USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 748 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 ASN : amide:sc= -7.94! C(o=-17!,f=-21!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -6.66! C(o=-17!,f=-15!) USER MOD Set 1.3: A 61 TYR OH : rot 6:sc= -2.01! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 73:sc= 1.01 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.00256 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 20 SER OG : rot 150:sc= -0.549 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.775 K(o=-0.78,f=-3.6!) USER MOD Single : A 26 THR OG1 : rot -50:sc= 1.31 USER MOD Single : A 28 ASN : amide:sc= -0.0302 X(o=-0.03,f=-0.19) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.01) USER MOD Single : A 35 THR OG1 : rot 113:sc= 0.645 USER MOD Single : A 37 MET CE :methyl -128:sc= -1.72! (180deg=-4.43!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.11) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 57 SER OG : rot 180:sc= -0.151 USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.175) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 25:sc= -0.813! USER MOD Single : A 81 GLN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.218 K(o=-0.22,f=-3.4!) USER MOD Single : A 87 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0342) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.682 20.875 7.858 1.00 0.00 N ATOM 2 CA ALA A 1 -5.564 21.991 7.413 1.00 0.00 C ATOM 3 C ALA A 1 -6.822 21.416 6.758 1.00 0.00 C ATOM 4 O ALA A 1 -7.854 21.287 7.384 1.00 0.00 O ATOM 5 CB ALA A 1 -4.814 22.861 6.401 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.827 21.265 8.303 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.191 20.283 8.545 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.412 20.297 7.036 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.847 22.597 8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.458 23.677 6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.917 23.270 6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.531 22.256 5.540 1.00 0.00 H new ATOM 13 N GLU A 2 -6.744 21.070 5.502 1.00 0.00 N ATOM 14 CA GLU A 2 -7.936 20.504 4.811 1.00 0.00 C ATOM 15 C GLU A 2 -7.479 19.514 3.737 1.00 0.00 C ATOM 16 O GLU A 2 -7.032 19.898 2.675 1.00 0.00 O ATOM 17 CB GLU A 2 -8.734 21.636 4.160 1.00 0.00 C ATOM 18 CG GLU A 2 -8.788 22.835 5.109 1.00 0.00 C ATOM 19 CD GLU A 2 -9.510 23.998 4.427 1.00 0.00 C ATOM 20 OE1 GLU A 2 -10.728 23.958 4.365 1.00 0.00 O ATOM 21 OE2 GLU A 2 -8.835 24.910 3.979 1.00 0.00 O ATOM 0 H GLU A 2 -5.907 21.155 4.925 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.566 19.988 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.271 21.926 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.744 21.297 3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.306 22.561 6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.778 23.135 5.390 1.00 0.00 H new ATOM 28 N VAL A 3 -7.588 18.241 4.005 1.00 0.00 N ATOM 29 CA VAL A 3 -7.160 17.228 3.001 1.00 0.00 C ATOM 30 C VAL A 3 -8.321 16.276 2.711 1.00 0.00 C ATOM 31 O VAL A 3 -9.405 16.423 3.239 1.00 0.00 O ATOM 32 CB VAL A 3 -5.974 16.428 3.549 1.00 0.00 C ATOM 33 CG1 VAL A 3 -4.667 17.104 3.133 1.00 0.00 C ATOM 34 CG2 VAL A 3 -6.053 16.366 5.077 1.00 0.00 C ATOM 0 H VAL A 3 -7.955 17.859 4.877 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.863 17.734 2.083 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.006 15.416 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.823 16.535 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.607 17.142 2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.638 18.117 3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.208 15.796 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.025 17.377 5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.983 15.881 5.374 1.00 0.00 H new ATOM 44 N ARG A 4 -8.101 15.299 1.875 1.00 0.00 N ATOM 45 CA ARG A 4 -9.190 14.336 1.550 1.00 0.00 C ATOM 46 C ARG A 4 -9.623 13.611 2.833 1.00 0.00 C ATOM 47 O ARG A 4 -8.792 13.119 3.568 1.00 0.00 O ATOM 48 CB ARG A 4 -8.668 13.311 0.539 1.00 0.00 C ATOM 49 CG ARG A 4 -8.847 13.854 -0.880 1.00 0.00 C ATOM 50 CD ARG A 4 -7.556 14.540 -1.331 1.00 0.00 C ATOM 51 NE ARG A 4 -6.891 13.710 -2.375 1.00 0.00 N ATOM 52 CZ ARG A 4 -5.589 13.643 -2.424 1.00 0.00 C ATOM 53 NH1 ARG A 4 -4.919 13.194 -1.397 1.00 0.00 N ATOM 54 NH2 ARG A 4 -4.955 14.026 -3.499 1.00 0.00 N ATOM 0 H ARG A 4 -7.214 15.126 1.403 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.041 14.869 1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.615 13.101 0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.206 12.369 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.097 13.042 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.676 14.561 -0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.777 15.532 -1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.888 14.677 -0.480 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.454 13.194 -3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.414 12.896 -0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.901 13.142 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.478 14.378 -4.301 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.937 13.973 -3.537 1.00 0.00 H new ATOM 68 N PRO A 5 -10.913 13.566 3.066 1.00 0.00 N ATOM 69 CA PRO A 5 -11.473 12.905 4.258 1.00 0.00 C ATOM 70 C PRO A 5 -11.375 11.360 4.209 1.00 0.00 C ATOM 71 O PRO A 5 -11.211 10.748 5.246 1.00 0.00 O ATOM 72 CB PRO A 5 -12.923 13.402 4.306 1.00 0.00 C ATOM 73 CG PRO A 5 -13.273 13.890 2.882 1.00 0.00 C ATOM 74 CD PRO A 5 -11.930 14.168 2.172 1.00 0.00 C ATOM 0 HA PRO A 5 -10.914 13.155 5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -13.596 12.603 4.617 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.031 14.210 5.029 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -13.848 13.136 2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.886 14.791 2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.904 13.718 1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.763 15.237 2.042 1.00 0.00 H new ATOM 82 N PRO A 6 -11.462 10.751 3.041 1.00 0.00 N ATOM 83 CA PRO A 6 -11.362 9.282 2.932 1.00 0.00 C ATOM 84 C PRO A 6 -9.899 8.847 3.046 1.00 0.00 C ATOM 85 O PRO A 6 -9.020 9.428 2.441 1.00 0.00 O ATOM 86 CB PRO A 6 -11.912 8.978 1.537 1.00 0.00 C ATOM 87 CG PRO A 6 -11.763 10.281 0.722 1.00 0.00 C ATOM 88 CD PRO A 6 -11.664 11.429 1.744 1.00 0.00 C ATOM 0 HA PRO A 6 -11.905 8.756 3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.360 8.162 1.070 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.956 8.669 1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.874 10.245 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.617 10.424 0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.835 12.097 1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.570 12.035 1.749 1.00 0.00 H new ATOM 96 N PHE A 7 -9.628 7.832 3.820 1.00 0.00 N ATOM 97 CA PHE A 7 -8.219 7.369 3.972 1.00 0.00 C ATOM 98 C PHE A 7 -8.150 5.855 3.764 1.00 0.00 C ATOM 99 O PHE A 7 -7.306 5.181 4.320 1.00 0.00 O ATOM 100 CB PHE A 7 -7.722 7.713 5.377 1.00 0.00 C ATOM 101 CG PHE A 7 -8.805 7.403 6.382 1.00 0.00 C ATOM 102 CD1 PHE A 7 -9.141 6.072 6.661 1.00 0.00 C ATOM 103 CD2 PHE A 7 -9.474 8.445 7.037 1.00 0.00 C ATOM 104 CE1 PHE A 7 -10.145 5.784 7.592 1.00 0.00 C ATOM 105 CE2 PHE A 7 -10.478 8.157 7.968 1.00 0.00 C ATOM 106 CZ PHE A 7 -10.813 6.826 8.245 1.00 0.00 C ATOM 0 H PHE A 7 -10.319 7.304 4.353 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.592 7.864 3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.823 7.141 5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.452 8.768 5.431 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.625 5.268 6.157 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.215 9.471 6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -10.404 4.758 7.807 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -10.994 8.961 8.472 1.00 0.00 H new ATOM 0 HZ PHE A 7 -11.588 6.603 8.964 1.00 0.00 H new ATOM 116 N THR A 8 -9.029 5.314 2.966 1.00 0.00 N ATOM 117 CA THR A 8 -9.009 3.844 2.724 1.00 0.00 C ATOM 118 C THR A 8 -7.970 3.521 1.647 1.00 0.00 C ATOM 119 O THR A 8 -8.304 3.109 0.553 1.00 0.00 O ATOM 120 CB THR A 8 -10.392 3.383 2.259 1.00 0.00 C ATOM 121 OG1 THR A 8 -10.559 3.701 0.884 1.00 0.00 O ATOM 122 CG2 THR A 8 -11.471 4.088 3.082 1.00 0.00 C ATOM 0 H THR A 8 -9.760 5.826 2.471 1.00 0.00 H new ATOM 0 HA THR A 8 -8.748 3.326 3.647 1.00 0.00 H new ATOM 0 HB THR A 8 -10.480 2.305 2.396 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.007 3.101 0.340 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.455 3.759 2.750 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.343 3.842 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.385 5.166 2.948 1.00 0.00 H new ATOM 130 N TYR A 9 -6.714 3.707 1.947 1.00 0.00 N ATOM 131 CA TYR A 9 -5.655 3.415 0.941 1.00 0.00 C ATOM 132 C TYR A 9 -5.569 1.904 0.709 1.00 0.00 C ATOM 133 O TYR A 9 -4.867 1.440 -0.167 1.00 0.00 O ATOM 134 CB TYR A 9 -4.304 3.927 1.455 1.00 0.00 C ATOM 135 CG TYR A 9 -4.354 5.430 1.654 1.00 0.00 C ATOM 136 CD1 TYR A 9 -5.509 6.154 1.322 1.00 0.00 C ATOM 137 CD2 TYR A 9 -3.238 6.097 2.172 1.00 0.00 C ATOM 138 CE1 TYR A 9 -5.544 7.541 1.509 1.00 0.00 C ATOM 139 CE2 TYR A 9 -3.274 7.484 2.360 1.00 0.00 C ATOM 140 CZ TYR A 9 -4.427 8.206 2.028 1.00 0.00 C ATOM 141 OH TYR A 9 -4.463 9.573 2.213 1.00 0.00 O ATOM 0 H TYR A 9 -6.375 4.049 2.846 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.902 3.914 0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.055 3.436 2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.517 3.673 0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.371 5.641 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.348 5.541 2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.433 8.098 1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.412 7.997 2.761 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.607 9.876 2.582 1.00 0.00 H new ATOM 151 N ALA A 10 -6.280 1.132 1.486 1.00 0.00 N ATOM 152 CA ALA A 10 -6.236 -0.347 1.306 1.00 0.00 C ATOM 153 C ALA A 10 -6.529 -0.689 -0.157 1.00 0.00 C ATOM 154 O ALA A 10 -5.844 -1.486 -0.767 1.00 0.00 O ATOM 155 CB ALA A 10 -7.291 -1.000 2.201 1.00 0.00 C ATOM 0 H ALA A 10 -6.888 1.461 2.236 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.248 -0.718 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.260 -2.082 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.087 -0.754 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.279 -0.630 1.928 1.00 0.00 H new ATOM 161 N SER A 11 -7.542 -0.092 -0.723 1.00 0.00 N ATOM 162 CA SER A 11 -7.879 -0.382 -2.145 1.00 0.00 C ATOM 163 C SER A 11 -6.906 0.363 -3.063 1.00 0.00 C ATOM 164 O SER A 11 -6.576 -0.099 -4.136 1.00 0.00 O ATOM 165 CB SER A 11 -9.309 0.077 -2.432 1.00 0.00 C ATOM 166 OG SER A 11 -9.466 1.424 -2.002 1.00 0.00 O ATOM 0 H SER A 11 -8.151 0.584 -0.262 1.00 0.00 H new ATOM 0 HA SER A 11 -7.799 -1.454 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.522 -0.004 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.020 -0.567 -1.915 1.00 0.00 H new ATOM 0 HG SER A 11 -10.381 1.722 -2.186 1.00 0.00 H new ATOM 172 N LEU A 12 -6.443 1.510 -2.648 1.00 0.00 N ATOM 173 CA LEU A 12 -5.490 2.279 -3.496 1.00 0.00 C ATOM 174 C LEU A 12 -4.132 1.574 -3.499 1.00 0.00 C ATOM 175 O LEU A 12 -3.455 1.512 -4.507 1.00 0.00 O ATOM 176 CB LEU A 12 -5.330 3.695 -2.935 1.00 0.00 C ATOM 177 CG LEU A 12 -6.510 4.557 -3.387 1.00 0.00 C ATOM 178 CD1 LEU A 12 -7.428 4.835 -2.194 1.00 0.00 C ATOM 179 CD2 LEU A 12 -5.989 5.883 -3.944 1.00 0.00 C ATOM 0 H LEU A 12 -6.684 1.948 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.874 2.336 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.284 3.664 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.393 4.131 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.068 4.029 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.268 5.449 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.800 3.892 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.870 5.362 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.830 6.498 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.431 6.409 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.335 5.689 -4.794 1.00 0.00 H new ATOM 191 N ILE A 13 -3.728 1.039 -2.379 1.00 0.00 N ATOM 192 CA ILE A 13 -2.416 0.336 -2.318 1.00 0.00 C ATOM 193 C ILE A 13 -2.501 -0.967 -3.116 1.00 0.00 C ATOM 194 O ILE A 13 -1.625 -1.286 -3.895 1.00 0.00 O ATOM 195 CB ILE A 13 -2.072 0.023 -0.861 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.967 1.331 -0.073 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.736 -0.717 -0.798 1.00 0.00 C ATOM 198 CD1 ILE A 13 -2.073 1.037 1.424 1.00 0.00 C ATOM 0 H ILE A 13 -4.251 1.059 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.640 0.973 -2.743 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.853 -0.603 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.020 1.824 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.759 2.015 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.492 -0.939 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.809 -1.648 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.047 -0.092 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.998 1.969 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.032 0.563 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.265 0.369 1.722 1.00 0.00 H new ATOM 210 N ARG A 14 -3.551 -1.720 -2.934 1.00 0.00 N ATOM 211 CA ARG A 14 -3.689 -2.997 -3.689 1.00 0.00 C ATOM 212 C ARG A 14 -3.757 -2.691 -5.186 1.00 0.00 C ATOM 213 O ARG A 14 -3.404 -3.508 -6.015 1.00 0.00 O ATOM 214 CB ARG A 14 -4.970 -3.714 -3.255 1.00 0.00 C ATOM 215 CG ARG A 14 -4.911 -5.177 -3.701 1.00 0.00 C ATOM 216 CD ARG A 14 -6.301 -5.803 -3.587 1.00 0.00 C ATOM 217 NE ARG A 14 -7.308 -4.894 -4.204 1.00 0.00 N ATOM 218 CZ ARG A 14 -7.712 -5.101 -5.426 1.00 0.00 C ATOM 219 NH1 ARG A 14 -7.007 -5.851 -6.230 1.00 0.00 N ATOM 220 NH2 ARG A 14 -8.820 -4.558 -5.849 1.00 0.00 N ATOM 0 H ARG A 14 -4.318 -1.507 -2.296 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.831 -3.637 -3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.083 -3.657 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.840 -3.224 -3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.556 -5.240 -4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.201 -5.728 -3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.317 -6.772 -4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.547 -5.979 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.681 -4.109 -3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.139 -6.275 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.324 -6.012 -7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.371 -3.971 -5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.135 -4.721 -6.805 1.00 0.00 H new ATOM 234 N GLN A 15 -4.210 -1.519 -5.541 1.00 0.00 N ATOM 235 CA GLN A 15 -4.303 -1.158 -6.981 1.00 0.00 C ATOM 236 C GLN A 15 -2.898 -1.063 -7.580 1.00 0.00 C ATOM 237 O GLN A 15 -2.556 -1.777 -8.501 1.00 0.00 O ATOM 238 CB GLN A 15 -5.010 0.191 -7.124 1.00 0.00 C ATOM 239 CG GLN A 15 -6.306 0.005 -7.915 1.00 0.00 C ATOM 240 CD GLN A 15 -7.326 1.061 -7.485 1.00 0.00 C ATOM 241 OE1 GLN A 15 -6.999 2.226 -7.370 1.00 0.00 O ATOM 242 NE2 GLN A 15 -8.556 0.701 -7.243 1.00 0.00 N ATOM 0 H GLN A 15 -4.520 -0.795 -4.892 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.870 -1.925 -7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.228 0.606 -6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.360 0.903 -7.633 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.107 0.091 -8.983 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.708 -0.994 -7.745 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.830 -0.277 -7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.244 1.397 -6.957 1.00 0.00 H new ATOM 251 N ALA A 16 -2.082 -0.185 -7.064 1.00 0.00 N ATOM 252 CA ALA A 16 -0.700 -0.044 -7.604 1.00 0.00 C ATOM 253 C ALA A 16 0.038 -1.378 -7.477 1.00 0.00 C ATOM 254 O ALA A 16 0.872 -1.717 -8.292 1.00 0.00 O ATOM 255 CB ALA A 16 0.049 1.030 -6.810 1.00 0.00 C ATOM 0 H ALA A 16 -2.312 0.441 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.748 0.245 -8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.060 1.135 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.476 1.981 -6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.096 0.740 -5.760 1.00 0.00 H new ATOM 261 N ILE A 17 -0.264 -2.135 -6.460 1.00 0.00 N ATOM 262 CA ILE A 17 0.417 -3.447 -6.274 1.00 0.00 C ATOM 263 C ILE A 17 -0.042 -4.425 -7.363 1.00 0.00 C ATOM 264 O ILE A 17 0.742 -5.189 -7.889 1.00 0.00 O ATOM 265 CB ILE A 17 0.068 -4.002 -4.889 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.908 -3.278 -3.833 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.369 -5.502 -4.833 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.256 -3.443 -2.458 1.00 0.00 C ATOM 0 H ILE A 17 -0.955 -1.901 -5.747 1.00 0.00 H new ATOM 0 HA ILE A 17 1.496 -3.316 -6.350 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.993 -3.844 -4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.920 -3.683 -3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.992 -2.220 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.118 -5.887 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.224 -6.021 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.428 -5.668 -5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.855 -2.927 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.747 -3.017 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.195 -4.502 -2.209 1.00 0.00 H new ATOM 280 N LEU A 18 -1.302 -4.410 -7.707 1.00 0.00 N ATOM 281 CA LEU A 18 -1.790 -5.344 -8.761 1.00 0.00 C ATOM 282 C LEU A 18 -1.246 -4.901 -10.124 1.00 0.00 C ATOM 283 O LEU A 18 -1.247 -5.652 -11.079 1.00 0.00 O ATOM 284 CB LEU A 18 -3.330 -5.355 -8.771 1.00 0.00 C ATOM 285 CG LEU A 18 -3.875 -4.268 -9.705 1.00 0.00 C ATOM 286 CD1 LEU A 18 -4.180 -4.878 -11.074 1.00 0.00 C ATOM 287 CD2 LEU A 18 -5.161 -3.685 -9.113 1.00 0.00 C ATOM 0 H LEU A 18 -2.010 -3.795 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.437 -6.354 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.689 -6.332 -9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.706 -5.195 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.132 -3.478 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.568 -4.106 -11.738 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.267 -5.296 -11.498 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.923 -5.667 -10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.549 -2.912 -9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.903 -4.476 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.948 -3.251 -8.136 1.00 0.00 H new ATOM 299 N GLU A 19 -0.782 -3.684 -10.218 1.00 0.00 N ATOM 300 CA GLU A 19 -0.238 -3.191 -11.514 1.00 0.00 C ATOM 301 C GLU A 19 0.889 -4.116 -11.980 1.00 0.00 C ATOM 302 O GLU A 19 1.149 -4.246 -13.160 1.00 0.00 O ATOM 303 CB GLU A 19 0.306 -1.772 -11.332 1.00 0.00 C ATOM 304 CG GLU A 19 0.864 -1.264 -12.663 1.00 0.00 C ATOM 305 CD GLU A 19 2.339 -0.899 -12.490 1.00 0.00 C ATOM 306 OE1 GLU A 19 3.109 -1.779 -12.142 1.00 0.00 O ATOM 307 OE2 GLU A 19 2.673 0.254 -12.707 1.00 0.00 O ATOM 0 H GLU A 19 -0.757 -3.010 -9.452 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.031 -3.182 -12.261 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.486 -1.110 -10.981 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.087 -1.765 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.755 -2.030 -13.431 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.300 -0.394 -12.998 1.00 0.00 H new ATOM 314 N SER A 20 1.558 -4.760 -11.062 1.00 0.00 N ATOM 315 CA SER A 20 2.666 -5.677 -11.452 1.00 0.00 C ATOM 316 C SER A 20 2.084 -7.033 -11.865 1.00 0.00 C ATOM 317 O SER A 20 0.899 -7.265 -11.727 1.00 0.00 O ATOM 318 CB SER A 20 3.614 -5.859 -10.264 1.00 0.00 C ATOM 319 OG SER A 20 3.446 -7.161 -9.714 1.00 0.00 O ATOM 0 H SER A 20 1.385 -4.690 -10.059 1.00 0.00 H new ATOM 0 HA SER A 20 3.217 -5.253 -12.291 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.646 -5.719 -10.585 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.411 -5.104 -9.505 1.00 0.00 H new ATOM 0 HG SER A 20 4.293 -7.463 -9.325 1.00 0.00 H new ATOM 325 N PRO A 21 2.940 -7.891 -12.360 1.00 0.00 N ATOM 326 CA PRO A 21 2.547 -9.239 -12.804 1.00 0.00 C ATOM 327 C PRO A 21 2.363 -10.169 -11.600 1.00 0.00 C ATOM 328 O PRO A 21 1.440 -10.959 -11.550 1.00 0.00 O ATOM 329 CB PRO A 21 3.727 -9.688 -13.672 1.00 0.00 C ATOM 330 CG PRO A 21 4.944 -8.843 -13.227 1.00 0.00 C ATOM 331 CD PRO A 21 4.380 -7.595 -12.521 1.00 0.00 C ATOM 0 HA PRO A 21 1.599 -9.255 -13.342 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.924 -10.752 -13.539 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.512 -9.533 -14.729 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.585 -9.412 -12.554 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.554 -8.560 -14.085 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.863 -7.430 -11.558 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.538 -6.695 -13.116 1.00 0.00 H new ATOM 339 N GLU A 22 3.232 -10.082 -10.630 1.00 0.00 N ATOM 340 CA GLU A 22 3.107 -10.957 -9.435 1.00 0.00 C ATOM 341 C GLU A 22 2.336 -10.218 -8.338 1.00 0.00 C ATOM 342 O GLU A 22 2.288 -10.643 -7.202 1.00 0.00 O ATOM 343 CB GLU A 22 4.502 -11.328 -8.926 1.00 0.00 C ATOM 344 CG GLU A 22 5.353 -11.825 -10.097 1.00 0.00 C ATOM 345 CD GLU A 22 6.433 -12.776 -9.577 1.00 0.00 C ATOM 346 OE1 GLU A 22 6.239 -13.335 -8.511 1.00 0.00 O ATOM 347 OE2 GLU A 22 7.435 -12.930 -10.256 1.00 0.00 O ATOM 0 H GLU A 22 4.025 -9.440 -10.616 1.00 0.00 H new ATOM 0 HA GLU A 22 2.568 -11.865 -9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.974 -10.463 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.429 -12.101 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.724 -12.336 -10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.814 -10.980 -10.610 1.00 0.00 H new ATOM 354 N LYS A 23 1.718 -9.122 -8.676 1.00 0.00 N ATOM 355 CA LYS A 23 0.938 -8.352 -7.683 1.00 0.00 C ATOM 356 C LYS A 23 1.773 -8.099 -6.425 1.00 0.00 C ATOM 357 O LYS A 23 1.251 -7.992 -5.332 1.00 0.00 O ATOM 358 CB LYS A 23 -0.324 -9.126 -7.332 1.00 0.00 C ATOM 359 CG LYS A 23 -0.772 -9.970 -8.529 1.00 0.00 C ATOM 360 CD LYS A 23 -0.283 -11.410 -8.352 1.00 0.00 C ATOM 361 CE LYS A 23 -1.453 -12.376 -8.549 1.00 0.00 C ATOM 362 NZ LYS A 23 -0.996 -13.769 -8.282 1.00 0.00 N ATOM 0 H LYS A 23 1.724 -8.725 -9.616 1.00 0.00 H new ATOM 0 HA LYS A 23 0.666 -7.386 -8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.138 -9.770 -6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.117 -8.435 -7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.859 -9.952 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.373 -9.550 -9.453 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.507 -11.628 -9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.146 -11.540 -7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.271 -12.115 -7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.837 -12.296 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.791 -14.427 -8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.229 -14.015 -8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.649 -13.839 -7.304 1.00 0.00 H new ATOM 376 N GLN A 24 3.061 -7.985 -6.581 1.00 0.00 N ATOM 377 CA GLN A 24 3.951 -7.718 -5.420 1.00 0.00 C ATOM 378 C GLN A 24 4.747 -6.441 -5.697 1.00 0.00 C ATOM 379 O GLN A 24 5.157 -6.198 -6.814 1.00 0.00 O ATOM 380 CB GLN A 24 4.926 -8.881 -5.252 1.00 0.00 C ATOM 381 CG GLN A 24 4.256 -10.192 -5.662 1.00 0.00 C ATOM 382 CD GLN A 24 4.976 -11.362 -4.989 1.00 0.00 C ATOM 383 OE1 GLN A 24 4.354 -12.187 -4.350 1.00 0.00 O ATOM 384 NE2 GLN A 24 6.271 -11.467 -5.104 1.00 0.00 N ATOM 0 H GLN A 24 3.541 -8.067 -7.477 1.00 0.00 H new ATOM 0 HA GLN A 24 3.355 -7.605 -4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.814 -8.712 -5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.257 -8.941 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.205 -10.182 -5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.287 -10.306 -6.746 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.793 -10.774 -5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.761 -12.242 -4.657 1.00 0.00 H new ATOM 393 N LEU A 25 4.973 -5.614 -4.709 1.00 0.00 N ATOM 394 CA LEU A 25 5.741 -4.375 -4.984 1.00 0.00 C ATOM 395 C LEU A 25 6.625 -3.984 -3.799 1.00 0.00 C ATOM 396 O LEU A 25 6.210 -4.018 -2.661 1.00 0.00 O ATOM 397 CB LEU A 25 4.773 -3.236 -5.300 1.00 0.00 C ATOM 398 CG LEU A 25 4.682 -3.049 -6.814 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.799 -1.839 -7.128 1.00 0.00 C ATOM 400 CD2 LEU A 25 6.084 -2.818 -7.382 1.00 0.00 C ATOM 0 H LEU A 25 4.665 -5.743 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 25 6.391 -4.563 -5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.788 -3.458 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.114 -2.314 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 25 4.248 -3.941 -7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.734 -1.706 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.801 -2.002 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.232 -0.946 -6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.022 -2.684 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.517 -1.925 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.713 -3.679 -7.159 1.00 0.00 H new ATOM 412 N THR A 26 7.849 -3.610 -4.062 1.00 0.00 N ATOM 413 CA THR A 26 8.766 -3.217 -2.954 1.00 0.00 C ATOM 414 C THR A 26 8.230 -1.963 -2.261 1.00 0.00 C ATOM 415 O THR A 26 7.448 -1.218 -2.818 1.00 0.00 O ATOM 416 CB THR A 26 10.158 -2.931 -3.521 1.00 0.00 C ATOM 417 OG1 THR A 26 10.142 -1.689 -4.211 1.00 0.00 O ATOM 418 CG2 THR A 26 10.556 -4.049 -4.488 1.00 0.00 C ATOM 0 H THR A 26 8.253 -3.560 -4.997 1.00 0.00 H new ATOM 0 HA THR A 26 8.827 -4.030 -2.231 1.00 0.00 H new ATOM 0 HB THR A 26 10.880 -2.884 -2.706 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.389 -1.673 -4.838 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.548 -3.845 -4.892 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.569 -5.001 -3.958 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.835 -4.098 -5.304 1.00 0.00 H new ATOM 426 N LEU A 27 8.645 -1.727 -1.047 1.00 0.00 N ATOM 427 CA LEU A 27 8.163 -0.524 -0.313 1.00 0.00 C ATOM 428 C LEU A 27 8.486 0.734 -1.124 1.00 0.00 C ATOM 429 O LEU A 27 7.704 1.661 -1.185 1.00 0.00 O ATOM 430 CB LEU A 27 8.861 -0.447 1.048 1.00 0.00 C ATOM 431 CG LEU A 27 8.673 -1.768 1.795 1.00 0.00 C ATOM 432 CD1 LEU A 27 9.954 -2.600 1.693 1.00 0.00 C ATOM 433 CD2 LEU A 27 8.369 -1.481 3.267 1.00 0.00 C ATOM 0 H LEU A 27 9.298 -2.317 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 27 7.085 -0.594 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.923 -0.242 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.450 0.375 1.633 1.00 0.00 H new ATOM 0 HG LEU A 27 7.845 -2.321 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.820 -3.542 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.173 -2.804 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.783 -2.048 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.235 -2.422 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.198 -0.928 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.457 -0.888 3.341 1.00 0.00 H new ATOM 445 N ASN A 28 9.632 0.773 -1.746 1.00 0.00 N ATOM 446 CA ASN A 28 10.006 1.969 -2.551 1.00 0.00 C ATOM 447 C ASN A 28 8.947 2.213 -3.629 1.00 0.00 C ATOM 448 O ASN A 28 8.386 3.286 -3.731 1.00 0.00 O ATOM 449 CB ASN A 28 11.363 1.731 -3.216 1.00 0.00 C ATOM 450 CG ASN A 28 12.176 3.027 -3.201 1.00 0.00 C ATOM 451 OD1 ASN A 28 12.391 3.612 -2.159 1.00 0.00 O ATOM 452 ND2 ASN A 28 12.642 3.503 -4.324 1.00 0.00 N ATOM 0 H ASN A 28 10.327 0.026 -1.731 1.00 0.00 H new ATOM 0 HA ASN A 28 10.067 2.840 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.904 0.944 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.222 1.390 -4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.186 4.366 -4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.462 3.012 -5.200 1.00 0.00 H new ATOM 459 N GLU A 29 8.669 1.224 -4.434 1.00 0.00 N ATOM 460 CA GLU A 29 7.649 1.399 -5.505 1.00 0.00 C ATOM 461 C GLU A 29 6.333 1.880 -4.886 1.00 0.00 C ATOM 462 O GLU A 29 5.682 2.767 -5.400 1.00 0.00 O ATOM 463 CB GLU A 29 7.422 0.063 -6.216 1.00 0.00 C ATOM 464 CG GLU A 29 8.454 -0.103 -7.335 1.00 0.00 C ATOM 465 CD GLU A 29 9.036 -1.518 -7.290 1.00 0.00 C ATOM 466 OE1 GLU A 29 8.830 -2.192 -6.294 1.00 0.00 O ATOM 467 OE2 GLU A 29 9.679 -1.904 -8.253 1.00 0.00 O ATOM 0 H GLU A 29 9.105 0.302 -4.396 1.00 0.00 H new ATOM 0 HA GLU A 29 8.001 2.138 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.506 -0.758 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.414 0.025 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.988 0.079 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.250 0.633 -7.221 1.00 0.00 H new ATOM 474 N ILE A 30 5.937 1.301 -3.784 1.00 0.00 N ATOM 475 CA ILE A 30 4.664 1.729 -3.136 1.00 0.00 C ATOM 476 C ILE A 30 4.754 3.213 -2.770 1.00 0.00 C ATOM 477 O ILE A 30 3.836 3.975 -3.000 1.00 0.00 O ATOM 478 CB ILE A 30 4.433 0.900 -1.871 1.00 0.00 C ATOM 479 CG1 ILE A 30 4.009 -0.517 -2.263 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.331 1.543 -1.026 1.00 0.00 C ATOM 481 CD1 ILE A 30 3.754 -1.343 -1.001 1.00 0.00 C ATOM 0 H ILE A 30 6.438 0.552 -3.306 1.00 0.00 H new ATOM 0 HA ILE A 30 3.833 1.576 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 30 5.356 0.861 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.108 -0.482 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.786 -0.986 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.170 0.950 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.630 2.553 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.407 1.585 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.452 -2.352 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.666 -1.389 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.962 -0.877 -0.415 1.00 0.00 H new ATOM 493 N TYR A 31 5.851 3.628 -2.200 1.00 0.00 N ATOM 494 CA TYR A 31 5.998 5.061 -1.819 1.00 0.00 C ATOM 495 C TYR A 31 6.253 5.897 -3.077 1.00 0.00 C ATOM 496 O TYR A 31 5.662 6.942 -3.270 1.00 0.00 O ATOM 497 CB TYR A 31 7.178 5.208 -0.851 1.00 0.00 C ATOM 498 CG TYR A 31 7.585 6.661 -0.752 1.00 0.00 C ATOM 499 CD1 TYR A 31 6.614 7.648 -0.542 1.00 0.00 C ATOM 500 CD2 TYR A 31 8.933 7.020 -0.870 1.00 0.00 C ATOM 501 CE1 TYR A 31 6.991 8.993 -0.452 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.310 8.365 -0.781 1.00 0.00 C ATOM 503 CZ TYR A 31 8.339 9.351 -0.572 1.00 0.00 C ATOM 504 OH TYR A 31 8.711 10.678 -0.483 1.00 0.00 O ATOM 0 H TYR A 31 6.653 3.036 -1.981 1.00 0.00 H new ATOM 0 HA TYR A 31 5.086 5.409 -1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.901 4.831 0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.020 4.608 -1.197 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.574 7.371 -0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.682 6.259 -1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.242 9.754 -0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.350 8.642 -0.874 1.00 0.00 H new ATOM 0 HH TYR A 31 9.683 10.753 -0.586 1.00 0.00 H new ATOM 514 N ASN A 32 7.128 5.447 -3.933 1.00 0.00 N ATOM 515 CA ASN A 32 7.421 6.217 -5.176 1.00 0.00 C ATOM 516 C ASN A 32 6.113 6.543 -5.902 1.00 0.00 C ATOM 517 O ASN A 32 5.865 7.671 -6.278 1.00 0.00 O ATOM 518 CB ASN A 32 8.315 5.380 -6.093 1.00 0.00 C ATOM 519 CG ASN A 32 9.759 5.425 -5.588 1.00 0.00 C ATOM 520 OD1 ASN A 32 10.682 5.155 -6.331 1.00 0.00 O ATOM 521 ND2 ASN A 32 9.997 5.753 -4.347 1.00 0.00 N ATOM 0 H ASN A 32 7.653 4.579 -3.826 1.00 0.00 H new ATOM 0 HA ASN A 32 7.930 7.145 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.961 4.349 -6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.264 5.761 -7.113 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.957 5.782 -4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.223 5.980 -3.722 1.00 0.00 H new ATOM 528 N TRP A 33 5.277 5.561 -6.110 1.00 0.00 N ATOM 529 CA TRP A 33 3.993 5.812 -6.819 1.00 0.00 C ATOM 530 C TRP A 33 3.085 6.697 -5.961 1.00 0.00 C ATOM 531 O TRP A 33 2.416 7.580 -6.458 1.00 0.00 O ATOM 532 CB TRP A 33 3.291 4.480 -7.092 1.00 0.00 C ATOM 533 CG TRP A 33 1.937 4.744 -7.669 1.00 0.00 C ATOM 534 CD1 TRP A 33 1.677 4.936 -8.983 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.658 4.851 -6.978 1.00 0.00 C ATOM 536 NE1 TRP A 33 0.320 5.152 -9.143 1.00 0.00 N ATOM 537 CE2 TRP A 33 -0.351 5.110 -7.935 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.280 4.750 -5.627 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.687 5.263 -7.567 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -1.065 4.903 -5.252 1.00 0.00 C ATOM 541 CH2 TRP A 33 -2.047 5.160 -6.220 1.00 0.00 C ATOM 0 H TRP A 33 5.430 4.596 -5.818 1.00 0.00 H new ATOM 0 HA TRP A 33 4.201 6.318 -7.762 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.882 3.879 -7.783 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.200 3.908 -6.169 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.409 4.923 -9.777 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.130 5.322 -10.042 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.028 4.554 -4.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.439 5.460 -8.