USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 GLN : amide:sc= 0.848 K(o=1.5,f=-1.3!) USER MOD Set 1.2: A 41 ASN : amide:sc= 0.659 K(o=1.5,f=-0.72) USER MOD Set 2.1: A 25 ASN : amide:sc= 1.05 K(o=3.6,f=-6) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 178:sc= 2.5 (180deg=1.2) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.122 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -141:sc= 0 (180deg=-1.34) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.03 (180deg=0.969) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00288) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.12) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -77:sc= 0.319 USER MOD Single : A 20 SER OG : rot -29:sc= 0.487 USER MOD Single : A 22 THR OG1 : rot 172:sc= 0.422 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.13 (180deg=0.71) USER MOD Single : A 31 GLN : amide:sc= 1.22 K(o=1.2,f=-0.0049) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0967 K(o=-0.097,f=-1.7) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -35:sc= 0.779 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 62 GLN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= 1.99 (180deg=1.27) USER MOD Single : A 65 SER OG : rot 79:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.461 -9.912 7.878 1.00 0.00 N ATOM 2 CA MET A 1 -6.823 -10.250 6.583 1.00 0.00 C ATOM 3 C MET A 1 -5.403 -9.677 6.537 1.00 0.00 C ATOM 4 O MET A 1 -5.199 -8.517 6.885 1.00 0.00 O ATOM 5 CB MET A 1 -7.734 -9.770 5.427 1.00 0.00 C ATOM 6 CG MET A 1 -7.079 -9.280 4.132 1.00 0.00 C ATOM 7 SD MET A 1 -8.170 -8.162 3.209 1.00 0.00 S ATOM 8 CE MET A 1 -7.438 -8.225 1.561 1.00 0.00 C ATOM 0 H1 MET A 1 -8.451 -10.229 7.870 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.951 -10.387 8.650 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.428 -8.883 8.023 1.00 0.00 H new ATOM 0 HA MET A 1 -6.714 -11.329 6.469 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.402 -10.592 5.169 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.356 -8.961 5.810 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.147 -8.766 4.367 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.823 -10.136 3.508 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.463 -7.231 1.114 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.405 -8.564 1.635 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.004 -8.918 0.938 1.00 0.00 H new ATOM 20 N GLN A 2 -4.407 -10.463 6.130 1.00 0.00 N ATOM 21 CA GLN A 2 -3.063 -9.943 5.829 1.00 0.00 C ATOM 22 C GLN A 2 -2.966 -9.354 4.412 1.00 0.00 C ATOM 23 O GLN A 2 -3.550 -9.895 3.472 1.00 0.00 O ATOM 24 CB GLN A 2 -1.988 -11.030 6.053 1.00 0.00 C ATOM 25 CG GLN A 2 -1.419 -10.984 7.477 1.00 0.00 C ATOM 26 CD GLN A 2 -0.720 -12.281 7.905 1.00 0.00 C ATOM 27 OE1 GLN A 2 -1.176 -13.393 7.659 1.00 0.00 O ATOM 28 NE2 GLN A 2 0.397 -12.207 8.592 1.00 0.00 N ATOM 0 H GLN A 2 -4.502 -11.470 5.999 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.876 -9.125 6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.421 -12.013 5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.180 -10.895 5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.710 -10.159 7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.228 -10.771 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.801 -11.297 8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.861 -13.060 8.905 1.00 0.00 H new ATOM 37 N ILE A 3 -2.144 -8.313 4.248 1.00 0.00 N ATOM 38 CA ILE A 3 -1.648 -7.795 2.957 1.00 0.00 C ATOM 39 C ILE A 3 -0.187 -7.335 3.100 1.00 0.00 C ATOM 40 O ILE A 3 0.282 -7.063 4.209 1.00 0.00 O ATOM 41 CB ILE A 3 -2.531 -6.652 2.387 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.547 -5.399 3.290 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.955 -7.140 2.074 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.322 -4.202 2.715 1.00 0.00 C ATOM 0 H ILE A 3 -1.787 -7.781 5.042 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.702 -8.614 2.239 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.069 -6.348 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.982 -5.667 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.519 -5.091 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.544 -6.313 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.911 -7.941 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.421 -7.512 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.279 -3.369 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.876 -3.901 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.362 -4.486 2.553 1.00 0.00 H new ATOM 56 N PHE A 4 0.519 -7.238 1.972 1.00 0.00 N ATOM 57 CA PHE A 4 1.941 -6.911 1.891 1.00 0.00 C ATOM 58 C PHE A 4 2.233 -5.692 1.008 1.00 0.00 C ATOM 59 O PHE A 4 1.466 -5.397 0.092 1.00 0.00 O ATOM 60 CB PHE A 4 2.727 -8.130 1.384 1.00 0.00 C ATOM 61 CG PHE A 4 2.619 -9.370 2.250 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.369 -9.486 3.434 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.775 -10.426 1.854 1.00 0.00 C ATOM 64 CE1 PHE A 4 3.279 -10.652 4.216 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.680 -11.589 2.639 1.00 0.00 C ATOM 66 CZ PHE A 4 2.432 -11.703 3.822 1.00 0.00 C ATOM 0 H PHE A 4 0.098 -7.391 1.055 1.00 0.00 H new ATOM 0 HA PHE A 4 2.262 -6.648 2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.380 -8.375 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.778 -7.855 1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.015 -8.678 3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.199 -10.342 0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.862 -10.740 5.121 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.029 -12.395 2.333 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.359 -12.595 4.426 1.00 0.00 H new ATOM 76 N VAL A 5 3.376 -5.028 1.215 1.00 0.00 N ATOM 77 CA VAL A 5 3.901 -3.962 0.334 1.00 0.00 C ATOM 78 C VAL A 5 5.357 -4.182 -0.084 1.00 0.00 C ATOM 79 O VAL A 5 6.180 -4.567 0.745 1.00 0.00 O ATOM 80 CB VAL A 5 3.674 -2.529 0.871 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.799 -1.481 -0.243 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.320 -2.336 1.570 1.00 0.00 C ATOM 0 H VAL A 5 3.980 -5.216 2.015 1.00 0.00 H new ATOM 0 HA VAL A 5 3.295 -4.045 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 5 4.459 -2.388 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.633 -0.487 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.797 -1.530 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.056 -1.680 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.234 -1.307 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.514 -2.549 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.249 -3.015 2.420 1.00 0.00 H new ATOM 92 N LYS A 6 5.680 -3.912 -1.355 1.00 0.00 N ATOM 93 CA LYS A 6 7.015 -4.012 -1.961 1.00 0.00 C ATOM 94 C LYS A 6 7.609 -2.611 -2.045 1.00 0.00 C ATOM 95 O LYS A 6 7.145 -1.809 -2.853 1.00 0.00 O ATOM 96 CB LYS A 6 6.854 -4.677 -3.347 1.00 0.00 C ATOM 97 CG LYS A 6 7.979 -4.472 -4.377 1.00 0.00 C ATOM 98 CD LYS A 6 9.294 -5.185 -4.009 1.00 0.00 C ATOM 99 CE LYS A 6 10.317 -5.009 -5.141 1.00 0.00 C ATOM 100 NZ LYS A 6 11.517 -5.867 -4.980 1.00 0.00 N ATOM 0 H LYS A 6 4.978 -3.600 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 6 7.698 -4.623 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.733 -5.749 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.926 -4.312 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.640 -4.833 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.172 -3.405 -4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.692 -4.776 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.108 -6.245 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.839 -5.238 -6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.627 -3.965 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.199 -5.655 -5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.955 -5.681 -4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.238 -6.867 -5.036 1.00 0.00 H new ATOM 114 N THR A 7 8.624 -2.295 -1.240 1.00 0.00 N ATOM 115 CA THR A 7 9.358 -1.022 -1.351 1.00 0.00 C ATOM 116 C THR A 7 10.495 -0.999 -2.378 1.00 0.00 C ATOM 117 O THR A 7 11.028 -2.041 -2.766 1.00 0.00 O ATOM 118 CB THR A 7 9.782 -0.408 0.002 1.00 0.00 C ATOM 119 OG1 THR A 7 11.095 -0.789 0.343 1.00 0.00 O ATOM 120 CG2 THR A 7 8.882 -0.756 1.185 1.00 0.00 C ATOM 0 H THR A 7 8.963 -2.905 -0.496 1.00 0.00 H new ATOM 0 HA THR A 7 8.597 -0.359 -1.763 1.00 0.00 H new ATOM 0 HB THR A 7 9.701 0.666 -0.167 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.340 -0.386 1.202 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.265 -0.277 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.870 -0.403 0.988 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.868 -1.837 1.326 1.00 0.00 H new ATOM 128 N LEU A 8 10.902 0.211 -2.778 1.00 0.00 N ATOM 129 CA LEU A 8 12.107 0.470 -3.585 1.00 0.00 C ATOM 130 C LEU A 8 13.418 0.070 -2.869 1.00 0.00 C ATOM 131 O LEU A 8 14.445 -0.097 -3.526 1.00 0.00 O ATOM 132 CB LEU A 8 12.125 1.964 -3.964 1.00 0.00 C ATOM 133 CG LEU A 8 11.095 2.334 -5.050 1.00 0.00 C ATOM 134 CD1 LEU A 8 10.788 3.830 -5.004 1.00 0.00 C ATOM 135 CD2 LEU A 8 11.609 1.991 -6.449 1.00 0.00 C ATOM 0 H LEU A 8 10.391 1.062 