USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 743 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 Single : A 26 SER OG : rot -56:sc= -1.56 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.828 K(o=-0.83,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 37 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.031) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00601 USER MOD Single : A 49 SER OG : rot 15:sc= 0.503 USER MOD Single : A 51 SER OG : rot -117:sc= 1.35 USER MOD Single : A 52 SER OG : rot 170:sc= -2.88! USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0249) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.063) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 67 GLN : amide:sc= -0.562 K(o=-0.56,f=-0.034) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 141:sc= -0.762 (180deg=-1.98!) USER MOD Single : A 83 GLN : amide:sc= 0.018 X(o=0.018,f=-0.16) USER MOD Single : A 91 TYR OH : rot -100:sc= 2.06 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0105 USER MOD Single : A 94 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.54) USER MOD Single : A 98 LYS NZ :NH3+ -126:sc= -8.08! (180deg=-12.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 22 -5.656 12.761 -6.971 1.00 0.00 N ATOM 2 CA ARG A 22 -6.986 12.476 -6.371 1.00 0.00 C ATOM 3 C ARG A 22 -7.088 11.024 -5.920 1.00 0.00 C ATOM 4 O ARG A 22 -7.761 10.718 -4.935 1.00 0.00 O ATOM 5 CB ARG A 22 -8.068 12.778 -7.413 1.00 0.00 C ATOM 6 CG ARG A 22 -9.449 12.252 -7.041 1.00 0.00 C ATOM 7 CD ARG A 22 -10.265 13.303 -6.307 1.00 0.00 C ATOM 8 NE ARG A 22 -11.059 14.117 -7.225 1.00 0.00 N ATOM 9 CZ ARG A 22 -11.549 15.317 -6.919 1.00 0.00 C ATOM 10 NH1 ARG A 22 -11.332 15.845 -5.721 1.00 0.00 N ATOM 11 NH2 ARG A 22 -12.258 15.990 -7.815 1.00 0.00 N ATOM 0 HA ARG A 22 -7.122 13.106 -5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.128 13.857 -7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.770 12.344 -8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.977 11.944 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.346 11.366 -6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.926 12.814 -5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.597 13.947 -5.736 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.249 13.744 -8.155 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.787 15.331 -5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.710 16.764 -5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.428 15.589 -8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.634 16.909 -7.582 1.00 0.00 H new ATOM 27 N LEU A 23 -6.425 10.134 -6.651 1.00 0.00 N ATOM 28 CA LEU A 23 -6.450 8.710 -6.330 1.00 0.00 C ATOM 29 C LEU A 23 -6.257 8.489 -4.834 1.00 0.00 C ATOM 30 O LEU A 23 -5.301 8.983 -4.246 1.00 0.00 O ATOM 31 CB LEU A 23 -5.379 7.962 -7.134 1.00 0.00 C ATOM 32 CG LEU A 23 -5.589 7.897 -8.660 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.843 6.465 -9.100 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.727 8.801 -9.125 1.00 0.00 C ATOM 0 H LEU A 23 -5.864 10.372 -7.469 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.427 8.312 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.415 8.434 -6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.316 6.942 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.673 8.260 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.989 6.437 -10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.987 5.845 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.735 6.084 -8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.836 8.721 -10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.655 8.495 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.503 9.834 -8.858 1.00 0.00 H new ATOM 46 N ARG A 24 -7.192 7.769 -4.223 1.00 0.00 N ATOM 47 CA ARG A 24 -7.141 7.502 -2.789 1.00 0.00 C ATOM 48 C ARG A 24 -6.488 6.150 -2.494 1.00 0.00 C ATOM 49 O ARG A 24 -6.906 5.118 -3.018 1.00 0.00 O ATOM 50 CB ARG A 24 -8.559 7.560 -2.199 1.00 0.00 C ATOM 51 CG ARG A 24 -8.778 6.664 -0.987 1.00 0.00 C ATOM 52 CD ARG A 24 -10.198 6.782 -0.453 1.00 0.00 C ATOM 53 NE ARG A 24 -10.822 5.475 -0.263 1.00 0.00 N ATOM 54 CZ ARG A 24 -10.491 4.630 0.711 1.00 0.00 C ATOM 55 NH1 ARG A 24 -9.545 4.952 1.586 1.00 0.00 N ATOM 56 NH2 ARG A 24 -11.107 3.460 0.811 1.00 0.00 N ATOM 0 H ARG A 24 -7.996 7.359 -4.699 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.526 8.270 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.780 8.590 -1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.273 7.281 -2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.576 5.628 -1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.070 6.932 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.185 7.319 0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.798 7.373 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.554 5.193 -0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.068 5.851 1.514 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.296 4.301 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.834 3.208 0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.854 2.812 1.557 1.00 0.00 H new ATOM 70 N LEU A 25 -5.467 6.169 -1.638 1.00 0.00 N ATOM 71 CA LEU A 25 -4.758 4.958 -1.253 1.00 0.00 C ATOM 72 C LEU A 25 -5.420 4.329 -0.034 1.00 0.00 C ATOM 73 O LEU A 25 -5.885 5.034 0.862 1.00 0.00 O ATOM 74 CB LEU A 25 -3.300 5.284 -0.934 1.00 0.00 C ATOM 75 CG LEU A 25 -2.324 4.124 -1.100 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.888 4.592 -0.916 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.643 3.010 -0.122 1.00 0.00 C ATOM 0 H LEU A 25 -5.113 7.018 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.794 4.253 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.978 6.103 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.241 5.643 0.093 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.432 3.738 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.211 3.747 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.656 5.354 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.767 5.011 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.935 2.193 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.569 3.389 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.655 2.647 -0.302 1.00 0.00 H new ATOM 89 N SER A 26 -5.463 3.004 -0.001 1.00 0.00 N ATOM 90 CA SER A 26 -6.074 2.297 1.122 1.00 0.00 C ATOM 91 C SER A 26 -5.301 1.028 1.458 1.00 0.00 C ATOM 92 O SER A 26 -5.337 0.055 0.710 1.00 0.00 O ATOM 93 CB SER A 26 -7.529 1.949 0.800 1.00 0.00 C ATOM 94 OG SER A 26 -8.063 2.834 -0.169 1.00 0.00 O ATOM 0 H SER A 26 -5.086 2.399 -0.731 1.00 0.00 H new ATOM 0 HA SER A 26 -6.045 2.956 1.990 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.588 0.924 0.433 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.127 1.997 1.710 1.00 0.00 H new ATOM 0 HG SER A 26 -7.972 3.758 0.146 1.00 0.00 H new ATOM 100 N VAL A 27 -4.604 1.042 2.589 1.00 0.00 N ATOM 101 CA VAL A 27 -3.827 -0.116 3.008 1.00 0.00 C ATOM 102 C VAL A 27 -4.581 -0.958 4.029 1.00 0.00 C ATOM 103 O VAL A 27 -5.028 -0.458 5.061 1.00 0.00 O ATOM 104 CB VAL A 27 -2.457 0.294 3.583 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.570 0.767 5.023 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.478 -0.859 3.475 1.00 0.00 C ATOM 0 H VAL A 27 -4.562 1.837 3.227 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.662 -0.717 2.114 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.085 1.132 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.583 1.047 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.234 1.630 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.974 -0.036 5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.514 -0.557 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.859 -1.713 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.357 -1.136 2.428 1.00 0.00 H new ATOM 116 N PHE A 28 -4.726 -2.240 3.721 1.00 0.00 N ATOM 117 CA PHE A 28 -5.431 -3.162 4.587 1.00 0.00 C ATOM 118 C PHE A 28 -4.493 -4.176 5.230 1.00 0.00 C ATOM 119 O PHE A 28 -3.547 -4.655 4.605 1.00 0.00 O ATOM 120 CB PHE A 28 -6.507 -3.894 3.795 1.00 0.00 C ATOM 121 CG PHE A 28 -7.763 -4.064 4.581 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.382 -2.960 5.132 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.311 -5.316 4.787 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.529 -3.096 5.878 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.464 -5.462 5.530 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.075 -4.350 6.079 1.00 0.00 C ATOM 0 H PHE A 28 -4.359 -2.663 2.869 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.886 -2.577 5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.724 -3.341 2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.133 -4.872 3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.960 -1.978 4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.833 -6.187 4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.002 -2.225 6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.889 -6.443 5.683 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.976 -4.461 6.663 1.00 0.00 H new ATOM 136 N ARG A 29 -4.785 -4.512 6.481 1.00 0.00 N ATOM 137 CA ARG A 29 -4.001 -5.487 7.225 1.00 0.00 C ATOM 138 C ARG A 29 -4.886 -6.205 8.236 1.00 0.00 C ATOM 139 O ARG A 29 -5.460 -5.577 9.126 1.00 0.00 O ATOM 140 CB ARG A 29 -2.823 -4.815 7.937 1.00 0.00 C ATOM 141 CG ARG A 29 -1.842 -5.805 8.544 1.00 0.00 C ATOM 142 CD ARG A 29 -0.695 -6.106 7.593 1.00 0.00 C ATOM 143 NE ARG A 29 -0.141 -7.441 7.806 1.00 0.00 N ATOM 144 CZ ARG A 29 1.107 -7.788 7.493 1.00 0.00 C ATOM 145 NH1 ARG A 29 1.945 -6.899 6.975 1.00 0.00 N ATOM 146 NH2 ARG A 29 1.519 -9.029 7.704 1.00 0.00 N ATOM 0 H ARG A 29 -5.567 -4.118 7.004 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.601 -6.215 6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.294 -4.179 7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.206 -4.165 8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.447 -5.402 9.477 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.363 -6.730 8.792 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.045 -6.019 6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.091 -5.362 7.726 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.746 -8.150 8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.636 -5.941 6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.898 -7.174 6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.881 -9.717 8.105 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.474 -9.297 7.465 1.00 0.00 H new ATOM 160 N SER A 30 -5.004 -7.521 8.093 1.00 0.00 N ATOM 161 CA SER A 30 -5.836 -8.307 8.999 1.00 0.00 C ATOM 162 C SER A 30 -5.025 -8.788 10.197 1.00 0.00 C ATOM 163 O SER A 30 -5.479 -8.722 11.339 1.00 0.00 O ATOM 164 CB SER A 30 -6.438 -9.506 8.263 1.00 0.00 C ATOM 165 OG SER A 30 -7.713 -9.190 7.732 1.00 0.00 O ATOM 0 H SER A 30 -4.539 -8.063 7.365 1.00 