USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 862 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 2 LYS NZ :NH3+ 161:sc= 0.748 (180deg=0.521) USER MOD Set 1.2: A 26 TYR OH : rot 180:sc= -0.0115 USER MOD Single : A 14 THR OG1 : rot -25:sc= -3.91 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.68) USER MOD Single : A 30 THR OG1 : rot 27:sc= 0.481 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.83 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.641 X(o=-0.64,f=-0.26) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.65! X(o=-1.6!,f=-1.2) USER MOD Single : A 71 SER OG : rot 49:sc= 0.0996 USER MOD Single : A 74 SER OG : rot 134:sc= 0.413 USER MOD Single : A 80 THR OG1 : rot -80:sc= -2.09 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -0.15 (180deg=-0.308) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -130:sc= -3.47! USER MOD Single : A 114 LYS NZ :NH3+ -144:sc= -0.554 (180deg=-1.12) USER MOD Single : A 115 HIS : no HD1:sc= -0.0606 X(o=-0.061,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -0.795 1.055 14.724 1.00 0.00 N ATOM 21 CA LYS A 2 -0.073 0.418 13.630 1.00 0.00 C ATOM 22 C LYS A 2 -1.037 -0.228 12.641 1.00 0.00 C ATOM 23 O LYS A 2 -1.437 -1.380 12.812 1.00 0.00 O ATOM 24 CB LYS A 2 0.896 -0.632 14.173 1.00 0.00 C ATOM 25 CG LYS A 2 1.977 -0.056 15.074 1.00 0.00 C ATOM 26 CD LYS A 2 3.231 0.294 14.287 1.00 0.00 C ATOM 27 CE LYS A 2 4.347 -0.708 14.542 1.00 0.00 C ATOM 28 NZ LYS A 2 3.856 -2.113 14.503 1.00 0.00 N ATOM 0 HA LYS A 2 0.492 1.189 13.106 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.332 -1.381 14.729 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.368 -1.146 13.336 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.599 0.836 15.573 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.225 -0.777 15.853 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.999 0.318 13.222 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.568 1.293 14.563 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.130 -0.577 13.795 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.798 -0.509 15.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.659 -2.758 14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.386 -2.342 15.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.179 -2.223 13.721 1.00 0.00 H new ATOM 42 N ARG A 3 -1.406 0.520 11.607 1.00 0.00 N ATOM 43 CA ARG A 3 -2.322 0.019 10.590 1.00 0.00 C ATOM 44 C ARG A 3 -1.839 0.382 9.191 1.00 0.00 C ATOM 45 O ARG A 3 -1.298 1.464 8.972 1.00 0.00 O ATOM 46 CB ARG A 3 -3.724 0.568 10.825 1.00 0.00 C ATOM 47 CG ARG A 3 -3.780 2.077 10.837 1.00 0.00 C ATOM 48 CD ARG A 3 -3.632 2.631 12.246 1.00 0.00 C ATOM 49 NE ARG A 3 -4.637 3.649 12.544 1.00 0.00 N ATOM 50 CZ ARG A 3 -4.453 4.956 12.360 1.00 0.00 C ATOM 51 NH1 ARG A 3 -3.305 5.415 11.876 1.00 0.00 N ATOM 52 NH2 ARG A 3 -5.423 5.809 12.661 1.00 0.00 N ATOM 0 H ARG A 3 -1.085 1.475 11.451 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.351 -1.068 10.666 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.389 0.193 10.047 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.100 0.190 11.775 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.988 2.476 10.203 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.727 2.410 10.412 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.716 1.817 12.966 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.637 3.059 12.364 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.535 3.340 12.916 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.554 4.765 11.641 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.174 6.417 11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.308 5.464 13.033 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.284 6.810 12.521 1.00 0.00 H new ATOM 66 N VAL A 4 -2.025 -0.536 8.247 1.00 0.00 N ATOM 67 CA VAL A 4 -1.594 -0.316 6.871 1.00 0.00 C ATOM 68 C VAL A 4 -2.745 -0.525 5.888 1.00 0.00 C ATOM 69 O VAL A 4 -3.767 -1.117 6.229 1.00 0.00 O ATOM 70 CB VAL A 4 -0.436 -1.267 6.503 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.175 -0.891 5.162 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.626 -1.263 7.592 1.00 0.00 C ATOM 0 H VAL A 4 -2.471 -1.439 8.410 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.253 0.717 6.801 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.843 -2.275 6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.989 -1.578 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.587 -0.952 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.562 0.127 5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.434 -1.940 7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.022 -0.254 7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.184 -1.592 8.532 1.00 0.00 H new ATOM 82 N LEU A 5 -2.565 -0.038 4.664 1.00 0.00 N ATOM 83 CA LEU A 5 -3.578 -0.175 3.625 1.00 0.00 C ATOM 84 C LEU A 5 -3.014 -0.947 2.439 1.00 0.00 C ATOM 85 O LEU A 5 -1.932 -0.633 1.942 1.00 0.00 O ATOM 86 CB LEU A 5 -4.070 1.197 3.166 1.00 0.00 C ATOM 87 CG LEU A 5 -5.268 1.162 2.216 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.453 0.492 2.890 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.630 2.566 1.754 1.00 0.00 C ATOM 0 H LEU A 5 -1.724 0.457 4.368 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.422 -0.726 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.337 1.784 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.248 1.716 2.673 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.997 0.579 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.299 0.473 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.186 -0.528 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.725 1.050 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.485 2.518 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.884 3.179 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.781 3.008 1.233 1.00 0.00 H new ATOM 101 N VAL A 6 -3.744 -1.962 1.995 1.00 0.00 N ATOM 102 CA VAL A 6 -3.296 -2.781 0.872 1.00 0.00 C ATOM 103 C VAL A 6 -4.220 -2.650 -0.333 1.00 0.00 C ATOM 104 O VAL A 6 -5.250 -3.319 -0.412 1.00 0.00 O ATOM 105 CB VAL A 6 -3.204 -4.266 1.267 1.00 0.00 C ATOM 106 CG1 VAL A 6 -2.588 -5.083 0.140 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.411 -4.428 2.555 1.00 0.00 C ATOM 0 H VAL A 6 -4.643 -2.238 2.391 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.307 -2.413 0.600 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.213 -4.640 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.531 -6.130 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.205 -4.993 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.585 -4.712 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.357 -5.484 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.403 -4.037 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.904 -3.879 3.357 1.00 0.00 H new ATOM 117 N VAL A 7 -3.845 -1.796 -1.277 1.00 0.00 N ATOM 118 CA VAL A 7 -4.649 -1.602 -2.476 1.00 0.00 C ATOM 119 C VAL A 7 -4.344 -2.673 -3.517 1.00 0.00 C ATOM 120 O VAL A 7 -3.210 -2.801 -3.975 1.00 0.00 O ATOM 121 CB VAL A 7 -4.412 -0.209 -3.094 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.342 0.023 -4.276 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.590 0.878 -2.045 1.00 0.00 C ATOM 0 H VAL A 7 -2.997 -1.231 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.694 -1.680 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.386 -0.167 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.157 1.012 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.158 -0.735 -5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.378 -0.041 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.419 1.854 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.604 0.836 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.875 0.724 -1.237 1.00 0.00 H new ATOM 133 N ASP A 8 -5.362 -3.441 -3.884 1.00 0.00 N ATOM 134 CA ASP A 8 -5.202 -4.502 -4.870 1.00 0.00 C ATOM 135 C ASP A 8 -6.529 -4.791 -5.566 1.00 0.00 C ATOM 136 O ASP A 8 -7.564 -4.946 -4.916 1.00 0.00 O ATOM 137 CB ASP A 8 -4.660 -5.769 -4.197 1.00 0.00 C ATOM 138 CG ASP A 8 -4.672 -6.975 -5.119 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.794 -6.783 -6.347 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.561 -8.111 -4.611 1.00 0.00 O ATOM 0 H ASP A 8 -6.308 -3.349 -3.513 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.486 -4.173 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.640 -5.587 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.256 -5.988 -3.311 1.00 0.00 H new ATOM 145 N ASP A 9 -6.494 -4.853 -6.895 1.00 0.00 N ATOM 146 CA ASP A 9 -7.695 -5.114 -7.682 1.00 0.00 C ATOM 147 C ASP A 9 -7.896 -6.611 -7.907 1.00 0.00 C ATOM 148 O ASP A 9 -8.169 -7.048 -9.025 1.00 0.00 O ATOM 149 CB ASP A 9 -7.611 -4.389 -9.027 1.00 0.00 C ATOM 150 CG ASP A 9 -8.905 -4.476 -9.812 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.905 -3.866 -9.379 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.918 -5.153 -10.862 1.00 0.00 O ATOM 0 H ASP A 9 -5.647 -4.726 -7.449 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.552 -4.738 -7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.362 -3.342 -8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.801 -4.817 -9.618 1.00 0.00 H new ATOM 157 N GLU A 10 -7.763 -7.392 -6.840 1.00 0.00 N ATOM 158 CA GLU A 10 -7.933 -8.838 -6.926 1.00 0.00 C ATOM 159 C GLU A 10 -9.139 -9.296 -6.111 1.00 0.00 C ATOM 160 O GLU A 10 -10.000 -10.022 -6.609 1.00 0.00 O ATOM 161 CB GLU A 10 -6.669 -9.551 -6.437 1.00 0.00 C ATOM 162 CG GLU A 10 -6.167 -10.621 -7.392 1.00 0.00 C ATOM 163 CD GLU A 10 -6.313 -12.022 -6.830 1.00 0.00 C ATOM 164 OE1 GLU A 10 -7.404 -12.610 -6.980 1.00 0.00 O ATOM 165 OE2 GLU A 10 -5.337 -12.529 -6.238 1.00 0.00 O ATOM 0 H GLU A 10 -7.538 -7.048 -5.906 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.107 -9.096 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.881 -8.813 -6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.871 -10.007 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.717 -10.551 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.118 -10.434 -7.622 1.00 0.00 H new ATOM 217 N THR A 14 -5.610 -9.319 0.497 1.00 0.00 N ATOM 218 CA THR A 14 -4.514 -9.891 -0.272 1.00 0.00 C ATOM 219 C THR A 14 -4.103 -11.230 0.332 1.00 0.00 C ATOM 220 O THR A 14 -4.175 -11.417 1.547 1.00 0.00 O ATOM 221 CB THR A 14 -3.329 -8.925 -0.312 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.883 -8.619 0.997 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.651 -7.615 -1.003 1.00 0.00 C ATOM 0 HA THR A 14 -4.847 -10.058 -1.296 1.00 0.00 H new ATOM 0 HB THR A 14 -2.556 -9.441 -0.881 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.622 -8.737 1.630 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.769 -6.974 -0.998 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.951 -7.811 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.465 -7.116 -0.476 1.00 0.00 H new ATOM 231 N SER A 15 -3.696 -12.167 -0.517 1.00 0.00 N ATOM 232 CA SER A 15 -3.303 -13.495 -0.057 1.00 0.00 C ATOM 233 C SER A 15 -2.050 -13.458 0.813 1.00 0.00 C ATOM 234 O SER A 15 -1.113 -12.706 0.548 1.00 0.00 O ATOM 235 CB SER A 15 -3.071 -14.418 -1.255 1.00 0.00 C ATOM 236 OG SER A 15 -4.254 -15.120 -1.595 1.00 0.00 O ATOM 0 H SER A 15 -3.629 -12.033 -1.526 1.00 0.00 H new ATOM 0 HA SER A 15 -4.119 -13.879 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.734 -13.832 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.277 -15.128 -1.023 1.00 0.00 H new ATOM 0 HG SER A 15 -4.080 -15.701 -2.364 1.00 0.00 H new ATOM 242 N SER A 16 -2.044 -14.300 1.846 1.00 0.00 N ATOM 243 CA SER A 16 -0.914 -14.409 2.766 1.00 0.00 C ATOM 244 C SER A 16 -0.683 -13.130 3.572 1.00 0.00 C ATOM 245 O SER A 16 0.325 -13.010 4.265 1.00 0.00 O ATOM 246 CB SER A 16 0.355 -14.775 2.000 1.00 0.00 C ATOM 247 OG SER A 16 0.334 -16.133 1.596 1.00 0.00 O ATOM 0 H SER A 16 -2.820 -14.924 2.068 1.00 0.00 H new ATOM 0 HA SER A 16 -1.160 -15.198 3.477 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.452 -14.133 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.227 -14.593 2.627 1.00 0.00 H new ATOM 0 HG SER A 16 1.157 -16.341 1.106 1.00 0.00 H new ATOM 253 N LEU A 17 -1.610 -12.181 3.495 1.00 0.00 N ATOM 254 CA LEU A 17 -1.471 -10.934 4.243 1.00 0.00 C ATOM 255 C LEU A 17 -2.122 -11.060 5.616 1.00 0.00 C ATOM 256 O LEU A 17 -1.498 -10.785 6.640 1.00 0.00 O ATOM 257 CB LEU A 17 -2.107 -9.770 3.467 1.00 0.00 C ATOM 258 CG LEU A 17 -1.229 -8.521 3.246 1.00 0.00 C ATOM 259 CD1 LEU A 17 -2.052 -7.258 3.442 1.00 0.00 C ATOM 260 CD2 LEU A 17 -0.012 -8.503 4.168 1.00 0.00 C ATOM 0 H LEU A 17 -2.456 -12.248 2.930 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.408 -10.731 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.420 -10.142 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.009 -9.462 3.995 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.862 -8.560 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.420 -6.384 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.875 -7.246 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.451 -7.238 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.576 -7.606 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.342 -8.506 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.600 -9.385 3.980 1.00 0.00 H new ATOM 272 N SER A 18 -3.387 -11.475 5.625 1.00 0.00 N ATOM 273 CA SER A 18 -4.141 -11.639 6.867 1.00 0.00 C ATOM 274 C SER A 18 -3.317 -12.375 7.921 1.00 0.00 C ATOM 275 O SER A 18 -3.055 -11.844 9.000 1.00 0.00 O ATOM 276 CB SER A 18 -5.442 -12.398 6.601 1.00 0.00 C ATOM 277 OG SER A 18 -6.386 -12.174 7.635 1.00 0.00 O ATOM 0 H SER A 18 -3.914 -11.705 4.782 1.00 0.00 H new ATOM 0 HA SER A 18 -4.376 -10.646 7.249 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.862 -12.082 5.646 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.234 -13.465 6.520 1.00 0.00 H new ATOM 0 HG SER A 18 -7.209 -12.669 7.440 1.00 0.00 H new ATOM 283 N ALA A 19 -2.906 -13.599 7.599 1.00 0.00 N ATOM 284 CA ALA A 19 -2.106 -14.402 8.517 1.00 0.00 C ATOM 285 C ALA A 19 -0.909 -13.610 9.028 1.00 0.00 C ATOM 286 O ALA A 19 -0.546 -13.693 10.202 1.00 0.00 O ATOM 287 CB ALA A 19 -1.643 -15.677 7.830 1.00 0.00 C ATOM 0 H ALA A 19 -3.114 -14.055 6.711 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.727 -14.668 9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.047 -16.269 8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.511 -16.255 7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.039 -15.422 6.959 1.00 0.00 H new ATOM 293 N ILE A 20 -0.306 -12.838 8.133 1.00 0.00 N ATOM 294 CA ILE A 20 0.848 -12.019 8.477 1.00 0.00 C ATOM 295 C ILE A 20 0.449 -10.890 9.422 1.00 0.00 C ATOM 296 O ILE A 20 0.807 -10.897 10.598 1.00 0.00 O ATOM 297 CB ILE A 20 1.505 -11.429 7.209 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.157 -12.540 6.389 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.530 -10.363 7.568 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.735 -12.058 5.079 1.00 0.00 C ATOM 0 H ILE A 20 -0.599 -12.762 7.159 1.00 0.00 H new ATOM 0 HA ILE A 20 1.571 -12.662 8.980 1.00 0.00 H new ATOM 0 HB ILE A 20 0.726 -10.957 6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.949 -13.000 6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.417 -13.315 6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.976 -9.966 6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.040 -9.557 8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.309 -10.802 8.191 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.182 -12.898 4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.943 -11.624 4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.498 -11.304 5.273 1.00 0.00 H new ATOM 312 N LEU A 21 -0.297 -9.922 8.899 1.00 0.00 N ATOM 313 CA LEU A 21 -0.750 -8.787 9.698 1.00 0.00 C ATOM 314 C LEU A 21 -1.344 -9.253 11.025 1.00 0.00 C ATOM 315 O LEU A 21 -1.273 -8.549 12.031 1.00 0.00 O ATOM 316 CB LEU A 21 -1.786 -7.989 8.917 1.00 0.00 C ATOM 317 CG LEU A 21 -1.348 -7.603 7.506 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.432 -7.938 6.493 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.986 -6.127 7.454 1.00 0.00 C ATOM 0 H LEU A 21 -0.601 -9.900 7.926 1.00 0.00 H new ATOM 0 HA LEU A 21 0.110 -8.154 9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.704 -8.573 8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.023 -7.082 9.472 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.462 -8.182 7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.098 -7.654 5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.634 -9.009 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.342 -7.391 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.675 -5.864 6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.854 -5.530 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.169 -5.928 8.148 1.00 0.00 H new ATOM 331 N GLU A 22 -1.928 -10.448 11.015 1.00 0.00 N ATOM 332 CA GLU A 22 -2.533 -11.015 12.215 1.00 0.00 C ATOM 333 C GLU A 22 -1.461 -11.479 13.196 1.00 0.00 C ATOM 334 O GLU A 22 -1.670 -11.466 14.409 1.00 0.00 O ATOM 335 CB GLU A 22 -3.448 -12.181 11.850 1.00 0.00 C ATOM 336 CG GLU A 22 -4.764 -11.749 11.225 1.00 0.00 C ATOM 337 CD GLU A 22 -5.539 -12.911 10.637 1.00 0.00 C ATOM 338 OE1 GLU A 22 -4.899 -13.865 10.145 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.787 -12.869 10.667 1.00 0.00 O ATOM 0 H GLU A 22 -1.995 -11.042 10.189 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.127 -10.237 12.695 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.925 -12.839 11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.656 -12.764 12.747 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.375 -11.254 11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.567 -11.016 10.443 1.00 0.00 H new ATOM 346 N GLU A 23 -0.310 -11.881 12.664 1.00 0.00 N ATOM 347 CA GLU A 23 0.793 -12.338 13.493 1.00 0.00 C ATOM 348 C GLU A 23 1.564 -11.144 14.045 1.00 0.00 C ATOM 349 O GLU A 23 2.063 -11.177 15.169 1.00 0.00 O ATOM 350 CB GLU A 23 1.720 -13.245 12.676 1.00 0.00 C ATOM 351 CG GLU A 23 3.084 -13.462 13.307 1.00 0.00 C ATOM 352 CD GLU A 23 3.518 -14.913 13.278 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.853 -15.746 13.932 1.00 0.00 O ATOM 354 OE2 GLU A 23 4.522 -15.220 12.601 1.00 0.00 O ATOM 0 H GLU A 23 -0.120 -11.898 11.662 1.00 0.00 H new ATOM 0 HA GLU A 23 0.395 -12.910 14.331 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.237 -14.212 12.538 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.854 -12.812 11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.823 -12.856 12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.061 -13.115 14.340 1.00 0.00 H new ATOM 361 N GLU A 24 1.653 -10.090 13.240 1.00 0.00 N ATOM 362 CA GLU A 24 2.357 -8.880 13.640 1.00 0.00 C ATOM 363 C GLU A 24 1.474 -8.000 14.518 1.00 0.00 C ATOM 364 O GLU A 24 1.956 -7.337 15.436 1.00 0.00 O ATOM 365 CB GLU A 24 2.808 -8.099 12.408 1.00 0.00 C ATOM 366 CG GLU A 24 4.000 -8.718 11.697 1.00 0.00 C ATOM 367 CD GLU A 24 5.312 -8.431 12.400 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.525 -8.972 13.505 1.00 0.00 O ATOM 369 OE2 GLU A 24 6.128 -7.665 11.845 1.00 0.00 O ATOM 0 H GLU A 24 1.245 -10.051 12.306 1.00 0.00 H new ATOM 0 HA GLU A 24 3.233 -9.174 14.218 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.975 -8.028 11.708 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.062 -7.082 12.706 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.857 -9.796 11.628 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.048 -8.337 10.677 1.00 0.00 H new ATOM 376 N GLY A 25 0.177 -7.996 14.225 1.00 0.00 N ATOM 377 CA GLY A 25 -0.754 -7.194 14.992 1.00 0.00 C ATOM 378 C GLY A 25 -1.002 -5.841 14.358 1.00 0.00 C ATOM 379 O GLY A 25 -0.952 -4.812 15.031 1.00 0.00 O ATOM 0 H GLY A 25 -0.244 -8.535 13.469 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.700 -7.728 15.086 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.365 -7.055 16.001 1.00 0.00 H new ATOM 383 N TYR A 26 -1.267 -5.843 13.056 1.00 0.00 N ATOM 384 CA TYR A 26 -1.520 -4.608 12.326 1.00 0.00 C ATOM 385 C TYR A 26 -3.003 -4.451 12.009 1.00 0.00 C ATOM 386 O TYR A 26 -3.834 -5.238 12.461 1.00 0.00 O ATOM 387 CB TYR A 26 -0.706 -4.585 11.031 1.00 0.00 C ATOM 388 CG TYR A 26 0.746 -4.221 11.235 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.129 -2.899 11.415 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.733 -5.199 11.249 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.455 -2.559 11.602 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.061 -4.867 11.437 1.00 0.00 C ATOM 393 CZ TYR A 26 3.417 -3.547 11.612 1.00 0.00 C ATOM 394 OH TYR A 26 4.739 -3.214 11.799 1.00 0.00 O ATOM 0 H TYR A 26 -1.312 -6.687 12.485 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.215 -3.774 12.958 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.763 -5.566 10.559 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.157 -3.872 10.341 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.378 -2.123 11.409 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.458 -6.234 11.111 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.736 -1.525 11.740 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.817 -5.638 11.447 1.00 0.00 H new ATOM 0 HH TYR A 26 5.287 -4.026 11.780 1.00 0.00 H new ATOM 404 N HIS A 27 -3.323 -3.428 11.225 1.00 0.00 N ATOM 405 CA HIS A 27 -4.700 -3.157 10.838 1.00 0.00 C ATOM 406 C HIS A 27 -4.794 -2.905 9.335 1.00 0.00 C ATOM 407 O HIS A 27 -4.755 -1.760 8.884 1.00 0.00 O ATOM 408 CB HIS A 27 -5.241 -1.949 11.606 1.00 0.00 C ATOM 409 CG HIS A 27 -6.475 -2.246 12.399 1.00 0.00 C ATOM 410 ND1 HIS A 27 -6.741 -3.488 12.939 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.519 -1.456 12.745 1.00 0.00 C ATOM 412 CE1 HIS A 27 -7.896 -3.448 13.580 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.387 -2.226 13.478 1.00 0.00 N ATOM 0 H HIS A 27 -2.643 -2.770 10.844 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.304 -4.031 11.084 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.467 -1.581 12.279 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.457 -1.147 10.900 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.645 -0.414 12.491 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.360 -4.274 14.099 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.269 -1.906 13.879 1.00 0.00 H new ATOM 422 N PRO A 28 -4.920 -3.977 8.539 1.00 0.00 N ATOM 423 CA PRO A 28 -5.019 -3.873 7.086 1.00 0.00 C ATOM 424 C PRO A 28 -6.439 -3.559 6.633 1.00 0.00 C ATOM 425 O PRO A 28 -7.388 -4.241 7.023 1.00 0.00 O ATOM 426 CB PRO A 28 -4.596 -5.261 6.621 1.00 0.00 C ATOM 427 CG PRO A 28 -5.034 -6.176 7.714 1.00 0.00 C ATOM 428 CD PRO A 28 -4.976 -5.379 8.996 1.00 0.00 C ATOM 0 HA PRO A 28 -4.409 -3.067 6.678 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.067 -5.522 5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.518 -5.316 6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.044 -6.542 7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.384 -7.049 7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.851 -5.561 9.620 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.101 -5.641 9.590 1.00 0.00 H new ATOM 436 N ASP A 29 -6.585 -2.520 5.816 1.00 0.00 N ATOM 437 CA ASP A 29 -7.908 -2.129 5.333 1.00 0.00 C ATOM 438 C ASP A 29 -8.126 -2.509 3.879 1.00 0.00 C ATOM 439 O ASP A 29 -9.197 -2.278 3.323 1.00 0.00 O ATOM 440 CB ASP A 29 -8.141 -0.637 5.538 1.00 0.00 C ATOM 441 CG ASP A 29 -9.455 -0.350 6.239 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.495 -0.874 5.789 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.443 0.398 7.240 1.00 0.00 O ATOM 0 H ASP A 29 -5.817 -1.940 5.478 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.638 -2.682 5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.321 -0.221 6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.130 -0.134 4.571 1.00 0.00 H new ATOM 448 N THR A 30 -7.100 -3.099 3.293 1.00 0.00 N ATOM 449 CA THR A 30 -7.099 -3.555 1.896 1.00 0.00 C ATOM 450 C THR A 30 -8.090 -2.813 0.999 1.00 0.00 C ATOM 451 O THR A 30 -9.297 -2.821 1.234 1.00 0.00 O ATOM 452 CB THR A 30 -7.380 -5.052 1.827 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.667 -5.344 2.343 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.375 -5.888 2.588 1.00 0.00 C ATOM 0 H THR A 30 -6.221 -3.283 3.777 1.00 0.00 H new ATOM 0 HA THR A 30 -6.102 -3.332 1.515 1.00 0.00 H new ATOM 0 HB THR A 30 -7.311 -5.310 0.770 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.246 -4.560 2.240 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.635 -6.943 2.497 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.379 -5.723 2.177 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.385 -5.602 3.640 1.00 0.00 H new ATOM 462 N ALA A 31 -7.565 -2.205 -0.056 1.00 0.00 N ATOM 463 CA ALA A 31 -8.388 -1.481 -1.016 1.00 0.00 C ATOM 464 C ALA A 31 -8.523 -2.275 -2.312 1.00 0.00 C ATOM 465 O ALA A 31 -7.809 -3.254 -2.526 1.00 0.00 O ATOM 466 CB ALA A 31 -7.796 -0.107 -1.294 1.00 0.00 C ATOM 0 H ALA A 31 -6.568 -2.199 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.382 -1.350 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.423 0.421 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.749 0.463 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.792 -0.219 -1.702 1.00 0.00 H new ATOM 472 N LYS A 32 -9.445 -1.852 -3.170 1.00 0.00 N ATOM 473 CA LYS A 32 -9.675 -2.526 -4.436 1.00 0.00 C ATOM 474 C LYS A 32 -8.762 -1.963 -5.525 1.00 0.00 C ATOM 475 O LYS A 32 -8.142 -2.714 -6.278 1.00 0.00 O ATOM 476 CB LYS A 32 -11.143 -2.374 -4.832 1.00 0.00 C ATOM 477 CG LYS A 32 -11.441 -2.843 -6.239 1.00 0.00 C ATOM 478 CD LYS A 32 -12.934 -2.850 -6.524 1.00 0.00 C ATOM 479 CE LYS A 32 -13.218 -3.094 -7.997 1.00 0.00 C ATOM 480 NZ LYS A 32 -14.645 -3.448 -8.237 1.00 0.00 N ATOM 0 H LYS A 32 -10.045 -1.043 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.442 -3.585 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.760 -2.937 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.430 -1.327 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.937 -2.193 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.038 -3.846 -6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.416 -3.624 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.368 -1.897 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.965 -2.201 -8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.578 -3.898 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.797 -3.606 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.881 -4.315 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.255 -2.670 -7.913 1.00 0.00 H new ATOM 494 N THR A 33 -8.681 -0.641 -5.598 1.00 0.00 N ATOM 495 CA THR A 33 -7.840 0.023 -6.588 1.00 0.00 C ATOM 496 C THR A 33 -7.512 1.440 -6.139 1.00 0.00 C ATOM 497 O THR A 33 -7.738 1.799 -4.984 1.00 0.00 O ATOM 498 CB THR A 33 -8.536 0.051 -7.951 1.00 0.00 C ATOM 499 OG1 THR A 33 -9.528 -0.955 -8.031 1.00 0.00 O ATOM 500 CG2 THR A 33 -7.585 -0.153 -9.111 1.00 0.00 C ATOM 0 H THR A 33 -9.188 -0.005 -4.982 1.00 0.00 H new ATOM 0 HA THR A 33 -6.911 -0.540 -6.683 1.00 0.00 H new ATOM 0 HB THR A 33 -8.976 1.045 -8.029 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.961 -0.918 -8.909 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.142 -0.122 -10.048 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.834 0.637 -9.109 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.094 -1.121 -9.013 1.00 0.00 H new ATOM 508 N LEU A 34 -6.983 2.245 -7.052 1.00 0.00 N ATOM 509 CA LEU A 34 -6.635 3.622 -6.732 1.00 0.00 C ATOM 510 C LEU A 34 -7.889 4.441 -6.459 1.00 0.00 C ATOM 511 O LEU A 34 -7.962 5.172 -5.473 1.00 0.00 O ATOM 512 CB LEU A 34 -5.827 4.248 -7.871 1.00 0.00 C ATOM 513 CG LEU A 34 -4.575 3.468 -8.277 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.934 4.089 -9.509 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.582 3.415 -7.125 1.00 0.00 C ATOM 0 H LEU A 34 -6.787 1.970 -8.014 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.021 3.621 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.473 4.349 -8.743 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.531 5.255 -7.576 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.870 2.448 -8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.045 3.520 -9.782 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.644 4.072 -10.336 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.653 5.120 -9.293 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.698 2.856 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.292 4.428 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.043 2.922 -6.269 1.00 0.00 H new ATOM 527 N ARG A 35 -8.884 4.302 -7.329 1.00 0.00 N ATOM 528 CA ARG A 35 -10.139 5.021 -7.163 1.00 0.00 C ATOM 529 C ARG A 35 -10.823 4.579 -5.874 1.00 0.00 C ATOM 530 O ARG A 35 -11.293 5.404 -5.089 1.00 0.00 O ATOM 531 CB ARG A 35 -11.061 4.770 -8.359 1.00 0.00 C ATOM 532 CG ARG A 35 -10.630 5.499 -9.621 1.00 0.00 C ATOM 533 CD ARG A 35 -10.822 7.001 -9.491 1.00 0.00 C ATOM 534 NE ARG A 35 -10.618 7.691 -10.762 1.00 0.00 N ATOM 535 CZ ARG A 35 -11.528 7.743 -11.732 1.00 0.00 C ATOM 536 NH1 ARG A 35 -12.706 7.149 -11.580 1.00 0.00 N ATOM 537 NH2 ARG A 35 -11.261 8.393 -12.857 1.00 0.00 N ATOM 0 H ARG A 35 -8.845 3.701 -8.152 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.926 6.089 -7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.097 3.700 -8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.073 5.079 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.582 5.282 -9.828 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.205 5.130 -10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.827 7.207 -9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.125 7.393 -8.750 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.726 8.161 -10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.918 6.649 -10.716 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.399 7.192 -12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.359 8.853 -12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.958 8.433 -13.601 1.00 0.00 H new ATOM 551 N GLU A 36 -10.858 3.268 -5.658 1.00 0.00 N ATOM 552 CA GLU A 36 -11.467 2.707 -4.461 1.00 0.00 C ATOM 553 C GLU A 36 -10.622 3.027 -3.233 1.00 0.00 C ATOM 554 O GLU A 36 -11.149 3.207 -2.135 1.00 0.00 O ATOM 555 CB GLU A 36 -11.630 1.190 -4.605 1.00 0.00 C ATOM 556 CG GLU A 36 -12.910 0.655 -3.983 1.00 0.00 C ATOM 557 CD GLU A 36 -14.049 0.569 -4.980 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.276 1.557 -5.710 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.714 -0.487 -5.032 1.00 0.00 O ATOM 0 H GLU A 36 -10.471 2.575 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.452 3.156 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.614 0.930 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.776 0.695 -4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.721 -0.334 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.204 1.299 -3.155 1.00 0.00 H new ATOM 566 N ALA A 37 -9.307 3.107 -3.427 1.00 0.00 N ATOM 567 CA ALA A 37 -8.395 3.414 -2.333 1.00 0.00 C ATOM 568 C ALA A 37 -8.513 4.877 -1.929 1.00 0.00 C ATOM 569 O ALA A 37 -8.295 5.230 -0.770 1.00 0.00 O ATOM 570 CB ALA A 37 -6.963 3.085 -2.724 1.00 0.00 C ATOM 0 H ALA A 37 -8.853 2.964 -4.329 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.670 2.798 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.296 3.321 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.885 2.024 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.680 3.674 -3.596 1.00 0.00 H new ATOM 576 N GLU A 38 -8.879 5.723 -2.886 1.00 0.00 N ATOM 577 CA GLU A 38 -9.043 7.142 -2.617 1.00 0.00 C ATOM 578 C GLU A 38 -10.280 7.364 -1.762 1.00 0.00 C ATOM 579 O GLU A 38 -10.263 8.151 -0.816 1.00 0.00 O ATOM 580 CB GLU A 38 -9.156 7.927 -3.923 1.00 0.00 C ATOM 581 CG GLU A 38 -7.892 7.895 -4.765 1.00 0.00 C ATOM 582 CD GLU A 38 -8.181 7.794 -6.250 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.292 8.188 -6.665 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.299 7.321 -6.996 1.00 0.00 O ATOM 0 H GLU A 38 -9.067 5.450 -3.851 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.166 7.500 -2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.982 7.524 -4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.403 8.964 -3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.309 8.796 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.278 7.047 -4.460 1.00 0.00 H new ATOM 591 N LYS A 39 -11.351 6.649 -2.091 1.00 0.00 N ATOM 592 CA LYS A 39 -12.594 6.752 -1.341 1.00 0.00 C ATOM 593 C LYS A 39 -12.381 6.271 0.091 1.00 0.00 C ATOM 594 O LYS A 39 -12.967 6.806 1.031 1.00 0.00 O ATOM 595 CB LYS A 39 -13.694 5.930 -2.017 1.00 0.00 C ATOM 596 CG LYS A 39 -14.989 5.866 -1.223 1.00 0.00 C ATOM 597 CD LYS A 39 -14.947 4.758 -0.184 1.00 0.00 C ATOM 598 CE LYS A 39 -16.336 4.210 0.102 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.289 2.998 0.966 1.00 0.00 N ATOM 0 H LYS A 39 -11.382 5.993 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.905 7.796 -1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.901 6.356 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.328 4.916 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.163 6.823 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.826 5.700 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.302 3.953 -0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.508 5.139 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.936 4.979 0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.831 3.966 -0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.256 2.656 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.738 2.255 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.840 3.236 1.874 1.00 0.00 H new ATOM 613 N LYS A 40 -11.531 5.258 0.246 1.00 0.00 N ATOM 614 CA LYS A 40 -11.233 4.704 1.560 1.00 0.00 C ATOM 615 C LYS A 40 -10.300 5.625 2.340 1.00 0.00 C ATOM 616 O LYS A 40 -10.490 5.848 3.535 1.00 0.00 O ATOM 617 CB LYS A 40 -10.602 3.319 1.422 1.00 0.00 C ATOM 618 CG LYS A 40 -11.533 2.283 0.813 1.00 0.00 C ATOM 619 CD LYS A 40 -11.511 0.980 1.597 1.00 0.00 C ATOM 620 CE LYS A 40 -12.368 1.070 2.849 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.730 0.508 2.631 1.00 0.00 N ATOM 0 H LYS A 40 -11.038 4.806 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.170 4.615 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.706 3.397 0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.283 2.975 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.549 2.676 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.240 2.092 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.871 0.168 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.485 0.738 1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.880 0.533 3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.450 2.112 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.283 0.588 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.206 1.036 1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.653 -0.493 2.360 1.00 0.00 H new ATOM 635 N ILE A 41 -9.291 6.157 1.657 1.00 0.00 N ATOM 636 CA ILE A 41 -8.329 7.054 2.290 1.00 0.00 C ATOM 637 C ILE A 41 -8.939 8.433 2.526 1.00 0.00 C ATOM 638 O ILE A 41 -8.542 9.148 3.448 1.00 0.00 O ATOM 639 CB ILE A 41 -7.051 7.195 1.439 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.408 5.826 1.214 1.00 0.00 C ATOM 641 CG2 ILE A 41 -6.064 8.143 2.106 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.563 5.753 -0.040 1.00 0.00 C ATOM 0 H ILE A 41 -9.118 5.983 0.667 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.063 6.614 3.251 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.327 7.613 0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.787 5.579 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.192 5.070 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.169 8.229 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.523 9.125 2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.793 7.754 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.139 4.754 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.184 5.968 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.758 6.485 0.021 1.00 0.00 H new ATOM 654 N LYS A 42 -9.904 8.803 1.689 1.00 0.00 N ATOM 655 CA LYS A 42 -10.569 10.097 1.806 1.00 0.00 C ATOM 656 C LYS A 42 -11.087 10.327 3.224 1.00 0.00 C ATOM 657 O LYS A 42 -11.237 11.468 3.663 1.00 0.00 O ATOM 658 CB LYS A 42 -11.720 10.194 0.809 1.00 0.00 C ATOM 659 CG LYS A 42 -11.347 10.897 -0.486 1.00 0.00 C ATOM 660 CD LYS A 42 -12.520 10.942 -1.452 1.00 0.00 C ATOM 661 CE LYS A 42 -13.204 12.299 -1.435 1.00 0.00 C ATOM 662 NZ LYS A 42 -14.258 12.404 -2.481 1.00 0.00 N ATOM 0 H LYS A 42 -10.243 8.224 0.921 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.835 10.871 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.075 9.190 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.549 10.726 1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.015 11.912 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.509 10.381 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.171 10.722 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.240 10.167 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.648 12.469 -0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.461 13.082 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.700 13.344 -2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.831 12.267 -3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.981 11.674 -2.320 1.00 0.00 H new ATOM 676 N GLU A 43 -11.359 9.238 3.936 1.00 0.00 N ATOM 677 CA GLU A 43 -11.860 9.323 5.301 1.00 0.00 C ATOM 678 C GLU A 43 -10.920 8.618 6.274 1.00 0.00 C ATOM 679 O GLU A 43 -10.452 9.215 7.243 1.00 0.00 O ATOM 680 CB GLU A 43 -13.259 8.713 5.393 1.00 0.00 C ATOM 681 CG GLU A 43 -14.273 9.378 4.476 1.00 0.00 C ATOM 682 CD GLU A 43 -15.056 8.378 3.646 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.134 7.200 4.056 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.591 8.773 2.590 1.00 0.00 O ATOM 0 H GLU A 43 -11.240 8.286 3.589 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.912 10.377 5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.201 7.652 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.611 8.784 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.966 9.969 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.756 10.070 3.811 1.00 0.00 H new ATOM 691 N LEU A 44 -10.649 7.344 6.009 1.00 0.00 N ATOM 692 CA LEU A 44 -9.765 6.557 6.862 1.00 0.00 C ATOM 693 C LEU A 44 -8.334 7.087 6.802 1.00 0.00 C ATOM 694 O LEU A 44 -7.805 7.354 5.724 1.00 0.00 O ATOM 695 CB LEU A 44 -9.798 5.084 6.442 1.00 0.00 C ATOM 696 CG LEU A 44 -10.255 4.112 7.531 1.00 0.00 C ATOM 697 CD1 LEU A 44 -9.320 4.175 8.729 1.00 0.00 C ATOM 698 CD2 LEU A 44 -11.685 4.416 7.951 1.00 0.00 C ATOM 0 H LEU A 44 -11.029 6.835 5.211 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.119 6.643 