USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 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 83 LYS NZ :NH3+ -146:sc= -0.32 (180deg=-1.71!) USER MOD Set 1.2: A 85 MET CE :methyl -170:sc= -0.136 (180deg=-0.656) USER MOD Set 2.1: A 64 HIS : no HE2:sc= -16.6! C(o=-16!,f=-16!) USER MOD Set 2.2: B 5 SER OG : rot 122:sc= 0.286 USER MOD Single : A 1 ARG N :NH3+ 155:sc= -0.513 (180deg=-1.4) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -173:sc= -2.08! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -169:sc= -12.9! (180deg=-13.6!) USER MOD Single : A 31 SER OG : rot -150:sc= -1.27 USER MOD Single : A 32 LYS NZ :NH3+ -115:sc= 0.661 (180deg=-0.0973) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.464 K(o=-0.46,f=-3.3!) USER MOD Single : A 42 THR OG1 : rot -34:sc= 0.944 USER MOD Single : A 53 SER OG : rot -111:sc= -3.33! USER MOD Single : A 55 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.9!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.034 USER MOD Single : A 61 SER OG : rot -53:sc= 0.0561 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0877 USER MOD Single : A 69 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.2!) USER MOD Single : A 72 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0333) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -100:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 93:sc= 0.392 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -122:sc= 1.02 (180deg=-0.287) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.940 -18.000 7.182 1.00 0.00 N ATOM 2 CA ARG A 1 -6.531 -17.080 8.283 1.00 0.00 C ATOM 3 C ARG A 1 -5.004 -17.041 8.402 1.00 0.00 C ATOM 4 O ARG A 1 -4.308 -17.893 7.885 1.00 0.00 O ATOM 5 CB ARG A 1 -7.158 -17.660 9.555 1.00 0.00 C ATOM 6 CG ARG A 1 -6.801 -19.144 9.683 1.00 0.00 C ATOM 7 CD ARG A 1 -7.986 -19.993 9.215 1.00 0.00 C ATOM 8 NE ARG A 1 -8.050 -21.125 10.181 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.749 -22.189 9.896 1.00 0.00 C ATOM 10 NH1 ARG A 1 -8.618 -22.762 8.731 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.581 -22.678 10.774 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.902 -18.351 7.363 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.923 -17.488 6.277 1.00 0.00 H new ATOM 0 H3 ARG A 1 -6.281 -18.803 7.138 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.862 -16.057 8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.800 -17.114 10.428 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -8.241 -17.539 9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -5.918 -19.370 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -6.554 -19.382 10.718 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.911 -19.417 9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -7.838 -20.351 8.196 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.547 -21.068 11.066 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -7.969 -22.378 8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.164 -23.594 8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.685 -22.228 11.684 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.127 -23.510 10.551 1.00 0.00 H new ATOM 27 N ARG A 2 -4.479 -16.050 9.071 1.00 0.00 N ATOM 28 CA ARG A 2 -2.999 -15.942 9.215 1.00 0.00 C ATOM 29 C ARG A 2 -2.642 -15.004 10.372 1.00 0.00 C ATOM 30 O ARG A 2 -3.485 -14.315 10.913 1.00 0.00 O ATOM 31 CB ARG A 2 -2.521 -15.346 7.887 1.00 0.00 C ATOM 32 CG ARG A 2 -2.262 -16.464 6.885 1.00 0.00 C ATOM 33 CD ARG A 2 -0.942 -16.194 6.161 1.00 0.00 C ATOM 34 NE ARG A 2 0.099 -16.264 7.225 1.00 0.00 N ATOM 35 CZ ARG A 2 0.612 -17.415 7.563 1.00 0.00 C ATOM 36 NH1 ARG A 2 1.295 -18.106 6.692 1.00 0.00 N ATOM 37 NH2 ARG A 2 0.441 -17.876 8.772 1.00 0.00 N ATOM 0 H ARG A 2 -5.013 -15.309 9.525 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.535 -16.905 9.431 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.271 -14.660 7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.611 -14.767 8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.220 -17.425 7.397 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.080 -16.521 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.760 -16.934 5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.949 -15.217 5.678 1.00 0.00 H new ATOM 0 HE ARG A 2 0.411 -15.411 7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.428 -17.746 5.747 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.696 -19.006 6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.094 -17.336 9.453 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.842 -18.776 9.036 1.00 0.00 H new ATOM 51 N ARG A 3 -1.391 -14.960 10.738 1.00 0.00 N ATOM 52 CA ARG A 3 -0.960 -14.056 11.844 1.00 0.00 C ATOM 53 C ARG A 3 0.371 -13.401 11.469 1.00 0.00 C ATOM 54 O ARG A 3 1.371 -14.069 11.291 1.00 0.00 O ATOM 55 CB ARG A 3 -0.795 -14.962 13.066 1.00 0.00 C ATOM 56 CG ARG A 3 0.289 -16.007 12.789 1.00 0.00 C ATOM 57 CD ARG A 3 -0.079 -17.321 13.486 1.00 0.00 C ATOM 58 NE ARG A 3 -0.802 -18.114 12.453 1.00 0.00 N ATOM 59 CZ ARG A 3 -0.518 -19.377 12.284 1.00 0.00 C ATOM 60 NH1 ARG A 3 0.724 -19.754 12.150 1.00 0.00 N ATOM 61 NH2 ARG A 3 -1.476 -20.262 12.248 1.00 0.00 N ATOM 0 H ARG A 3 -0.644 -15.513 10.317 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.675 -13.257 12.039 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.526 -14.367 13.939 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.739 -15.455 13.296 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.389 -16.168 11.716 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.254 -15.650 13.149 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.810 -17.845 13.835 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.707 -17.143 14.359 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.518 -17.671 11.878 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.473 -19.062 12.177 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.946 -20.741 12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.447 -19.967 12.352 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.254 -21.249 12.116 1.00 0.00 H new ATOM 75 N VAL A 4 0.396 -12.103 11.330 1.00 0.00 N ATOM 76 CA VAL A 4 1.669 -11.431 10.946 1.00 0.00 C ATOM 77 C VAL A 4 2.085 -10.406 12.005 1.00 0.00 C ATOM 78 O VAL A 4 1.277 -9.651 12.505 1.00 0.00 O ATOM 79 CB VAL A 4 1.355 -10.742 9.618 1.00 0.00 C ATOM 80 CG1 VAL A 4 2.597 -10.003 9.119 1.00 0.00 C ATOM 81 CG2 VAL A 4 0.937 -11.793 8.585 1.00 0.00 C ATOM 0 H VAL A 4 -0.403 -11.484 11.465 1.00 0.00 H new ATOM 0 HA VAL A 4 2.498 -12.134 10.861 1.00 0.00 H new ATOM 0 HB VAL A 4 0.543 -10.029 9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.372 -9.512 8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.895 -9.255 9.854 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.410 -10.714 8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.713 -11.303 7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.749 -12.506 8.442 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.051 -12.320 8.940 1.00 0.00 H new ATOM 91 N THR A 5 3.346 -10.374 12.344 1.00 0.00 N ATOM 92 CA THR A 5 3.823 -9.396 13.365 1.00 0.00 C ATOM 93 C THR A 5 4.969 -8.559 12.789 1.00 0.00 C ATOM 94 O THR A 5 5.952 -9.085 12.308 1.00 0.00 O ATOM 95 CB THR A 5 4.313 -10.250 14.539 1.00 0.00 C ATOM 96 OG1 THR A 5 3.206 -10.908 15.138 1.00 0.00 O ATOM 97 CG2 THR A 5 5.000 -9.360 15.580 1.00 0.00 C ATOM 0 H THR A 5 4.067 -10.983 11.958 1.00 0.00 H new ATOM 0 HA THR A 5 3.042 -8.701 13.672 1.00 0.00 H new ATOM 0 HB THR A 5 5.026 -10.989 14.172 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.518 -11.456 15.888 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.346 -9.974 16.412 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.851 -8.856 15.123 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.292 -8.617 15.947 1.00 0.00 H new ATOM 105 N VAL A 6 4.852 -7.261 12.840 1.00 0.00 N ATOM 106 CA VAL A 6 5.941 -6.398 12.300 1.00 0.00 C ATOM 107 C VAL A 6 6.470 -5.471 13.395 1.00 0.00 C ATOM 108 O VAL A 6 5.770 -4.615 13.894 1.00 0.00 O ATOM 109 CB VAL A 6 5.298 -5.594 11.170 1.00 0.00 C ATOM 110 CG1 VAL A 6 6.331 -4.630 10.581 1.00 0.00 C ATOM 111 CG2 VAL A 6 4.814 -6.549 10.080 1.00 0.00 C ATOM 0 H VAL A 6 4.053 -6.762 13.231 1.00 0.00 H new ATOM 0 HA VAL A 6 6.790 -6.981 11.943 1.00 0.00 H new ATOM 0 HB VAL A 6 4.452 -5.028 11.560 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.875 -4.056 9.775 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.679 -3.950 11.359 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.176 -5.197 10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.355 -5.978 9.273 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.660 -7.114 9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.081 -7.238 10.499 1.00 0.00 H new ATOM 121 N ARG A 7 7.707 -5.635 13.773 1.00 0.00 N ATOM 122 CA ARG A 7 8.282 -4.761 14.834 1.00 0.00 C ATOM 123 C ARG A 7 8.863 -3.493 14.205 1.00 0.00 C ATOM 124 O ARG A 7 9.810 -3.544 13.445 1.00 0.00 O ATOM 125 CB ARG A 7 9.382 -5.594 15.488 1.00 0.00 C ATOM 126 CG ARG A 7 8.799 -6.387 16.662 1.00 0.00 C ATOM 127 CD ARG A 7 9.587 -7.686 16.841 1.00 0.00 C ATOM 128 NE ARG A 7 10.767 -7.304 17.666 1.00 0.00 N ATOM 129 CZ ARG A 7 11.713 -8.172 17.896 1.00 0.00 C ATOM 130 NH1 ARG A 7 11.562 -9.068 18.833 1.00 0.00 N ATOM 131 NH2 ARG A 7 12.810 -8.144 17.189 1.00 0.00 N ATOM 0 H ARG A 7 8.344 -6.335 13.394 1.00 0.00 H new ATOM 0 HA ARG A 7 7.535 -4.444 15.561 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.819 -6.275 14.758 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.184 -4.944 15.838 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.845 -5.793 17.575 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.748 -6.609 16.478 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.986 -8.448 17.338 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.893 -8.099 15.880 1.00 0.00 H new ATOM 0 HE ARG A 7 10.835 -6.362 18.052 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.705 -9.089 19.385 1.00 0.00 H new ATOM 0 HH12 ARG A 7 12.301 -9.747 19.013 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.927 -7.443 16.457 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.550 -8.823 17.369 1.00 0.00 H new ATOM 145 N LYS A 8 8.297 -2.356 14.506 1.00 0.00 N ATOM 146 CA LYS A 8 8.813 -1.088 13.913 1.00 0.00 C ATOM 147 C LYS A 8 9.377 -0.173 15.002 1.00 0.00 C ATOM 148 O LYS A 8 8.737 0.766 15.431 1.00 0.00 O ATOM 149 CB LYS A 8 7.600 -0.443 13.243 1.00 0.00 C ATOM 150 CG LYS A 8 6.480 -0.269 14.271 1.00 0.00 C ATOM 151 CD LYS A 8 5.922 1.152 14.180 1.00 0.00 C ATOM 152 CE LYS A 8 5.255 1.351 12.817 1.00 0.00 C ATOM 153 NZ LYS A 8 4.945 2.807 12.754 1.00 0.00 N ATOM 0 H LYS A 8 7.501 -2.250 15.135 1.00 0.00 H new ATOM 0 HA LYS A 8 9.624 -1.267 13.207 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.875 0.524 12.822 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.255 -1.064 12.416 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.688 -0.995 14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.860 -0.458 15.275 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.200 1.323 14.979 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.724 1.878 14.314 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.918 1.052 12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.350 0.750 12.