0.00 H new ATOM 0 HA SER A 30 -6.643 -7.669 9.359 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.771 -9.815 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.524 -10.351 8.947 1.00 0.00 H new ATOM 0 HG SER A 30 -8.076 -9.972 7.265 1.00 0.00 H new ATOM 171 N LEU A 31 -3.821 -9.269 9.920 1.00 0.00 N ATOM 172 CA LEU A 31 -2.926 -9.765 10.958 1.00 0.00 C ATOM 173 C LEU A 31 -1.628 -10.249 10.329 1.00 0.00 C ATOM 174 O LEU A 31 -0.539 -9.812 10.701 1.00 0.00 O ATOM 175 CB LEU A 31 -3.589 -10.901 11.741 1.00 0.00 C ATOM 176 CG LEU A 31 -4.331 -11.932 10.886 1.00 0.00 C ATOM 177 CD1 LEU A 31 -3.478 -13.177 10.688 1.00 0.00 C ATOM 178 CD2 LEU A 31 -5.665 -12.295 11.522 1.00 0.00 C ATOM 0 H LEU A 31 -3.438 -9.327 8.976 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.707 -8.953 11.651 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.824 -11.416 12.321 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.292 -10.469 12.453 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.525 -11.490 9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.022 -13.898 10.078 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.549 -12.906 10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.251 -13.620 11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.177 -13.029 10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.493 -12.716 12.513 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.282 -11.400 11.610 1.00 0.00 H new ATOM 190 N LYS A 32 -1.760 -11.144 9.358 1.00 0.00 N ATOM 191 CA LYS A 32 -0.610 -11.686 8.648 1.00 0.00 C ATOM 192 C LYS A 32 -0.694 -11.359 7.156 1.00 0.00 C ATOM 193 O LYS A 32 0.103 -11.854 6.360 1.00 0.00 O ATOM 194 CB LYS A 32 -0.529 -13.201 8.846 1.00 0.00 C ATOM 195 CG LYS A 32 0.840 -13.783 8.532 1.00 0.00 C ATOM 196 CD LYS A 32 0.806 -15.304 8.490 1.00 0.00 C ATOM 197 CE LYS A 32 1.839 -15.912 9.425 1.00 0.00 C ATOM 198 NZ LYS A 32 2.119 -17.336 9.094 1.00 0.00 N ATOM 0 H LYS A 32 -2.658 -11.511 9.043 1.00 0.00 H new ATOM 0 HA LYS A 32 0.290 -11.226 9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.788 -13.439 9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.273 -13.682 8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.188 -13.400 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.557 -13.455 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.188 -15.654 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.991 -15.645 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.763 -15.338 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.484 -15.842 10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.828 -17.713 9.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.242 -17.890 9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.482 -17.401 8.122 1.00 0.00 H new ATOM 212 N HIS A 33 -1.672 -10.531 6.781 1.00 0.00 N ATOM 213 CA HIS A 33 -1.860 -10.155 5.383 1.00 0.00 C ATOM 214 C HIS A 33 -1.880 -8.641 5.207 1.00 0.00 C ATOM 215 O HIS A 33 -2.593 -7.932 5.913 1.00 0.00 O ATOM 216 CB HIS A 33 -3.167 -10.744 4.846 1.00 0.00 C ATOM 217 CG HIS A 33 -3.056 -12.182 4.452 1.00 0.00 C ATOM 218 ND1 HIS A 33 -3.712 -12.720 3.365 1.00 0.00 N ATOM 219 CD2 HIS A 33 -2.357 -13.196 5.007 1.00 0.00 C ATOM 220 CE1 HIS A 33 -3.421 -14.006 3.270 1.00 0.00 C ATOM 221 NE2 HIS A 33 -2.600 -14.319 4.256 1.00 0.00 N ATOM 0 H HIS A 33 -2.342 -10.111 7.425 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.016 -10.556 4.821 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.941 -10.643 5.606 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.490 -10.163 3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.724 -13.134 5.880 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.791 -14.684 2.516 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.210 -15.245 4.431 1.00 0.00 H new ATOM 230 N ILE A 34 -1.099 -8.161 4.247 1.00 0.00 N ATOM 231 CA ILE A 34 -1.019 -6.744 3.942 1.00 0.00 C ATOM 232 C ILE A 34 -1.486 -6.501 2.510 1.00 0.00 C ATOM 233 O ILE A 34 -1.072 -7.211 1.593 1.00 0.00 O ATOM 234 CB ILE A 34 0.425 -6.240 4.093 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.504 -4.744 3.803 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.349 -7.017 3.169 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.182 -3.891 5.004 1.00 0.00 C ATOM 0 H ILE A 34 -0.504 -8.746 3.660 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.659 -6.203 4.639 1.00 0.00 H new ATOM 0 HB ILE A 34 0.746 -6.402 5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.506 -4.501 3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.186 -4.500 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.370 -6.652 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.312 -8.076 3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.029 -6.881 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.256 -2.838 4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.831 -4.108 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.888 -4.109 5.805 1.00 0.00 H new ATOM 249 N TYR A 35 -2.359 -5.519 2.314 1.00 0.00 N ATOM 250 CA TYR A 35 -2.871 -5.239 0.978 1.00 0.00 C ATOM 251 C TYR A 35 -3.126 -3.751 0.755 1.00 0.00 C ATOM 252 O TYR A 35 -4.060 -3.184 1.319 1.00 0.00 O ATOM 253 CB TYR A 35 -4.173 -6.013 0.749 1.00 0.00 C ATOM 254 CG TYR A 35 -3.967 -7.489 0.486 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.561 -8.346 1.500 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.176 -8.023 -0.780 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.367 -9.692 1.262 1.00 0.00 C ATOM 258 CE2 TYR A 35 -3.985 -9.370 -1.025 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.580 -10.199 -0.002 1.00 0.00 C ATOM 260 OH TYR A 35 -3.388 -11.540 -0.243 1.00 0.00 O ATOM 0 H TYR A 35 -2.722 -4.913 3.050 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.108 -5.557 0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.814 -5.895 1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.703 -5.573 -0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.394 -7.953 2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.492 -7.376 -1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.050 -10.344 2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.153 -9.771 -2.014 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.582 -11.734 -1.184 1.00 0.00 H new ATOM 270 N ALA A 36 -2.320 -3.129 -0.102 1.00 0.00 N ATOM 271 CA ALA A 36 -2.500 -1.721 -0.422 1.00 0.00 C ATOM 272 C ALA A 36 -3.306 -1.588 -1.699 1.00 0.00 C ATOM 273 O ALA A 36 -2.931 -2.117 -2.745 1.00 0.00 O ATOM 274 CB ALA A 36 -1.168 -1.000 -0.564 1.00 0.00 C ATOM 0 H ALA A 36 -1.541 -3.577 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.039 -1.253 0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.346 0.049 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.615 -1.070 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.588 -1.461 -1.363 1.00 0.00 H new ATOM 280 N GLN A 37 -4.413 -0.884 -1.602 1.00 0.00 N ATOM 281 CA GLN A 37 -5.288 -0.675 -2.741 1.00 0.00 C ATOM 282 C GLN A 37 -5.268 0.783 -3.159 1.00 0.00 C ATOM 283 O GLN A 37 -5.734 1.659 -2.431 1.00 0.00 O ATOM 284 CB GLN A 37 -6.719 -1.108 -2.411 1.00 0.00 C ATOM 285 CG GLN A 37 -7.357 -1.971 -3.489 1.00 0.00 C ATOM 286 CD GLN A 37 -7.557 -3.407 -3.045 1.00 0.00 C ATOM 287 OE1 GLN A 37 -8.589 -4.017 -3.326 1.00 0.00 O ATOM 288 NE2 GLN A 37 -6.569 -3.954 -2.347 1.00 0.00 N ATOM 0 H GLN A 37 -4.732 -0.442 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.924 -1.285 -3.568 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.715 -1.659 -1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.332 -0.220 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.320 -1.544 -3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.730 -1.954 -4.381 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.731 -3.411 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.648 -4.917 -2.021 1.00 0.00 H new ATOM 297 N ILE A 38 -4.732 1.032 -4.339 1.00 0.00 N ATOM 298 CA ILE A 38 -4.655 2.380 -4.866 1.00 0.00 C ATOM 299 C ILE A 38 -5.836 2.620 -5.794 1.00 0.00 C ATOM 300 O ILE A 38 -5.838 2.188 -6.951 1.00 0.00 O ATOM 301 CB ILE A 38 -3.326 2.639 -5.605 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.205 1.716 -5.066 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.949 4.107 -5.475 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.299 2.337 -4.023 1.00 0.00 C ATOM 0 H ILE A 38 -4.343 0.316 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.692 3.077 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.453 2.406 -6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.665 0.825 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.593 1.388 -5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.010 4.289 -5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.733 4.724 -5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.833 4.361 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.550 1.609 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.803 3.211 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.892 2.639 -3.160 1.00 0.00 H new ATOM 316 N ILE A 39 -6.861 3.266 -5.245 1.00 0.00 N ATOM 317 CA ILE A 39 -8.100 3.532 -5.971 1.00 0.00 C ATOM 318 C ILE A 39 -8.176 4.948 -6.527 1.00 0.00 C ATOM 319 O ILE A 39 -7.467 5.850 -6.081 1.00 0.00 O ATOM 320 CB ILE A 39 -9.318 3.330 -5.045 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.155 2.062 -4.207 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.608 3.286 -5.848 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.692 2.342 -2.794 1.00 0.00 C ATOM 0 H ILE A 39 -6.857 3.619 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.111 2.830 -6.805 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.373 4.181 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.106 1.531 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.438 1.401 -4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.452 3.143 -5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.732 4.224 -6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.567 2.460 -6.558 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.595 1.402 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.726 2.847 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.420 2.979 -2.292 1.00 0.00 H new ATOM 335 N ASP A 40 -9.086 5.131 -7.479 1.00 0.00 N ATOM 336 CA ASP A 40 -9.329 6.427 -8.086 1.00 0.00 C ATOM 337 C ASP A 40 -10.463 7.107 -7.333 1.00 0.00 C ATOM 338 O ASP A 40 -11.604 6.621 -7.346 1.00 0.00 O ATOM 339 CB ASP A 40 -9.702 6.279 -9.565 1.00 0.00 C ATOM 340 CG ASP A 40 -9.121 7.384 -10.424 1.00 0.00 C ATOM 341 OD1 ASP A 40 -9.315 8.568 -10.079 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.472 7.065 -11.442 1.00 0.00 O ATOM 0 H ASP A 40 -9.673 4.383 -7.848 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.421 7.027 -8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.348 5.315 -9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.787 6.279 -9.664 1.00 0.00 H new ATOM 347 N ASP A 41 -10.126 