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.345 4.822 -4.212 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.079 5.278 -5.925 1.00 0.00 H new ATOM 552 N PHE A 34 3.049 6.464 -4.677 1.00 0.00 N ATOM 553 CA PHE A 34 2.175 7.291 -3.797 1.00 0.00 C ATOM 554 C PHE A 34 2.404 8.777 -4.086 1.00 0.00 C ATOM 555 O PHE A 34 1.480 9.510 -4.380 1.00 0.00 O ATOM 556 CB PHE A 34 2.507 7.003 -2.331 1.00 0.00 C ATOM 557 CG PHE A 34 1.333 6.315 -1.675 1.00 0.00 C ATOM 558 CD1 PHE A 34 0.935 5.046 -2.111 1.00 0.00 C ATOM 559 CD2 PHE A 34 0.644 6.946 -0.632 1.00 0.00 C ATOM 560 CE1 PHE A 34 -0.153 4.407 -1.503 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.443 6.307 -0.025 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.842 5.038 -0.460 1.00 0.00 C ATOM 0 H PHE A 34 3.585 5.739 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 34 1.132 7.042 -3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.395 6.374 -2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.736 7.932 -1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.466 4.560 -2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.951 7.925 -0.296 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.461 3.428 -1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.974 6.793 0.780 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.681 4.546 0.009 1.00 0.00 H new ATOM 572 N THR A 35 3.624 9.231 -3.999 1.00 0.00 N ATOM 573 CA THR A 35 3.906 10.671 -4.265 1.00 0.00 C ATOM 574 C THR A 35 3.704 10.974 -5.753 1.00 0.00 C ATOM 575 O THR A 35 3.150 11.992 -6.118 1.00 0.00 O ATOM 576 CB THR A 35 5.353 10.987 -3.873 1.00 0.00 C ATOM 577 OG1 THR A 35 5.466 10.985 -2.456 1.00 0.00 O ATOM 578 CG2 THR A 35 5.746 12.362 -4.416 1.00 0.00 C ATOM 0 H THR A 35 4.438 8.667 -3.755 1.00 0.00 H new ATOM 0 HA THR A 35 3.224 11.285 -3.677 1.00 0.00 H new ATOM 0 HB THR A 35 6.017 10.232 -4.294 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.024 10.230 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.776 12.583 -4.135 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.658 12.363 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.085 13.121 -3.998 1.00 0.00 H new ATOM 586 N ARG A 36 4.153 10.103 -6.613 1.00 0.00 N ATOM 587 CA ARG A 36 3.994 10.344 -8.076 1.00 0.00 C ATOM 588 C ARG A 36 2.522 10.608 -8.405 1.00 0.00 C ATOM 589 O ARG A 36 2.199 11.487 -9.180 1.00 0.00 O ATOM 590 CB ARG A 36 4.473 9.114 -8.847 1.00 0.00 C ATOM 591 CG ARG A 36 5.275 9.557 -10.072 1.00 0.00 C ATOM 592 CD ARG A 36 6.756 9.240 -9.855 1.00 0.00 C ATOM 593 NE ARG A 36 7.590 10.229 -10.594 1.00 0.00 N ATOM 594 CZ ARG A 36 7.869 10.038 -11.854 1.00 0.00 C ATOM 595 NH1 ARG A 36 7.147 9.216 -12.565 1.00 0.00 N ATOM 596 NH2 ARG A 36 8.870 10.669 -12.403 1.00 0.00 N ATOM 0 H ARG A 36 4.624 9.233 -6.366 1.00 0.00 H new ATOM 0 HA ARG A 36 4.586 11.213 -8.363 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.090 8.486 -8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.619 8.511 -9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.910 9.046 -10.963 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.142 10.626 -10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.993 9.271 -8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.977 8.231 -10.202 1.00 0.00 H new ATOM 0 HE ARG A 36 7.943 11.057 -10.114 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.364 8.723 -12.136 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.365 9.067 -13.550 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.434 11.312 -11.847 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.088 10.520 -13.388 1.00 0.00 H new ATOM 610 N MET A 37 1.628 9.853 -7.830 1.00 0.00 N ATOM 611 CA MET A 37 0.181 10.058 -8.121 1.00 0.00 C ATOM 612 C MET A 37 -0.331 11.284 -7.361 1.00 0.00 C ATOM 613 O MET A 37 -1.320 11.885 -7.732 1.00 0.00 O ATOM 614 CB MET A 37 -0.608 8.822 -7.684 1.00 0.00 C ATOM 615 CG MET A 37 -2.051 8.937 -8.180 1.00 0.00 C ATOM 616 SD MET A 37 -2.151 8.337 -9.884 1.00 0.00 S ATOM 617 CE MET A 37 -1.879 9.930 -10.698 1.00 0.00 C ATOM 0 H MET A 37 1.836 9.103 -7.171 1.00 0.00 H new ATOM 0 HA MET A 37 0.049 10.216 -9.191 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.145 7.921 -8.086 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.591 8.732 -6.598 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.715 8.357 -7.539 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.384 9.974 -8.128 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.670 10.105 -11.428 1.00 0.00 H new ATOM 0 HE2 MET A 37 -1.889 10.726 -9.953 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.914 9.920 -11.204 1.00 0.00 H new ATOM 627 N PHE A 38 0.327 11.659 -6.299 1.00 0.00 N ATOM 628 CA PHE A 38 -0.134 12.844 -5.521 1.00 0.00 C ATOM 629 C PHE A 38 1.077 13.680 -5.084 1.00 0.00 C ATOM 630 O PHE A 38 1.947 13.185 -4.395 1.00 0.00 O ATOM 631 CB PHE A 38 -0.892 12.368 -4.280 1.00 0.00 C ATOM 632 CG PHE A 38 -1.783 11.208 -4.651 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.963 11.435 -5.370 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.430 9.906 -4.278 1.00 0.00 C ATOM 635 CE1 PHE A 38 -3.790 10.359 -5.716 1.00 0.00 C ATOM 636 CE2 PHE A 38 -2.257 8.830 -4.623 1.00 0.00 C ATOM 637 CZ PHE A 38 -3.437 9.057 -5.343 1.00 0.00 C ATOM 0 H PHE A 38 1.162 11.198 -5.937 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.788 13.454 -6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.188 12.067 -3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.489 13.183 -3.870 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.235 12.440 -5.658 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.520 9.731 -3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.700 10.534 -6.271 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.985 7.825 -4.334 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.074 8.227 -5.610 1.00 0.00 H new ATOM 647 N PRO A 39 1.099 14.926 -5.493 1.00 0.00 N ATOM 648 CA PRO A 39 2.194 15.855 -5.151 1.00 0.00 C ATOM 649 C PRO A 39 2.008 16.433 -3.741 1.00 0.00 C ATOM 650 O PRO A 39 2.514 17.492 -3.429 1.00 0.00 O ATOM 651 CB PRO A 39 2.062 16.960 -6.201 1.00 0.00 C ATOM 652 CG PRO A 39 0.598 16.917 -6.703 1.00 0.00 C ATOM 653 CD PRO A 39 0.048 15.524 -6.341 1.00 0.00 C ATOM 0 HA PRO A 39 3.171 15.372 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.296 17.934 -5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.759 16.799 -7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.005 17.702 -6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.553 17.084 -7.779 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.900 15.597 -5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.133 14.924 -7.233 1.00 0.00 H new ATOM 661 N TYR A 40 1.288 15.755 -2.885 1.00 0.00 N ATOM 662 CA TYR A 40 1.082 16.283 -1.506 1.00 0.00 C ATOM 663 C TYR A 40 1.783 15.370 -0.495 1.00 0.00 C ATOM 664 O TYR A 40 2.062 15.764 0.621 1.00 0.00 O ATOM 665 CB TYR A 40 -0.414 16.327 -1.194 1.00 0.00 C ATOM 666 CG TYR A 40 -0.617 16.856 0.204 1.00 0.00 C ATOM 667 CD1 TYR A 40 -0.559 15.983 1.298 1.00 0.00 C ATOM 668 CD2 TYR A 40 -0.864 18.219 0.410 1.00 0.00 C ATOM 669 CE1 TYR A 40 -0.745 16.473 2.596 1.00 0.00 C ATOM 670 CE2 TYR A 40 -1.051 18.709 1.708 1.00 0.00 C ATOM 671 CZ TYR A 40 -0.991 17.836 2.801 1.00 0.00 C ATOM 672 OH TYR A 40 -1.176 18.318 4.082 1.00 0.00 O ATOM 0 H TYR A 40 0.836 14.862 -3.081 1.00 0.00 H new ATOM 0 HA TYR A 40 1.499 17.288 -1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.929 16.963 -1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.845 15.330 -1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.371 14.931 1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.910 18.893 -0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.699 15.800 3.439 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.242 19.760 1.866 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.335 19.284 4.048 1.00 0.00 H new ATOM 682 N PHE A 41 2.063 14.152 -0.871 1.00 0.00 N ATOM 683 CA PHE A 41 2.737 13.212 0.072 1.00 0.00 C ATOM 684 C PHE A 41 4.219 13.576 0.197 1.00 0.00 C ATOM 685 O PHE A 41 4.947 12.992 0.974 1.00 0.00 O ATOM 686 CB PHE A 41 2.603 11.781 -0.454 1.00 0.00 C ATOM 687 CG PHE A 41 1.288 11.198 0.009 1.00 0.00 C ATOM 688 CD1 PHE A 41 1.076 10.942 1.369 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.281 10.914 -0.922 1.00 0.00 C ATOM 690 CE1 PHE A 41 -0.143 10.404 1.799 1.00 0.00 C ATOM 691 CE2 PHE A 41 -0.937 10.374 -0.492 1.00 0.00 C ATOM 692 CZ PHE A 41 -1.149 10.119 0.868 1.00 0.00 C ATOM 0 H PHE A 41 1.854 13.766 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 41 2.267 13.286 1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.653 11.776 -1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.431 11.170 -0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.853 11.160 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.444 11.111 -1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.307 10.209 2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.713 10.154 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.089 9.702 1.199 1.00 0.00 H new ATOM 702 N ARG A 42 4.672 14.539 -0.559 1.00 0.00 N ATOM 703 CA ARG A 42 6.107 14.939 -0.482 1.00 0.00 C ATOM 704 C ARG A 42 6.315 15.913 0.683 1.00 0.00 C ATOM 705 O ARG A 42 7.315 16.599 0.756 1.00 0.00 O ATOM 706 CB ARG A 42 6.513 15.622 -1.790 1.00 0.00 C ATOM 707 CG ARG A 42 5.880 17.014 -1.858 1.00 0.00 C ATOM 708 CD ARG A 42 5.256 17.226 -3.239 1.00 0.00 C ATOM 709 NE ARG A 42 6.263 16.911 -4.292 1.00 0.00 N ATOM 710 CZ ARG A 42 7.254 17.730 -4.514 1.00 0.00 C ATOM 711 NH1 ARG A 42 7.043 19.018 -4.554 1.00 0.00 N ATOM 712 NH2 ARG A 42 8.459 17.262 -4.697 1.00 0.00 N ATOM 0 H ARG A 42 4.110 15.067 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 42 6.719 14.051 -0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.598 15.701 -1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.190 15.022 -2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.119 17.117 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.634 17.777 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.380 16.588 -3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.916 18.257 -3.342 1.00 0.00 H new ATOM 0 HE ARG A 42 6.177 16.055 -4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.102 19.385 -4.412 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.819 19.657 -4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.626 16.256 -4.666 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.234 17.902 -4.871 1.00 0.00 H new ATOM 726 N ARG A 43 5.381 15.986 1.593 1.00 0.00 N ATOM 727 CA ARG A 43 5.537 16.921 2.743 1.00 0.00 C ATOM 728 C ARG A 43 5.112 16.220 4.036 1.00 0.00 C ATOM 729 O ARG A 43 5.903 16.020 4.935 1.00 0.00 O ATOM 730 CB ARG A 43 4.656 18.152 2.522 1.00 0.00 C ATOM 731 CG ARG A 43 5.513 19.309 2.003 1.00 0.00 C ATOM 732 CD ARG A 43 5.734 20.321 3.128 1.00 0.00 C ATOM 733 NE ARG A 43 7.189 20.609 3.256 1.00 0.00 N ATOM 734 CZ ARG A 43 7.639 21.809 3.017 1.00 0.00 C ATOM 735 NH1 ARG A 43 7.109 22.837 3.622 1.00 0.00 N ATOM 736 NH2 ARG A 43 8.619 21.983 2.174 1.00 0.00 N ATOM 0 H ARG A 43 4.519 15.440 1.590 1.00 0.00 H new ATOM 0 HA ARG A 43 6.580 17.227 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.865 17.923 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.170 18.436 3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.471 18.934 1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.021 19.790 1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.187 21.240 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.346 19.927 4.067 1.00 0.00 H new ATOM 0 HE ARG A 43 7.834 19.868 3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.343 22.701 4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.461 23.776 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.034 21.180 1.701 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.971 