A 20 -10.381 -2.483 -4.142 1.00 0.00 N ATOM 270 CA VAL A 20 -9.340 -3.482 -3.923 1.00 0.00 C ATOM 271 C VAL A 20 -8.216 -3.321 -4.943 1.00 0.00 C ATOM 272 O VAL A 20 -7.046 -3.197 -4.578 1.00 0.00 O ATOM 273 CB VAL A 20 -9.915 -4.917 -4.003 1.00 0.00 C ATOM 274 CG1 VAL A 20 -8.824 -5.961 -3.822 1.00 0.00 C ATOM 275 CG2 VAL A 20 -11.013 -5.111 -2.970 1.00 0.00 C ATOM 0 H VAL A 20 -11.288 -2.875 -4.394 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.939 -3.324 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.343 -5.049 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.261 -6.958 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.075 -5.844 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.354 -5.830 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.405 -6.126 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.606 -4.949 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.816 -4.398 -3.155 1.00 0.00 H new ATOM 285 N ASN A 21 -8.575 -3.307 -6.220 1.00 0.00 N ATOM 286 CA ASN A 21 -7.589 -3.130 -7.281 1.00 0.00 C ATOM 287 C ASN A 21 -6.976 -1.736 -7.204 1.00 0.00 C ATOM 288 O ASN A 21 -5.776 -1.562 -7.429 1.00 0.00 O ATOM 289 CB ASN A 21 -8.222 -3.336 -8.658 1.00 0.00 C ATOM 290 CG ASN A 21 -7.220 -3.188 -9.794 1.00 0.00 C ATOM 291 OD1 ASN A 21 -7.532 -2.634 -10.848 1.00 0.00 O ATOM 292 ND2 ASN A 21 -6.009 -3.696 -9.598 1.00 0.00 N ATOM 0 H ASN A 21 -9.535 -3.415 -6.546 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.808 -3.878 -7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.671 -4.328 -8.702 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.028 -2.615 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.305 -3.633 -10.333 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.783 -4.149 -8.712 1.00 0.00 H new ATOM 299 N ALA A 22 -7.807 -0.754 -6.873 1.00 0.00 N ATOM 300 CA ALA A 22 -7.361 0.630 -6.775 1.00 0.00 C ATOM 301 C ALA A 22 -6.220 0.782 -5.776 1.00 0.00 C ATOM 302 O ALA A 22 -5.143 1.266 -6.128 1.00 0.00 O ATOM 303 CB ALA A 22 -8.518 1.534 -6.388 1.00 0.00 C ATOM 0 H ALA A 22 -8.796 -0.892 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.989 0.926 -7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.168 2.564 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.301 1.467 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.917 1.221 -5.423 1.00 0.00 H new ATOM 309 N ILE A 23 -6.448 0.354 -4.536 1.00 0.00 N ATOM 310 CA ILE A 23 -5.433 0.473 -3.494 1.00 0.00 C ATOM 311 C ILE A 23 -4.225 -0.408 -3.812 1.00 0.00 C ATOM 312 O ILE A 23 -3.081 -0.030 -3.544 1.00 0.00 O ATOM 313 CB ILE A 23 -5.993 0.122 -2.093 1.00 0.00 C ATOM 314 CG1 ILE A 23 -4.898 0.240 -1.032 1.00 0.00 C ATOM 315 CG2 ILE A 23 -6.594 -1.272 -2.076 1.00 0.00 C ATOM 316 CD1 ILE A 23 -4.397 1.651 -0.838 1.00 0.00 C ATOM 0 H ILE A 23 -7.321 -0.076 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.118 1.516 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.784 0.835 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.281 -0.135 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.061 -0.399 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.979 -1.490 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.408 -1.326 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.828 -2.002 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.622 1.660 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.984 2.023 -1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.223 2.291 -0.527 1.00 0.00 H new ATOM 328 N GLU A 24 -4.486 -1.567 -4.412 1.00 0.00 N ATOM 329 CA GLU A 24 -3.424 -2.468 -4.828 1.00 0.00 C ATOM 330 C GLU A 24 -2.421 -1.733 -5.708 1.00 0.00 C ATOM 331 O GLU A 24 -1.230 -1.690 -5.402 1.00 0.00 O ATOM 332 CB GLU A 24 -4.001 -3.671 -5.574 1.00 0.00 C ATOM 333 CG GLU A 24 -2.941 -4.556 -6.205 1.00 0.00 C ATOM 334 CD GLU A 24 -3.527 -5.727 -6.958 1.00 0.00 C ATOM 335 OE1 GLU A 24 -4.485 -5.524 -7.736 1.00 0.00 O ATOM 336 OE2 GLU A 24 -3.034 -6.859 -6.775 1.00 0.00 O ATOM 0 H GLU A 24 -5.427 -1.901 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.910 -2.828 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.596 -4.267 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.677 -3.316 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.334 -3.959 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.274 -4.928 -5.427 1.00 0.00 H new ATOM 343 N SER A 25 -2.907 -1.129 -6.785 1.00 0.00 N ATOM 344 CA SER A 25 -2.034 -0.387 -7.677 1.00 0.00 C ATOM 345 C SER A 25 -1.558 0.901 -7.025 1.00 0.00 C ATOM 346 O SER A 25 -0.472 1.377 -7.320 1.00 0.00 O ATOM 347 CB SER A 25 -2.716 -0.066 -9.001 1.00 0.00 C ATOM 348 OG SER A 25 -4.003 0.503 -8.795 1.00 0.00 O ATOM 0 H SER A 25 -3.890 -1.139 -7.058 1.00 0.00 H new ATOM 0 HA SER A 25 -1.175 -1.026 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.097 0.626 -9.573 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.809 -0.976 -9.595 1.00 0.00 H new ATOM 0 HG SER A 25 -4.111 0.734 -7.849 1.00 0.00 H new ATOM 354 N SER A 26 -2.374 1.468 -6.143 1.00 0.00 N ATOM 355 CA SER A 26 -2.008 2.700 -5.461 1.00 0.00 C ATOM 356 C SER A 26 -0.651 2.547 -4.789 1.00 0.00 C ATOM 357 O SER A 26 0.138 3.484 -4.753 1.00 0.00 O ATOM 358 CB SER A 26 -3.072 3.084 -4.432 1.00 0.00 C ATOM 359 OG SER A 26 -2.743 4.297 -3.780 1.00 0.00 O ATOM 0 H SER A 26 -3.288 1.095 -5.886 1.00 0.00 H new ATOM 0 HA SER A 26 -1.944 3.498 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.039 3.184 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.172 2.288 -3.694 1.00 0.00 H new ATOM 0 HG SER A 26 -1.936 4.169 -3.239 1.00 