8.208 -6.662 1.00 0.00 N ATOM 348 CA ASP A 41 -11.080 8.971 -5.857 1.00 0.00 C ATOM 349 C ASP A 41 -11.749 10.088 -6.659 1.00 0.00 C ATOM 350 O ASP A 41 -12.237 11.067 -6.095 1.00 0.00 O ATOM 351 CB ASP A 41 -10.382 9.559 -4.630 1.00 0.00 C ATOM 352 CG ASP A 41 -11.246 9.490 -3.385 1.00 0.00 C ATOM 353 OD1 ASP A 41 -11.614 8.368 -2.979 1.00 0.00 O ATOM 354 OD2 ASP A 41 -11.554 10.559 -2.817 1.00 0.00 O ATOM 0 H ASP A 41 -9.183 8.597 -6.661 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.861 8.280 -5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.450 9.021 -4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.118 10.598 -4.829 1.00 0.00 H new ATOM 359 N GLU A 42 -11.820 9.899 -7.966 1.00 0.00 N ATOM 360 CA GLU A 42 -12.488 10.844 -8.858 1.00 0.00 C ATOM 361 C GLU A 42 -13.740 10.139 -9.318 1.00 0.00 C ATOM 362 O GLU A 42 -14.860 10.639 -9.214 1.00 0.00 O ATOM 363 CB GLU A 42 -11.597 11.209 -10.049 1.00 0.00 C ATOM 364 CG GLU A 42 -12.313 12.007 -11.126 1.00 0.00 C ATOM 365 CD GLU A 42 -11.354 12.683 -12.086 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.275 12.112 -12.347 1.00 0.00 O ATOM 367 OE2 GLU A 42 -11.683 13.784 -12.577 1.00 0.00 O ATOM 0 H GLU A 42 -11.419 9.091 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.712 11.783 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.744 11.784 -9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.202 10.294 -10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.974 11.344 -11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.943 12.762 -10.655 1.00 0.00 H new ATOM 374 N LYS A 43 -13.502 8.910 -9.730 1.00 0.00 N ATOM 375 CA LYS A 43 -14.525 7.982 -10.117 1.00 0.00 C ATOM 376 C LYS A 43 -14.155 6.689 -9.422 1.00 0.00 C ATOM 377 O LYS A 43 -13.069 6.162 -9.654 1.00 0.00 O ATOM 378 CB LYS A 43 -14.551 7.792 -11.635 1.00 0.00 C ATOM 379 CG LYS A 43 -15.474 8.760 -12.356 1.00 0.00 C ATOM 380 CD LYS A 43 -14.721 9.988 -12.848 1.00 0.00 C ATOM 381 CE LYS A 43 -15.041 10.296 -14.302 1.00 0.00 C ATOM 382 NZ LYS A 43 -13.944 9.870 -15.214 1.00 0.00 N ATOM 0 H LYS A 43 -12.560 8.526 -9.804 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.519 8.332 -9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.540 7.910 -12.024 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.862 6.772 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.942 8.256 -13.202 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.276 9.068 -11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.980 10.847 -12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.649 9.826 -12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.965 9.792 -14.585 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.214 11.366 -14.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.201 10.097 -16.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.068 10.370 -14.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.796 8.845 -15.124 1.00 0.00 H new ATOM 396 N GLY A 44 -15.017 6.201 -8.541 1.00 0.00 N ATOM 397 CA GLY A 44 -14.699 4.991 -7.805 1.00 0.00 C ATOM 398 C GLY A 44 -14.097 3.922 -8.690 1.00 0.00 C ATOM 399 O GLY A 44 -14.819 3.121 -9.283 1.00 0.00 O ATOM 0 H GLY A 44 -15.923 6.616 -8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.002 5.230 -7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.604 4.605 -7.337 1.00 0.00 H new ATOM 403 N VAL A 45 -12.770 3.932 -8.813 1.00 0.00 N ATOM 404 CA VAL A 45 -12.101 2.966 -9.682 1.00 0.00 C ATOM 405 C VAL A 45 -10.820 2.400 -9.074 1.00 0.00 C ATOM 406 O VAL A 45 -9.826 3.104 -8.949 1.00 0.00 O ATOM 407 CB VAL A 45 -11.745 3.627 -11.029 1.00 0.00 C ATOM 408 CG1 VAL A 45 -11.030 2.644 -11.947 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.993 4.183 -11.701 1.00 0.00 C ATOM 0 H VAL A 45 -12.149 4.583 -8.333 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.802 2.143 -9.819 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.066 4.456 -10.830 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.790 3.135 -12.890 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.110 2.304 -11.471 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.677 1.788 -12.138 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.720 4.645 -12.650 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.700 3.374 -11.882 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.453 4.929 -11.053 1.00 0.00 H new ATOM 419 N THR A 46 -10.830 1.109 -8.748 1.00 0.00 N ATOM 420 CA THR A 46 -9.638 0.462 -8.208 1.00 0.00 C ATOM 421 C THR A 46 -8.639 0.240 -9.338 1.00 0.00 C ATOM 422 O THR A 46 -8.966 -0.386 -10.347 1.00 0.00 O ATOM 423 CB THR A 46 -9.992 -0.871 -7.541 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.288 -0.818 -6.972 1.00 0.00 O ATOM 425 CG2 THR A 46 -9.024 -1.269 -6.444 1.00 0.00 C ATOM 0 H THR A 46 -11.640 0.497 -8.847 1.00 0.00 H new ATOM 0 HA THR A 46 -9.197 1.106 -7.448 1.00 0.00 H new ATOM 0 HB THR A 46 -9.940 -1.615 -8.336 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.497 -1.679 -6.552 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.333 -2.222 -6.014 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.022 -1.367 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.020 -0.505 -5.667 1.00 0.00 H new ATOM 433 N LEU A 47 -7.436 0.781 -9.188 1.00 0.00 N ATOM 434 CA LEU A 47 -6.421 0.658 -10.229 1.00 0.00 C ATOM 435 C LEU A 47 -5.345 -0.359 -9.876 1.00 0.00 C ATOM 436 O LEU A 47 -5.186 -1.366 -10.568 1.00 0.00 O ATOM 437 CB LEU A 47 -5.776 2.014 -10.503 1.00 0.00 C ATOM 438 CG LEU A 47 -6.752 3.176 -10.613 1.00 0.00 C ATOM 439 CD1 LEU A 47 -7.048 3.765 -9.244 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.203 4.238 -11.551 1.00 0.00 C ATOM 0 H LEU A 47 -7.140 1.305 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.929 0.302 -11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.065 2.230 -9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.206 1.948 -11.430 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.689 2.802 -11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.748 4.594 -9.348 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.486 2.998 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.122 4.126 -8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.911 5.063 -11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.252 4.607 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.051 3.806 -12.540 1.00 0.00 H new ATOM 452 N VAL A 48 -4.584 -0.088 -8.821 1.00 0.00 N ATOM 453 CA VAL A 48 -3.509 -0.984 -8.426 1.00 0.00 C ATOM 454 C VAL A 48 -3.737 -1.571 -7.035 1.00 0.00 C ATOM 455 O VAL A 48 -4.256 -0.905 -6.140 1.00 0.00 O ATOM 456 CB VAL A 48 -2.149 -0.251 -8.478 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.169 -0.822 -7.467 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.571 -0.312 -9.885 1.00 0.00 C ATOM 0 H VAL A 48 -4.691 0.737 -8.231 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.499 -1.811 -9.136 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.319 0.793 -8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.224 -0.283 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.579 -0.716 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.000 -1.877 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.613 0.208 -9.908 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.426 -1.353 -10.174 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.260 0.165 -10.582 1.00 0.00 H new ATOM 468 N SER A 49 -3.330 -2.825 -6.871 1.00 0.00 N ATOM 469 CA SER A 49 -3.464 -3.524 -5.600 1.00 0.00 C ATOM 470 C SER A 49 -2.349 -4.552 -5.445 1.00 0.00 C ATOM 471 O SER A 49 -2.157 -5.407 -6.310 1.00 0.00 O ATOM 472 CB SER A 49 -4.829 -4.206 -5.507 1.00 0.00 C ATOM 473 OG SER A 49 -4.892 -5.343 -6.350 1.00 0.00 O ATOM 0 H SER A 49 -2.901 -3.382 -7.610 1.00 0.00 H new ATOM 0 HA SER A 49 -3.385 -2.796 -4.793 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.020 -4.503 -4.476 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.611 -3.500 -5.785 1.00 0.00 H new ATOM 0 HG SER A 49 -3.987 -5.594 -6.629 1.00 0.00 H new ATOM 479 N ALA A 50 -1.610 -4.459 -4.346 1.00 0.00 N ATOM 480 CA ALA A 50 -0.505 -5.380 -4.093 1.00 0.00 C ATOM 481 C ALA A 50 -0.568 -5.965 -2.687 1.00 0.00 C ATOM 482 O ALA A 50 -1.224 -5.419 -1.799 1.00 0.00 O ATOM 483 CB ALA A 50 0.831 -4.681 -4.306 1.00 0.00 C ATOM 0 H ALA A 50 -1.754 -3.759 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.598 -6.202 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.643 -5.382 -4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.895 -4.325 -5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.912 -3.835 -3.623 1.00 0.00 H new ATOM 489 N SER A 51 0.132 -7.078 -2.497 1.00 0.00 N ATOM 490 CA SER A 51 0.179 -7.751 -1.205 1.00 0.00 C ATOM 491 C SER A 51 1.546 -8.394 -0.993 1.00 0.00 C ATOM 492 O SER A 51 2.018 -9.160 -1.833 1.00 0.00 O ATOM 493 CB SER A 51 -0.922 -8.811 -1.120 1.00 0.00 C ATOM 494 OG SER A 51 -1.659 -8.882 -2.330 1.00 0.00 O ATOM 0 H SER A 51 0.678 -7.535 -3.227 1.00 0.00 H new ATOM 0 HA SER A 51 0.015 -7.012 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.479 -9.783 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.594 -8.576 -0.295 1.00 0.00 H new ATOM 0 HG SER A 51 -2.592 -8.634 -2.160 1.00 0.00 H new ATOM 500 N SER A 52 2.181 -8.074 0.129 1.00 0.00 N ATOM 501 CA SER A 52 3.502 -8.617 0.443 1.00 0.00 C ATOM 502 C SER A 52 3.485 -10.143 0.470 1.00 0.00 C ATOM 503 O SER A 52 4.306 -10.789 -0.182 1.00 0.00 O ATOM 504 CB SER A 52 4.003 -8.068 1.779 1.00 0.00 C ATOM 505 OG SER A 52 5.383 -7.749 1.714 1.00 0.00 O ATOM 0 H SER A 52 1.805 -7.443 0.837 1.00 0.00 H new ATOM 0 HA SER A 52 4.186 -8.303 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.433 -7.178 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.833 -8.804 2.565 1.00 0.00 H new ATOM 0 HG SER A 52 5.643 -7.254 2.519 1.00 0.00 H new ATOM 511 N LEU A 53 2.547 -10.716 1.219 1.00 0.00 N ATOM 512 CA LEU A 53 2.433 -12.170 1.320 1.00 0.00 C ATOM 513 C LEU A 53 2.151 -12.813 -0.041 1.00 0.00 C ATOM 514 O LEU A 53 2.202 -14.035 -0.177 1.00 0.00 O ATOM 515 CB LEU A 53 1.340 -12.560 2.329 1.00 0.00 C ATOM 516 CG LEU A 53 -0.111 -12.386 1.859 1.00 0.00 C ATOM 517 CD1 LEU A 53 -0.314 -11.032 1.199 1.00 0.00 C ATOM 518 CD2 LEU A 53 -0.509 -13.510 0.913 1.00 0.00 C ATOM 0 H LEU A 53 1.857 -10.199 1.764 1.00 0.00 H new ATOM 0 HA LEU A 53 3.392 -12.547 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.487 -13.604 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.481 -11.967 3.233 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.755 -12.432 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.351 -10.936 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.082 -10.241 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.345 -10.946 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.541 -13.367 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.146 -13.502 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.418 -14.467 1.427 1.00 0.00 H new ATOM 530 N ALA A 