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.485 3.025 11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.307 3.060 13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.826 3.353 12.835 1.00 0.00 H new ATOM 167 N ALA A 9 10.575 -0.437 15.449 1.00 0.00 N ATOM 168 CA ALA A 9 11.180 0.422 16.507 1.00 0.00 C ATOM 169 C ALA A 9 11.366 1.849 15.983 1.00 0.00 C ATOM 170 O ALA A 9 10.846 2.797 16.536 1.00 0.00 O ATOM 171 CB ALA A 9 12.535 -0.218 16.812 1.00 0.00 C ATOM 0 H ALA A 9 11.160 -1.209 15.128 1.00 0.00 H new ATOM 0 HA ALA A 9 10.552 0.488 17.396 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.044 0.358 17.584 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.385 -1.239 17.161 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.144 -0.230 15.908 1.00 0.00 H new ATOM 177 N ASP A 10 12.104 2.008 14.918 1.00 0.00 N ATOM 178 CA ASP A 10 12.323 3.373 14.359 1.00 0.00 C ATOM 179 C ASP A 10 10.986 3.995 13.938 1.00 0.00 C ATOM 180 O ASP A 10 10.851 5.199 13.856 1.00 0.00 O ATOM 181 CB ASP A 10 13.222 3.162 13.141 1.00 0.00 C ATOM 182 CG ASP A 10 14.642 3.629 13.469 1.00 0.00 C ATOM 183 OD1 ASP A 10 14.928 4.793 13.245 1.00 0.00 O ATOM 184 OD2 ASP A 10 15.418 2.813 13.939 1.00 0.00 O ATOM 0 H ASP A 10 12.565 1.252 14.411 1.00 0.00 H new ATOM 0 HA ASP A 10 12.772 4.049 15.086 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.230 2.109 12.859 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.833 3.717 12.288 1.00 0.00 H new ATOM 189 N ALA A 11 9.999 3.184 13.671 1.00 0.00 N ATOM 190 CA ALA A 11 8.675 3.732 13.257 1.00 0.00 C ATOM 191 C ALA A 11 8.844 4.687 12.073 1.00 0.00 C ATOM 192 O ALA A 11 8.298 5.773 12.057 1.00 0.00 O ATOM 193 CB ALA A 11 8.157 4.485 14.482 1.00 0.00 C ATOM 0 H ALA A 11 10.051 2.167 13.721 1.00 0.00 H new ATOM 0 HA ALA A 11 7.987 2.949 12.938 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.183 4.919 14.257 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.062 3.795 15.320 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.856 5.279 14.744 1.00 0.00 H new ATOM 199 N GLY A 12 9.595 4.294 11.081 1.00 0.00 N ATOM 200 CA GLY A 12 9.797 5.181 9.902 1.00 0.00 C ATOM 201 C GLY A 12 9.009 4.633 8.711 1.00 0.00 C ATOM 202 O GLY A 12 9.567 4.060 7.796 1.00 0.00 O ATOM 0 H GLY A 12 10.077 3.396 11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.468 6.194 10.135 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.857 5.239 9.655 1.00 0.00 H new ATOM 206 N GLY A 13 7.716 4.802 8.715 1.00 0.00 N ATOM 207 CA GLY A 13 6.894 4.287 7.583 1.00 0.00 C ATOM 208 C GLY A 13 6.803 2.763 7.672 1.00 0.00 C ATOM 209 O GLY A 13 7.770 2.091 7.972 1.00 0.00 O ATOM 0 H GLY A 13 7.193 5.274 9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.896 4.724 7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.340 4.581 6.633 1.00 0.00 H new ATOM 213 N LEU A 14 5.649 2.213 7.416 1.00 0.00 N ATOM 214 CA LEU A 14 5.496 0.731 7.488 1.00 0.00 C ATOM 215 C LEU A 14 5.502 0.121 6.082 1.00 0.00 C ATOM 216 O LEU A 14 5.648 -1.074 5.918 1.00 0.00 O ATOM 217 CB LEU A 14 4.136 0.511 8.152 1.00 0.00 C ATOM 218 CG LEU A 14 4.200 -0.703 9.082 1.00 0.00 C ATOM 219 CD1 LEU A 14 3.198 -0.522 10.224 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.842 -1.966 8.295 1.00 0.00 C ATOM 0 H LEU A 14 4.805 2.725 7.160 1.00 0.00 H new ATOM 0 HA LEU A 14 6.310 0.261 8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.850 1.398 8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.371 0.357 7.391 1.00 0.00 H new ATOM 0 HG LEU A 14 5.207 -0.796 9.488 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.242 -1.386 10.887 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.445 0.379 10.785 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.192 -0.430 9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.887 -2.832 8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.834 -1.870 7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.550 -2.097 7.476 1.00 0.00 H new ATOM 232 N GLY A 15 5.339 0.925 5.064 1.00 0.00 N ATOM 233 CA GLY A 15 5.328 0.372 3.680 1.00 0.00 C ATOM 234 C GLY A 15 4.174 -0.622 3.563 1.00 0.00 C ATOM 235 O GLY A 15 4.353 -1.815 3.704 1.00 0.00 O ATOM 0 H GLY A 15 5.214 1.935 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.211 1.175 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.276 -0.121 3.462 1.00 0.00 H new ATOM 239 N ILE A 16 2.988 -0.136 3.328 1.00 0.00 N ATOM 240 CA ILE A 16 1.815 -1.054 3.229 1.00 0.00 C ATOM 241 C ILE A 16 0.570 -0.281 2.782 1.00 0.00 C ATOM 242 O ILE A 16 0.126 0.636 3.444 1.00 0.00 O ATOM 243 CB ILE A 16 1.630 -1.610 4.653 1.00 0.00 C ATOM 244 CG1 ILE A 16 0.303 -2.371 4.750 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.618 -0.459 5.665 1.00 0.00 C ATOM 246 CD1 ILE A 16 0.487 -3.609 5.624 1.00 0.00 C ATOM 0 H ILE A 16 2.778 0.854 3.200 1.00 0.00 H new ATOM 0 HA ILE A 16 1.969 -1.847 2.497 1.00 0.00 H new ATOM 0 HB ILE A 16 2.457 -2.285 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.468 -1.726 5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.035 -2.662 3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.487 -0.860 6.670 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.562 0.083 5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.797 0.219 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.457 -4.150 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.245 -4.256 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.805 -3.306 6.622 1.00 0.00 H new ATOM 258 N SER A 17 -0.006 -0.655 1.673 1.00 0.00 N ATOM 259 CA SER A 17 -1.230 0.050 1.203 1.00 0.00 C ATOM 260 C SER A 17 -2.432 -0.895 1.293 1.00 0.00 C ATOM 261 O SER A 17 -2.457 -1.946 0.684 1.00 0.00 O ATOM 262 CB SER A 17 -0.943 0.437 -0.250 1.00 0.00 C ATOM 263 OG SER A 17 0.443 0.695 -0.406 1.00 0.00 O ATOM 0 H SER A 17 0.317 -1.415 1.074 1.00 0.00 H new ATOM 0 HA SER A 17 -1.466 0.928 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.252 -0.366 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.521 1.320 -0.523 1.00 0.00 H new ATOM 0 HG SER A 17 0.611 1.044 -1.306 1.00 0.00 H new ATOM 269 N ILE A 18 -3.420 -0.538 2.068 1.00 0.00 N ATOM 270 CA ILE A 18 -4.611 -1.425 2.219 1.00 0.00 C ATOM 271 C ILE A 18 -5.778 -0.937 1.361 1.00 0.00 C ATOM 272 O ILE A 18 -5.915 0.239 1.099 1.00 0.00 O ATOM 273 CB ILE A 18 -4.970 -1.339 3.702 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.324 0.105 4.061 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.777 -1.786 4.546 1.00 0.00 C ATOM 276 CD1 ILE A 18 -6.138 0.113 5.353 1.00 0.00 C ATOM 0 H ILE A 18 -3.455 0.329 2.604 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.400 -2.444 1.895 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.823 -1.987 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.416 0.695 4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.895 0.564 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.035 -1.724 5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.519 -2.815 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.924 -1.138 4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.394 1.139 5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.052 -0.464 5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.550 -0.331 6.156 1.00 0.00 H new ATOM 288 N LYS A 19 -6.632 -1.832 0.937 1.00 0.00 N ATOM 289 CA LYS A 19 -7.803 -1.410 0.116 1.00 0.00 C ATOM 290 C LYS A 19 -9.082 -2.034 0.684 1.00 0.00 C ATOM 291 O LYS A 19 -9.034 -2.999 1.420 1.00 0.00 O ATOM 292 CB LYS A 19 -7.516 -1.919 -1.308 1.00 0.00 C ATOM 293 CG LYS A 19 -7.549 -3.453 -1.354 1.00 0.00 C ATOM 294 CD LYS A 19 -7.870 -3.905 -2.781 1.00 0.00 C ATOM 295 CE LYS A 19 -8.045 -5.425 -2.809 1.00 0.00 C ATOM 296 NZ LYS A 19 -9.198 -5.659 -3.724 1.00 0.00 N ATOM 0 H LYS A 19 -6.569 -2.833 1.123 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.948 -0.330 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.254 -1.514 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.540 -1.561 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.588 -3.859 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.299 -3.834 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.779 -3.417 -3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.068 -3.608 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.145 -5.920 -3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.245 -5.819 -1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.382 -6.680 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.042 -5.181 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.976 -5.279 -4.666 1.00 0.00 H new ATOM 310 N GLY A 20 -10.223 -1.495 0.355 1.00 0.00 N ATOM 311 CA GLY A 20 -11.491 -2.070 0.888 1.00 0.00 C ATOM 312 C GLY A 20 -12.136 -1.075 1.851 1.00 0.00 C ATOM 313 O GLY A 20 -11.800 0.092 1.873 1.00 0.00 O ATOM 0 H GLY A 20 -10.333 -0.686 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.174 -2.294 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.289 -3.010 1.401 1.00 0.00 H new ATOM 317 N GLY A 21 -13.063 -1.527 2.649 1.00 0.00 N ATOM 318 CA GLY A 21 -13.730 -0.607 3.611 1.00 0.00 C ATOM 319 C GLY A 21 -15.055 -1.217 4.063 1.00 0.00 C ATOM 320 O GLY A 21 -15.771 -1.819 3.289 1.00 0.00 O ATOM 0 H GLY A 21 -13.387 -2.494 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.085 -0.434 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.904 0.362 3.143 1.00 0.00 H new ATOM 324 N ARG A 22 -15.384 -1.069 5.317 1.00 0.00 N ATOM 325 CA ARG A 22 -16.661 -1.644 5.826 1.00 0.00 C ATOM 326 C ARG A 22 -17.860 -1.046 5.080 1.00 0.00 C ATOM 327 O ARG A 22 -18.952 -1.576 5.126 1.00 0.00 O ATOM 328 CB ARG A 22 -16.693 -1.271 7.307 1.00 0.00 C ATOM 329 CG ARG A 22 -17.898 -1.934 7.975 1.00 0.00 C ATOM 330 CD ARG A 22 -17.421 -3.138 8.789 1.00 0.00 C ATOM 331 NE ARG A 22 -18.052 -4.317 8.133 1.00 0.00 N ATOM 332 CZ ARG A 22 -19.224 -4.732 8.528 1.00 0.00 C ATOM 333 NH1 ARG A 22 -19.368 -5.242 9.722 1.00 0.00 N ATOM 334 NH2 ARG A 22 -20.253 -4.638 7.731 1.00 0.00 N ATOM 0 H ARG A 22 -14.824 -0.575 6.011 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.718 -2.722 5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.772 -1.592 7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.752 -0.188 7.419 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.408 -1.221 8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.618 -2.252 7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.334 -3.216 8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.726 -3.056 9.832 