7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.461 4.981 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.801 4.793 6.112 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.224 3.101 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.661 3.477 9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.310 3.907 8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.318 5.186 9.136 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.993 3.715 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.742 5.433 8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.346 4.318 7.090 1.00 0.00 H new ATOM 710 N PHE A 45 -7.715 7.235 7.970 1.00 0.00 N ATOM 711 CA PHE A 45 -6.345 7.731 8.050 1.00 0.00 C ATOM 712 C PHE A 45 -5.352 6.574 8.121 1.00 0.00 C ATOM 713 O PHE A 45 -5.174 5.960 9.174 1.00 0.00 O ATOM 714 CB PHE A 45 -6.180 8.636 9.273 1.00 0.00 C ATOM 715 CG PHE A 45 -4.840 9.311 9.343 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.750 8.662 9.898 1.00 0.00 C ATOM 717 CD2 PHE A 45 -4.672 10.597 8.854 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.515 9.281 9.965 1.00 0.00 C ATOM 719 CE2 PHE A 45 -3.440 11.221 8.917 1.00 0.00 C ATOM 720 CZ PHE A 45 -2.361 10.563 9.473 1.00 0.00 C ATOM 0 H PHE A 45 -8.139 7.019 8.872 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.139 8.308 7.149 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.961 9.397 9.260 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.327 8.043 10.176 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.866 7.660 10.283 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.513 11.117 8.419 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.673 8.764 10.401 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.322 12.223 8.531 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.398 11.050 9.523 1.00 0.00 H new ATOM 730 N PHE A 46 -4.711 6.282 6.995 1.00 0.00 N ATOM 731 CA PHE A 46 -3.740 5.197 6.928 1.00 0.00 C ATOM 732 C PHE A 46 -2.309 5.735 6.946 1.00 0.00 C ATOM 733 O PHE A 46 -1.926 6.520 6.078 1.00 0.00 O ATOM 734 CB PHE A 46 -3.954 4.373 5.657 1.00 0.00 C ATOM 735 CG PHE A 46 -5.281 3.671 5.600 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.667 2.806 6.609 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.136 3.874 4.529 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.886 2.155 6.551 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.355 3.226 4.466 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.730 2.365 5.478 1.00 0.00 C ATOM 0 H PHE A 46 -4.846 6.782 6.116 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.887 4.565 7.804 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.864 5.029 4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.159 3.632 5.579 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.010 2.638 7.450 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.847 4.546 3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.178 1.483 7.344 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.013 3.393 3.626 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.682 1.857 5.431 1.00 0.00 H new ATOM 750 N PRO A 47 -1.490 5.311 7.927 1.00 0.00 N ATOM 751 CA PRO A 47 -0.096 5.751 8.029 1.00 0.00 C ATOM 752 C PRO A 47 0.783 5.098 6.967 1.00 0.00 C ATOM 753 O PRO A 47 1.876 5.574 6.665 1.00 0.00 O ATOM 754 CB PRO A 47 0.316 5.291 9.427 1.00 0.00 C ATOM 755 CG PRO A 47 -0.543 4.107 9.701 1.00 0.00 C ATOM 756 CD PRO A 47 -1.850 4.364 8.999 1.00 0.00 C ATOM 0 HA PRO A 47 0.014 6.824 7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.374 5.030 9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.156 6.076 10.166 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.076 3.194 9.332 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.696 3.977 10.772 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.275 3.445 8.596 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.592 4.788 9.676 1.00 0.00 H new ATOM 764 N VAL A 48 0.299 3.995 6.408 1.00 0.00 N ATOM 765 CA VAL A 48 1.030 3.270 5.386 1.00 0.00 C ATOM 766 C VAL A 48 0.092 2.692 4.333 1.00 0.00 C ATOM 767 O VAL A 48 -0.783 1.889 4.640 1.00 0.00 O ATOM 768 CB VAL A 48 1.833 2.126 6.009 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.829 1.552 5.014 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.526 2.625 7.253 1.00 0.00 C ATOM 0 H VAL A 48 -0.603 3.584 6.650 1.00 0.00 H new ATOM 0 HA VAL A 48 1.704 3.981 4.909 1.00 0.00 H new ATOM 0 HB VAL A 48 1.154 1.319 6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.386 0.741 5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.295 1.170 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.521 2.333 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.099 1.813 7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.198 3.443 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.782 2.980 7.966 1.00 0.00 H new ATOM 780 N ILE A 49 0.297 3.100 3.093 1.00 0.00 N ATOM 781 CA ILE A 49 -0.502 2.619 1.976 1.00 0.00 C ATOM 782 C ILE A 49 0.324 1.664 1.123 1.00 0.00 C ATOM 783 O ILE A 49 1.551 1.758 1.090 1.00 0.00 O ATOM 784 CB ILE A 49 -0.994 3.779 1.086 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.497 4.945 1.943 1.00 0.00 C ATOM 786 CG2 ILE A 49 -2.081 3.293 0.138 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.836 4.688 2.599 1.00 0.00 C ATOM 0 H ILE A 49 1.019 3.771 2.831 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.370 2.107 2.391 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.155 4.139 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.759 5.160 2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.574 5.836 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.419 4.122 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.683 2.502 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.921 2.907 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.125 5.558 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.588 4.503 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.761 3.817 3.250 1.00 0.00 H new ATOM 799 N VAL A 50 -0.343 0.753 0.427 1.00 0.00 N ATOM 800 CA VAL A 50 0.343 -0.203 -0.432 1.00 0.00 C ATOM 801 C VAL A 50 -0.393 -0.305 -1.764 1.00 0.00 C ATOM 802 O VAL A 50 -1.460 0.288 -1.928 1.00 0.00 O ATOM 803 CB VAL A 50 0.441 -1.593 0.237 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.426 -2.485 -0.502 1.00 0.00 C ATOM 805 CG2 VAL A 50 0.845 -1.453 1.698 1.00 0.00 C ATOM 0 H VAL A 50 -1.358 0.656 0.440 1.00 0.00 H new ATOM 0 HA VAL A 50 1.360 0.151 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.542 -2.061 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.476 -3.457 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.096 -2.616 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.413 -2.023 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.909 -2.441 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.815 -0.960 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.100 -0.858 2.226 1.00 0.00 H new ATOM 815 N LEU A 51 0.156 -1.052 -2.716 1.00 0.00 N ATOM 816 CA LEU A 51 -0.492 -1.197 -4.014 1.00 0.00 C ATOM 817 C LEU A 51 0.007 -2.433 -4.754 1.00 0.00 C ATOM 818 O LEU A 51 1.182 -2.535 -5.099 1.00 0.00 O ATOM 819 CB LEU A 51 -0.260 0.053 -4.865 1.00 0.00 C ATOM 820 CG LEU A 51 -0.771 -0.037 -6.305 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.290 0.019 -6.335 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.178 1.077 -7.153 1.00 0.00 C ATOM 0 H LEU A 51 1.035 -1.560 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.561 -1.319 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.742 0.900 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.809 0.265 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.454 -0.992 -6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.636 -0.046 -7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.696 -0.815 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.628 0.958 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.553 0.996 -8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.464 2.043 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.909 0.991 -7.158 1.00 0.00 H new ATOM 834 N ASP A 52 -0.908 -3.359 -5.002 1.00 0.00 N ATOM 835 CA ASP A 52 -0.596 -4.593 -5.715 1.00 0.00 C ATOM 836 C ASP A 52 -1.146 -4.532 -7.135 1.00 0.00 C ATOM 837 O ASP A 52 -2.287 -4.923 -7.386 1.00 0.00 O ATOM 838 CB ASP A 52 -1.184 -5.795 -4.975 1.00 0.00 C ATOM 839 CG ASP A 52 -0.460 -7.086 -5.297 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.487 -7.506 -6.473 1.00 0.00 O ATOM 841 OD2 ASP A 52 0.136 -7.680 -4.373 1.00 0.00 O ATOM 0 H ASP A 52 -1.884 -3.279 -4.717 1.00 0.00 H new ATOM 0 HA ASP A 52 0.487 -4.706 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.138 -5.614 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.237 -5.898 -5.236 1.00 0.00 H new ATOM 846 N VAL A 53 -0.334 -4.024 -8.056 1.00 0.00 N ATOM 847 CA VAL A 53 -0.738 -3.892 -9.451 1.00 0.00 C ATOM 848 C VAL A 53 -1.121 -5.240 -10.062 1.00 0.00 C ATOM 849 O VAL A 53 -0.318 -5.877 -10.744 1.00 0.00 O ATOM 850 CB VAL A 53 0.383 -3.247 -10.294 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.683 -1.844 -9.791 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.642 -4.105 -10.273 1.00 0.00 C ATOM 0 H VAL A 53 0.612 -3.696 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.616 -3.246 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 53 0.038 -3.180 -11.326 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.475 -1.402 -10.395 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.215 -1.231 -9.866 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.004 -1.891 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.417 -3.629 -10.874 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.993 -4.211 -9.247 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.418 -5.090 -10.683 1.00 0.00 H new ATOM 862 N TRP A 54 -2.358 -5.666 -9.823 1.00 0.00 N ATOM 863 CA TRP A 54 -2.843 -6.931 -10.362 1.00 0.00 C ATOM 864 C TRP A 54 -3.288 -6.756 -11.813 1.00 0.00 C ATOM 865 O TRP A 54 -2.526 -7.026 -12.741 1.00 0.00 O ATOM 866 CB TRP A 54 -3.997 -7.469 -9.508 1.00 0.00 C ATOM 867 CG TRP A 54 -4.638 -8.699 -10.076 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.954 -8.867 -10.398 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.987 -9.933 -10.394 1.00 0.00 C ATOM 870 NE1 TRP A 54 -6.161 -10.132 -10.893 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.968 -10.806 -10.900 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.669 -10.383 -10.298 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -4.671 -12.103 -11.309 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -2.375 -11.671 -10.704 1.00 0.00 C ATOM 875 CH2 TRP A 54 -3.371 -12.518 -11.203 1.00 0.00 C ATOM 0 H TRP A 54 -3.040 -5.156 -9.262 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.028 -7.654 -10.336 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.625 -7.691 -8.508 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.753 -6.691 -9.401 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.721 -8.115 -10.281 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.057 -10.508 -11.204 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.894 -9.737 -9.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.438 -12.758 -11.