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 8 12.059 -0.154 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.931 2.560 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.122 2.230 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 8 10.193 1.756 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.059 4.076 -5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.381 4.088 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.704 4.395 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.858 2.265 -7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.529 2.542 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.807 0.921 -6.512 1.00 0.00 H new ATOM 147 N THR A 9 13.383 -0.115 -1.546 1.00 0.00 N ATOM 148 CA THR A 9 14.448 -0.723 -0.729 1.00 0.00 C ATOM 149 C THR A 9 14.435 -2.256 -0.681 1.00 0.00 C ATOM 150 O THR A 9 15.158 -2.862 0.100 1.00 0.00 O ATOM 151 CB THR A 9 14.555 -0.115 0.687 1.00 0.00 C ATOM 152 OG1 THR A 9 13.882 1.119 0.790 1.00 0.00 O ATOM 153 CG2 THR A 9 16.004 0.121 1.111 1.00 0.00 C ATOM 0 H THR A 9 12.578 0.166 -0.987 1.00 0.00 H new ATOM 0 HA THR A 9 15.357 -0.458 -1.269 1.00 0.00 H new ATOM 0 HB THR A 9 14.090 -0.852 1.342 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.974 1.467 1.702 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.025 0.549 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.542 -0.827 1.110 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.480 0.809 0.412 1.00 0.00 H new ATOM 161 N GLY A 10 13.550 -2.901 -1.450 1.00 0.00 N ATOM 162 CA GLY A 10 13.385 -4.357 -1.487 1.00 0.00 C ATOM 163 C GLY A 10 12.630 -4.960 -0.292 1.00 0.00 C ATOM 164 O GLY A 10 12.277 -6.135 -0.353 1.00 0.00 O ATOM 0 H GLY A 10 12.913 -2.412 -2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.857 -4.624 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.371 -4.817 -1.543 1.00 0.00 H new ATOM 168 N LYS A 11 12.329 -4.185 0.760 1.00 0.00 N ATOM 169 CA LYS A 11 11.634 -4.675 1.961 1.00 0.00 C ATOM 170 C LYS A 11 10.200 -5.119 1.640 1.00 0.00 C ATOM 171 O LYS A 11 9.420 -4.360 1.064 1.00 0.00 O ATOM 172 CB LYS A 11 11.624 -3.612 3.080 1.00 0.00 C ATOM 173 CG LYS A 11 13.000 -3.233 3.655 1.00 0.00 C ATOM 174 CD LYS A 11 13.652 -4.288 4.574 1.00 0.00 C ATOM 175 CE LYS A 11 13.295 -4.170 6.069 1.00 0.00 C ATOM 176 NZ LYS A 11 11.993 -4.783 6.431 1.00 0.00 N ATOM 0 H LYS A 11 12.562 -3.193 0.802 1.00 0.00 H new ATOM 0 HA LYS A 11 12.189 -5.543 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.151 -2.709 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.998 -3.975 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.678 -3.031 2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.896 -2.304 4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.362 -5.279 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.735 -4.218 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.082 -4.641 6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.277 -3.116 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.900 -4.815 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.219 -4.215 6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.946 -5.749 6.049 1.00 0.00 H new ATOM 190 N THR A 12 9.852 -6.311 2.112 1.00 0.00 N ATOM 191 CA THR A 12 8.474 -6.798 2.278 1.00 0.00 C ATOM 192 C THR A 12 7.824 -6.270 3.559 1.00 0.00 C ATOM 193 O THR A 12 8.168 -6.696 4.659 1.00 0.00 O ATOM 194 CB THR A 12 8.412 -8.336 2.221 1.00 0.00 C ATOM 195 OG1 THR A 12 9.219 -8.808 1.166 1.00 0.00 O ATOM 196 CG2 THR A 12 6.991 -8.857 2.000 1.00 0.00 C ATOM 0 H THR A 12 10.547 -6.999 2.404 1.00 0.00 H new ATOM 0 HA THR A 12 7.899 -6.405 1.440 1.00 0.00 H new ATOM 0 HB THR A 12 8.768 -8.700 3.185 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.178 -9.787 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.004 -9.946 1.968 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.351 -8.526 2.818 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.604 -8.471 1.057 1.00 0.00 H new ATOM 204 N ILE A 13 6.923 -5.300 3.435 1.00 0.00 N ATOM 205 CA ILE A 13 6.138 -4.742 4.550 1.00 0.00 C ATOM 206 C ILE A 13 4.900 -5.620 4.791 1.00 0.00 C ATOM 207 O ILE A 13 4.314 -6.096 3.821 1.00 0.00 O ATOM 208 CB ILE A 13 5.717 -3.289 4.234 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.860 -2.417 3.661 1.00 0.00 C ATOM 210 CG2 ILE A 13 5.079 -2.623 5.466 1.00 0.00 C ATOM 211 CD1 ILE A 13 8.123 -2.337 4.530 1.00 0.00 C ATOM 0 H ILE A 13 6.708 -4.864 2.538 1.00 0.00 H new ATOM 0 HA ILE A 13 6.750 -4.731 5.452 1.00 0.00 H new ATOM 0 HB ILE A 13 4.972 -3.359 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.137 -2.808 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.481 -1.407 3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.791 -1.601 5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.196 -3.186 5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.798 -2.609 6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.862 -1.703 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.870 -1.914 5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.535 -3.337 4.665 1.00 0.00 H new ATOM 223 N THR A 14 4.478 -5.799 6.048 1.00 0.00 N ATOM 224 CA THR A 14 3.306 -6.617 6.440 1.00 0.00 C ATOM 225 C THR A 14 2.249 -5.873 7.256 1.00 0.00 C ATOM 226 O THR A 14 2.573 -5.218 8.249 1.00 0.00 O ATOM 227 CB THR A 14 3.710 -7.926 7.141 1.00 0.00 C ATOM 228 OG1 THR A 14 4.794 -8.537 6.478 1.00 0.00 O ATOM 229 CG2 THR A 14 2.567 -8.939 7.216 1.00 0.00 C ATOM 0 H THR A 14 4.948 -5.372 6.846 1.00 0.00 H new ATOM 0 HA THR A 14 2.832 -6.863 5.490 1.00 0.00 H new ATOM 0 HB THR A 14 3.989 -7.642 8.156 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.474 -8.975 5.662 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.913 -9.841 7.721 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.735 -8.508 7.773 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.237 -9.191 6.208 1.00 0.00 H new ATOM 237 N LEU A 15 0.976 -6.007 6.870 1.00 0.00 N ATOM 238 CA LEU A 15 -0.164 -5.310 7.471 1.00 0.00 C ATOM 239 C LEU A 15 -1.301 -6.281 7.785 1.00 0.00 C ATOM 240 O LEU A 15 -1.433 -7.332 7.163 1.00 0.00 O ATOM 241 CB LEU A 15 -0.672 -4.203 6.524 1.00 0.00 C ATOM 242 CG LEU A 15 0.353 -3.116 6.166 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.178 -2.257 5.016 1.00 0.00 C ATOM 244 CD2 LEU A 15 0.666 -2.204 7.352 1.00 0.00 C ATOM 0 H LEU A 15 0.703 -6.624 6.105 1.00 0.00 H new ATOM 0 HA LEU A 15 0.173 -4.861 8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.018 -4.669 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.537 -3.725 6.984 1.00 0.00 H new ATOM 0 HG LEU A 15 1.271 -3.627 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.554 -1.489 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.354 -2.886 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.113 -1.784 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.395 -1.452 7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.248 -1.711 7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.075 -2.798 8.170 1.00 0.00 H new ATOM 256 N GLU A 16 -2.155 -5.868 8.716 1.00 0.00 N ATOM 257 CA GLU A 16 -3.382 -6.561 9.106 1.00 0.00 C ATOM 258 C GLU A 16 -4.555 -5.568 9.027 1.00 0.00 C ATOM 259 O GLU A 16 -4.538 -4.522 9.671 1.00 0.00 O ATOM 260 CB GLU A 16 -3.211 -7.216 10.507 1.00 0.00 C ATOM 261 CG GLU A 16 -2.106 -8.287 10.523 1.00 0.00 C ATOM 262 CD GLU A 16 -2.035 -9.114 11.821 1.00 0.00 C ATOM 263 OE1 GLU A 16 -2.993 -9.863 12.110 1.00 0.00 O ATOM 264 OE2 GLU A 16 -0.981 -9.053 12.518 1.00 0.00 O ATOM 0 H GLU A 16 -2.007 -5.007 9.242 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.601 -7.381 8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.976 -6.444 11.240 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.155 -7.667 10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.263 -8.965 9.684 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.144 -7.800 10.364 1.00 0.00 H new ATOM 271 N VAL A 17 -5.538 -5.870 8.180 1.00 0.00 N ATOM 272 CA VAL A 17 -6.734 -5.065 7.858 1.00 0.00 C ATOM 273 C VAL A 17 -7.877 -6.014 7.453 1.00 0.00 C ATOM 274 O VAL A 17 -7.634 -7.193 7.217 1.00 0.00 O ATOM 275 CB VAL A 17 -6.473 -4.064 6.700 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.391 -3.045 7.022 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.109 -4.748 5.368 1.00 0.00 C ATOM 0 H VAL A 17 -5.526 -6.746 7.658 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.998 -4.487 8.743 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.428 -3.551 6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.257 -2.375 6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.685 -2.466 7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.454 -3.562 7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.940 -3.989 4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.203 -5.340 5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.926 -5.399 5.058 1.00 0.00 H new ATOM 287 N GLU A 18 -9.116 -5.538 7.323 1.00 0.00 N ATOM 288 CA GLU A 18 -10.238 -6.382 6.863 1.00 0.00 C ATOM 289 C GLU A 18 -10.684 -6.076 5.422 1.00 0.00 C ATOM 290 O GLU A 18 -10.627 -4.913 5.019 1.00 0.00 O ATOM 291 CB GLU A 18 -11.425 -6.278 7.843 1.00 0.00 C ATOM 292 CG GLU A 18 -11.263 -7.045 9.161 1.00 0.00 C ATOM 293 CD GLU A 18 -10.022 -7.930 9.300 1.00 0.00 C ATOM 294 OE1 GLU A 18 -9.997 -9.035 8.708 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.051 -7.603 10.016 1.00 0.00 O ATOM 0 H GLU A 18 -9.376 -4.573 7.528 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.871 -7.408 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.592 -5.226 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.322 -6.640 7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.256 -6.321 9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.144 -7.672 9.299 1.00 0.00 H new ATOM 302 N PRO A 19 -11.175 -7.068 4.640 1.00 0.00 N ATOM 303 CA PRO A 19 -11.580 -6.867 3.243 1.00 0.00 C ATOM 304 C PRO A 19 -12.763 -5.884 3.049 1.00 0.00 C ATOM 305 O PRO A 19 -12.967 -5.400 1.934 1.00 0.00 O ATOM 306 CB PRO A 19 -11.945 -8.274 2.744 1.00 0.00 C ATOM 307 CG PRO A 19 -12.406 -9.000 4.001 1.00 0.00 C ATOM 308 CD PRO A 19 -11.472 -8.431 5.068 1.00 0.00 C ATOM 0 HA PRO A 19 -10.770 -6.400 2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.733 -8.239 1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.089 -8.770 2.287 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.453 -8.797 4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.304 -10.081 3.906 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.946 -8.440 6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.561 -9.024 5.149 1.00 0.00 H new ATOM 316 N SER A 20 -13.492 -5.584 4.130 1.00 0.00 N ATOM 317 CA SER A 20 -14.547 -4.580 4.187 1.00 0.00 C ATOM 318 C SER A 20 -14.042 -3.134 4.377 1.00 0.00 C ATOM 319 O SER A 20 -14.868 -2.224 4.317 1.00 0.00 O ATOM 320 CB SER A 20 -15.521 -4.970 5.305 1.00 0.00 C ATOM 321 OG SER A 20 -16.671 -4.139 5.303 1.00 0.00 O ATOM 0 H SER A 20 -13.353 -6.057 5.023 1.00 0.00 H new ATOM 0 HA SER A 20 -15.043 -4.572 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.822 -6.010 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.019 -4.896 6.269 1.00 0.00 H new ATOM 0 HG SER A 20 -16.436 -3.257 4.947 1.00 0.00 H new ATOM 327 N ASP A 21 -12.746 -2.899 4.621 1.00 0.00 N ATOM 328 CA ASP A 21 -12.175 -1.553 4.706 1.00 0.00 C ATOM 329 C ASP A 21 -12.132 -0.761 3.389 1.00 0.00 C ATOM 330 O ASP A 21 -11.833 -1.292 2.312 1.00 0.00 O ATOM 331 CB ASP A 21 -10.836 -1.510 5.480 1.00 0.00 C ATOM 332 CG ASP A 21 -10.939 -1.496 7.016 1.00 0.00 C ATOM 333 OD1 ASP A 21 -12.055 -1.401 7.578 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.873 -1.507 7.679 1.00 0.00 O ATOM 0 H ASP A 21 -12.063 -3.643 4.765 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.904 -1.008 5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.241 -2.374 5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.287 -0.623 5.165 1.00 0.00 H new ATOM 339 N THR A 22 -12.384 0.544 3.494 1.00 0.00 N ATOM 340 CA THR A 22 -12.170 1.514 2.420 1.00 0.00 C ATOM 341 C THR A 22 -10.699 1.873 2.210 1.00 0.00 C ATOM 342 O THR A 22 -9.865 1.770 3.114 1.00 0.00 O ATOM 343 CB THR A 22 -13.045 2.766 2.560 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.547 3.585 3.584 1.00 0.00 O ATOM 345 CG2 THR A 22 -14.513 2.474 2.872 1.00 0.00 C ATOM 0 H THR A 22 -12.751 0.965 4.347 1.00 0.00 H new ATOM 0 HA THR A 22 -12.494 1.003 1.513 1.00 0.00 H new ATOM 0 HB THR A 22 -13.005 3.255 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.029 4.438 3.584 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.061 3.413 2.955 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.943 1.872 2.071 1.00 0.00 H new ATOM 0 HG23 THR A 22 -14.583 1.929 3.813 1.00 0.00 H new ATOM 353 N ILE A 23 -10.361 2.298 0.990 1.00 0.00 N ATOM 354 CA ILE A 23 -8.984 2.587 0.576 1.00 0.00 C ATOM 355 C ILE A 23 -8.349 3.694 1.443 1.00 0.00 C ATOM 356 O ILE A 23 -7.202 3.545 1.871 1.00 0.00 O ATOM 357 CB ILE A 23 -8.959 2.894 -0.945 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.314 1.670 -1.824 1.00 0.00 C ATOM 359 CG2 ILE A 23 -7.598 3.456 -1.395 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.409 0.437 -1.693 1.00 0.00 C ATOM 0 H ILE A 23 -11.046 2.454 0.250 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.359 1.709 0.742 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.732 3.649 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.335 1.368 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.307 1.987 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.624 3.657 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.390 4.381 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.815 2.728 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.765 -0.348 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.387 0.705 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.431 0.077 -0.664 1.00 0.00 H new ATOM 372 N GLU A 24 -9.082 4.758 1.790 1.00 0.00 N ATOM 373 CA GLU A 24 -8.622 5.806 2.716 1.00 0.00 C ATOM 374 C GLU A 24 -8.327 5.278 4.127 1.00 0.00 C ATOM 375 O GLU A 24 -7.361 5.715 4.751 1.00 0.00 O ATOM 376 CB GLU A 24 -9.587 7.011 2.789 1.00 0.00 C ATOM 377 CG GLU A 24 -11.030 6.784 3.276 1.00 0.00 C ATOM 378 CD GLU A 24 -11.987 6.154 2.251 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.552 5.747 1.150 1.00 0.00 O ATOM 380 OE2 GLU A 24 -13.181 5.999 2.605 1.00 0.00 O ATOM 0 H GLU A 24 -10.024 4.920 1.433 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.681 6.155 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.133 7.757 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.641 7.450 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.000 6.145 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.443 7.742 3.590 1.00 0.00 H new ATOM 387 N ASN A 25 -9.093 4.297 4.611 1.00 0.00 N ATOM 388 CA ASN A 25 -8.899 3.713 5.938 1.00 0.00 C ATOM 389 C ASN A 25 -7.560 2.939 5.988 1.00 0.00 C ATOM 390 O ASN A 25 -6.765 3.108 6.916 1.00 0.00 O ATOM 391 CB ASN A 25 -10.132 2.835 6.237 1.00 0.00 C ATOM 392 CG ASN A 25 -10.396 2.719 7.723 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.516 2.384 8.497 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.601 2.954 8.186 1.00 0.00 N ATOM 0 H ASN A 25 -9.868 3.885 4.091 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.823 4.476 6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.007 3.259 5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.980 1.841 5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.792 2.856 9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.346 3.235 7.549 1.00 0.00 H new ATOM 401 N VAL A 26 -7.221 2.198 4.923 1.00 0.00 N ATOM 402 CA VAL A 26 -5.887 1.584 4.746 1.00 0.00 C ATOM 403 C VAL A 26 -4.754 2.606 4.556 1.00 0.00 C ATOM 404 O VAL A 26 -3.701 2.463 5.185 1.00 0.00 O ATOM 405 CB VAL A 26 -5.892 0.556 3.603 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.587 -0.252 3.552 1.00 0.00 C ATOM 407 CG2 VAL A 26 -7.050 -0.444 3.734 1.00 0.00 C ATOM 0 H VAL A 26 -7.863 2.004 4.155 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.676 1.069 5.683 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.006 1.140 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.633 -0.966 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.746 0.424 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.454 -0.788 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.015 -1.152 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.960 -0.984 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.998 0.093 3.713 1.00 0.00 H new ATOM 417 N LYS A 27 -4.975 3.677 3.769 1.00 0.00 N ATOM 418 CA LYS A 27 -4.045 4.820 3.682 1.00 0.00 C ATOM 419 C LYS A 27 -3.730 5.475 5.026 1.00 0.00 C ATOM 420 O LYS A 27 -2.664 6.064 5.137 1.00 0.00 O ATOM 421 CB LYS A 27 -4.536 5.928 2.713 1.00 0.00 C ATOM 422 CG LYS A 27 -4.044 5.880 1.254 1.00 0.00 C ATOM 423 CD LYS A 27 -4.927 5.021 0.350 1.00 0.00 C ATOM 424 CE LYS A 27 -4.613 5.190 -1.139 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.332 6.341 -1.761 1.00 0.00 N ATOM 0 H LYS A 27 -5.800 3.774 3.178 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.133 4.366 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.626 5.901 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.246 6.891 3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.006 6.894 0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.026 5.491 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.805 3.973 0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.972 5.276 0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.539 5.329 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.880 4.274 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.406 6.190 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.285 6.417 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.806 7.219 -1.577 1.00 0.00 H new ATOM 439 N ALA A 28 -4.610 5.374 6.014 1.00 0.00 N ATOM 440 CA ALA A 28 -4.372 5.895 7.361 1.00 0.00 C ATOM 441 C ALA A 28 -3.627 4.876 8.245 1.00 0.00 C ATOM 442 O ALA A 28 -2.567 5.184 8.796 1.00 0.00 O ATOM 443 CB ALA A 28 -5.712 6.319 7.975 1.00 0.00 C ATOM 0 H ALA A 28 -5.519 4.924 5.905 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.721 6.767 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.545 6.709 8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.167 7.093 7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.378 5.457 8.026 1.00 0.00 H new ATOM 449 N LYS A 29 -4.130 3.631 8.346 1.00 0.00 N ATOM 450 CA LYS A 29 -3.518 2.570 9.182 1.00 0.00 C ATOM 451 C LYS A 29 -2.040 2.331 8.862 1.00 0.00 C ATOM 452 O LYS A 29 -1.269 2.040 9.770 1.00 0.00 O ATOM 453 CB LYS A 29 -4.311 1.253 9.039 1.00 0.00 C ATOM 454 CG LYS A 29 -5.695 1.250 9.712 1.00 0.00 C ATOM 455 CD LYS A 29 -6.332 -0.153 9.633 1.00 0.00 C ATOM 456 CE LYS A 29 -7.626 -0.277 10.453 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.842 0.043 9.673 1.00 0.00 N ATOM 0 H LYS A 29 -4.970 3.329 7.853 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.565 2.920 10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.439 1.037 7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.717 0.442 9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.600 1.554 10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.344 1.978 9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.546 -0.390 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.613 -0.892 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.707 -1.293 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.568 0.389 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.683 -0.091 10.