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.568 -4.799 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.564 -5.316 10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.284 -5.566 10.031 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -20.141 -4.240 6.799 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -21.169 -4.963 8.040 1.00 0.00 H new ATOM 348 N GLU A 23 -17.671 0.044 4.380 1.00 0.00 N ATOM 349 CA GLU A 23 -18.809 0.643 3.630 1.00 0.00 C ATOM 350 C GLU A 23 -19.152 -0.233 2.421 1.00 0.00 C ATOM 351 O GLU A 23 -20.217 -0.126 1.845 1.00 0.00 O ATOM 352 CB GLU A 23 -18.313 2.016 3.184 1.00 0.00 C ATOM 353 CG GLU A 23 -19.127 3.104 3.886 1.00 0.00 C ATOM 354 CD GLU A 23 -18.760 4.471 3.304 1.00 0.00 C ATOM 355 OE1 GLU A 23 -17.664 4.595 2.782 1.00 0.00 O ATOM 356 OE2 GLU A 23 -19.580 5.370 3.390 1.00 0.00 O ATOM 0 H GLU A 23 -16.783 0.540 4.297 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.713 0.721 4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.255 2.127 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.409 2.116 2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -20.193 2.916 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -18.928 3.088 4.958 1.00 0.00 H new ATOM 363 N ASN A 24 -18.257 -1.106 2.036 1.00 0.00 N ATOM 364 CA ASN A 24 -18.526 -1.997 0.874 1.00 0.00 C ATOM 365 C ASN A 24 -18.332 -3.458 1.288 1.00 0.00 C ATOM 366 O ASN A 24 -18.063 -4.317 0.471 1.00 0.00 O ATOM 367 CB ASN A 24 -17.491 -1.591 -0.176 1.00 0.00 C ATOM 368 CG ASN A 24 -18.142 -0.664 -1.204 1.00 0.00 C ATOM 369 OD1 ASN A 24 -18.783 -1.120 -2.131 1.00 0.00 O ATOM 370 ND2 ASN A 24 -18.005 0.627 -1.079 1.00 0.00 N ATOM 0 H ASN A 24 -17.348 -1.239 2.480 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.544 -1.903 0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.651 -1.088 0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.093 -2.477 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.436 1.254 -1.759 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.467 1.010 -0.301 1.00 0.00 H new ATOM 377 N LYS A 25 -18.463 -3.744 2.558 1.00 0.00 N ATOM 378 CA LYS A 25 -18.284 -5.146 3.038 1.00 0.00 C ATOM 379 C LYS A 25 -16.907 -5.676 2.626 1.00 0.00 C ATOM 380 O LYS A 25 -16.736 -6.217 1.552 1.00 0.00 O ATOM 381 CB LYS A 25 -19.394 -5.950 2.360 1.00 0.00 C ATOM 382 CG LYS A 25 -20.091 -6.834 3.398 1.00 0.00 C ATOM 383 CD LYS A 25 -21.478 -7.229 2.883 1.00 0.00 C ATOM 384 CE LYS A 25 -21.827 -8.634 3.378 1.00 0.00 C ATOM 385 NZ LYS A 25 -21.536 -9.532 2.224 1.00 0.00 N ATOM 0 H LYS A 25 -18.687 -3.064 3.285 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.340 -5.217 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.115 -5.276 1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.977 -6.566 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.495 -7.726 3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.181 -6.300 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.224 -6.514 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.494 -7.202 1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.231 -8.905 4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.874 -8.699 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.751 -10.515 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.123 -9.254 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.531 -9.454 1.968 1.00 0.00 H new ATOM 399 N MET A 26 -15.925 -5.525 3.472 1.00 0.00 N ATOM 400 CA MET A 26 -14.561 -6.021 3.126 1.00 0.00 C ATOM 401 C MET A 26 -13.637 -5.936 4.354 1.00 0.00 C ATOM 402 O MET A 26 -13.530 -4.892 4.967 1.00 0.00 O ATOM 403 CB MET A 26 -14.067 -5.079 2.023 1.00 0.00 C ATOM 404 CG MET A 26 -13.568 -5.894 0.823 1.00 0.00 C ATOM 405 SD MET A 26 -11.782 -5.664 0.625 1.00 0.00 S ATOM 406 CE MET A 26 -11.259 -6.736 1.987 1.00 0.00 C ATOM 0 H MET A 26 -16.007 -5.081 4.386 1.00 0.00 H new ATOM 0 HA MET A 26 -14.570 -7.062 2.804 1.00 0.00 H new ATOM 0 HB2 MET A 26 -14.873 -4.415 1.712 1.00 0.00 H new ATOM 0 HB3 MET A 26 -13.264 -4.448 2.404 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.794 -6.950 0.970 1.00 0.00 H new ATOM 0 HG3 MET A 26 -14.087 -5.580 -0.083 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.195 -6.593 2.175 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.823 -6.485 2.885 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.444 -7.777 1.722 1.00 0.00 H new ATOM 416 N PRO A 27 -12.986 -7.033 4.672 1.00 0.00 N ATOM 417 CA PRO A 27 -12.049 -7.065 5.839 1.00 0.00 C ATOM 418 C PRO A 27 -10.741 -6.298 5.557 1.00 0.00 C ATOM 419 O PRO A 27 -9.672 -6.795 5.847 1.00 0.00 O ATOM 420 CB PRO A 27 -11.720 -8.545 5.981 1.00 0.00 C ATOM 421 CG PRO A 27 -11.921 -9.112 4.614 1.00 0.00 C ATOM 422 CD PRO A 27 -13.061 -8.341 4.001 1.00 0.00 C ATOM 0 HA PRO A 27 -12.494 -6.605 6.721 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.696 -8.692 6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.372 -9.027 6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.016 -9.011 4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.153 -10.176 4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.947 -8.246 2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.019 -8.830 4.179 1.00 0.00 H new ATOM 430 N ILE A 28 -10.802 -5.105 5.013 1.00 0.00 N ATOM 431 CA ILE A 28 -9.539 -4.333 4.732 1.00 0.00 C ATOM 432 C ILE A 28 -8.469 -5.247 4.095 1.00 0.00 C ATOM 433 O ILE A 28 -7.692 -5.868 4.791 1.00 0.00 O ATOM 434 CB ILE A 28 -9.040 -3.828 6.097 1.00 0.00 C ATOM 435 CG1 ILE A 28 -10.203 -3.291 6.951 1.00 0.00 C ATOM 436 CG2 ILE A 28 -8.025 -2.709 5.876 1.00 0.00 C ATOM 437 CD1 ILE A 28 -10.953 -2.193 6.191 1.00 0.00 C ATOM 0 H ILE A 28 -11.666 -4.630 4.751 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.727 -3.516 4.036 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.580 -4.663 6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.886 -4.103 7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.821 -2.896 7.892 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.667 -2.347 6.840 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.184 -3.090 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.498 -1.891 5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.773 -1.821 6.805 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.269 -1.375 5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.351 -2.601 5.262 1.00 0.00 H new ATOM 449 N LEU A 29 -8.431 -5.351 2.791 1.00 0.00 N ATOM 450 CA LEU A 29 -7.421 -6.247 2.143 1.00 0.00 C ATOM 451 C LEU A 29 -6.188 -5.464 1.677 1.00 0.00 C ATOM 452 O LEU A 29 -6.299 -4.447 1.022 1.00 0.00 O ATOM 453 CB LEU A 29 -8.130 -6.838 0.921 1.00 0.00 C ATOM 454 CG LEU A 29 -8.562 -8.277 1.201 1.00 0.00 C ATOM 455 CD1 LEU A 29 -9.286 -8.833 -0.025 1.00 0.00 C ATOM 456 CD2 LEU A 29 -7.334 -9.140 1.483 1.00 0.00 C ATOM 0 H LEU A 29 -9.051 -4.858 2.148 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.072 -7.005 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.001 -6.232 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.464 -6.813 0.058 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.225 -8.291 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.596 -9.860 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.164 -8.223 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.615 -8.814 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.647 -10.165 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.672 -9.125 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.805 -8.747 2.351 1.00 0.00 H new ATOM 468 N ILE A 30 -5.014 -5.954 1.977 1.00 0.00 N ATOM 469 CA ILE A 30 -3.780 -5.260 1.515 1.00 0.00 C ATOM 470 C ILE A 30 -3.693 -5.368 -0.011 1.00 0.00 C ATOM 471 O ILE A 30 -3.957 -6.408 -0.581 1.00 0.00 O ATOM 472 CB ILE A 30 -2.631 -6.013 2.184 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.673 -5.757 3.691 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.293 -5.523 1.622 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.517 -6.498 4.362 1.00 0.00 C ATOM 0 H ILE A 30 -4.858 -6.803 2.521 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.760 -4.200 1.770 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.733 -7.080 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.600 -4.688 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.624 -6.095 4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.477 -6.063 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.263 -5.701 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.186 -4.456 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.544 -6.318 5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.610 -7.567 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.571 -6.139 3.957 1.00 0.00 H new ATOM 487 N SER A 31 -3.341 -4.307 -0.681 1.00 0.00 N ATOM 488 CA SER A 31 -3.260 -4.370 -2.170 1.00 0.00 C ATOM 489 C SER A 31 -1.853 -4.025 -2.657 1.00 0.00 C ATOM 490 O SER A 31 -1.501 -4.294 -3.789 1.00 0.00 O ATOM 491 CB SER A 31 -4.262 -3.328 -2.665 1.00 0.00 C ATOM 492 OG SER A 31 -4.923 -3.819 -3.821 1.00 0.00 O ATOM 0 H SER A 31 -3.107 -3.404 -0.268 1.00 0.00 H new ATOM 0 HA SER A 31 -3.482 -5.370 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.989 -3.107 -1.884 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.748 -2.395 -2.896 1.00 0.00 H new ATOM 0 HG SER A 31 -5.175 -3.068 -4.398 1.00 0.00 H new ATOM 498 N LYS A 32 -1.044 -3.430 -1.826 1.00 0.00 N ATOM 499 CA LYS A 32 0.332 -3.076 -2.271 1.00 0.00 C ATOM 500 C LYS A 32 1.310 -3.126 -1.095 1.00 0.00 C ATOM 501 O LYS A 32 1.396 -2.206 -0.304 1.00 0.00 O ATOM 502 CB LYS A 32 0.217 -1.651 -2.815 1.00 0.00 C ATOM 503 CG LYS A 32 0.639 -1.628 -4.286 1.00 0.00 C ATOM 504 CD LYS A 32 1.450 -0.359 -4.563 1.00 0.00 C ATOM 505 CE LYS A 32 0.576 0.871 -4.306 1.00 0.00 C ATOM 506 NZ LYS A 32 -0.244 1.023 -5.541 1.00 0.00 N ATOM 0 H LYS A 32 -1.273 -3.175 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 32 0.711 -3.772 -3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.808 -1.294 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.847 -0.977 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.234 -2.511 -4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.241 -1.658 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.332 -0.332 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.804 -0.358 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.054 0.731 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.184 1.757 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.009 1.912 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.061 0.223 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.253 1.041 -5.288 1.00 0.00 H new ATOM 520 N ILE A 33 2.059 -4.187 -0.987 1.00 0.00 N ATOM 521 CA ILE A 33 3.045 -4.297 0.122 1.00 0.00 C ATOM 522 C ILE A 33 4.356 -3.637 -0.313 1.00 0.00 C ATOM 523 O ILE A 33 5.189 -4.243 -0.957 1.00 0.00 O ATOM 524 CB ILE A 33 3.211 -5.806 0.343 1.00 0.00 