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.359 -12.030 -10.635 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.109 -13.519 -11.511 1.00 0.00 H new ATOM 886 N MET A 55 -4.519 -6.291 -12.000 1.00 0.00 N ATOM 887 CA MET A 55 -5.057 -6.069 -13.336 1.00 0.00 C ATOM 888 C MET A 55 -6.046 -4.899 -13.347 1.00 0.00 C ATOM 889 O MET A 55 -7.119 -4.991 -13.944 1.00 0.00 O ATOM 890 CB MET A 55 -5.734 -7.342 -13.851 1.00 0.00 C ATOM 891 CG MET A 55 -4.896 -8.112 -14.860 1.00 0.00 C ATOM 892 SD MET A 55 -5.693 -9.633 -15.406 1.00 0.00 S ATOM 893 CE MET A 55 -4.898 -9.881 -16.992 1.00 0.00 C ATOM 0 H MET A 55 -5.162 -6.061 -11.243 1.00 0.00 H new ATOM 0 HA MET A 55 -4.228 -5.815 -13.997 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.957 -7.992 -13.005 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.687 -7.077 -14.310 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.701 -7.478 -15.725 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.930 -8.352 -14.417 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.287 -10.787 -17.456 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.100 -9.027 -17.638 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.822 -9.980 -16.848 1.00 0.00 H new ATOM 903 N PRO A 56 -5.702 -3.774 -12.688 1.00 0.00 N ATOM 904 CA PRO A 56 -6.570 -2.596 -12.638 1.00 0.00 C ATOM 905 C PRO A 56 -6.474 -1.754 -13.907 1.00 0.00 C ATOM 906 O PRO A 56 -5.929 -2.198 -14.917 1.00 0.00 O ATOM 907 CB PRO A 56 -6.026 -1.824 -11.441 1.00 0.00 C ATOM 908 CG PRO A 56 -4.572 -2.144 -11.426 1.00 0.00 C ATOM 909 CD PRO A 56 -4.443 -3.553 -11.944 1.00 0.00 C ATOM 0 HA PRO A 56 -7.624 -2.860 -12.554 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.196 -0.753 -11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.511 -2.133 -10.515 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.014 -1.447 -12.052 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.166 -2.062 -10.418 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.572 -3.663 -12.590 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.329 -4.269 -11.130 1.00 0.00 H new ATOM 917 N ASP A 57 -7.004 -0.535 -13.849 1.00 0.00 N ATOM 918 CA ASP A 57 -6.972 0.365 -14.995 1.00 0.00 C ATOM 919 C ASP A 57 -6.633 1.789 -14.562 1.00 0.00 C ATOM 920 O ASP A 57 -7.321 2.743 -14.930 1.00 0.00 O ATOM 921 CB ASP A 57 -8.316 0.345 -15.723 1.00 0.00 C ATOM 922 CG ASP A 57 -8.286 1.133 -17.018 1.00 0.00 C ATOM 923 OD1 ASP A 57 -7.899 0.555 -18.056 1.00 0.00 O ATOM 924 OD2 ASP A 57 -8.648 2.328 -16.995 1.00 0.00 O ATOM 0 H ASP A 57 -7.460 -0.150 -13.022 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.194 0.019 -15.675 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.595 -0.687 -15.936 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.086 0.755 -15.069 1.00 0.00 H new ATOM 929 N GLY A 58 -5.566 1.927 -13.780 1.00 0.00 N ATOM 930 CA GLY A 58 -5.155 3.238 -13.312 1.00 0.00 C ATOM 931 C GLY A 58 -3.684 3.287 -12.945 1.00 0.00 C ATOM 932 O GLY A 58 -3.153 2.347 -12.354 1.00 0.00 O ATOM 0 H GLY A 58 -4.980 1.155 -13.463 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.358 3.977 -14.087 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.753 3.514 -12.443 1.00 0.00 H new ATOM 936 N ASP A 59 -3.026 4.388 -13.297 1.00 0.00 N ATOM 937 CA ASP A 59 -1.608 4.557 -13.001 1.00 0.00 C ATOM 938 C ASP A 59 -1.397 4.925 -11.536 1.00 0.00 C ATOM 939 O ASP A 59 -2.201 5.647 -10.946 1.00 0.00 O ATOM 940 CB ASP A 59 -1.003 5.637 -13.902 1.00 0.00 C ATOM 941 CG ASP A 59 -0.433 5.066 -15.186 1.00 0.00 C ATOM 942 OD1 ASP A 59 0.306 4.062 -15.113 1.00 0.00 O ATOM 943 OD2 ASP A 59 -0.724 5.625 -16.264 1.00 0.00 O ATOM 0 H ASP A 59 -3.452 5.175 -13.787 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.107 3.608 -13.194 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.768 6.375 -14.144 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.216 6.160 -13.359 1.00 0.00 H new ATOM 948 N GLY A 60 -0.313 4.422 -10.955 1.00 0.00 N ATOM 949 CA GLY A 60 -0.018 4.708 -9.563 1.00 0.00 C ATOM 950 C GLY A 60 0.904 5.900 -9.388 1.00 0.00 C ATOM 951 O GLY A 60 1.013 6.448 -8.291 1.00 0.00 O ATOM 0 H GLY A 60 0.366 3.822 -11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.950 4.895 -9.030 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.440 3.831 -9.106 1.00 0.00 H new ATOM 955 N VAL A 61 1.568 6.307 -10.467 1.00 0.00 N ATOM 956 CA VAL A 61 2.480 7.439 -10.425 1.00 0.00 C ATOM 957 C VAL A 61 1.795 8.679 -9.858 1.00 0.00 C ATOM 958 O VAL A 61 2.296 9.311 -8.928 1.00 0.00 O ATOM 959 CB VAL A 61 3.025 7.761 -11.828 1.00 0.00 C ATOM 960 CG1 VAL A 61 4.092 8.834 -11.748 1.00 0.00 C ATOM 961 CG2 VAL A 61 3.571 6.507 -12.496 1.00 0.00 C ATOM 0 H VAL A 61 1.489 5.865 -11.383 1.00 0.00 H new ATOM 0 HA VAL A 61 3.308 7.160 -9.773 1.00 0.00 H new ATOM 0 HB VAL A 61 2.203 8.138 -12.437 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.467 9.050 -12.749 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.666 9.740 -11.317 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.912 8.485 -11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.951 6.758 -13.486 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.379 6.095 -11.891 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.775 5.768 -12.589 1.00 0.00 H new ATOM 971 N ASN A 62 0.647 9.026 -10.430 1.00 0.00 N ATOM 972 CA ASN A 62 -0.109 10.176 -10.001 1.00 0.00 C ATOM 973 C ASN A 62 -0.830 9.919 -8.676 1.00 0.00 C ATOM 974 O ASN A 62 -1.434 10.829 -8.107 1.00 0.00 O ATOM 975 CB ASN A 62 -1.118 10.513 -11.088 1.00 0.00 C ATOM 976 CG ASN A 62 -2.023 9.345 -11.422 1.00 0.00 C ATOM 977 OD1 ASN A 62 -3.031 9.114 -10.753 1.00 0.00 O ATOM 978 ND2 ASN A 62 -1.668 8.599 -12.462 1.00 0.00 N ATOM 0 H ASN A 62 0.223 8.513 -11.202 1.00 0.00 H new ATOM 0 HA ASN A 62 0.574 11.009 -9.837 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.726 11.359 -10.766 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.587 10.826 -11.987 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.239 7.799 -12.734 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.825 8.826 -12.989 1.00 0.00 H new ATOM 985 N PHE A 63 -0.772 8.680 -8.191 1.00 0.00 N ATOM 986 CA PHE A 63 -1.430 8.323 -6.939 1.00 0.00 C ATOM 987 C PHE A 63 -0.544 8.620 -5.733 1.00 0.00 C ATOM 988 O PHE A 63 -1.034 9.029 -4.681 1.00 0.00 O ATOM 989 CB PHE A 63 -1.820 6.845 -6.942 1.00 0.00 C ATOM 990 CG PHE A 63 -2.642 6.447 -5.750 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.763 7.179 -5.394 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.289 5.349 -4.981 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.519 6.824 -4.295 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.044 4.988 -3.881 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.160 5.727 -3.537 1.00 0.00 C ATOM 0 H PHE A 63 -0.278 7.911 -8.644 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.329 8.934 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.380 6.626 -7.851 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.916 6.237 -6.971 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.049 8.038 -5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.416 4.770 -5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.390 7.404 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.762 4.129 -3.291 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.750 5.447 -2.677 1.00 0.00 H new ATOM 1005 N ILE A 64 0.762 8.411 -5.884 1.00 0.00 N ATOM 1006 CA ILE A 64 1.706 8.657 -4.796 1.00 0.00 C ATOM 1007 C ILE A 64 1.487 10.038 -4.180 1.00 0.00 C ATOM 1008 O ILE A 64 1.696 10.232 -2.982 1.00 0.00 O ATOM 1009 CB ILE A 64 3.168 8.534 -5.279 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.456 7.100 -5.737 1.00 0.00 C ATOM 1011 CG2 ILE A 64 4.138 8.945 -4.179 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.583 6.957 -7.237 1.00 0.00 C ATOM 0 H ILE A 64 1.190 8.073 -6.746 1.00 0.00 H new ATOM 0 HA ILE A 64 1.524 7.896 -4.037 1.00 0.00 H new ATOM 0 HB ILE A 64 3.308 9.207 -6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.378 6.756 -5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.657 6.448 -5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.161 8.850 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.948 9.980 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.999 8.299 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.787 5.916 -7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.653 7.269 -7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.401 7.583 -7.594 1.00 0.00 H new ATOM 1024 N ASP A 65 1.056 10.989 -5.001 1.00 0.00 N ATOM 1025 CA ASP A 65 0.802 12.343 -4.527 1.00 0.00 C ATOM 1026 C ASP A 65 -0.547 12.419 -3.820 1.00 0.00 C ATOM 1027 O ASP A 65 -0.760 13.274 -2.961 1.00 0.00 O ATOM 1028 CB ASP A 65 0.843 13.335 -5.691 1.00 0.00 C ATOM 1029 CG ASP A 65 1.204 14.738 -5.243 1.00 0.00 C ATOM 1030 OD1 ASP A 65 2.396 14.982 -4.958 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.296 15.593 -5.177 1.00 0.00 O ATOM 0 H ASP A 65 0.876 10.848 -5.995 1.00 0.00 H new ATOM 0 HA ASP A 65 1.584 12.607 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.569 12.994 -6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.129 13.353 -6.184 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.453 11.513 -4.173 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.768 11.479 -3.550 1.00 0.00 C ATOM 1038 C PHE A 66 -2.636 11.065 -2.091 1.00 0.00 C ATOM 1039 O PHE A 66 -3.272 11.641 -1.209 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.693 10.512 -4.292 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.047 10.371 -3.656 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.255 9.460 -2.632 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.111 11.153 -4.078 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.498 9.331 -2.043 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.356 11.028 -3.492 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.550 10.116 -2.474 1.00 0.00 C ATOM 0 H PHE A 66 -1.301 10.797 -4.883 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.205 12.476 -3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.817 10.856 -5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.219 9.532 -4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.436 8.844 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.965 11.868 -4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.647 8.617 -1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.177 11.643 -3.830 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.523 10.016 -2.015 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.789 10.069 -1.843 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.555 9.587 -0.489 1.00 0.00 C ATOM 1058 C ILE A 67 -1.011 10.716 0.381 1.00 0.00 C ATOM 1059 O ILE A 67 -1.438 10.899 1.521 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.572 8.394 -0.479 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.223 7.168 -1.122 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.124 8.069 0.942 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.164 7.172 -2.634 1.00 0.00 C ATOM 0 H ILE A 67 -1.255 9.582 -2.563 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.507 9.244 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 67 0.308 8.672 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.731 6.269 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.265 7.114 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.567 7.226 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.375 8.937 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.993 7.811 1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.645 6.273 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.681 8.052 -3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.123 7.194 -2.957 1.00 0.00 H new ATOM 1075 N LYS A 68 -0.074 11.482 -0.172 1.00 0.00 N ATOM 1076 CA LYS A 68 0.514 12.603 0.548 1.00 0.00 C ATOM 1077 C LYS A 68 -0.435 13.802 0.543 1.00 0.00 C ATOM 1078 O LYS A 68 -0.331 14.691 1.388 1.00 0.00 O ATOM 1079 CB LYS A 68 1.863 12.989 -0.057 1.00 0.00 C ATOM 1080 CG LYS A 68 1.785 13.369 -1.515 1.00 0.00 C ATOM 1081 CD LYS A 68 1.442 14.842 -1.694 1.00 0.00 C ATOM 1082 CE LYS A 68 2.635 15.635 -2.202 1.00 0.00 C ATOM 1083 NZ LYS A 68 3.323 16.369 -1.104 1.00 0.00 N ATOM 0 H LYS A 68 0.292 11.346 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 68 0.678 12.295 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.278 13.825 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.554 12.154 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.738 13.156 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.032 12.757 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.613 14.941 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.107 15.257 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.341 14.959 -2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.303 16.344 -2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.131 16.897 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.657 17.033 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.663 15.691 -0.393 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.364 13.814 -0.413 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.336 14.896 -0.529 1.00 0.00 C ATOM 1099 C GLU A 69 -3.320 14.874 0.637 1.00 0.00 C ATOM 1100 O GLU A 69 -3.766 15.921 1.106 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.099 14.785 -1.849 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.977 15.991 -2.147 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.925 15.749 -3.305 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.453 15.316 -4.378 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -6.139 15.991 -3.139 1.00 0.00 O ATOM 0 H GLU A 69 -1.462 13.084 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.792 15.840 -0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.385 14.656 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.721 13.890 -1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.553 16.245 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.345 16.849 -2.373 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.654 13.673 1.100 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.586 13.512 2.213 1.00 0.00 C ATOM 1114 C ASN A 70 -3.976 12.653 3.319 1.00 0.00 C ATOM 1115 O ASN A 70 -4.682 12.183 4.211 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.896 12.881 1.731 1.00 0.00 C ATOM 1117 CG ASN A 70 -6.258 13.299 0.319 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -7.210 14.050 0.104 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.499 12.808 -0.653 1.00 0.00 N ATOM 0 H ASN A 70 -3.294 12.797 0.722 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.795 14.502 2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.810 11.795 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.702 