0.00 H new ATOM 365 N VAL A 27 -0.401 1.370 -4.235 1.00 0.00 N ATOM 366 CA VAL A 27 0.918 1.044 -3.713 1.00 0.00 C ATOM 367 C VAL A 27 1.830 0.508 -4.821 1.00 0.00 C ATOM 368 O VAL A 27 2.966 0.944 -4.970 1.00 0.00 O ATOM 369 CB VAL A 27 0.833 0.003 -2.581 1.00 0.00 C ATOM 370 CG1 VAL A 27 2.191 -0.189 -1.932 1.00 0.00 C ATOM 371 CG2 VAL A 27 -0.203 0.412 -1.546 1.00 0.00 C ATOM 0 H VAL A 27 -1.092 0.626 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 27 1.339 1.967 -3.314 1.00 0.00 H new ATOM 0 HB VAL A 27 0.521 -0.947 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.112 -0.928 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.905 -0.536 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.533 0.759 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.245 -0.339 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.072 1.375 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.180 0.493 -2.022 1.00 0.00 H new ATOM 381 N LYS A 28 1.306 -0.432 -5.603 1.00 0.00 N ATOM 382 CA LYS A 28 2.091 -1.170 -6.598 1.00 0.00 C ATOM 383 C LYS A 28 2.684 -0.266 -7.691 1.00 0.00 C ATOM 384 O LYS A 28 3.748 -0.565 -8.236 1.00 0.00 O ATOM 385 CB LYS A 28 1.213 -2.255 -7.227 1.00 0.00 C ATOM 386 CG LYS A 28 1.907 -3.074 -8.297 1.00 0.00 C ATOM 387 CD LYS A 28 3.090 -3.840 -7.741 1.00 0.00 C ATOM 388 CE LYS A 28 3.838 -4.542 -8.851 1.00 0.00 C ATOM 389 NZ LYS A 28 4.871 -5.469 -8.324 1.00 0.00 N ATOM 0 H LYS A 28 0.324 -0.706 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 28 2.938 -1.618 -6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.865 -2.925 -6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.330 -1.786 -7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.196 -3.773 -8.738 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.244 -2.415 -9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.760 -3.157 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.746 -4.570 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.133 -5.098 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.311 -3.801 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.816 -5.104 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.775 -5.545 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.746 -6.408 -8.753 1.00 0.00 H new ATOM 403 N GLU A 29 1.996 0.824 -8.014 1.00 0.00 N ATOM 404 CA GLU A 29 2.468 1.764 -9.032 1.00 0.00 C ATOM 405 C GLU A 29 3.730 2.476 -8.570 1.00 0.00 C ATOM 406 O GLU A 29 4.480 3.031 -9.373 1.00 0.00 O ATOM 407 CB GLU A 29 1.385 2.786 -9.353 1.00 0.00 C ATOM 408 CG GLU A 29 0.274 2.220 -10.214 1.00 0.00 C ATOM 409 CD GLU A 29 0.657 2.113 -11.673 1.00 0.00 C ATOM 410 OE1 GLU A 29 0.441 3.092 -12.417 1.00 0.00 O ATOM 411 OE2 GLU A 29 1.171 1.052 -12.087 1.00 0.00 O ATOM 0 H GLU A 29 1.107 1.081 -7.586 1.00 0.00 H new ATOM 0 HA GLU A 29 2.701 1.196 -9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.960 3.162 -8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.836 3.637 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.000 1.233 -9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.609 2.852 -10.121 1.00 0.00 H new ATOM 418 N LEU A 30 3.942 2.462 -7.266 1.00 0.00 N ATOM 419 CA LEU A 30 5.124 3.080 -6.671 1.00 0.00 C ATOM 420 C LEU A 30 6.387 2.299 -7.027 1.00 0.00 C ATOM 421 O LEU A 30 6.460 1.082 -6.832 1.00 0.00 O ATOM 422 CB LEU A 30 4.986 3.179 -5.143 1.00 0.00 C ATOM 423 CG LEU A 30 4.246 4.412 -4.610 1.00 0.00 C ATOM 424 CD1 LEU A 30 5.057 5.668 -4.862 1.00 0.00 C ATOM 425 CD2 LEU A 30 2.872 4.542 -5.241 1.00 0.00 C ATOM 0 H LEU A 30 3.311 2.028 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 30 5.207 4.087 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.469 2.288 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.985 3.163 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 30 4.116 4.285 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.517 6.533 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.019 5.587 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.219 5.788 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.371 5.425 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.976 4.639 -6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.281 3.656 -5.011 1.00 0.00 H new ATOM 437 N ASN A 31 7.377 3.008 -7.556 1.00 0.00 N ATOM 438 CA ASN A 31 8.646 2.398 -7.933 1.00 0.00 C ATOM 439 C ASN A 31 9.415 1.948 -6.694 1.00 0.00 C ATOM 440 O ASN A 31 9.851 2.774 -5.893 1.00 0.00 O ATOM 441 CB ASN A 31 9.494 3.385 -8.745 1.00 0.00 C ATOM 442 CG ASN A 31 10.727 2.733 -9.348 1.00 0.00 C ATOM 443 OD1 ASN A 31 10.719 1.545 -9.670 1.00 0.00 O ATOM 444 ND2 ASN A 31 11.792 3.503 -9.512 1.00 0.00 N ATOM 0 H ASN A 31 7.324 4.011 -7.734 1.00 0.00 H new ATOM 0 HA ASN A 31 8.434 1.524 -8.549 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.886 3.811 -9.543 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.801 4.210 -8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.644 3.116 -9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.760 4.484 -9.233 1.00 0.00 H new ATOM 451 N GLY A 32 9.567 0.637 -6.537 1.00 0.00 N ATOM 452 CA GLY A 32 10.263 0.098 -5.390 1.00 0.00 C ATOM 453 C GLY A 32 9.424 -0.912 -4.636 1.00 0.00 C ATOM 454 O GLY A 32 9.923 -1.604 -3.749 1.00 0.00 O ATOM 0 H GLY A 32 9.217 -0.064 -7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.189 -0.374 -5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.539 0.912 -4.719 1.00 0.00 H new ATOM 458 N VAL A 33 8.149 -1.005 -4.987 1.00 0.00 N ATOM 459 CA VAL A 33 7.239 -1.914 -4.312 1.00 0.00 C ATOM 460 C VAL A 33 7.261 -3.300 -4.947 