USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -166:sc= -0.0315 (180deg=-0.233) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 95:sc= 0.812 USER MOD Single : A 7 SER OG : rot 96:sc= 1.25 USER MOD Single : A 8 CYS SG : rot 66:sc= -0.498 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0.534 (180deg=0.428) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.184 F(o=-1.2,f=-0.18) USER MOD Single : A 26 GLN : amide:sc= -0.565 K(o=-0.57,f=-1.9!) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= 0.222 (180deg=0.124) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.458 F(o=-1.3,f=-0.46) USER MOD Single : A 47 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 174:sc= -0.051 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 177:sc= -1.14 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -3.909 4.221 -9.643 1.00 0.00 N ATOM 64 CA SER A 1 -4.850 4.391 -10.743 1.00 0.00 C ATOM 65 C SER A 1 -4.586 3.370 -11.846 1.00 0.00 C ATOM 66 O SER A 1 -5.510 2.917 -12.521 1.00 0.00 O ATOM 67 CB SER A 1 -4.754 5.808 -11.311 1.00 0.00 C ATOM 68 OG SER A 1 -5.136 6.772 -10.345 1.00 0.00 O ATOM 0 H1 SER A 1 -4.244 4.752 -8.814 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.836 3.212 -9.401 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.974 4.577 -9.928 1.00 0.00 H new ATOM 0 HA SER A 1 -5.856 4.230 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.733 6.003 -11.640 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.394 5.895 -12.189 1.00 0.00 H new ATOM 0 HG SER A 1 -5.064 7.669 -10.732 1.00 0.00 H new ATOM 74 N ALA A 2 -3.319 3.013 -12.022 1.00 0.00 N ATOM 75 CA ALA A 2 -2.932 2.044 -13.040 1.00 0.00 C ATOM 76 C ALA A 2 -3.452 0.652 -12.699 1.00 0.00 C ATOM 77 O ALA A 2 -3.663 -0.177 -13.585 1.00 0.00 O ATOM 78 CB ALA A 2 -1.419 2.021 -13.198 1.00 0.00 C ATOM 0 H ALA A 2 -2.542 3.380 -11.473 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.380 2.349 -13.986 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.144 1.293 -13.961 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.069 3.009 -13.496 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.958 1.744 -12.250 1.00 0.00 H new ATOM 84 N ASP A 3 -3.656 0.401 -11.411 1.00 0.00 N ATOM 85 CA ASP A 3 -4.152 -0.892 -10.953 1.00 0.00 C ATOM 86 C ASP A 3 -5.651 -1.019 -11.204 1.00 0.00 C ATOM 87 O ASP A 3 -6.129 -2.059 -11.658 1.00 0.00 O ATOM 88 CB ASP A 3 -3.854 -1.078 -9.464 1.00 0.00 C ATOM 89 CG ASP A 3 -2.665 -1.987 -9.221 1.00 0.00 C ATOM 90 OD1 ASP A 3 -2.561 -3.025 -9.908 1.00 0.00 O ATOM 91 OD2 ASP A 3 -1.838 -1.660 -8.344 1.00 0.00 O ATOM 0 H ASP A 3 -3.486 1.076 -10.665 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.640 -1.671 -11.518 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.663 -0.105 -9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.732 -1.493 -8.970 1.00 0.00 H new ATOM 96 N LEU A 4 -6.388 0.045 -10.905 1.00 0.00 N ATOM 97 CA LEU A 4 -7.834 0.053 -11.097 1.00 0.00 C ATOM 98 C LEU A 4 -8.186 0.050 -12.581 1.00 0.00 C ATOM 99 O LEU A 4 -9.102 -0.651 -13.011 1.00 0.00 O ATOM 100 CB LEU A 4 -8.452 1.276 -10.417 1.00 0.00 C ATOM 101 CG LEU A 4 -9.979 1.345 -10.419 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.537 0.885 -9.081 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.449 2.757 -10.738 1.00 0.00 C ATOM 0 H LEU A 4 -6.008 0.914 -10.529 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.241 -0.851 -10.644 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.108 1.304 -9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.067 2.171 -10.905 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.352 0.675 -11.194 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.625 0.941 -9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.230 -0.144 -8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.156 1.528 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.539 2.787 -10.735 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.065 3.447 -9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.081 3.050 -11.721 1.00 0.00 H new ATOM 115 N VAL A 5 -7.450 0.837 -13.360 1.00 0.00 N ATOM 116 CA VAL A 5 -7.682 0.923 -14.797 1.00 0.00 C ATOM 117 C VAL A 5 -7.319 -0.384 -15.491 1.00 0.00 C ATOM 118 O VAL A 5 -8.115 -0.939 -16.248 1.00 0.00 O ATOM 119 CB VAL A 5 -6.872 2.070 -15.429 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.037 2.072 -16.941 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.291 3.407 -14.837 1.00 0.00 C ATOM 0 H VAL A 5 -6.688 1.424 -13.020 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.745 1.121 -14.935 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.817 1.913 -15.204 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.457 2.890 -17.369 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.683 1.124 -17.347 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.090 2.203 -17.192 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.708 4.206 -15.295 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.351 3.574 -15.030 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.115 3.400 -13.761 1.00 0.00 H new ATOM 131 N SER A 6 -6.110 -0.872 -15.228 1.00 0.00 N ATOM 132 CA SER A 6 -5.639 -2.113 -15.831 1.00 0.00 C ATOM 133 C SER A 6 -6.527 -3.286 -15.424 1.00 0.00 C ATOM 134 O SER A 6 -6.799 -4.180 -16.225 1.00 0.00 O ATOM 135 CB SER A 6 -4.192 -2.387 -15.418 1.00 0.00 C ATOM 136 OG SER A 6 -3.311 -1.432 -15.984 1.00 0.00 O ATOM 0 H SER A 6 -5.440 -0.427 -14.601 1.00 0.00 H new ATOM 0 HA SER A 6 -5.686 -2.003 -16.914 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.110 -2.363 -14.331 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.902 -3.388 -15.738 1.00 0.00 H new ATOM 0 HG SER A 6 -3.159 -0.707 -15.343 1.00 0.00 H new ATOM 142 N SER A 7 -6.975 -3.274 -14.173 1.00 0.00 N ATOM 143 CA SER A 7 -7.829 -4.337 -13.657 1.00 0.00 C ATOM 144 C SER A 7 -9.237 -4.232 -14.234 1.00 0.00 C ATOM 145 O SER A 7 -9.768 -5.197 -14.785 1.00 0.00 O ATOM 146 CB SER A 7 -7.886 -4.278 -12.129 1.00 0.00 C ATOM 147 OG SER A 7 -6.631 -4.606 -11.559 1.00 0.00 O ATOM 0 H SER A 7 -6.761 -2.540 -13.498 1.00 0.00 H new ATOM 0 HA SER A 7 -7.401 -5.292 -13.961 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.183 -3.279 -11.811 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.647 -4.968 -11.763 1.00 0.00 H new ATOM 0 HG SER A 7 -6.135 -3.783 -11.364 1.00 0.00 H new ATOM 153 N CYS A 8 -9.836 -3.053 -14.104 1.00 0.00 N ATOM 154 CA CYS A 8 -11.183 -2.820 -14.612 1.00 0.00 C ATOM 155 C CYS A 8 -11.245 -3.056 -16.118 1.00 0.00 C ATOM 156 O CYS A 8 -12.215 -3.614 -16.631 1.00 0.00 O ATOM 157 CB CYS A 8 -11.634 -1.395 -14.287 1.00 0.00 C ATOM 158 SG CYS A 8 -12.110 -1.147 -12.561 1.00 0.00 S ATOM 0 H CYS A 8 -9.410 -2.244 -13.651 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.856 -3.526 -14.124 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.827 -0.705 -14.533 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.479 -1.138 -14.926 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.067 -1.291 -11.798 1.00 0.00 H new ATOM 164 N LYS A 9 -10.204 -2.625 -16.822 1.00 0.00 N ATOM 165 CA LYS A 9 -10.139 -2.788 -18.269 1.00 0.00 C ATOM 166 C LYS A 9 -10.003 -4.260 -18.646 1.00 0.00 C ATOM 167 O LYS A 9 -10.789 -4.783 -19.435 1.00 0.00 O ATOM 168 CB LYS A 9 -8.961 -1.994 -18.840 1.00 0.00 C ATOM 169 CG LYS A 9 -8.628 -2.350 -20.278 1.00 0.00 C ATOM 170 CD LYS A 9 -7.310 -3.099 -20.376 1.00 0.00 C ATOM 171 CE LYS A 9 -6.241 -2.261 -21.061 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.305 -2.384 -22.544 1.00 0.00 N ATOM 0 H LYS A 9 -9.393 -2.160 -16.413 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.067 -2.407 -18.694 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.189 -0.930 -18.781 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.082 -2.167 -18.219 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.427 -2.962 -20.697 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.576 -1.440 -20.876 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.972 -3.375 -19.377 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.458 -4.026 -20.930 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.362 -1.215 -20.778 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.256 -2.573 -20.