USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 127:sc= 1.07 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.92 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -175:sc= 0.795 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 107:sc= 0.377 USER MOD Single : A 1 MET CE :methyl -146:sc= 0 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.43 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= 1.01 (180deg=0.13!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.13 K(o=1.1,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.46 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.39) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.12) USER MOD Single : A 41 GLN : amide:sc= 0.51 K(o=0.51,f=-0.87) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.282 USER MOD Single : A 60 ASN : amide:sc= 0.0268 X(o=0.027,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 84:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.238 K(o=0.24,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.903 -7.082 -5.060 1.00 9.67 N ATOM 2 CA MET A 1 10.983 -7.406 -3.583 1.00 10.38 C ATOM 3 C MET A 1 9.620 -7.773 -2.992 1.00 9.62 C ATOM 4 O MET A 1 8.606 -7.237 -3.479 1.00 9.62 O ATOM 5 CB MET A 1 11.671 -6.238 -2.894 1.00 13.77 C ATOM 6 CG MET A 1 10.718 -5.111 -2.510 1.00 16.29 C ATOM 7 SD MET A 1 11.712 -3.739 -1.809 1.00 17.17 S ATOM 8 CE MET A 1 10.301 -2.753 -1.407 1.00 16.11 C ATOM 0 H1 MET A 1 11.863 -7.040 -5.459 1.00 9.67 H new ATOM 0 H2 MET A 1 10.358 -7.821 -5.548 1.00 9.67 H new ATOM 0 H3 MET A 1 10.434 -6.163 -5.189 1.00 9.67 H new ATOM 0 HA MET A 1 11.578 -8.305 -3.418 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.173 -6.600 -1.997 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.443 -5.841 -3.553 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.160 -4.770 -3.382 1.00 16.29 H new ATOM 0 HG3 MET A 1 9.987 -5.462 -1.782 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.547 -1.698 -1.530 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.475 -3.013 -2.069 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.009 -2.939 -0.373 1.00 16.11 H new ATOM 20 N GLN A 2 9.581 -8.613 -2.003 1.00 9.27 N ATOM 21 CA GLN A 2 8.358 -8.932 -1.287 1.00 9.07 C ATOM 22 C GLN A 2 8.043 -7.801 -0.242 1.00 8.72 C ATOM 23 O GLN A 2 8.899 -7.214 0.453 1.00 8.22 O ATOM 24 CB GLN A 2 8.362 -10.232 -0.493 1.00 14.46 C ATOM 25 CG GLN A 2 8.433 -11.488 -1.402 1.00 17.01 C ATOM 26 CD GLN A 2 8.544 -12.780 -0.596 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.180 -12.912 0.572 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.051 -13.882 -1.216 1.00 19.49 N ATOM 0 H GLN A 2 10.402 -9.109 -1.657 1.00 9.27 H new ATOM 0 HA GLN A 2 7.619 -9.030 -2.082 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.212 -10.234 0.189 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.462 -10.282 0.119 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.544 -11.530 -2.031 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.291 -11.403 -2.069 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.366 -13.823 -2.184 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.115 -14.766 -0.712 1.00 19.49 H new ATOM 37 N ILE A 3 6.785 -7.554 -0.088 1.00 5.87 N ATOM 38 CA ILE A 3 6.148 -6.765 0.861 1.00 5.07 C ATOM 39 C ILE A 3 4.880 -7.456 1.283 1.00 4.01 C ATOM 40 O ILE A 3 4.391 -8.327 0.580 1.00 4.61 O ATOM 41 CB ILE A 3 5.892 -5.322 0.421 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.105 -5.212 -0.926 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.219 -4.541 0.452 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.522 -3.775 -1.106 1.00 10.83 C ATOM 0 H ILE A 3 6.105 -7.969 -0.725 1.00 5.87 H new ATOM 0 HA ILE A 3 6.825 -6.661 1.709 1.00 5.07 H new ATOM 0 HB ILE A 3 5.215 -4.851 1.134 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.766 -5.449 -1.760 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.297 -5.943 -0.942 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.043 -3.512 0.139 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.622 -4.549 1.465 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.933 -5.009 -0.226 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.978 -3.719 -2.049 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.844 -3.551 -0.282 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.336 -3.050 -1.113 1.00 10.83 H new ATOM 56 N PHE A 4 4.323 -7.133 2.467 1.00 4.55 N ATOM 57 CA PHE A 4 3.159 -7.731 3.087 1.00 4.68 C ATOM 58 C PHE A 4 2.251 -6.577 3.348 1.00 5.30 C ATOM 59 O PHE A 4 2.695 -5.552 3.822 1.00 5.58 O ATOM 60 CB PHE A 4 3.457 -8.367 4.500 1.00 4.83 C ATOM 61 CG PHE A 4 4.645 -9.271 4.448 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.529 -10.526 3.797 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.888 -8.922 4.872 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.610 -11.406 3.671 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.035 -9.716 4.736 1.00 10.61 C ATOM 66 CZ PHE A 4 6.878 -10.969 4.091 1.00 8.90 C ATOM 0 H PHE A 4 4.716 -6.390 3.045 1.00 4.55 H new ATOM 0 HA PHE A 4 2.773 -8.519 2.441 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.631 -7.575 5.228 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.586 -8.927 4.840 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.573 -10.812 3.384 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.001 -7.960 5.350 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.473 -12.396 3.261 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.995 -9.388 5.106 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.742 -11.594 3.921 1.00 8.90 H new ATOM 76 N VAL A 5 0.917 -6.762 3.124 1.00 4.44 N ATOM 77 CA VAL A 5 -0.028 -5.775 3.469 1.00 3.87 C ATOM 78 C VAL A 5 -0.945 -6.539 4.426 1.00 4.93 C ATOM 79 O VAL A 5 -1.654 -7.470 3.992 1.00 6.84 O ATOM 80 CB VAL A 5 -0.783 -5.241 2.212 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.917 -4.324 2.574 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.165 -4.425 1.282 1.00 9.13 C ATOM 0 H VAL A 5 0.519 -7.602 2.704 1.00 4.44 H new ATOM 0 HA VAL A 5 0.404 -4.878 3.913 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.162 -6.130 1.707 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.411 -3.979 1.665 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.634 -4.860 3.195 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.530 -3.466 3.124 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.393 -4.068 0.416 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.568 -3.574 1.830 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.984 -5.062 0.948 1.00 9.13 H new ATOM 92 N LYS A 6 -1.025 -6.030 5.655 1.00 6.04 N ATOM 93 CA LYS A 6 -2.127 -6.436 6.531 1.00 6.12 C ATOM 94 C LYS A 6 -3.377 -5.725 6.211 1.00 6.57 C ATOM 95 O LYS A 6 -3.382 -4.635 5.580 1.00 5.76 O ATOM 96 CB LYS A 6 -1.745 -6.374 8.024 1.00 7.45 C ATOM 97 CG LYS A 6 -0.565 -7.266 8.369 1.00 11.12 C ATOM 98 CD LYS A 6 -0.376 -7.452 9.890 1.00 14.54 C ATOM 99 CE LYS A 6 0.329 -8.719 10.345 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.568 -9.851 10.255 1.00 20.55 N ATOM 0 H LYS A 6 -0.368 -5.361 6.057 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.326 -7.489 6.330 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.506 -5.344 8.290 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.605 -6.668 8.626 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.705 -8.242 7.904 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.343 -6.838 7.945 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.184 -6.597 10.269 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.359 -7.423 10.360 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.211 -8.895 9.728 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.676 -8.602 11.372 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.103 -10.694 10.648 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.435 -9.651 10.794 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.812 -10.022 9.259 1.00 20.55 H new ATOM 114 N THR A 7 -4.557 -6.285 6.569 1.00 7.41 N ATOM 115 CA THR A 7 -5.808 -5.633 6.178 1.00 7.48 C ATOM 116 C THR A 7 -6.833 -5.962 7.262 1.00 8.75 C ATOM 117 O THR A 7 -6.743 -6.998 7.963 1.00 8.58 O ATOM 118 CB THR A 7 -6.416 -6.114 4.865 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.623 -5.414 4.421 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.705 -7.607 4.913 1.00 9.17 C ATOM 0 H THR A 7 -4.659 -7.148 7.104 1.00 7.41 H new ATOM 0 HA THR A 7 -5.575 -4.576 6.053 1.00 7.48 H new ATOM 0 HB THR A 7 -5.647 -5.879 4.129 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.930 -5.797 3.572 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.138 -7.924 3.964 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.777 -8.152 5.089 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.407 -7.816 5.720 1.00 9.17 H new ATOM 128 N LEU A 8 -7.868 -5.046 7.463 1.00 9.84 N ATOM 129 CA LEU A 8 -8.889 -5.104 8.532 1.00 14.15 C ATOM 130 C LEU A 8 -9.839 -6.287 8.446 1.00 17.37 C ATOM 131 O LEU A 8 -10.639 -6.483 9.305 1.00 17.01 O ATOM 132 CB LEU A 8 -9.744 -3.874 8.557 1.00 16.63 C ATOM 133 CG LEU A 8 -8.928 -2.530 8.659 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.900 -1.316 8.466 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.138 -2.303 9.945 1.00 18.59 C ATOM 0 H LEU A 8 -7.992 -4.237 6.854 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.289 -5.201 9.437 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.354 -3.849 7.654 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.429 -3.937 9.403 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.180 -2.615 7.870 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.338 -0.385 8.536 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.373 -1.381 7.486 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.666 -1.336 9.241 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.622 -1.345 9.890 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.820 -2.300 10.795 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.407 -3.102 10.069 1.00 18.59 H new ATOM 147 N THR A 9 -9.754 -7.142 7.418 1.00 18.33 N ATOM 148 CA THR A 9 -10.510 -8.321 7.340 1.00 19.24 C ATOM 149 C THR A 9 -9.751 -9.521 7.964 1.00 19.48 C ATOM 150 O THR A 9 -10.229 -10.657 8.018 1.00 23.14 O ATOM 151 CB THR A 9 -10.912 -8.748 5.964 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.841 -8.867 5.050 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.780 -7.633 5.411 1.00 19.70 C ATOM 0 H THR A 9 -9.135 -6.997 6.620 1.00 18.33 H new ATOM 0 HA THR A 9 -11.414 -8.061 7.890 1.00 19.24 H new ATOM 0 HB THR A 9 -11.386 -9.725 6.059 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.186 -9.151 4.177 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.105 -7.891 4.403 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.653 -7.500 6.051 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.207 -6.706 5.382 1.00 19.70 H new ATOM 161 N GLY A 10 -8.499 -9.315 8.449 1.00 19.43 N ATOM 162 CA GLY A 10 -7.812 -10.343 9.207 1.00 18.74 C ATOM 163 C GLY A 10 -6.886 -11.348 8.437 1.00 17.62 C ATOM 164 O GLY A 10 -6.552 -12.463 8.912 1.00 19.74 O ATOM 0 H GLY A 10 -7.968 -8.453 8.321 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.205 -9.847 9.964 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.567 -10.926 9.735 1.00 18.74 H new ATOM 168 N LYS A 11 -6.398 -10.861 7.273 1.00 13.56 N ATOM 169 CA LYS A 11 -5.423 -11.549 6.500 1.00 11.91 C ATOM 170 C LYS A 11 -4.200 -10.709 6.225 1.00 10.18 C ATOM 171 O LYS A 11 -4.123 -9.516 6.510 1.00 9.10 O ATOM 172 CB LYS A 11 -6.028 -12.028 5.152 1.00 13.43 C ATOM 173 CG LYS A 11 -6.483 -10.941 4.189 1.00 16.69 C ATOM 174 CD LYS A 11 -7.209 -11.711 3.035 1.00 17.92 C ATOM 175 CE LYS A 11 -7.390 -10.917 1.716 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.777 -11.813 0.611 1.00 21.93 N ATOM 0 H LYS A 11 -6.693 -9.972 6.869 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.112 -12.408 7.094 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.286 -12.645 4.645 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.881 -12.670 5.370 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.154 -10.235 4.678 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.637 -10.367 3.811 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.647 -12.620 2.818 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.192 -12.021 3.390 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.152 -10.149 1.851 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.461 -10.404 1.465 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.245 -11.261 -0.136 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.928 -12.272 0.223 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.431 -12.539 0.966 1.00 21.93 H new ATOM 190 N THR A 12 -3.200 -11.340 5.618 1.00 9.63 N ATOM 191 CA THR A 12 -1.983 -10.634 5.227 1.00 9.85 C ATOM 192 C THR A 12 -1.615 -11.050 3.818 1.00 11.66 C ATOM 193 O THR A 12 -1.559 -12.195 3.491 1.00 12.33 O ATOM 194 CB THR A 12 -0.804 -10.984 6.155 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.197 -10.528 7.460 1.00 10.91 O ATOM 196 CG2 THR A 12 0.520 -10.267 5.745 1.00 9.63 C ATOM 0 H THR A 12 -3.207 -12.333 5.387 1.00 9.63 H new ATOM 0 HA THR A 12 -2.173 -9.563 5.293 1.00 9.85 H new ATOM 0 HB THR A 12 -0.601 -12.054 6.109 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.417 -11.299 8.023 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.316 -10.551 6.434 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.795 -10.561 4.732 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.376 -9.187 5.783 1.00 9.63 H new ATOM 204 N ILE A 13 -1.471 -10.125 2.841 1.00 10.42 N ATOM 205 CA ILE A 13 -1.231 -10.460 1.437 1.00 11.84 C ATOM 206 C ILE A 13 0.168 -10.086 1.069 1.00 10.55 C ATOM 207 O ILE A 13 0.746 -9.064 1.449 1.00 11.92 O ATOM 208 CB ILE A 13 -2.242 -9.907 0.502 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.130 -8.408 0.235 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.626 -10.318 1.078 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.195 -7.779 -0.636 1.00 16.46 C ATOM 0 H ILE A 13 -1.520 -9.121 3.016 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.346 -11.539 1.332 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.079 -10.322 -0.492 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.132 -7.893 1.196 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.161 -8.219 -0.227 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.417 -9.938 0.431 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.690 -11.405 1.130 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.743 -9.899 2.078 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.994 -6.713 -0.743 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.187 -8.251 -1.619 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.172 -7.920 -0.174 1.00 16.46 H new ATOM 223 N THR A 14 0.866 -10.957 0.231 1.00 9.39 N ATOM 224 CA THR A 14 2.275 -10.814 -0.230 1.00 9.63 C ATOM 225 C THR A 14 2.250 -10.214 -1.587 1.00 11.20 C ATOM 226 O THR A 14 1.594 -10.750 -2.491 1.00 11.63 O ATOM 227 CB THR A 14 2.931 -12.185 -0.186 1.00 10.38 C ATOM 228 OG1 THR A 14 2.742 -12.763 1.079 1.00 16.30 O ATOM 229 CG2 THR A 14 4.499 -12.026 -0.294 1.00 11.66 C ATOM 0 H THR A 14 0.427 -11.799 -0.141 1.00 9.39 H new ATOM 0 HA THR A 14 2.864 -10.156 0.409 1.00 9.63 H new ATOM 0 HB THR A 14 2.503 -12.778 -0.994 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.165 -13.647 1.101 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.967 -13.010 -0.262 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.751 -11.534 -1.234 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.862 -11.424 0.539 1.00 11.66 H new ATOM 237 N LEU A 15 2.898 -9.128 -1.833 1.00 8.29 N ATOM 238 CA LEU A 15 3.004 -8.625 -3.185 1.00 9.03 C ATOM 239 C LEU A 15 4.451 -8.570 -3.640 1.00 8.59 C ATOM 240 O LEU A 15 5.361 -8.852 -2.807 1.00 7.79 O ATOM 241 CB LEU A 15 2.523 -7.151 -3.215 1.00 11.08 C ATOM 242 CG LEU A 15 1.170 -6.910 -2.621 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.861 -5.442 -2.258 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.010 -7.533 -3.401 1.00 15.27 C ATOM 0 H LEU A 15 3.367 -8.562 -1.126 1.00 8.29 H new ATOM 0 HA LEU A 15 2.415 -9.285 -3.821 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.250 -6.537 -2.683 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.514 -6.809 -4.250 1.00 11.08 H new ATOM 0 HG LEU A 15 1.247 -7.449 -1.677 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.142 -5.375 -1.836 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.587 -5.087 -1.527 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.919 -4.825 -3.155 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.930 -7.307 -2.897 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.011 -7.123 -4.411 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.144 -8.614 -3.451 1.00 15.27 H new ATOM 256 N GLU A 16 4.693 -8.283 -4.915 1.00 11.04 N ATOM 257 CA GLU A 16 5.997 -8.340 -5.533 1.00 11.50 C ATOM 258 C GLU A 16 6.293 -6.983 -6.232 1.00 10.13 C ATOM 259 O GLU A 16 5.572 -6.715 -7.223 1.00 9.83 O ATOM 260 CB GLU A 16 6.057 -9.493 -6.552 1.00 17.22 C ATOM 261 CG GLU A 16 7.475 -9.665 -7.185 1.00 23.33 C ATOM 262 CD GLU A 16 8.536 -9.638 -6.125 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.461 -10.463 -5.165 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.583 -8.962 -6.295 1.00 28.90 O ATOM 0 H GLU A 16 3.957 -7.996 -5.561 1.00 11.04 H new ATOM 0 HA GLU A 16 6.751 -8.523 -4.768 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.768 -10.422 -6.061 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.330 -9.311 -7.343 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.523 -10.607 -7.731 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.655 -8.869 -7.907 1.00 23.33 H new ATOM 271 N VAL A 17 7.218 -6.088 -5.740 1.00 8.99 N ATOM 272 CA VAL A 17 7.201 -4.715 -6.257 1.00 8.85 C ATOM 273 C VAL A 17 8.711 -4.280 -6.343 1.00 8.04 C ATOM 274 O VAL A 17 9.518 -4.959 -5.795 1.00 8.99 O ATOM 275 CB VAL A 17 6.518 -3.711 -5.383 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.959 -3.999 -5.434 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.065 -3.742 -3.947 1.00 10.54 C ATOM 0 H VAL A 17 7.928 -6.292 -5.037 1.00 8.99 H new ATOM 0 HA VAL A 17 6.652 -4.727 -7.198 1.00 8.85 H new ATOM 0 HB VAL A 17 6.715 -2.704 -5.750 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.435 -3.280 -4.804 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.605 -3.907 -6.461 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.763 -5.008 -5.072 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.544 -2.999 -3.343 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.908 -4.732 -3.519 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.131 -3.517 -3.959 1.00 10.54 H new ATOM 287 N GLU A 18 9.109 -3.186 -7.031 1.00 7.29 N ATOM 288 CA GLU A 18 10.445 -2.666 -6.833 1.00 7.08 C ATOM 289 C GLU A 18 10.462 -1.424 -5.853 1.00 6.45 C ATOM 290 O GLU A 18 9.406 -0.792 -5.598 1.00 5.28 O ATOM 291 CB GLU A 18 11.031 -2.269 -8.171 1.00 10.28 C ATOM 292 CG GLU A 18 11.156 -3.468 -9.140 1.00 12.65 C ATOM 293 CD GLU A 18 12.005 -4.580 -8.638 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.085 -4.339 -8.034 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.604 -5.754 -8.839 1.00 14.33 O ATOM 0 H GLU A 18 8.535 -2.674 -7.701 1.00 7.29 H new ATOM 0 HA GLU A 18 11.045 -3.452 -6.374 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.404 -1.502 -8.626 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.015 -1.826 -8.016 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.159 -3.855 -9.350 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.566 -3.113 -10.086 1.00 12.65 H new ATOM 302 N PRO A 19 11.627 -0.930 -5.382 1.00 7.24 N ATOM 303 CA PRO A 19 11.668 0.399 -4.732 1.00 7.07 C ATOM 304 C PRO A 19 11.346 1.560 -5.742 1.00 6.65 C ATOM 305 O PRO A 19 11.181 2.679 -5.250 1.00 6.37 O ATOM 306 CB PRO A 19 13.137 0.360 -4.239 1.00 7.61 C ATOM 307 CG PRO A 19 13.795 -0.754 -4.955 1.00 8.16 C ATOM 308 CD PRO A 19 12.792 -1.761 -5.111 1.00 7.49 C ATOM 0 HA PRO A 19 10.934 0.588 -3.949 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.640 1.304 -4.446 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.180 0.206 -3.161 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.175 -0.427 -5.923 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.646 -1.134 -4.390 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.014 -2.445 -5.930 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.670 -2.368 -4.214 1.00 7.49 H new ATOM 316 N SER A 20 11.315 1.296 -7.039 1.00 6.80 N ATOM 317 CA SER A 20 10.928 2.208 -8.029 1.00 6.28 C ATOM 318 C SER A 20 9.479 2.209 -8.303 1.00 8.45 C ATOM 319 O SER A 20 8.991 3.038 -9.067 1.00 7.26 O ATOM 320 CB SER A 20 11.687 2.017 -9.348 1.00 8.57 C ATOM 321 OG SER A 20 13.110 2.196 -9.250 1.00 11.13 O ATOM 0 H SER A 20 11.578 0.386 -7.417 1.00 6.80 H new ATOM 0 HA SER A 20 11.192 3.177 -7.605 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.485 1.015 -9.727 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.295 2.720 -10.083 1.00 8.57 H new ATOM 0 HG SER A 20 13.519 2.056 -10.130 1.00 11.13 H new ATOM 327 N ASP A 21 8.685 1.251 -7.794 1.00 7.50 N ATOM 328 CA ASP A 21 7.205 1.371 -7.837 1.00 7.70 C ATOM 329 C ASP A 21 6.731 2.468 -6.921 1.00 7.08 C ATOM 330 O ASP A 21 7.297 2.670 -5.816 1.00 8.11 O ATOM 331 CB ASP A 21 6.575 0.021 -7.429 1.00 11.00 C ATOM 332 CG ASP A 21 6.550 -0.881 -8.598 1.00 15.32 C ATOM 333 OD1 ASP A 21 5.632 -0.752 -9.435 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.440 -1.773 -8.737 1.00 18.03 O ATOM 0 H ASP A 21 9.029 0.397 -7.354 1.00 7.50 H new ATOM 0 HA ASP A 21 6.897 1.626 -8.851 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.148 -0.431 -6.619 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.563 0.177 -7.055 1.00 11.00 H new ATOM 339 N THR A 22 5.701 3.176 -7.367 1.00 5.37 N ATOM 340 CA THR A 22 4.959 4.182 -6.630 1.00 6.01 C ATOM 341 C THR A 22 3.950 3.581 -5.679 1.00 8.01 C ATOM 342 O THR A 22 3.659 2.355 -5.622 1.00 8.11 O ATOM 343 CB THR A 22 4.375 5.338 -7.523 1.00 8.92 C ATOM 344 OG1 THR A 22 3.477 4.846 -8.537 1.00 10.22 O ATOM 345 CG2 THR A 22 5.516 6.026 -8.232 1.00 9.65 C ATOM 0 H THR A 22 5.342 3.052 -8.314 1.00 5.37 H new ATOM 0 HA THR A 22 5.699 4.681 -6.004 1.00 6.01 H new ATOM 0 HB THR A 22 3.827 6.012 -6.865 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.138 5.598 -9.066 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.125 6.830 -8.855 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.205 6.440 -7.496 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.043 5.306 -8.858 1.00 9.65 H new ATOM 353 N ILE A 23 3.451 4.426 -4.803 1.00 8.32 N ATOM 354 CA ILE A 23 2.518 4.063 -3.810 1.00 9.92 C ATOM 355 C ILE A 23 1.197 3.738 -4.431 1.00 10.01 C ATOM 356 O ILE A 23 0.539 2.799 -4.069 1.00 8.71 O ATOM 357 CB ILE A 23 2.341 5.171 -2.752 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.651 5.606 -2.061 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.193 4.898 -1.679 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.500 4.475 -1.523 1.00 12.30 C ATOM 0 H ILE A 23 3.705 5.413 -4.779 1.00 8.32 H new ATOM 0 HA ILE A 23 2.910 3.180 -3.305 1.00 9.92 H new ATOM 0 HB ILE A 23 2.003 6.014 -3.355 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.246 6.179 -2.772 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.404 6.277 -1.238 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.145 5.731 -0.978 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.235 4.797 -2.189 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.414 3.979 -1.136 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.397 4.883 -1.057 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.930 3.913 -0.783 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.785 3.813 -2.341 1.00 12.30 H new ATOM 372 N GLU A 24 0.815 4.487 -5.509 1.00 9.54 N ATOM 373 CA GLU A 24 -0.237 4.228 -6.490 1.00 11.81 C ATOM 374 C GLU A 24 -0.084 2.859 -7.218 1.00 11.14 C ATOM 375 O GLU A 24 -1.000 2.119 -7.506 1.00 10.62 O ATOM 376 CB GLU A 24 -0.252 5.411 -7.465 1.00 19.24 C ATOM 377 CG GLU A 24 -1.229 5.316 -8.651 1.00 27.76 C ATOM 378 CD GLU A 24 -1.512 6.677 -9.298 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.579 7.547 -9.268 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.640 6.997 -9.691 1.00 34.80 O ATOM 0 H GLU A 24 1.292 5.365 -5.715 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.195 4.145 -5.978 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.488 6.314 -6.901 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.755 5.537 -7.863 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.818 4.641 -9.401 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.167 4.879 -8.309 1.00 27.76 H new ATOM 387 N ASN A 25 1.218 2.474 -7.462 1.00 9.43 N ATOM 388 CA ASN A 25 1.498 1.132 -8.045 1.00 10.96 C ATOM 389 C ASN A 25 1.167 0.025 -7.046 1.00 9.68 C ATOM 390 O ASN A 25 0.516 -0.958 -7.400 1.00 9.33 O ATOM 391 CB ASN A 25 2.943 0.933 -8.619 1.00 16.78 C ATOM 392 CG ASN A 25 3.202 1.760 -9.786 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.454 2.548 -10.335 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.411 1.457 -10.422 1.00 24.70 N ATOM 0 H ASN A 25 2.041 3.046 -7.272 1.00 9.43 H new ATOM 0 HA ASN A 25 0.839 1.069 -8.911 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.673 1.167 -7.844 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.083 -0.115 -8.883 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.640 1.892 -11.316 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.063 0.801 -9.992 1.00 24.70 H new ATOM 401 N VAL A 26 1.643 0.105 -5.819 1.00 6.52 N ATOM 402 CA VAL A 26 1.176 -0.847 -4.774 1.00 5.53 C ATOM 403 C VAL A 26 -0.336 -0.811 -4.610 1.00 4.42 C ATOM 404 O VAL A 26 -0.947 -1.859 -4.529 1.00 3.40 O ATOM 405 CB VAL A 26 1.862 -0.472 -3.494 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.431 -1.365 -2.225 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.325 -0.631 -3.684 1.00 8.12 C ATOM 0 H VAL A 26 2.332 0.789 -5.506 1.00 6.52 H new ATOM 0 HA VAL A 26 1.425 -1.868 -5.064 1.00 5.53 H new ATOM 0 HB VAL A 26 1.568 0.555 -3.276 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.973 -1.028 -1.342 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.359 -1.261 -2.054 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.668 -2.411 -2.419 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.843 -0.363 -2.763 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.548 -1.667 -3.937 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.660 0.020 -4.491 1.00 8.12 H new ATOM 417 N LYS A 27 -1.061 0.332 -4.603 1.00 2.64 N ATOM 418 CA LYS A 27 -2.577 0.279 -4.713 1.00 4.14 C ATOM 419 C LYS A 27 -3.174 -0.328 -5.958 1.00 5.58 C ATOM 420 O LYS A 27 -4.198 -1.046 -6.013 1.00 4.11 O ATOM 421 CB LYS A 27 -3.173 1.643 -4.326 1.00 3.97 C ATOM 422 CG LYS A 27 -2.593 2.127 -3.018 1.00 7.45 C ATOM 423 CD LYS A 27 -3.133 3.617 -2.715 1.00 9.02 C ATOM 424 CE LYS A 27 -2.767 4.106 -1.288 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.330 5.458 -1.137 1.00 15.47 N ATOM 0 H LYS A 27 -0.666 1.269 -4.527 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.886 -0.473 -3.987 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.969 2.371 -5.111 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.257 1.561 -4.241 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.877 1.453 -2.210 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.504 2.125 -3.067 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.717 4.307 -3.449 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.216 3.638 -2.836 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.174 3.433 -0.534 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.686 4.121 -1.151 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.915 5.915 -0.300 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.112 6.021 -1.984 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.361 5.394 -1.020 1.00 15.47 H new ATOM 439 N ALA A 28 -2.562 -0.111 -7.111 1.00 6.61 N ATOM 440 CA ALA A 28 -2.865 -0.865 -8.324 1.00 7.74 C ATOM 441 C ALA A 28 -2.570 -2.359 -8.288 1.00 9.17 C ATOM 442 O ALA A 28 -3.256 -3.118 -8.911 1.00 11.45 O ATOM 443 CB ALA A 28 -2.218 -0.211 -9.601 1.00 7.68 C ATOM 0 H ALA A 28 -1.837 0.596 -7.236 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.952 -0.800 -8.382 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.469 -0.804 -10.480 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.602 0.802 -9.725 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.135 -0.177 -9.483 1.00 7.68 H new ATOM 449 N LYS A 29 -1.501 -2.897 -7.574 1.00 8.96 N ATOM 450 CA LYS A 29 -1.216 -4.284 -7.325 1.00 7.90 C ATOM 451 C LYS A 29 -2.288 -5.002 -6.506 1.00 6.92 C ATOM 452 O LYS A 29 -2.762 -6.108 -6.794 1.00 6.87 O ATOM 453 CB LYS A 29 0.134 -4.483 -6.736 1.00 10.28 C ATOM 454 CG LYS A 29 0.772 -5.807 -7.206 1.00 14.94 C ATOM 455 CD LYS A 29 1.608 -5.666 -8.459 1.00 19.69 C ATOM 456 CE LYS A 29 2.363 -6.945 -8.922 1.00 22.63 C ATOM 457 NZ LYS A 29 2.792 -6.870 -10.330 1.00 24.98 N ATOM 0 H LYS A 29 -0.799 -2.290 -7.150 