1.00 0.00 C ATOM 461 O VAL A 33 7.081 -3.452 -6.159 1.00 0.00 O ATOM 462 CB VAL A 33 5.799 -1.364 -4.309 1.00 0.00 C ATOM 463 CG1 VAL A 33 4.831 -2.378 -3.720 1.00 0.00 C ATOM 464 CG2 VAL A 33 5.744 -0.059 -3.533 1.00 0.00 C ATOM 0 H VAL A 33 7.723 -0.460 -5.737 1.00 0.00 H new ATOM 0 HA VAL A 33 7.583 -2.000 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 33 5.498 -1.175 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.822 -1.966 -3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.855 -3.292 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.121 -2.604 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.723 0.323 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.064 -0.233 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.406 0.670 -4.000 1.00 0.00 H new ATOM 474 N GLU A 34 7.474 -4.305 -4.109 1.00 0.00 N ATOM 475 CA GLU A 34 7.553 -5.687 -4.559 1.00 0.00 C ATOM 476 C GLU A 34 6.163 -6.260 -4.787 1.00 0.00 C ATOM 477 O GLU A 34 5.784 -6.563 -5.917 1.00 0.00 O ATOM 478 CB GLU A 34 8.285 -6.540 -3.524 1.00 0.00 C ATOM 479 CG GLU A 34 9.712 -6.100 -3.268 1.00 0.00 C ATOM 480 CD GLU A 34 10.602 -6.287 -4.478 1.00 0.00 C ATOM 481 OE1 GLU A 34 10.577 -5.428 -5.379 1.00 0.00 O ATOM 482 OE2 GLU A 34 11.336 -7.295 -4.538 1.00 0.00 O ATOM 0 H GLU A 34 7.596 -4.186 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 34 8.103 -5.703 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.732 -6.510 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.289 -7.577 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.718 -5.050 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.119 -6.667 -2.431 1.00 0.00 H new ATOM 489 N GLN A 35 5.408 -6.399 -3.707 1.00 0.00 N ATOM 490 CA GLN A 35 4.083 -6.993 -3.771 1.00 0.00 C ATOM 491 C GLN A 35 3.107 -6.211 -2.906 1.00 0.00 C ATOM 492 O GLN A 35 3.506 -5.583 -1.922 1.00 0.00 O ATOM 493 CB GLN A 35 4.124 -8.451 -3.312 1.00 0.00 C ATOM 494 CG GLN A 35 4.565 -8.611 -1.873 1.00 0.00 C ATOM 495 CD GLN A 35 4.535 -10.052 -1.405 1.00 0.00 C ATOM 496 OE1 GLN A 35 3.523 -10.526 -0.886 1.00 0.00 O ATOM 497 NE2 GLN A 35 5.638 -10.758 -1.584 1.00 0.00 N ATOM 0 H GLN A 35 5.693 -6.107 -2.772 1.00 0.00 H new ATOM 0 HA GLN A 35 3.746 -6.958 -4.807 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.134 -8.891 -3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.802 -9.009 -3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.576 -8.219 -1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.919 -8.012 -1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.454 -10.327 -2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.673 -11.734 -1.288 1.00 0.00 H new ATOM 506 N VAL A 36 1.838 -6.251 -3.280 1.00 0.00 N ATOM 507 CA VAL A 36 0.792 -5.573 -2.528 1.00 0.00 C ATOM 508 C VAL A 36 -0.392 -6.505 -2.331 1.00 0.00 C ATOM 509 O VAL A 36 -1.005 -6.949 -3.303 1.00 0.00 O ATOM 510 CB VAL A 36 0.295 -4.300 -3.248 1.00 0.00 C ATOM 511 CG1 VAL A 36 -0.734 -3.566 -2.399 1.00 0.00 C ATOM 512 CG2 VAL A 36 1.455 -3.383 -3.594 1.00 0.00 C ATOM 0 H VAL A 36 1.505 -6.749 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 36 1.222 -5.286 -1.568 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.184 -4.606 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.070 -2.673 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.586 -4.220 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.284 -3.279 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.078 -2.494 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.971 -3.089 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.150 -3.907 -4.250 1.00 0.00 H new ATOM 522 N LYS A 37 -0.705 -6.815 -1.085 1.00 0.00 N ATOM 523 CA LYS A 37 -1.869 -7.630 -0.786 1.00 0.00 C ATOM 524 C LYS A 37 -2.849 -6.853 0.074 1.00 0.00 C ATOM 525 O LYS A 37 -2.663 -6.729 1.287 1.00 0.00 O ATOM 526 CB LYS A 37 -1.469 -8.921 -0.071 1.00 0.00 C ATOM 527 CG LYS A 37 -2.603 -9.928 0.052 1.00 0.00 C ATOM 528 CD LYS A 37 -2.136 -11.215 0.708 1.00 0.00 C ATOM 529 CE LYS A 37 -1.057 -11.902 -0.115 1.00 0.00 C ATOM 530 NZ LYS A 37 -1.561 -12.355 -1.440 1.00 0.00 N ATOM 0 H LYS A 37 -0.172 -6.516 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.345 -7.891 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.641 -9.383 -0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.103 -8.675 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.414 -9.494 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.005 -10.148 -0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.752 -10.998 1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.984 -11.889 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.223 -11.216 -0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.672 -12.759 0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.848 -12.962 -1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.442 -12.893 -1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.746 -11.528 -2.043 1.00 0.00 H new ATOM 544 N VAL A 38 -3.871 -6.302 -0.554 1.00 0.00 N ATOM 545 CA VAL A 38 -4.919 -5.626 0.183 1.00 0.00 C ATOM 546 C VAL A 38 -5.948 -6.634 0.666 1.00 0.00 C ATOM 547 O VAL A 38 -6.568 -7.352 -0.122 1.00 0.00 O ATOM 548 CB VAL A 38 -5.604 -4.505 -0.635 1.00 0.00 C ATOM 549 CG1 VAL A 38 -6.081 -5.008 -1.988 1.00 0.00 C ATOM 550 CG2 VAL A 38 -6.760 -3.904 0.149 1.00 0.00 C ATOM 0 H VAL A 38 -3.997 -6.309 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.447 -5.143 1.039 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.861 -3.728 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.556 -4.192 