USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 619 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 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 19:sc= -7.27! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.212 X(o=-0.21,f=-0.63) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 52 MET CE :methyl -119:sc= -0.0641 (180deg=-0.549) USER MOD Single : A 54 GLN : amide:sc= -0.969 K(o=-0.97,f=-4.3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 72 SER OG : rot -140:sc= -2.76! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.853 11.552 2.085 1.00 0.00 N ATOM 2 CA ALA A 1 17.499 11.108 0.818 1.00 0.00 C ATOM 3 C ALA A 1 16.967 9.727 0.430 1.00 0.00 C ATOM 4 O ALA A 1 17.558 8.716 0.747 1.00 0.00 O ATOM 5 CB ALA A 1 19.014 11.035 1.017 1.00 0.00 C ATOM 0 H1 ALA A 1 17.215 12.491 2.349 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.823 11.603 1.950 1.00 0.00 H new ATOM 0 H3 ALA A 1 17.070 10.872 2.842 1.00 0.00 H new ATOM 0 HA ALA A 1 17.271 11.820 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 1 19.487 10.710 0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 1 19.393 12.019 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 1 19.243 10.323 1.810 1.00 0.00 H new ATOM 13 N GLU A 2 15.852 9.685 -0.251 1.00 0.00 N ATOM 14 CA GLU A 2 15.262 8.377 -0.667 1.00 0.00 C ATOM 15 C GLU A 2 15.388 7.363 0.475 1.00 0.00 C ATOM 16 O GLU A 2 15.661 7.715 1.605 1.00 0.00 O ATOM 17 CB GLU A 2 15.972 7.872 -1.939 1.00 0.00 C ATOM 18 CG GLU A 2 17.113 6.904 -1.592 1.00 0.00 C ATOM 19 CD GLU A 2 18.142 6.904 -2.724 1.00 0.00 C ATOM 20 OE1 GLU A 2 17.902 6.237 -3.716 1.00 0.00 O ATOM 21 OE2 GLU A 2 19.153 7.571 -2.579 1.00 0.00 O ATOM 0 H GLU A 2 15.321 10.507 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 2 14.203 8.505 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.252 7.372 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.368 8.720 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.586 7.202 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.719 5.899 -1.444 1.00 0.00 H new ATOM 28 N ILE A 3 15.172 6.108 0.193 1.00 0.00 N ATOM 29 CA ILE A 3 15.265 5.084 1.264 1.00 0.00 C ATOM 30 C ILE A 3 15.917 3.817 0.707 1.00 0.00 C ATOM 31 O ILE A 3 16.467 3.810 -0.376 1.00 0.00 O ATOM 32 CB ILE A 3 13.868 4.722 1.777 1.00 0.00 C ATOM 33 CG1 ILE A 3 12.772 5.508 1.024 1.00 0.00 C ATOM 34 CG2 ILE A 3 13.791 5.024 3.276 1.00 0.00 C ATOM 35 CD1 ILE A 3 12.537 6.872 1.681 1.00 0.00 C ATOM 0 H ILE A 3 14.936 5.750 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 3 15.862 5.492 2.080 1.00 0.00 H new ATOM 0 HB ILE A 3 13.696 3.660 1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 3 13.066 5.646 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 3 11.844 4.936 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.799 4.769 3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 3 14.540 4.434 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 3 13.980 6.084 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 3 11.762 7.410 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 3 12.221 6.729 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 3 13.461 7.449 1.661 1.00 0.00 H new ATOM 47 N GLU A 4 15.846 2.739 1.442 1.00 0.00 N ATOM 48 CA GLU A 4 16.444 1.461 0.964 1.00 0.00 C ATOM 49 C GLU A 4 15.352 0.390 0.904 1.00 0.00 C ATOM 50 O GLU A 4 14.485 0.330 1.752 1.00 0.00 O ATOM 51 CB GLU A 4 17.543 1.016 1.931 1.00 0.00 C ATOM 52 CG GLU A 4 18.278 -0.192 1.347 1.00 0.00 C ATOM 53 CD GLU A 4 19.499 -0.514 2.210 1.00 0.00 C ATOM 54 OE1 GLU A 4 20.329 0.364 2.378 1.00 0.00 O ATOM 55 OE2 GLU A 4 19.583 -1.633 2.690 1.00 0.00 O ATOM 0 H GLU A 4 15.397 2.690 2.357 1.00 0.00 H new ATOM 0 HA GLU A 4 16.874 1.605 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 4 18.244 1.833 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 4 17.110 0.759 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 4 17.610 -1.053 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 4 18.588 0.018 0.323 1.00 0.00 H new ATOM 62 N VAL A 5 15.381 -0.451 -0.093 1.00 0.00 N ATOM 63 CA VAL A 5 14.337 -1.509 -0.204 1.00 0.00 C ATOM 64 C VAL A 5 14.679 -2.673 0.730 1.00 0.00 C ATOM 65 O VAL A 5 15.801 -2.822 1.172 1.00 0.00 O ATOM 66 CB VAL A 5 14.259 -1.993 -1.661 1.00 0.00 C ATOM 67 CG1 VAL A 5 13.733 -3.433 -1.725 1.00 0.00 C ATOM 68 CG2 VAL A 5 13.307 -1.078 -2.430 1.00 0.00 C ATOM 0 H VAL A 5 16.081 -0.452 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 5 13.368 -1.104 0.088 1.00 0.00 H new ATOM 0 HB VAL A 5 15.256 -1.966 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.685 -3.757 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.403 -4.090 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.737 -3.476 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.242 -1.409 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.318 -1.116 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.682 -0.055 -2.399 1.00 0.00 H new ATOM 78 N GLY A 6 13.713 -3.497 1.033 1.00 0.00 