13.164 2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.695 13.050 -1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.720 12.189 -0.428 1.00 0.00 H new ATOM 1126 N SER A 71 -2.661 12.452 3.258 1.00 0.00 N ATOM 1127 CA SER A 71 -1.964 11.652 4.257 1.00 0.00 C ATOM 1128 C SER A 71 -0.456 11.892 4.181 1.00 0.00 C ATOM 1129 O SER A 71 0.308 11.000 3.813 1.00 0.00 O ATOM 1130 CB SER A 71 -2.275 10.165 4.060 1.00 0.00 C ATOM 1131 OG SER A 71 -3.160 9.693 5.060 1.00 0.00 O ATOM 0 H SER A 71 -2.059 12.833 2.527 1.00 0.00 H new ATOM 0 HA SER A 71 -2.313 11.955 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.717 10.010 3.076 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.350 9.590 4.088 1.00 0.00 H new ATOM 0 HG SER A 71 -3.924 10.302 5.135 1.00 0.00 H new ATOM 1137 N PRO A 72 -0.009 13.110 4.532 1.00 0.00 N ATOM 1138 CA PRO A 72 1.412 13.469 4.505 1.00 0.00 C ATOM 1139 C PRO A 72 2.214 12.704 5.545 1.00 0.00 C ATOM 1140 O PRO A 72 3.433 12.571 5.439 1.00 0.00 O ATOM 1141 CB PRO A 72 1.424 14.973 4.818 1.00 0.00 C ATOM 1142 CG PRO A 72 0.008 15.424 4.676 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.846 14.229 4.982 1.00 0.00 C ATOM 0 HA PRO A 72 1.871 13.225 3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.796 15.161 5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.077 15.511 4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.210 16.243 5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.184 15.792 3.668 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.078 14.159 6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.796 14.263 4.449 1.00 0.00 H new ATOM 1151 N ASP A 73 1.514 12.204 6.546 1.00 0.00 N ATOM 1152 CA ASP A 73 2.139 11.444 7.621 1.00 0.00 C ATOM 1153 C ASP A 73 1.998 9.943 7.385 1.00 0.00 C ATOM 1154 O ASP A 73 2.019 9.153 8.328 1.00 0.00 O ATOM 1155 CB ASP A 73 1.520 11.820 8.965 1.00 0.00 C ATOM 1156 CG ASP A 73 2.443 11.523 10.131 1.00 0.00 C ATOM 1157 OD1 ASP A 73 2.636 10.331 10.446 1.00 0.00 O ATOM 1158 OD2 ASP A 73 2.971 12.485 10.728 1.00 0.00 O ATOM 0 H ASP A 73 0.504 12.310 6.640 1.00 0.00 H new ATOM 0 HA ASP A 73 3.200 11.691 7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.272 12.881 8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.586 11.274 9.097 1.00 0.00 H new ATOM 1163 N SER A 74 1.854 9.556 6.119 1.00 0.00 N ATOM 1164 CA SER A 74 1.710 8.148 5.765 1.00 0.00 C ATOM 1165 C SER A 74 2.920 7.662 4.970 1.00 0.00 C ATOM 1166 O SER A 74 3.946 8.340 4.918 1.00 0.00 O ATOM 1167 CB SER A 74 0.430 7.934 4.954 1.00 0.00 C ATOM 1168 OG SER A 74 0.230 6.560 4.669 1.00 0.00 O ATOM 0 H SER A 74 1.834 10.196 5.325 1.00 0.00 H new ATOM 0 HA SER A 74 1.648 7.570 6.687 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.425 8.322 5.509 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.488 8.497 4.023 1.00 0.00 H new ATOM 0 HG SER A 74 -0.701 6.319 4.859 1.00 0.00 H new ATOM 1174 N VAL A 75 2.797 6.492 4.344 1.00 0.00 N ATOM 1175 CA VAL A 75 3.893 5.945 3.550 1.00 0.00 C ATOM 1176 C VAL A 75 3.401 5.113 2.379 1.00 0.00 C ATOM 1177 O VAL A 75 2.548 4.251 2.528 1.00 0.00 O ATOM 1178 CB VAL A 75 4.838 5.066 4.371 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.989 4.621 3.477 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.339 5.811 5.595 1.00 0.00 C ATOM 0 H VAL A 75 1.959 5.911 4.371 1.00 0.00 H new ATOM 0 HA VAL A 75 4.429 6.822 3.187 1.00 0.00 H new ATOM 0 HB VAL A 75 4.306 4.186 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.672 3.993 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.596 4.055 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.524 5.497 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.009 5.167 6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.876 6.706 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.492 6.095 6.220 1.00 0.00 H new ATOM 1190 N VAL A 76 3.953 5.385 1.212 1.00 0.00 N ATOM 1191 CA VAL A 76 3.570 4.667 0.002 1.00 0.00 C ATOM 1192 C VAL A 76 4.587 3.590 -0.358 1.00 0.00 C ATOM 1193 O VAL A 76 5.727 3.889 -0.708 1.00 0.00 O ATOM 1194 CB VAL A 76 3.401 5.628 -1.189 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.877 4.886 -2.410 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.477 6.778 -0.819 1.00 0.00 C ATOM 0 H VAL A 76 4.669 6.098 1.072 1.00 0.00 H new ATOM 0 HA VAL A 76 2.613 4.189 0.212 1.00 0.00 H new ATOM 0 HB VAL A 76 4.379 6.041 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.765 5.584 -3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.580 4.101 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.910 4.441 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.369 7.447 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.499 6.384 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.899 7.328 0.022 1.00 0.00 H new ATOM 1206 N ILE A 77 4.159 2.334 -0.273 1.00 0.00 N ATOM 1207 CA ILE A 77 5.022 1.205 -0.594 1.00 0.00 C ATOM 1208 C ILE A 77 4.839 0.775 -2.048 1.00 0.00 C ATOM 1209 O ILE A 77 5.776 0.840 -2.844 1.00 0.00 O ATOM 1210 CB ILE A 77 4.745 0.006 0.338 1.00 0.00 C ATOM 1211 CG1 ILE A 77 4.922 0.421 1.799 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.666 -1.158 0.000 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.337 0.835 2.142 1.00 0.00 C ATOM 0 H ILE A 77 3.216 2.073 0.017 1.00 0.00 H new ATOM 0 HA ILE A 77 6.051 1.532 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 77 3.715 -0.318 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.247 1.248 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.629 -0.409 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.456 -1.994 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.499 -1.467 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.704 -0.848 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.389 1.116 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.015 0.002 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.627 1.685 1.524 1.00 0.00 H new ATOM 1225 N VAL A 78 3.629 0.341 -2.388 1.00 0.00 N ATOM 1226 CA VAL A 78 3.326 -0.095 -3.747 1.00 0.00 C ATOM 1227 C VAL A 78 4.228 -1.255 -4.162 1.00 0.00 C ATOM 1228 O VAL A 78 5.432 -1.086 -4.348 1.00 0.00 O ATOM 1229 CB VAL A 78 3.490 1.065 -4.754 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.208 0.595 -6.174 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.580 2.225 -4.381 1.00 0.00 C ATOM 0 H VAL A 78 2.843 0.282 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 78 2.288 -0.428 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 78 4.523 1.410 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.330 1.430 -6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.905 -0.200 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.187 0.219 -6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.708 3.034 -5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.542 1.891 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.837 2.583 -3.384 1.00 0.00 H new ATOM 1241 N ILE A 79 3.631 -2.432 -4.305 1.00 0.00 N ATOM 1242 CA ILE A 79 4.372 -3.625 -4.696 1.00 0.00 C ATOM 1243 C ILE A 79 3.783 -4.224 -5.970 1.00 0.00 C ATOM 1244 O ILE A 79 2.796 -3.717 -6.502 1.00 0.00 O ATOM 1245 CB ILE A 79 4.355 -4.694 -3.578 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.261 -4.032 -2.200 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.596 -5.573 -3.659 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.015 -5.013 -1.075 1.00 0.00 C ATOM 0 H ILE A 79 2.634 -2.586 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 79 5.404 -3.323 -4.874 1.00 0.00 H new ATOM 0 HB ILE A 79 3.476 -5.322 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.185 -3.489 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.456 -3.297 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.566 -6.319 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.624 -6.074 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.487 -4.956 -3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.960 -4.475 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.076 -5.538 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.832 -5.734 -1.035 1.00 0.00 H new ATOM 1260 N THR A 80 4.387 -5.305 -6.461 1.00 0.00 N ATOM 1261 CA THR A 80 3.909 -5.962 -7.673 1.00 0.00 C ATOM 1262 C THR A 80 4.250 -5.138 -8.910 1.00 0.00 C ATOM 1263 O THR A 80 4.423 -3.922 -8.830 1.00 0.00 O ATOM 1264 CB THR A 80 2.396 -6.186 -7.594 1.00 0.00 C ATOM 1265 OG1 THR A 80 2.010 -6.509 -6.270 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.901 -7.292 -8.498 1.00 0.00 C ATOM 0 H THR A 80 5.206 -5.742 -6.038 1.00 0.00 H new ATOM 0 HA THR A 80 4.408 -6.927 -7.754 1.00 0.00 H new ATOM 0 HB THR A 80 1.949 -5.248 -7.923 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.194 -7.456 -6.097 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.821 -7.394 -8.390 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.141 -7.050 -9.533 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.384 -8.230 -8.223 1.00 0.00 H new ATOM 1317 N VAL A 85 10.212 -3.496 -14.917 1.00 0.00 N ATOM 1318 CA VAL A 85 10.596 -2.549 -13.879 1.00 0.00 C ATOM 1319 C VAL A 85 10.704 -1.132 -14.439 1.00 0.00 C ATOM 1320 O VAL A 85 11.787 -0.683 -14.818 1.00 0.00 O ATOM 1321 CB VAL A 85 11.937 -2.944 -13.227 1.00 0.00 C ATOM 1322 CG1 VAL A 85 13.039 -3.022 -14.272 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.307 -1.968 -12.120 1.00 0.00 C ATOM 0 HA VAL A 85 9.814 -2.574 -13.120 1.00 0.00 H new ATOM 0 HB VAL A 85 11.822 -3.932 -12.781 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.977 -3.302 -13.792 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.778 -3.769 -15.021 1.00 0.00 H new ATOM 0 HG13 VAL A 85 13.154 -2.051 -14.753 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.256 -2.266 -11.674 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.401 -0.965 -12.536 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.530 -1.973 -11.356 1.00 0.00 H new ATOM 1333 N ASP A 86 9.576 -0.432 -14.486 1.00 0.00 N ATOM 1334 CA ASP A 86 9.545 0.934 -14.996 1.00 0.00 C ATOM 1335 C ASP A 86 8.638 1.811 -14.142 1.00 0.00 C ATOM 1336 O ASP A 86 9.093 2.792 -13.553 1.00 0.00 O ATOM 1337 CB ASP A 86 9.077 0.952 -16.451 1.00 0.00 C ATOM 1338 CG ASP A 86 9.090 2.346 -17.047 1.00 0.00 C ATOM 1339 OD1 ASP A 86 10.070 3.083 -16.813 1.00 0.00 O ATOM 1340 OD2 ASP A 86 8.118 2.700 -17.750 1.00 0.00 O ATOM 0 H ASP A 86 8.671 -0.788 -14.177 1.00 0.00 H new ATOM 0 HA ASP A 86 10.557 1.336 -14.948 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.719 0.301 -17.044 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.068 0.544 -16.510 1.00 0.00 H new ATOM 1345 N THR A 87 7.356 1.457 -14.061 1.00 0.00 N ATOM 1346 CA THR A 87 6.407 2.224 -13.259 1.00 0.00 C ATOM 1347 C THR A 87 6.980 2.477 -11.869 1.00 0.00 C ATOM 1348 O THR A 87 6.706 3.499 -11.242 1.00 0.00 O ATOM 1349 CB THR A 87 5.064 1.489 -13.159 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.024 2.391 -12.827 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.049 0.375 -12.127 1.00 0.00 C ATOM 0 H THR A 87 6.954 0.650 -14.538 1.00 0.00 H new ATOM 0 HA THR A 87 6.235 3.183 -13.748 1.00 0.00 H new ATOM 0 HB THR A 87 4.912 1.046 -14.143 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.175 1.905 -12.769 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.066 -0.097 -12.115 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.805 -0.368 -12.382 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.265 0.789 -11.142 1.00 0.00 H new ATOM 1359 N ALA A 88 7.797 1.535 -11.409 1.00 0.00 N ATOM 1360 CA ALA A 88 8.436 1.645 -10.109 1.00 0.00 C ATOM 1361 C ALA A 88 9.290 2.900 -10.050 1.00 0.00 C ATOM 1362 O ALA A 88 9.073 3.781 -9.221 1.00 0.00 O ATOM 1363 CB ALA A 88 9.295 0.418 -9.846 1.00 0.00 C ATOM 0 H ALA A 88 8.031 0.685 -11.922 1.00 0.00 H new ATOM 0 HA ALA A 88 7.664 1.708 -9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.770 0.509 -8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.670 -0.475 -9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.062 0.339 -10.617 1.00 0.00 H new ATOM 1369 N VAL A 89 10.262 2.970 -10.947 1.00 0.00 N ATOM 1370 CA VAL A 89 11.159 4.109 -11.018 1.00 0.00 C ATOM 1371 C VAL A 89 10.398 5.397 -11.327 1.00 0.00 C ATOM 1372 O VAL A 89 10.878 6.496 -11.045 1.00 0.00 O ATOM 1373 CB VAL A 89 12.245 3.887 -12.091 1.00 0.00 C ATOM 1374 CG1 VAL A 89 13.051 2.638 -11.777 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.625 3.787 -13.479 1.00 0.00 C ATOM 0 H VAL A 89 10.449 2.245 -11.640 1.00 0.00 H new ATOM 0 HA VAL A 89 11.633 4.207 -10.041 1.00 0.00 H new ATOM 0 HB VAL A 89 12.916 4.746 -12.081 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.813 2.495 -12.543 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.530 2.749 -10.804 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.388 1.773 -11.758 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.411 3.631 -14.218 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.929 2.949 -13.507 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.091 4.710 -13.706 1.00 0.00 H new ATOM 1385 N LYS A 90 9.212 5.256 -11.912 1.00 0.00 N ATOM 1386 CA LYS A 90 8.388 6.406 -12.265 1.00 0.00 C ATOM 1387 C LYS A 90 7.494 6.837 -11.104 1.00 0.00 C ATOM 1388 O LYS A 90 6.920 7.925 -11.126 1.00 0.00 O ATOM 1389 CB LYS A 90 7.525 6.079 -13.485 1.00 0.00 C ATOM 1390 CG LYS A 90 6.634 7.228 -13.928 1.00 0.00 C ATOM 1391 CD LYS A 90 5.887 6.892 -15.209 1.00 0.00 C ATOM 1392 CE LYS A 90 6.764 7.093 -16.434 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.004 7.683 -17.571 1.00 0.00 N ATOM 0 H LYS A 90 8.800 4.354 -12.152 1.00 0.00 H new ATOM 0 HA LYS A 90 9.059 7.233 -12.500 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.174 5.794 -14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.902 5.214 -13.257 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.919 7.460 -13.139 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.240 8.121 -14.082 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.544 5.858 -15.171 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.999 7.519 -15.289 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.600 7.745 -16.179 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.187 6.136 -16.