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.230 -5.378 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.799 -5.815 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.230 -3.117 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.493 -4.680 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.387 -3.483 1.083 1.00 0.00 H new ATOM 560 N GLN A 39 -6.097 -6.703 1.970 1.00 0.00 N ATOM 561 CA GLN A 39 -7.039 -7.609 2.580 1.00 0.00 C ATOM 562 C GLN A 39 -8.394 -6.927 2.701 1.00 0.00 C ATOM 563 O GLN A 39 -8.563 -6.019 3.510 1.00 0.00 O ATOM 564 CB GLN A 39 -6.534 -8.041 3.957 1.00 0.00 C ATOM 565 CG GLN A 39 -6.270 -9.532 4.065 1.00 0.00 C ATOM 566 CD GLN A 39 -7.527 -10.353 3.880 1.00 0.00 C ATOM 567 OE1 GLN A 39 -8.626 -9.902 4.201 1.00 0.00 O ATOM 568 NE2 GLN A 39 -7.375 -11.559 3.360 1.00 0.00 N ATOM 0 H GLN A 39 -5.570 -6.135 2.633 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.143 -8.497 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.615 -7.500 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.268 -7.754 4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.535 -9.824 3.315 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.835 -9.752 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.444 -11.892 3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.188 -12.156 3.210 1.00 0.00 H new ATOM 577 N LEU A 40 -9.348 -7.352 1.887 1.00 0.00 N ATOM 578 CA LEU A 40 -10.670 -6.734 1.872 1.00 0.00 C ATOM 579 C LEU A 40 -11.472 -7.193 3.089 1.00 0.00 C ATOM 580 O LEU A 40 -12.317 -6.462 3.607 1.00 0.00 O ATOM 581 CB LEU A 40 -11.394 -7.082 0.555 1.00 0.00 C ATOM 582 CG LEU A 40 -12.576 -6.177 0.157 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.830 -6.520 0.947 1.00 0.00 C ATOM 584 CD2 LEU A 40 -12.220 -4.710 0.353 1.00 0.00 C ATOM 0 H LEU A 40 -9.234 -8.122 1.228 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.569 -5.650 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.662 -7.061 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.759 -8.107 0.627 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.782 -6.353 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.644 -5.863 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.109 -7.556 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.637 -6.387 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.068 -4.088 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.977 -4.531 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.360 -4.458 -0.267 1.00 0.00 H new ATOM 596 N ALA A 41 -11.174 -8.395 3.562 1.00 0.00 N ATOM 597 CA ALA A 41 -11.872 -8.956 4.709 1.00 0.00 C ATOM 598 C ALA A 41 -11.368 -8.339 6.008 1.00 0.00 C ATOM 599 O ALA A 41 -12.131 -8.137 6.949 1.00 0.00 O ATOM 600 CB ALA A 41 -11.710 -10.465 4.740 1.00 0.00 C ATOM 0 H ALA A 41 -10.453 -9.000 3.169 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.932 -8.721 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.238 -10.870 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.124 -10.894 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.652 -10.716 4.811 1.00 0.00 H new ATOM 606 N GLU A 42 -10.077 -8.044 6.055 1.00 0.00 N ATOM 607 CA GLU A 42 -9.478 -7.436 7.237 1.00 0.00 C ATOM 608 C GLU A 42 -9.534 -5.915 7.170 1.00 0.00 C ATOM 609 O GLU A 42 -9.678 -5.246 8.194 1.00 0.00 O ATOM 610 CB GLU A 42 -8.029 -7.895 7.406 1.00 0.00 C ATOM 611 CG GLU A 42 -7.901 -9.329 7.890 1.00 0.00 C ATOM 612 CD GLU A 42 -6.462 -9.761 8.072 1.00 0.00 C ATOM 613 OE1 GLU A 42 -5.789 -9.241 8.984 1.00 0.00 O ATOM 614 OE2 GLU A 42 -5.996 -10.638 7.320 1.00 0.00 O ATOM 0 H GLU A 42 -9.424 -8.215 5.290 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.058 -7.762 8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.511 -7.794 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.527 -7.235 8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.430 -9.437 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.387 -9.993 7.176 1.00 0.00 H new ATOM 621 N GLY A 43 -9.435 -5.374 5.964 1.00 0.00 N ATOM 622 CA GLY A 43 -9.408 -3.934 5.797 1.00 0.00 C ATOM 623 C GLY A 43 -8.002 -3.385 5.924 1.00 0.00 C ATOM 624 O GLY A 43 -7.798 -2.269 6.402 1.00 0.00 O ATOM 0 H GLY A 43 -9.373 -5.907 5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.815 -3.673 4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.050 -3.468 6.544 1.00 0.00 H new ATOM 628 N THR A 44 -7.029 -4.170 5.487 1.00 0.00 N ATOM 629 CA THR A 44 -5.631 -3.806 5.639 1.00 0.00 C ATOM 630 C THR A 44 -4.853 -4.023 4.349 1.00 0.00 C ATOM 631 O THR A 44 -5.403 -4.482 3.350 1.00 0.00 O ATOM 632 CB THR A 44 -4.970 -4.616 6.772 1.00 0.00 C ATOM 633 OG1 THR A 44 -5.336 -5.999 6.666 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.372 -4.081 8.138 1.00 0.00 C ATOM 0 H THR A 44 -7.184 -5.065 5.023 1.00 0.00 H new ATOM 0 HA THR A 44 -5.605 -2.746 5.890 1.00 0.00 H new ATOM 0 HB THR A 44 -3.889 -4.517 6.670 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.910 -6.506 7.388 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.890 -4.672 8.917 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.060 -3.040 8.227 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.454 -4.146 8.250 1.00 0.00 H new ATOM 642 N VAL A 45 -3.574 -3.679 4.377 1.00 0.00 N ATOM 643 CA VAL A 45 -2.713 -3.803 3.211 1.00 0.00 C ATOM 644 C VAL A 45 -1.335 -4.317 3.605 1.00 0.00 C ATOM 645 O VAL A 45 -0.546 -3.603 4.223 1.00 0.00 O ATOM 646 CB VAL A 45 -2.565 -2.459 2.457 1.00 0.00 C ATOM 647 CG1 VAL A 45 -3.312 -2.513 1.137 1.00 0.00 C ATOM 648 CG2 VAL A 45 -3.075 -1.298 3.299 1.00 0.00 C ATOM 0 