54 1.846 -11.990 -1.040 1.00 0.00 N ATOM 531 CA ALA A 54 1.549 -12.485 -2.379 1.00 0.00 C ATOM 532 C ALA A 54 2.814 -12.700 -3.202 1.00 0.00 C ATOM 533 O ALA A 54 3.004 -13.761 -3.797 1.00 0.00 O ATOM 534 CB ALA A 54 0.629 -11.516 -3.096 1.00 0.00 C ATOM 0 H ALA A 54 1.798 -10.975 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 54 1.057 -13.451 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.412 -11.893 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.301 -11.415 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.114 -10.543 -3.172 1.00 0.00 H new ATOM 540 N LEU A 55 3.672 -11.683 -3.248 1.00 0.00 N ATOM 541 CA LEU A 55 4.906 -11.761 -4.015 1.00 0.00 C ATOM 542 C LEU A 55 5.707 -13.002 -3.648 1.00 0.00 C ATOM 543 O LEU A 55 6.309 -13.641 -4.510 1.00 0.00 O ATOM 544 CB LEU A 55 5.760 -10.514 -3.781 1.00 0.00 C ATOM 545 CG LEU A 55 5.079 -9.183 -4.083 1.00 0.00 C ATOM 546 CD1 LEU A 55 4.500 -8.569 -2.818 1.00 0.00 C ATOM 547 CD2 LEU A 55 6.076 -8.237 -4.719 1.00 0.00 C ATOM 0 H LEU A 55 3.532 -10.797 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 55 4.635 -11.822 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.085 -10.508 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.658 -10.590 -4.395 1.00 0.00 H new ATOM 0 HG LEU A 55 4.256 -9.360 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.020 -7.621 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.764 -9.248 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.300 -8.397 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.589 -7.286 -4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.908 -8.071 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.450 -8.672 -5.646 1.00 0.00 H new ATOM 559 N LYS A 56 5.713 -13.337 -2.365 1.00 0.00 N ATOM 560 CA LYS A 56 6.448 -14.506 -1.892 1.00 0.00 C ATOM 561 C LYS A 56 6.318 -14.676 -0.383 1.00 0.00 C ATOM 562 O LYS A 56 6.325 -15.797 0.126 1.00 0.00 O ATOM 563 CB LYS A 56 7.926 -14.394 -2.274 1.00 0.00 C ATOM 564 CG LYS A 56 8.512 -13.010 -2.043 1.00 0.00 C ATOM 565 CD LYS A 56 10.019 -13.066 -1.847 1.00 0.00 C ATOM 566 CE LYS A 56 10.726 -11.979 -2.641 1.00 0.00 C ATOM 567 NZ LYS A 56 10.287 -10.617 -2.231 1.00 0.00 N ATOM 0 H LYS A 56 5.221 -12.821 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 56 6.014 -15.384 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.497 -15.122 -1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.042 -14.657 -3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.279 -12.369 -2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.047 -12.559 -1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.253 -12.955 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.391 -14.043 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.803 -12.070 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.529 -12.119 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.852 -9.904 -2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.282 -10.491 -2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.420 -10.503 -1.206 1.00 0.00 H new ATOM 581 N LEU A 57 6.212 -13.560 0.333 1.00 0.00 N ATOM 582 CA LEU A 57 6.096 -13.593 1.789 1.00 0.00 C ATOM 583 C LEU A 57 5.046 -14.605 2.240 1.00 0.00 C ATOM 584 O LEU A 57 3.990 -14.739 1.622 1.00 0.00 O ATOM 585 CB LEU A 57 5.741 -12.205 2.324 1.00 0.00 C ATOM 586 CG LEU A 57 6.929 -11.298 2.650 1.00 0.00 C ATOM 587 CD1 LEU A 57 6.454 -10.066 3.401 1.00 0.00 C ATOM 588 CD2 LEU A 57 7.977 -12.045 3.461 1.00 0.00 C ATOM 0 H LEU A 57 6.204 -12.623 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 57 7.061 -13.900 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.114 -11.701 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.141 -12.326 3.226 1.00 0.00 H new ATOM 0 HG LEU A 57 7.389 -10.984 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.307 -9.427 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.743 -9.516 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.971 -10.370 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.811 -11.378 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.535 -12.392 4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.337 -12.901 2.890 1.00 0.00 H new ATOM 600 N LYS A 58 5.348 -15.316 3.323 1.00 0.00 N ATOM 601 CA LYS A 58 4.433 -16.318 3.859 1.00 0.00 C ATOM 602 C LYS A 58 4.259 -16.157 5.368 1.00 0.00 C ATOM 603 O LYS A 58 3.153 -16.294 5.891 1.00 0.00 O ATOM 604 CB LYS A 58 4.942 -17.726 3.541 1.00 0.00 C ATOM 605 CG LYS A 58 6.433 -17.904 3.776 1.00 0.00 C ATOM 606 CD LYS A 58 6.825 -19.373 3.773 1.00 0.00 C ATOM 607 CE LYS A 58 6.567 -20.021 5.123 1.00 0.00 C ATOM 608 NZ LYS A 58 7.208 -21.361 5.228 1.00 0.00 N ATOM 0 H LYS A 58 6.218 -15.217 3.846 1.00 0.00 H new ATOM 0 HA LYS A 58 3.462 -16.171 3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.398 -18.446 4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.717 -17.958 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.990 -17.376 3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.708 -17.455 4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.262 -19.899 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.880 -19.468 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.946 -19.374 5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.493 -20.119 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.008 -21.769 6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.828 -21.986 4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.236 -21.265 5.105 1.00 0.00 H new ATOM 622 N GLY A 59 5.356 -15.871 6.066 1.00 0.00 N ATOM 623 CA GLY A 59 5.295 -15.705 7.507 1.00 0.00 C ATOM 624 C GLY A 59 5.582 -14.283 7.949 1.00 0.00 C ATOM 625 O GLY A 59 4.847 -13.719 8.759 1.00 0.00 O ATOM 0 H GLY A 59 6.284 -15.752 5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.306 -15.997 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.013 -16.378 7.976 1.00 0.00 H new ATOM 629 N ASN A 60 6.655 -13.701 7.420 1.00 0.00 N ATOM 630 CA ASN A 60 7.039 -12.335 7.769 1.00 0.00 C ATOM 631 C ASN A 60 5.862 -11.376 7.608 1.00 0.00 C ATOM 632 O ASN A 60 4.775 -11.777 7.191 1.00 0.00 O ATOM 633 CB ASN A 60 8.210 -11.876 6.900 1.00 0.00 C ATOM 634 CG ASN A 60 9.547 -12.348 7.436 1.00 0.00 C ATOM 635 OD1 ASN A 60 10.237 -13.147 6.800 1.00 0.00 O ATOM 636 ND2 ASN A 60 9.921 -11.857 8.611 1.00 0.00 N ATOM 0 H ASN A 60 7.275 -14.154 6.748 1.00 0.00 H new ATOM 0 HA ASN A 60 7.346 -12.328 8.815 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.075 -12.252 5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.209 -10.788 6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.811 -12.139 9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.318 -11.198 9.103 1.00 0.00 H new ATOM 643 N LYS A 61 6.083 -10.108 7.945 1.00 0.00 N ATOM 644 CA LYS A 61 5.032 -9.101 7.839 1.00 0.00 C ATOM 645 C LYS A 61 5.606 -7.733 7.475 1.00 0.00 C ATOM 646 O LYS A 61 5.370 -7.224 6.379 1.00 0.00 O ATOM 647 CB LYS A 61 4.244 -9.005 9.150 1.00 0.00 C ATOM 648 CG LYS A 61 5.083 -9.243 10.398 1.00 0.00 C ATOM 649 CD LYS A 61 4.931 -8.108 11.400 1.00 0.00 C ATOM 650 CE LYS A 61 4.976 -8.617 12.832 1.00 0.00 C ATOM 651 NZ LYS A 61 3.635 -8.572 13.479 1.00 0.00 N ATOM 0 H LYS A 61 6.975 -9.755 8.292 1.00 0.00 H new ATOM 0 HA LYS A 61 4.358 -9.412 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.787 -8.018 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.432 -9.731 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.785 -10.182 10.864 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.132 -9.344 10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.726 -7.378 11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.987 -7.592 11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.350 -9.641 12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.678 -8.016 13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.708 -8.927 14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.289 -7.591 13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.971 -9.166 12.943 1.00 0.00 H new ATOM 665 N THR A 62 6.353 -7.139 8.401 1.00 0.00 N ATOM 666 CA THR A 62 6.951 -5.827 8.176 1.00 0.00 C ATOM 667 C THR A 62 8.370 -5.947 7.625 1.00 0.00 C ATOM 668 O THR A 62 9.202 -5.065 7.834 1.00 0.00 O ATOM 669 CB THR A 62 6.963 -5.025 9.478 1.00 0.00 C ATOM 670 OG1 THR A 62 7.524 -5.788 10.531 1.00 0.00 O ATOM 671 CG2 THR A 62 5.585 -4.580 9.916 1.00 0.00 C ATOM 0 H THR A 62 6.559 -7.545 9.314 1.00 0.00 H new ATOM 0 HA THR A 62 6.345 -5.306 7.435 1.00 0.00 H new ATOM 0 HB THR A 62 7.564 -4.140 9.269 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.525 -5.258 11.355 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.663 -4.016 10.846 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.144 -3.949 9.145 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.953 -5.454 10.074 1.00 0.00 H new ATOM 679 N GLU A 63 8.639 -7.039 6.917 1.00 0.00 N ATOM 680 CA GLU A 63 9.957 -7.264 6.335 1.00 0.00 C ATOM 681 C GLU A 63 10.002 -6.767 4.894 1.00 0.00 C ATOM 682 O GLU A 63 10.874 -5.980 4.524 1.00 0.00 O ATOM 683 CB GLU A 63 10.312 -8.752 6.387 1.00 0.00 C ATOM 684 CG GLU A 63 11.808 -9.020 6.374 1.00 0.00 C ATOM 685 CD GLU A 63 12.178 -10.218 5.521 1.00 0.00 C ATOM 686 OE1 GLU A 63 12.307 -10.052 4.289 1.00 0.00 O ATOM 687 OE2 GLU A 63 12.337 -11.321 6.083 1.00 0.00 O ATOM 0 H GLU A 63 7.963 -7.781 6.733 1.00 0.00 H new ATOM 0 HA GLU A 63 10.688 -6.704 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.881 -9.189 7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.853 -9.257 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.328 -8.138 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.153 -9.185 7.395 1.00 0.00 H new ATOM 694 N VAL A 64 9.057 -7.233 4.085 1.00 0.00 N ATOM 695 CA VAL A 64 8.983 -6.839 2.683 1.00 0.00 C ATOM 696 C VAL A 64 8.037 -5.657 2.481 1.00 0.00 C ATOM 697 O VAL A 64 8.040 -5.035 1.423 1.00 0.00 O ATOM 698 CB VAL A 64 8.512 -8.009 1.795 1.00 0.00 C ATOM 699 CG1 VAL A 64 8.502 -7.610 0.326 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.390 -9.232 2.016 1.00 0.00 C ATOM 0 H VAL A 64 8.330 -7.886 4.377 1.00 0.00 H new ATOM 0 HA VAL A 64 9.991 -6.545 2.391 1.00 0.00 H new ATOM 0 HB VAL A 64 7.491 -8.262 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.166 -8.453 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.825 -6.768 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.508 -7.323 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.044 -10.048 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.422 -8.989 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.334 -9.536 3.061 1.00 0.00 H new ATOM 710 N ALA A 65 7.221 -5.360 3.495 1.00 0.00 N ATOM 711 CA ALA A 65 6.256 -4.261 3.422 1.00 0.00 C ATOM 712 C ALA A 65 6.733 -3.128 2.517 1.00 0.00 C ATOM 713 O ALA A 65 5.977 -2.615 1.701 1.00 0.00 O ATOM 714 CB ALA A 65 5.957 -3.729 4.809 1.00 0.00 C ATOM 0 H ALA A 65 7.210 -5.868 4.380 1.00 0.00 H new ATOM 0 HA ALA A 65 5.344 -4.665 