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.638 7.804 -18.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.222 7.049 -17.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.621 8.608 -17.290 1.00 0.00 H new ATOM 1407 N ALA A 91 7.366 5.978 -10.095 1.00 0.00 N ATOM 1408 CA ALA A 91 6.526 6.284 -8.942 1.00 0.00 C ATOM 1409 C ALA A 91 7.346 6.421 -7.663 1.00 0.00 C ATOM 1410 O ALA A 91 6.988 7.188 -6.769 1.00 0.00 O ATOM 1411 CB ALA A 91 5.462 5.210 -8.772 1.00 0.00 C ATOM 0 H ALA A 91 7.830 5.071 -10.053 1.00 0.00 H new ATOM 0 HA ALA A 91 6.045 7.244 -9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.840 5.447 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.841 5.169 -9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.942 4.243 -8.619 1.00 0.00 H new ATOM 1417 N ILE A 92 8.438 5.671 -7.573 1.00 0.00 N ATOM 1418 CA ILE A 92 9.291 5.712 -6.392 1.00 0.00 C ATOM 1419 C ILE A 92 10.129 6.988 -6.347 1.00 0.00 C ATOM 1420 O ILE A 92 10.590 7.400 -5.282 1.00 0.00 O ATOM 1421 CB ILE A 92 10.216 4.475 -6.310 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.398 4.596 -7.277 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.430 3.203 -6.599 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.338 3.411 -7.219 1.00 0.00 C ATOM 0 H ILE A 92 8.753 5.029 -8.301 1.00 0.00 H new ATOM 0 HA ILE A 92 8.625 5.703 -5.529 1.00 0.00 H new ATOM 0 HB ILE A 92 10.613 4.425 -5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.019 4.701 -8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.955 5.505 -7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.096 2.342 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.629 3.096 -5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.002 3.259 -7.600 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.153 3.558 -7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.745 3.318 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.794 2.502 -7.476 1.00 0.00 H new ATOM 1436 N LYS A 93 10.322 7.612 -7.505 1.00 0.00 N ATOM 1437 CA LYS A 93 11.101 8.842 -7.585 1.00 0.00 C ATOM 1438 C LYS A 93 10.201 10.074 -7.491 1.00 0.00 C ATOM 1439 O LYS A 93 10.619 11.184 -7.819 1.00 0.00 O ATOM 1440 CB LYS A 93 11.899 8.879 -8.891 1.00 0.00 C ATOM 1441 CG LYS A 93 12.938 7.774 -9.000 1.00 0.00 C ATOM 1442 CD LYS A 93 14.292 8.317 -9.431 1.00 0.00 C ATOM 1443 CE LYS A 93 15.271 8.364 -8.269 1.00 0.00 C ATOM 1444 NZ LYS A 93 16.243 9.485 -8.406 1.00 0.00 N ATOM 0 H LYS A 93 9.951 7.287 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 93 11.790 8.857 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.209 8.802 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.397 9.845 -8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.037 7.271 -8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.600 7.026 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.699 7.692 -10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.169 9.318 -9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.720 8.473 -7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.812 7.419 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.893 9.482 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.787 9.368 -9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.729 10.389 -8.435 1.00 0.00 H new ATOM 1458 N LYS A 94 8.963 9.871 -7.045 1.00 0.00 N ATOM 1459 CA LYS A 94 8.009 10.967 -6.913 1.00 0.00 C ATOM 1460 C LYS A 94 7.542 11.134 -5.467 1.00 0.00 C ATOM 1461 O LYS A 94 7.062 12.200 -5.083 1.00 0.00 O ATOM 1462 CB LYS A 94 6.804 10.731 -7.820 1.00 0.00 C ATOM 1463 CG LYS A 94 7.021 11.190 -9.253 1.00 0.00 C ATOM 1464 CD LYS A 94 6.002 12.240 -9.665 1.00 0.00 C ATOM 1465 CE LYS A 94 6.164 12.632 -11.125 1.00 0.00 C ATOM 1466 NZ LYS A 94 5.666 11.572 -12.044 1.00 0.00 N ATOM 0 H LYS A 94 8.599 8.959 -6.770 1.00 0.00 H new ATOM 0 HA LYS A 94 8.516 11.884 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.563 9.668 -7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.941 11.253 -7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.027 11.598 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.954 10.334 -9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.995 11.856 -9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.113 13.123 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.623 13.559 -11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.216 12.828 -11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.960 11.790 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.062 10.653 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.628 11.531 -11.997 1.00 0.00 H new ATOM 1480 N GLY A 95 7.682 10.077 -4.670 1.00 0.00 N ATOM 1481 CA GLY A 95 7.264 10.142 -3.282 1.00 0.00 C ATOM 1482 C GLY A 95 7.166 8.775 -2.629 1.00 0.00 C ATOM 1483 O GLY A 95 7.261 8.659 -1.407 1.00 0.00 O ATOM 0 H GLY A 95 8.075 9.182 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.971 10.756 -2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.295 10.638 -3.223 1.00 0.00 H new ATOM 1487 N ALA A 96 6.971 7.738 -3.439 1.00 0.00 N ATOM 1488 CA ALA A 96 6.855 6.378 -2.923 1.00 0.00 C ATOM 1489 C ALA A 96 8.062 5.996 -2.071 1.00 0.00 C ATOM 1490 O ALA A 96 9.012 6.767 -1.936 1.00 0.00 O ATOM 1491 CB ALA A 96 6.677 5.387 -4.065 1.00 0.00 C ATOM 0 H ALA A 96 6.890 7.813 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 96 5.972 6.342 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.592 4.378 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.773 5.632 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.539 5.440 -4.731 1.00 0.00 H new ATOM 1497 N TYR A 97 8.008 4.800 -1.494 1.00 0.00 N ATOM 1498 CA TYR A 97 9.086 4.303 -0.647 1.00 0.00 C ATOM 1499 C TYR A 97 9.856 3.185 -1.344 1.00 0.00 C ATOM 1500 O TYR A 97 10.435 2.316 -0.694 1.00 0.00 O ATOM 1501 CB TYR A 97 8.508 3.804 0.675 1.00 0.00 C ATOM 1502 CG TYR A 97 9.545 3.279 1.643 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.535 4.109 2.151 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.529 1.950 2.050 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.483 3.630 3.036 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.472 1.464 2.935 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.446 2.308 3.425 1.00 0.00 C ATOM 1508 OH TYR A 97 12.387 1.826 4.307 1.00 0.00 O ATOM 0 H TYR A 97 7.225 4.154 -1.598 1.00 0.00 H new ATOM 0 HA TYR A 97 9.782 5.119 -0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.962 4.618 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.786 3.014 0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.565 5.146 1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.767 1.287 1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.248 4.288 3.420 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.446 0.429 3.241 1.00 0.00 H new ATOM 0 HH TYR A 97 12.219 0.876 4.478 1.00 0.00 H new ATOM 1518 N GLU A 98 9.852 3.226 -2.673 1.00 0.00 N ATOM 1519 CA GLU A 98 10.541 2.232 -3.505 1.00 0.00 C ATOM 1520 C GLU A 98 9.659 1.010 -3.749 1.00 0.00 C ATOM 1521 O GLU A 98 8.975 0.532 -2.845 1.00 0.00 O ATOM 1522 CB GLU A 98 11.886 1.814 -2.881 1.00 0.00 C ATOM 1523 CG GLU A 98 11.843 0.513 -2.086 1.00 0.00 C ATOM 1524 CD GLU A 98 12.856 0.486 -0.959 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.049 1.536 -0.310 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.457 -0.583 -0.725 1.00 0.00 O ATOM 0 H GLU A 98 9.371 3.949 -3.209 1.00 0.00 H new ATOM 0 HA GLU A 98 10.747 2.700 -4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.624 1.714 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.231 2.613 -2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.843 0.376 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.029 -0.325 -2.757 1.00 0.00 H new ATOM 1533 N PHE A 99 9.684 0.512 -4.981 1.00 0.00 N ATOM 1534 CA PHE A 99 8.894 -0.654 -5.354 1.00 0.00 C ATOM 1535 C PHE A 99 9.467 -1.915 -4.720 1.00 0.00 C ATOM 1536 O PHE A 99 10.382 -2.535 -5.264 1.00 0.00 O ATOM 1537 CB PHE A 99 8.860 -0.804 -6.874 1.00 0.00 C ATOM 1538 CG PHE A 99 7.517 -0.514 -7.483 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.887 0.698 -7.259 1.00 0.00 C ATOM 1540 CD2 PHE A 99 6.892 -1.452 -8.289 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.656 0.971 -7.827 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.660 -1.187 -8.859 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.042 0.027 -8.628 1.00 0.00 C ATOM 0 H PHE A 99 10.245 0.900 -5.740 1.00 0.00 H new ATOM 0 HA PHE A 99 7.877 -0.511 -4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.599 -0.134 -7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.155 -1.820 -7.136 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.362 1.439 -6.633 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.373 -2.401 -8.474 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.175 1.921 -7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.182 -1.927 -9.483 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.081 0.238 -9.073 1.00 0.00 H new ATOM 1553 N LEU A 100 8.925 -2.289 -3.569 1.00 0.00 N ATOM 1554 CA LEU A 100 9.376 -3.473 -2.855 1.00 0.00 C ATOM 1555 C LEU A 100 9.318 -4.709 -3.749 1.00 0.00 C ATOM 1556 O LEU A 100 8.446 -4.824 -4.610 1.00 0.00 O ATOM 1557 CB LEU A 100 8.508 -3.668 -1.617 1.00 0.00 C ATOM 1558 CG LEU A 100 8.738 -4.963 -0.846 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.206 -5.126 -0.483 1.00 0.00 C ATOM 1560 CD2 LEU A 100 7.870 -4.972 0.398 1.00 0.00 C ATOM 0 H LEU A 100 8.167 -1.785 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 100 10.415 -3.333 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.677 -2.830 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.462 -3.628 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 100 8.461 -5.806 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.344 -6.057 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.805 -5.150 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.522 -4.288 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.034 -5.898 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.130 -4.122 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.821 -4.902 0.110 1.00 0.00 H new ATOM 1572 N GLU A 101 10.255 -5.629 -3.542 1.00 0.00 N ATOM 1573 CA GLU A 101 10.311 -6.852 -4.331 1.00 0.00 C ATOM 1574 C GLU A 101 9.391 -7.923 -3.750 1.00 0.00 C ATOM 1575 O GLU A 101 8.954 -7.826 -2.604 1.00 0.00 O ATOM 1576 CB GLU A 101 11.748 -7.375 -4.400 1.00 0.00 C ATOM 1577 CG GLU A 101 12.366 -7.270 -5.784 1.00 0.00 C ATOM 1578 CD GLU A 101 13.429 -8.322 -6.029 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.370 -9.389 -5.384 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.324 -8.078 -6.868 1.00 0.00 O ATOM 0 H GLU A 101 10.985 -5.550 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 101 9.969 -6.618 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.363 -6.818 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.762 -8.418 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.583 -7.368 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.805 -6.280 -5.908 1.00 0.00 H new ATOM 1654 N VAL A 106 4.750 -12.653 0.156 1.00 0.00 N ATOM 1655 CA VAL A 106 4.546 -11.416 0.903 1.00 0.00 C ATOM 1656 C VAL A 106 5.378 -11.395 2.187 1.00 0.00 C ATOM 1657 O VAL A 106 5.581 -10.340 2.785 1.00 0.00 O ATOM 1658 CB VAL A 106 3.058 -11.226 1.251 1.00 0.00 C ATOM 1659 CG1 VAL A 106 2.543 -12.416 2.043 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.836 -9.928 2.013 1.00 0.00 C ATOM 0 HA VAL A 106 4.873 -10.595 0.264 1.00 0.00 H new ATOM 0 HB VAL A 106 2.495 -11.163 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.490 -12.266 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.655 -13.324 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.114 -12.513 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.777 -9.819 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.411 -9.947 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.161 -9.087 1.401 1.00 0.00 H new ATOM 1670 N GLU A 107 5.862 -12.563 2.609 1.00 0.00 N ATOM 1671 CA GLU A 107 6.671 -12.660 3.814 1.00 0.00 C ATOM 1672 C GLU A 107 7.741 -11.571 3.839 1.00 0.00 C ATOM 1673 O GLU A 107 8.066 -11.030 4.896 1.00 0.00 O ATOM 1674 CB GLU A 107 7.323 -14.036 3.893 1.00 0.00 C ATOM 1675 CG GLU A 107 8.014 -14.293 5.214 1.00 0.00 C ATOM 1676 CD GLU A 107 8.987 -15.454 5.151 1.00 0.00 C ATOM 1677 OE1 GLU A 107 9.720 -15.560 4.146 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.016 -16.256 6.108 1.00 0.00 O ATOM 0 H GLU A 107 5.706 -13.451 2.132 1.00 0.00 H new ATOM 0 HA GLU A 107 6.021 -12.521 4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.563 -14.801 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.049 -14.134 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.548 -13.394 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.264 -14.495 5.978 1.00 0.00 H new ATOM 1685 N ARG A 108 8.269 -11.245 2.663 1.00 0.00 N ATOM 1686 CA ARG A 108 9.287 -10.208 2.547 1.00 0.00 C ATOM 1687 C ARG A 108 8.661 -8.838 2.774 1.00 0.00 C ATOM 1688 O ARG A 108 9.276 -7.950 3.366 1.00 0.00 O ATOM 1689 CB ARG A 108 9.950 -10.259 1.169 1.00 0.00 C ATOM 1690 CG ARG A 108 11.434 -9.927 1.195 1.00 0.00 C ATOM 1691 CD ARG A 108 11.805 -8.933 0.107 1.00 0.00 C ATOM 1692 NE ARG A 108 13.143 -9.177 -0.426 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.265 -8.949 0.255 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.213 -8.475 1.494 1.00 0.00 N ATOM 1695 NH2 ARG A 108 15.441 -9.197 -0.305 1.00 0.00 N ATOM 0 H ARG A 108 8.009 -11.683 1.779 1.00 0.00 H new ATOM 0 HA ARG A 108 10.050 -10.383 3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.816 -11.255 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.442 -9.561 0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.698 -9.516 2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.014 -10.841 1.067 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.077 -8.992 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.754 -7.921 0.508 1.00 0.00 H new ATOM 0 HE ARG A 108 13.223 -9.543 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.311 -8.283 1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.075 -8.302 2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.486 -9.562 -1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.301 -9.023 0.216 1.00 0.00 H new ATOM 1709 N PHE A 109 7.425 -8.682 2.310 1.00 0.00 N ATOM 1710 CA PHE A 109 6.694 -7.432 2.469 1.00 0.00 C ATOM 1711 C PHE A 109 6.573 -7.076 3.949 1.00 0.00 C ATOM 1712 O PHE A 109 6.535 -5.902 4.317 1.00 0.00 O ATOM 1713 CB PHE A 109 5.303 -7.549 1.830 1.00 0.00 C ATOM 1714 CG PHE A 109 4.361 -6.434 2.198 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.648 -5.123 1.855 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.188 -6.701 2.887 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.783 -4.098 2.190 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.320 -5.680 3.226 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.618 -4.378 2.877 1.00 0.00 C ATOM 0 H PHE A 109 6.907 -9.411 1.818 1.00 0.00 H new ATOM 0 HA PHE A 109 7.243 -6.636 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.414 -7.573 0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 109 4.858 -8.499 2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.559 -4.899 1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.950 -7.718 3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.018 -3.080 1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.410 -5.901 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.941 -3.579 3.141 1.00 0.00 H new ATOM 1729 N LEU A 110 6.520 -8.105 4.790 1.00 0.00 N ATOM 1730 CA LEU A 110 6.412 -7.918 6.234 1.00 0.00 C ATOM 1731 C LEU A 110 7.457 -6.932 6.745 1.00 0.00 C ATOM 1732 O LEU A 110 7.163 -6.069 7.571 1.00 0.00 O ATOM 1733 CB LEU A 110 6.578 -9.256 6.945 1.00 0.00 C ATOM 1734 CG LEU A 110 5.592 -9.513 8.084 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.394 -11.007 8.292 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.081 -8.854 9.365 1.00 0.00 C ATOM 0 H LEU A 110 6.550 -9.081 4.495 1.00 0.00 H new ATOM 0 HA LEU A 110 5.424 -7.509 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.477 -10.055 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.591 -9.315 7.342 1.00 0.00 H new ATOM 0 HG LEU A 110 4.630 -9.075 7.816 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.689 -11.171 9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.002 -11.453 7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.349 -11.470 8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.369 -9.045 10.168 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.053 -9.265 9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.172 -7.779 9.209 1.00 0.00 H new ATOM 1748 N LEU A 111 8.679 -7.077 6.249 1.00 0.00 N ATOM 1749 CA LEU A 111 9.778 -6.208 6.653 1.00 0.00 C ATOM 1750 C LEU A 111 9.467 -4.747 6.341 1.00 0.00 C ATOM 1751 O LEU A 111 9.429 -3.906 7.240 1.00 0.00 O ATOM 1752 CB LEU A 111 11.071 -6.632 5.956 1.00 0.00 C ATOM 1753 CG LEU A 111 11.520 -8.068 6.248 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.140 -8.993 5.102 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.020 -8.118 6.500 1.00 0.00 C ATOM 0 H LEU A 111 8.935 -7.789 5.565 1.00 0.00 H new ATOM 0 HA LEU A 111 9.907 -6.305 7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.940 -6.519 4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 111 11.868 -5.950 6.254 1.00 0.00 H new ATOM 0 HG LEU A 111 11.008 -8.410 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.468 -10.007 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.058 -8.982 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.621 -8.653 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.320 -9.145 6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.549 -7.755 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.266 -7.490 7.356 1.00 0.00 H new ATOM 1767 N THR A 112 9.251 -4.451 5.061 1.00 0.00 N ATOM 1768 CA THR A 112 8.949 -3.088 4.622 1.00 0.00 C ATOM 1769 C THR A 112 7.930 -2.419 5.545 1.00 0.00 C ATOM 1770 O THR A 112 8.042 -1.233 5.850 1.00 0.00 O ATOM 1771 CB THR A 112 8.425 -3.099 3.184 1.00 0.00 C ATOM 1772 OG1 THR A 112 9.397 -3.633 2.304 1.00 0.00 O ATOM 1773 CG2 THR A 112 8.049 -1.726 2.670 1.00 0.00 C ATOM 0 H THR A 112 9.279 -5.138 4.307 1.00 0.00 H new ATOM 0 HA THR A 112 9.873 -2.511 4.663 1.00 0.00 H new ATOM 0 HB THR A 112 7.527 -3.717 3.209 1.00 0.00 H new ATOM 0 HG1 THR A 112 9.515 -3.029 1.541 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.686 -1.808 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.266 -1.304 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 112 8.924 -1.076 2.694 1.00 0.00 H new ATOM 1781 N ILE A 113 6.943 -3.189 5.987 1.00 0.00 N ATOM 1782 CA ILE A 113 5.911 -2.671 6.881 1.00 0.00 C ATOM 1783 C ILE A 113 6.541 -2.073 8.138 1.00 0.00 C ATOM 1784 O ILE A 113 6.561 -0.855 8.316 1.00 0.00 O ATOM 1785 CB ILE A 113 4.908 -3.777 7.278 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.082 -4.202 6.063 1.00 0.00 C ATOM 1787 CG2 ILE A 113 3.998 -3.306 8.403 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.188 -3.106 5.526 1.00 0.00 C ATOM 0 H ILE A 113 6.834 -4.173 5.742 1.00 0.00 H new ATOM 0 HA ILE A 113 5.371 -1.891 6.344 1.00 0.00 H new ATOM 0 HB ILE A 113 5.471 -4.638 7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.757 -4.530 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.468 -5.061 6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.301 -4.102 8.665 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.600 -3.050 9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.440 -2.428 8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.632 -3.479 4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.489 -2.794 6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.798 -2.255 5.223 1.00 0.00 H new ATOM 1800 N LYS A 114 7.066 -2.940 8.997 1.00 0.00 N ATOM 1801 CA LYS A 114 7.713 -2.505 10.232 1.00 0.00 C ATOM 1802 C LYS A 114 8.810 -1.480 9.937 1.00 0.00 C ATOM 1803 O LYS A 114 9.195 -0.699 10.809 1.00 0.00 O ATOM 1804 CB LYS A 114 8.300 -3.716 10.967 1.00 0.00 C ATOM 1805 CG LYS A 114 9.196 -3.361 12.151 1.00 0.00 C ATOM 1806 CD LYS A 114 10.646 -3.105 11.740 1.00 0.00 C ATOM 1807 CE LYS A 114 11.160 -4.138 10.750 1.00 0.00 C ATOM 1808 NZ LYS A 114 10.815 -5.528 11.162 1.00 0.00 N ATOM 0 H LYS A 114 7.057 -3.951 8.861 1.00 0.00 H new ATOM 0 HA LYS A 114 6.966 -2.030 10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.481 -4.343 11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 114 8.874 -4.313 10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.801 -2.474 12.646 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.167 -4.172 12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.725 -2.112 11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.279 -3.111 12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.739 -3.937 9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.242 -4.045 10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.593 -6.169 10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.666 -5.558 12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.945 -5.828 10.677 1.00 0.00 H new ATOM 1822 N HIS A 115 9.292 -1.477 8.697 1.00 0.00 N ATOM 1823 CA HIS A 115 10.327 -0.540 8.280 1.00 0.00 C ATOM 1824 C HIS A 115 9.710 0.783 7.838 1.00 0.00 C ATOM 1825 O HIS A 115 10.358 1.828 7.881 1.00 0.00 O ATOM 1826 CB HIS A 115 11.156 -1.133 7.144 1.00 0.00 C ATOM 1827 CG HIS A 115 12.323 -1.943 7.616 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.336 -1.423 8.394 1.00 0.00 N ATOM 1829 CD2 HIS A 115 12.636 -3.246 7.415 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.221 -2.370 8.651 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.820 -3.484 8.068 1.00 0.00 N ATOM 0 H HIS A 115 8.981 -2.114 7.964 1.00 0.00 H new ATOM 0 HA HIS A 115 10.979 -0.353 9.133 1.00 0.00 H new ATOM 0 HB2 HIS A 115 10.514 -1.761 6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.518 -0.325 6.509 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.062 -3.963 6.847 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.120 -2.252 9.238 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.311 -4.378 8.098 1.00 0.00 H new ATOM 1840 N ALA A 116 8.450 0.730 7.413 1.00 0.00 N ATOM 1841 CA ALA A 116 7.741 1.921 6.963 1.00 0.00 C ATOM 1842 C ALA A 116 7.212 2.726 8.146 1.00 0.00 C ATOM 1843 O ALA A 116 7.100 3.950 8.077 1.00 0.00 O ATOM 1844 CB ALA A 116 6.600 1.534 6.035 1.00 0.00 C ATOM 0 H ALA A 116 7.900 -0.128 7.371 1.00 0.00 H new ATOM 0 HA ALA A 116 8.445 2.548 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.078 2.432 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 116 6.999 1.008 5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.904 0.884 6.565 1.00 0.00 H new ATOM 1850 N PHE A 117 6.883 2.028 9.229 1.00 0.00 N ATOM 1851 CA PHE A 117 6.362 2.673 10.428 1.00 0.00 C ATOM 1852 C PHE A 117 7.481 3.320 11.243 1.00 0.00 C ATOM 1853 O PHE A 117 7.228 4.198 12.069 1.00 0.00 O ATOM 1854 CB PHE A 117 5.618 1.654 11.294 1.00 0.00 C ATOM 1855 CG PHE A 117 4.231 1.345 10.807 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.185 2.220 11.053 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.972 0.178 10.107 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.907 1.938 10.610 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.696 -0.109 9.661 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.663 0.772 9.912 1.00 0.00 C ATOM 0 H PHE A 117 6.968 1.014 9.300 1.00 0.00 H new ATOM 0 HA PHE A 117 5.672 3.456 10.112 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.195 0.730 11.329 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.559 2.032 12.315 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.371 3.134 11.598 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.776 -0.515 9.908 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.101 2.628 10.809 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.507 -1.022 9.116 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.666 0.549 9.563 1.00 0.00 H new ATOM 1870 N GLU A 118 8.716 2.879 11.016 1.00 0.00 N ATOM 1871 CA GLU A 118 9.862 3.416 11.741 1.00 0.00 C ATOM 1872 C GLU A 118 10.695 4.351 10.866 1.00 0.00 C ATOM 1873 O GLU A 118 11.459 5.171 11.377 1.00 0.00 O ATOM 1874 CB GLU A 118 10.738 2.275 12.260 1.00 0.00 C ATOM 1875 CG GLU A 118 10.008 1.327 13.198 1.00 0.00 C ATOM 1876 CD GLU A 118 10.722 1.155 14.526 1.00 0.00 C ATOM 1877 OE1 GLU A 118 11.934 0.854 14.514 1.00 0.00 O ATOM 1878 OE2 GLU A 118 10.068 1.324 15.577 1.00 0.00 O ATOM 0 H GLU A 118 8.947 2.153 10.338 1.00 0.00 H new ATOM 0 HA GLU A 118 9.479 3.994 12.582 1.00 0.00 H new ATOM 0 HB2 GLU A 118 11.123 1.709 11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.599 2.696 12.780 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.001 1.703 13.377 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.904 0.354 12.717 1.00 0.00 H new