H VAL A 45 -3.106 -3.308 5.204 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.189 -4.521 2.543 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.505 -2.297 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.200 -1.562 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.904 -3.314 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.369 -2.702 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.958 -0.367 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.129 -1.452 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.504 -1.242 4.226 1.00 0.00 H new ATOM 658 N GLU A 46 -1.062 -5.564 3.262 1.00 0.00 N ATOM 659 CA GLU A 46 0.233 -6.165 3.529 1.00 0.00 C ATOM 660 C GLU A 46 1.149 -5.936 2.335 1.00 0.00 C ATOM 661 O GLU A 46 0.946 -6.511 1.263 1.00 0.00 O ATOM 662 CB GLU A 46 0.078 -7.661 3.810 1.00 0.00 C ATOM 663 CG GLU A 46 -0.927 -7.966 4.911 1.00 0.00 C ATOM 664 CD GLU A 46 -1.014 -9.443 5.236 1.00 0.00 C ATOM 665 OE1 GLU A 46 -1.803 -10.159 4.584 1.00 0.00 O ATOM 666 OE2 GLU A 46 -0.299 -9.895 6.153 1.00 0.00 O ATOM 0 H GLU A 46 -1.725 -6.183 2.795 1.00 0.00 H new ATOM 0 HA GLU A 46 0.673 -5.700 4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.232 -8.165 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.048 -8.074 4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.651 -7.417 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.911 -7.607 4.608 1.00 0.00 H new ATOM 673 N VAL A 47 2.134 -5.067 2.509 1.00 0.00 N ATOM 674 CA VAL A 47 2.982 -4.657 1.403 1.00 0.00 C ATOM 675 C VAL A 47 4.460 -4.896 1.708 1.00 0.00 C ATOM 676 O VAL A 47 4.913 -4.690 2.836 1.00 0.00 O ATOM 677 CB VAL A 47 2.773 -3.162 1.070 1.00 0.00 C ATOM 678 CG1 VAL A 47 3.591 -2.756 -0.143 1.00 0.00 C ATOM 679 CG2 VAL A 47 1.298 -2.856 0.845 1.00 0.00 C ATOM 0 H VAL A 47 2.364 -4.634 3.403 1.00 0.00 H new ATOM 0 HA VAL A 47 2.696 -5.265 0.545 1.00 0.00 H new ATOM 0 HB VAL A 47 3.117 -2.579 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.426 -1.700 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.649 -2.925 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.286 -3.352 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.177 -1.798 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.925 -3.455 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.735 -3.096 1.747 1.00 0.00 H new ATOM 689 N THR A 48 5.194 -5.346 0.698 1.00 0.00 N ATOM 690 CA THR A 48 6.641 -5.457 0.781 1.00 0.00 C ATOM 691 C THR A 48 7.279 -4.399 -0.111 1.00 0.00 C ATOM 692 O THR A 48 7.094 -4.418 -1.329 1.00 0.00 O ATOM 693 CB THR A 48 7.126 -6.852 0.334 1.00 0.00 C ATOM 694 OG1 THR A 48 6.359 -7.868 0.996 1.00 0.00 O ATOM 695 CG2 THR A 48 8.606 -7.044 0.648 1.00 0.00 C ATOM 0 H THR A 48 4.804 -5.642 -0.196 1.00 0.00 H new ATOM 0 HA THR A 48 6.934 -5.308 1.820 1.00 0.00 H new ATOM 0 HB THR A 48 6.989 -6.931 -0.744 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.431 -8.709 0.498 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.921 -8.035 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.190 -6.287 0.124 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.766 -6.947 1.722 1.00 0.00 H new ATOM 703 N ILE A 49 7.999 -3.462 0.486 1.00 0.00 N ATOM 704 CA ILE A 49 8.616 -2.389 -0.280 1.00 0.00 C ATOM 705 C ILE A 49 10.130 -2.463 -0.206 1.00 0.00 C ATOM 706 O ILE A 49 10.690 -3.118 0.674 1.00 0.00 O ATOM 707 CB ILE A 49 8.185 -0.993 0.220 1.00 0.00 C ATOM 708 CG1 ILE A 49 8.690 -0.756 1.649 1.00 0.00 C ATOM 709 CG2 ILE A 49 6.673 -0.852 0.152 1.00 0.00 C ATOM 710 CD1 ILE A 49 8.672 0.697 2.078 1.00 0.00 C ATOM 0 H ILE A 49 8.170 -3.422 1.491 1.00 0.00 H new ATOM 0 HA ILE A 49 8.279 -2.524 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 49 8.630 -0.237 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.078 -1.335 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.709 -1.135 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.383 0.137 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.342 -0.978 -0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.208 -1.613 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.044 0.779 3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.308 1.281 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.652 1.078 2.031 1.00 0.00 H new ATOM 722 N ASP A 50 10.782 -1.798 -1.141 1.00 0.00 N ATOM 723 CA ASP A 50 12.216 -1.595 -1.076 1.00 0.00 C ATOM 724 C ASP A 50 12.484 -0.185 -0.584 1.00 0.00 C ATOM 725 O ASP A 50 12.337 0.779 -1.338 1.00 0.00 O ATOM 726 CB ASP A 50 12.869 -1.774 -2.446 1.00 0.00 C ATOM 727 CG ASP A 50 14.387 -1.788 -2.366 1.00 0.00 C ATOM 728 OD1 ASP A 50 14.944 -1.569 -1.269 1.00 0.00 O ATOM 729 OD2 ASP A 50 15.031 -2.041 -3.403 1.00 0.00 O ATOM 0 H ASP A 50 10.336 -1.386 -1.961 1.00 0.00 H new ATOM 0 HA ASP A 50 12.640 -2.335 -0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.523 -2.706 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.550 -0.967 -3.106 1.00 0.00 H new ATOM 734 N SER A 51 12.871 -0.057 0.673 1.00 0.00 N ATOM 735 CA SER A 51 13.076 1.252 1.271 1.00 0.00 C ATOM 736 C SER A 51 14.417 1.851 0.842 1.00 0.00 C ATOM 737 O SER A 51 14.790 2.941 1.278 1.00 0.00 O ATOM 738 CB SER A 51 12.967 1.152 2.795 1.00 0.00 C ATOM 739 OG SER A 51 13.287 2.378 3.433 1.00 0.00 O ATOM 0 H SER A 51 13.050 -0.842 1.299 1.00 0.00 H new ATOM 0 HA SER A 51 12.297 1.926 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.954 0.855 3.067 1.00 0.00 H new ATOM 0 HB3 SER A 51 13.636 0.370 3.156 1.00 0.00 H new ATOM 0 HG SER A 51 13.770 2.956 2.807 1.00 0.00 H new ATOM 745 N SER A 52 15.137 1.139 -0.015 1.00 