C ATOM 525 CG1 ILE A 33 1.969 -6.338 1.057 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.444 -6.092 1.203 1.00 0.00 C ATOM 527 CD1 ILE A 33 1.835 -5.667 2.425 1.00 0.00 C ATOM 0 H ILE A 33 2.030 -4.985 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 33 2.732 -3.801 1.040 1.00 0.00 H new ATOM 0 HB ILE A 33 3.337 -6.295 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.081 -6.143 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.041 -7.419 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.545 -7.168 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.333 -5.709 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.334 -5.604 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.949 -6.048 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.718 -5.885 3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.743 -4.589 2.294 1.00 0.00 H new ATOM 539 N PHE A 34 4.529 -2.389 0.020 1.00 0.00 N ATOM 540 CA PHE A 34 5.766 -1.665 -0.385 1.00 0.00 C ATOM 541 C PHE A 34 7.003 -2.460 0.045 1.00 0.00 C ATOM 542 O PHE A 34 7.059 -2.994 1.135 1.00 0.00 O ATOM 543 CB PHE A 34 5.690 -0.322 0.350 1.00 0.00 C ATOM 544 CG PHE A 34 4.705 0.624 -0.330 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.635 0.137 -1.107 1.00 0.00 C ATOM 546 CD2 PHE A 34 4.866 2.007 -0.172 1.00 0.00 C ATOM 547 CE1 PHE A 34 2.744 1.028 -1.713 1.00 0.00 C ATOM 548 CE2 PHE A 34 3.969 2.895 -0.781 1.00 0.00 C ATOM 549 CZ PHE A 34 2.910 2.405 -1.550 1.00 0.00 C ATOM 0 H PHE A 34 3.863 -1.836 0.559 1.00 0.00 H new ATOM 0 HA PHE A 34 5.842 -1.530 -1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.386 -0.487 1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.678 0.137 0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.503 -0.927 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.684 2.390 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.926 0.651 -2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.096 3.960 -0.656 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.220 3.091 -2.018 1.00 0.00 H new ATOM 559 N LYS A 35 7.987 -2.556 -0.807 1.00 0.00 N ATOM 560 CA LYS A 35 9.209 -3.334 -0.448 1.00 0.00 C ATOM 561 C LYS A 35 10.180 -2.479 0.367 1.00 0.00 C ATOM 562 O LYS A 35 9.997 -1.288 0.524 1.00 0.00 O ATOM 563 CB LYS A 35 9.836 -3.733 -1.784 1.00 0.00 C ATOM 564 CG LYS A 35 10.133 -5.234 -1.774 1.00 0.00 C ATOM 565 CD LYS A 35 10.680 -5.659 -3.139 1.00 0.00 C ATOM 566 CE LYS A 35 10.817 -7.183 -3.179 1.00 0.00 C ATOM 567 NZ LYS A 35 10.986 -7.515 -4.622 1.00 0.00 N ATOM 0 H LYS A 35 7.999 -2.131 -1.734 1.00 0.00 H new ATOM 0 HA LYS A 35 8.969 -4.201 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.160 -3.490 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.754 -3.170 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.857 -5.466 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.226 -5.793 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.012 -5.322 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.648 -5.191 -3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.673 -7.518 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.935 -7.670 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.087 -8.544 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.153 -7.190 -5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.837 -7.043 -4.990 1.00 0.00 H new ATOM 581 N GLY A 36 11.211 -3.086 0.890 1.00 0.00 N ATOM 582 CA GLY A 36 12.193 -2.317 1.701 1.00 0.00 C ATOM 583 C GLY A 36 11.473 -1.685 2.892 1.00 0.00 C ATOM 584 O GLY A 36 11.822 -0.611 3.340 1.00 0.00 O ATOM 0 H GLY A 36 11.414 -4.081 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.990 -2.974 2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.661 -1.544 1.091 1.00 0.00 H new ATOM 588 N LEU A 37 10.460 -2.335 3.405 1.00 0.00 N ATOM 589 CA LEU A 37 9.720 -1.751 4.559 1.00 0.00 C ATOM 590 C LEU A 37 9.339 -2.834 5.575 1.00 0.00 C ATOM 591 O LEU A 37 9.358 -4.014 5.286 1.00 0.00 O ATOM 592 CB LEU A 37 8.474 -1.118 3.942 1.00 0.00 C ATOM 593 CG LEU A 37 8.814 0.302 3.475 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.393 0.480 2.016 1.00 0.00 C ATOM 595 CD2 LEU A 37 8.077 1.319 4.348 1.00 0.00 C ATOM 0 H LEU A 37 10.117 -3.238 3.077 1.00 0.00 H new ATOM 0 HA LEU A 37 10.322 -1.025 5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.125 -1.717 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.665 -1.091 4.672 1.00 0.00 H new ATOM 0 HG LEU A 37 9.889 0.461 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.636 1.491 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.923 -0.241 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.319 0.318 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.320 2.328 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.002 1.158 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.383 1.196 5.387 1.00 0.00 H new ATOM 607 N ALA A 38 9.002 -2.429 6.770 1.00 0.00 N ATOM 608 CA ALA A 38 8.625 -3.407 7.834 1.00 0.00 C ATOM 609 C ALA A 38 7.575 -4.405 7.332 1.00 0.00 C ATOM 610 O ALA A 38 7.760 -5.605 7.399 1.00 0.00 O ATOM 611 CB ALA A 38 8.035 -2.546 8.952 1.00 0.00 C ATOM 0 H ALA A 38 8.971 -1.451 7.058 1.00 0.00 H new ATOM 0 HA ALA A 38 9.481 -4.000 8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.729 -3.185 9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.786 -1.836 9.299 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.169 -2.002 8.574 1.00 0.00 H new ATOM 617 N ALA A 39 6.462 -3.918 6.861 1.00 0.00 N ATOM 618 CA ALA A 39 5.379 -4.831 6.388 1.00 0.00 C ATOM 619 C ALA A 39 5.875 -5.806 5.314 1.00 0.00 C ATOM 620 O ALA A 39 5.431 -6.935 5.250 1.00 0.00 O ATOM 621 CB ALA A 39 4.315 -3.903 5.807 1.00 0.00 C ATOM 0 H ALA A 39 6.253 -2.923 6.782 1.00 0.00 H new ATOM 0 HA ALA A 39 5.004 -5.452 7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.479 -4.496 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.961 -3.224 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.744 -3.326 4.988 1.00 0.00 H new ATOM 627 N ASP A 40 6.766 -5.387 4.459 1.00 0.00 N ATOM 628 CA ASP A 40 7.245 -6.313 3.391 1.00 0.00 C ATOM 629 C ASP A 40 8.547 -7.012 3.797 1.00 0.00 C ATOM 630 O ASP A 40 9.053 -7.851 3.078 1.00 0.00 O ATOM 631 CB ASP A 40 7.463 -5.428 2.164 1.00 0.00 C ATOM 632 CG ASP A 40 8.044 -6.273 1.025 1.00 0.00 C ATOM 633 OD1 ASP A 40 7.272 -6.931 0.348 1.00 0.00 O ATOM 634 OD2 ASP A 40 9.251 -6.247 0.852 1.00 0.00 O ATOM 0 H ASP A 40 7.180 -4.455 4.451 1.00 0.00 H new ATOM 0 HA ASP A 40 6.526 -7.110 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.520 -4.978 1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.141 -4.610 2.407 1.00 0.00 H new ATOM 639 N GLN A 41 9.097 -6.691 4.938 1.00 0.00 N ATOM 640 CA GLN A 41 10.361 -7.365 5.356 1.00 0.00 C ATOM 641 C GLN A 41 10.099 -8.302 6.546 1.00 0.00 C ATOM 642 O GLN A 41 11.013 -8.714 7.232 1.00 0.00 O ATOM 643 CB GLN A 41 11.328 -6.232 5.737 1.00 0.00 C ATOM 644 CG GLN A 41 10.878 -5.561 7.040 1.00 0.00 C ATOM 645 CD GLN A 41 11.900 -5.840 8.147 1.00 0.00 C ATOM 646 OE1 GLN A 41 13.013 -6.248 7.877 1.00 0.00 O ATOM 647 NE2 GLN A 41 11.568 -5.633 9.392 1.00 0.00 N ATOM 0 H GLN A 41 8.731 -5.999 5.592 1.00 0.00 H new ATOM 0 HA GLN A 41 10.777 -7.985 4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.336 -6.630 5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.368 -5.494 4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.775 -4.486 6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.898 -5.937 7.334 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.635 -5.291 9.621 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.242 -5.813 10.136 1.00 0.00 H new ATOM 656 N THR A 42 8.861 -8.644 6.791 1.00 0.00 N ATOM 657 CA THR A 42 8.554 -9.556 7.932 1.00 0.00 C ATOM 658 C THR A 42 8.133 -10.943 7.423 1.00 0.00 C ATOM 659 O THR A 42 7.601 -11.746 8.163 1.00 0.00 O ATOM 660 CB THR A 42 7.401 -8.881 8.680 1.00 0.00 C ATOM 661 OG1 THR A 42 7.013 -9.694 9.778 1.00 0.00 O ATOM 662 CG2 THR A 42 6.210 -8.694 7.736 1.00 0.00 C ATOM 0 H THR A 42 8.052 -8.333 6.253 1.00 0.00 H new ATOM 0 HA THR A 42 9.421 -9.713 8.573 1.00 0.00 H new ATOM 0 HB THR A 42 7.727 -7.906 9.043 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.119 -10.639 9.539 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.392 -8.213 8.273 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.508 -8.069 6.894 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.881 -9.666 7.368 1.00 0.00 H new ATOM 670 N GLU A 43 8.377 -11.234 6.167 1.00 0.00 N ATOM 671 CA GLU A 43 8.004 -12.572 5.609 1.00 0.00 C ATOM 672 C GLU A 43 6.585 -12.978 6.032 1.00 0.00 C ATOM 673 O GLU A 43 6.375 -14.041 6.579 1.00 0.00 O ATOM 674 CB GLU A 43 9.032 -13.539 6.194 1.00 0.00 C ATOM 675 CG GLU A 43 10.428 -13.158 5.694 1.00 0.00 C ATOM 676 CD GLU A 43 10.713 -13.882 4.377 1.00 0.00 C ATOM 677 OE1 GLU A 43 9.798 -13.999 3.579 1.00 0.00 O ATOM 678 OE2 GLU A 43 11.841 -14.305 4.189 1.00 0.00 O ATOM 0 H GLU A 43 8.820 -10.600 5.502 1.00 0.00 H new ATOM 0 HA GLU A 43 8.006 -12.568 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.002 -13.505 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.795 -14.561 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.493 -12.080 5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.178 -13.426 6.438 1.00 0.00 H new ATOM 685 N ALA A 44 5.610 -12.146 5.775 1.00 0.00 N ATOM 686 CA ALA A 44 4.211 -12.498 6.160 1.00 0.00 C ATOM 687 C ALA A 44 3.236 -11.428 5.667 1.00 0.00 C ATOM 688 O ALA A 44 2.240 -11.731 5.040 1.00 0.00 O ATOM 689 CB ALA A 44 4.214 -12.548 7.686 1.00 0.00 C ATOM 0 H ALA A 44 5.721 -11.241 5.317 1.00 0.00 H new ATOM 0 HA ALA A 44 3.895 -13.444 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.216 -12.802 8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.924 -13.303 8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.504 -11.575 8.081 1.00 0.00 H new ATOM 695 N LEU A 45 3.504 -10.179 5.936 1.00 0.00 N ATOM 696 CA LEU A 45 2.574 -9.122 5.456 1.00 0.00 C ATOM 697 C LEU A 45 2.693 -9.010 3.938 1.00 0.00 C ATOM 698 O LEU A 45 3.425 -8.198 3.406 1.00 0.00 O ATOM 699 CB LEU A 45 2.996 -7.832 6.160 1.00 0.00 C ATOM 700 CG LEU A 45 1.865 -7.393 7.099 1.00 0.00 C ATOM 701 CD1 LEU A 45 2.302 -6.176 7.913 1.00 0.00 C ATOM 702 CD2 LEU A 45 0.630 -7.035 6.270 1.00 0.00 C ATOM 0 H LEU A 45 4.315 -9.850 6.460 1.00 0.00 H new ATOM 0 HA LEU A 45 1.530 -9.342 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.915 -7.992 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.204 -7.052 5.427 1.00 0.00 H new ATOM 0 HG LEU A 45 1.628 -8.210 7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.492 -5.872 8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.180 -6.431 8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.546 -5.355 7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.176 -6.723 6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.874 -6.221 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.311 -7.906 5.697 1.00 0.00 H new ATOM 714 N PHE A 46 1.973 -9.845 3.249 1.00 0.00 N ATOM 715 CA PHE A 46 2.010 -9.847 1.750 1.00 0.00 C ATOM 716 C PHE A 46 0.655 -9.388 1.203 1.00 0.00 C ATOM 717 O PHE A 46 -0.363 -9.549 1.837 1.00 0.00 O ATOM 718 CB PHE A 46 2.318 -11.303 1.286 1.00 0.00 C ATOM 719 CG PHE A 46 1.931 -12.342 2.328 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.596 -12.473 2.727 1.00 0.00 C ATOM 721 CD2 PHE A 46 2.914 -13.161 2.900 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.242 -13.420 3.696 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.561 -14.108 3.869 1.00 0.00 C ATOM 724 CZ PHE A 46 1.225 -14.236 4.267 1.00 0.00 C ATOM 0 H PHE A 46 1.349 -10.539 3.660 1.00 0.00 H new ATOM 0 HA PHE A 46 2.776 -9.166 1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.782 -11.506 0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.382 -11.393 1.066 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.163 -11.843 2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.945 -13.062 2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.789 -13.520 4.002 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.319 -14.739 4.309 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.953 -14.965 5.016 1.00 0.00 H new ATOM 734 N VAL A 47 0.635 -8.805 0.031 1.00 0.00 N ATOM 735 CA VAL A 47 -0.660 -8.327 -0.549 1.00 0.00 C ATOM 736 C VAL A 47 -1.734 -9.417 -0.443 1.00 0.00 C ATOM 737 O VAL A 47 -1.448 -10.557 -0.135 1.00 0.00 O ATOM 738 CB VAL A 47 -0.351 -8.019 -2.015 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.619 -7.513 -2.705 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.733 -6.942 -2.098 1.00 0.00 C ATOM 0 H VAL A 47 1.457 -8.639 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.046 -7.455 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.000 -8.926 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.401 -7.293 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.394 -8.278 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.967 -6.607 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.951 -6.725 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.384 -6.035 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.638 -7.298 -1.605 1.00 0.00 H new ATOM 750 N GLY A 48 -2.970 -9.072 -0.687 1.00 0.00 N ATOM 751 CA GLY A 48 -4.058 -10.086 -0.586 1.00 0.00 C ATOM 752 C GLY A 48 -4.206 -10.513 0.872 1.00 0.00 C ATOM 753 O GLY A 48 -4.451 -11.663 1.173 1.00 0.00 O ATOM 0 H GLY A 48 -3.272 -8.134 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.996 -9.670 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.827 -10.950 -1.210 1.00 0.00 H new ATOM 757 N ASP A 49 -4.050 -9.593 1.784 1.00 0.00 N ATOM 758 CA ASP A 49 -4.172 -9.944 3.225 1.00 0.00 C ATOM 759 C ASP A 49 -5.283 -9.125 3.883 1.00 0.00 C ATOM 760 O ASP A 49 -5.145 -7.938 4.104 1.00 0.00 O ATOM 761 CB ASP A 49 -2.813 -9.590 3.825 1.00 0.00 C ATOM 762 CG ASP A 49 -1.854 -10.770 3.652 1.00 0.00 C ATOM 763 OD1 ASP A 49 -2.224 -11.724 2.985 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.762 -10.699 4.192 1.00 0.00 O ATOM 0 H ASP A 49 -3.843 -8.613 1.592 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.428 -10.993 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.408 -8.704 3.336 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.922 -9.349 4.882 1.00 0.00 H new ATOM 769 N ALA A 50 -6.384 -9.749 4.193 1.00 0.00 N ATOM 770 CA ALA A 50 -7.505 -9.005 4.833 1.00 0.00 C ATOM 771 C ALA A 50 -7.292 -8.931 6.349 1.00 0.00 C ATOM 772 O ALA A 50 -7.468 -9.900 7.061 1.00 0.00 O ATOM 773 CB ALA A 50 -8.751 -9.813 4.485 1.00 0.00 C ATOM 0 H ALA A 50 -6.557 -10.741 4.031 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.583 -7.975 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.628 -9.334 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.863 -9.861 3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.654 -10.822 4.885 1.00 0.00 H new ATOM 779 N ILE A 51 -6.902 -7.786 6.843 1.00 0.00 N ATOM 780 CA ILE A 51 -6.661 -7.641 8.310 1.00 0.00 C ATOM 781 C ILE A 51 -7.980 -7.670 9.084 1.00 0.00 C ATOM 782 O ILE A 51 -8.947 -7.039 8.707 1.00 0.00 O ATOM 783 CB ILE A 51 -5.990 -6.278 8.464 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.650 -6.281 7.728 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.752 -5.990 9.948 1.00 0.00 C ATOM 786 CD1 ILE A 51 -3.982 -4.915 7.890 1.00 0.00 C ATOM 0 H ILE A 51 -6.739 -6.942 6.293 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.050 -8.454 8.703 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.636 -5.508 8.042 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.005 -7.064 8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.803 -6.501 6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.273 -5.017 10.058 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.706 -5.986 10.475 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.107 -6.761 10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.026 -4.913 7.366 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.627 -4.143 7.471 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.816 -4.714 8.948 1.00 0.00 H new ATOM 798 N LEU A 52 -8.020 -8.390 10.172 1.00 0.00 N ATOM 799 CA LEU A 52 -9.273 -8.457 10.980 1.00 0.00 C ATOM 800 C LEU A 52 -9.005 -8.072 12.442 1.00 0.00 C ATOM 801 O LEU A 52 -9.873 -8.179 13.285 1.00 0.00 O ATOM 802 CB LEU A 52 -9.731 -9.911 10.884 1.00 0.00 C ATOM 803 CG LEU A 52 -10.814 -10.038 9.808 1.00 0.00 C ATOM 804 CD1 LEU A 52 -10.267 -9.550 8.467 1.00 0.00 C ATOM 805 CD2 LEU A 52 -11.240 -11.500 9.670 1.00 0.00 C ATOM 0 H LEU A 52 -7.239 -8.935 10.537 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.029 -7.763 10.612 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.885 -10.554 10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.119 -10.245 11.846 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.673 -9.433 10.098 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.040 -9.642 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.966 -8.506 8.555 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.405 -10.154 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.010 -11.584 8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.379 -12.105 9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.635 -11.855 10.622 1.00 0.00 H new ATOM 817 N SER A 53 -7.814 -7.617 12.753 1.00 0.00 N ATOM 818 CA SER A 53 -7.499 -7.218 14.161 1.00 0.00 C ATOM 819 C SER A 53 -6.025 -6.817 14.274 1.00 0.00 C ATOM 820 O SER A 53 -5.143 -7.653 14.278 1.00 0.00 O ATOM 821 CB SER A 53 -7.791 -8.449 15.034 1.00 0.00 C ATOM 822 OG SER A 53 -7.718 -9.630 14.248 1.00 0.00 O ATOM 0 H SER A 53 -7.046 -7.505 12.091 1.00 0.00 H new ATOM 0 HA SER A 53 -8.096 -6.363 14.478 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.074 -8.503 15.853 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.781 -8.361 15.482 1.00 0.00 H new ATOM 0 HG SER A 53 -8.614 -10.015 14.152 1.00 0.00 H new ATOM 828 N VAL A 54 -5.748 -5.541 14.357 1.00 0.00 N ATOM 829 CA VAL A 54 -4.326 -5.096 14.461 1.00 0.00 C ATOM 830 C VAL A 54 -3.934 -4.852 15.929 1.00 0.00 C ATOM 831 O VAL A 54 -4.494 -4.016 16.603 1.00 0.00 O ATOM 832 CB VAL A 54 -4.244 -3.790 13.658 1.00 0.00 C ATOM 833 CG1 VAL A 54 -4.750 -4.011 12.233 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.099 -2.717 14.319 1.00 0.00 C ATOM 0 H VAL A 54 -6.440 -4.792 14.357 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.641 -5.852 14.077 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.202 -3.470 13.631 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.686 -3.077 11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.138 -4.769 11.743 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.787 -4.346 12.263 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.035 -1.794 13.742 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.136 -3.050 14.356 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.739 -2.538 15.332 1.00 0.00 H new ATOM 844 N ASN A 55 -2.963 -5.579 16.411 1.00 0.00 N ATOM 845 CA ASN A 55 -2.493 -5.412 17.822 1.00 0.00 C ATOM 846 C ASN A 55 -3.637 -5.611 18.825 1.00 0.00 C ATOM 847 O ASN A 55 -3.663 -5.001 19.875 1.00 0.00 O ATOM 848 CB ASN A 55 -1.944 -3.987 17.905 1.00 0.00 C ATOM 849 CG ASN A 55 -0.663 -3.887 17.075 1.00 0.00 C ATOM 850 OD1 ASN A 55 0.419 -4.127 17.573 1.00 0.00 O ATOM 851 ND2 ASN A 55 -0.740 -3.537 15.820 1.00 0.00 N ATOM 0 H ASN A 55 -2.466 -6.294 15.880 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.738 -6.156 18.075 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.685 -3.278 17.537 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.739 -3.724 18.943 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.108 -3.465 15.258 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.648 -3.335 15.402 1.00 0.00 H new ATOM 858 N GLY A 56 -4.566 -6.477 18.526 1.00 0.00 N ATOM 859 CA GLY A 56 -5.684 -6.729 19.483 1.00 0.00 C ATOM 860 C GLY A 56 -6.869 -5.798 19.199 1.00 0.00 C ATOM 861 O GLY A 56 -7.787 -5.701 19.988 1.00 0.00 O ATOM 0 H GLY A 56 -4.601 -7.020 17.663 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.006 -7.768 19.407 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.335 -6.578 20.504 1.00 0.00 H new ATOM 865 N GLU A 57 -6.874 -5.118 18.082 1.00 0.00 N ATOM 866 CA GLU A 57 -8.023 -4.215 17.776 1.00 0.00 C ATOM 867 C GLU A 57 -8.907 -4.850 16.706 1.00 0.00 C ATOM 868 O GLU A 57 -8.693 -4.651 15.529 1.00 0.00 O ATOM 869 CB GLU A 57 -7.401 -2.926 17.243 1.00 0.00 C ATOM 870 CG GLU A 57 -7.234 -1.925 18.389 1.00 0.00 C ATOM 871 CD GLU A 57 -6.952 -0.536 17.815 1.00 0.00 C ATOM 872 OE1 GLU A 57 -7.797 -0.030 17.095 1.00 0.00 O ATOM 873 OE2 GLU A 57 -5.895 0.001 18.105 1.00 0.00 O ATOM 0 H GLU A 57 -6.140 -5.148 17.375 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.643 -4.031 18.653 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.433 -3.138 16.788 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.033 -2.500 16.464 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.136 -1.901 19.000 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.416 -2.234 19.040 1.00 0.00 H new ATOM 880 N ASP A 58 -9.895 -5.615 17.107 1.00 0.00 N ATOM 881 CA ASP A 58 -10.802 -6.280 16.116 1.00 0.00 C ATOM 882 C ASP A 58 -11.193 -5.311 14.993 1.00 0.00 C ATOM 883 O ASP A 58 -12.033 -4.450 15.162 1.00 0.00 O ATOM 884 CB ASP A 58 -12.036 -6.686 16.923 1.00 0.00 C ATOM 885 CG ASP A 58 -12.202 -8.206 16.874 1.00 0.00 C ATOM 886 OD1 ASP A 58 -12.445 -8.721 15.795 1.00 0.00 O ATOM 887 OD2 ASP A 58 -12.084 -8.829 17.916 1.00 0.00 O ATOM 0 H ASP A 58 -10.114 -5.809 18.084 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.321 -7.132 15.635 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.933 -6.354 17.956 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.924 -6.200 16.519 1.00 0.00 H new ATOM 892 N LEU A 59 -10.574 -5.443 13.852 