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.561 -1.798 -22.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.164 -3.378 -22.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.235 -2.062 -22.879 1.00 0.00 H new ATOM 186 N ASP A 10 -9.003 -4.922 -18.075 1.00 0.00 N ATOM 187 CA ASP A 10 -8.766 -6.334 -18.349 1.00 0.00 C ATOM 188 C ASP A 10 -10.045 -7.145 -18.165 1.00 0.00 C ATOM 189 O ASP A 10 -10.410 -7.951 -19.021 1.00 0.00 O ATOM 190 CB ASP A 10 -7.667 -6.876 -17.433 1.00 0.00 C ATOM 191 CG ASP A 10 -7.555 -8.387 -17.495 1.00 0.00 C ATOM 192 OD1 ASP A 10 -6.878 -8.895 -18.412 1.00 0.00 O ATOM 193 OD2 ASP A 10 -8.146 -9.062 -16.625 1.00 0.00 O ATOM 0 H ASP A 10 -8.343 -4.503 -17.419 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.443 -6.429 -19.386 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.712 -6.432 -17.714 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.871 -6.571 -16.406 1.00 0.00 H new ATOM 198 N LYS A 11 -10.721 -6.927 -17.042 1.00 0.00 N ATOM 199 CA LYS A 11 -11.959 -7.637 -16.744 1.00 0.00 C ATOM 200 C LYS A 11 -13.067 -7.228 -17.710 1.00 0.00 C ATOM 201 O LYS A 11 -13.636 -8.067 -18.410 1.00 0.00 O ATOM 202 CB LYS A 11 -12.396 -7.360 -15.304 1.00 0.00 C ATOM 203 CG LYS A 11 -11.770 -8.299 -14.287 1.00 0.00 C ATOM 204 CD LYS A 11 -10.690 -7.603 -13.477 1.00 0.00 C ATOM 205 CE LYS A 11 -10.464 -8.293 -12.140 1.00 0.00 C ATOM 206 NZ LYS A 11 -9.746 -9.588 -12.299 1.00 0.00 N ATOM 0 H LYS A 11 -10.432 -6.264 -16.323 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.774 -8.705 -16.862 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.137 -6.333 -15.046 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.481 -7.440 -15.241 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.542 -8.678 -13.617 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.343 -9.160 -14.800 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.759 -7.592 -14.044 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.973 -6.564 -13.308 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.890 -7.637 -11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.424 -8.467 -11.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.477 -9.953 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.368 -10.274 -12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.891 -9.443 -12.873 1.00 0.00 H new ATOM 220 N LEU A 12 -13.367 -5.934 -17.745 1.00 0.00 N ATOM 221 CA LEU A 12 -14.406 -5.413 -18.627 1.00 0.00 C ATOM 222 C LEU A 12 -14.222 -5.930 -20.050 1.00 0.00 C ATOM 223 O LEU A 12 -15.189 -6.287 -20.721 1.00 0.00 O ATOM 224 CB LEU A 12 -14.387 -3.884 -18.621 1.00 0.00 C ATOM 225 CG LEU A 12 -15.270 -3.198 -19.664 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.443 -2.499 -18.994 1.00 0.00 C ATOM 227 CD2 LEU A 12 -14.456 -2.209 -20.485 1.00 0.00 C ATOM 0 H LEU A 12 -12.906 -5.227 -17.173 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.371 -5.760 -18.257 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.693 -3.541 -17.633 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.359 -3.553 -18.770 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.664 -3.960 -20.336 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.060 -2.017 -19.752 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.041 -3.231 -18.451 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.070 -1.748 -18.298 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.101 -1.730 -21.222 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.033 -1.451 -19.826 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.650 -2.736 -20.996 1.00 0.00 H new ATOM 239 N ALA A 13 -12.973 -5.968 -20.503 1.00 0.00 N ATOM 240 CA ALA A 13 -12.661 -6.446 -21.844 1.00 0.00 C ATOM 241 C ALA A 13 -12.919 -7.943 -21.968 1.00 0.00 C ATOM 242 O ALA A 13 -13.440 -8.412 -22.980 1.00 0.00 O ATOM 243 CB ALA A 13 -11.216 -6.126 -22.196 1.00 0.00 C ATOM 0 H ALA A 13 -12.161 -5.673 -19.961 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.317 -5.932 -22.547 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.997 -6.489 -23.200 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.063 -5.047 -22.158 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.551 -6.612 -21.482 1.00 0.00 H new ATOM 249 N TYR A 14 -12.551 -8.690 -20.932 1.00 0.00 N ATOM 250 CA TYR A 14 -12.739 -10.135 -20.927 1.00 0.00 C ATOM 251 C TYR A 14 -14.200 -10.493 -20.666 1.00 0.00 C ATOM 252 O TYR A 14 -14.613 -11.638 -20.851 1.00 0.00 O ATOM 253 CB TYR A 14 -11.847 -10.783 -19.867 1.00 0.00 C ATOM 254 CG TYR A 14 -11.906 -12.294 -19.867 1.00 0.00 C ATOM 255 CD1 TYR A 14 -11.758 -13.015 -21.046 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.110 -13.001 -18.689 1.00 0.00 C ATOM 257 CE1 TYR A 14 -11.812 -14.395 -21.051 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.164 -14.382 -18.684 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.014 -15.074 -19.868 1.00 0.00 C ATOM 260 OH TYR A 14 -12.069 -16.449 -19.867 1.00 0.00 O ATOM 0 H TYR A 14 -12.121 -8.318 -20.085 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.460 -10.516 -21.909 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.816 -10.468 -20.030 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.141 -10.416 -18.883 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.598 -12.487 -21.974 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.229 -12.462 -17.761 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.697 -14.939 -21.977 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.323 -14.916 -17.759 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.216 -16.770 -18.953 1.00 0.00 H new ATOM 270 N PHE A 15 -14.976 -9.505 -20.236 1.00 0.00 N ATOM 271 CA PHE A 15 -16.391 -9.713 -19.949 1.00 0.00 C ATOM 272 C PHE A 15 -17.256 -9.257 -21.120 1.00 0.00 C ATOM 273 O PHE A 15 -17.048 -8.179 -21.677 1.00 0.00 O ATOM 274 CB PHE A 15 -16.792 -8.959 -18.679 1.00 0.00 C ATOM 275 CG PHE A 15 -16.418 -9.676 -17.413 1.00 0.00 C ATOM 276 CD1 PHE A 15 -16.924 -10.937 -17.140 1.00 0.00 C ATOM 277 CD2 PHE A 15 -15.561 -9.089 -16.496 1.00 0.00 C ATOM 278 CE1 PHE A 15 -16.583 -11.598 -15.976 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.216 -9.746 -15.330 1.00 0.00 C ATOM 280 CZ PHE A 15 -15.727 -11.002 -15.070 1.00 0.00 C ATOM 0 H PHE A 15 -14.650 -8.552 -20.078 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.552 -10.780 -19.795 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.319 -7.977 -18.684 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -17.869 -8.794 -18.689 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.592 -11.408 -17.845 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.158 -8.107 -16.695 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -16.985 -12.580 -15.774 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.547 -9.277 -14.623 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.458 -11.518 -14.160 1.00 0.00 H new ATOM 290 N ARG A 16 -18.228 -10.086 -21.487 1.00 0.00 N ATOM 291 CA ARG A 16 -19.125 -9.769 -22.592 1.00 0.00 C ATOM 292 C ARG A 16 -19.782 -8.407 -22.387 1.00 0.00 C ATOM 293 O ARG A 16 -19.579 -7.758 -21.360 1.00 0.00 O ATOM 294 CB ARG A 16 -20.199 -10.850 -22.731 1.00 0.00 C ATOM 295 CG ARG A 16 -19.646 -12.265 -22.707 1.00 0.00 C ATOM 296 CD ARG A 16 -20.290 -13.133 -23.776 1.00 0.00 C ATOM 297 NE ARG A 16 -19.352 -13.478 -24.841 1.00 0.00 N ATOM 298 CZ ARG A 16 -19.714 -14.055 -25.982 1.00 0.00 C ATOM 299 NH1 ARG A 16 -20.988 -14.349 -26.205 1.00 0.00 N ATOM 300 NH2 ARG A 16 -18.802 -14.338 -26.903 1.00 0.00 N ATOM 0 H ARG A 16 -18.414 -10.982 -21.036 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.534 -9.733 -23.507 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.922 -10.738 -21.923 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.739 -10.696 -23.665 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -18.567 -12.238 -22.860 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.818 -12.707 -21.726 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.672 -14.046 -23.320 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.145 -12.608 -24.202 1.00 0.00 H new ATOM 0 HE ARG A 16 -18.364 -13.264 -24.701 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -21.692 -14.132 -25.500 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -21.263 -14.792 -27.082 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.821 -14.113 -26.736 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.081 -14.781 -27.778 1.00 0.00 H new ATOM 314 N ILE A 17 -20.568 -7.981 -23.370 1.00 0.00 N ATOM 315 CA ILE A 17 -21.254 -6.698 -23.296 1.00 0.00 C ATOM 316 C ILE A 17 -22.027 -6.562 -21.988 1.00 0.00 C ATOM 317 O ILE A 17 -22.285 -5.453 -21.519 1.00 0.00 O ATOM 318 CB ILE A 17 -22.227 -6.511 -24.475 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.539 -6.869 -25.794 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.745 -5.081 -24.513 1.00 0.00 C ATOM 321 CD1 ILE A 17 -22.129 -6.163 -26.995 1.00 0.00 C ATOM 0 H ILE A 17 -20.745 -8.506 -24.227 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.485 -5.927 -23.343 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.076 -7.181 -24.336 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.480 -6.621 -25.721 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.604 -7.946 -25.948 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.431 -4.965 -25.352 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.268 -4.859 -23.583 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.907 -4.394 -24.632 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.592 -6.465 -27.894 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.181 -6.430 -27.094 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.039 -5.085 -26.863 1.00 0.00 H new ATOM 333 N LYS A 18 -22.391 -7.697 -21.402 1.00 0.00 N ATOM 334 CA LYS A 18 -23.131 -7.706 -20.145 1.00 0.00 C ATOM 335 C LYS A 18 -22.492 -6.765 -19.130 1.00 0.00 C ATOM 336 O LYS A 18 -23.173 -5.943 -18.518 1.00 0.00 O ATOM 337 CB LYS A 18 -23.190 -9.125 -19.575 1.00 0.00 C ATOM 338 CG LYS A 18 -24.006 -9.235 -18.299 1.00 0.00 C ATOM 339 CD LYS A 18 -25.432 -8.750 -18.505 1.00 0.00 C ATOM 340 CE LYS A 18 -26.163 -9.594 -19.538 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.452 -10.121 -19.010 1.00 0.00 N ATOM 0 H LYS A 18 -22.186 -8.623 -21.777 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.145 -7.359 -20.346 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.614 -9.792 -20.326 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.175 -9.471 -19.378 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.018 -10.272 -17.962 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.532 -8.650 -17.511 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.970 -8.785 -17.558 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.421 -7.709 -18.826 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.353 -8.995 -20.428 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.528 -10.426 -19.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.920 -10.691 -19.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.269 -10.714 -18.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -28.068 -9.327 -18.743 1.00 0.00 H new ATOM 355 N GLU A 19 -21.179 -6.891 -18.958 1.00 0.00 N ATOM 356 CA GLU A 19 -20.449 -6.050 -18.016 1.00 0.00 C ATOM 357 C GLU A 19 -20.689 -4.572 -18.308 1.00 0.00 C ATOM 358 O GLU A 19 -21.142 -3.822 -17.442 1.00 0.00 O ATOM 359 CB GLU A 19 -18.951 -6.357 -18.080 1.00 0.00 C ATOM 360 CG GLU A 19 -18.397 -6.950 -16.795 1.00 0.00 C ATOM 361 CD GLU A 19 -18.603 -6.042 -15.598 1.00 0.00 C ATOM 362 OE1 GLU A 19 -18.506 -4.809 -15.766 1.00 0.00 O ATOM 363 OE2 GLU A 19 -18.861 -6.566 -14.494 1.00 0.00 O ATOM 0 H GLU A 19 -20.600 -7.566 -19.458 1.00 0.00 H new ATOM 0 HA GLU A 19 -20.815 -6.269 -17.013 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.765 -7.050 -18.900 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.410 -5.439 -18.310 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.877 -7.910 -16.605 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.332 -7.146 -16.919 1.00 0.00 H new ATOM 370 N LEU A 20 -20.381 -4.159 -19.533 1.00 0.00 N ATOM 371 CA LEU A 20 -20.562 -2.770 -19.940 1.00 0.00 C ATOM 372 C LEU A 20 -22.023 -2.350 -19.809 1.00 0.00 C ATOM 373 O LEU A 20 -22.324 -1.192 -19.518 1.00 0.00 O ATOM 374 CB LEU A 20 -20.092 -2.575 -21.383 1.00 0.00 C ATOM 375 CG LEU A 20 -18.719 -3.156 -21.725 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.799 -4.011 -22.980 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.698 -2.041 -21.901 1.00 0.00 C ATOM 0 H LEU A 20 -20.005 -4.766 -20.261 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.962 -2.143 -19.281 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.830 -3.023 -22.048 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.076 -1.506 -21.598 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.397 -3.790 -20.899 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.813 -4.416 -23.208 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -19.499 -4.831 -22.818 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.142 -3.400 -23.815 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.727 -2.472 -22.144 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.015 -1.382 -22.709 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.620 -1.470 -20.976 1.00 0.00 H new ATOM 389 N LYS A 21 -22.928 -3.299 -20.022 1.00 0.00 N ATOM 390 CA LYS A 21 -24.357 -3.030 -19.925 1.00 0.00 C ATOM 391 C LYS A 21 -24.732 -2.583 -18.515 1.00 0.00 C ATOM 392 O LYS A 21 -25.440 -1.592 -18.336 1.00 0.00 O ATOM 393 CB LYS A 21 -25.159 -4.277 -20.305 1.00 0.00 C ATOM 394 CG LYS A 21 -26.567 -3.972 -20.785 1.00 0.00 C ATOM 395 CD LYS A 21 -27.563 -3.986 -19.637 1.00 0.00 C ATOM 396 CE LYS A 21 -28.601 -5.084 -19.813 1.00 0.00 C ATOM 397 NZ LYS A 21 -29.651 -4.701 -20.797 1.00 0.00 N ATOM 0 H LYS A 21 -22.696 -4.263 -20.263 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.597 -2.225 -20.619 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.626 -4.817 -21.088 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.214 -4.940 -19.442 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.584 -2.996 -21.270 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.864 -4.706 -21.534 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.033 -4.132 -18.696 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -28.062 -3.019 -19.575 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.110 -5.999 -20.144 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -29.066 -5.302 -18.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -30.339 -5.475 -20.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -30.137 -3.842 -20.