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.227 -4.752 -8.309 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.779 -3.649 -7.014 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.061 -4.480 -5.648 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.396 -6.204 -6.406 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -0.017 -6.537 -7.386 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.958 -5.338 -9.270 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.340 -4.875 -8.297 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.236 -7.097 -8.287 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.717 -7.813 -8.788 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.290 -7.746 -10.588 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.959 -6.752 -10.941 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.431 -6.059 -10.456 1.00 24.98 H new ATOM 471 N ILE A 30 -2.740 -4.265 -5.462 1.00 4.57 N ATOM 472 CA ILE A 30 -3.859 -4.642 -4.697 1.00 5.58 C ATOM 473 C ILE A 30 -5.178 -4.546 -5.484 1.00 7.26 C ATOM 474 O ILE A 30 -6.104 -5.317 -5.312 1.00 9.46 O ATOM 475 CB ILE A 30 -3.957 -3.871 -3.342 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.779 -4.172 -2.423 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.254 -4.186 -2.573 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.615 -3.236 -1.284 1.00 2.00 C ATOM 0 H ILE A 30 -2.306 -3.393 -5.159 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.700 -5.693 -4.457 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.950 -2.817 -3.618 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.894 -5.182 -2.030 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.864 -4.163 -3.016 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.269 -3.623 -1.640 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.114 -3.905 -3.180 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.297 -5.253 -2.354 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.751 -3.534 -0.690 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.464 -2.225 -1.663 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.509 -3.260 -0.661 1.00 2.00 H new ATOM 490 N GLN A 31 -5.330 -3.594 -6.417 1.00 7.06 N ATOM 491 CA GLN A 31 -6.448 -3.609 -7.286 1.00 8.67 C ATOM 492 C GLN A 31 -6.453 -4.817 -8.270 1.00 10.90 C ATOM 493 O GLN A 31 -7.489 -5.488 -8.508 1.00 9.63 O ATOM 494 CB GLN A 31 -6.619 -2.256 -8.035 1.00 9.12 C ATOM 495 CG GLN A 31 -7.754 -2.366 -9.075 1.00 10.76 C ATOM 496 CD GLN A 31 -7.948 -1.089 -9.909 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.023 -0.452 -9.683 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.048 -0.736 -10.896 1.00 14.76 N ATOM 0 H GLN A 31 -4.681 -2.821 -6.565 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.318 -3.744 -6.644 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.844 -1.463 -7.322 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.686 -1.985 -8.530 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.542 -3.199 -9.745 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.686 -2.599 -8.560 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.199 -1.285 -11.033 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.232 0.074 -11.488 1.00 14.76 H new ATOM 507 N ASP A 32 -5.263 -5.294 -8.753 1.00 10.93 N ATOM 508 CA ASP A 32 -5.099 -6.482 -9.568 1.00 14.01 C ATOM 509 C ASP A 32 -5.414 -7.696 -8.787 1.00 14.04 C ATOM 510 O ASP A 32 -6.225 -8.525 -9.202 1.00 13.39 O ATOM 511 CB ASP A 32 -3.660 -6.496 -10.175 1.00 18.01 C ATOM 512 CG ASP A 32 -3.546 -7.435 -11.349 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.227 -7.137 -12.359 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.882 -8.496 -11.223 1.00 25.17 O ATOM 0 H ASP A 32 -4.377 -4.825 -8.563 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.804 -6.469 -10.399 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.391 -5.488 -10.491 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.946 -6.790 -9.406 1.00 18.01 H new ATOM 519 N LYS A 33 -4.846 -7.881 -7.599 1.00 14.22 N ATOM 520 CA LYS A 33 -4.903 -9.114 -6.817 1.00 14.00 C ATOM 521 C LYS A 33 -6.258 -9.312 -6.099 1.00 12.37 C ATOM 522 O LYS A 33 -6.760 -10.394 -6.004 1.00 12.17 O ATOM 523 CB LYS A 33 -3.834 -9.083 -5.709 1.00 18.62 C ATOM 524 CG LYS A 33 -3.564 -10.389 -4.940 1.00 24.00 C ATOM 525 CD LYS A 33 -2.496 -10.267 -3.840 1.00 27.61 C ATOM 526 CE LYS A 33 -1.660 -11.538 -3.461 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.435 -12.738 -3.107 1.00 30.06 N ATOM 0 H LYS A 33 -4.311 -7.147 -7.135 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.746 -9.923 -7.530 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.895 -8.757 -6.157 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.123 -8.321 -4.985 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.496 -10.731 -4.489 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.253 -11.156 -5.649 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.796 -9.489 -4.143 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.991 -9.915 -2.935 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.010 -11.784 -4.300 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.014 -11.286 -2.620 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.784 -13.515 -2.875 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.037 -12.532 -2.284 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.032 -13.015 -3.912 1.00 30.06 H new ATOM 541 N GLU A 34 -6.855 -8.204 -5.630 1.00 10.11 N ATOM 542 CA GLU A 34 -8.030 -8.294 -4.794 1.00 10.07 C ATOM 543 C GLU A 34 -9.187 -7.405 -5.242 1.00 9.32 C ATOM 544 O GLU A 34 -10.226 -7.336 -4.602 1.00 11.61 O ATOM 545 CB GLU A 34 -7.686 -7.813 -3.359 1.00 14.77 C ATOM 546 CG GLU A 34 -6.663 -8.800 -2.624 1.00 18.75 C ATOM 547 CD GLU A 34 -7.324 -10.070 -2.137 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.384 -9.970 -1.421 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.792 -11.159 -2.395 1.00 21.95 O ATOM 0 H GLU A 34 -6.537 -7.254 -5.821 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.333 -9.339 -4.851 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.255 -6.813 -3.406 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.602 -7.738 -2.773 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.855 -9.056 -3.310 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.211 -8.283 -1.778 1.00 18.75 H new ATOM 556 N GLY A 35 -9.071 -6.621 -6.350 1.00 7.22 N ATOM 557 CA GLY A 35 -10.188 -5.852 -6.856 1.00 6.29 C ATOM 558 C GLY A 35 -10.590 -4.515 -6.142 1.00 6.93 C ATOM 559 O GLY A 35 -11.689 -4.007 -6.445 1.00 7.41 O ATOM 0 H GLY A 35 -8.211 -6.521 -6.890 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.976 -5.615 -7.899 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.063 -6.502 -6.849 1.00 6.29 H new ATOM 563 N ILE A 36 -9.760 -3.995 -5.265 1.00 5.86 N ATOM 564 CA ILE A 36 -10.162 -2.811 -4.521 1.00 6.07 C ATOM 565 C ILE A 36 -9.705 -1.546 -5.209 1.00 6.36 C ATOM 566 O ILE A 36 -8.478 -1.465 -5.389 1.00 6.18 O ATOM 567 CB ILE A 36 -9.501 -2.808 -3.105 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.911 -4.064 -2.248 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.876 -1.479 -2.361 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.964 -4.385 -1.142 1.00 9.49 C ATOM 0 H ILE A 36 -8.830 -4.355 -5.050 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.250 -2.839 -4.455 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.420 -2.864 -3.237 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.901 -3.894 -1.825 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.990 -4.929 -2.906 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.417 -1.473 -1.373 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.513 -0.626 -2.935 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.959 -1.413 -2.258 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.320 -5.262 -0.602 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.977 -4.589 -1.556 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.902 -3.538 -0.458 1.00 9.49 H new ATOM 582 N PRO A 37 -10.404 -0.488 -5.607 1.00 8.65 N ATOM 583 CA PRO A 37 -9.802 0.658 -6.272 1.00 9.18 C ATOM 584 C PRO A 37 -8.672 1.395 -5.606 1.00 9.85 C ATOM 585 O PRO A 37 -8.754 1.456 -4.398 1.00 8.51 O ATOM 586 CB PRO A 37 -10.959 1.597 -6.536 1.00 11.42 C ATOM 587 CG PRO A 37 -12.171 0.646 -6.563 1.00 9.27 C ATOM 588 CD PRO A 37 -11.872 -0.411 -5.565 1.00 8.33 C ATOM 0 HA PRO A 37 -9.285 0.268 -7.149 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.054 2.351 -5.755 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.841 2.129 -7.480 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.090 1.175 -6.310 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.312 0.219 -7.556 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.235 -0.145 -4.572 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.335 -1.361 -5.830 1.00 8.33 H new ATOM 596 N PRO A 38 -7.649 1.992 -6.229 1.00 8.71 N ATOM 597 CA PRO A 38 -6.701 2.895 -5.566 1.00 9.08 C ATOM 598 C PRO A 38 -7.270 4.014 -4.805 1.00 9.28 C ATOM 599 O PRO A 38 -6.817 4.349 -3.748 1.00 6.50 O ATOM 600 CB PRO A 38 -5.704 3.283 -6.623 1.00 10.31 C ATOM 601 CG PRO A 38 -5.933 2.215 -7.748 1.00 10.81 C ATOM 602 CD PRO A 38 -7.363 1.864 -7.646 1.00 12.00 C ATOM 0 HA PRO A 38 -6.220 2.370 -4.741 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.879 4.295 -6.988 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.683 3.253 -6.243 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.694 2.619 -8.732 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.299 1.341 -7.599 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.983 2.534 -8.242 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.553 0.852 -8.003 1.00 12.00 H new ATOM 610 N