1.00 0.00 N ATOM 893 CA LEU A 59 -10.890 -4.530 12.719 1.00 0.00 C ATOM 894 C LEU A 59 -11.938 -5.158 11.793 1.00 0.00 C ATOM 895 O LEU A 59 -12.518 -4.491 10.960 1.00 0.00 O ATOM 896 CB LEU A 59 -9.562 -4.349 11.977 1.00 0.00 C ATOM 897 CG LEU A 59 -9.029 -2.929 12.194 1.00 0.00 C ATOM 898 CD1 LEU A 59 -10.084 -1.908 11.759 1.00 0.00 C ATOM 899 CD2 LEU A 59 -8.706 -2.725 13.675 1.00 0.00 C ATOM 0 H LEU A 59 -9.861 -6.146 13.656 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.304 -3.582 13.062 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.834 -5.078 12.334 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.703 -4.535 10.912 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.125 -2.790 11.600 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.701 -0.900 11.915 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.314 -2.049 10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.990 -2.047 12.349 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.327 -1.715 13.829 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.610 -2.868 14.267 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.951 -3.447 13.986 1.00 0.00 H new ATOM 911 N SER A 60 -12.188 -6.435 11.927 1.00 0.00 N ATOM 912 CA SER A 60 -13.199 -7.096 11.048 1.00 0.00 C ATOM 913 C SER A 60 -14.507 -6.297 11.042 1.00 0.00 C ATOM 914 O SER A 60 -15.212 -6.251 10.054 1.00 0.00 O ATOM 915 CB SER A 60 -13.417 -8.477 11.666 1.00 0.00 C ATOM 916 OG SER A 60 -14.251 -8.358 12.809 1.00 0.00 O ATOM 0 H SER A 60 -11.737 -7.048 12.606 1.00 0.00 H new ATOM 0 HA SER A 60 -12.865 -7.159 10.012 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.875 -9.145 10.937 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.460 -8.917 11.945 1.00 0.00 H new ATOM 0 HG SER A 60 -14.392 -9.243 13.204 1.00 0.00 H new ATOM 922 N SER A 61 -14.832 -5.666 12.137 1.00 0.00 N ATOM 923 CA SER A 61 -16.091 -4.868 12.192 1.00 0.00 C ATOM 924 C SER A 61 -15.763 -3.372 12.192 1.00 0.00 C ATOM 925 O SER A 61 -16.471 -2.572 12.769 1.00 0.00 O ATOM 926 CB SER A 61 -16.758 -5.273 13.507 1.00 0.00 C ATOM 927 OG SER A 61 -18.129 -4.905 13.475 1.00 0.00 O ATOM 0 H SER A 61 -14.281 -5.668 12.996 1.00 0.00 H new ATOM 0 HA SER A 61 -16.739 -5.052 11.335 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.662 -6.348 13.660 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.259 -4.786 14.345 1.00 0.00 H new ATOM 0 HG SER A 61 -18.208 -3.956 13.243 1.00 0.00 H new ATOM 933 N ALA A 62 -14.691 -2.992 11.549 1.00 0.00 N ATOM 934 CA ALA A 62 -14.313 -1.549 11.514 1.00 0.00 C ATOM 935 C ALA A 62 -14.218 -1.059 10.068 1.00 0.00 C ATOM 936 O ALA A 62 -14.138 -1.842 9.144 1.00 0.00 O ATOM 937 CB ALA A 62 -12.943 -1.489 12.182 1.00 0.00 C ATOM 0 H ALA A 62 -14.061 -3.618 11.047 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.047 -0.919 12.016 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.591 -0.458 12.198 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.020 -1.862 13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.238 -2.105 11.623 1.00 0.00 H new ATOM 943 N THR A 63 -14.221 0.231 9.868 1.00 0.00 N ATOM 944 CA THR A 63 -14.132 0.775 8.480 1.00 0.00 C ATOM 945 C THR A 63 -12.669 0.874 8.039 1.00 0.00 C ATOM 946 O THR A 63 -11.762 0.800 8.843 1.00 0.00 O ATOM 947 CB THR A 63 -14.760 2.168 8.561 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.261 2.844 9.705 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.281 2.042 8.665 1.00 0.00 C ATOM 0 H THR A 63 -14.281 0.933 10.605 1.00 0.00 H new ATOM 0 HA THR A 63 -14.639 0.138 7.755 1.00 0.00 H new ATOM 0 HB THR A 63 -14.506 2.732 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.661 3.737 9.758 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.725 3.036 8.723 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.664 1.524 7.786 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.539 1.477 9.561 1.00 0.00 H new ATOM 957 N HIS A 64 -12.432 1.044 6.765 1.00 0.00 N ATOM 958 CA HIS A 64 -11.027 1.151 6.278 1.00 0.00 C ATOM 959 C HIS A 64 -10.289 2.249 7.055 1.00 0.00 C ATOM 960 O HIS A 64 -9.083 2.213 7.199 1.00 0.00 O ATOM 961 CB HIS A 64 -11.147 1.501 4.787 1.00 0.00 C ATOM 962 CG HIS A 64 -9.797 1.860 4.225 1.00 0.00 C ATOM 963 ND1 HIS A 64 -9.248 1.197 3.141 1.00 0.00 N ATOM 964 CD2 HIS A 64 -8.888 2.828 4.571 1.00 0.00 C ATOM 965 CE1 HIS A 64 -8.062 1.773 2.874 1.00 0.00 C ATOM 966 NE2 HIS A 64 -7.793 2.771 3.717 1.00 0.00 N ATOM 0 H HIS A 64 -13.149 1.113 6.043 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.458 0.232 6.423 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.563 0.655 4.240 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.836 2.335 4.656 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -9.666 0.415 2.637 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.006 3.529 5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.406 1.464 2.073 1.00 0.00 H new ATOM 974 N ASP A 65 -11.001 3.218 7.567 1.00 0.00 N ATOM 975 CA ASP A 65 -10.328 4.299 8.342 1.00 0.00 C ATOM 976 C ASP A 65 -9.904 3.755 9.706 1.00 0.00 C ATOM 977 O ASP A 65 -8.862 4.094 10.228 1.00 0.00 O ATOM 978 CB ASP A 65 -11.382 5.395 8.501 1.00 0.00 C ATOM 979 CG ASP A 65 -11.462 6.215 7.212 1.00 0.00 C ATOM 980 OD1 ASP A 65 -10.420 6.475 6.632 1.00 0.00 O ATOM 981 OD2 ASP A 65 -12.564 6.570 6.826 1.00 0.00 O ATOM 0 H ASP A 65 -12.014 3.307 7.482 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.433 4.677 7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.353 4.952 8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.127 6.041 9.341 1.00 0.00 H new ATOM 986 N GLU A 66 -10.707 2.901 10.276 1.00 0.00 N ATOM 987 CA GLU A 66 -10.360 2.312 11.598 1.00 0.00 C ATOM 988 C GLU A 66 -9.161 1.371 11.446 1.00 0.00 C ATOM 989 O GLU A 66 -8.445 1.100 12.390 1.00 0.00 O ATOM 990 CB GLU A 66 -11.612 1.538 12.017 1.00 0.00 C ATOM 991 CG GLU A 66 -12.516 2.444 12.854 1.00 0.00 C ATOM 992 CD GLU A 66 -12.395 2.063 14.332 1.00 0.00 C ATOM 993 OE1 GLU A 66 -12.878 1.001 14.690 1.00 0.00 O ATOM 994 OE2 GLU A 66 -11.822 2.839 15.078 1.00 0.00 O ATOM 0 H GLU A 66 -11.593 2.585 9.881 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.082 3.063 12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.148 1.187 11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.331 0.655 12.592 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.234 3.487 12.712 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.551 2.346 12.526 1.00 0.00 H new ATOM 1001 N ALA A 67 -8.938 0.871 10.259 1.00 0.00 N ATOM 1002 CA ALA A 67 -7.788 -0.054 10.036 1.00 0.00 C ATOM 1003 C ALA A 67 -6.496 0.738 9.817 1.00 0.00 C ATOM 1004 O ALA A 67 -5.446 0.377 10.311 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.153 -0.837 8.776 1.00 0.00 C ATOM 0 H ALA A 67 -9.504 1.064 9.433 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.615 -0.707 10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.356 -1.542 8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.082 -1.382 8.943 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.282 -0.146 7.943 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.560 1.810 9.076 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.327 2.614 8.826 1.00 0.00 C ATOM 1013 C VAL A 68 -4.950 3.374 10.099 1.00 0.00 C ATOM 1014 O VAL A 68 -3.789 3.594 10.382 1.00 0.00 O ATOM 1015 CB VAL A 68 -5.666 3.607 7.695 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.363 4.122 7.081 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.502 2.938 6.593 1.00 0.00 C ATOM 0 H VAL A 68 -7.408 2.164 8.634 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.486 1.980 8.545 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.247 4.425 8.120 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.591 4.825 6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.773 4.624 7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.795 3.284 6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.723 3.665 5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.942 2.106 6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.435 2.567 7.018 1.00 0.00 H new ATOM 1027 N GLN A 69 -5.925 3.772 10.871 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.622 4.513 12.129 1.00 0.00 C ATOM 1029 C GLN A 69 -4.754 3.652 13.045 1.00 0.00 C ATOM 1030 O GLN A 69 -3.853 4.139 13.698 1.00 0.00 O ATOM 1031 CB GLN A 69 -6.981 4.786 12.774 1.00 0.00 C ATOM 1032 CG GLN A 69 -6.907 6.079 13.591 1.00 0.00 C ATOM 1033 CD GLN A 69 -6.566 5.746 15.046 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -7.060 4.780 15.592 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -5.737 6.513 15.701 1.00 0.00 N ATOM 0 H GLN A 69 -6.916 3.617 10.686 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.074 5.436 11.943 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.750 4.872 12.006 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.265 3.953 13.417 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.151 6.743 13.172 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.859 6.608 13.541 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.322 7.324 15.243 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.504 6.301 16.671 1.00 0.00 H new ATOM 1044 N ALA A 70 -5.006 2.371 13.091 1.00 0.00 N ATOM 1045 CA ALA A 70 -4.178 1.490 13.953 1.00 0.00 C ATOM 1046 C ALA A 70 -2.784 1.374 13.343 1.00 0.00 C ATOM 1047 O ALA A 70 -1.785 1.631 13.983 1.00 0.00 O ATOM 1048 CB ALA A 70 -4.895 0.144 13.931 1.00 0.00 C ATOM 0 H ALA A 70 -5.747 1.902 12.570 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.061 1.863 14.970 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.347 -0.570 14.546 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.904 0.263 14.325 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.946 -0.224 12.906 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.722 1.009 12.095 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.408 0.896 11.412 1.00 0.00 C ATOM 1056 C LEU A 71 -0.669 2.235 11.501 1.00 0.00 C ATOM 1057 O LEU A 71 0.540 2.297 11.402 1.00 0.00 O ATOM 1058 CB LEU A 71 -1.753 0.548 9.962 1.00 0.00 C ATOM 1059 CG LEU A 71 -2.438 -0.818 9.929 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -2.889 -1.135 8.503 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -1.455 -1.888 10.405 1.00 0.00 C ATOM 0 H LEU A 71 -3.531 0.783 11.516 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.756 0.145 11.858 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.409 1.309 9.538 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.849 0.531 9.353 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.308 -0.803 10.585 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.377 -2.110 8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.590 -0.372 8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.022 -1.150 7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.940 -2.864 10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.585 -1.901 9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.138 -1.664 11.423 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.391 3.308 11.701 1.00 0.00 N ATOM 1074 CA LYS A 72 -0.735 4.643 11.812 1.00 0.00 C ATOM 1075 C LYS A 72 -0.148 4.819 13.215 1.00 0.00 C ATOM 1076 O LYS A 72 0.937 5.341 13.385 1.00 0.00 O ATOM 1077 CB LYS A 72 -1.859 5.653 11.571 1.00 0.00 C ATOM 1078 CG LYS A 72 -1.259 7.017 11.220 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.712 6.983 9.792 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.368 8.093 8.968 1.00 0.00 C ATOM 1081 NZ LYS A 72 -0.714 9.349 9.432 1.00 0.00 N ATOM 0 H LYS A 72 -2.407 3.316 11.792 1.00 0.00 H new ATOM 0 HA LYS A 72 0.084 4.767 11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.503 5.309 10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.483 5.737 12.461 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.018 7.794 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.462 7.266 11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.370 7.114 9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.911 6.012 9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.213 7.937 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.445 8.124 9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.442 10.048 9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.128 9.147 10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.115 9.730 8.672 1.00 0.00 H new ATOM 1095 N LYS A 73 -0.859 4.383 14.221 1.00 0.00 N ATOM 1096 CA LYS A 73 -0.351 4.518 15.615 1.00 0.00 C ATOM 1097 C LYS A 73 -0.198 3.132 16.250 1.00 0.00 C ATOM 1098 O LYS A 73 -0.808 2.827 17.257 1.00 0.00 O ATOM 1099 CB LYS A 73 -1.421 5.335 16.342 1.00 0.00 C ATOM 1100 CG LYS A 73 -1.077 5.425 17.829 1.00 0.00 C ATOM 1101 CD LYS A 73 -1.317 6.855 18.322 1.00 0.00 C ATOM 1102 CE LYS A 73 -0.135 7.738 17.921 1.00 0.00 C ATOM 1103 NZ LYS A 73 -0.100 8.818 18.949 1.00 0.00 N ATOM 0 H LYS A 73 -1.773 3.938 14.135 1.00 0.00 H new ATOM 0 HA LYS A 73 0.627 4.997 15.663 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.484 6.335 15.912 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.398 4.870 16.212 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.689 4.725 18.398 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.037 5.143 17.990 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.240 7.248 17.895 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.439 6.862 19.405 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.796 7.172 17.911 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.270 8.149 16.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.686 9.467 18.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.997 9.344 18.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.036 8.397 19.890 1.00 0.00 H new ATOM 1117 N THR A 74 0.608 2.290 15.666 1.00 0.00 N ATOM 1118 CA THR A 74 0.796 0.922 16.231 1.00 0.00 C ATOM 1119 C THR A 74 1.736 0.970 17.439 1.00 0.00 C ATOM 1120 O THR A 74 2.153 2.025 17.875 1.00 0.00 O ATOM 1121 CB THR A 74 1.426 0.110 15.097 1.00 0.00 C ATOM 1122 OG1 THR A 74 2.711 0.639 14.801 1.00 0.00 O ATOM 1123 CG2 THR A 74 0.543 0.187 13.853 1.00 0.00 C ATOM 0 H THR A 74 1.145 2.489 14.822 1.00 0.00 H new ATOM 0 HA THR A 74 -0.142 0.487 16.576 1.00 0.00 H new ATOM 0 HB THR A 74 1.519 -0.931 15.405 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.654 1.211 14.008 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.996 -0.393 13.049 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.443 -0.218 14.081 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.445 1.227 13.540 1.00 0.00 H new ATOM 1131 N GLY A 75 2.074 -0.169 17.979 1.00 0.00 N ATOM 1132 CA GLY A 75 2.988 -0.199 19.155 1.00 0.00 C ATOM 1133 C GLY A 75 4.339 -0.783 18.725 1.00 0.00 C ATOM 1134 O GLY A 75 4.583 -0.992 17.554 1.00 0.00 O ATOM 0 H GLY A 75 1.755 -1.082 17.655 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.123 0.807 19.553 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.555 -0.802 19.953 1.00 0.00 H new ATOM 1138 N LYS A 76 5.220 -1.049 19.658 1.00 0.00 N ATOM 1139 CA LYS A 76 6.551 -1.621 19.289 1.00 0.00 C ATOM 1140 C LYS A 76 6.378 -2.808 18.335 1.00 0.00 C ATOM 1141 O LYS A 76 7.025 -2.896 17.310 1.00 0.00 O ATOM 1142 CB LYS A 76 7.161 -2.084 20.610 1.00 0.00 C ATOM 1143 CG LYS A 76 7.400 -0.874 21.516 1.00 0.00 C ATOM 1144 CD LYS A 76 8.337 -1.268 22.660 1.00 0.00 C ATOM 1145 CE LYS A 76 9.780 -0.944 22.270 1.00 0.00 C ATOM 1146 NZ LYS A 76 10.218 0.083 23.258 1.00 0.00 N ATOM 0 H LYS A 76 5.075 -0.895 20.656 1.00 0.00 H new ATOM 0 HA LYS A 76 7.182 -0.894 18.777 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.495 -2.793 21.101 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.101 -2.605 20.426 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.835 -0.056 20.941 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.452 -0.513 21.916 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.065 -0.731 23.569 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.237 -2.332 22.876 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.411 -1.832 22.315 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.839 -0.563 21.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.201 0.359 23.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.602 0.918 23.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.157 -0.311 24.219 1.00 0.00 H new ATOM 1160 N GLU A 77 5.502 -3.718 18.665 1.00 0.00 N ATOM 1161 CA GLU A 77 5.279 -4.897 17.778 1.00 0.00 C ATOM 1162 C GLU A 77 3.914 -4.781 17.091 1.00 0.00 C ATOM 1163 O GLU A 77 2.887 -4.720 17.737 1.00 0.00 O ATOM 1164 CB GLU A 77 5.334 -6.119 18.705 1.00 0.00 C ATOM 1165 CG GLU A 77 4.121 -6.135 19.643 1.00 0.00 C ATOM 1166 CD GLU A 77 4.407 -7.053 20.832 1.00 0.00 C ATOM 1167 OE1 GLU A 77 4.966 -8.115 20.614 1.00 0.00 O ATOM 1168 OE2 GLU A 77 4.061 -6.679 21.941 1.00 0.00 O ATOM 0 H GLU A 77 4.931 -3.697 19.510 1.00 0.00 H new ATOM 0 HA GLU A 77 6.024 -4.971 16.986 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.354 -7.033 18.111 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.254 -6.098 19.290 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.905 -5.126 19.993 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.238 -6.482 19.107 1.00 0.00 H new ATOM 1175 N VAL A 78 3.895 -4.742 15.786 1.00 0.00 N ATOM 1176 CA VAL A 78 2.595 -4.621 15.067 1.00 0.00 C ATOM 1177 C VAL A 78 2.005 -6.005 14.777 1.00 0.00 C ATOM 1178 O VAL A 78 2.130 -6.527 13.687 1.00 0.00 O ATOM 1179 CB VAL A 78 2.931 -3.890 13.765 1.00 0.00 C ATOM 1180 CG1 VAL A 78 1.690 -3.816 12.879 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.404 -2.474 14.083 1.00 0.00 C ATOM 0 H VAL A 78 4.721 -4.789 15.189 1.00 0.00 H new ATOM 0 HA VAL A 78 1.849 -4.086 15.655 1.00 0.00 H new ATOM 0 HB VAL A 78 3.719 -4.433 13.243 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.934 -3.295 11.953 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.347 -4.825 12.648 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.901 -3.276 13.402 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.643 -1.953 13.156 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.615 -1.936 14.608 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.292 -2.520 14.713 1.00 0.00 H new ATOM 1191 N VAL A 79 1.346 -6.594 15.738 1.00 0.00 N ATOM 1192 CA VAL A 79 0.730 -7.938 15.508 1.00 0.00 C ATOM 1193 C VAL A 79 -0.549 -7.746 14.698 1.00 0.00 C ATOM 1194 O VAL A 79 -1.531 -7.253 15.205 1.00 0.00 O ATOM 1195 CB VAL A 79 0.385 -8.499 16.900 1.00 0.00 C ATOM 1196 CG1 VAL A 79 0.206 -10.016 16.801 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.499 -8.189 17.907 1.00 0.00 C ATOM 0 H VAL A 79 1.206 -6.206 16.671 1.00 0.00 H new ATOM 0 HA VAL A 79 1.395 -8.613 14.969 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.536 -8.030 17.245 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.038 -10.418 17.784 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.602 -10.242 16.105 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.131 -10.469 16.443 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.231 -8.596 18.882 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.431 -8.641 17.569 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.627 -7.110 17.987 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.553 -8.103 13.446 1.00 0.00 N ATOM 1208 CA LEU A 80 -1.789 -7.889 12.637 1.00 0.00 C ATOM 1209 C LEU A 80 -2.425 -9.214 12.222 1.00 0.00 C ATOM 1210 O LEU A 80 -1.865 -9.972 11.451 1.00 0.00 O ATOM 1211 CB LEU A 80 -1.343 -7.110 11.391 1.00 0.00 C ATOM 1212 CG LEU A 80 -0.426 -5.935 11.774 1.00 0.00 C ATOM 1213 CD1 LEU A 80 -0.214 -5.044 10.549 1.00 0.00 C ATOM 1214 CD2 LEU A 80 -1.058 -5.104 12.896 1.00 0.00 C ATOM 0 H LEU A 80 0.231 -8.527 12.951 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.540 -7.350 13.216 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.818 -7.778 10.709 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.218 -6.735 10.860 1.00 0.00 H new ATOM 0 HG LEU A 80 0.528 -6.331 12.122 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.435 -4.209 10.814 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.250 -5.625 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.175 -4.661 10.207 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.396 -4.278 13.154 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.017 -4.709 12.560 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.211 -5.733 13.773 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.613 -9.480 12.695 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.302 -10.730 12.284 1.00 0.00 C ATOM 1228 C GLU A 81 -4.642 -10.597 10.804 1.00 0.00 C ATOM 1229 O GLU A 81 -5.257 -9.632 10.392 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.571 -10.794 13.129 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.068 -12.239 13.196 1.00 0.00 C ATOM 1232 CD GLU A 81 -5.161 -13.047 14.125 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -5.224 -12.824 15.323 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -4.420 -13.876 13.623 1.00 0.00 O ATOM 0 H GLU A 81 -4.131 -8.888 13.344 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.703 -11.629 12.426 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.371 -10.420 14.133 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.340 -10.153 12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.095 -12.265 13.560 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.072 -12.680 12.199 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.219 -11.518 9.991 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.495 -11.380 8.533 1.00 0.00 C ATOM 1243 C VAL A 82 -5.282 -12.566 7.980 1.00 0.00 C ATOM 1244 O VAL A 82 -5.045 -13.705 8.316 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.103 -11.276 7.876 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.180 -12.375 