22.922 1.987 1.00 0.00 H new ATOM 750 N ASN A 44 3.865 15.847 4.136 1.00 0.00 N ATOM 751 CA ASN A 44 3.387 15.162 5.368 1.00 0.00 C ATOM 752 C ASN A 44 3.456 13.648 5.166 1.00 0.00 C ATOM 753 O ASN A 44 2.478 13.014 4.823 1.00 0.00 O ATOM 754 CB ASN A 44 1.940 15.573 5.647 1.00 0.00 C ATOM 755 CG ASN A 44 1.887 16.449 6.899 1.00 0.00 C ATOM 756 OD1 ASN A 44 1.325 16.061 7.904 1.00 0.00 O ATOM 757 ND2 ASN A 44 2.453 17.626 6.882 1.00 0.00 N ATOM 0 H ASN A 44 3.157 15.988 3.416 1.00 0.00 H new ATOM 0 HA ASN A 44 4.016 15.446 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.535 16.116 4.793 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.320 14.687 5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.423 18.218 7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.925 17.953 6.039 1.00 0.00 H new ATOM 764 N ALA A 45 4.603 13.063 5.374 1.00 0.00 N ATOM 765 CA ALA A 45 4.726 11.592 5.190 1.00 0.00 C ATOM 766 C ALA A 45 4.980 10.927 6.543 1.00 0.00 C ATOM 767 O ALA A 45 5.327 9.765 6.619 1.00 0.00 O ATOM 768 CB ALA A 45 5.892 11.292 4.246 1.00 0.00 C ATOM 0 H ALA A 45 5.458 13.539 5.663 1.00 0.00 H new ATOM 0 HA ALA A 45 3.803 11.201 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.983 10.214 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.710 11.765 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.816 11.683 4.673 1.00 0.00 H new ATOM 774 N ALA A 46 4.807 11.654 7.610 1.00 0.00 N ATOM 775 CA ALA A 46 5.038 11.063 8.959 1.00 0.00 C ATOM 776 C ALA A 46 3.737 10.434 9.465 1.00 0.00 C ATOM 777 O ALA A 46 3.747 9.561 10.310 1.00 0.00 O ATOM 778 CB ALA A 46 5.486 12.160 9.927 1.00 0.00 C ATOM 0 H ALA A 46 4.516 12.632 7.608 1.00 0.00 H new ATOM 0 HA ALA A 46 5.812 10.299 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.655 11.728 10.913 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.410 12.610 9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.712 12.925 9.994 1.00 0.00 H new ATOM 784 N THR A 47 2.618 10.879 8.963 1.00 0.00 N ATOM 785 CA THR A 47 1.315 10.319 9.423 1.00 0.00 C ATOM 786 C THR A 47 0.904 9.125 8.550 1.00 0.00 C ATOM 787 O THR A 47 0.497 8.095 9.050 1.00 0.00 O ATOM 788 CB THR A 47 0.243 11.406 9.330 1.00 0.00 C ATOM 789 OG1 THR A 47 0.757 12.619 9.864 1.00 0.00 O ATOM 790 CG2 THR A 47 -0.994 10.981 10.123 1.00 0.00 C ATOM 0 H THR A 47 2.549 11.608 8.253 1.00 0.00 H new ATOM 0 HA THR A 47 1.419 9.980 10.454 1.00 0.00 H new ATOM 0 HB THR A 47 -0.034 11.554 8.286 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.073 13.318 9.804 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.755 11.758 10.054 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.387 10.051 9.713 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.722 10.831 11.168 1.00 0.00 H new ATOM 798 N TRP A 48 0.983 9.258 7.252 1.00 0.00 N ATOM 799 CA TRP A 48 0.567 8.132 6.361 1.00 0.00 C ATOM 800 C TRP A 48 1.557 6.962 6.471 1.00 0.00 C ATOM 801 O TRP A 48 1.162 5.816 6.546 1.00 0.00 O ATOM 802 CB TRP A 48 0.464 8.633 4.910 1.00 0.00 C ATOM 803 CG TRP A 48 1.788 8.591 4.218 1.00 0.00 C ATOM 804 CD1 TRP A 48 2.469 9.680 3.807 1.00 0.00 C ATOM 805 CD2 TRP A 48 2.587 7.437 3.821 1.00 0.00 C ATOM 806 NE1 TRP A 48 3.645 9.276 3.204 1.00 0.00 N ATOM 807 CE2 TRP A 48 3.762 7.902 3.185 1.00 0.00 C ATOM 808 CE3 TRP A 48 2.414 6.047 3.956 1.00 0.00 C ATOM 809 CZ2 TRP A 48 4.730 7.023 2.699 1.00 0.00 C ATOM 810 CZ3 TRP A 48 3.387 5.159 3.466 1.00 0.00 C ATOM 811 CH2 TRP A 48 4.543 5.647 2.841 1.00 0.00 C ATOM 0 H TRP A 48 1.316 10.093 6.771 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.411 7.769 6.676 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.253 8.020 4.363 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.081 9.654 4.903 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.147 10.704 3.929 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.341 9.915 2.820 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.529 5.660 4.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.618 7.404 2.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.243 4.094 3.572 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.288 4.959 2.470 1.00 0.00 H new ATOM 822 N LYS A 49 2.831 7.233 6.487 1.00 0.00 N ATOM 823 CA LYS A 49 3.825 6.125 6.598 1.00 0.00 C ATOM 824 C LYS A 49 3.591 5.342 7.893 1.00 0.00 C ATOM 825 O LYS A 49 3.744 4.138 7.936 1.00 0.00 O ATOM 826 CB LYS A 49 5.238 6.707 6.606 1.00 0.00 C ATOM 827 CG LYS A 49 6.243 5.606 6.264 1.00 0.00 C ATOM 828 CD LYS A 49 6.681 4.899 7.547 1.00 0.00 C ATOM 829 CE LYS A 49 8.185 4.621 7.489 1.00 0.00 C ATOM 830 NZ LYS A 49 8.876 5.424 8.536 1.00 0.00 N ATOM 0 H LYS A 49 3.229 8.170 6.428 1.00 0.00 H new ATOM 0 HA LYS A 49 3.709 5.454 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.312 7.520 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.464 7.129 7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.794 4.889 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.109 6.033 5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.448 5.518 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.132 3.965 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.376 3.559 7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.575 4.875 6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.898 5.237 8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.703 6.436 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.510 5.161 9.473 1.00 0.00 H new ATOM 844 N ASN A 50 3.232 6.013 8.953 1.00 0.00 N ATOM 845 CA ASN A 50 3.002 5.303 10.243 1.00 0.00 C ATOM 846 C ASN A 50 1.744 4.433 10.147 1.00 0.00 C ATOM 847 O ASN A 50 1.718 3.313 10.618 1.00 0.00 O ATOM 848 CB ASN A 50 2.824 6.330 11.363 1.00 0.00 C ATOM 849 CG ASN A 50 2.965 5.637 12.719 1.00 0.00 C ATOM 850 OD1 ASN A 50 3.912 5.874 13.441 1.00 0.00 O ATOM 851 ND2 ASN A 50 2.054 4.782 13.098 1.00 0.00 N ATOM 0 H ASN A 50 3.088 7.022 8.982 1.00 0.00 H new ATOM 0 HA ASN A 50 3.861 4.667 10.458 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.569 7.120 11.268 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.845 6.803 11.285 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.138 4.314 14.000 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.258 4.582 12.492 1.00 0.00 H new ATOM 858 N ALA A 51 0.699 4.939 9.551 1.00 0.00 N ATOM 859 CA ALA A 51 -0.556 4.141 9.439 1.00 0.00 C ATOM 860 C ALA A 51 -0.348 2.966 8.478 1.00 0.00 C ATOM 861 O ALA A 51 -0.910 1.904 8.653 1.00 0.00 O ATOM 862 CB ALA A 51 -1.681 5.033 8.910 1.00 0.00 C ATOM 0 H ALA A 51 0.660 5.870 9.137 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.821 3.756 10.424 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.599 4.451 8.828 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.839 5.865 9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.408 5.420 7.928 1.00 0.00 H new ATOM 868 N VAL A 52 0.447 3.150 7.462 1.00 0.00 N ATOM 869 CA VAL A 52 0.680 2.047 6.490 1.00 0.00 C ATOM 870 C VAL A 52 1.319 0.852 7.206 1.00 0.00 C ATOM 871 O VAL A 52 0.826 -0.256 7.137 1.00 0.00 O ATOM 872 CB VAL A 52 1.598 2.541 5.367 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.170 1.345 4.599 1.00 0.00 C ATOM 874 CG2 VAL A 52 0.787 3.416 4.406 1.00 0.00 C ATOM 0 H VAL A 52 0.946 4.017 7.263 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.272 1.733 6.061 1.00 0.00 H new ATOM 0 HB VAL A 52 2.417 3.118 5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.822 1.703 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.742 0.715 5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.354 0.765 4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.434 3.771 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.029 2.831 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.378 4.269 4.948 1.00 0.00 H new ATOM 884 N ARG A 53 2.409 1.063 7.894 1.00 0.00 N ATOM 885 CA ARG A 53 3.064 -0.071 8.607 1.00 0.00 C ATOM 886 C ARG A 53 2.037 -0.767 9.503 1.00 0.00 C ATOM 887 O ARG A 53 2.121 -1.952 9.758 1.00 0.00 O ATOM 888 CB ARG A 53 4.217 0.456 9.464 1.00 0.00 C ATOM 889 CG ARG A 53 5.067 -0.719 9.955 1.00 0.00 C ATOM 890 CD ARG A 53 6.038 -0.234 11.033 1.00 0.00 C ATOM 891 NE ARG A 53 7.396 -0.789 10.764 1.00 0.00 N ATOM 892 CZ ARG A 53 8.033 -0.457 9.674 1.00 0.00 C ATOM 893 NH1 ARG A 53 8.332 0.792 9.447 1.00 0.00 N ATOM 894 NH2 ARG A 53 8.373 -1.377 8.812 1.00 0.00 N ATOM 0 H ARG A 53 2.872 1.966 7.993 1.00 0.00 H new ATOM 0 HA ARG A 53 3.454 -0.781 7.878 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.831 1.145 8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.826 1.016 10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.425 -1.503 10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.620 -1.154 9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.074 0.855 11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.693 -0.550 12.017 1.00 0.00 H new ATOM 0 HE ARG A 53 7.827 -1.428 11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.068 1.510 10.121 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.830 1.051 8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.141 -2.354 8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.871 -1.119 7.960 1.00 0.00 H new ATOM 908 N HIS A 54 1.065 -0.039 9.981 1.00 0.00 N ATOM 909 CA HIS A 54 0.032 -0.659 10.858 1.00 0.00 C ATOM 910 C HIS A 54 -0.832 -1.610 10.028 1.00 0.00 C ATOM 911 O HIS A 54 -0.858 -2.803 10.260 1.00 0.00 O ATOM 912 CB HIS A 54 -0.847 0.439 11.463 1.00 0.00 C ATOM 913 CG HIS A 54 -2.078 -0.178 12.072 1.00 0.00 C ATOM 914 ND1 HIS A 54 -3.350 0.071 11.581 1.00 0.00 N ATOM 915 CD2 HIS A 54 -2.243 -1.041 13.125 1.00 0.00 C ATOM 916 CE1 HIS A 54 -4.218 -0.631 12.332 1.00 0.00 C ATOM 917 NE2 HIS A 54 -3.596 -1.326 13.289 1.00 0.00 N ATOM 0 H HIS A 54 0.942 0.958 9.802 1.00 0.00 H new ATOM 0 HA HIS A 54 0.517 -1.216 11.659 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -0.290 0.988 12.222 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -1.130 1.157 10.694 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.445 -1.439 13.734 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -5.287 -0.633 12.180 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -4.021 -1.934 13.989 1.00 0.00 H new ATOM 925 N ASN A 55 -1.541 -1.094 9.062 1.00 0.00 N ATOM 926 CA ASN A 55 -2.404 -1.972 8.222 1.00 0.00 C ATOM 927 C ASN A 55 -1.549 -3.084 7.604 1.00 0.00 C ATOM 928 O ASN A 55 -1.970 -4.218 7.482 1.00 0.00 O ATOM 929 CB ASN A 55 -3.060 -1.130 7.118 1.00 0.00 C ATOM 930 CG ASN A 55 -2.119 -0.991 5.917 1.00 0.00 C ATOM 931 OD1 ASN A 55 -1.763 -1.971 5.294 1.00 0.00 O ATOM 932 ND2 ASN A 55 -1.703 0.193 5.566 1.00 0.00 N ATOM 0 H ASN A 55 -1.560 -0.104 8.818 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.183 -2.424 8.835 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.994 -1.596 6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.311 -0.143 7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.078 0.298 4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.003 1.015 6.090 1.00 0.00 H new ATOM 939 N LEU A 56 -0.352 -2.754 7.207 1.00 0.00 N ATOM 940 CA LEU A 56 0.551 -3.766 6.582 1.00 0.00 C ATOM 941 C LEU A 56 0.703 -4.991 7.494 1.00 0.00 C ATOM 942 O LEU A 56 0.467 -6.111 7.087 1.00 0.00 O ATOM 943 CB LEU A 56 1.931 -3.137 6.359 1.00 0.00 C ATOM 944 CG LEU A 56 2.134 -2.831 4.872 1.00 0.00 C ATOM 945 CD1 LEU A 56 0.877 -2.169 4.303 1.00 0.00 C ATOM 946 CD2 LEU A 56 3.324 -1.882 4.709 1.00 0.00 C ATOM 0 H LEU A 56 