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.799 1.032 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.900 -0.586 8.847 1.00 0.00 H new ATOM 471 N ILE A 30 -1.611 2.477 7.603 1.00 0.00 N ATOM 472 CA ILE A 30 -0.212 2.215 7.210 1.00 0.00 C ATOM 473 C ILE A 30 0.811 3.158 7.878 1.00 0.00 C ATOM 474 O ILE A 30 1.947 2.737 8.114 1.00 0.00 O ATOM 475 CB ILE A 30 -0.081 2.265 5.673 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.200 1.530 5.230 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.130 3.694 5.119 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.333 1.377 3.708 1.00 0.00 C ATOM 0 H ILE A 30 -2.210 2.776 6.834 1.00 0.00 H new ATOM 0 HA ILE A 30 0.031 1.216 7.571 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.946 1.753 5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.067 2.071 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.217 0.541 5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.033 3.667 4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.080 4.156 5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.689 4.276 5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.258 0.851 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.486 0.809 3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.349 2.363 3.243 1.00 0.00 H new ATOM 490 N GLN A 31 0.437 4.395 8.242 1.00 0.00 N ATOM 491 CA GLN A 31 1.371 5.313 8.911 1.00 0.00 C ATOM 492 C GLN A 31 1.645 4.833 10.334 1.00 0.00 C ATOM 493 O GLN A 31 2.788 4.736 10.764 1.00 0.00 O ATOM 494 CB GLN A 31 0.836 6.756 8.924 1.00 0.00 C ATOM 495 CG GLN A 31 1.140 7.551 7.645 1.00 0.00 C ATOM 496 CD GLN A 31 -0.068 7.674 6.728 1.00 0.00 C ATOM 497 OE1 GLN A 31 -1.020 8.379 7.016 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.088 6.991 5.610 1.00 0.00 N ATOM 0 H GLN A 31 -0.495 4.779 8.086 1.00 0.00 H new ATOM 0 HA GLN A 31 2.304 5.314 8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.243 6.730 9.075 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.264 7.283 9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.488 8.548 7.916 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.953 7.065 7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.704 6.398 5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.895 7.052 4.989 1.00 0.00 H new ATOM 507 N ASP A 32 0.581 4.450 11.025 1.00 0.00 N ATOM 508 CA ASP A 32 0.591 3.961 12.397 1.00 0.00 C ATOM 509 C ASP A 32 1.018 2.489 12.605 1.00 0.00 C ATOM 510 O ASP A 32 1.098 2.012 13.741 1.00 0.00 O ATOM 511 CB ASP A 32 -0.719 4.406 13.055 1.00 0.00 C ATOM 512 CG ASP A 32 -0.689 5.824 13.674 1.00 0.00 C ATOM 513 OD1 ASP A 32 0.383 6.468 13.791 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.782 6.323 14.025 1.00 0.00 O ATOM 0 H ASP A 32 -0.357 4.473 10.626 1.00 0.00 H new ATOM 0 HA ASP A 32 1.421 4.422 12.932 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.514 4.367 12.310 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.978 3.690 13.835 1.00 0.00 H new ATOM 519 N LYS A 33 1.360 1.781 11.513 1.00 0.00 N ATOM 520 CA LYS A 33 1.881 0.396 11.508 1.00 0.00 C ATOM 521 C LYS A 33 3.343 0.308 11.043 1.00 0.00 C ATOM 522 O LYS A 33 4.119 -0.427 11.643 1.00 0.00 O ATOM 523 CB LYS A 33 0.963 -0.500 10.649 1.00 0.00 C ATOM 524 CG LYS A 33 0.615 -1.861 11.283 1.00 0.00 C ATOM 525 CD LYS A 33 1.785 -2.837 11.451 1.00 0.00 C ATOM 526 CE LYS A 33 1.246 -4.167 12.000 1.00 0.00 C ATOM 527 NZ LYS A 33 2.304 -5.198 12.091 1.00 0.00 N ATOM 0 H LYS A 33 1.279 2.170 10.573 1.00 0.00 H new ATOM 0 HA LYS A 33 1.875 0.037 12.537 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.037 0.039 10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.446 -0.675 9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.172 -1.682 12.263 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.149 -2.341 10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.283 -2.998 10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.528 -2.421 12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.813 -4.003 12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.444 -4.527 11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.899 -6.079 12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.700 -5.374 11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.058 -4.866 12.726 1.00 0.00 H new ATOM 541 N GLU A 34 3.742 1.041 9.994 1.00 0.00 N ATOM 542 CA GLU A 34 5.119 1.007 9.451 1.00 0.00 C ATOM 543 C GLU A 34 5.606 2.380 8.906 1.00 0.00 C ATOM 544 O GLU A 34 6.594 2.474 8.172 1.00 0.00 O ATOM 545 CB GLU A 34 5.229 -0.118 8.398 1.00 0.00 C ATOM 546 CG GLU A 34 6.679 -0.539 8.046 1.00 0.00 C ATOM 547 CD GLU A 34 7.143 -1.931 8.532 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.436 -2.598 9.323 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.250 -2.354 8.122 1.00 0.00 O ATOM 0 H GLU A 34 3.122 1.677 9.493 1.00 0.00 H new ATOM 0 HA GLU A 34 5.796 0.787 10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.690 -0.992 8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.728 0.207 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.788 -0.505 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.358 0.207 8.458 1.00 0.00 H new ATOM 556 N GLY A 35 4.915 3.480 9.228 1.00 0.00 N ATOM 557 CA GLY A 35 5.419 4.838 8.980 1.00 0.00 C ATOM 558 C GLY A 35 5.513 5.256 7.510 1.00 0.00 C ATOM 559 O GLY A 35 6.469 5.938 7.149 1.00 0.00 O ATOM 0 H GLY A 35 3.994 3.455 9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.772 5.546 9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.409 4.925 9.427 1.00 0.00 H new ATOM 563 N ILE A 36 4.568 4.851 6.646 1.00 0.00 N ATOM 564 CA ILE A 36 4.593 5.177 5.200 1.00 0.00 C ATOM 565 C ILE A 36 3.586 6.314 4.873 1.00 0.00 C ATOM 566 O ILE A 36 2.405 6.017 4.682 1.00 0.00 O ATOM 567 CB ILE A 36 4.361 3.869 4.392 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.475 2.831 4.687 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.279 4.093 2.873 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.215 1.416 4.156 1.00 0.00 C ATOM 0 H ILE A 36 3.764 4.289 6.924 1.00 0.00 H new ATOM 0 HA ILE A 36 5.566 5.571 4.907 1.00 0.00 H new ATOM 0 HB ILE A 36 3.393 3.491 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.409 3.195 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.619 2.775 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.116 3.138 2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.451 4.766 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.211 4.534 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.054 0.770 4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.302 1.022 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.105 1.449 3.072 1.00 0.00 H new ATOM 582 N PRO A 37 3.973 7.613 4.868 1.00 0.00 N ATOM 583 CA PRO A 37 3.063 8.750 4.645 1.00 0.00 C ATOM 584 C PRO A 37 2.871 9.124 3.158 1.00 0.00 C ATOM 585 O PRO A 37 3.802 8.959 2.367 1.00 0.00 O ATOM 586 CB PRO A 37 3.705 9.915 5.406 1.00 0.00 C ATOM 587 CG PRO A 37 5.195 9.647 5.216 1.00 0.00 C ATOM 588 CD PRO A 37 5.269 8.123 5.298 1.00 0.00 C ATOM 0 HA PRO A 37 2.061 8.497 4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.410 10.881 4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.423 9.917 6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.556 10.020 4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.795 10.125 5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.066 7.740 4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.493 7.801 6.315 1.00 0.00 H new ATOM 596 N PRO A 38 1.726 9.723 2.767 1.00 0.00 N ATOM 597 CA PRO A 38 1.434 10.070 1.369 1.00 0.00 C ATOM 598 C PRO A 38 2.385 11.124 0.777 1.00 0.00 C ATOM 599 O PRO A 38 2.749 11.054 -0.394 1.00 0.00 O ATOM 600 CB PRO A 38 -0.016 10.571 1.375 1.00 0.00 C ATOM 601 CG PRO A 38 -0.201 11.114 2.792 1.00 0.00 C ATOM 602 CD PRO A 38 0.627 10.140 3.628 1.00 0.00 C ATOM 0 HA PRO A 38 1.578 9.199 0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.176 11.345 0.625 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.719 9.767 1.158 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.161 12.138 2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.249 11.118 3.092 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.998 10.618 