N ATOM 79 CA GLY A 6 13.973 -4.651 1.938 1.00 0.00 C ATOM 80 C GLY A 6 13.581 -4.275 3.367 1.00 0.00 C ATOM 81 O GLY A 6 13.589 -5.098 4.260 1.00 0.00 O ATOM 0 H GLY A 6 12.755 -3.420 0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.403 -5.520 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 6 15.027 -4.927 1.899 1.00 0.00 H new ATOM 85 N ARG A 7 13.241 -3.034 3.591 1.00 0.00 N ATOM 86 CA ARG A 7 12.853 -2.608 4.965 1.00 0.00 C ATOM 87 C ARG A 7 11.328 -2.585 5.085 1.00 0.00 C ATOM 88 O ARG A 7 10.616 -2.670 4.104 1.00 0.00 O ATOM 89 CB ARG A 7 13.403 -1.206 5.232 1.00 0.00 C ATOM 90 CG ARG A 7 13.345 -0.908 6.730 1.00 0.00 C ATOM 91 CD ARG A 7 14.502 0.017 7.105 1.00 0.00 C ATOM 92 NE ARG A 7 15.412 -0.685 8.052 1.00 0.00 N ATOM 93 CZ ARG A 7 16.669 -0.849 7.748 1.00 0.00 C ATOM 94 NH1 ARG A 7 17.513 0.132 7.913 1.00 0.00 N ATOM 95 NH2 ARG A 7 17.083 -1.994 7.278 1.00 0.00 N ATOM 0 H ARG A 7 13.215 -2.299 2.884 1.00 0.00 H new ATOM 0 HA ARG A 7 13.262 -3.309 5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 7 14.431 -1.134 4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.823 -0.466 4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.393 -0.440 6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.406 -1.835 7.300 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.049 0.313 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.119 0.930 7.561 1.00 0.00 H new ATOM 0 HE ARG A 7 15.052 -1.038 8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.189 1.027 8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.497 0.004 7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.423 -2.761 7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.067 -2.122 7.040 1.00 0.00 H new ATOM 109 N VAL A 8 10.823 -2.465 6.283 1.00 0.00 N ATOM 110 CA VAL A 8 9.345 -2.430 6.474 1.00 0.00 C ATOM 111 C VAL A 8 8.870 -0.979 6.397 1.00 0.00 C ATOM 112 O VAL A 8 9.599 -0.063 6.721 1.00 0.00 O ATOM 113 CB VAL A 8 8.999 -3.012 7.846 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.547 -2.683 8.194 1.00 0.00 C ATOM 115 CG2 VAL A 8 9.183 -4.530 7.812 1.00 0.00 C ATOM 0 H VAL A 8 11.372 -2.390 7.139 1.00 0.00 H new ATOM 0 HA VAL A 8 8.854 -3.019 5.699 1.00 0.00 H new ATOM 0 HB VAL A 8 9.657 -2.579 8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.304 -3.099 9.172 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.414 -1.601 8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.886 -3.114 7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.937 -4.948 8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.524 -4.960 7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.219 -4.766 7.567 1.00 0.00 H new ATOM 125 N TYR A 9 7.658 -0.753 5.965 1.00 0.00 N ATOM 126 CA TYR A 9 7.167 0.651 5.870 1.00 0.00 C ATOM 127 C TYR A 9 5.743 0.754 6.410 1.00 0.00 C ATOM 128 O TYR A 9 4.860 0.026 6.006 1.00 0.00 O ATOM 129 CB TYR A 9 7.168 1.099 4.409 1.00 0.00 C ATOM 130 CG TYR A 9 8.541 1.589 4.030 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.606 0.686 3.945 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.748 2.947 3.762 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.880 1.141 3.593 1.00 0.00 C ATOM 134 CE2 TYR A 9 10.022 3.402 3.410 1.00 0.00 C ATOM 135 CZ TYR A 9 11.088 2.498 3.325 1.00 0.00 C ATOM 136 OH TYR A 9 12.343 2.944 2.980 1.00 0.00 O ATOM 0 H TYR A 9 6.994 -1.471 5.677 1.00 0.00 H new ATOM 0 HA TYR A 9 7.827 1.287 6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.876 0.270 3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.435 1.892 4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.444 -0.362 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.924 3.643 3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.703 0.445 3.528 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.184 4.450 3.204 1.00 0.00 H new ATOM 0 HH TYR A 9 12.887 2.188 2.676 1.00 0.00 H new ATOM 146 N THR A 10 5.505 1.679 7.295 1.00 0.00 N ATOM 147 CA THR A 10 4.130 1.856 7.831 1.00 0.00 C ATOM 148 C THR A 10 3.312 2.584 6.767 1.00 0.00 C ATOM 149 O THR A 10 3.442 3.777 6.578 1.00 0.00 O ATOM 150 CB THR A 10 4.178 2.692 9.111 1.00 0.00 C ATOM 151 OG1 THR A 10 5.253 2.245 9.925 1.00 0.00 O ATOM 152 CG2 THR A 10 2.859 2.536 9.869 1.00 0.00 C ATOM 0 H THR A 10 6.204 2.320 7.670 1.00 0.00 H new ATOM 0 HA THR A 10 3.681 0.891 8.066 1.00 0.00 H new ATOM 0 HB THR A 10 4.327 3.742 8.858 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.287 2.780 10.745 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.891 3.131 10.782 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.036 2.878 9.242 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.708 1.487 10.125 1.00 0.00 H new ATOM 160 N GLY A 11 2.495 1.872 6.046 1.00 0.00 N ATOM 161 CA GLY A 11 1.701 2.522 4.968 1.00 0.00 C ATOM 162 C GLY A 11 0.440 3.169 5.540 1.00 0.00 C ATOM 163 O GLY A 11 -0.463 2.498 6.002 1.00 0.00 O ATOM 0 H GLY A 11 2.342 0.869 6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.308 3.277 