0.045 -1.818 7.289 1.00 0.00 H new ATOM 0 HA LEU A 56 0.119 -4.083 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.021 -2.221 6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.709 -3.815 6.709 1.00 0.00 H new ATOM 0 HG LEU A 56 2.326 -3.760 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.026 -1.953 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.027 -2.841 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.681 -1.240 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.472 -1.662 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.127 -0.956 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.222 -2.352 5.111 1.00 0.00 H new ATOM 958 N SER A 57 1.118 -4.790 8.716 1.00 0.00 N ATOM 959 CA SER A 57 1.314 -5.946 9.642 1.00 0.00 C ATOM 960 C SER A 57 -0.030 -6.576 10.025 1.00 0.00 C ATOM 961 O SER A 57 -0.154 -7.782 10.107 1.00 0.00 O ATOM 962 CB SER A 57 2.025 -5.465 10.908 1.00 0.00 C ATOM 963 OG SER A 57 1.054 -5.088 11.877 1.00 0.00 O ATOM 0 H SER A 57 1.330 -3.875 9.114 1.00 0.00 H new ATOM 0 HA SER A 57 1.917 -6.698 9.134 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.663 -6.256 11.304 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.672 -4.619 10.677 1.00 0.00 H new ATOM 0 HG SER A 57 1.506 -4.781 12.690 1.00 0.00 H new ATOM 969 N LEU A 58 -1.031 -5.781 10.281 1.00 0.00 N ATOM 970 CA LEU A 58 -2.351 -6.354 10.680 1.00 0.00 C ATOM 971 C LEU A 58 -3.033 -7.005 9.471 1.00 0.00 C ATOM 972 O LEU A 58 -3.575 -8.089 9.567 1.00 0.00 O ATOM 973 CB LEU A 58 -3.247 -5.238 11.226 1.00 0.00 C ATOM 974 CG LEU A 58 -4.612 -5.815 11.604 1.00 0.00 C ATOM 975 CD1 LEU A 58 -4.501 -6.569 12.930 1.00 0.00 C ATOM 976 CD2 LEU A 58 -5.621 -4.674 11.753 1.00 0.00 C ATOM 0 H LEU A 58 -0.995 -4.763 10.232 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.191 -7.110 11.449 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.782 -4.778 12.097 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.367 -4.455 10.477 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.945 -6.500 10.824 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.475 -6.979 13.198 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.781 -7.381 12.828 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.168 -5.885 13.711 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.595 -5.082 12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.285 -3.991 12.533 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.702 -4.135 10.809 1.00 0.00 H new ATOM 988 N HIS A 59 -3.018 -6.360 8.337 1.00 0.00 N ATOM 989 CA HIS A 59 -3.676 -6.955 7.139 1.00 0.00 C ATOM 990 C HIS A 59 -3.018 -8.293 6.798 1.00 0.00 C ATOM 991 O HIS A 59 -1.875 -8.352 6.391 1.00 0.00 O ATOM 992 CB HIS A 59 -3.548 -5.996 5.955 1.00 0.00 C ATOM 993 CG HIS A 59 -4.552 -4.884 6.103 1.00 0.00 C ATOM 994 ND1 HIS A 59 -5.765 -5.063 6.752 1.00 0.00 N ATOM 995 CD2 HIS A 59 -4.539 -3.575 5.692 1.00 0.00 C ATOM 996 CE1 HIS A 59 -6.424 -3.891 6.713 1.00 0.00 C ATOM 997 NE2 HIS A 59 -5.720 -2.949 6.078 1.00 0.00 N ATOM 0 H HIS A 59 -2.581 -5.451 8.188 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.732 -7.122 7.353 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.539 -5.587 5.912 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.716 -6.530 5.020 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.733 -3.102 5.150 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.402 -3.731 7.142 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.990 -1.980 5.912 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.737 -9.370 6.964 1.00 0.00 N ATOM 1006 CA LYS A 60 -3.165 -10.711 6.659 1.00 0.00 C ATOM 1007 C LYS A 60 -3.155 -10.935 5.145 1.00 0.00 C ATOM 1008 O LYS A 60 -2.405 -11.744 4.634 1.00 0.00 O ATOM 1009 CB LYS A 60 -4.021 -11.790 7.326 1.00 0.00 C ATOM 1010 CG LYS A 60 -3.187 -12.538 8.367 1.00 0.00 C ATOM 1011 CD LYS A 60 -4.033 -12.783 9.618 1.00 0.00 C ATOM 1012 CE LYS A 60 -3.118 -12.912 10.837 1.00 0.00 C ATOM 1013 NZ LYS A 60 -2.161 -14.035 10.626 1.00 0.00 N ATOM 0 H LYS A 60 -4.700 -9.378 7.299 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.145 -10.764 7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.891 -11.336 7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.395 -12.487 6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.841 -13.487 7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.300 -11.958 8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.734 -11.961 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.625 -13.690 9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.573 -11.981 10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.712 -13.090 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.705 -14.277 11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.673 -14.864 10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.435 -13.748 9.938 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.981 -10.230 4.423 1.00 0.00 N ATOM 1028 CA TYR A 61 -4.014 -10.412 2.946 1.00 0.00 C ATOM 1029 C TYR A 61 -2.748 -9.808 2.331 1.00 0.00 C ATOM 1030 O TYR A 61 -2.377 -10.124 1.218 1.00 0.00 O ATOM 1031 CB TYR A 61 -5.254 -9.721 2.373 1.00 0.00 C ATOM 1032 CG TYR A 61 -5.127 -8.226 2.535 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -4.242 -7.508 1.723 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.899 -7.558 3.493 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -4.127 -6.122 1.870 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -5.784 -6.170 3.640 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.898 -5.452 2.829 1.00 0.00 C ATOM 1038 OH TYR A 61 -4.787 -4.085 2.972 1.00 0.00 O ATOM 0 H TYR A 61 -4.633 -9.537 4.791 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.057 -11.475 2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.368 -9.973 1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.149 -10.077 2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.648 -8.024 0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.583 -8.113 4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.443 -5.568 1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.379 -5.654 4.379 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.204 -3.729 2.269 1.00 0.00 H new ATOM 1048 N PHE A 62 -2.075 -8.955 3.054 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.823 -8.347 2.519 1.00 0.00 C ATOM 1050 C PHE A 62 0.331 -9.326 2.753 1.00 0.00 C ATOM 1051 O PHE A 62 0.554 -9.769 3.862 1.00 0.00 O ATOM 1052 CB PHE A 62 -0.536 -7.038 3.259 1.00 0.00 C ATOM 1053 CG PHE A 62 -1.036 -5.866 2.447 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.663 -5.732 1.104 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.864 -4.905 3.042 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -1.120 -4.638 0.357 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -2.321 -3.814 2.295 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.948 -3.680 0.953 1.00 0.00 C ATOM 0 H PHE A 62 -2.338 -8.653 3.992 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.932 -8.142 1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.021 -7.048 4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.535 -6.938 3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.024 -6.471 0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.150 -5.007 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.833 -4.534 -0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.961 -3.075 2.754 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.299 -2.837 0.377 1.00 0.00 H new ATOM 1068 N VAL A 63 1.064 -9.680 1.730 1.00 0.00 N ATOM 1069 CA VAL A 63 2.183 -10.640 1.938 1.00 0.00 C ATOM 1070 C VAL A 63 3.485 -10.053 1.392 1.00 0.00 C ATOM 1071 O VAL A 63 3.493 -9.329 0.415 1.00 0.00 O ATOM 1072 CB VAL A 63 1.869 -11.950 1.212 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.125 -12.823 1.156 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.767 -12.695 1.969 1.00 0.00 C ATOM 0 H VAL A 63 0.938 -9.350 0.773 1.00 0.00 H new ATOM 0 HA VAL A 63 2.299 -10.830 3.005 1.00 0.00 H new ATOM 0 HB VAL A 63 1.536 -11.731 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.898 -13.755 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.913 -12.293 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.460 -13.043 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.540 -13.629 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.104 -12.911 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.129 -12.076 2.009 1.00 0.00 H new ATOM 1084 N ARG A 64 4.587 -10.367 2.014 1.00 0.00 N ATOM 1085 CA ARG A 64 5.893 -9.840 1.537 1.00 0.00 C ATOM 1086 C ARG A 64 6.742 -11.001 1.021 1.00 0.00 C ATOM 1087 O ARG A 64 6.682 -12.101 1.534 1.00 0.00 O ATOM 1088 CB ARG A 64 6.623 -9.155 2.694 1.00 0.00 C ATOM 1089 CG ARG A 64 7.019 -10.202 3.736 1.00 0.00 C ATOM 1090 CD ARG A 64 6.590 -9.728 5.124 1.00 0.00 C ATOM 1091 NE ARG A 64 7.676 -8.902 5.722 1.00 0.00 N ATOM 1092 CZ ARG A 64 8.876 -9.397 5.849 1.00 0.00 C ATOM 1093 NH1 ARG A 64 9.152 -10.190 6.848 1.00 0.00 N ATOM 1094 NH2 ARG A 64 9.800 -9.099 4.977 1.00 0.00 N ATOM 0 H ARG A 64 4.638 -10.969 2.836 1.00 0.00 H new ATOM 0 HA ARG A 64 5.726 -9.119 0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.510 -8.640 2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.981 -8.400 3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.548 -11.157 3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.097 -10.364 3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.672 -9.145 5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.376 -10.585 5.763 1.00 0.00 H new ATOM 0 HE ARG A 64 7.481 -7.950 6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.429 -10.423 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.090 -10.577 6.948 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.584 -8.479 4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.739 -9.486 5.076 1.00 0.00 H new ATOM 1108 N VAL A 65 7.534 -10.770 0.012 1.00 0.00 N ATOM 1109 CA VAL A 65 8.382 -11.858 -0.528 1.00 0.00 C ATOM 1110 C VAL A 65 9.837 -11.393 -0.578 1.00 0.00 C ATOM 1111 O VAL A 65 10.238 -10.668 -1.467 1.00 0.00 O ATOM 1112 CB VAL A 65 7.917 -12.224 -1.938 1.00 0.00 C ATOM 1113 CG1 VAL A 65 8.774 -13.371 -2.476 1.00 0.00 C ATOM 1114 CG2 VAL A 65 6.451 -12.660 -1.892 1.00 0.00 C ATOM 0 H VAL A 65 7.628 -9.871 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 65 8.299 -12.732 0.118 1.00 0.00 H new ATOM 0 HB VAL A 65 8.019 -11.358 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.443 -13.632 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.819 -13.061 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.672 -14.238 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.117 -12.921 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.349 -13.527 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.840 -11.843 -1.508 1.00 0.00 H new ATOM 1124 N GLU A 66 10.634 -11.806 0.370 1.00 0.00 N ATOM 1125 CA GLU A 66 12.059 -11.390 0.372 1.00 0.00 C ATOM 1126 C GLU A 66 12.759 -11.994 -0.845 1.00 0.00 C ATOM 1127 O GLU A 66 12.942 -13.192 -0.937 1.00 0.00 O ATOM 1128 CB GLU A 66 12.739 -11.884 1.652 1.00 0.00 C ATOM 1129 CG GLU A 66 13.859 -10.917 2.038 1.00 0.00 C ATOM 1130 CD GLU A 66 14.409 -11.295 3.415 1.00 0.00 C ATOM 1131 OE1 GLU A 66 13.627 -11.725 4.246 1.00 0.00 O ATOM 1132 OE2 GLU A 66 15.603 -11.145 3.614 1.00 0.00 O ATOM 0 H GLU A 66 10.357 -12.413 1.141 1.00 0.00 H new ATOM 