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.028 9.285 3.942 1.00 0.00 H new ATOM 610 N ASP A 39 2.871 12.067 1.592 1.00 0.00 N ATOM 611 CA ASP A 39 3.860 13.064 1.176 1.00 0.00 C ATOM 612 C ASP A 39 5.276 12.567 0.809 1.00 0.00 C ATOM 613 O ASP A 39 6.146 13.370 0.466 1.00 0.00 O ATOM 614 CB ASP A 39 3.794 14.342 2.024 1.00 0.00 C ATOM 615 CG ASP A 39 2.675 15.285 1.557 1.00 0.00 C ATOM 616 OD1 ASP A 39 1.477 14.976 1.729 1.00 0.00 O ATOM 617 OD2 ASP A 39 3.022 16.325 0.941 1.00 0.00 O ATOM 0 H ASP A 39 2.586 12.159 2.567 1.00 0.00 H new ATOM 0 HA ASP A 39 3.529 13.348 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.632 14.076 3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.751 14.861 1.972 1.00 0.00 H new ATOM 622 N GLN A 40 5.499 11.250 0.804 1.00 0.00 N ATOM 623 CA GLN A 40 6.799 10.633 0.516 1.00 0.00 C ATOM 624 C GLN A 40 6.731 9.584 -0.613 1.00 0.00 C ATOM 625 O GLN A 40 7.744 9.322 -1.261 1.00 0.00 O ATOM 626 CB GLN A 40 7.342 10.108 1.858 1.00 0.00 C ATOM 627 CG GLN A 40 8.838 9.742 1.862 1.00 0.00 C ATOM 628 CD GLN A 40 9.137 8.309 1.446 1.00 0.00 C ATOM 629 OE1 GLN A 40 8.276 7.449 1.347 1.00 0.00 O ATOM 630 NE2 GLN A 40 10.382 7.985 1.206 1.00 0.00 N ATOM 0 H GLN A 40 4.767 10.568 1.004 1.00 0.00 H new ATOM 0 HA GLN A 40 7.500 11.362 0.108 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.167 10.864 2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.768 9.227 2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.367 10.420 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.237 9.908 2.863 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.116 8.689 1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.618 7.029 0.942 1.00 0.00 H new ATOM 639 N ASN A 41 5.560 9.013 -0.918 1.00 0.00 N ATOM 640 CA ASN A 41 5.422 7.812 -1.760 1.00 0.00 C ATOM 641 C ASN A 41 3.993 7.656 -2.359 1.00 0.00 C ATOM 642 O ASN A 41 3.128 8.495 -2.110 1.00 0.00 O ATOM 643 CB ASN A 41 5.800 6.619 -0.859 1.00 0.00 C ATOM 644 CG ASN A 41 4.942 6.552 0.385 1.00 0.00 C ATOM 645 OD1 ASN A 41 3.766 6.234 0.332 1.00 0.00 O ATOM 646 ND2 ASN A 41 5.511 6.850 1.524 1.00 0.00 N ATOM 0 H ASN A 41 4.667 9.375 -0.584 1.00 0.00 H new ATOM 0 HA ASN A 41 6.075 7.878 -2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.694 5.692 -1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.848 6.700 -0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.970 6.819 2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.496 7.114 1.548 1.00 0.00 H new ATOM 653 N ARG A 42 3.727 6.602 -3.156 1.00 0.00 N ATOM 654 CA ARG A 42 2.382 6.233 -3.661 1.00 0.00 C ATOM 655 C ARG A 42 2.219 4.715 -3.836 1.00 0.00 C ATOM 656 O ARG A 42 3.026 4.084 -4.518 1.00 0.00 O ATOM 657 CB ARG A 42 2.064 6.941 -4.991 1.00 0.00 C ATOM 658 CG ARG A 42 1.654 8.423 -4.864 1.00 0.00 C ATOM 659 CD ARG A 42 1.010 8.885 -6.181 1.00 0.00 C ATOM 660 NE ARG A 42 0.524 10.278 -6.135 1.00 0.00 N ATOM 661 CZ ARG A 42 0.250 11.035 -7.185 1.00 0.00 C ATOM 662 NH1 ARG A 42 0.302 10.577 -8.406 1.00 0.00 N ATOM 663 NH2 ARG A 42 -0.092 12.277 -7.018 1.00 0.00 N ATOM 0 H ARG A 42 4.457 5.966 -3.476 1.00 0.00 H new ATOM 0 HA ARG A 42 1.674 6.566 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.940 6.877 -5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.260 6.399 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.953 8.549 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.527 9.036 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.737 8.787 -6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.177 8.224 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 42 0.387 10.693 -5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.561 9.605 -8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.084 11.191 -9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.149 12.668 -6.078 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.303 12.861 -7.827 1.00 0.00 H new ATOM 677 N LEU A 43 1.171 4.134 -3.247 1.00 0.00 N ATOM 678 CA LEU A 43 0.863 2.698 -3.345 1.00 0.00 C ATOM 679 C LEU A 43 0.349 2.338 -4.750 1.00 0.00 C ATOM 680 O LEU A 43 -0.665 2.886 -5.192 1.00 0.00 O ATOM 681 CB LEU A 43 -0.196 2.323 -2.285 1.00 0.00 C ATOM 682 CG LEU A 43 0.306 1.949 -0.879 1.00 0.00 C ATOM 683 CD1 LEU A 43 1.139 0.667 -0.906 1.00 0.00 C ATOM 684 CD2 LEU A 43 1.110 3.062 -0.206 1.00 0.00 C ATOM 0 H LEU A 43 0.500 4.652 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 43 1.778 2.135 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.883 3.163 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.774 1.483 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.594 1.789 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.478 0.432 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.531 -0.154 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.003 0.808 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.433 2.732 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.984 3.298 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.487 3.951 -0.105 1.00 0.00 H new ATOM 696 N ILE A 44 0.994 1.361 -5.398 1.00 0.00 N ATOM 697 CA ILE A 44 0.534 0.787 -6.688 1.00 0.00 C ATOM 698 C ILE A 44 0.046 -0.665 -6.530 1.00 0.00 C ATOM 699 O ILE A 44 0.608 -1.438 -5.757 1.00 0.00 O ATOM 700 CB ILE A 44 1.647 0.892 -7.762 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.238 2.313 -7.891 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.178 0.405 -9.147 1.00 0.00 C ATOM 703 CD1 ILE A 44 1.248 3.427 -8.271 1.00 0.00 C ATOM 0 H ILE A 44 1.854 0.938 -5.049 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.321 1.375 -7.023 1.00 0.00 H new ATOM 0 HB ILE A 44 2.436 0.230 -7.405 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.704 2.578 -6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.030 2.288 -8.639 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.995 0.500 -9.862 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.873 -0.639 -9.081 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.334 1.010 -9.479 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.777 4.378 -8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.798 3.200 -9.237 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.467 3.494 -7.514 1.00 0.00 H new ATOM 715 N PHE A 45 -0.951 -1.094 -7.305 1.00 0.00 N ATOM 716 CA PHE A 45 -1.357 -2.501 -7.400 1.00 0.00 C ATOM 717 C PHE A 45 -1.653 -2.991 -8.826 1.00 0.00 C ATOM 718 O PHE A 45 -2.560 -2.487 -9.483 1.00 0.00 O ATOM 719 CB PHE A 45 -2.418 -2.835 -6.339 1.00 0.00 C ATOM 720 CG PHE A 45 -3.125 -4.171 -6.477 1.00 0.00 C ATOM 721 CD1 PHE A 45 -4.289 -4.285 -7.258 1.00 0.00 C ATOM 722 CD2 PHE A 45 -2.649 -5.293 -5.769 1.00 0.00 C ATOM 723 CE1 PHE A 45 -4.978 -5.511 -7.323 1.00 0.00 C ATOM 724 CE2 PHE A 45 -3.344 -6.515 -5.830 1.00 0.00 C ATOM 725 CZ PHE A 45 -4.514 -6.623 -6.603 1.00 0.00 C ATOM 0 H PHE A 45 -1.506 -0.470 -7.891 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.486 -3.108 -7.151 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.941 -2.802 -5.359 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.172 -2.048 -6.353 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.655 -3.431 -7.809 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.748 -5.215 -5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.868 -5.596 -7.930 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.978 -7.371 -5.282 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.053 -7.558 -6.642 1.00 0.00 H new ATOM 735 N ALA A 46 -0.846 -3.937 -9.330 1.00 0.00 N ATOM 736 CA ALA A 46 -0.908 -4.458 -10.705 1.00 0.00 C ATOM 737 C ALA A 46 -0.999 -3.342 -11.779 1.00 0.00 C ATOM 738 O ALA A 46 -1.874 -3.350 -12.644 1.00 0.00 O ATOM 739 CB ALA A 46 -2.017 -5.517 -10.792 1.00 0.00 C ATOM 0 H ALA A 46 -0.110 -4.374 -8.776 1.00 0.00 H new ATOM 0 HA ALA A 46 0.036 -4.949 -10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.068 -5.907 -11.808 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.798 -6.331 -10.101 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.973 -5.065 -10.528 1.00 0.00 H new ATOM 745 N GLY A 47 -0.129 -2.329 -11.672 1.00 0.00 N ATOM 746 CA GLY A 47 -0.099 -1.148 -12.542 1.00 0.00 C ATOM 747 C GLY A 47 -1.134 -0.054 -12.229 1.00 0.00 C ATOM 748 O GLY A 47 -0.845 1.120 -12.466 1.00 0.00 O ATOM 0 H GLY A 47 0.596 -2.309 -10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.896 -0.706 -12.487 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.246 -1.476 -13.571 1.00 0.00 H new ATOM 752 N LYS A 48 -2.304 -0.379 -11.656 1.00 0.00 N ATOM 753 CA LYS A 48 -3.299 0.631 -11.245 1.00 0.00 C ATOM 754 C LYS A 48 -2.913 1.354 -9.945 1.00 0.00 C ATOM 755 O LYS A 48 -2.415 0.762 -8.987 1.00 0.00 O ATOM 756 CB LYS A 48 -4.738 0.052 -11.217 1.00 0.00 C ATOM 757 CG LYS A 48 -5.436 0.249 -12.579 1.00 0.00 C ATOM 758 CD LYS A 48 -6.941 -0.083 -12.596 1.00 0.00 C ATOM 759 CE LYS A 48 -7.547 0.468 -13.901 1.00 0.00 C ATOM 760 NZ LYS A 48 -9.012 0.254 -14.025 1.00 0.00 N ATOM 0 H LYS A 48 -2.588 -1.340 -11.465 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.296 1.403 -12.015 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.703 -1.009 -10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.316 0.541 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.305 1.285 -12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.934 -0.373 -13.320 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.092 -1.161 -12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.437 0.359 -11.732 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.340 1.536 -13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.048 -0.003 -14.