4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.427 1.783 4.215 1.00 0.00 H new ATOM 167 N LYS A 12 0.364 4.470 5.485 1.00 0.00 N ATOM 168 CA LYS A 12 -0.845 5.172 5.995 1.00 0.00 C ATOM 169 C LYS A 12 -1.842 5.288 4.847 1.00 0.00 C ATOM 170 O LYS A 12 -1.468 5.300 3.692 1.00 0.00 O ATOM 171 CB LYS A 12 -0.473 6.576 6.481 1.00 0.00 C ATOM 172 CG LYS A 12 0.971 6.582 6.988 1.00 0.00 C ATOM 173 CD LYS A 12 1.123 7.649 8.073 1.00 0.00 C ATOM 174 CE LYS A 12 2.144 8.694 7.623 1.00 0.00 C ATOM 175 NZ LYS A 12 1.493 10.033 7.574 1.00 0.00 N ATOM 0 H LYS A 12 1.090 5.078 5.107 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.274 4.615 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.586 7.294 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.149 6.886 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.232 5.602 7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.656 6.784 6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.162 8.125 8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.445 7.189 9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.989 8.713 8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.539 8.433 6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.186 10.745 7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.701 10.009 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.137 10.281 8.519 1.00 0.00 H new ATOM 189 N VAL A 13 -3.104 5.376 5.137 1.00 0.00 N ATOM 190 CA VAL A 13 -4.092 5.480 4.036 1.00 0.00 C ATOM 191 C VAL A 13 -4.268 6.947 3.660 1.00 0.00 C ATOM 192 O VAL A 13 -4.714 7.755 4.450 1.00 0.00 O ATOM 193 CB VAL A 13 -5.431 4.912 4.498 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.486 5.149 3.416 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.289 3.411 4.758 1.00 0.00 C ATOM 0 H VAL A 13 -3.493 5.381 6.080 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.739 4.917 3.172 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.738 5.409 5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.443 4.743 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.588 6.219 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.180 4.654 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.246 3.007 5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.981 2.910 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.539 3.245 5.531 1.00 0.00 H new ATOM 205 N THR A 14 -3.908 7.300 2.459 1.00 0.00 N ATOM 206 CA THR A 14 -4.040 8.718 2.031 1.00 0.00 C ATOM 207 C THR A 14 -4.837 8.785 0.723 1.00 0.00 C ATOM 208 O THR A 14 -4.966 9.831 0.119 1.00 0.00 O ATOM 209 CB THR A 14 -2.644 9.325 1.824 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.319 9.304 0.442 1.00 0.00 O ATOM 211 CG2 THR A 14 -1.601 8.520 2.607 1.00 0.00 C ATOM 0 H THR A 14 -3.528 6.667 1.755 1.00 0.00 H new ATOM 0 HA THR A 14 -4.565 9.284 2.801 1.00 0.00 H new ATOM 0 HB THR A 14 -2.645 10.354 2.184 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.429 9.693 0.309 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.614 8.957 2.454 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.847 8.541 3.669 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.599 7.488 2.255 1.00 0.00 H new ATOM 219 N ARG A 15 -5.379 7.677 0.287 1.00 0.00 N ATOM 220 CA ARG A 15 -6.174 7.677 -0.978 1.00 0.00 C ATOM 221 C ARG A 15 -6.729 6.271 -1.236 1.00 0.00 C ATOM 222 O ARG A 15 -6.130 5.281 -0.868 1.00 0.00 O ATOM 223 CB ARG A 15 -5.278 8.095 -2.151 1.00 0.00 C ATOM 224 CG ARG A 15 -5.423 9.597 -2.397 1.00 0.00 C ATOM 225 CD ARG A 15 -4.058 10.273 -2.249 1.00 0.00 C ATOM 226 NE ARG A 15 -3.296 10.137 -3.522 1.00 0.00 N ATOM 227 CZ ARG A 15 -1.997 10.016 -3.494 1.00 0.00 C ATOM 228 NH1 ARG A 15 -1.455 8.842 -3.313 1.00 0.00 N ATOM 229 NH2 ARG A 15 -1.240 11.067 -3.647 1.00 0.00 N ATOM 0 H ARG A 15 -5.306 6.772 0.752 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.000 8.382 -0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.238 7.851 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.554 7.541 -3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.823 9.776 -3.395 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.132 10.026 -1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.187 11.326 -2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.502 9.818 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.789 10.138 -4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.047 8.020 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.440 8.747 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.663 11.984 -3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.225 10.972 -3.625 1.00 0.00 H new ATOM 243 N ILE A 16 -7.869 6.183 -1.872 1.00 0.00 N ATOM 244 CA ILE A 16 -8.474 4.850 -2.174 1.00 0.00 C ATOM 245 C ILE A 16 -9.092 4.907 -3.570 1.00 0.00 C ATOM 246 O ILE A 16 -9.405 5.969 -4.070 1.00 0.00 O ATOM 247 CB ILE A 16 -9.556 4.522 -1.143 1.00 0.00 C ATOM 248 CG1 ILE A 16 -8.940 4.534 0.255 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.136 3.131 -1.428 1.00 0.00 C ATOM 250 CD1 ILE A 16 -9.979 4.069 1.276 1.00 0.00 C ATOM 0 H ILE A 16 -8.411 6.983 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.708 4.076 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.351 5.265 -1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.068 3.881 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.595 5.538 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.906 2.900 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.572 3.116 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.342 2.386 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.539 4.078 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.838 4.740 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.302 3.057 1.031 1.00 0.00 H new ATOM 262 N VAL A 17 -9.265 3.786 -4.216 1.00 0.00 N ATOM 263 CA VAL A 17 -9.854 3.822 -5.585 1.00 0.00 C ATOM 264 C VAL A 17 -10.915 2.718 -5.732 1.00 0.00 C ATOM 265 O VAL A 17 -10.855 1.692 -5.086 1.00 0.00 O ATOM 266 CB VAL A 17 -8.734 3.645 -6.637 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.376 3.974 -6.024 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.684 2.209 -7.135 1.00 0.00 C ATOM 0 H VAL A 17 -9.028 2.859 -3.862 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.337 4.786 -5.746 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.952 4.319 -7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.597 3.845 -6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.375 5.006 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.184 3.306 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.889 2.108 -7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.488 1.540 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.639 1.949 -7.591 1.00 0.00 H new ATOM 278 N ASP A 18 -11.876 2.909 -6.589 1.00 0.00 N ATOM 279 CA ASP A 18 -12.914 1.857 -6.774 1.00 0.00 C ATOM 280 C ASP A 18 -12.233 0.553 -7.205 1.00 0.00 C ATOM 281 O ASP A 18 -12.579 -0.521 -6.753 1.00 0.00 O ATOM 282 CB ASP A 18 -13.904 2.303 -7.853 1.00 0.00 C ATOM 283 CG ASP A 18 -15.304 1.797 -7.503 1.00 0.00 C ATOM 284 OD1 ASP A 18 -15.494 0.592 -7.501 1.00 0.00 O ATOM 285 OD2 ASP A 18 -16.164 2.623 -7.244 1.00 0.00 O ATOM 0 H ASP A 18 -11.989 3.742 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.451 1.697 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.908 3.390 -7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.598 1.915 -8.825 1.00 0.00 H new ATOM 290 N PHE A 19 -11.268 0.643 -8.080 1.00 0.00 N ATOM 291 CA PHE A 19 -10.557 -0.582 -8.554 1.00 0.00 C ATOM 292 C PHE A 19 -9.344 -0.872 -7.663 1.00 0.00 C ATOM 293 O PHE A 19 -8.367 -1.438 -8.112 1.00 0.00 O ATOM 294 CB PHE A 19 -10.063 -0.354 -9.985 1.00 0.00 C ATOM 295 CG PHE A 19 -9.393 0.996 -10.057 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.065 1.142 -9.635 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.106 2.106 -10.524 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.452 2.401 -9.681 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.492 3.363 -10.567 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.166 3.509 -10.144 1.00 0.00 C ATOM 0 H PHE A 19 -10.939 1.517 -8.490 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.247 -1.425 -8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.363 -1.139 -10.273 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.898 -0.399 -10.684 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.515 0.285 -9.275 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.129 1.993 -10.851 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.428 2.515 -9.359 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.042 4.220 -10.927 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.694 4.480 -10.176 1.00 0.00 H new ATOM 310 N GLY A 20 -9.376 -0.492 -6.413 1.00 0.00 N ATOM 311 CA GLY A 20 -8.196 -0.763 -5.543 1.00 0.00 C ATOM 312 C GLY A 20 -8.084 0.283 -4.426 1.00 0.00 C ATOM 313 O GLY A 20 -9.058 0.858 -3.991 1.00 0.00 O ATOM 0 H GLY A 20 -10.156 -0.013 -5.963 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.282 -1.758 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.287 -0.756 -6.145 1.00 0.00 H new ATOM 317 N ALA A 21 -6.890 0.528 -3.957 1.00 0.00 N ATOM 318 CA ALA A 21 -6.696 1.528 -2.873 1.00 0.00 C ATOM 319 C ALA A 21 -5.299 2.125 -2.995 1.00 0.00 C ATOM 320 O ALA A 21 -4.368 1.468 -3.405 1.00 0.00 O ATOM 321 CB ALA A 21 -6.824 0.849 -1.508 1.00 0.00 C ATOM 0 H ALA A 21 -6.036 0.074 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.452 2.308 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.681 1.588 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.815 0.405 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.067 0.070 -1.417 1.00 0.00 H new ATOM 327 N PHE A 22 -5.147 3.367 -2.644 1.00 0.00 N ATOM 328 CA PHE A 22 -3.814 4.017 -2.727 1.00 0.00 C ATOM 329 C PHE A 22 -3.264 4.190 -1.309 1.00 0.00 C ATOM 330 O PHE A 22 -4.004 4.176 -0.345 1.00 0.00 O ATOM 331 CB PHE A 22 -3.966 5.383 -3.397 1.00 0.00 C ATOM 332 CG PHE A 22 -4.100 5.209 -4.895 