0 HA GLU A 66 12.122 -10.303 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.011 -11.955 2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.144 -12.884 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.656 -10.951 1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.482 -9.895 2.054 1.00 0.00 H new ATOM 1139 N ASN A 67 13.151 -11.178 -1.783 1.00 0.00 N ATOM 1140 CA ASN A 67 13.833 -11.706 -2.989 1.00 0.00 C ATOM 1141 C ASN A 67 15.100 -10.896 -3.259 1.00 0.00 C ATOM 1142 O ASN A 67 15.253 -9.787 -2.787 1.00 0.00 O ATOM 1143 CB ASN A 67 12.894 -11.606 -4.193 1.00 0.00 C ATOM 1144 CG ASN A 67 13.187 -12.749 -5.166 1.00 0.00 C ATOM 1145 OD1 ASN A 67 12.768 -13.869 -4.950 1.00 0.00 O ATOM 1146 ND2 ASN A 67 13.895 -12.513 -6.237 1.00 0.00 N ATOM 0 H ASN A 67 13.026 -10.166 -1.763 1.00 0.00 H new ATOM 0 HA ASN A 67 14.101 -12.750 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.856 -11.653 -3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.027 -10.646 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.096 -13.269 -6.892 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.247 -11.573 -6.419 1.00 0.00 H new ATOM 1153 N VAL A 68 16.010 -11.440 -4.019 1.00 0.00 N ATOM 1154 CA VAL A 68 17.267 -10.700 -4.323 1.00 0.00 C ATOM 1155 C VAL A 68 16.921 -9.295 -4.819 1.00 0.00 C ATOM 1156 O VAL A 68 17.560 -8.325 -4.461 1.00 0.00 O ATOM 1157 CB VAL A 68 18.049 -11.449 -5.403 1.00 0.00 C ATOM 1158 CG1 VAL A 68 19.174 -10.556 -5.929 1.00 0.00 C ATOM 1159 CG2 VAL A 68 18.649 -12.724 -4.806 1.00 0.00 C ATOM 0 H VAL A 68 15.937 -12.365 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 68 17.876 -10.626 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 68 17.379 -11.711 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.732 -11.089 -6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 68 18.748 -9.647 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 68 19.844 -10.295 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 68 19.207 -13.258 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 68 19.320 -12.462 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.849 -13.361 -4.429 1.00 0.00 H new ATOM 1169 N LYS A 69 15.913 -9.177 -5.642 1.00 0.00 N ATOM 1170 CA LYS A 69 15.525 -7.836 -6.161 1.00 0.00 C ATOM 1171 C LYS A 69 15.202 -6.911 -4.985 1.00 0.00 C ATOM 1172 O LYS A 69 15.338 -5.707 -5.074 1.00 0.00 O ATOM 1173 CB LYS A 69 14.292 -7.974 -7.057 1.00 0.00 C ATOM 1174 CG LYS A 69 14.601 -7.409 -8.445 1.00 0.00 C ATOM 1175 CD LYS A 69 13.308 -7.318 -9.258 1.00 0.00 C ATOM 1176 CE LYS A 69 13.106 -8.615 -10.043 1.00 0.00 C ATOM 1177 NZ LYS A 69 13.769 -8.501 -11.372 1.00 0.00 N ATOM 0 H LYS A 69 15.342 -9.953 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 69 16.348 -7.416 -6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.003 -9.022 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.448 -7.443 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.057 -6.423 -8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.321 -8.047 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.460 -7.146 -8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.355 -6.470 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.522 -9.456 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.042 -8.813 -10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.631 -9.383 -11.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.353 -7.708 -11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.787 -8.332 -11.239 1.00 0.00 H new ATOM 1191 N GLY A 70 14.774 -7.465 -3.884 1.00 0.00 N ATOM 1192 CA GLY A 70 14.443 -6.625 -2.708 1.00 0.00 C ATOM 1193 C GLY A 70 13.075 -7.030 -2.155 1.00 0.00 C ATOM 1194 O GLY A 70 12.190 -7.425 -2.887 1.00 0.00 O ATOM 0 H GLY A 70 14.640 -8.467 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.206 -6.742 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.435 -5.572 -2.991 1.00 0.00 H new ATOM 1198 N ALA A 71 12.896 -6.935 -0.866 1.00 0.00 N ATOM 1199 CA ALA A 71 11.586 -7.313 -0.265 1.00 0.00 C ATOM 1200 C ALA A 71 10.452 -6.684 -1.078 1.00 0.00 C ATOM 1201 O ALA A 71 10.522 -5.538 -1.475 1.00 0.00 O ATOM 1202 CB ALA A 71 11.524 -6.805 1.177 1.00 0.00 C ATOM 0 H ALA A 71 13.601 -6.612 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 71 11.480 -8.398 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.566 -7.080 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.333 -7.252 1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.629 -5.720 1.185 1.00 0.00 H new ATOM 1208 N VAL A 72 9.408 -7.424 -1.332 1.00 0.00 N ATOM 1209 CA VAL A 72 8.276 -6.863 -2.124 1.00 0.00 C ATOM 1210 C VAL A 72 6.989 -6.913 -1.300 1.00 0.00 C ATOM 1211 O VAL A 72 6.920 -7.551 -0.267 1.00 0.00 O ATOM 1212 CB VAL A 72 8.088 -7.682 -3.404 1.00 0.00 C ATOM 1213 CG1 VAL A 72 8.977 -7.117 -4.512 1.00 0.00 C ATOM 1214 CG2 VAL A 72 8.468 -9.140 -3.138 1.00 0.00 C ATOM 0 H VAL A 72 9.289 -8.390 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 72 8.501 -5.828 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 72 7.045 -7.629 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.841 -7.702 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.704 -6.079 -4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.021 -7.166 -4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.334 -9.723 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.510 -9.193 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.831 -9.544 -2.352 1.00 0.00 H new ATOM 1224 N TRP A 73 5.964 -6.252 -1.761 1.00 0.00 N ATOM 1225 CA TRP A 73 4.671 -6.259 -1.030 1.00 0.00 C ATOM 1226 C TRP A 73 3.574 -6.734 -1.979 1.00 0.00 C ATOM 1227 O TRP A 73 3.346 -6.144 -3.014 1.00 0.00 O ATOM 1228 CB TRP A 73 4.340 -4.853 -0.521 1.00 0.00 C ATOM 1229 CG TRP A 73 4.814 -4.708 0.888 1.00 0.00 C ATOM 1230 CD1 TRP A 73 5.757 -3.833 1.305 1.00 0.00 C ATOM 1231 CD2 TRP A 73 4.383 -5.442 2.070 1.00 0.00 C ATOM 1232 NE1 TRP A 73 5.931 -3.983 2.669 1.00 0.00 N ATOM 1233 CE2 TRP A 73 5.107 -4.964 3.186 1.00 0.00 C ATOM 1234 CE3 TRP A 73 3.445 -6.468 2.278 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 4.906 -5.483 4.466 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 3.240 -6.994 3.564 1.00 0.00 C ATOM 1237 CH2 TRP A 73 3.969 -6.502 4.656 1.00 0.00 C ATOM 0 H TRP A 73 5.969 -5.703 -2.621 1.00 0.00 H new ATOM 0 HA TRP A 73 4.742 -6.929 -0.173 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.815 -4.104 -1.155 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.265 -4.679 -0.574 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.287 -3.133 0.677 1.00 0.00 H new ATOM 0 HE1 TRP A 73 6.588 -3.436 3.225 1.00 0.00 H new ATOM 0 HE3 TRP A 73 2.878 -6.854 1.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 5.470 -5.100 5.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.517 -7.782 3.713 1.00 0.00 H new ATOM 0 HH2 TRP A 73 3.807 -6.910 5.643 1.00 0.00 H new ATOM 1248 N THR A 74 2.903 -7.804 -1.661 1.00 0.00 N ATOM 1249 CA THR A 74 1.857 -8.299 -2.580 1.00 0.00 C ATOM 1250 C THR A 74 0.549 -8.545 -1.831 1.00 0.00 C ATOM 1251 O THR A 74 0.525 -8.696 -0.626 1.00 0.00 O ATOM 1252 CB THR A 74 2.346 -9.596 -3.216 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.428 -10.015 -4.216 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.470 -10.680 -2.144 1.00 0.00 C ATOM 0 H THR A 74 3.036 -8.350 -0.810 1.00 0.00 H new ATOM 0 HA THR A 74 1.667 -7.551 -3.349 1.00 0.00 H new ATOM 0 HB THR A 74 3.322 -9.427 -3.672 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.936 -9.238 -4.554 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.820 -11.606 -2.601 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.182 -10.360 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.497 -10.848 -1.682 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.540 -8.587 -2.547 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.857 -8.825 -1.897 1.00 0.00 C ATOM 1264 C VAL A 75 -2.463 -10.118 -2.443 1.00 0.00 C ATOM 1265 O VAL A 75 -2.373 -10.407 -3.620 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.792 -7.653 -2.202 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -4.200 -7.973 -1.696 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -2.275 -6.395 -1.503 1.00 0.00 C ATOM 0 H VAL A 75 -0.573 -8.466 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.724 -8.912 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.824 -7.487 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.864 -7.137 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.570 -8.870 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.170 -8.141 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.940 -5.559 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.243 -6.564 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.273 -6.164 -1.864 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.077 -10.903 -1.600 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.684 -12.177 -2.078 1.00 0.00 C ATOM 1280 C ASP A 76 -5.176 -11.966 -2.342 1.00 0.00 C ATOM 1281 O ASP A 76 -5.908 -11.498 -1.491 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.497 -13.262 -1.014 1.00 0.00 C ATOM 1283 CG ASP A 76 -3.155 -14.590 -1.694 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -4.067 -15.234 -2.184 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -1.985 -14.938 -1.713 1.00 0.00 O ATOM 0 H ASP A 76 -3.184 -10.717 -0.603 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.196 -12.488 -3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.701 -12.978 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.407 -13.367 -0.423 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.635 -12.304 -3.517 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.079 -12.119 -3.837 1.00 0.00 C ATOM 1292 C GLU A 77 -7.932 -12.937 -2.864 1.00 0.00 C ATOM 1293 O GLU A 77 -8.979 -12.504 -2.430 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.347 -12.588 -5.267 1.00 0.00 C ATOM 1295 CG GLU A 77 -6.247 -12.066 -6.193 1.00 0.00 C ATOM 1296 CD GLU A 77 -6.854 -11.686 -7.545 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -7.498 -12.534 -8.141 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -6.666 -10.555 -7.961 1.00 0.00 O ATOM 0 H GLU A 77 -5.072 -12.700 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.337 -11.064 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.380 -13.677 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.320 -12.228 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.761 -11.200 -5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.479 -12.828 -6.329 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.492 -14.116 -2.518 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.280 -14.955 -1.576 1.00 0.00 C ATOM 1307 C VAL A 78 -8.422 -14.216 -0.247 1.00 0.00 C ATOM 1308 O VAL A 78 -9.512 -13.966 0.227 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.554 -16.281 -1.342 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -8.345 -17.127 -0.343 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.434 -17.036 -2.668 1.00 0.00 C ATOM 0 H VAL A 78 -6.621 -14.533 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.266 -15.151 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.559 -16.085 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.828 -18.072 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.431 -16.589 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.341 -17.324 