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.238 -2.913 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.540 -4.527 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.877 -3.364 5.265 1.00 0.00 H new ATOM 720 N ARG A 66 7.995 -2.753 2.645 1.00 0.00 N ATOM 721 CA ARG A 66 8.546 -1.697 1.808 1.00 0.00 C ATOM 722 C ARG A 66 8.568 -2.155 0.379 1.00 0.00 C ATOM 723 O ARG A 66 7.915 -1.583 -0.490 1.00 0.00 O ATOM 724 CB ARG A 66 9.952 -1.342 2.243 1.00 0.00 C ATOM 725 CG ARG A 66 10.098 0.123 2.544 1.00 0.00 C ATOM 726 CD ARG A 66 11.191 0.753 1.718 1.00 0.00 C ATOM 727 NE ARG A 66 12.480 0.094 1.913 1.00 0.00 N ATOM 728 CZ ARG A 66 13.283 0.329 2.949 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.934 1.203 3.884 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.439 -0.313 3.049 1.00 0.00 N ATOM 0 H ARG A 66 8.652 -3.158 3.312 1.00 0.00 H new ATOM 0 HA ARG A 66 7.918 -0.812 1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.214 -1.921 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.655 -1.622 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.154 0.631 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.318 0.257 3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.918 0.709 0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.280 1.807 1.980 1.00 0.00 H new ATOM 0 HE ARG A 66 12.783 -0.586 1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.046 1.700 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.554 1.378 4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.712 -0.986 2.333 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.055 -0.134 3.842 1.00 0.00 H new ATOM 744 N GLN A 67 9.307 -3.220 0.156 1.00 0.00 N ATOM 745 CA GLN A 67 9.400 -3.815 -1.163 1.00 0.00 C ATOM 746 C GLN A 67 7.994 -3.982 -1.738 1.00 0.00 C ATOM 747 O GLN A 67 7.797 -3.971 -2.956 1.00 0.00 O ATOM 748 CB GLN A 67 10.111 -5.166 -1.091 1.00 0.00 C ATOM 749 CG GLN A 67 11.618 -5.070 -1.267 1.00 0.00 C ATOM 750 CD GLN A 67 12.372 -5.287 0.030 1.00 0.00 C ATOM 751 OE1 GLN A 67 13.194 -4.463 0.430 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.096 -6.403 0.696 1.00 0.00 N ATOM 0 H GLN A 67 9.855 -3.695 0.873 1.00 0.00 H new ATOM 0 HA GLN A 67 9.982 -3.162 -1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.895 -5.630 -0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.705 -5.823 -1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.942 -5.809 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.871 -4.090 -1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.407 -7.059 0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.573 -6.603 1.575 1.00 0.00 H new ATOM 761 N VAL A 68 7.002 -4.096 -0.849 1.00 0.00 N ATOM 762 CA VAL A 68 5.627 -4.219 -1.302 1.00 0.00 C ATOM 763 C VAL A 68 5.122 -2.857 -1.738 1.00 0.00 C ATOM 764 O VAL A 68 4.381 -2.739 -2.715 1.00 0.00 O ATOM 765 CB VAL A 68 4.673 -4.843 -0.243 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.993 -3.801 0.646 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.620 -5.674 -0.949 1.00 0.00 C ATOM 0 H VAL A 68 7.127 -4.105 0.163 1.00 0.00 H new ATOM 0 HA VAL A 68 5.627 -4.913 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 68 5.284 -5.463 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.342 -4.303 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.751 -3.230 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.401 -3.126 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.949 -6.114 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.049 -5.039 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.104 -6.468 -1.518 1.00 0.00 H new ATOM 777 N GLY A 69 5.556 -1.822 -1.020 1.00 0.00 N ATOM 778 CA GLY A 69 5.159 -0.481 -1.368 1.00 0.00 C ATOM 779 C GLY A 69 5.878 -0.015 -2.605 1.00 0.00 C ATOM 780 O GLY A 69 5.358 0.798 -3.349 1.00 0.00 O ATOM 0 H GLY A 69 6.171 -1.895 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.082 -0.447 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.376 0.194 -0.540 1.00 0.00 H new ATOM 784 N ARG A 70 7.079 -0.544 -2.835 1.00 0.00 N ATOM 785 CA ARG A 70 7.837 -0.177 -4.020 1.00 0.00 C ATOM 786 C ARG A 70 7.140 -0.773 -5.225 1.00 0.00 C ATOM 787 O ARG A 70 7.062 -0.152 -6.276 1.00 0.00 O ATOM 788 CB ARG A 70 9.300 -0.640 -3.924 1.00 0.00 C ATOM 789 CG ARG A 70 9.530 -2.101 -4.282 1.00 0.00 C ATOM 790 CD ARG A 70 10.981 -2.360 -4.653 1.00 0.00 C ATOM 791 NE ARG A 70 11.361 -3.754 -4.438 1.00 0.00 N ATOM 792 CZ ARG A 70 12.608 -4.207 -4.543 1.00 0.00 C ATOM 793 NH1 ARG A 70 13.598 -3.381 -4.860 1.00 0.00 N ATOM 794 NH2 ARG A 70 12.867 -5.491 -4.331 1.00 0.00 N ATOM 0 H ARG A 70 7.539 -1.218 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 70 7.872 0.908 -4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.907 -0.019 -4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.655 -0.469 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.251 -2.732 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.885 -2.379 -5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.140 -2.098 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.628 -1.713 -4.061 1.00 0.00 H new ATOM 0 HE ARG A 70 10.628 -4.419 -4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.405 -2.393 -5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.552 -3.734 -4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.111 -6.130 -4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.823 -5.839 -4.411 1.00 0.00 H new ATOM 808 N ALA A 71 6.592 -1.971 -5.044 1.00 0.00 N ATOM 809 CA ALA A 71 5.852 -2.623 -6.107 1.00 0.00 C ATOM 810 C ALA A 71 4.518 -1.913 -6.298 1.00 0.00 C ATOM 811 O ALA A 71 4.052 -1.733 -7.419 1.00 0.00 O ATOM 812 CB ALA A 71 5.631 -4.089 -5.788 1.00 0.00 C ATOM 0 H ALA A 71 6.648 -2.503 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 71 6.429 -2.566 -7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.074 -4.558 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.594 -4.586 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.065 -4.178 -4.860 1.00 0.00 H new ATOM 818 N LEU A 72 3.924 -1.487 -5.183 1.00 0.00 N ATOM 819 CA LEU A 72 2.657 -0.766 -5.214 1.00 0.00 C ATOM 820 C LEU A 72 2.862 0.587 -5.869 1.00 0.00 C ATOM 821 O LEU A 72 2.086 1.012 -6.723 1.00 0.00 O ATOM 822 CB LEU A 72 2.121 -0.563 -3.794 1.00 0.00 C ATOM 823 CG LEU A 72 1.550 -1.811 -3.126 1.00 0.00 C ATOM 824 CD1 LEU A 72 1.821 -1.789 -1.629 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.057 -1.919 -3.394 1.00 0.00 C ATOM 0 H LEU A 72 4.303 -1.630 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 72 1.935 -1.351 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.927 -0.175 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.344 0.201 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 72 2.043 -2.685 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.406 -2.687 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.896 -1.756 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.355 -0.908 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.336 -2.814 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.449 -1.040 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.116 -1.981 -4.468 1.00 0.00 H new ATOM 837 N ALA A 73 3.928 1.251 -5.450 1.00 0.00 N ATOM 838 CA ALA A 73 4.280 2.557 -5.971 1.00 0.00 C ATOM 839 C ALA A 73 4.808 2.448 -7.379 1.00 0.00 C ATOM 840 O ALA A 73 4.661 3.369 -8.174 1.00 0.00 O ATOM 841 CB ALA A 73 5.297 3.241 -5.071 1.00 0.00 C ATOM 0 H ALA A 73 4.570 0.898 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 73 3.376 3.166 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.546 4.219 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.876 3.363 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.199 2.632 -5.012 1.00 0.00 H new ATOM 847 N GLU A 74 5.392 1.307 -7.696 1.00 0.00 N ATOM 848 CA GLU A 74 5.901 1.077 -9.027 1.00 0.00 C ATOM 849 C GLU A 74 4.724 0.730 -9.930 1.00 0.00 C ATOM 850 O GLU A 74 4.714 1.039 -11.122 1.00 0.00 O ATOM 851 CB GLU A 74 6.945 -0.035 -9.002 1.00 0.00 C ATOM 852 CG GLU A 74 8.311 0.427 -8.517 1.00 0.00 C ATOM 853 CD GLU A 74 9.144 -0.707 -7.953 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.554 -1.717 -7.515 1.00 0.00 O ATOM 855 OE2 GLU A 74 10.387 -0.585 -7.948 1.00 0.00 O ATOM 0 H GLU A 74 5.523 0.530 -7.049 1.00 0.00 H new ATOM 0 HA GLU A 74 6.394 1.969 -9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.592 -0.840 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.046 -0.451 -10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.848 0.891 -9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.181 1.193 -7.752 1.00 0.00 H new ATOM 862 N LYS A 75 3.712 0.121 -9.316 1.00 0.00 N ATOM 863 CA LYS A 75 2.483 -0.244 -9.991 1.00 0.00 C ATOM 864 C LYS A 75 1.669 1.003 -10.267 1.00 0.00 C ATOM 865 O LYS A 75 1.518 1.435 -11.409 1.00 0.00 O ATOM 866 CB LYS A 75 1.678 -1.179 -9.093 1.00 0.00 C ATOM 867 CG LYS A 75 2.023 -2.623 -9.305 1.00 0.00 C ATOM 868 CD LYS A 75 0.824 -3.530 -9.087 1.00 0.00 C ATOM 869 CE LYS A 75 0.959 -4.828 -9.867 1.00 0.00 C ATOM 870 NZ LYS A 75 0.147 -5.923 -9.269 1.00 0.00 N ATOM 0 H LYS A 75 3.729 -0.132 -8.328 1.00 0.00 H new ATOM 0 HA LYS A 75 2.717 -0.743 -10.932 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.855 -0.917 -8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.615 -1.032 -9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.403 -2.761 -10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.823 -2.909 -8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.722 -3.751 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.085 -3.013 -9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.646 -4.666 -10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.007 -5.127 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.267 -6.790 -9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.462 -6.096 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.856 -5.649 -9.265 1.00 0.00 H new ATOM 884 N ALA A 76 1.163 1.580 -9.185 1.00 0.00 N ATOM 885 CA ALA A 76 0.365 2.804 -9.257 1.00 0.00 C ATOM 886 C ALA A 76 1.032 3.816 -10.176 1.00 0.00 C ATOM 887 O ALA A 76 0.385 4.458 -11.005 1.00 0.00 O ATOM 888 CB ALA A 76 0.180 3.412 -7.874 1.00 0.00 C ATOM 0 H ALA A 76 1.291 1.219 -8.239 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.615 2.545 -9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.416 4.321 -7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.331 2.698 -7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.154 3.653 -7.449 1.00 0.00 H new ATOM 894 N LEU A 77 2.343 3.939 -10.026 1.00 0.00 N ATOM 895 CA LEU A 77 3.117 4.851 -10.845 1.00 0.00 C ATOM 896 C LEU A 77 2.910 4.559 -12.324 1.00 0.00 C ATOM 897 O LEU A 77 2.810 5.471 -13.144 1.00 0.00 O ATOM 898 CB LEU A 77 4.599 4.738 -10.505 1.00 0.00 C ATOM 899 CG LEU A 77 5.113 5.711 -9.447 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.585 5.451 -9.165 1.00 0.00 C ATOM 901 CD2 LEU A 77 4.899 7.148 -9.897 1.00 0.00 C ATOM 0 H LEU A 77 2.891 3.416 -9.343 1.00 0.00 H new ATOM 