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -29.210 -4.518 -21.721 1.00 0.00 H new ATOM 411 N ASP A 22 -24.251 -3.318 -17.519 1.00 0.00 N ATOM 412 CA ASP A 22 -24.533 -2.995 -16.125 1.00 0.00 C ATOM 413 C ASP A 22 -23.923 -1.650 -15.744 1.00 0.00 C ATOM 414 O ASP A 22 -24.537 -0.859 -15.028 1.00 0.00 O ATOM 415 CB ASP A 22 -23.994 -4.093 -15.206 1.00 0.00 C ATOM 416 CG ASP A 22 -24.792 -5.378 -15.308 1.00 0.00 C ATOM 417 OD1 ASP A 22 -24.964 -5.880 -16.438 1.00 0.00 O ATOM 418 OD2 ASP A 22 -25.245 -5.880 -14.258 1.00 0.00 O ATOM 0 H ASP A 22 -23.664 -4.142 -17.651 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.614 -2.929 -16.005 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -22.953 -4.295 -15.458 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -24.010 -3.740 -14.175 1.00 0.00 H new ATOM 423 N ILE A 23 -22.711 -1.399 -16.227 1.00 0.00 N ATOM 424 CA ILE A 23 -22.018 -0.149 -15.937 1.00 0.00 C ATOM 425 C ILE A 23 -22.739 1.038 -16.567 1.00 0.00 C ATOM 426 O ILE A 23 -23.127 1.980 -15.875 1.00 0.00 O ATOM 427 CB ILE A 23 -20.564 -0.181 -16.445 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.795 -1.326 -15.784 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.879 1.150 -16.174 1.00 0.00 C ATOM 430 CD1 ILE A 23 -19.858 -1.304 -14.273 1.00 0.00 C ATOM 0 H ILE A 23 -22.189 -2.044 -16.820 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.013 -0.034 -14.853 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.575 -0.349 -17.522 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.194 -2.275 -16.142 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.752 -1.280 -16.097 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.852 1.112 -16.539 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.417 1.947 -16.687 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.876 1.346 -15.102 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.291 -2.144 -13.873 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -19.432 -0.371 -13.905 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -20.896 -1.381 -13.951 1.00 0.00 H new ATOM 442 N LEU A 24 -22.916 0.986 -17.882 1.00 0.00 N ATOM 443 CA LEU A 24 -23.593 2.056 -18.606 1.00 0.00 C ATOM 444 C LEU A 24 -25.023 2.232 -18.106 1.00 0.00 C ATOM 445 O LEU A 24 -25.594 3.318 -18.199 1.00 0.00 O ATOM 446 CB LEU A 24 -23.598 1.760 -20.107 1.00 0.00 C ATOM 447 CG LEU A 24 -24.974 1.651 -20.764 1.00 0.00 C ATOM 448 CD1 LEU A 24 -24.870 1.892 -22.262 1.00 0.00 C ATOM 449 CD2 LEU A 24 -25.594 0.290 -20.483 1.00 0.00 C ATOM 0 H LEU A 24 -22.600 0.214 -18.469 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.048 2.983 -18.427 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -23.037 2.545 -20.614 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -23.062 0.826 -20.275 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.621 2.417 -20.337 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -25.859 1.810 -22.713 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -24.470 2.889 -22.443 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -24.207 1.149 -22.705 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.573 0.231 -20.959 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.949 -0.493 -20.882 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.705 0.156 -19.407 1.00 0.00 H new ATOM 461 N ASN A 25 -25.595 1.157 -17.573 1.00 0.00 N ATOM 462 CA ASN A 25 -26.958 1.194 -17.056 1.00 0.00 C ATOM 463 C ASN A 25 -27.024 1.983 -15.752 1.00 0.00 C ATOM 464 O ASN A 25 -27.929 2.793 -15.552 1.00 0.00 O ATOM 465 CB ASN A 25 -27.479 -0.227 -16.832 1.00 0.00 C ATOM 466 CG ASN A 25 -28.484 -0.303 -15.699 1.00 0.00 C ATOM 467 OD1 ASN A 25 -28.005 -0.625 -14.504 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.677 -0.074 -15.897 1.00 0.00 N flip ATOM 0 H ASN A 25 -25.136 0.250 -17.488 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.587 1.693 -17.794 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.942 -0.590 -17.750 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.640 -0.888 -16.615 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -30.001 0.170 -16.833 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.342 -0.128 -15.125 1.00 0.00 H new ATOM 475 N GLN A 26 -26.060 1.741 -14.870 1.00 0.00 N ATOM 476 CA GLN A 26 -26.010 2.429 -13.586 1.00 0.00 C ATOM 477 C GLN A 26 -25.496 3.856 -13.753 1.00 0.00 C ATOM 478 O GLN A 26 -25.787 4.731 -12.936 1.00 0.00 O ATOM 479 CB GLN A 26 -25.117 1.664 -12.608 1.00 0.00 C ATOM 480 CG GLN A 26 -25.782 0.433 -12.013 1.00 0.00 C ATOM 481 CD GLN A 26 -24.779 -0.590 -11.518 1.00 0.00 C ATOM 482 OE1 GLN A 26 -24.850 -1.045 -10.376 1.00 0.00 O ATOM 483 NE2 GLN A 26 -23.837 -0.960 -12.378 1.00 0.00 N ATOM 0 H GLN A 26 -25.303 1.074 -15.021 1.00 0.00 H new ATOM 0 HA GLN A 26 -27.023 2.471 -13.185 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.205 1.361 -13.122 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.820 2.333 -11.800 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.425 0.736 -11.186 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -26.424 -0.027 -12.764 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.815 -0.557 -13.315 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.135 -1.647 -12.102 1.00 0.00 H new ATOM 492 N LEU A 27 -24.730 4.083 -14.814 1.00 0.00 N ATOM 493 CA LEU A 27 -24.174 5.404 -15.088 1.00 0.00 C ATOM 494 C LEU A 27 -25.276 6.393 -15.454 1.00 0.00 C ATOM 495 O LEU A 27 -25.049 7.601 -15.503 1.00 0.00 O ATOM 496 CB LEU A 27 -23.149 5.322 -16.221 1.00 0.00 C ATOM 497 CG LEU A 27 -21.809 4.677 -15.868 1.00 0.00 C ATOM 498 CD1 LEU A 27 -21.134 4.130 -17.116 1.00 0.00 C ATOM 499 CD2 LEU A 27 -20.903 5.679 -15.166 1.00 0.00 C ATOM 0 H LEU A 27 -24.479 3.370 -15.499 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.679 5.758 -14.184 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -23.592 4.763 -17.045 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.959 6.331 -16.586 1.00 0.00 H new ATOM 0 HG LEU A 27 -21.996 3.847 -15.187 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -20.182 3.675 -16.845 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.776 3.380 -17.578 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -20.960 4.943 -17.821 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.954 5.202 -14.922 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -20.724 6.530 -15.823 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -21.382 6.023 -14.249 1.00 0.00 H new ATOM 619 N LYS A 35 -19.580 -2.093 -28.731 1.00 0.00 N ATOM 620 CA LYS A 35 -18.687 -2.693 -27.747 1.00 0.00 C ATOM 621 C LYS A 35 -17.455 -1.820 -27.528 1.00 0.00 C ATOM 622 O LYS A 35 -17.000 -1.648 -26.397 1.00 0.00 O ATOM 623 CB LYS A 35 -18.261 -4.091 -28.200 1.00 0.00 C ATOM 624 CG LYS A 35 -17.191 -4.715 -27.321 1.00 0.00 C ATOM 625 CD LYS A 35 -17.674 -6.011 -26.690 1.00 0.00 C ATOM 626 CE LYS A 35 -17.538 -5.977 -25.175 1.00 0.00 C ATOM 627 NZ LYS A 35 -16.883 -7.207 -24.650 1.00 0.00 N ATOM 0 HA LYS A 35 -19.227 -2.773 -26.803 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.135 -4.742 -28.212 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.891 -4.035 -29.224 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.298 -4.909 -27.915 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.906 -4.012 -26.538 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.716 -6.182 -26.959 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.100 -6.847 -27.089 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.957 -5.103 -24.882 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.525 -5.870 -24.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.076 -7.295 -23.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.259 -8.040 -25.