ASP A 39 -8.418 4.578 -5.210 1.00 11.20 N ATOM 611 CA ASP A 39 -8.992 5.712 -4.567 1.00 14.96 C ATOM 612 C ASP A 39 -9.984 5.267 -3.451 1.00 13.99 C ATOM 613 O ASP A 39 -10.703 6.000 -2.812 1.00 13.75 O ATOM 614 CB ASP A 39 -9.721 6.643 -5.563 1.00 24.16 C ATOM 615 CG ASP A 39 -8.770 7.214 -6.567 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.067 8.235 -6.201 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.684 6.653 -7.713 1.00 35.55 O ATOM 0 H ASP A 39 -8.960 4.237 -6.004 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.168 6.272 -4.124 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.505 6.087 -6.077 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.208 7.452 -5.019 1.00 24.16 H new ATOM 622 N GLN A 40 -9.976 3.956 -3.166 1.00 11.60 N ATOM 623 CA GLN A 40 -10.686 3.348 -2.100 1.00 10.76 C ATOM 624 C GLN A 40 -9.745 2.766 -1.063 1.00 8.01 C ATOM 625 O GLN A 40 -10.158 2.072 -0.127 1.00 8.96 O ATOM 626 CB GLN A 40 -11.554 2.217 -2.678 1.00 11.14 C ATOM 627 CG GLN A 40 -12.710 1.819 -1.733 1.00 14.85 C ATOM 628 CD GLN A 40 -13.597 0.657 -2.217 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.340 -0.449 -1.794 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.467 0.951 -3.215 1.00 18.16 N ATOM 0 H GLN A 40 -9.440 3.285 -3.716 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.298 4.107 -1.612 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.965 2.532 -3.637 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.929 1.345 -2.870 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.287 1.551 -0.765 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.342 2.693 -1.574 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.611 1.921 -3.496 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.977 0.202 -3.684 1.00 18.16 H new ATOM 639 N GLN A 41 -8.421 2.948 -1.199 1.00 6.52 N ATOM 640 CA GLN A 41 -7.317 2.431 -0.441 1.00 3.87 C ATOM 641 C GLN A 41 -6.583 3.543 0.234 1.00 4.79 C ATOM 642 O GLN A 41 -6.279 4.605 -0.341 1.00 6.34 O ATOM 643 CB GLN A 41 -6.300 1.716 -1.293 1.00 4.20 C ATOM 644 CG GLN A 41 -6.899 0.434 -1.777 1.00 3.20 C ATOM 645 CD GLN A 41 -5.783 -0.403 -2.500 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.663 -0.584 -1.951 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.079 -0.799 -3.720 1.00 7.13 N ATOM 0 H GLN A 41 -8.077 3.545 -1.951 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.757 1.732 0.270 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.009 2.340 -2.138 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.396 1.517 -0.717 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.312 -0.130 -0.940 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.722 0.637 -2.462 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.007 -0.620 -4.103 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.380 -1.285 -4.282 1.00 7.13 H new ATOM 656 N ARG A 42 -6.291 3.320 1.562 1.00 5.73 N ATOM 657 CA ARG A 42 -5.383 4.135 2.389 1.00 6.97 C ATOM 658 C ARG A 42 -4.207 3.241 2.911 1.00 7.15 C ATOM 659 O ARG A 42 -4.389 2.083 3.265 1.00 7.33 O ATOM 660 CB ARG A 42 -6.046 4.776 3.649 1.00 13.23 C ATOM 661 CG ARG A 42 -7.244 5.657 3.218 1.00 21.27 C ATOM 662 CD ARG A 42 -7.430 6.898 4.038 1.00 26.14 C ATOM 663 NE ARG A 42 -8.722 7.557 3.792 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.878 8.631 3.093 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.932 9.248 2.360 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.104 9.168 3.140 1.00 36.39 N ATOM 0 H ARG A 42 -6.701 2.544 2.081 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.055 4.942 1.734 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.383 3.995 4.331 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.316 5.378 4.190 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.112 5.943 2.174 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.155 5.061 3.272 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.353 6.644 5.095 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.623 7.597 3.818 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.554 7.135 4.203 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.986 8.867 2.323 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.161 10.096 1.842 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.833 8.727 3.701 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.309 10.018 2.615 1.00 36.39 H new ATOM 680 N LEU A 43 -2.973 3.703 2.861 1.00 4.65 N ATOM 681 CA LEU A 43 -1.885 2.813 3.239 1.00 3.51 C ATOM 682 C LEU A 43 -1.014 3.472 4.327 1.00 5.56 C ATOM 683 O LEU A 43 -0.481 4.551 4.132 1.00 4.19 O ATOM 684 CB LEU A 43 -0.931 2.482 2.017 1.00 3.74 C ATOM 685 CG LEU A 43 -1.468 1.434 0.932 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.355 1.143 -0.063 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.992 0.136 1.569 1.00 6.41 C ATOM 0 H LEU A 43 -2.702 4.644 2.577 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.349 1.894 3.598 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.706 3.416 1.502 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.010 2.103 2.416 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.320 1.881 0.419 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.710 0.430 -0.807 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.059 2.068 -0.559 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.502 0.723 0.463 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.343 -0.537 0.787 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.189 -0.345 2.128 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.816 0.369 2.244 1.00 6.41 H new ATOM 699 N ILE A 44 -0.893 2.856 5.518 1.00 4.58 N ATOM 700 CA ILE A 44 -0.235 3.336 6.645 1.00 5.55 C ATOM 701 C ILE A 44 1.087 2.483 6.826 1.00 5.46 C ATOM 702 O ILE A 44 0.985 1.273 7.107 1.00 6.04 O ATOM 703 CB ILE A 44 -1.132 3.282 7.935 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.419 4.177 7.842 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.254 3.471 9.223 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.525 3.648 6.912 1.00 13.90 C ATOM 0 H ILE A 44 -1.303 1.937 5.681 1.00 4.58 H new ATOM 0 HA ILE A 44 0.005 4.390 6.502 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.560 2.283 8.017 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.834 4.292 8.843 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.126 5.170 7.502 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.891 3.431 10.107 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.490 2.676 9.276 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.249 4.437 9.182 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.368 4.339 6.920 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.136 3.561 5.897 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.855 2.669 7.259 1.00 13.90 H new ATOM 718 N PHE A 45 2.233 3.215 7.009 1.00 6.75 N ATOM 719 CA PHE A 45 3.472 2.599 7.516 1.00 4.70 C ATOM 720 C PHE A 45 4.226 3.525 8.427 1.00 6.34 C ATOM 721 O PHE A 45 4.573 4.620 8.074 1.00 5.45 O ATOM 722 CB PHE A 45 4.309 2.103 6.312 1.00 5.51 C ATOM 723 CG PHE A 45 5.641 1.469 6.600 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.807 2.283 6.589 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.808 0.090 6.722 1.00 6.86 C ATOM 726 CE1 PHE A 45 8.078 1.764 6.816 1.00 6.64 C ATOM 727 CE2 PHE A 45 7.027 -0.431 6.913 1.00 6.68 C ATOM 728 CZ PHE A 45 8.164 0.401 7.034 1.00 6.84 C ATOM 0 H PHE A 45 2.309 4.213 6.812 1.00 6.75 H new ATOM 0 HA PHE A 45 3.228 1.737 8.138 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.707 1.382 5.760 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.478 2.951 5.649 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.702 3.341 6.398 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.949 -0.562 6.662 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.955 2.395 6.822 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.143 -1.503 6.976 1.00 6.68 H new ATOM 0 HZ PHE A 45 9.115 -0.035 7.301 1.00 6.84 H new ATOM 738 N ALA A 46 4.626 3.084 9.655 1.00 6.53 N ATOM 739 CA ALA A 46 5.417 3.847 10.614 1.00 7.15 C ATOM 740 C ALA A 46 4.796 5.221 11.035 1.00 9.00 C ATOM 741 O ALA A 46 5.390 6.193 11.432 1.00 11.15 O ATOM 742 CB ALA A 46 6.810 4.045 10.029 1.00 8.99 C ATOM 0 H ALA A 46 4.388 2.153 9.997 1.00 6.53 H new ATOM 0 HA ALA A 46 5.447 3.268 11.537 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.421 4.614 10.729 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.271 3.074 9.851 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.735 4.589 9.087 1.00 8.99 H new ATOM 748 N GLY A 47 3.427 5.224 11.095 1.00 9.35 N ATOM 749 CA GLY A 47 2.595 6.399 11.327 1.00 11.68 C ATOM 750 C GLY A 47 2.428 7.348 10.129 1.00 11.14 C ATOM 751 O GLY A 47 1.584 8.250 10.147 1.00 13.93 O ATOM 0 H GLY A 47 2.879 4.372 10.977 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.607 6.064 11.642 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.020 6.963 12.157 1.00 11.68 H new ATOM 755 N LYS A 48 3.138 6.988 9.045 1.00 10.47 N ATOM 756 CA LYS A 48 3.071 7.684 7.749 1.00 8.82 C ATOM 757 C LYS A 48 2.017 7.051 6.857 1.00 7.68 C ATOM 758 O LYS A 48 2.041 5.914 6.535 1.00 6.47 O ATOM 759 CB LYS A 48 4.381 7.605 6.958 1.00 9.74 C ATOM 760 CG LYS A 48 5.553 8.046 7.772 1.00 14.14 C ATOM 761 CD LYS A 48 6.833 7.701 7.083 1.00 16.32 C ATOM 762 CE LYS A 48 8.003 7.714 8.070 1.00 20.04 C ATOM 763 NZ LYS A 48 9.211 7.223 7.400 1.00 23.92 N ATOM 0 H LYS A 48 3.781 6.197 9.045 1.00 10.47 H new ATOM 0 HA LYS A 48 2.843 8.721 7.995 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.539 6.581 6.620 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.304 8.227 6.066 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.502 9.122 7.939 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.522 