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.346 0.651 -14.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.217 -0.765 -13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.500 0.726 -13.237 1.00 0.00 H new ATOM 774 N GLN A 49 -3.167 2.660 -9.915 1.00 0.00 N ATOM 775 CA GLN A 49 -3.068 3.508 -8.719 1.00 0.00 C ATOM 776 C GLN A 49 -4.335 3.325 -7.851 1.00 0.00 C ATOM 777 O GLN A 49 -5.426 3.068 -8.373 1.00 0.00 O ATOM 778 CB GLN A 49 -2.848 4.965 -9.183 1.00 0.00 C ATOM 779 CG GLN A 49 -2.602 5.991 -8.064 1.00 0.00 C ATOM 780 CD GLN A 49 -2.104 7.340 -8.613 1.00 0.00 C ATOM 781 OE1 GLN A 49 -0.926 7.679 -8.555 1.00 0.00 O ATOM 782 NE2 GLN A 49 -2.929 8.081 -9.320 1.00 0.00 N ATOM 0 H GLN A 49 -3.456 3.178 -10.745 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.223 3.227 -8.091 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.997 4.986 -9.863 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.721 5.281 -9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.525 6.146 -7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.869 5.593 -7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.914 7.825 -9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.584 8.912 -9.801 1.00 0.00 H new ATOM 791 N LEU A 50 -4.191 3.452 -6.526 1.00 0.00 N ATOM 792 CA LEU A 50 -5.247 3.182 -5.546 1.00 0.00 C ATOM 793 C LEU A 50 -5.819 4.483 -4.976 1.00 0.00 C ATOM 794 O LEU A 50 -5.117 5.229 -4.290 1.00 0.00 O ATOM 795 CB LEU A 50 -4.742 2.232 -4.448 1.00 0.00 C ATOM 796 CG LEU A 50 -4.293 0.848 -4.965 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.901 -0.011 -3.767 1.00 0.00 C ATOM 798 CD2 LEU A 50 -5.404 0.110 -5.715 1.00 0.00 C ATOM 0 H LEU A 50 -3.316 3.753 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.068 2.676 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.906 2.703 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.533 2.093 -3.711 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.463 1.011 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.581 -0.994 -4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.084 0.468 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.758 -0.122 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.033 -0.857 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.254 -0.042 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.718 0.702 -6.575 1.00 0.00 H new ATOM 810 N GLU A 51 -7.096 4.744 -5.241 1.00 0.00 N ATOM 811 CA GLU A 51 -7.777 6.001 -4.926 1.00 0.00 C ATOM 812 C GLU A 51 -8.951 5.794 -3.946 1.00 0.00 C ATOM 813 O GLU A 51 -9.558 4.726 -3.872 1.00 0.00 O ATOM 814 CB GLU A 51 -8.194 6.663 -6.251 1.00 0.00 C ATOM 815 CG GLU A 51 -7.530 8.044 -6.387 1.00 0.00 C ATOM 816 CD GLU A 51 -7.802 8.784 -7.712 1.00 0.00 C ATOM 817 OE1 GLU A 51 -8.424 8.211 -8.638 1.00 0.00 O ATOM 818 OE2 GLU A 51 -7.367 9.955 -7.826 1.00 0.00 O ATOM 0 H GLU A 51 -7.707 4.066 -5.696 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.100 6.673 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.906 6.029 -7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.278 6.767 -6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.868 8.673 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.453 7.923 -6.273 1.00 0.00 H new ATOM 825 N ASP A 52 -9.220 6.806 -3.126 1.00 0.00 N ATOM 826 CA ASP A 52 -10.176 6.776 -2.022 1.00 0.00 C ATOM 827 C ASP A 52 -11.678 6.782 -2.368 1.00 0.00 C ATOM 828 O ASP A 52 -12.102 7.147 -3.468 1.00 0.00 O ATOM 829 CB ASP A 52 -9.748 7.764 -0.920 1.00 0.00 C ATOM 830 CG ASP A 52 -9.007 9.022 -1.398 1.00 0.00 C ATOM 831 OD1 ASP A 52 -7.849 8.868 -1.870 1.00 0.00 O ATOM 832 OD2 ASP A 52 -9.550 10.139 -1.219 1.00 0.00 O ATOM 0 H ASP A 52 -8.757 7.710 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.112 5.765 -1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.638 8.076 -0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.108 7.235 -0.213 1.00 0.00 H new ATOM 837 N GLY A 53 -12.492 6.327 -1.410 1.00 0.00 N ATOM 838 CA GLY A 53 -13.943 6.187 -1.500 1.00 0.00 C ATOM 839 C GLY A 53 -14.452 4.801 -1.916 1.00 0.00 C ATOM 840 O GLY A 53 -15.640 4.524 -1.724 1.00 0.00 O ATOM 0 H GLY A 53 -12.133 6.031 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.375 6.437 -0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.317 6.921 -2.214 1.00 0.00 H new ATOM 844 N ARG A 54 -13.590 3.920 -2.453 1.00 0.00 N ATOM 845 CA ARG A 54 -13.897 2.496 -2.721 1.00 0.00 C ATOM 846 C ARG A 54 -13.277 1.547 -1.682 1.00 0.00 C ATOM 847 O ARG A 54 -12.599 1.993 -0.761 1.00 0.00 O ATOM 848 CB ARG A 54 -13.487 2.134 -4.160 1.00 0.00 C ATOM 849 CG ARG A 54 -14.190 3.015 -5.209 1.00 0.00 C ATOM 850 CD ARG A 54 -14.249 2.278 -6.549 1.00 0.00 C ATOM 851 NE ARG A 54 -14.820 3.110 -7.626 1.00 0.00 N ATOM 852 CZ ARG A 54 -14.439 3.142 -8.888 1.00 0.00 C ATOM 853 NH1 ARG A 54 -13.480 2.399 -9.362 1.00 0.00 N ATOM 854 NH2 ARG A 54 -15.058 3.935 -9.708 1.00 0.00 N ATOM 0 H ARG A 54 -12.640 4.179 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.974 2.362 -2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.407 2.240 -4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.724 1.087 -4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.198 3.261 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.654 3.957 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.244 1.963 -6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.847 1.374 -6.437 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.591 3.725 -7.367 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.984 1.753 -8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.225 2.463 -10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.824 4.519 -9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.778 3.974 -10.688 1.00 0.00 H new ATOM 868 N THR A 55 -13.505 0.238 -1.820 1.00 0.00 N ATOM 869 CA THR A 55 -12.938 -0.837 -0.973 1.00 0.00 C ATOM 870 C THR A 55 -11.782 -1.637 -1.583 1.00 0.00 C ATOM 871 O THR A 55 -11.581 -1.634 -2.799 1.00 0.00 O ATOM 872 CB THR A 55 -14.007 -1.773 -0.371 1.00 0.00 C ATOM 873 OG1 THR A 55 -14.260 -2.848 -1.249 1.00 0.00 O ATOM 874 CG2 THR A 55 -15.353 -1.110 -0.068 1.00 0.00 C ATOM 0 H THR A 55 -14.114 -0.126 -2.553 1.00 0.00 H new ATOM 0 HA THR A 55 -12.487 -0.271 -0.158 1.00 0.00 H new ATOM 0 HB THR A 55 -13.580 -2.097 0.578 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.938 -3.437 -0.858 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.036 -1.849 0.351 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.207 -0.302 0.649 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.775 -0.707 -0.988 1.00 0.00 H new ATOM 882 N LEU A 56 -11.053 -2.378 -0.740 1.00 0.00 N ATOM 883 CA LEU A 56 -10.048 -3.366 -1.163 1.00 0.00 C ATOM 884 C LEU A 56 -10.614 -4.411 -2.137 1.00 0.00 C ATOM 885 O LEU A 56 -9.994 -4.722 -3.156 1.00 0.00 O ATOM 886 CB LEU A 56 -9.554 -4.110 0.087 1.00 0.00 C ATOM 887 CG LEU A 56 -8.673 -3.298 1.052 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.400 -4.124 2.307 1.00 0.00 C ATOM 889 CD2 LEU A 56 -7.324 -2.953 0.413 1.00 0.00 C ATOM 0 H LEU A 56 -11.145 -2.308 0.273 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.250 -2.827 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.423 -4.472 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.993 -4.987 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.204 -2.378 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.776 -3.550 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.344 -4.368 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.885 -5.044 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.723 -2.379 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.799 -3.872 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.489 -2.362 -0.488 1.00 0.00 H new ATOM 901 N SER A 57 -11.797 -4.955 -1.825 1.00 0.00 N ATOM 902 CA SER A 57 -12.423 -6.004 -2.633 1.00 0.00 C ATOM 903 C SER A 57 -12.818 -5.505 -4.018 1.00 0.00 C ATOM 904 O SER A 57 -12.836 -6.300 -4.955 1.00 0.00 O ATOM 905 CB SER A 57 -13.646 -6.574 -1.912 1.00 0.00 C ATOM 906 OG SER A 57 -14.147 -7.708 -2.599 1.00 0.00 O ATOM 0 H SER A 57 -12.343 -4.681 -1.009 1.00 0.00 H new ATOM 0 HA SER A 57 -11.682 -6.792 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.378 -6.849 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.422 -5.812 -1.843 1.00 0.00 H new ATOM 0 HG SER A 57 -14.928 -8.060 -2.123 1.00 0.00 H new ATOM 912 N ASP A 58 -13.104 -4.213 -4.179 1.00 0.00 N ATOM 913 CA ASP A 58 -13.579 -3.707 -5.479 1.00 0.00 C ATOM 914 C ASP A 58 -12.403 -3.661 -6.471 1.00 0.00 C ATOM 915 O ASP A 58 -12.581 -3.939 -7.658 1.00 0.00 O ATOM 916 CB ASP A 58 -14.137 -2.297 -5.303 1.00 0.00 C ATOM 917 CG ASP A 58 -15.083 -1.934 -6.457 1.00 0.00 C ATOM 918 OD1 ASP A 58 -16.117 -2.632 -6.629 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.803 -0.929 -7.149 1.00 0.00 O ATOM 0 H ASP A 58 -13.020 -3.507 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.358 -4.367 -5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.670 -2.228 