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.257 3.930 -5.452 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.059 6.330 -5.729 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.373 3.776 -6.837 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.172 6.176 -7.117 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.330 4.898 -7.669 1.00 0.00 C ATOM 0 H PHE A 22 -5.897 3.966 -2.299 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.128 3.405 -3.312 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.843 5.896 -3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.102 6.007 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.288 3.063 -4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.940 7.315 -5.303 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.496 2.791 -7.263 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.137 7.042 -7.761 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.419 4.780 -8.739 1.00 0.00 H new ATOM 347 N VAL A 23 -1.977 4.337 -1.166 1.00 0.00 N ATOM 348 CA VAL A 23 -1.403 4.489 0.200 1.00 0.00 C ATOM 349 C VAL A 23 -0.168 5.396 0.148 1.00 0.00 C ATOM 350 O VAL A 23 0.407 5.615 -0.898 1.00 0.00 O ATOM 351 CB VAL A 23 -1.019 3.102 0.723 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.103 3.234 1.937 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.287 2.350 1.130 1.00 0.00 C ATOM 0 H VAL A 23 -1.301 4.358 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.136 4.944 0.866 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.496 2.556 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.164 2.242 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.802 3.772 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.620 3.782 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.020 1.361 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.804 2.906 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.942 2.246 0.265 1.00 0.00 H new ATOM 363 N ALA A 24 0.244 5.927 1.269 1.00 0.00 N ATOM 364 CA ALA A 24 1.442 6.816 1.275 1.00 0.00 C ATOM 365 C ALA A 24 2.292 6.518 2.515 1.00 0.00 C ATOM 366 O ALA A 24 1.778 6.120 3.539 1.00 0.00 O ATOM 367 CB ALA A 24 0.994 8.280 1.302 1.00 0.00 C ATOM 0 H ALA A 24 -0.196 5.784 2.178 1.00 0.00 H new ATOM 0 HA ALA A 24 2.033 6.635 0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.870 8.929 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.390 8.492 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.403 8.463 2.199 1.00 0.00 H new ATOM 373 N ILE A 25 3.587 6.707 2.443 1.00 0.00 N ATOM 374 CA ILE A 25 4.438 6.427 3.638 1.00 0.00 C ATOM 375 C ILE A 25 5.020 7.736 4.175 1.00 0.00 C ATOM 376 O ILE A 25 5.732 7.751 5.160 1.00 0.00 O ATOM 377 CB ILE A 25 5.584 5.485 3.257 1.00 0.00 C ATOM 378 CG1 ILE A 25 6.181 5.914 1.915 1.00 0.00 C ATOM 379 CG2 ILE A 25 5.066 4.051 3.147 1.00 0.00 C ATOM 380 CD1 ILE A 25 7.302 4.951 1.523 1.00 0.00 C ATOM 0 H ILE A 25 4.086 7.039 1.618 1.00 0.00 H new ATOM 0 HA ILE A 25 3.823 5.956 4.405 1.00 0.00 H new ATOM 0 HB ILE A 25 6.352 5.532 4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.408 5.921 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.569 6.930 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.887 3.387 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.650 3.740 4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.292 4.002 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.727 5.257 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.079 4.967 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.900 3.942 1.435 1.00 0.00 H new ATOM 392 N GLY A 26 4.725 8.837 3.540 1.00 0.00 N ATOM 393 CA GLY A 26 5.263 10.140 4.021 1.00 0.00 C ATOM 394 C GLY A 26 6.774 10.191 3.786 1.00 0.00 C ATOM 395 O GLY A 26 7.456 9.188 3.854 1.00 0.00 O ATOM 0 H GLY A 26 4.135 8.890 2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.776 10.962 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.046 10.265 5.082 1.00 0.00 H new ATOM 399 N GLY A 27 7.301 11.352 3.509 1.00 0.00 N ATOM 400 CA GLY A 27 8.768 11.468 3.270 1.00 0.00 C ATOM 401 C GLY A 27 9.033 11.677 1.777 1.00 0.00 C ATOM 402 O GLY A 27 10.159 11.863 1.357 1.00 0.00 O ATOM 0 H GLY A 27 6.779 12.226 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.174 12.302 3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.275 10.567 3.617 1.00 0.00 H new ATOM 406 N GLY A 28 8.007 11.649 0.971 1.00 0.00 N ATOM 407 CA GLY A 28 8.202 11.846 -0.494 1.00 0.00 C ATOM 408 C GLY A 28 7.927 10.533 -1.229 1.00 0.00 C ATOM 409 O GLY A 28 8.059 10.446 -2.434 1.00 0.00 O ATOM 0 H GLY A 28 7.042 11.498 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.533 12.626 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.220 12.180 -0.694 1.00 0.00 H new ATOM 413 N LYS A 29 7.546 9.509 -0.515 1.00 0.00 N ATOM 414 CA LYS A 29 7.266 8.204 -1.174 1.00 0.00 C ATOM 415 C LYS A 29 5.897 7.692 -0.725 1.00 0.00 C ATOM 416 O LYS A 29 5.494 7.868 0.411 1.00 0.00 O ATOM 417 CB LYS A 29 8.347 7.198 -0.782 1.00 0.00 C ATOM 418 CG LYS A 29 