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.917 -17.981 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.429 -17.232 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.870 -16.433 -3.380 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.322 -13.863 0.354 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.375 -13.138 1.652 1.00 0.00 C ATOM 1323 C GLU A 79 -8.009 -11.762 1.442 1.00 0.00 C ATOM 1324 O GLU A 79 -8.836 -11.322 2.216 1.00 0.00 O ATOM 1325 CB GLU A 79 -5.956 -12.967 2.199 1.00 0.00 C ATOM 1326 CG GLU A 79 -5.551 -14.223 2.972 1.00 0.00 C ATOM 1327 CD GLU A 79 -6.383 -14.327 4.251 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -5.955 -13.789 5.259 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -7.436 -14.943 4.202 1.00 0.00 O ATOM 0 H GLU A 79 -6.383 -14.047 -0.000 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.972 -13.709 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.258 -12.790 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.909 -12.095 2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.703 -15.108 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.490 -14.185 3.218 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.620 -11.075 0.403 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.188 -9.726 0.141 1.00 0.00 C ATOM 1338 C PHE A 80 -9.642 -9.852 -0.324 1.00 0.00 C ATOM 1339 O PHE A 80 -10.373 -8.883 -0.367 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.365 -9.037 -0.948 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.687 -7.562 -0.966 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -6.956 -6.676 -0.166 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -8.718 -7.083 -1.782 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -7.255 -5.309 -0.184 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -9.017 -5.715 -1.800 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.285 -4.828 -1.001 1.00 0.00 C ATOM 0 H PHE A 80 -6.930 -11.393 -0.278 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.156 -9.137 1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.301 -9.185 -0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.585 -9.480 -1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.162 -7.047 0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -9.283 -7.768 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -6.691 -4.625 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.812 -5.344 -2.430 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.515 -3.773 -1.015 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.066 -11.034 -0.676 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.471 -11.211 -1.141 1.00 0.00 C ATOM 1358 C GLN A 81 -12.365 -11.570 0.048 1.00 0.00 C ATOM 1359 O GLN A 81 -13.569 -11.414 0.000 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.532 -12.335 -2.177 1.00 0.00 C ATOM 1361 CG GLN A 81 -12.985 -12.564 -2.596 1.00 0.00 C ATOM 1362 CD GLN A 81 -13.072 -12.633 -4.122 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -13.387 -13.667 -4.677 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -12.804 -11.569 -4.827 1.00 0.00 N ATOM 0 H GLN A 81 -9.502 -11.884 -0.662 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.819 -10.281 -1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.928 -12.076 -3.047 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.114 -13.251 -1.760 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.359 -13.489 -2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.614 -11.756 -2.222 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.540 -10.701 -4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.859 -11.605 -5.845 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.788 -12.054 1.113 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.605 -12.427 2.297 1.00 0.00 C ATOM 1375 C LYS A 82 -13.170 -11.167 2.957 1.00 0.00 C ATOM 1376 O LYS A 82 -14.250 -11.180 3.514 1.00 0.00 O ATOM 1377 CB LYS A 82 -11.731 -13.180 3.302 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.687 -14.664 2.928 1.00 0.00 C ATOM 1379 CD LYS A 82 -12.167 -15.503 4.113 1.00 0.00 C ATOM 1380 CE LYS A 82 -13.659 -15.802 3.956 1.00 0.00 C ATOM 1381 NZ LYS A 82 -14.446 -14.857 4.797 1.00 0.00 N ATOM 0 H LYS A 82 -10.784 -12.207 1.213 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.429 -13.065 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.723 -12.765 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.130 -13.059 4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.317 -14.850 2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.672 -14.951 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.602 -16.434 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.989 -14.969 5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.952 -15.706 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.868 -16.830 4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.460 -15.060 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.173 -14.970 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.255 -13.881 4.494 1.00 0.00 H new ATOM 1395 N ARG A 83 -12.449 -10.081 2.905 1.00 0.00 N ATOM 1396 CA ARG A 83 -12.943 -8.830 3.535 1.00 0.00 C ATOM 1397 C ARG A 83 -13.447 -7.866 2.458 1.00 0.00 C ATOM 1398 O ARG A 83 -14.059 -6.858 2.752 1.00 0.00 O ATOM 1399 CB ARG A 83 -11.805 -8.172 4.317 1.00 0.00 C ATOM 1400 CG ARG A 83 -11.737 -8.770 5.723 1.00 0.00 C ATOM 1401 CD ARG A 83 -10.321 -8.607 6.279 1.00 0.00 C ATOM 1402 NE ARG A 83 -10.286 -7.448 7.213 1.00 0.00 N ATOM 1403 CZ ARG A 83 -11.027 -7.449 8.288 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -11.710 -8.514 8.611 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -11.085 -6.385 9.041 1.00 0.00 N ATOM 0 H ARG A 83 -11.538 -10.008 2.452 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.763 -9.069 4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.858 -8.325 3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.965 -7.095 4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.455 -8.274 6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.009 -9.825 5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.016 -9.516 6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.614 -8.453 5.464 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.682 -6.651 7.013 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.665 -9.346 8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.288 -8.514 9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.552 -5.553 8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.664 -6.386 9.881 1.00 0.00 H new ATOM 1419 N ARG A 84 -13.193 -8.161 1.213 1.00 0.00 N ATOM 1420 CA ARG A 84 -13.654 -7.257 0.123 1.00 0.00 C ATOM 1421 C ARG A 84 -15.175 -7.069 0.203 1.00 0.00 C ATOM 1422 O ARG A 84 -15.656 -5.953 0.209 1.00 0.00 O ATOM 1423 CB ARG A 84 -13.286 -7.864 -1.232 1.00 0.00 C ATOM 1424 CG ARG A 84 -12.549 -6.822 -2.075 1.00 0.00 C ATOM 1425 CD ARG A 84 -13.435 -5.588 -2.253 1.00 0.00 C ATOM 1426 NE ARG A 84 -12.621 -4.357 -2.046 1.00 0.00 N ATOM 1427 CZ ARG A 84 -12.856 -3.292 -2.762 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -14.029 -3.120 -3.309 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -11.920 -2.397 -2.930 1.00 0.00 N ATOM 0 H ARG A 84 -12.686 -8.990 0.904 1.00 0.00 H new ATOM 0 HA ARG A 84 -13.169 -6.287 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.657 -8.743 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -14.186 -8.196 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.613 -6.544 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -12.292 -7.242 -3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -13.874 -5.583 -3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -14.261 -5.615 -1.542 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.880 -4.347 -1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.761 -3.818 -3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.214 -2.288 -3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.004 -2.530 -2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.105 -1.565 -3.490 1.00 0.00 H new ATOM 1443 N PRO A 85 -15.886 -8.167 0.254 1.00 0.00 N ATOM 1444 CA PRO A 85 -17.359 -8.156 0.324 1.00 0.00 C ATOM 1445 C PRO A 85 -17.830 -7.838 1.746 1.00 0.00 C ATOM 1446 O PRO A 85 -19.011 -7.708 2.004 1.00 0.00 O ATOM 1447 CB PRO A 85 -17.748 -9.582 -0.077 1.00 0.00 C ATOM 1448 CG PRO A 85 -16.508 -10.466 0.193 1.00 0.00 C ATOM 1449 CD PRO A 85 -15.293 -9.520 0.250 1.00 0.00 C ATOM 0 HA PRO A 85 -17.812 -7.399 -0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.605 -9.928 0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.034 -9.625 -1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -16.618 -11.011 1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.383 -11.209 -0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.694 -9.695 1.144 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -14.636 -9.664 -0.607 1.00 0.00 H new ATOM 1457 N GLN A 86 -16.919 -7.711 2.670 1.00 0.00 N ATOM 1458 CA GLN A 86 -17.317 -7.402 4.064 1.00 0.00 C ATOM 1459 C GLN A 86 -17.056 -5.921 4.351 1.00 0.00 C ATOM 1460 O GLN A 86 -17.949 -5.182 4.715 1.00 0.00 O ATOM 1461 CB GLN A 86 -16.503 -8.264 5.031 1.00 0.00 C ATOM 1462 CG GLN A 86 -17.394 -8.710 6.192 1.00 0.00 C ATOM 1463 CD GLN A 86 -17.234 -7.739 7.363 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -16.448 -6.814 7.297 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -17.950 -7.910 8.440 1.00 0.00 N ATOM 0 H GLN A 86 -15.915 -7.809 2.516 1.00 0.00 H new ATOM 0 HA GLN A 86 -18.378 -7.616 4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -16.103 -9.134 4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -15.651 -7.699 5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -18.436 -8.742 5.873 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -17.125 -9.719 6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -18.610 -8.686 8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -17.850 -7.268 9.226 1.00 0.00 H new ATOM 1474 N LYS A 87 -15.838 -5.482 4.186 1.00 0.00 N ATOM 1475 CA LYS A 87 -15.522 -4.050 4.447 1.00 0.00 C ATOM 1476 C LYS A 87 -15.771 -3.734 5.923 1.00 0.00 C ATOM 1477 O LYS A 87 -16.902 -3.423 6.259 1.00 0.00 O ATOM 1478 CB LYS A 87 -16.417 -3.165 3.577 1.00 0.00 C ATOM 1479 CG LYS A 87 -15.601 -2.604 2.411 1.00 0.00 C ATOM 1480 CD LYS A 87 -14.516 -1.670 2.949 1.00 0.00 C ATOM 1481 CE LYS A 87 -14.595 -0.323 2.226 1.00 0.00 C ATOM 1482 NZ LYS A 87 -14.209 -0.502 0.798 1.00 0.00 N ATOM 1483 OXT LYS A 87 -14.826 -3.805 6.691 1.00 0.00 O ATOM 0 H LYS A 87 -15.049 -6.053 3.882 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.476 -3.858 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -17.261 -3.742 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.829 -2.350 4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.147 -3.418 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.253 -2.064 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.644 -1.527 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.532 -2.116 2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.606 0.079 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.933 0.398 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.147 0.428 0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.285 -0.977 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.925 -1.082 0.315 1.00 0.00 H new TER 1497 LYS A 87