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.317 -1.580 -5.260 1.00 0.00 H new ATOM 924 N TYR A 59 -11.191 -3.383 -5.973 1.00 0.00 N ATOM 925 CA TYR A 59 -9.927 -3.576 -6.687 1.00 0.00 C ATOM 926 C TYR A 59 -9.446 -5.030 -6.924 1.00 0.00 C ATOM 927 O TYR A 59 -8.425 -5.240 -7.583 1.00 0.00 O ATOM 928 CB TYR A 59 -8.834 -2.672 -6.084 1.00 0.00 C ATOM 929 CG TYR A 59 -8.822 -1.215 -6.517 1.00 0.00 C ATOM 930 CD1 TYR A 59 -8.149 -0.849 -7.703 1.00 0.00 C ATOM 931 CD2 TYR A 59 -9.359 -0.215 -5.685 1.00 0.00 C ATOM 932 CE1 TYR A 59 -7.968 0.508 -8.028 1.00 0.00 C ATOM 933 CE2 TYR A 59 -9.183 1.148 -6.009 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.463 1.511 -7.164 1.00 0.00 C ATOM 935 OH TYR A 59 -8.193 2.820 -7.421 1.00 0.00 O ATOM 0 H TYR A 59 -11.062 -3.006 -5.034 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.147 -3.266 -7.709 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.932 -2.701 -4.999 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.864 -3.105 -6.328 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.771 -1.615 -8.364 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.907 -0.491 -4.796 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.452 0.783 -8.936 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.601 1.913 -5.371 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.295 2.899 -7.806 1.00 0.00 H new ATOM 945 N ASN A 60 -10.172 -6.033 -6.402 1.00 0.00 N ATOM 946 CA ASN A 60 -9.799 -7.460 -6.333 1.00 0.00 C ATOM 947 C ASN A 60 -8.526 -7.731 -5.489 1.00 0.00 C ATOM 948 O ASN A 60 -7.754 -8.658 -5.756 1.00 0.00 O ATOM 949 CB ASN A 60 -9.792 -8.069 -7.753 1.00 0.00 C ATOM 950 CG ASN A 60 -9.915 -9.587 -7.800 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.053 -10.294 -6.809 1.00 0.00 O ATOM 952 ND2 ASN A 60 -9.912 -10.145 -8.989 1.00 0.00 N ATOM 0 H ASN A 60 -11.090 -5.861 -5.992 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.565 -7.992 -5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.613 -7.635 -8.323 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.868 -7.778 -8.253 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.024 -11.155 -9.079 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.798 -9.568 -9.823 1.00 0.00 H new ATOM 959 N ILE A 61 -8.297 -6.927 -4.443 1.00 0.00 N ATOM 960 CA ILE A 61 -7.177 -7.094 -3.500 1.00 0.00 C ATOM 961 C ILE A 61 -7.525 -8.226 -2.513 1.00 0.00 C ATOM 962 O ILE A 61 -8.106 -8.010 -1.453 1.00 0.00 O ATOM 963 CB ILE A 61 -6.807 -5.751 -2.810 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.615 -4.632 -3.862 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.533 -5.933 -1.965 1.00 0.00 C ATOM 966 CD1 ILE A 61 -6.185 -3.264 -3.322 1.00 0.00 C ATOM 0 H ILE A 61 -8.892 -6.129 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.274 -7.387 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.624 -5.454 -2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.870 -4.965 -4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.552 -4.507 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.278 -4.989 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.707 -6.693 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.711 -6.246 -2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.082 -2.562 -4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.937 -2.895 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.229 -3.360 -2.807 1.00 0.00 H new ATOM 978 N GLN A 62 -7.199 -9.464 -2.891 1.00 0.00 N ATOM 979 CA GLN A 62 -7.390 -10.684 -2.081 1.00 0.00 C ATOM 980 C GLN A 62 -6.465 -10.741 -0.843 1.00 0.00 C ATOM 981 O GLN A 62 -5.445 -10.047 -0.790 1.00 0.00 O ATOM 982 CB GLN A 62 -7.195 -11.916 -2.991 1.00 0.00 C ATOM 983 CG GLN A 62 -5.747 -12.111 -3.495 1.00 0.00 C ATOM 984 CD GLN A 62 -5.635 -12.764 -4.874 1.00 0.00 C ATOM 985 OE1 GLN A 62 -5.050 -13.825 -5.039 1.00 0.00 O ATOM 986 NE2 GLN A 62 -6.245 -12.202 -5.898 1.00 0.00 N ATOM 0 H GLN A 62 -6.780 -9.659 -3.800 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.404 -10.674 -1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.501 -12.809 -2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.858 -11.826 -3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.253 -11.140 -3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.204 -12.721 -2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.737 -11.317 -5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.225 -12.652 -6.813 1.00 0.00 H new ATOM 995 N LYS A 63 -6.777 -11.591 0.149 1.00 0.00 N ATOM 996 CA LYS A 63 -5.907 -11.792 1.325 1.00 0.00 C ATOM 997 C LYS A 63 -4.561 -12.372 0.887 1.00 0.00 C ATOM 998 O LYS A 63 -4.522 -13.281 0.057 1.00 0.00 O ATOM 999 CB LYS A 63 -6.634 -12.619 2.401 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.827 -14.099 2.037 1.00 0.00 C ATOM 1001 CD LYS A 63 -5.785 -15.031 2.684 1.00 0.00 C ATOM 1002 CE LYS A 63 -5.645 -16.325 1.877 1.00 0.00 C ATOM 1003 NZ LYS A 63 -4.732 -16.153 0.722 1.00 0.00 N ATOM 0 H LYS A 63 -7.628 -12.153 0.162 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.684 -10.835 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.071 -12.556 3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.611 -12.172 2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.825 -14.413 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.778 -14.208 0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.821 -14.525 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.083 -15.264 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.269 -17.118 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.626 -16.641 1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.052 -16.752 -0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.735 -15.157 0.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.768 -16.429 0.998 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.483 -11.878 1.492 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.072 -12.076 1.099 1.00 0.00 C ATOM 1019 C GLU A 64 -1.653 -11.394 -0.220 1.00 0.00 C ATOM 1020 O GLU A 64 -0.592 -11.682 -0.769 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.623 -13.545 1.248 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.660 -14.007 2.716 1.00 0.00 C ATOM 1023 CD GLU A 64 -1.900 -15.504 2.936 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -2.318 -16.231 2.010 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -1.751 -15.972 4.087 1.00 0.00 O ATOM 0 H GLU A 64 -3.566 -11.291 2.322 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.489 -11.517 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.270 -14.186 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.612 -13.658 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.715 -13.736 3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.444 -13.453 3.232 1.00 0.00 H new ATOM 1032 N SER A 65 -2.435 -10.422 -0.716 1.00 0.00 N ATOM 1033 CA SER A 65 -2.013 -9.539 -1.821 1.00 0.00 C ATOM 1034 C SER A 65 -0.699 -8.819 -1.531 1.00 0.00 C ATOM 1035 O SER A 65 -0.536 -8.217 -0.469 1.00 0.00 O ATOM 1036 CB SER A 65 -3.036 -8.437 -2.119 1.00 0.00 C ATOM 1037 OG SER A 65 -4.141 -8.965 -2.797 1.00 0.00 O ATOM 0 H SER A 65 -3.373 -10.225 -0.366 1.00 0.00 H new ATOM 0 HA SER A 65 -1.908 -10.215 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.361 -7.973 -1.188 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.572 -7.655 -2.720 1.00 0.00 H new ATOM 0 HG SER A 65 -4.733 -9.414 -2.158 1.00 0.00 H new ATOM 1043 N THR A 66 0.206 -8.802 -2.513 1.00 0.00 N ATOM 1044 CA THR A 66 1.400 -7.936 -2.520 1.00 0.00 C ATOM 1045 C THR A 66 1.226 -6.692 -3.384 1.00 0.00 C ATOM 1046 O THR A 66 1.234 -6.762 -4.612 1.00 0.00 O ATOM 1047 CB THR A 66 2.669 -8.717 -2.894 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.744 -9.906 -2.135 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.953 -7.927 -2.641 1.00 0.00 C ATOM 0 H THR A 66 0.134 -9.396 -3.339 1.00 0.00 H new ATOM 0 HA THR A 66 1.524 -7.581 -1.497 1.00 0.00 H new ATOM 0 HB THR A 66 2.593 -8.924 -3.961 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.554 -10.400 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.814 -8.532 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.940 -7.013 -3.234 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.021 -7.672 -1.583 1.00 0.00 H new ATOM 1057 N LEU A 67 1.043 -5.545 -2.732 1.00 0.00 N ATOM 1058 CA LEU A 67 1.050 -4.233 -3.369 1.00 0.00 C ATOM 1059 C LEU A 67 2.488 -3.845 -3.719 1.00 0.00 C ATOM 1060 O LEU A 67 3.426 -4.190 -3.006 1.00 0.00 O ATOM 1061 CB LEU A 67 0.392 -3.196 -2.441 1.00 0.00 C ATOM 1062 CG LEU A 67 -1.112 -3.439 -2.193 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.425 -4.347 -1.008 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.805 -2.103 -1.930 1.00 0.00 C ATOM 0 H LEU A 67 0.883 -5.503 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 67 0.472 -4.265 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.913 -3.199 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.523 -2.203 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.472 -3.937 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.505 -4.460 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.971 -5.325 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.023 -3.906 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.867 -2.272 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.363 -1.630 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.679 -1.452 -2.795 1.00 0.00 H new ATOM 1076 N HIS A 68 2.668 -3.078 -4.790 1.00 0.00 N ATOM 1077 CA HIS A 68 3.894 -2.332 -5.047 1.00 0.00 C ATOM 1078 C HIS A 68 3.812 -0.979 -4.427 1.00 0.00 C ATOM 1079 O HIS A 68 2.769 -0.444 -4.044 1.00 0.00 O ATOM 1080 CB HIS A 68 4.213 -2.258 -6.524 1.00 0.00 C ATOM 1081 CG HIS A 68 4.700 -3.551 -7.131 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.113 -4.803 -7.015 1.00 0.00 N ATOM 1083 CD2 HIS A 68 5.819 -3.707 -7.903 1.00 0.00 C ATOM 1084 CE1 HIS A 68 4.876 -5.680 -7.670 1.00 0.00 C ATOM 1085 NE2 HIS A 68 5.934 -5.060 -8.230 1.00 0.00 N ATOM 0 H HIS A 68 1.958 -2.956 -5.512 1.00 0.00 H new ATOM 0 HA HIS A 68 4.721 -2.869 -4.583 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.320 -1.936 -7.059 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.972 -1.491 -6.680 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.495 -2.921 -8.206 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.674 -6.739 -7.742 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.673 -5.494 -8.783 1.00 0.00 H new ATOM 1093 N LEU A 69 4.993 -0.410 -4.393 1.00 0.00 N ATOM 1094 CA LEU A 69 5.143 0.947 -4.064 1.00 0.00 C ATOM 1095 C LEU A 69 5.876 1.736 -5.136 1.00 0.00 C ATOM 1096 O LEU A 69 6.752 1.226 -5.835 1.00 0.00 O ATOM 1097 CB LEU A 69 5.909 1.081 -2.767 1.00 0.00 C ATOM 1098 CG LEU A 69 6.075 2.415 -2.039 1.00 0.00 C ATOM 1099 CD1 LEU A 69 4.721 2.976 -1.665 1.00 0.00 C ATOM 1100 CD2 LEU A 69 6.906 2.218 -0.775 1.00 0.00 C ATOM 0 H LEU A 69 5.867 -0.895 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 69 4.137 1.356 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.443 0.396 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.914 0.705 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 69 6.583 3.114 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.851 3.926 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.130 3.133 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.204 2.274 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.020 3.173 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.404 1.510 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.889 1.830 -1.043 1.00 0.00 H new ATOM 1112 N VAL A 70 5.622 3.041 -5.130 1.00 0.00 N ATOM 1113 CA VAL A 70 6.615 4.039 -5.509 1.00 0.00 C ATOM 1114 C VAL A 70 6.927 5.113 -4.500 1.00 0.00 C ATOM 1115 O VAL A 70 6.156 5.350 -3.588 1.00 0.00 O ATOM 1116 CB VAL A 70 6.282 4.829 -6.799 1.00 0.00 C ATOM 1117 CG1 VAL A 70 7.543 5.164 -7.643 1.00 0.00 C ATOM 1118 CG2 VAL A 70 5.281 4.118 -7.725 1.00 0.00 C ATOM 0 H VAL A 70 4.721 3.436 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 70 7.469 3.372 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 70 5.828 5.745 -6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.248 5.718 -8.534 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.228 5.770 -7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.039 4.240 -7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.099 4.734 -8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.690 3.156 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.343 3.959 -7.193 1.00 0.00 H new ATOM 1128 N LEU A 71 7.997 5.847 -4.763 1.00 0.00 N ATOM 1129 CA LEU A 71 8.094 7.244 -4.395 1.00 0.00 C ATOM 1130 C LEU A 71 7.012 8.228 -4.848 1.00 0.00 C ATOM 1131 O LEU A 71 6.212 7.964 -5.735 1.00 0.00 O ATOM 1132 CB LEU A 71 9.429 7.813 -4.902 1.00 0.00 C ATOM 1133 CG LEU A 71 10.538 8.151 -3.884 1.00 0.00 C ATOM 1134 CD1 LEU A 71 10.494 9.610 -3.428 1.00 0.00 C ATOM 1135 CD2 LEU A 71 10.597 7.239 -2.657 1.00 0.00 C ATOM 0 H LEU A 71 8.823 5.486 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 71 7.977 7.185 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.843 7.097 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.207 8.723 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 71 11.451 7.972 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.296 9.792 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.621 10.265 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.533 9.815 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.409 7.560 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.652 7.295 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.772 6.211 -2.976 1.00 0.00 H new ATOM 1147 N ARG A 72 7.140 9.443 -4.297 1.00 0.00 N ATOM 1148 CA ARG A 72 6.796 10.643 -5.038 1.00 0.00 C ATOM 1149 C ARG A 72 7.757 10.966 -6.193 1.00 0.00 C ATOM 1150 O ARG A 72 7.427 10.664 -7.331 1.00 0.00 O ATOM 1151 CB ARG A 72 6.481 11.853 -4.119 1.00 0.00 C ATOM 1152 CG ARG A 72 5.156 11.713 -3.340 1.00 0.00 C ATOM 1153 CD ARG A 72 4.372 13.025 -3.147 1.00 0.00 C ATOM 1154 NE ARG A 72 5.030 13.975 -2.228 1.00 0.00 N ATOM 1155 CZ ARG A 72 4.468 15.003 -1.618 1.00 0.00 C ATOM 1156 NH1 ARG A 72 3.237 15.379 -1.806 1.00 0.00 N ATOM 1157 NH2 ARG A 72 5.125 15.659 -0.718 1.00 0.00 N ATOM 0 H ARG A 72 7.477 9.610 -3.349 1.00 0.00 H new ATOM 0 HA ARG A 72 5.856 10.410 -5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.298 11.981 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.442 12.758 -4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.518 11.000 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.372 11.289 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.237 13.504 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.378 12.792 -2.765 1.00 0.00 H new ATOM 0 HE ARG A 72 6.022 13.821 -2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.642 14.869 -2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.867 16.184 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.077 15.383 -0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.691 16.453 -0.247 1.00 0.00 H new ATOM 1171 N LEU A 73 8.902 11.613 -5.937 1.00 0.00 N ATOM 1172 CA LEU A 73 9.896 11.941 -6.986 1.00 0.00 C ATOM 1173 C LEU A 73 11.332 12.152 -6.457 1.00 0.00 C ATOM 1174 O LEU A 73 12.307 11.637 -7.005 1.00 0.00 O ATOM 1175 CB LEU A 73 9.416 13.185 -7.778 1.00 0.00 C ATOM 1176 CG LEU A 73 10.228 13.498 -9.055 1.00 0.00 C ATOM 1177 CD1 LEU A 73 9.958 12.480 -10.170 1.00 0.00 C ATOM 1178 CD2 LEU A 73 9.863 14.882 -9.579 1.00 0.00 C ATOM 0 H LEU A 73 9.171 11.925 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 73 9.957 11.071 -7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.372 13.040 -8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.453 14.053 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 73 11.282 13.451 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.549 12.738 -11.049 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.234 11.483 -9.827 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.899 12.495 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.440 15.094 -10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.799 14.913 -9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.088 15.630 -8.819 1.00 0.00 H new ATOM 1190 N ARG A 74 11.469 12.929 -5.374 1.00 0.00 N ATOM 1191 CA ARG A 74 12.720 13.238 -4.634 1.00 0.00 C ATOM 1192 C ARG A 74 12.466 13.368 -3.125 1.00 0.00 C ATOM 1193 O ARG A 74 11.324 13.565 -2.730 1.00 0.00 O ATOM 1194 CB ARG A 74 13.351 14.539 -5.188 1.00 0.00 C ATOM 1195 CG ARG A 74 14.113 14.445 -6.524 1.00 0.00 C ATOM 1196 CD ARG A 74 15.437 13.665 -6.448 1.00 0.00 C ATOM 1197 NE ARG A 74 15.241 12.207 -6.587 1.00 0.00 N ATOM 1198 CZ ARG A 74 15.811 11.233 -5.892 1.00 0.00 C ATOM 1199 NH1 ARG A 74 16.603 11.433 -4.875 1.00 0.00 N ATOM 1200 NH2 ARG A 74 15.580 9.986 -6.182 1.00 0.00 N ATOM 0 H ARG A 74 10.662 13.393 -4.957 1.00 0.00 H new ATOM 0 HA ARG A 74 13.413 12.410 -4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.556 15.276 -5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 74 14.037 14.927 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.468 13.970 -7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.320 15.454 -6.882 1.00 0.00 H new ATOM 0 HD2 ARG A 74 16.107 14.015 -7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.925 13.874 -5.496 1.00 0.00 H new ATOM 0 HE ARG A 74 14.584 11.913 -7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.815 12.384 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.010 10.638 -4.382 1.00 0.00 H new ATOM 0 HH21 ARG A 74 14.954 9.749 -6.952 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.025 9.245 -5.640 1.00 0.00 H new ATOM 1214 N GLY A 75 13.524 13.251 -2.326 1.00 0.00 N ATOM 1215 CA GLY A 75 13.501 13.356 -0.858 1.00 0.00 C ATOM 1216 C GLY A 75 13.958 12.058 -0.147 1.00 0.00 C ATOM 1217 O GLY A 75 14.268 11.066 -0.819 1.00 0.00 O ATOM 0 H GLY A 75 14.460 13.074 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.146 14.179 -0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.490 13.604 -0.534 1.00 0.00 H new ATOM 1221 N GLY A 76 13.985 12.100 1.183 1.00 0.00 N ATOM 1222 CA GLY A 76 14.360 10.980 2.050 1.00 0.00 C ATOM 1223 C GLY A 76 15.809 10.989 2.547 1.00 0.00 C ATOM 1224 O GLY A 76 16.671 11.617 1.921 1.00 0.00 O ATOM 1225 OXT GLY A 76 16.055 10.381 3.603 1.00 0.00 O ATOM 0 H GLY A 76 13.739 12.940 1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.697 10.975 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.185 10.050 1.509 1.00 0.00 H new TER 1229 GLY A 76