7.570 8.752 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.750 6.716 6.624 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.022 8.413 6.279 1.00 16.32 H new ATOM 0 HE2 LYS A 48 8.167 8.725 8.444 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.773 7.089 8.932 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 10.007 7.231 8.069 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.051 6.252 7.064 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.433 7.837 6.591 1.00 23.92 H new ATOM 777 N GLN A 49 1.027 7.884 6.440 1.00 8.89 N ATOM 778 CA GLN A 49 0.027 7.556 5.509 1.00 7.18 C ATOM 779 C GLN A 49 0.600 7.911 4.129 1.00 8.23 C ATOM 780 O GLN A 49 0.991 9.012 3.878 1.00 9.70 O ATOM 781 CB GLN A 49 -1.333 8.202 5.816 1.00 11.67 C ATOM 782 CG GLN A 49 -2.522 7.657 5.016 1.00 15.82 C ATOM 783 CD GLN A 49 -3.814 8.419 5.370 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.559 7.969 6.222 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.987 9.617 4.789 1.00 20.67 N ATOM 0 H GLN A 49 0.941 8.839 6.788 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.213 6.494 5.552 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.544 8.075 6.878 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.256 9.274 5.633 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.321 7.749 3.949 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.651 6.595 5.226 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.328 9.940 4.080 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.777 10.204 5.056 1.00 20.67 H new ATOM 794 N LEU A 50 0.814 6.876 3.386 1.00 6.51 N ATOM 795 CA LEU A 50 1.588 6.945 2.141 1.00 7.41 C ATOM 796 C LEU A 50 1.008 7.642 0.865 1.00 8.27 C ATOM 797 O LEU A 50 -0.188 7.442 0.640 1.00 8.34 O ATOM 798 CB LEU A 50 2.197 5.547 1.720 1.00 7.13 C ATOM 799 CG LEU A 50 2.695 4.699 2.883 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.344 3.355 2.296 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.681 5.447 3.852 1.00 9.11 C ATOM 0 H LEU A 50 0.465 5.943 3.606 1.00 6.51 H new ATOM 0 HA LEU A 50 2.340 7.657 2.482 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.439 4.984 1.175 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.024 5.718 1.031 1.00 7.13 H new ATOM 0 HG LEU A 50 1.835 4.462 3.509 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.706 2.737 3.118 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.592 2.804 1.731 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.176 3.609 1.640 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.987 4.772 4.651 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.560 5.773 3.296 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.181 6.315 4.282 1.00 9.11 H new ATOM 813 N GLU A 51 1.787 8.530 0.260 1.00 9.43 N ATOM 814 CA GLU A 51 1.343 9.597 -0.634 1.00 11.90 C ATOM 815 C GLU A 51 1.502 9.106 -2.072 1.00 11.49 C ATOM 816 O GLU A 51 2.605 9.161 -2.612 1.00 9.88 O ATOM 817 CB GLU A 51 2.134 10.809 -0.366 1.00 16.56 C ATOM 818 CG GLU A 51 1.694 12.169 -0.916 1.00 26.06 C ATOM 819 CD GLU A 51 2.570 13.280 -0.353 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.781 13.334 -0.633 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.050 14.077 0.482 1.00 33.44 O ATOM 0 H GLU A 51 2.799 8.527 0.385 1.00 9.43 H new ATOM 0 HA GLU A 51 0.295 9.850 -0.471 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.208 10.910 0.717 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.141 10.623 -0.739 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.756 12.165 -2.004 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.651 12.353 -0.657 1.00 26.06 H new ATOM 828 N ASP A 52 0.339 8.590 -2.657 1.00 12.71 N ATOM 829 CA ASP A 52 0.131 7.983 -3.950 1.00 16.56 C ATOM 830 C ASP A 52 1.256 8.101 -5.013 1.00 15.83 C ATOM 831 O ASP A 52 1.852 7.168 -5.531 1.00 17.21 O ATOM 832 CB ASP A 52 -1.207 8.397 -4.526 1.00 21.05 C ATOM 833 CG ASP A 52 -2.305 8.081 -3.557 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.506 6.886 -3.257 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.034 9.015 -3.101 1.00 25.82 O ATOM 0 H ASP A 52 -0.538 8.618 -2.136 1.00 12.71 H new ATOM 0 HA ASP A 52 0.151 6.919 -3.716 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.202 9.464 -4.746 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.382 7.878 -5.468 1.00 21.05 H new ATOM 840 N GLY A 53 1.615 9.366 -5.303 1.00 15.00 N ATOM 841 CA GLY A 53 2.577 9.712 -6.337 1.00 11.77 C ATOM 842 C GLY A 53 4.044 9.408 -6.106 1.00 11.10 C ATOM 843 O GLY A 53 4.789 9.361 -7.092 1.00 11.25 O ATOM 0 H GLY A 53 1.235 10.176 -4.814 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.275 9.202 -7.252 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.488 10.782 -6.525 1.00 11.77 H new ATOM 847 N ARG A 54 4.431 9.330 -4.823 1.00 8.53 N ATOM 848 CA ARG A 54 5.863 9.043 -4.489 1.00 9.05 C ATOM 849 C ARG A 54 6.220 7.584 -4.838 1.00 8.96 C ATOM 850 O ARG A 54 5.403 6.664 -4.864 1.00 11.60 O ATOM 851 CB ARG A 54 6.138 9.402 -2.999 1.00 7.97 C ATOM 852 CG ARG A 54 5.947 10.869 -2.683 1.00 9.62 C ATOM 853 CD ARG A 54 6.588 11.207 -1.367 1.00 12.20 C ATOM 854 NE ARG A 54 6.471 12.663 -1.102 1.00 18.23 N ATOM 855 CZ ARG A 54 7.459 13.555 -1.368 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.692 13.272 -1.613 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.349 14.826 -1.114 1.00 23.38 N ATOM 0 H ARG A 54 3.814 9.453 -4.020 1.00 8.53 H new ATOM 0 HA ARG A 54 6.517 9.669 -5.096 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.476 8.813 -2.364 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.159 9.115 -2.748 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.383 11.478 -3.475 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.883 11.105 -2.648 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.110 10.644 -0.565 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.638 10.915 -1.379 1.00 12.20 H new ATOM 0 HE ARG A 54 5.602 13.012 -0.698 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.001 12.300 -1.618 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.359 14.020 -1.802 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.492 15.190 -0.697 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.119 15.458 -1.332 1.00 23.38 H new ATOM 871 N THR A 55 7.570 7.335 -4.942 1.00 9.05 N ATOM 872 CA THR A 55 8.192 6.012 -4.955 1.00 9.03 C ATOM 873 C THR A 55 8.370 5.417 -3.562 1.00 8.15 C ATOM 874 O THR A 55 8.431 6.077 -2.549 1.00 5.91 O ATOM 875 CB THR A 55 9.497 5.972 -5.759 1.00 11.15 C ATOM 876 OG1 THR A 55 10.478 6.872 -5.324 1.00 11.95 O ATOM 877 CG2 THR A 55 9.338 6.194 -7.289 1.00 11.71 C ATOM 0 H THR A 55 8.253 8.089 -5.020 1.00 9.05 H new ATOM 0 HA THR A 55 7.481 5.371 -5.477 1.00 9.03 H new ATOM 0 HB THR A 55 9.816 4.947 -5.570 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.315 6.389 -5.159 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.316 6.147 -7.767 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.694 5.419 -7.704 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.892 7.172 -7.470 1.00 11.71 H new ATOM 885 N LEU A 56 8.453 4.065 -3.514 1.00 6.91 N ATOM 886 CA LEU A 56 8.821 3.260 -2.359 1.00 8.29 C ATOM 887 C LEU A 56 10.185 3.595 -1.851 1.00 8.05 C ATOM 888 O LEU A 56 10.357 3.701 -0.643 1.00 10.17 O ATOM 889 CB LEU A 56 8.560 1.714 -2.596 1.00 6.60 C ATOM 890 CG LEU A 56 7.064 1.297 -2.450 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.871 -0.123 -2.993 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.656 1.424 -0.981 1.00 8.64 C ATOM 0 H LEU A 56 8.251 3.491 -4.332 1.00 6.91 H new ATOM 0 HA LEU A 56 8.150 3.527 -1.543 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.906 1.446 -3.594 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.158 1.142 -1.887 1.00 6.60 H new ATOM 0 HG LEU A 56 6.419 1.954 -3.034 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.825 -0.413 -2.890 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.154 -0.152 -4.045 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.497 -0.816 -2.430 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.611 1.135 -0.867 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.282 0.771 -0.372 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.784 2.456 -0.656 1.00 8.64 H new ATOM 904 N SER A 57 11.133 3.842 -2.790 1.00 8.92 N ATOM 905 CA SER A 57 12.529 4.308 -2.556 1.00 9.00 C ATOM 906 C SER A 57 12.535 5.589 -1.722 1.00 9.44 C ATOM 907 O SER A 57 13.418 5.663 -0.809 1.00 10.91 O ATOM 908 CB SER A 57 13.418 4.591 -3.808 1.00 10.32 C ATOM 909 OG SER A 57 12.854 5.443 -4.872 1.00 13.59 O ATOM 0 H SER A 57 10.937 3.716 -3.783 1.00 8.92 H new ATOM 0 HA SER A 57 12.971 3.448 -2.053 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.344 5.053 -3.464 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.686 3.632 -4.253 1.00 10.32 H new ATOM 0 HG SER A 57 13.509 5.542 -5.594 1.00 13.59 H new ATOM 915 N ASP A 58 11.630 6.513 -2.020 1.00 9.11 N ATOM 916 CA ASP A 58 11.602 7.835 -1.334 1.00 7.91 C ATOM 917 C ASP A 58 11.343 7.682 0.174 1.00 9.12 C ATOM 918 O ASP A 58 12.001 8.294 1.054 1.00 8.61 O ATOM 919 CB ASP A 58 10.618 8.769 -1.940 1.00 8.41 C ATOM 920 CG ASP A 58 10.843 10.229 -1.770 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.880 10.725 -2.261 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.054 10.989 -1.171 1.00 11.70 O ATOM 0 H ASP A 58 10.903 6.390 -2.725 1.00 9.11 H new ATOM 0 HA ASP A 58 12.591 8.272 -1.471 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.575 8.560 -3.009 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.637 8.533 -1.529 1.00 8.41 H new ATOM 927 N TYR A 59 10.510 6.675 0.592 1.00 7.97 N ATOM 928 CA TYR A 59 10.115 6.376 2.024 1.00 8.45 C ATOM 929 C TYR A 59 11.169 5.519 2.690 1.00 10.98 C ATOM 