0.00 N ATOM 746 CA SER A 52 16.337 1.684 -0.629 1.00 0.00 C ATOM 747 C SER A 52 15.975 2.391 -1.930 1.00 0.00 C ATOM 748 O SER A 52 16.830 2.964 -2.607 1.00 0.00 O ATOM 749 CB SER A 52 17.357 0.572 -0.884 1.00 0.00 C ATOM 750 OG SER A 52 17.795 -0.009 0.338 1.00 0.00 O ATOM 0 H SER A 52 14.911 0.186 -0.299 1.00 0.00 H new ATOM 0 HA SER A 52 16.787 2.408 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.912 -0.196 -1.517 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.212 0.976 -1.426 1.00 0.00 H new ATOM 0 HG SER A 52 18.445 -0.718 0.149 1.00 0.00 H new ATOM 756 N VAL A 53 14.692 2.350 -2.268 1.00 0.00 N ATOM 757 CA VAL A 53 14.193 2.975 -3.482 1.00 0.00 C ATOM 758 C VAL A 53 13.008 3.884 -3.176 1.00 0.00 C ATOM 759 O VAL A 53 13.035 5.080 -3.470 1.00 0.00 O ATOM 760 CB VAL A 53 13.763 1.918 -4.520 1.00 0.00 C ATOM 761 CG1 VAL A 53 13.168 2.587 -5.751 1.00 0.00 C ATOM 762 CG2 VAL A 53 14.940 1.030 -4.901 1.00 0.00 C ATOM 0 H VAL A 53 13.974 1.886 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 53 15.008 3.568 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 53 12.995 1.288 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.871 1.825 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.295 3.172 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 53 13.911 3.244 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.616 0.291 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 53 15.734 1.642 -5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.314 0.520 -4.013 1.00 0.00 H new ATOM 772 N VAL A 54 11.967 3.310 -2.593 1.00 0.00 N ATOM 773 CA VAL A 54 10.771 4.064 -2.258 1.00 0.00 C ATOM 774 C VAL A 54 10.584 4.117 -0.740 1.00 0.00 C ATOM 775 O VAL A 54 10.942 3.174 -0.033 1.00 0.00 O ATOM 776 CB VAL A 54 9.517 3.447 -2.926 1.00 0.00 C ATOM 777 CG1 VAL A 54 9.228 2.056 -2.382 1.00 0.00 C ATOM 778 CG2 VAL A 54 8.306 4.354 -2.767 1.00 0.00 C ATOM 0 H VAL A 54 11.927 2.322 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 54 10.896 5.078 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 54 9.727 3.351 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.342 1.651 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.080 1.405 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.055 2.114 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.442 3.894 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.098 4.501 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.509 5.318 -3.234 1.00 0.00 H new ATOM 788 N THR A 55 10.050 5.219 -0.239 1.00 0.00 N ATOM 789 CA THR A 55 9.773 5.335 1.181 1.00 0.00 C ATOM 790 C THR A 55 8.272 5.258 1.431 1.00 0.00 C ATOM 791 O THR A 55 7.474 5.391 0.498 1.00 0.00 O ATOM 792 CB THR A 55 10.356 6.633 1.782 1.00 0.00 C ATOM 793 OG1 THR A 55 9.898 7.785 1.058 1.00 0.00 O ATOM 794 CG2 THR A 55 11.878 6.592 1.769 1.00 0.00 C ATOM 0 H THR A 55 9.802 6.040 -0.791 1.00 0.00 H new ATOM 0 HA THR A 55 10.263 4.500 1.681 1.00 0.00 H new ATOM 0 HB THR A 55 10.010 6.707 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.287 7.502 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 55 12.270 7.515 2.196 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.224 5.743 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.230 6.489 0.743 1.00 0.00 H new ATOM 802 N LEU A 56 7.894 5.039 2.681 1.00 0.00 N ATOM 803 CA LEU A 56 6.496 4.844 3.042 1.00 0.00 C ATOM 804 C LEU A 56 5.658 6.075 2.704 1.00 0.00 C ATOM 805 O LEU A 56 4.536 5.951 2.214 1.00 0.00 O ATOM 806 CB LEU A 56 6.379 4.526 4.536 1.00 0.00 C ATOM 807 CG LEU A 56 4.963 4.219 5.033 1.00 0.00 C ATOM 808 CD1 LEU A 56 4.413 2.969 4.360 1.00 0.00 C ATOM 809 CD2 LEU A 56 4.953 4.058 6.545 1.00 0.00 C ATOM 0 H LEU A 56 8.540 4.991 3.469 1.00 0.00 H new ATOM 0 HA LEU A 56 6.113 4.005 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.018 3.671 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.769 5.372 5.102 1.00 0.00 H new ATOM 0 HG LEU A 56 4.320 5.059 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.407 2.770 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.381 3.121 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.057 2.120 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.939 3.840 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.613 3.238 6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.300 4.980 7.011 1.00 0.00 H new ATOM 821 N LYS A 57 6.214 7.258 2.951 1.00 0.00 N ATOM 822 CA LYS A 57 5.481 8.507 2.754 1.00 0.00 C ATOM 823 C LYS A 57 5.085 8.691 1.290 1.00 0.00 C ATOM 824 O LYS A 57 4.005 9.204 1.005 1.00 0.00 O ATOM 825 CB LYS A 57 6.314 9.696 3.234 1.00 0.00 C ATOM 826 CG LYS A 57 5.491 10.803 3.881 1.00 0.00 C ATOM 827 CD LYS A 57 4.718 11.630 2.866 1.00 0.00 C ATOM 828 CE LYS A 57 3.879 12.697 3.552 1.00 0.00 C ATOM 829 NZ LYS A 57 2.726 12.110 4.288 1.00 0.00 N ATOM 0 H LYS A 57 7.169 7.379 3.288 1.00 0.00 H new ATOM 0 HA LYS A 57 4.567 8.457 3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.056 9.342 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.860 10.110 2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.792 10.362 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.153 11.458 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.413 12.101 2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.072 10.978 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.504 13.259 4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.512 13.404 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.097 12.872 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.201 11.471 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.074 