9.714 7.882 -0.839 1.00 0.00 C ATOM 419 CD LYS A 29 10.785 6.856 -1.211 1.00 0.00 C ATOM 420 CE LYS A 29 10.649 6.490 -2.690 1.00 0.00 C ATOM 421 NZ LYS A 29 11.603 5.395 -3.020 1.00 0.00 N ATOM 0 H LYS A 29 7.417 9.521 0.497 1.00 0.00 H new ATOM 0 HA LYS A 29 7.266 8.331 -2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.159 6.817 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.327 6.342 -1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.698 8.688 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.947 8.333 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.777 7.263 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.679 5.964 -0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.628 6.175 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.851 7.362 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.511 5.146 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.575 5.712 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.390 4.561 -2.436 1.00 0.00 H new ATOM 435 N GLU A 30 5.171 7.065 -1.606 1.00 0.00 N ATOM 436 CA GLU A 30 3.832 6.557 -1.216 1.00 0.00 C ATOM 437 C GLU A 30 3.678 5.093 -1.628 1.00 0.00 C ATOM 438 O GLU A 30 4.360 4.604 -2.503 1.00 0.00 O ATOM 439 CB GLU A 30 2.748 7.392 -1.902 1.00 0.00 C ATOM 440 CG GLU A 30 3.097 8.877 -1.794 1.00 0.00 C ATOM 441 CD GLU A 30 3.219 9.476 -3.196 1.00 0.00 C ATOM 442 OE1 GLU A 30 3.652 8.765 -4.088 1.00 0.00 O ATOM 443 OE2 GLU A 30 2.878 10.637 -3.355 1.00 0.00 O ATOM 0 H GLU A 30 5.445 6.884 -2.572 1.00 0.00 H new ATOM 0 HA GLU A 30 3.729 6.634 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.662 7.104 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.780 7.201 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.327 9.402 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.033 9.003 -1.251 1.00 0.00 H new ATOM 450 N GLY A 31 2.770 4.398 -1.002 1.00 0.00 N ATOM 451 CA GLY A 31 2.538 2.968 -1.346 1.00 0.00 C ATOM 452 C GLY A 31 1.198 2.848 -2.071 1.00 0.00 C ATOM 453 O GLY A 31 0.564 3.837 -2.379 1.00 0.00 O ATOM 0 H GLY A 31 2.173 4.763 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.344 2.596 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.535 2.358 -0.443 1.00 0.00 H new ATOM 457 N LEU A 32 0.752 1.655 -2.348 1.00 0.00 N ATOM 458 CA LEU A 32 -0.554 1.512 -3.049 1.00 0.00 C ATOM 459 C LEU A 32 -1.237 0.208 -2.654 1.00 0.00 C ATOM 460 O LEU A 32 -0.703 -0.867 -2.846 1.00 0.00 O ATOM 461 CB LEU A 32 -0.349 1.499 -4.557 1.00 0.00 C ATOM 462 CG LEU A 32 -1.683 1.843 -5.211 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.571 3.201 -5.880 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.057 0.789 -6.252 1.00 0.00 C ATOM 0 H LEU A 32 1.229 0.782 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.176 2.360 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.415 2.221 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.003 0.520 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.459 1.866 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.521 3.454 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.323 3.955 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.788 3.170 -6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.012 1.051 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.286 0.748 -7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.140 -0.185 -5.770 1.00 0.00 H new ATOM 476 N VAL A 33 -2.434 0.287 -2.148 1.00 0.00 N ATOM 477 CA VAL A 33 -3.167 -0.951 -1.794 1.00 0.00 C ATOM 478 C VAL A 33 -4.112 -1.280 -2.948 1.00 0.00 C ATOM 479 O VAL A 33 -5.318 -1.288 -2.798 1.00 0.00 O ATOM 480 CB VAL A 33 -3.982 -0.734 -0.520 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.699 -2.033 -0.149 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.052 -0.323 0.622 1.00 0.00 C ATOM 0 H VAL A 33 -2.934 1.157 -1.965 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.464 -1.766 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.716 0.054 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.281 -1.880 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.364 -2.326 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.963 -2.819 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.636 -0.169 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.316 -1.109 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.540 0.602 0.359 1.00 0.00 H new ATOM 492 N HIS A 34 -3.585 -1.534 -4.112 1.00 0.00 N ATOM 493 CA HIS A 34 -4.481 -1.848 -5.251 1.00 0.00 C ATOM 494 C HIS A 34 -5.491 -2.906 -4.787 1.00 0.00 C ATOM 495 O HIS A 34 -5.274 -3.594 -3.810 1.00 0.00 O ATOM 496 CB HIS A 34 -3.666 -2.381 -6.432 1.00 0.00 C ATOM 497 CG HIS A 34 -4.429 -2.150 -7.709 1.00 0.00 C ATOM 498 ND1 HIS A 34 -4.609 -3.149 -8.653 1.00 0.00 N ATOM 499 CD2 HIS A 34 -5.068 -1.041 -8.212 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.328 -2.628 -9.664 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.635 -1.346 -9.446 1.00 0.00 N ATOM 0 H HIS A 34 -2.586 -1.537 -4.320 