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.856 -7.146 -24.804 1.00 0.00 H new ATOM 641 N GLN A 36 -16.922 -1.273 -28.615 1.00 0.00 N ATOM 642 CA GLN A 36 -15.743 -0.418 -28.539 1.00 0.00 C ATOM 643 C GLN A 36 -16.037 0.845 -27.736 1.00 0.00 C ATOM 644 O GLN A 36 -15.344 1.150 -26.765 1.00 0.00 O ATOM 645 CB GLN A 36 -15.268 -0.044 -29.944 1.00 0.00 C ATOM 646 CG GLN A 36 -13.890 -0.588 -30.285 1.00 0.00 C ATOM 647 CD GLN A 36 -12.817 -0.099 -29.333 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.617 -0.827 -28.241 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -12.174 0.923 -29.576 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.287 -1.406 -29.558 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.954 -0.973 -28.032 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.987 -0.417 -30.673 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.254 1.042 -30.037 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.919 -1.677 -30.265 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.629 -0.294 -31.302 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.361 1.452 -30.428 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.455 1.240 -28.926 1.00 0.00 H new ATOM 658 N ASP A 37 -17.068 1.575 -28.148 1.00 0.00 N ATOM 659 CA ASP A 37 -17.454 2.805 -27.466 1.00 0.00 C ATOM 660 C ASP A 37 -17.619 2.568 -25.968 1.00 0.00 C ATOM 661 O ASP A 37 -17.086 3.316 -25.147 1.00 0.00 O ATOM 662 CB ASP A 37 -18.755 3.353 -28.054 1.00 0.00 C ATOM 663 CG ASP A 37 -18.558 4.679 -28.761 1.00 0.00 C ATOM 664 OD1 ASP A 37 -17.850 5.546 -28.208 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.113 4.851 -29.867 1.00 0.00 O ATOM 0 H ASP A 37 -17.651 1.337 -28.950 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.660 3.537 -27.614 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.167 2.628 -28.756 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.488 3.475 -27.256 1.00 0.00 H new ATOM 670 N LEU A 38 -18.360 1.522 -25.618 1.00 0.00 N ATOM 671 CA LEU A 38 -18.596 1.186 -24.218 1.00 0.00 C ATOM 672 C LEU A 38 -17.279 1.011 -23.470 1.00 0.00 C ATOM 673 O LEU A 38 -17.061 1.623 -22.424 1.00 0.00 O ATOM 674 CB LEU A 38 -19.429 -0.093 -24.114 1.00 0.00 C ATOM 675 CG LEU A 38 -20.912 0.042 -24.461 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.644 -1.264 -24.193 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.543 1.180 -23.673 1.00 0.00 C ATOM 0 H LEU A 38 -18.807 0.892 -26.284 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.145 2.009 -23.760 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.990 -0.843 -24.771 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.348 -0.474 -23.096 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.997 0.271 -25.523 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.698 -1.149 -24.446 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -21.209 -2.056 -24.802 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.550 -1.524 -23.139 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.598 1.261 -23.933 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.446 0.981 -22.606 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.037 2.115 -23.915 1.00 0.00 H new ATOM 689 N ILE A 39 -16.402 0.174 -24.015 1.00 0.00 N ATOM 690 CA ILE A 39 -15.105 -0.079 -23.401 1.00 0.00 C ATOM 691 C ILE A 39 -14.380 1.226 -23.091 1.00 0.00 C ATOM 692 O ILE A 39 -13.980 1.471 -21.953 1.00 0.00 O ATOM 693 CB ILE A 39 -14.212 -0.946 -24.308 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.437 -2.431 -24.013 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.748 -0.579 -24.117 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.560 -3.282 -25.257 1.00 0.00 C ATOM 0 H ILE A 39 -16.567 -0.340 -24.880 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.295 -0.616 -22.472 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.482 -0.756 -25.347 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.609 -2.803 -23.409 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.342 -2.541 -23.416 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.130 -1.200 -24.765 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.600 0.470 -24.372 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.464 -0.744 -23.078 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.718 -4.322 -24.972 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.405 -2.936 -25.852 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.646 -3.202 -25.845 1.00 0.00 H new ATOM 708 N ASP A 40 -14.216 2.062 -24.111 1.00 0.00 N ATOM 709 CA ASP A 40 -13.541 3.345 -23.947 1.00 0.00 C ATOM 710 C ASP A 40 -14.291 4.230 -22.956 1.00 0.00 C ATOM 711 O ASP A 40 -13.699 5.097 -22.313 1.00 0.00 O ATOM 712 CB ASP A 40 -13.419 4.056 -25.295 1.00 0.00 C ATOM 713 CG ASP A 40 -12.109 4.806 -25.438 1.00 0.00 C ATOM 714 OD1 ASP A 40 -12.049 5.981 -25.019 1.00 0.00 O ATOM 715 OD2 ASP A 40 -11.144 4.217 -25.968 1.00 0.00 O ATOM 0 H ASP A 40 -14.541 1.874 -25.059 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.542 3.156 -23.553 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.504 3.324 -26.098 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.248 4.754 -25.411 1.00 0.00 H new ATOM 720 N ARG A 41 -15.595 4.006 -22.840 1.00 0.00 N ATOM 721 CA ARG A 41 -16.426 4.785 -21.929 1.00 0.00 C ATOM 722 C ARG A 41 -16.062 4.493 -20.476 1.00 0.00 C ATOM 723 O ARG A 41 -15.841 5.409 -19.684 1.00 0.00 O ATOM 724 CB ARG A 41 -17.906 4.479 -22.167 1.00 0.00 C ATOM 725 CG ARG A 41 -18.771 5.721 -22.302 1.00 0.00 C ATOM 726 CD ARG A 41 -18.629 6.633 -21.094 1.00 0.00 C ATOM 727 NE ARG A 41 -17.855 7.833 -21.400 1.00 0.00 N ATOM 728 CZ ARG A 41 -17.760 8.875 -20.583 1.00 0.00 C ATOM 729 NH1 ARG A 41 -18.388 8.865 -19.415 1.00 0.00 N ATOM 730 NH2 ARG A 41 -17.036 9.931 -20.933 1.00 0.00 N ATOM 0 H ARG A 41 -16.100 3.292 -23.365 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.244 5.842 -22.125 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.003 3.879 -23.072 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.280 3.874 -21.341 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -18.491 6.264 -23.204 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.815 5.428 -22.417 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.619 6.921 -20.739 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.146 6.088 -20.283 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.360 7.873 -22.291 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.946 8.055 -19.143 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.313 9.667 -18.789 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.552 9.943 -21.831 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.964 10.731 -20.304 1.00 0.00 H new ATOM 744 N VAL A 42 -16.002 3.210 -20.133 1.00 0.00 N ATOM 745 CA VAL A 42 -15.664 2.796 -18.776 1.00 0.00 C ATOM 746 C VAL A 42 -14.277 3.290 -18.381 1.00 0.00 C ATOM 747 O VAL A 42 -14.112 3.955 -17.357 1.00 0.00 O ATOM 748 CB VAL A 42 -15.713 1.264 -18.628 1.00 0.00 C ATOM 749 CG1 VAL A 42 -14.995 0.827 -17.360 1.00 0.00 C ATOM 750 CG2 VAL A 42 -17.153 0.775 -18.631 1.00 0.00 C ATOM 0 H VAL A 42 -16.183 2.439 -20.776 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.407 3.241 -18.114 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.200 0.817 -19.480 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.040 -0.259 -17.272 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.953 1.145 -17.404 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.477 1.281 -16.494 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.169 -0.310 -18.526 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.693 1.228 -17.800 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.631 1.055 -19.570 1.00 0.00 H new ATOM 760 N LEU A 43 -13.283 2.962 -19.198 1.00 0.00 N ATOM 761 CA LEU A 43 -11.908 3.372 -18.934 1.00 0.00 C ATOM 762 C LEU A 43 -11.806 4.890 -18.819 1.00 0.00 C ATOM 763 O LEU A 43 -11.076 5.411 -17.977 1.00 0.00 O ATOM 764 CB LEU A 43 -10.983 2.870 -20.043 1.00 0.00 C ATOM 765 CG LEU A 43 -11.150 1.403 -20.443 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.969 0.941 -21.282 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.304 0.528 -19.208 1.00 0.00 C ATOM 0 H LEU A 43 -13.403 2.413 -20.049 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.599 2.932 -17.986 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.141 3.487 -20.927 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.952 3.024 -19.726 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.055 1.311 -21.044 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.105 -0.105 -21.557 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.904 1.548 -22.185 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.050 1.048 -20.706 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.422 -0.512 -19.511 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.418 0.625 -18.581 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.183 0.844 -18.646 1.00 0.00 H new ATOM 779 N ALA A 44 -12.544 5.594 -19.672 1.00 0.00 N ATOM 780 CA ALA A 44 -12.539 7.051 -19.664 1.00 0.00 C ATOM 