11.576 5.110 1.00 0.00 H new ATOM 843 N ASP A 58 5.953 8.265 0.368 1.00 0.00 N ATOM 844 CA ASP A 58 5.641 8.336 -1.065 1.00 0.00 C ATOM 845 C ASP A 58 4.349 7.586 -1.339 1.00 0.00 C ATOM 846 O ASP A 58 3.405 8.110 -1.943 1.00 0.00 O ATOM 847 CB ASP A 58 6.747 7.704 -1.922 1.00 0.00 C ATOM 848 CG ASP A 58 8.101 8.360 -1.768 1.00 0.00 C ATOM 849 OD1 ASP A 58 8.234 9.555 -2.102 1.00 0.00 O ATOM 850 OD2 ASP A 58 9.052 7.672 -1.343 1.00 0.00 O ATOM 0 H ASP A 58 6.869 7.871 0.583 1.00 0.00 H new ATOM 0 HA ASP A 58 5.550 9.390 -1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.835 6.649 -1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.450 7.750 -2.970 1.00 0.00 H new ATOM 855 N ILE A 59 4.325 6.352 -0.863 1.00 0.00 N ATOM 856 CA ILE A 59 3.191 5.468 -1.042 1.00 0.00 C ATOM 857 C ILE A 59 1.958 6.035 -0.355 1.00 0.00 C ATOM 858 O ILE A 59 0.892 6.111 -0.957 1.00 0.00 O ATOM 859 CB ILE A 59 3.507 4.070 -0.479 1.00 0.00 C ATOM 860 CG1 ILE A 59 4.796 3.538 -1.106 1.00 0.00 C ATOM 861 CG2 ILE A 59 2.353 3.116 -0.736 1.00 0.00 C ATOM 862 CD1 ILE A 59 5.262 2.227 -0.521 1.00 0.00 C ATOM 0 H ILE A 59 5.096 5.936 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 59 2.990 5.383 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 59 3.646 4.148 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.643 3.413 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.583 4.281 -0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.596 2.134 -0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.453 3.495 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.181 3.033 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.181 1.914 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.448 2.350 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.493 1.469 -0.670 1.00 0.00 H new ATOM 874 N VAL A 60 2.119 6.449 0.897 1.00 0.00 N ATOM 875 CA VAL A 60 1.024 7.041 1.659 1.00 0.00 C ATOM 876 C VAL A 60 0.431 8.241 0.919 1.00 0.00 C ATOM 877 O VAL A 60 -0.789 8.373 0.813 1.00 0.00 O ATOM 878 CB VAL A 60 1.486 7.480 3.066 1.00 0.00 C ATOM 879 CG1 VAL A 60 0.385 8.230 3.795 1.00 0.00 C ATOM 880 CG2 VAL A 60 1.926 6.276 3.882 1.00 0.00 C ATOM 0 H VAL A 60 3.000 6.385 1.408 1.00 0.00 H new ATOM 0 HA VAL A 60 0.258 6.273 1.769 1.00 0.00 H new ATOM 0 HB VAL A 60 2.335 8.153 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.739 8.526 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.111 9.118 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.487 7.584 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.248 6.604 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.092 5.581 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.754 5.777 3.378 1.00 0.00 H new ATOM 890 N ALA A 61 1.302 9.093 0.390 1.00 0.00 N ATOM 891 CA ALA A 61 0.873 10.274 -0.350 1.00 0.00 C ATOM 892 C ALA A 61 -0.001 9.885 -1.540 1.00 0.00 C ATOM 893 O ALA A 61 -1.004 10.541 -1.826 1.00 0.00 O ATOM 894 CB ALA A 61 2.080 11.072 -0.817 1.00 0.00 C ATOM 0 H ALA A 61 2.314 8.987 0.460 1.00 0.00 H new ATOM 0 HA ALA A 61 0.278 10.897 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.744 11.951 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.664 11.387 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.698 10.451 -1.466 1.00 0.00 H new ATOM 900 N VAL A 62 0.384 8.815 -2.228 1.00 0.00 N ATOM 901 CA VAL A 62 -0.395 8.320 -3.358 1.00 0.00 C ATOM 902 C VAL A 62 -1.683 7.639 -2.885 1.00 0.00 C ATOM 903 O VAL A 62 -2.748 7.837 -3.470 1.00 0.00 O ATOM 904 CB VAL A 62 0.426 7.337 -4.222 1.00 0.00 C ATOM 905 CG1 VAL A 62 -0.395 6.827 -5.400 1.00 0.00 C ATOM 906 CG2 VAL A 62 1.702 8.004 -4.712 1.00 0.00 C ATOM 0 H VAL A 62 1.226 8.276 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.657 9.184 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 62 0.693 6.481 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.207 6.137 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.281 6.310 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.699 7.668 -6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.271 7.300 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.448 8.878 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.303 8.313 -3.857 1.00 0.00 H new ATOM 916 N ILE A 63 -1.582 6.857 -1.813 1.00 0.00 N ATOM 917 CA ILE A 63 -2.728 6.126 -1.273 1.00 0.00 C ATOM 918 C ILE A 63 -3.840 7.071 -0.833 1.00 0.00 C ATOM 919 O ILE A 63 -5.003 6.885 -1.192 1.00 0.00 O ATOM 920 CB ILE A 63 -2.329 5.238 -0.075 1.00 0.00 C ATOM 921 CG1 ILE A 63 -1.391 4.113 -0.520 1.00 0.00 C ATOM 922 CG2 ILE A 63 -3.568 4.659 0.592 1.00 0.00 C ATOM 923 CD1 ILE A 63 -0.924 3.232 0.620 1.00 0.00 C ATOM 0 H ILE A 63 -0.714 6.712 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.091 5.493 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.800 5.859 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.901 3.496 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.522 4.549 -1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.270 4.035 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.203 5.471 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.121 4.056 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.263 2.456 0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.386 3.837 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.787 2.768 1.098 1.00 0.00 H new ATOM 935 N GLU A 64 -3.485 8.086 -0.055 1.00 0.00 N ATOM 936 CA GLU A 64 -4.473 9.022 0.464 1.00 0.00 C ATOM 937 C GLU A 64 -5.089 9.831 -0.669 1.00 0.00 C ATOM 938 O GLU A 64 -6.235 10.274 -0.585 1.00 0.00 O ATOM 939 