0 HA LEU A 77 2.775 5.865 -10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.798 3.722 -10.165 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.175 4.887 -11.419 1.00 0.00 H new ATOM 0 HG LEU A 77 4.551 5.555 -8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.940 6.151 -8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.711 4.431 -8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.160 5.584 -10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.271 7.828 -9.131 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.437 7.321 -10.829 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.835 7.325 -10.054 1.00 0.00 H new ATOM 913 N ALA A 78 2.848 3.276 -12.651 1.00 0.00 N ATOM 914 CA ALA A 78 2.652 2.842 -14.025 1.00 0.00 C ATOM 915 C ALA A 78 1.429 3.514 -14.643 1.00 0.00 C ATOM 916 O ALA A 78 1.350 3.684 -15.860 1.00 0.00 O ATOM 917 CB ALA A 78 2.531 1.333 -14.066 1.00 0.00 C ATOM 0 H ALA A 78 2.931 2.514 -11.978 1.00 0.00 H new ATOM 0 HA ALA A 78 3.516 3.140 -14.619 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.384 1.008 -15.096 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.442 0.884 -13.670 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.680 1.020 -13.462 1.00 0.00 H new ATOM 923 N LEU A 79 0.496 3.931 -13.791 1.00 0.00 N ATOM 924 CA LEU A 79 -0.698 4.626 -14.244 1.00 0.00 C ATOM 925 C LEU A 79 -0.414 6.120 -14.271 1.00 0.00 C ATOM 926 O LEU A 79 -0.992 6.871 -15.057 1.00 0.00 O ATOM 927 CB LEU A 79 -1.900 4.366 -13.318 1.00 0.00 C ATOM 928 CG LEU A 79 -1.789 3.190 -12.339 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.345 3.593 -10.981 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.532 1.977 -12.880 1.00 0.00 C ATOM 0 H LEU A 79 0.547 3.798 -12.781 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.950 4.254 -15.237 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.083 5.271 -12.739 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.779 4.204 -13.942 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.738 2.924 -12.224 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.263 2.753 -10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.778 4.439 -10.592 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.392 3.876 -11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.444 1.151 -12.174 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.584 2.226 -13.017 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.101 1.683 -13.837 1.00 0.00 H new ATOM 942 N GLY A 80 0.482 6.533 -13.382 1.00 0.00 N ATOM 943 CA GLY A 80 0.854 7.923 -13.270 1.00 0.00 C ATOM 944 C GLY A 80 0.413 8.514 -11.948 1.00 0.00 C ATOM 945 O GLY A 80 0.383 9.734 -11.785 1.00 0.00 O ATOM 0 H GLY A 80 0.962 5.915 -12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.935 8.020 -13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.407 8.487 -14.088 1.00 0.00 H new ATOM 949 N ILE A 81 0.073 7.645 -10.996 1.00 0.00 N ATOM 950 CA ILE A 81 -0.361 8.093 -9.683 1.00 0.00 C ATOM 951 C ILE A 81 0.827 8.554 -8.866 1.00 0.00 C ATOM 952 O ILE A 81 1.648 7.756 -8.414 1.00 0.00 O ATOM 953 CB ILE A 81 -1.154 6.991 -8.935 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.558 6.798 -9.545 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.272 7.316 -7.449 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.877 7.699 -10.724 1.00 0.00 C ATOM 0 H ILE A 81 0.091 6.632 -11.113 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.036 8.937 -9.824 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.599 6.059 -9.047 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.660 5.760 -9.863 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.302 6.967 -8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.833 6.527 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.276 7.387 -7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.792 8.266 -7.324 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.885 7.487 -11.081 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.814 8.742 -10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.162 7.516 -11.526 1.00 0.00 H new ATOM 968 N LYS A 82 0.912 9.864 -8.709 1.00 0.00 N ATOM 969 CA LYS A 82 1.986 10.482 -7.985 1.00 0.00 C ATOM 970 C LYS A 82 1.586 10.784 -6.546 1.00 0.00 C ATOM 971 O LYS A 82 2.317 10.471 -5.608 1.00 0.00 O ATOM 972 CB LYS A 82 2.376 11.765 -8.698 1.00 0.00 C ATOM 973 CG LYS A 82 3.596 12.383 -8.099 1.00 0.00 C ATOM 974 CD LYS A 82 4.444 13.097 -9.139 1.00 0.00 C ATOM 975 CE LYS A 82 5.334 12.125 -9.896 1.00 0.00 C ATOM 976 NZ LYS A 82 4.618 11.489 -11.037 1.00 0.00 N ATOM 0 H LYS A 82 0.230 10.523 -9.085 1.00 0.00 H new ATOM 0 HA LYS A 82 2.832 9.795 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.555 11.555 -9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.549 12.473 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.300 13.091 -7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.192 11.610 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.795 13.621 -9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.061 13.852 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.213 12.652 -10.267 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.690 11.352 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.264 11.404 -11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.288 10.543 -10.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.802 12.075 -11.305 1.00 0.00 H new ATOM 990 N GLN A 83 0.421 11.397 -6.381 1.00 0.00 N ATOM 991 CA GLN A 83 -0.080 11.743 -5.058 1.00 0.00 C ATOM 992 C GLN A 83 -1.377 11.001 -4.772 1.00 0.00 C ATOM 993 O GLN A 83 -2.301 11.015 -5.585 1.00 0.00 O ATOM 994 CB GLN A 83 -0.301 13.253 -4.949 1.00 0.00 C ATOM 995 CG GLN A 83 0.479 13.893 -3.816 1.00 0.00 C ATOM 996 CD GLN A 83 -0.401 14.698 -2.879 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.272 15.448 -3.318 1.00 0.00 O ATOM 998 NE2 GLN A 83 -0.175 14.546 -1.579 1.00 0.00 N ATOM 0 H GLN A 83 -0.195 11.665 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 83 0.664 11.445 -4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.015 13.724 -5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.364 13.448 -4.805 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.991 13.116 -3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.249 14.543 -4.232 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.558 13.913 -1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.735 15.062 -0.900 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.443 10.347 -3.618 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.636 9.598 -3.248 1.00 0.00 C ATOM 1009 C VAL A 84 -3.293 10.164 -1.997 1.00 0.00 C ATOM 1010 O VAL A 84 -2.682 10.917 -1.238 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.344 8.098 -3.006 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.424 7.240 -3.631 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.986 7.693 -3.546 1.00 0.00 C ATOM 0 H VAL A 84 -0.692 10.320 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.312 9.696 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.336 7.940 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.203 6.188 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.388 7.489 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.460 7.425 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.820 6.633 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.951 7.879 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.209 8.276 -3.051 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.542 9.771 -1.787 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.308 10.201 -0.627 1.00 0.00 C ATOM 1025 C ALA A 85 -5.476 9.037 0.338 1.00 0.00 C ATOM 1026 O ALA A 85 -6.241 8.110 0.076 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.666 10.737 -1.057 1.00 0.00 C ATOM 0 H ALA A 85 -5.051 9.147 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.769 11.003 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.227 11.054 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.527 11.587 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.218 9.954 -1.576 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.745 9.074 1.444 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.809 8.001 2.425 1.00 0.00 C ATOM 1035 C PHE A 86 -6.012 8.155 3.347 1.00 0.00 C ATOM 1036 O PHE A 86 -6.090 9.092 4.142 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.520 7.949 3.244 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.960 6.562 3.370 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.319 5.957 2.299 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -3.083 5.859 4.557 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.811 4.677 2.414 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.580 4.579 4.676 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.943 3.987 3.604 1.00 0.00 C ATOM 0 H PHE A 86 -4.105 9.831 1.683 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.923 7.064 1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.775 8.595 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.712 8.349 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.216 6.491 1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.579 6.318 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.311 4.216 1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.685 4.041 5.607 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.548 2.986 3.695 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.944 7.215 3.235 1.00 0.00 N ATOM 1054 CA ASP A 87 -8.148 7.218 4.054 1.00 0.00 C ATOM 1055 C ASP A 87 -8.414 5.819 4.601 1.00 0.00 C ATOM 1056 O ASP A 87 -9.546 5.334 4.578 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.348 7.703 3.237 1.00 0.00 C ATOM 1058 CG ASP A 87 -10.195 8.707 3.994 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -10.202 8.658 5.242 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -10.851 9.544 3.339 1.00 0.00 O ATOM 0 H ASP A 87 -6.886 6.436 2.579 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.999 7.901 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.994 8.155 2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.964 6.848 2.959 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.352 5.176 5.085 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.439 3.825 5.640 1.00 0.00 C ATOM 1067 C ARG A 88 -8.697 3.647 6.488 1.00 0.00 C ATOM 1068 O ARG A 88 -9.427 2.667 6.337 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.202 3.531 6.487 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.931 4.590 7.543 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.441 4.775 7.781 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.166 5.854 8.728 1.00 0.00 N ATOM 1073 CZ ARG A 88 -4.356 7.144 8.459 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -4.826 7.522 7.277 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -4.077 8.060 9.376 1.00 0.00 N ATOM 0 H ARG A 88 -6.413 5.573 5.104 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.491 3.124 