781 C ALA A 44 -13.217 7.595 -18.411 1.00 0.00 C ATOM 782 O ALA A 44 -12.939 8.715 -17.978 1.00 0.00 O ATOM 783 CB ALA A 44 -13.224 7.588 -20.912 1.00 0.00 C ATOM 0 H ALA A 44 -13.153 5.178 -20.377 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.502 7.386 -19.659 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.213 8.678 -20.893 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.695 7.235 -21.798 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.255 7.236 -20.941 1.00 0.00 H new ATOM 789 N LEU A 45 -14.108 6.797 -17.832 1.00 0.00 N ATOM 790 CA LEU A 45 -14.826 7.199 -16.628 1.00 0.00 C ATOM 791 C LEU A 45 -13.942 7.058 -15.393 1.00 0.00 C ATOM 792 O LEU A 45 -13.896 7.949 -14.544 1.00 0.00 O ATOM 793 CB LEU A 45 -16.093 6.358 -16.461 1.00 0.00 C ATOM 794 CG LEU A 45 -16.254 5.647 -15.117 1.00 0.00 C ATOM 795 CD1 LEU A 45 -16.655 6.637 -14.034 1.00 0.00 C ATOM 796 CD2 LEU A 45 -17.280 4.528 -15.225 1.00 0.00 C ATOM 0 H LEU A 45 -14.350 5.868 -18.177 1.00 0.00 H new ATOM 0 HA LEU A 45 -15.104 8.247 -16.735 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.957 7.005 -16.613 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.114 5.608 -17.251 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.295 5.208 -14.843 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.765 6.113 -13.085 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.886 7.403 -13.939 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.602 7.105 -14.302 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.382 4.033 -14.259 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.242 4.944 -15.522 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.952 3.804 -15.971 1.00 0.00 H new ATOM 808 N LEU A 46 -13.240 5.935 -15.300 1.00 0.00 N ATOM 809 CA LEU A 46 -12.354 5.677 -14.170 1.00 0.00 C ATOM 810 C LEU A 46 -11.024 6.403 -14.345 1.00 0.00 C ATOM 811 O LEU A 46 -10.225 6.493 -13.411 1.00 0.00 O ATOM 812 CB LEU A 46 -12.112 4.174 -14.018 1.00 0.00 C ATOM 813 CG LEU A 46 -13.319 3.271 -14.273 1.00 0.00 C ATOM 814 CD1 LEU A 46 -12.887 1.816 -14.369 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.360 3.450 -13.177 1.00 0.00 C ATOM 0 H LEU A 46 -13.267 5.188 -15.994 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.837 6.053 -13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.315 3.884 -14.703 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.749 3.985 -13.008 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.769 3.558 -15.224 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.760 1.189 -14.551 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.179 1.700 -15.190 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.412 1.515 -13.435 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.212 2.800 -13.375 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.922 3.191 -12.213 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.693 4.488 -13.157 1.00 0.00 H new ATOM 827 N THR A 47 -10.791 6.922 -15.546 1.00 0.00 N ATOM 828 CA THR A 47 -9.559 7.641 -15.843 1.00 0.00 C ATOM 829 C THR A 47 -9.808 9.141 -15.945 1.00 0.00 C ATOM 830 O THR A 47 -9.314 9.919 -15.128 1.00 0.00 O ATOM 831 CB THR A 47 -8.923 7.147 -17.157 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.667 5.741 -17.079 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.627 7.890 -17.443 1.00 0.00 C ATOM 0 H THR A 47 -11.441 6.858 -16.330 1.00 0.00 H new ATOM 0 HA THR A 47 -8.873 7.445 -15.019 1.00 0.00 H new ATOM 0 HB THR A 47 -9.622 7.343 -17.970 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.414 5.250 -17.480 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.196 7.525 -18.375 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.831 8.957 -17.531 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.924 7.722 -16.628 1.00 0.00 H new ATOM 841 N ASP A 48 -10.578 9.541 -16.951 1.00 0.00 N ATOM 842 CA ASP A 48 -10.895 10.950 -17.158 1.00 0.00 C ATOM 843 C ASP A 48 -11.899 11.439 -16.120 1.00 0.00 C ATOM 844 O ASP A 48 -12.135 12.640 -15.989 1.00 0.00 O ATOM 845 CB ASP A 48 -11.451 11.168 -18.566 1.00 0.00 C ATOM 846 CG ASP A 48 -10.498 11.948 -19.451 1.00 0.00 C ATOM 847 OD1 ASP A 48 -10.093 13.060 -19.051 1.00 0.00 O ATOM 848 OD2 ASP A 48 -10.156 11.447 -20.542 1.00 0.00 O ATOM 0 H ASP A 48 -10.994 8.910 -17.636 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.975 11.524 -17.046 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.659 10.201 -19.025 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.400 11.701 -18.500 1.00 0.00 H new ATOM 853 N GLU A 49 -12.489 10.501 -15.386 1.00 0.00 N ATOM 854 CA GLU A 49 -13.470 10.837 -14.361 1.00 0.00 C ATOM 855 C GLU A 49 -13.154 10.123 -13.050 1.00 0.00 C ATOM 856 O GLU A 49 -14.039 9.904 -12.223 1.00 0.00 O ATOM 857 CB GLU A 49 -14.879 10.467 -14.830 1.00 0.00 C ATOM 858 CG GLU A 49 -15.759 11.670 -15.124 1.00 0.00 C ATOM 859 CD GLU A 49 -16.993 11.308 -15.927 1.00 0.00 C ATOM 860 OE1 GLU A 49 -17.635 10.288 -15.600 1.00 0.00 O ATOM 861 OE2 GLU A 49 -17.316 12.043 -16.884 1.00 0.00 O ATOM 0 H GLU A 49 -12.305 9.502 -15.482 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.423 11.912 -14.189 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.804 9.854 -15.728 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.358 9.855 -14.066 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.064 12.131 -14.184 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.180 12.414 -15.671 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.452 4.969 -10.492 1.00 0.00 N ATOM 1077 CA LEU A 63 -20.812 5.499 -11.691 1.00 0.00 C ATOM 1078 C LEU A 63 -19.361 5.876 -11.413 1.00 0.00 C ATOM 1079 O LEU A 63 -18.820 6.801 -12.021 1.00 0.00 O ATOM 1080 CB LEU A 63 -21.579 6.720 -12.205 1.00 0.00 C ATOM 1081 CG LEU A 63 -22.084 7.692 -11.139 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -21.636 9.111 -11.455 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -23.600 7.622 -11.028 1.00 0.00 C ATOM 0 HA LEU A 63 -20.826 4.721 -12.454 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -20.933 7.268 -12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -22.434 6.370 -12.783 1.00 0.00 H new ATOM 0 HG LEU A 63 -21.656 7.403 -10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -22.005 9.789 -10.685 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -20.547 9.151 -11.482 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -22.035 9.411 -12.424 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -23.942 8.321 -10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -24.048 7.885 -11.987 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -23.898 6.610 -10.754 1.00 0.00 H new ATOM 1095 N THR A 64 -18.733 5.153 -10.491 1.00 0.00 N ATOM 1096 CA THR A 64 -17.344 5.410 -10.132 1.00 0.00 C ATOM 1097 C THR A 64 -16.547 4.113 -10.054 1.00 0.00 C ATOM 1098 O THR A 64 -17.079 3.030 -10.297 1.00 0.00 O ATOM 1099 CB THR A 64 -17.239 6.146 -8.783 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.523 6.651 -8.399 1.00 0.00 O ATOM 1101 CG2 THR A 64 -16.243 7.293 -8.868 1.00 0.00 C ATOM 0 H THR A 64 -19.165 4.384 -9.979 1.00 0.00 H new ATOM 0 HA THR A 64 -16.927 6.043 -10.916 1.00 0.00 H new ATOM 0 HB THR A 64 -16.889 5.436 -8.034 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.448 7.116 -7.540 1.00 0.00 H new ATOM 0 HG21 THR A 64 -16.186 7.798 -7.904 1.00 0.00 H new ATOM 0 HG22 THR A 64 -15.260 6.903 -9.132 1.00 0.00 H new ATOM 0 HG23 THR A 64 -16.568 8.002 -9.630 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.268 4.230 -9.712 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.397 3.067 -9.600 1.00 0.00 C ATOM 1111 C LYS A 65 -15.033 1.994 -8.721 1.00 0.00 C ATOM 1112 O LYS A 65 -14.884 0.800 -8.980 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.039 3.474 -9.023 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.141 4.290 -7.746 1.00 0.00 C ATOM 1115 CD LYS A 65 -11.789 4.840 -7.326 1.00 0.00 C ATOM 1116 CE LYS A 65 -10.979 3.805 -6.560 1.00 0.00 C