CB GLU A 64 -3.847 9.951 1.503 1.00 0.00 C ATOM 940 CG GLU A 64 -3.200 9.218 2.669 1.00 0.00 C ATOM 941 CD GLU A 64 -2.803 10.160 3.786 1.00 0.00 C ATOM 942 OE1 GLU A 64 -1.742 10.810 3.673 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.554 10.265 4.779 1.00 0.00 O ATOM 0 H GLU A 64 -2.525 8.281 0.229 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.262 8.448 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.097 10.573 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.616 10.621 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.893 8.470 3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.318 8.683 2.316 1.00 0.00 H new ATOM 950 N ASP A 65 -4.330 9.985 -1.743 1.00 0.00 N ATOM 951 CA ASP A 65 -4.808 10.666 -2.938 1.00 0.00 C ATOM 952 C ASP A 65 -5.925 9.860 -3.597 1.00 0.00 C ATOM 953 O ASP A 65 -6.778 10.410 -4.292 1.00 0.00 O ATOM 954 CB ASP A 65 -3.647 10.878 -3.914 1.00 0.00 C ATOM 955 CG ASP A 65 -4.091 11.445 -5.245 1.00 0.00 C ATOM 956 OD1 ASP A 65 -4.456 12.638 -5.298 1.00 0.00 O ATOM 957 OD2 ASP A 65 -4.068 10.700 -6.247 1.00 0.00 O ATOM 0 H ASP A 65 -3.371 9.644 -1.812 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.211 11.639 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.919 11.552 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.141 9.927 -4.081 1.00 0.00 H new ATOM 962 N GLN A 66 -5.927 8.555 -3.346 1.00 0.00 N ATOM 963 CA GLN A 66 -6.945 7.664 -3.892 1.00 0.00 C ATOM 964 C GLN A 66 -8.194 7.667 -3.015 1.00 0.00 C ATOM 965 O GLN A 66 -9.194 7.025 -3.340 1.00 0.00 O ATOM 966 CB GLN A 66 -6.399 6.239 -4.002 1.00 0.00 C ATOM 967 CG GLN A 66 -5.121 6.138 -4.810 1.00 0.00 C ATOM 968 CD GLN A 66 -5.306 6.533 -6.258 1.00 0.00 C ATOM 969 OE1 GLN A 66 -6.377 6.352 -6.838 1.00 0.00 O ATOM 970 NE2 GLN A 66 -4.260 7.083 -6.846 1.00 0.00 N ATOM 0 H GLN A 66 -5.231 8.089 -2.765 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.213 8.025 -4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.217 5.851 -3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.158 5.603 -4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.361 6.776 -4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.747 5.115 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.392 7.213 -6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.319 7.378 -7.821 1.00 0.00 H new ATOM 979 N GLY A 67 -8.125 8.374 -1.895 1.00 0.00 N ATOM 980 CA GLY A 67 -9.272 8.482 -1.015 1.00 0.00 C ATOM 981 C GLY A 67 -9.214 7.517 0.150 1.00 0.00 C ATOM 982 O GLY A 67 -10.218 6.898 0.501 1.00 0.00 O ATOM 0 H GLY A 67 -7.294 8.875 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.336 9.501 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.181 8.298 -1.587 1.00 0.00 H new ATOM 986 N TYR A 68 -8.037 7.371 0.746 1.00 0.00 N ATOM 987 CA TYR A 68 -7.879 6.514 1.912 1.00 0.00 C ATOM 988 C TYR A 68 -7.016 7.205 2.950 1.00 0.00 C ATOM 989 O TYR A 68 -6.030 7.845 2.616 1.00 0.00 O ATOM 990 CB TYR A 68 -7.238 5.172 1.546 1.00 0.00 C ATOM 991 CG TYR A 68 -7.914 4.454 0.397 1.00 0.00 C ATOM 992 CD1 TYR A 68 -9.077 3.721 0.598 1.00 0.00 C ATOM 993 CD2 TYR A 68 -7.388 4.506 -0.886 1.00 0.00 C ATOM 994 CE1 TYR A 68 -9.700 3.070 -0.448 1.00 0.00 C ATOM 995 CE2 TYR A 68 -8.004 3.858 -1.938 1.00 0.00 C ATOM 996 CZ TYR A 68 -9.158 3.139 -1.712 1.00 0.00 C ATOM 997 OH TYR A 68 -9.780 2.497 -2.758 1.00 0.00 O ATOM 0 H TYR A 68 -7.181 7.834 0.441 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.874 6.324 2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.192 5.340 1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.252 4.524 2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -9.501 3.659 1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.480 5.063 -1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.607 2.510 -0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.584 3.914 -2.932 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.271 2.645 -3.582 1.00 0.00 H new ATOM 1007 N ASP A 69 -7.382 7.067 4.206 1.00 0.00 N ATOM 1008 CA ASP A 69 -6.621 7.681 5.285 1.00 0.00 C ATOM 1009 C ASP A 69 -5.734 6.639 5.942 1.00 0.00 C ATOM 1010 O ASP A 69 -6.169 5.903 6.826 1.00 0.00 O ATOM 1011 CB ASP A 69 -7.550 8.321 6.320 1.00 0.00 C ATOM 1012 CG ASP A 69 -8.376 9.448 5.736 1.00 0.00 C ATOM 1013 OD1 ASP A 69 -7.861 10.580 5.635 1.00 0.00 O ATOM 1014 OD2 ASP A 69 -9.547 9.206 5.371 1.00 0.00 O ATOM 0 H ASP A 69 -8.199 6.537 4.510 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.998 8.470 4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.215 7.560 6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.956 8.702 7.151 1.00 0.00 H new ATOM 1019 N VAL A 70 -4.493 6.563 5.490 1.00 0.00 N ATOM 1020 CA VAL A 70 -3.593 5.508 5.929 1.00 0.00 C ATOM 1021 C VAL A 70 -2.465 6.048 6.796 1.00 0.00 C ATOM 1022 O VAL A 70 -1.993 7.171 6.597 1.00 0.00 O ATOM 1023 CB VAL A 70 -3.003 4.738 4.727 1.00 0.00 C ATOM 1024 CG1 VAL A 70 -4.112 4.055 3.949 1.00 0.00 C ATOM 1025 CG2 VAL A 70 -2.225 5.667 3.812 1.00 0.00 C ATOM 0 H VAL A 70 -4.086 7.217 4.821 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.188 4.822 6.531 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.317 3.984 5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.685 3.515 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.635 3.354 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.814 4.804 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.821 5.098 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.888 6.446 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.407 6.124 4.368 1.00 0.00 H new