930 O TYR A 59 11.309 5.459 3.931 1.00 12.95 O ATOM 931 CB TYR A 59 8.695 5.762 2.089 1.00 7.94 C ATOM 932 CG TYR A 59 7.574 6.694 1.909 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.341 7.729 2.855 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.819 6.733 0.697 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.360 8.618 2.592 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.773 7.614 0.500 1.00 6.52 C ATOM 937 CZ TYR A 59 5.523 8.543 1.472 1.00 6.76 C ATOM 938 OH TYR A 59 4.501 9.475 1.175 1.00 7.63 O ATOM 0 H TYR A 59 10.080 6.028 -0.070 1.00 7.97 H new ATOM 0 HA TYR A 59 10.066 7.308 2.587 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.622 4.987 1.326 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.579 5.270 3.055 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.931 7.802 3.757 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.076 6.047 -0.097 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.212 9.433 3.285 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.171 7.570 -0.395 1.00 6.52 H new ATOM 0 HH TYR A 59 4.749 10.356 1.526 1.00 7.63 H new ATOM 948 N ASN A 60 12.003 4.840 1.898 1.00 12.38 N ATOM 949 CA ASN A 60 13.072 3.861 2.261 1.00 13.94 C ATOM 950 C ASN A 60 12.503 2.479 2.628 1.00 14.16 C ATOM 951 O ASN A 60 13.163 1.659 3.287 1.00 14.26 O ATOM 952 CB ASN A 60 14.046 4.288 3.372 1.00 19.23 C ATOM 953 CG ASN A 60 14.784 5.631 3.067 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.825 5.702 2.426 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.157 6.729 3.530 1.00 24.09 N ATOM 0 H ASN A 60 11.955 4.962 0.886 1.00 12.38 H new ATOM 0 HA ASN A 60 13.652 3.816 1.339 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.497 4.388 4.308 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.785 3.501 3.519 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.548 7.654 3.350 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.291 6.636 4.061 1.00 24.09 H new ATOM 962 N ILE A 61 11.252 2.140 2.167 1.00 11.08 N ATOM 963 CA ILE A 61 10.596 0.845 2.445 1.00 11.78 C ATOM 964 C ILE A 61 11.272 -0.179 1.600 1.00 13.74 C ATOM 965 O ILE A 61 11.354 -0.168 0.353 1.00 14.60 O ATOM 966 CB ILE A 61 9.095 0.826 2.016 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.479 2.037 2.759 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.332 -0.505 2.289 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.005 1.981 2.856 1.00 11.42 C ATOM 0 H ILE A 61 10.685 2.766 1.595 1.00 11.08 H new ATOM 0 HA ILE A 61 10.662 0.661 3.517 1.00 11.78 H new ATOM 0 HB ILE A 61 9.009 0.896 0.932 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.900 2.089 3.763 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.767 2.954 2.244 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.300 -0.408 1.953 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.815 -1.319 1.748 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.347 -0.721 3.357 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.642 2.860 3.388 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.575 1.960 1.855 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.710 1.082 3.397 1.00 11.42 H new ATOM 981 N GLN A 62 11.898 -1.127 2.328 1.00 13.97 N ATOM 982 CA GLN A 62 12.718 -2.128 1.698 1.00 15.52 C ATOM 983 C GLN A 62 12.232 -3.483 2.032 1.00 13.94 C ATOM 984 O GLN A 62 11.379 -3.705 2.885 1.00 12.15 O ATOM 985 CB GLN A 62 14.193 -1.936 2.140 1.00 19.53 C ATOM 986 CG GLN A 62 14.518 -2.154 3.615 1.00 26.38 C ATOM 987 CD GLN A 62 15.947 -1.572 3.810 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.875 -2.363 4.101 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.215 -0.286 3.589 1.00 32.71 N ATOM 0 H GLN A 62 11.839 -1.203 3.343 1.00 13.97 H new ATOM 0 HA GLN A 62 12.659 -2.017 0.615 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.811 -2.617 1.555 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.495 -0.923 1.875 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.796 -1.648 4.256 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.486 -3.213 3.873 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.461 0.359 3.352 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.174 0.054 3.657 1.00 32.71 H new ATOM 998 N LYS A 63 12.612 -4.511 1.289 1.00 11.73 N ATOM 999 CA LYS A 63 12.290 -5.937 1.361 1.00 11.97 C ATOM 1000 C LYS A 63 11.830 -6.464 2.690 1.00 10.41 C ATOM 1001 O LYS A 63 12.437 -6.179 3.723 1.00 9.59 O ATOM 1002 CB LYS A 63 13.400 -6.904 0.870 1.00 13.73 C ATOM 1003 CG LYS A 63 14.737 -7.077 1.707 1.00 16.98 C ATOM 1004 CD LYS A 63 15.783 -7.992 1.029 1.00 20.19 C ATOM 1005 CE LYS A 63 15.562 -9.493 0.942 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.841 -10.158 0.625 1.00 25.97 N ATOM 0 H LYS A 63 13.245 -4.343 0.507 1.00 11.73 H new ATOM 0 HA LYS A 63 11.449 -5.937 0.667 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.949 -7.892 0.774 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.686 -6.586 -0.133 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.180 -6.095 1.873 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.491 -7.486 2.687 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.915 -7.628 0.010 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.729 -7.837 1.548 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.168 -9.869 1.886 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.822 -9.719 0.175 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.692 -11.186 0.565 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.199 -9.806 -0.286 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.534 -9.952 1.372 1.00 25.97 H new ATOM 1020 N GLU A 64 10.725 -7.267 2.660 1.00 10.04 N ATOM 1021 CA GLU A 64 10.183 -7.919 3.876 1.00 10.94 C ATOM 1022 C GLU A 64 9.593 -6.910 4.845 1.00 9.74 C ATOM 1023 O GLU A 64 9.693 -6.944 6.069 1.00 9.42 O ATOM 1024 CB GLU A 64 11.191 -8.867 4.501 1.00 18.31 C ATOM 1025 CG GLU A 64 11.887 -9.876 3.668 1.00 24.16 C ATOM 1026 CD GLU A 64 12.942 -10.587 4.528 1.00 29.00 C ATOM 1027 OE1 GLU A 64 14.034 -10.024 4.717 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.682 -11.735 4.934 1.00 31.72 O ATOM 0 H GLU A 64 10.201 -7.473 1.810 1.00 10.04 H new ATOM 0 HA GLU A 64 9.344 -8.547 3.576 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.959 -8.255 4.975 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.677 -9.405 5.297 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.172 -10.598 3.275 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.360 -9.396 2.811 1.00 24.16 H new ATOM 1035 N SER A 65 8.745 -5.976 4.271 1.00 6.85 N ATOM 1036 CA SER A 65 8.152 -4.909 5.126 1.00 6.90 C ATOM 1037 C SER A 65 6.650 -5.131 5.208 1.00 4.72 C ATOM 1038 O SER A 65 6.028 -5.628 4.217 1.00 3.91 O ATOM 1039 CB SER A 65 8.154 -3.559 4.424 1.00 7.28 C ATOM 1040 OG SER A 65 9.438 -2.943 4.611 1.00 10.56 O ATOM 0 H SER A 65 8.480 -5.949 3.286 1.00 6.85 H new ATOM 0 HA SER A 65 8.713 -4.933 6.060 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.947 -3.686 3.361 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.367 -2.922 4.828 1.00 7.28 H new ATOM 0 HG SER A 65 10.066 -3.286 3.941 1.00 10.56 H new ATOM 1046 N THR A 66 6.065 -4.780 6.354 1.00 4.48 N ATOM 1047 CA THR A 66 4.631 -4.988 6.569 1.00 3.80 C ATOM 1048 C THR A 66 4.002 -3.618 6.634 1.00 4.60 C ATOM 1049 O THR A 66 4.307 -2.747 7.442 1.00 5.33 O ATOM 1050 CB THR A 66 4.304 -5.708 7.909 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.882 -7.008 7.732 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.784 -5.799 8.075 1.00 3.40 C ATOM 0 H THR A 66 6.555 -4.355 7.141 1.00 4.48 H new ATOM 0 HA THR A 66 4.255 -5.615 5.760 1.00 3.80 H new ATOM 0 HB THR A 66 4.687 -5.200 8.794 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.728 -7.547 8.536 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.550 -6.303 9.013 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.358 -4.796 8.086 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.360 -6.363 7.244 1.00 3.40 H new ATOM 1060 N LEU A 67 3.060 -3.425 5.694 1.00 4.17 N ATOM 1061 CA LEU A 67 2.243 -2.251 5.503 1.00 3.85 C ATOM 1062 C LEU A 67 0.842 -2.489 6.038 1.00 3.80 C ATOM 1063 O LEU A 67 0.424 -3.628 6.219 1.00 5.54 O ATOM 1064 CB LEU A 67 1.979 -1.927 4.025 1.00 7.18 C ATOM 1065 CG LEU A 67 3.176 -1.644 3.178 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.025 -1.856 1.703 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.697 -0.298 3.515 1.00 11.66 C ATOM 0 H LEU A 67 2.848 -4.148 5.007 1.00 4.17 H new ATOM 0 HA LEU A 67 2.796 -1.456 6.003 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.440 -2.765 3.584 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.317 -1.062 3.979 1.00 7.18 H new ATOM 0 HG LEU A 67 3.908 -2.411 3.431 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.963 -1.616 1.203 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.767 -2.897 1.510 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.235 -1.209 1.321 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.572 -0.082 2.901 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.926 0.449 3.324 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.977 -0.269 4.568 1.00 11.66 H new ATOM 1079 N HIS A 68 0.094 -1.373 6.324 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.247 -1.516 6.881 1.00 4.17 C ATOM 1081 C HIS A 68 -2.223 -0.858 5.960 1.00 5.32 C ATOM 1082 O HIS A 68 -2.103 0.334 5.641 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.473 -1.015 8.305 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.469 -1.326 9.347 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.860 -0.926 9.242 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.452 -2.181 10.417 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.626 -1.566 10.135 