8.402 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.220 -11.428 6.361 1.00 0.00 C ATOM 0 H VAL A 82 -3.700 -12.352 10.265 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.117 -10.509 8.326 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.689 -10.298 8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.202 -12.287 7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.070 -12.272 9.482 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.608 -13.351 8.172 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.230 -11.353 5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.653 -12.400 6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.860 -10.640 5.965 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.192 -12.285 7.090 1.00 0.00 N ATOM 1258 CA LYS A 83 -6.983 -13.363 6.445 1.00 0.00 C ATOM 1259 C LYS A 83 -6.488 -13.495 5.005 1.00 0.00 C ATOM 1260 O LYS A 83 -7.056 -12.939 4.085 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.436 -12.885 6.485 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.355 -14.012 6.010 1.00 0.00 C ATOM 1263 CD LYS A 83 -10.739 -13.840 6.637 1.00 0.00 C ATOM 1264 CE LYS A 83 -11.664 -14.956 6.147 1.00 0.00 C ATOM 1265 NZ LYS A 83 -11.645 -14.841 4.661 1.00 0.00 N ATOM 0 H LYS A 83 -6.422 -11.341 6.780 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.888 -14.332 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.704 -12.585 7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.559 -12.008 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.432 -13.999 4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.936 -14.979 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.663 -13.867 7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.152 -12.867 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.311 -15.934 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.673 -14.835 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.578 -15.100 4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.421 -13.862 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.923 -15.481 4.272 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.402 -14.191 4.816 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.827 -14.332 3.449 1.00 0.00 C ATOM 1281 C TYR A 84 -5.891 -14.777 2.445 1.00 0.00 C ATOM 1282 O TYR A 84 -6.502 -15.816 2.590 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.744 -15.410 3.581 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.570 -15.156 2.642 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.640 -14.192 1.616 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.394 -15.896 2.812 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.541 -13.981 0.779 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -0.298 -15.684 1.972 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.370 -14.726 0.955 1.00 0.00 C ATOM 1290 OH TYR A 84 0.714 -14.515 0.128 1.00 0.00 O ATOM 0 H TYR A 84 -4.885 -14.671 5.553 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.431 -13.385 3.083 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.386 -15.440 4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.176 -16.387 3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.543 -13.616 1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.334 -16.635 3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.596 -13.241 -0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.605 -16.260 2.108 1.00 0.00 H new ATOM 0 HH TYR A 84 1.315 -13.859 0.538 1.00 0.00 H new ATOM 1300 N MET A 85 -6.101 -14.006 1.414 1.00 0.00 N ATOM 1301 CA MET A 85 -7.105 -14.397 0.387 1.00 0.00 C ATOM 1302 C MET A 85 -6.389 -15.093 -0.770 1.00 0.00 C ATOM 1303 O MET A 85 -6.583 -14.771 -1.926 1.00 0.00 O ATOM 1304 CB MET A 85 -7.744 -13.088 -0.077 1.00 0.00 C ATOM 1305 CG MET A 85 -8.425 -12.407 1.111 1.00 0.00 C ATOM 1306 SD MET A 85 -10.175 -12.867 1.149 1.00 0.00 S ATOM 1307 CE MET A 85 -10.612 -11.964 2.653 1.00 0.00 C ATOM 0 H MET A 85 -5.621 -13.123 1.239 1.00 0.00 H new ATOM 0 HA MET A 85 -7.857 -15.086 0.772 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.985 -12.430 -0.502 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.472 -13.285 -0.864 1.00 0.00 H new ATOM 0 HG2 MET A 85 -7.940 -12.704 2.041 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.324 -11.325 1.030 1.00 0.00 H new ATOM 0 HE1 MET A 85 -11.615 -12.249 2.970 1.00 0.00 H new ATOM 0 HE2 MET A 85 -9.900 -12.206 3.442 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.584 -10.892 2.455 1.00 0.00 H new ATOM 1317 N LYS A 86 -5.553 -16.043 -0.456 1.00 0.00 N ATOM 1318 CA LYS A 86 -4.802 -16.769 -1.520 1.00 0.00 C ATOM 1319 C LYS A 86 -5.574 -18.019 -1.957 1.00 0.00 C ATOM 1320 O LYS A 86 -6.676 -17.863 -2.458 1.00 0.00 O ATOM 1321 CB LYS A 86 -3.471 -17.156 -0.871 1.00 0.00 C ATOM 1322 CG LYS A 86 -2.416 -17.368 -1.957 1.00 0.00 C ATOM 1323 CD LYS A 86 -1.116 -17.862 -1.319 1.00 0.00 C ATOM 1324 CE LYS A 86 -1.243 -19.351 -0.987 1.00 0.00 C ATOM 1325 NZ LYS A 86 -0.290 -19.573 0.137 1.00 0.00 N ATOM 1326 OXT LYS A 86 -5.051 -19.106 -1.785 1.00 0.00 O ATOM 0 H LYS A 86 -5.356 -16.350 0.497 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.658 -16.160 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.149 -16.374 -0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.592 -18.066 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.773 -18.093 -2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.239 -16.436 -2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.280 -17.700 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.904 -17.294 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.262 -19.606 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.991 -19.971 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.318 -20.572 0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.673 -19.328 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.559 -18.974 0.944 1.00 0.00 H new TER 1340 LYS A 86 ATOM 1341 N LYS B 3 -10.085 2.807 -1.495 1.00 0.00 N ATOM 1342 CA LYS B 3 -9.195 3.774 -0.789 1.00 0.00 C ATOM 1343 C LYS B 3 -7.729 3.483 -1.117 1.00 0.00 C ATOM 1344 O LYS B 3 -6.988 4.355 -1.524 1.00 0.00 O ATOM 1345 CB LYS B 3 -9.456 3.543 0.699 1.00 0.00 C ATOM 1346 CG LYS B 3 -10.283 4.700 1.264 1.00 0.00 C ATOM 1347 CD LYS B 3 -10.125 4.739 2.783 1.00 0.00 C ATOM 1348 CE LYS B 3 -10.731 6.026 3.340 1.00 0.00 C ATOM 1349 NZ LYS B 3 -9.597 6.721 4.012 1.00 0.00 N ATOM 0 HA LYS B 3 -9.393 4.804 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -9.985 2.601 0.843 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -8.511 3.463 1.236 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -9.955 5.644 0.828 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -11.333 4.575 0.999 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -10.615 3.874 3.230 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -9.069 4.680 3.048 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -11.156 6.639 2.545 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -11.536 5.812 4.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -9.831 6.879 5.013 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -8.741 6.134 3.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -9.426 7.636 3.548 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.303 2.263 -0.934 1.00 0.00 N ATOM 1364 CA GLU B 4 -5.883 1.916 -1.224 1.00 0.00 C ATOM 1365 C GLU B 4 -4.954 2.860 -0.455 1.00 0.00 C ATOM 1366 O GLU B 4 -3.958 3.327 -0.971 1.00 0.00 O ATOM 1367 CB GLU B 4 -5.722 2.111 -2.734 1.00 0.00 C ATOM 1368 CG GLU B 4 -5.087 0.859 -3.343 1.00 0.00 C ATOM 1369 CD GLU B 4 -4.093 1.269 -4.431 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -4.494 1.989 -5.332 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -2.948 0.856 -4.347 1.00 0.00 O ATOM 0 H GLU B 4 -7.878 1.491 -0.596 1.00 0.00 H new ATOM 0 HA GLU B 4 -5.632 0.899 -0.922 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.692 2.300 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.099 2.983 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -4.579 0.283 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -5.859 0.215 -3.765 1.00 0.00 H new ATOM 1378 N SER B 5 -5.281 3.149 0.777 1.00 0.00 N ATOM 1379 CA SER B 5 -4.430 4.071 1.586 1.00 0.00 C ATOM 1380 C SER B 5 -2.993 3.549 1.672 1.00 0.00 C ATOM 1381 O SER B 5 -2.614 2.623 0.980 1.00 0.00 O ATOM 1382 CB SER B 5 -5.075 4.087 2.971 1.00 0.00 C ATOM 1383 OG SER B 5 -6.008 5.156 3.046 1.00 0.00 O ATOM 0 H SER B 5 -6.103 2.785 1.259 1.00 0.00 H new ATOM 0 HA SER B 5 -4.374 5.066 1.144 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.577 3.138 3.161 1.00 0.00 H new ATOM 0 HB3 SER B 5 -4.310 4.203 3.739 1.00 0.00 H new ATOM 0 HG SER B 5 -6.896 4.801 3.262 1.00 0.00 H new ATOM 1389 N LEU B 6 -2.191 4.139 2.518 1.00 0.00 N ATOM 1390 CA LEU B 6 -0.777 3.686 2.653 1.00 0.00 C ATOM 1391 C LEU B 6 -0.225 4.084 4.029 1.00 0.00 C ATOM 1392 O LEU B 6 -0.128 5.250 4.354 1.00 0.00 O ATOM 1393 CB LEU B 6 -0.023 4.415 1.538 1.00 0.00 C ATOM 1394 CG LEU B 6 1.482 4.168 1.678 1.00 0.00 C ATOM 1395 CD1 LEU B 6 1.792 2.708 1.345 1.00 0.00 C ATOM 1396 CD2 LEU B 6 2.244 5.083 0.716 1.00 0.00 C ATOM 0 H LEU B 6 -2.455 4.917 3.122 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.677 2.604 2.572 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.369 4.066 0.565 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.231 5.484 1.585 1.00 0.00 H new ATOM 0 HG LEU B 6 1.790 4.382 2.702 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.863 2.532 1.444 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.252 2.056 2.031 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.483 2.495 0.322 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.315 4.906 0.817 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.936 4.872 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.024 6.124 0.953 1.00 0.00 H new ATOM 1408 N VAL B 7 0.140 3.124 4.835 1.00 0.00 N ATOM 1409 CA VAL B 7 0.689 3.454 6.183 1.00 0.00 C ATOM 1410 C VAL B 7 2.197 3.189 6.218 1.00 0.00 C ATOM 1411 O VAL B 7 2.836 3.630 7.159 1.00 0.00 O ATOM 1412 CB VAL B 7 -0.041 2.520 7.148 1.00 0.00 C ATOM 1413 CG1 VAL B 7 0.457 2.771 8.573 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.546 2.786 7.079 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.688 2.551 5.301 1.00 0.00 O ATOM 0 H VAL B 7 0.082 2.129 4.620 1.00 0.00 H new ATOM 0 HA VAL B 7 0.544 4.503 6.443 1.00 0.00 H new ATOM 0 HB VAL B 7 0.156 1.485 6.870 1.00 0.00 H new ATOM 0 HG11 VAL B 7 -0.063 2.106 9.263 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.529 2.580 8.623 1.00 0.00 H new ATOM 0 HG13 VAL B 7 0.260 3.807 8.850 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -2.065 2.119 7.768 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -1.746 3.821 7.356 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -1.901 2.607 6.064 1.00 0.00 H new TER 1425 VAL B 7