ATOM 1117 NZ LYS A 65 -10.662 4.260 -5.178 1.00 0.00 N ATOM 0 H LYS A 65 -14.812 5.119 -9.508 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.252 2.656 -10.599 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.454 2.576 -8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.494 4.051 -9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.840 5.113 -7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.546 3.668 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.234 5.157 -8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.932 5.724 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.536 2.869 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.052 3.600 -7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.109 3.527 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.109 5.140 -5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.546 4.432 -4.658 1.00 0.00 H new ATOM 1131 N GLU A 66 -15.742 2.428 -7.684 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.400 1.503 -6.769 1.00 0.00 C ATOM 1133 C GLU A 66 -17.464 0.685 -7.495 1.00 0.00 C ATOM 1134 O GLU A 66 -17.556 -0.530 -7.318 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.035 2.267 -5.605 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.410 1.951 -4.257 1.00 0.00 C ATOM 1137 CD GLU A 66 -17.258 2.430 -3.094 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -17.256 3.649 -2.821 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -17.923 1.586 -2.458 1.00 0.00 O ATOM 0 H GLU A 66 -15.875 3.413 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.645 0.821 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.949 3.337 -5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.099 2.034 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.260 0.875 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.425 2.415 -4.199 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.267 1.360 -8.311 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.324 0.696 -9.064 1.00 0.00 C ATOM 1148 C ALA A 67 -18.744 -0.303 -10.060 1.00 0.00 C ATOM 1149 O ALA A 67 -19.121 -1.475 -10.070 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.183 1.724 -9.786 1.00 0.00 C ATOM 0 H ALA A 67 -18.206 2.366 -8.467 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.948 0.147 -8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -20.968 1.214 -10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -20.634 2.397 -9.057 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -19.562 2.298 -10.474 1.00 0.00 H new ATOM 1156 N VAL A 68 -17.824 0.168 -10.897 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.192 -0.685 -11.896 1.00 0.00 C ATOM 1158 C VAL A 68 -16.577 -1.923 -11.252 1.00 0.00 C ATOM 1159 O VAL A 68 -16.710 -3.033 -11.766 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.098 0.074 -12.670 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.409 -0.848 -13.665 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -16.689 1.286 -13.376 1.00 0.00 C ATOM 0 H VAL A 68 -17.500 1.135 -10.903 1.00 0.00 H new ATOM 0 HA VAL A 68 -17.974 -0.991 -12.591 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.351 0.424 -11.958 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.639 -0.294 -14.202 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.951 -1.681 -13.132 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.142 -1.231 -14.375 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.902 1.811 -13.918 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.457 0.960 -14.077 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.131 1.956 -12.639 1.00 0.00 H new ATOM 1172 N ALA A 69 -15.904 -1.724 -10.124 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.270 -2.824 -9.408 1.00 0.00 C ATOM 1174 C ALA A 69 -16.313 -3.744 -8.782 1.00 0.00 C ATOM 1175 O ALA A 69 -16.097 -4.950 -8.655 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.329 -2.287 -8.340 1.00 0.00 C ATOM 0 H ALA A 69 -15.784 -0.811 -9.686 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.692 -3.407 -10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.863 -3.120 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.557 -1.676 -8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.892 -1.679 -7.631 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.445 -3.169 -8.392 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.523 -3.937 -7.780 1.00 0.00 C ATOM 1184 C LYS A 70 -19.092 -4.955 -8.762 1.00 0.00 C ATOM 1185 O LYS A 70 -19.223 -6.136 -8.440 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.634 -3.001 -7.298 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.892 -3.727 -6.857 1.00 0.00 C ATOM 1188 CD LYS A 70 -21.821 -2.811 -6.078 1.00 0.00 C ATOM 1189 CE LYS A 70 -22.597 -1.886 -7.003 1.00 0.00 C ATOM 1190 NZ LYS A 70 -24.066 -2.115 -6.912 1.00 0.00 N ATOM 0 H LYS A 70 -17.640 -2.173 -8.489 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.112 -4.474 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.259 -2.404 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -19.887 -2.308 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.413 -4.117 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.621 -4.583 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.518 -3.411 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.240 -2.218 -5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.375 -0.849 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.268 -2.041 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -24.559 -1.465 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -24.281 -3.097 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -24.384 -1.943 -5.937 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.427 -4.490 -9.961 1.00 0.00 N ATOM 1205 CA ILE A 71 -19.980 -5.361 -10.991 1.00 0.00 C ATOM 1206 C ILE A 71 -18.944 -6.375 -11.467 1.00 0.00 C ATOM 1207 O ILE A 71 -19.199 -7.579 -11.480 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.484 -4.553 -12.201 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.307 -3.351 -11.732 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.309 -5.439 -13.123 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.477 -3.727 -10.850 1.00 0.00 C ATOM 0 H ILE A 71 -19.325 -3.515 -10.243 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.821 -5.888 -10.541 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.622 -4.185 -12.758 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.657 -2.666 -11.187 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.678 -2.812 -12.604 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.658 -4.854 -13.974 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.694 -6.266 -13.479 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.166 -5.833 -12.577 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.015 -2.826 -10.555 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.149 -4.388 -11.398 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.112 -4.239 -9.960 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.774 -5.879 -11.855 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.698 -6.741 -12.329 1.00 0.00 C ATOM 1225 C VAL A 72 -16.410 -7.859 -11.333 1.00 0.00 C ATOM 1226 O VAL A 72 -16.185 -9.006 -11.719 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.404 -5.942 -12.574 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -14.225 -6.881 -12.775 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.569 -5.016 -13.770 1.00 0.00 C ATOM 0 H VAL A 72 -17.547 -4.885 -11.850 1.00 0.00 H new ATOM 0 HA VAL A 72 -17.033 -7.174 -13.272 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.203 -5.331 -11.694 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.320 -6.298 -12.947 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.096 -7.498 -11.886 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.413 -7.521 -13.637 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.646 -4.459 -13.929 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.795 -5.606 -14.658 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.385 -4.319 -13.580 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.419 -7.517 -10.049 1.00 0.00 N ATOM 1240 CA ASP A 73 -16.161 -8.492 -8.996 1.00 0.00 C ATOM 1241 C ASP A 73 -17.278 -9.529 -8.929 1.00 0.00 C ATOM 1242 O ASP A 73 -17.022 -10.723 -8.775 1.00 0.00 O ATOM 1243 CB ASP A 73 -16.019 -7.790 -7.645 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.662 -7.135 -7.473 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.793 -7.332 -8.348 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.468 -6.427 -6.462 1.00 0.00 O ATOM 0 H ASP A 73 -16.602 -6.572 -9.713 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.228 -9.004 -9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.799 -7.035 -7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.174 -8.514 -6.845 1.00 0.00 H new ATOM 1251 N ASP A 74 -18.517 -9.064 -9.045 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.674 -9.950 -8.998 1.00 0.00 C ATOM 1253 C ASP A 74 -19.652 -10.935 -10.163 1.00 0.00 C ATOM 1254 O ASP A 74 -19.831 -12.139 -9.976 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.969 -9.136 -9.027 1.00 0.00 C ATOM 1256 CG ASP A 74 -21.465 -8.789 -7.638 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -21.299 -9.622 -6.722 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -22.019 -7.683 -7.465 1.00 0.00 O ATOM 0 H ASP A 74 -18.746 -8.078 -9.172 1.00 0.00 H new ATOM 0 HA ASP A 74 -19.630 -10.515 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.805 -8.218 -9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.738 -9.701 -9.554 1.00 0.00 H new ATOM 1263 N THR A 75 -19.431 -10.416 -11.367 1.00 0.00 N ATOM 1264 CA THR A 75 -19.388 -11.248 -12.562 1.00 0.00 C ATOM 1265 C THR A 75 -18.306 -12.316 -12.449 1.00 0.00 C ATOM 1266 O THR A 75 -18.565 -13.501 -12.666 1.00 0.00 O ATOM 1267 CB THR A 75 -19.130 -10.405 -13.825 1.00 0.00 C ATOM 1268 OG1 THR A 75 -19.225 -9.011 -13.511 1.00 0.00 O ATOM 1269 CG2 THR A 75 -20.127 -10.752 -14.921 1.00 0.00 C ATOM 0 H THR A 75 -19.279 -9.422 -11.540 1.00 0.00 H new ATOM 0 HA THR A 75 -20.363 -11.728 -12.648 1.00 0.00 H new ATOM 0 HB THR A 75 -18.126 -10.629 -14.185 1.00 0.00 H new ATOM 0 HG1 THR A 75 -18.965 -8.481 -14.293 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.925 -10.144 -15.803 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.032 -11.807 -15.178 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.139 -10.554 -14.568 1.00 0.00 H new ATOM 1277 N TYR A 76 -17.095 -11.892 -12.108 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.973 -12.813 -11.968 1.00 0.00 C ATOM 1279 C TYR A 76 -16.215 -13.795 -10.827 1.00 0.00 C ATOM 1280 O TYR A 76 -16.002 -14.999 -10.974 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.678 -12.038 -11.723 1.00 0.00 C ATOM 1282 CG TYR A 76 -13.542 -12.454 -12.631 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -13.350 -13.788 -12.969 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -12.661 -11.513 -13.150 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -12.314 -14.173 -13.797 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -11.623 -11.889 -13.980 1.00 0.00 C ATOM 1287 CZ TYR A 76 -11.453 -13.220 -14.300 1.00 0.00 C ATOM 1288 OH TYR A 76 -10.420 -13.599 -15.127 1.00 0.00 O ATOM 0 H TYR A 76 -16.864 -10.916 -11.923 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.880 -13.377 -12.896 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.870 -10.974 -11.860 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.372 -12.176 -10.686 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -14.023 -14.537 -12.577 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.790 -10.470 -12.900 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.179 -15.214 -14.049 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.948 -11.145 -14.376 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.908 -12.807 -15.395 1.00 0.00 H new ATOM 1298 N ARG A 77 -16.662 -13.273 -9.689 1.00 0.00 N ATOM 1299 CA ARG A 77 -16.932 -14.103 -8.522 1.00 0.00 C ATOM 1300 C ARG A 77 -17.842 -15.273 -8.885 1.00 0.00 C ATOM 1301 O ARG A 77 -17.582 -16.416 -8.509 1.00 0.00 O ATOM 1302 CB ARG A 77 -17.576 -13.267 -7.414 1.00 0.00 C ATOM 1303 CG ARG A 77 -16.570 -12.627 -6.471 1.00 0.00 C ATOM 1304 CD ARG A 77 -17.260 -11.805 -5.394 1.00 0.00 C ATOM 1305 NE ARG A 77 -17.890 -10.606 -5.940 1.00 0.00 N ATOM 1306 CZ ARG A 77 -18.195 -9.539 -5.209 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -17.930 -9.523 -3.910 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -18.767 -8.486 -5.778 1.00 0.00 N ATOM 0 H ARG A 77 -16.845 -12.279 -9.551 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.983 -14.501 -8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.185 -12.485 -7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -18.250 -13.901 -6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -15.962 -13.403 -6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.892 -11.989 -7.039 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.014 -12.417 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.532 -11.518 -4.635 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.108 -10.586 -6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.491 -10.331 -3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -18.165 -8.703 -3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.973 -8.495 -6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.001 -7.667 -5.217 1.00 0.00 H new ATOM 1322 N LYS A 78 -18.911 -14.979 -9.618 1.00 0.00 N ATOM 1323 CA LYS A 78 -19.860 -16.005 -10.034 1.00 0.00 C ATOM 1324 C LYS A 78 -19.332 -16.778 -11.238 1.00 0.00 C ATOM 1325 O LYS A 78 -19.711 -17.927 -11.463 1.00 0.00 O ATOM 1326 CB LYS A 78 -21.211 -15.371 -10.373 1.00 0.00 C ATOM 1327 CG LYS A 78 -22.318 -16.385 -10.604 1.00 0.00 C ATOM 1328 CD LYS A 78 -23.619 -15.710 -11.002 1.00 0.00 C ATOM 1329 CE LYS A 78 -24.147 -16.253 -12.321 1.00 0.00 C ATOM 1330 NZ LYS A 78 -25.029 -15.271 -13.012 1.00 0.00 N ATOM 0 H LYS A 78 -19.142 -14.038 -9.936 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.990 -16.702 -9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -21.504 -14.704 -9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -21.100 -14.756 -11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -22.016 -17.083 -11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.473 -16.969 -9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.363 -15.862 -10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.461 -14.635 -11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.309 -16.508 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -24.701 -17.174 -12.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -25.368 -15.679 -13.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -25.842 -15.046 -12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -24.493 -14.402 -13.209 1.00 0.00 H new ATOM 1344 N MET A 79 -18.455 -16.141 -12.007 1.00 0.00 N ATOM 1345 CA MET A 79 -17.874 -16.771 -13.186 1.00 0.00 C ATOM 1346 C MET A 79 -17.191 -18.085 -12.820 1.00 0.00 C ATOM 1347 O MET A 79 -17.533 -19.141 -13.351 1.00 0.00 O ATOM 1348 CB MET A 79 -16.869 -15.829 -13.851 1.00 0.00 C ATOM 1349 CG MET A 79 -16.292 -16.373 -15.149 1.00 0.00 C ATOM 1350 SD MET A 79 -16.389 -15.187 -16.503 1.00 0.00 S ATOM 1351 CE MET A 79 -14.874 -14.264 -16.253 1.00 0.00 C ATOM 0 H MET A 79 -18.131 -15.189 -11.835 1.00 0.00 H new ATOM 0 HA MET A 79 -18.681 -16.984 -13.887 1.00 0.00 H new ATOM 0 HB2 MET A 79 -17.356 -14.875 -14.051 1.00 0.00 H new ATOM 0 HB3 MET A 79 -16.054 -15.631 -13.155 1.00 0.00 H new ATOM 0 HG2 MET A 79 -15.251 -16.653 -14.990 1.00 0.00 H new ATOM 0 HG3 MET A 79 -16.827 -17.281 -15.427 1.00 0.00 H new ATOM 0 HE1 MET A 79 -14.763 -13.525 -17.047 1.00 0.00 H new ATOM 0 HE2 MET A 79 -14.911 -13.758 -15.288 1.00 0.00 H new ATOM 0 HE3 MET A 79 -14.025 -14.947 -16.272 1.00 0.00 H new