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.866 -2.290 10.910 1.00 16.30 N ATOM 0 H HIS A 68 0.403 -0.412 6.177 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.394 -2.593 6.962 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.574 0.069 8.259 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.431 -1.410 8.644 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.205 -0.237 8.574 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.313 -2.692 10.821 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.701 -1.494 10.203 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.235 -1.619 5.500 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.321 -1.270 4.596 1.00 3.97 C ATOM 1098 C LEU A 69 -5.626 -0.991 5.345 1.00 5.07 C ATOM 1099 O LEU A 69 -6.038 -1.732 6.235 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.596 -2.352 3.511 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.727 -2.088 2.530 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.495 -0.861 1.610 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.896 -3.334 1.649 1.00 9.96 C ATOM 0 H LEU A 69 -3.309 -2.594 5.790 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.980 -0.363 4.097 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.680 -2.495 2.938 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.804 -3.293 4.019 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.616 -1.868 3.122 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.347 -0.742 0.941 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.385 0.035 2.220 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.590 -1.013 1.022 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.703 -3.168 0.936 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.969 -3.527 1.109 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.136 -4.193 2.276 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.269 0.138 4.971 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.563 0.649 5.503 1.00 6.26 C ATOM 1117 C VAL A 70 -8.263 1.167 4.317 1.00 9.22 C ATOM 1118 O VAL A 70 -7.591 1.754 3.500 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.342 1.861 6.426 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.663 2.407 6.945 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.339 1.616 7.611 1.00 8.54 C ATOM 0 H VAL A 70 -5.884 0.752 4.254 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.088 -0.131 6.055 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.864 2.608 5.792 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.473 3.262 7.594 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.283 2.719 6.105 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.181 1.631 7.509 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.248 2.525 8.205 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.710 0.807 8.240 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.362 1.345 7.211 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.585 0.984 4.205 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.354 1.379 3.006 1.00 16.06 C ATOM 1133 C LEU A 71 -11.214 2.627 3.250 1.00 18.09 C ATOM 1134 O LEU A 71 -11.889 2.766 4.276 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.190 0.144 2.493 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.375 -1.113 2.158 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.204 -2.238 1.582 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.100 -0.821 1.307 1.00 19.57 C ATOM 0 H LEU A 71 -10.155 0.560 4.937 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.658 1.669 2.219 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.927 -0.114 3.253 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.742 0.446 1.603 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.017 -1.470 3.124 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.561 -3.092 1.370 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.970 -2.530 2.300 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.679 -1.904 0.660 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.574 -1.755 1.108 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.390 -0.360 0.363 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.444 -0.144 1.855 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.136 3.504 2.241 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.029 4.638 2.250 1.00 25.83 C ATOM 1152 C ARG A 72 -13.443 4.260 1.965 1.00 27.74 C ATOM 1153 O ARG A 72 -13.815 3.392 1.123 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.465 5.760 1.228 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.437 6.861 0.698 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.602 7.880 -0.098 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.465 8.849 -0.812 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.439 9.205 -2.095 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.437 8.853 -2.888 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.248 10.150 -2.515 1.00 35.02 N ATOM 0 H ARG A 72 -10.493 3.447 1.451 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.052 5.058 3.256 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.634 6.265 1.720 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.055 5.240 0.363 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.206 6.419 0.065 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.949 7.350 1.527 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.936 8.415 0.579 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.972 7.354 -0.816 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.177 9.307 -0.243 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.665 8.298 -2.519 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.438 9.137 -3.868 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.887 10.602 -1.861 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.238 10.432 -3.495 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.382 4.868 2.718 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.825 4.608 2.524 1.00 30.76 C ATOM 1176 C LEU A 73 -16.261 5.124 1.166 1.00 32.18 C ATOM 1177 O LEU A 73 -15.963 6.279 0.804 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.766 5.262 3.616 1.00 30.53 C ATOM 1179 CG LEU A 73 -18.338 5.160 3.446 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.867 3.755 3.408 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -19.091 6.016 4.423 1.00 29.11 C ATOM 0 H LEU A 73 -14.171 5.536 3.459 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.934 3.527 2.610 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.511 4.817 4.578 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.511 6.320 3.677 1.00 30.53 H new ATOM 0 HG LEU A 73 -18.526 5.568 2.453 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -19.950 3.777 3.290 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -18.421 3.221 2.569 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.614 3.246 4.338 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -20.162 5.903 4.256 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.848 5.708 5.440 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -18.811 7.060 4.284 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.026 4.298 0.395 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.618 4.656 -0.889 1.00 35.33 C ATOM 1195 C ARG A 74 -18.456 5.958 -0.963 1.00 36.22 C ATOM 1196 O ARG A 74 -19.065 6.372 0.060 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.577 3.515 -1.503 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.965 2.093 -1.453 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.930 0.952 -1.836 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.144 -0.183 -2.498 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.730 -1.248 -1.768 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.903 -1.438 -0.467 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.008 -2.181 -2.378 1.00 41.93 N ATOM 0 H ARG A 74 -17.242 3.341 0.675 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.699 4.799 -1.458 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.521 3.514 -0.958 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.808 3.765 -2.538 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.105 2.061 -2.122 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.592 1.910 -0.445 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.444 0.583 -0.948 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.696 1.323 -2.517 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.930 -0.138 -3.494 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.394 -0.738 0.090 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.546 -2.284 -0.023 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.780 -2.084 -3.368 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.681 -2.995 -1.857 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.452 6.647 -2.151 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.022 8.001 -2.378 1.00 36.07 C ATOM 1219 C GLY A 75 -18.702 9.088 -1.346 1.00 36.16 C ATOM 1220 O GLY A 75 -19.532 9.831 -0.802 1.00 36.26 O ATOM 0 H GLY A 75 -18.037 6.255 -2.996 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.679 8.351 -3.352 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.106 7.903 -2.438 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.383 9.179 -1.040 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.983 10.360 -0.256 1.00 36.19 C ATOM 1226 C GLY A 76 -15.546 10.650 -0.375 1.00 36.20 C ATOM 1227 O GLY A 76 -15.234 11.464 -1.287 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.702 10.047 0.316 1.00 0.00 O ATOM 0 H GLY A 76 -16.648 8.519 -1.295 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.555 11.226 -0.590 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.233 10.199 0.793 1.00 36.19 H new TER 1232 GLY A 76