4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.326 2.564 6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.334 3.449 5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.370 5.537 7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.417 4.306 8.477 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.016 3.845 8.158 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.947 4.990 6.834 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.807 5.604 9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.044 6.822 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.969 8.512 7.078 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.717 7.776 10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.222 9.048 9.170 1.00 0.00 H new ATOM 1089 N GLY A 89 -8.940 4.601 7.380 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.106 4.535 8.242 1.00 0.00 C ATOM 1091 C GLY A 89 -9.734 4.492 9.714 1.00 0.00 C ATOM 1092 O GLY A 89 -9.188 5.461 10.241 1.00 0.00 O ATOM 0 H GLY A 89 -8.349 5.420 7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.742 5.400 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.691 3.650 7.991 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.014 3.376 10.411 1.00 0.00 N ATOM 1097 CA PRO A 90 -9.695 3.235 11.831 1.00 0.00 C ATOM 1098 C PRO A 90 -8.231 2.870 12.067 1.00 0.00 C ATOM 1099 O PRO A 90 -7.749 2.902 13.200 1.00 0.00 O ATOM 1100 CB PRO A 90 -10.607 2.094 12.271 1.00 0.00 C ATOM 1101 CG PRO A 90 -10.740 1.237 11.059 1.00 0.00 C ATOM 1102 CD PRO A 90 -10.663 2.163 9.872 1.00 0.00 C ATOM 0 HA PRO A 90 -9.844 4.164 12.382 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.176 1.539 13.104 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.576 2.466 12.603 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.946 0.491 11.022 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.686 0.695 11.068 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.081 1.725 9.061 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.653 2.383 9.472 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.528 2.521 10.992 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.121 2.147 11.086 1.00 0.00 C ATOM 1112 C TYR A 91 -5.294 3.263 11.717 1.00 0.00 C ATOM 1113 O TYR A 91 -5.406 4.428 11.335 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.567 1.817 9.699 1.00 0.00 C ATOM 1115 CG TYR A 91 -5.881 0.414 9.229 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.113 -0.171 9.494 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -4.944 -0.323 8.516 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.401 -1.452 9.062 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.225 -1.603 8.079 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.455 -2.163 8.355 1.00 0.00 C ATOM 1121 OH TYR A 91 -6.738 -3.438 7.922 1.00 0.00 O ATOM 0 H TYR A 91 -7.910 2.490 10.047 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.052 1.265 11.723 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.970 2.529 8.979 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.485 1.952 9.709 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.857 0.384 10.046 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.979 0.112 8.300 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.363 -1.894 9.277 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.486 -2.162 7.524 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.326 -4.088 8.528 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.457 2.893 12.679 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.597 3.850 13.364 1.00 0.00 C ATOM 1133 C LYS A 92 -2.132 3.502 13.126 1.00 0.00 C ATOM 1134 O LYS A 92 -1.803 2.347 12.856 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.897 3.858 14.864 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.246 5.010 15.611 1.00 0.00 C ATOM 1137 CD LYS A 92 -3.962 6.324 15.344 1.00 0.00 C ATOM 1138 CE LYS A 92 -3.200 7.182 14.346 1.00 0.00 C ATOM 1139 NZ LYS A 92 -3.869 8.492 14.115 1.00 0.00 N ATOM 0 H LYS A 92 -4.356 1.931 13.004 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.795 4.844 12.963 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.976 3.906 15.009 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.558 2.917 15.298 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.253 4.801 16.681 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.202 5.096 15.310 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.963 6.123 14.963 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.081 6.871 16.279 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.187 7.351 14.712 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.112 6.647 13.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.318 9.047 13.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.826 8.332 13.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.930 9.014 15.013 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.254 4.500 13.221 1.00 0.00 N ATOM 1154 CA TYR A 93 0.175 4.276 13.007 1.00 0.00 C ATOM 1155 C TYR A 93 0.639 3.021 13.743 1.00 0.00 C ATOM 1156 O TYR A 93 0.697 2.991 14.972 1.00 0.00 O ATOM 1157 CB TYR A 93 0.988 5.494 13.456 1.00 0.00 C ATOM 1158 CG TYR A 93 2.271 5.689 12.674 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.332 5.397 11.316 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.424 6.153 13.296 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.501 5.562 10.601 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.598 6.324 12.586 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.632 6.026 11.239 1.00 0.00 C ATOM 1164 OH TYR A 93 5.799 6.192 10.531 1.00 0.00 O ATOM 0 H TYR A 93 -1.504 5.464 13.443 1.00 0.00 H new ATOM 0 HA TYR A 93 0.340 4.129 11.940 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.372 6.388 13.357 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.229 5.389 14.514 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.449 5.034 10.811 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.403 6.384 14.351 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.530 5.329 9.547 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.484 6.689 13.083 1.00 0.00 H new ATOM 0 HH TYR A 93 6.500 6.527 11.129 1.00 0.00 H new ATOM 1174 N HIS A 94 0.937 1.979 12.974 1.00 0.00 N ATOM 1175 CA HIS A 94 1.363 0.700 13.536 1.00 0.00 C ATOM 1176 C HIS A 94 2.775 0.320 13.059 1.00 0.00 C ATOM 1177 O HIS A 94 3.711 1.103 13.212 1.00 0.00 O ATOM 1178 CB HIS A 94 0.334 -0.372 13.157 1.00 0.00 C ATOM 1179 CG HIS A 94 0.200 -1.461 14.176 1.00 0.00 C ATOM 1180 ND1 HIS A 94 0.312 -1.240 15.533 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -0.041 -2.786 14.032 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.148 -2.381 16.178 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -0.068 -3.334 15.290 1.00 0.00 N ATOM 0 H HIS A 94 0.891 1.995 11.955 1.00 0.00 H new ATOM 0 HA HIS A 94 1.414 0.781 14.622 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.637 0.102 13.015 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.616 -0.813 12.201 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.185 -3.313 13.101 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.184 -2.512 17.249 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.229 -4.318 15.504 1.00 0.00 H new ATOM 1192 N GLY A 95 2.929 -0.877 12.480 1.00 0.00 N ATOM 1193 CA GLY A 95 4.230 -1.307 11.998 1.00 0.00 C ATOM 1194 C GLY A 95 4.211 -1.725 10.534 1.00 0.00 C ATOM 1195 O GLY A 95 5.266 -1.894 9.921 1.00 0.00 O ATOM 0 H GLY A 95 2.176 -1.550 12.339 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.947 -0.496 12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.579 -2.143 12.605 1.00 0.00 H new ATOM 1199 N ARG A 96 3.014 -1.889 9.968 1.00 0.00 N ATOM 1200 CA ARG A 96 2.873 -2.287 8.567 1.00 0.00 C ATOM 1201 C ARG A 96 2.832 -1.061 7.658 1.00 0.00 C ATOM 1202 O ARG A 96 3.765 -0.814 6.894 1.00 0.00 O ATOM 1203 CB ARG A 96 1.606 -3.128 8.371 1.00 0.00 C ATOM 1204 CG ARG A 96 1.248 -3.997 9.568 1.00 0.00 C ATOM 1205 CD ARG A 96 2.200 -5.174 9.709 1.00 0.00 C ATOM 1206 NE ARG A 96 1.581 -6.296 10.411 1.00 0.00 N ATOM 1207 CZ ARG A 96 1.312 -6.296 11.715 1.00 0.00 C ATOM 1208 NH1 ARG A 96 1.612 -5.241 12.462 1.00 0.00 N ATOM 1209 NH2 ARG A 96 0.743 -7.355 12.274 1.00 0.00 N ATOM 0 H ARG A 96 2.130 -1.753 10.458 1.00 0.00 H new ATOM 0 HA ARG A 96 3.740 -2.890 8.299 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.770 -2.462 8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.738 -3.767 7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.275 -3.395 10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.228 -4.364 9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.524 -5.499 8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.092 -4.856 10.248 1.00 0.00 H new ATOM 0 HE ARG A 96 1.341 -7.127 9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.051 -4.424 12.038 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.403 -5.247 13.460 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.511 -8.169 11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.537 -7.355 13.273 1.00 0.00 H new ATOM 1223 N VAL A 97 1.743 -0.297 7.754 1.00 0.00 N ATOM 1224 CA VAL A 97 1.553 0.913 6.962 1.00 0.00 C ATOM 1225 C VAL A 97 2.847 1.706 6.805 1.00 0.00 C ATOM 1226 O VAL A 97 3.021 2.411 5.829 1.00 0.00 O ATOM 1227 CB VAL A 97 0.483 1.823 7.601 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.267 3.081 6.777 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.822 1.066 7.773 1.00 0.00 C ATOM 0 H VAL A 97 0.968 -0.502 8.385 1.00 0.00 H new ATOM 0 HA VAL A 97 1.224 0.589 5.975 1.00 0.00 H new ATOM 0 HB VAL A 97 0.842 2.126 8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.492 3.702 7.253 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.202 3.638 6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.064 2.807 5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.566 1.722 8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.178 0.729 6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.660 0.203 8.418 1.00 0.00 H new ATOM 1239 N LYS A 98 3.748 1.592 7.770 1.00 0.00 N ATOM 1240 CA LYS A 98 5.009 2.306 7.714 1.00 0.00 C ATOM 1241 C LYS A 98 5.850 1.838 6.534 1.00 0.00 C ATOM 1242 O LYS A 98 5.840 2.456 5.470 1.00 0.00 O ATOM 1243 CB LYS A 98 5.781 2.103 9.010 1.00 0.00 C ATOM 1244 CG LYS A 98 5.480 3.157 10.047 1.00 0.00 C ATOM 1245 CD LYS A 98 4.600 2.604 11.161 1.00 0.00 C ATOM 1246 CE LYS A 98 3.124 2.610 10.774 1.00 0.00 C ATOM 1247 NZ LYS A 98 2.619 1.252 10.426 1.00 0.00 N ATOM 0 H LYS A 98 3.627 1.011 8.600 1.00 0.00 H new ATOM 0 HA LYS A 98 4.793 3.366 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.543 1.121 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.849 2.108 8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.413 3.531 10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.982 4.004 9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.910 1.586 11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.741 3.198 12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.537 3.012 11.600 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.977 3.277 9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.178 1.276 9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.411 0.578 10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.915 0.953 11.130 1.00 0.00 H new ATOM 1261 N ALA A 99 6.576 0.739 6.733 1.00 0.00 N ATOM 1262 CA ALA A 99 7.428 0.179 5.693 1.00 0.00 C ATOM 1263 C ALA A 99 6.699 0.120 4.357 1.00 0.00 C ATOM 1264 O ALA A 99 7.282 0.388 3.311 1.00 0.00 O ATOM 1265 CB ALA A 99 7.903 -1.209 6.098 1.00 0.00 C ATOM 0 H ALA A 99 6.589 0.219 7.610 1.00 0.00 H new ATOM 0 HA ALA A 99 8.293 0.831 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.539 -1.619 5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.469 -1.143 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.041 -1.860 6.244 1.00 0.00 H new ATOM 1271 N LEU A 100 5.418 -0.221 4.402 1.00 0.00 N ATOM 1272 CA LEU A 100 4.611 -0.310 3.207 1.00 0.00 C ATOM 1273 C LEU A 100 4.402 1.065 2.600 1.00 0.00 C ATOM 1274 O LEU A 100 4.542 1.256 1.392 1.00 0.00 O ATOM 1275 CB LEU A 100 3.261 -0.942 3.549 1.00 0.00 C ATOM 1276 CG LEU A 100 2.158 -0.684 2.531 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.158 -1.828 2.524 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.463 0.642 2.814 1.00 0.00 C ATOM 0 H LEU A 100 4.918 -0.441 5.264 1.00 0.00 H new ATOM 0 HA LEU A 100 5.129 -0.932 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.396 -2.019 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.936 -0.567 4.519 1.00 0.00 H new ATOM 0 HG LEU A 100 2.612 -0.623 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.378 -1.625 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.668 -2.756 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.710 -1.925 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.679 0.807 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.023 0.617 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.190 1.453 2.759 1.00 0.00 H new ATOM 1290 N ALA A 101 4.052 2.015 3.450 1.00 0.00 N ATOM 1291 CA ALA A 101 3.804 3.376 3.004 1.00 0.00 C ATOM 1292 C ALA A 101 5.066 4.004 2.438 1.00 0.00 C ATOM 1293 O ALA A 101 4.993 4.780 1.487 1.00 0.00 O ATOM 1294 CB ALA A 101 3.219 4.217 4.121 1.00 0.00 C ATOM 0 H ALA A 101 3.933 1.870 4.453 1.00 0.00 H new ATOM 0 HA ALA A 101 3.068 3.338 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.043 5.230 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.276 3.780 4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.916 4.246 4.958 1.00 0.00 H new ATOM 1300 N GLU A 102 6.233 3.645 2.981 1.00 0.00 N ATOM 1301 CA GLU A 102 7.471 4.182 2.435 1.00 0.00 C ATOM 1302 C GLU A 102 7.644 3.606 1.048 1.00 0.00 C ATOM 1303 O GLU A 102 7.907 4.327 0.106 1.00 0.00 O ATOM 1304 CB GLU A 102 8.716 3.891 3.290 1.00 0.00 C ATOM 1305 CG GLU A 102 8.431 3.334 4.685 1.00 0.00 C ATOM 1306 CD GLU A 102 9.697 2.954 5.427 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.252 1.873 5.139 1.00 0.00 O ATOM 1308 OE2 GLU A 102 10.132 3.736 6.298 1.00 0.00 O ATOM 0 H GLU A 102 6.341 3.008 3.770 1.00 0.00 H new ATOM 0 HA GLU A 102 7.386 5.269 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.347 3.182 2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.289 4.812 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.883 4.077 5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.787 2.459 4.599 1.00 0.00 H new ATOM 1315 N GLY A 103 7.428 2.299 0.919 1.00 0.00 N ATOM 1316 CA GLY A 103 7.510 1.663 -0.382 1.00 0.00 C ATOM 1317 C GLY A 103 6.722 2.442 -1.406 1.00 0.00 C ATOM 1318 O GLY A 103 7.232 2.861 -2.444 1.00 0.00 O ATOM 0 H GLY A 103 7.199 1.672 1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.552 1.594 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.127 0.644 -0.319 1.00 0.00 H new ATOM 1322 N ALA A 104 5.444 2.606 -1.079 1.00 0.00 N ATOM 1323 CA ALA A 104 4.497 3.309 -1.922 1.00 0.00 C ATOM 1324 C ALA A 104 4.887 4.772 -2.103 1.00 0.00 C ATOM 1325 O ALA A 104 4.680 5.351 -3.164 1.00 0.00 O ATOM 1326 CB ALA A 104 3.103 3.195 -1.332 1.00 0.00 C ATOM 0 H ALA A 104 5.038 2.250 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 104 4.508 2.846 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.394 3.725 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.819 2.144 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.093 3.634 -0.334 1.00 0.00 H new ATOM 1332 N ARG A 105 5.466 5.371 -1.068 1.00 0.00 N ATOM 1333 CA ARG A 105 5.888 6.767 -1.145 1.00 0.00 C ATOM 1334 C ARG A 105 7.324 6.872 -1.648 1.00 0.00 C ATOM 1335 O ARG A 105 7.715 7.872 -2.249 1.00 0.00 O ATOM 1336 CB ARG A 105 5.738 7.454 0.216 1.00 0.00 C ATOM 1337 CG ARG A 105 6.274 8.878 0.254 1.00 0.00 C ATOM 1338 CD ARG A 105 5.158 9.890 0.469 1.00 0.00 C ATOM 1339 NE ARG A 105 5.083 10.338 1.858 1.00 0.00 N ATOM 1340 CZ ARG A 105 5.818 11.327 2.361 1.00 0.00 C ATOM 1341 NH1 ARG A 105 6.695 11.969 1.598 1.00 0.00 N ATOM 1342 NH2 ARG A 105 5.678 11.675 3.633 1.00 0.00 N ATOM 0 H ARG A 105 5.653 4.918 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 105 5.241 7.278 -1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.683 7.466 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.257 6.861 0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.009 8.970 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.791 9.098 -0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.319 10.750 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.206 9.446 0.180 1.00 0.00 H new ATOM 0 HE ARG A 105 4.428 9.864 2.480 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.809 11.705 0.619 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.255 12.726 1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.007 11.185 4.225 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.241 12.433 4.019 1.00 0.00 H new ATOM 1356 N GLU A 106 8.097 5.822 -1.412 1.00 0.00 N ATOM 1357 CA GLU A 106 9.479 5.768 -1.847 1.00 0.00 C ATOM 1358 C GLU A 106 9.504 5.446 -3.340 1.00 0.00 C ATOM 1359 O GLU A 106 10.386 5.890 -4.076 1.00 0.00 O ATOM 1360 CB GLU A 106 10.244 4.697 -1.041 1.00 0.00 C ATOM 1361 CG GLU A 106 10.255 3.319 -1.686 1.00 0.00 C ATOM 1362 CD GLU A 106 11.192 2.355 -0.988 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.840 2.764 -0.002 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.280 1.190 -1.430 1.00 0.00 O ATOM 0 H GLU A 106 7.783 4.988 -0.915 1.00 0.00 H new ATOM 0 HA GLU A 106 9.967 6.727 -1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.273 5.029 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.798 4.618 -0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.245 2.909 -1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.550 3.414 -2.731 1.00 0.00 H new ATOM 1371 N GLY A 107 8.508 4.666 -3.773 1.00 0.00 N ATOM 1372 CA GLY A 107 8.400 4.286 -5.167 1.00 0.00 C ATOM 1373 C GLY A 107 7.890 5.430 -6.037 1.00 0.00 C ATOM 1374 O GLY A 107 8.449 5.689 -7.103 1.00 0.00 O ATOM 0 H GLY A 107 7.773 4.292 -3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.375 3.962 -5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.727 3.434 -5.259 1.00 0.00 H new ATOM 1378 N GLY A 108 6.839 6.131 -5.586 1.00 0.00 N ATOM 1379 CA GLY A 108 6.319 7.248 -6.368 1.00 0.00 C ATOM 1380 C GLY A 108 5.114 7.958 -5.752 1.00 0.00 C ATOM 1381 O GLY A 108 4.934 9.159 -5.958 1.00 0.00 O ATOM 0 H GLY A 108 6.349 5.948 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.118 7.976 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.041 6.882 -7.356 1.00 0.00 H new ATOM 1385 N LEU A 109 4.269 7.222 -5.036 1.00 0.00 N ATOM 1386 CA LEU A 109 3.062 7.790 -4.441 1.00 0.00 C ATOM 1387 C LEU A 109 3.341 8.715 -3.267 1.00 0.00 C ATOM 1388 O LEU A 109 4.263 8.505 -2.488 1.00 0.00 O ATOM 1389 CB LEU A 109 2.143 6.665 -3.983 1.00 0.00 C ATOM 1390 CG LEU A 109 1.429 5.954 -5.115 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.436 5.358 -6.073 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.486 4.890 -4.576 1.00 0.00 C ATOM 0 H LEU A 109 4.398 6.227 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 109 2.589 8.394 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.729 5.937 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.400 7.073 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 109 0.827 6.681 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.912 4.850 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.059 6.151 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.064 4.643 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.015 4.393 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.054 4.156 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.258 5.357 -3.930 1.00 0.00 H new ATOM 1404 N GLU A 110 2.505 9.734 -3.144 1.00 0.00 N ATOM 1405 CA GLU A 110 2.615 10.697 -2.056 1.00 0.00 C ATOM 1406 C GLU A 110 1.274 10.854 -1.344 1.00 0.00 C ATOM 1407 O GLU A 110 0.429 11.647 -1.755 1.00 0.00 O ATOM 1408 CB GLU A 110 3.114 12.043 -2.576 1.00 0.00 C ATOM 1409 CG GLU A 110 4.629 12.164 -2.551 1.00 0.00 C ATOM 1410 CD GLU A 110 5.234 12.225 -3.940 1.00 0.00 C ATOM 1411 OE1 GLU A 110 4.709 11.547 -4.847 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.234 12.952 -4.120 1.00 0.00 O ATOM 0 H GLU A 110 1.736 9.917 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 110 3.342 10.322 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.760 12.186 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.681 12.842 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.909 13.060 -1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.049 11.314 -2.013 1.00 0.00 H new ATOM 1419 N PHE A 111 1.081 10.081 -0.283 1.00 0.00 N ATOM 1420 CA PHE A 111 -0.163 10.118 0.482 1.00 0.00 C ATOM 1421 C PHE A 111 0.095 10.543 1.924 1.00 0.00 C ATOM 1422 O PHE A 111 1.012 9.974 2.552 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.833 8.741 0.451 1.00 0.00 C ATOM 1424 CG PHE A 111 0.152 7.611 0.473 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.851 7.273 -0.671 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.392 6.902 1.637 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.772 6.246 -0.657 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.314 5.875 1.660 1.00 0.00 C ATOM 1429 CZ PHE A 111 2.005 5.547 0.510 1.00 0.00 C ATOM 1430 OXT PHE A 111 -0.622 11.441 2.413 1.00 0.00 O ATOM 0 H PHE A 111 1.771 9.418 0.070 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.826 10.852 0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.502 8.649 1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.448 8.662 -0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.674 7.819 -1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.148 7.155 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.310 5.989 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.495 5.330 2.575 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.727 4.744 0.524 1.00 0.00 H new TER 1440 PHE A 111