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.002 -0.948 -5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.699 -1.880 -6.477 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.468 -3.445 -6.301 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.260 -4.105 -8.592 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.122 -0.079 -7.724 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.621 -3.179 -10.545 1.00 0.00 H new ATOM 509 N ILE A 35 -6.594 -3.029 -5.463 1.00 0.00 N ATOM 510 CA ILE A 35 -7.622 -4.025 -5.050 1.00 0.00 C ATOM 511 C ILE A 35 -6.966 -5.387 -4.804 1.00 0.00 C ATOM 512 O ILE A 35 -7.176 -6.011 -3.782 1.00 0.00 O ATOM 513 CB ILE A 35 -8.671 -4.148 -6.156 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.585 -5.341 -5.867 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.972 -4.358 -7.501 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.468 -5.027 -4.658 1.00 0.00 C ATOM 0 H ILE A 35 -6.832 -2.480 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.097 -3.694 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.266 -3.236 -6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.205 -5.557 -6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.987 -6.232 -5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.719 -4.446 -8.290 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.322 -3.508 -7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.376 -5.270 -7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.119 -5.877 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.839 -4.833 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.076 -4.147 -4.870 1.00 0.00 H new ATOM 528 N SER A 36 -6.181 -5.858 -5.734 1.00 0.00 N ATOM 529 CA SER A 36 -5.519 -7.184 -5.555 1.00 0.00 C ATOM 530 C SER A 36 -4.262 -7.042 -4.687 1.00 0.00 C ATOM 531 O SER A 36 -3.243 -7.643 -4.965 1.00 0.00 O ATOM 532 CB SER A 36 -5.127 -7.741 -6.924 1.00 0.00 C ATOM 533 OG SER A 36 -6.215 -7.584 -7.825 1.00 0.00 O ATOM 0 H SER A 36 -5.969 -5.383 -6.611 1.00 0.00 H new ATOM 0 HA SER A 36 -6.215 -7.862 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.248 -7.220 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.860 -8.794 -6.838 1.00 0.00 H new ATOM 0 HG SER A 36 -5.966 -7.939 -8.704 1.00 0.00 H new ATOM 539 N GLN A 37 -4.314 -6.258 -3.642 1.00 0.00 N ATOM 540 CA GLN A 37 -3.106 -6.099 -2.780 1.00 0.00 C ATOM 541 C GLN A 37 -3.521 -5.796 -1.336 1.00 0.00 C ATOM 542 O GLN A 37 -3.071 -4.834 -0.747 1.00 0.00 O ATOM 543 CB GLN A 37 -2.255 -4.945 -3.313 1.00 0.00 C ATOM 544 CG GLN A 37 -2.145 -5.058 -4.835 1.00 0.00 C ATOM 545 CD GLN A 37 -1.187 -3.988 -5.364 1.00 0.00 C ATOM 546 OE1 GLN A 37 -0.940 -2.997 -4.706 1.00 0.00 O ATOM 547 NE2 GLN A 37 -0.631 -4.149 -6.534 1.00 0.00 N ATOM 0 H GLN A 37 -5.133 -5.725 -3.350 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.532 -7.025 -2.798 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.704 -3.990 -3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.263 -4.971 -2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.786 -6.050 -5.111 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.128 -4.937 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.838 -4.981 -7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.010 -3.443 -6.895 1.00 0.00 H new ATOM 556 N ILE A 38 -4.369 -6.603 -0.755 1.00 0.00 N ATOM 557 CA ILE A 38 -4.788 -6.337 0.652 1.00 0.00 C ATOM 558 C ILE A 38 -4.390 -7.513 1.546 1.00 0.00 C ATOM 559 O ILE A 38 -3.261 -7.621 1.981 1.00 0.00 O ATOM 560 CB ILE A 38 -6.303 -6.132 0.727 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.674 -4.797 0.079 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.730 -6.112 2.197 1.00 0.00 C ATOM 563 CD1 ILE A 38 -6.244 -4.802 -1.387 1.00 0.00 C ATOM 0 H ILE A 38 -4.786 -7.427 -1.189 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.288 -5.432 0.997 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.808 -6.943 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.749 -4.632 0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.188 -3.977 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.808 -5.966 2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.463 -7.059 2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.223 -5.296 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.509 -3.850 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.166 -4.947 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.750 -5.612 -1.912 1.00 0.00 H new ATOM 575 N ALA A 39 -5.312 -8.387 1.832 1.00 0.00 N ATOM 576 CA ALA A 39 -4.997 -9.549 2.707 1.00 0.00 C ATOM 577 C ALA A 39 -5.395 -10.846 2.002 1.00 0.00 C ATOM 578 O ALA A 39 -6.167 -10.842 1.064 1.00 0.00 O ATOM 579 CB ALA A 39 -5.785 -9.423 4.012 1.00 0.00 C ATOM 0 H ALA A 39 -6.274 -8.347 1.496 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.928 -9.565 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.558 -10.272 4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.506 -8.498 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.853 -9.409 3.792 1.00 0.00 H new ATOM 585 N ASP A 40 -4.881 -11.958 2.450 1.00 0.00 N ATOM 586 CA ASP A 40 -5.241 -13.251 1.807 1.00 0.00 C ATOM 587 C ASP A 40 -6.758 -13.317 1.632 1.00 0.00 C ATOM 588 O ASP A 40 -7.261 -13.887 0.684 1.00 0.00 O ATOM 589 CB ASP A 40 -4.779 -14.409 2.694 1.00 0.00 C ATOM 590 CG ASP A 40 -3.295 -14.680 2.446 1.00 0.00 C ATOM 591 OD1 ASP A 40 -2.993 -15.418 1.524 1.00 0.00 O ATOM 592 OD2 ASP A 40 -2.485 -14.142 3.183 1.00 0.00 O ATOM 0 H ASP A 40 -4.229 -12.026 3.231 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.755 -13.326 0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.945 -14.166 3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.364 -15.303 2.478 1.00 0.00 H new ATOM 597 N LYS A 41 -7.493 -12.733 2.540 1.00 0.00 N ATOM 598 CA LYS A 41 -8.978 -12.758 2.429 1.00 0.00 C ATOM 599 C LYS A 41 -9.410 -11.940 1.211 1.00 0.00 C ATOM 600 O LYS A 41 -8.841 -10.910 0.908 1.00 0.00 O ATOM 601 CB LYS A 41 -9.595 -12.155 3.693 1.00 0.00 C ATOM 602 CG LYS A 41 -9.066 -12.898 4.922 1.00 0.00 C ATOM 603 CD LYS A 41 -9.058 -11.953 6.126 1.00 0.00 C ATOM 604 CE LYS A 41 -10.400 -12.043 6.856 1.00 0.00 C ATOM 605 NZ LYS A 41 -10.901 -10.669 7.143 1.00 0.00 N ATOM 0 H LYS A 41 -7.128 -12.239 3.354 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.317 -13.788 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.349 -11.095 3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.682 -12.227 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.691 -13.766 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.059 -13.269 4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.246 -12.217 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.879 -10.929 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.123 -12.585 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.284 -12.601 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.813 -10.729 7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.214 -10.167 7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.026 -10.151 6.250 1.00 0.00 H new ATOM 619 N ARG A 42 -10.411 -12.391 0.508 1.00 0.00 N ATOM 620 CA ARG A 42 -10.878 -11.640 -0.690 1.00 0.00 C ATOM 621 C ARG A 42 -11.348 -10.247 -0.269 1.00 0.00 C ATOM 622 O ARG A 42 -12.323 -10.099 0.441 1.00 0.00 O ATOM 623 CB ARG A 42 -12.042 -12.391 -1.341 1.00 0.00 C ATOM 624 CG ARG A 42 -11.551 -13.738 -1.871 1.00 0.00 C ATOM 625 CD ARG A 42 -12.751 -14.588 -2.289 1.00 0.00 C ATOM 626 NE ARG A 42 -13.485 -13.905 -3.391 1.00 0.00 N ATOM 627 CZ ARG A 42 -14.582 -14.427 -3.865 1.00 0.00 C ATOM 628 NH1 ARG A 42 -14.537 -15.552 -4.526 1.00 0.00 N ATOM 629 NH2 ARG A 42 -15.725 -13.826 -3.677 1.00 0.00 N ATOM 0 H ARG A 42 -10.926 -13.248 0.711 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.058 -11.549 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.841 -12.544 -0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.460 -11.799 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.886 -13.586 -2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.975 -14.255 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.416 -15.572 -2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.414 -14.743 -1.438 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.130 -13.029 -3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.644 -16.023 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.395 -15.960 -4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.760 -12.948 -3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.583 -14.234 -4.048 1.00 0.00 H new ATOM 643 N VAL A 43 -10.668 -9.223 -0.708 1.00 0.00 N ATOM 644 CA VAL A 43 -11.082 -7.843 -0.340 1.00 0.00 C ATOM 645 C VAL A 43 -11.817 -7.216 -1.523 1.00 0.00 C ATOM 646 O VAL A 43 -11.462 -6.155 -1.994 1.00 0.00 O ATOM 647 CB VAL A 43 -9.849 -7.002 -0.001 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.272 -5.553 0.243 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.187 -7.554 1.263 1.00 0.00 C ATOM 0 H VAL A 43 -9.844 -9.284 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.737 -7.878 0.530 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.144 -7.043 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.394 -4.953 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.747 -5.156 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.977 -5.515 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.309 -6.955 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.894 -7.513 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.886 -8.588 1.094 1.00 0.00 H new ATOM 659 N GLU A 44 -12.844 -7.865 -2.005 1.00 0.00 N ATOM 660 CA GLU A 44 -13.605 -7.305 -3.156 1.00 0.00 C ATOM 661 C GLU A 44 -13.821 -5.810 -2.926 1.00 0.00 C ATOM 662 O GLU A 44 -13.957 -5.039 -3.854 1.00 0.00 O ATOM 663 CB GLU A 44 -14.959 -8.010 -3.263 1.00 0.00 C ATOM 664 CG GLU A 44 -15.583 -7.713 -4.628 1.00 0.00 C ATOM 665 CD GLU A 44 -16.749 -6.739 -4.456 1.00 0.00 C ATOM 666 OE1 GLU A 44 -16.494 -5.590 -4.135 1.00 0.00 O ATOM 667 OE2 GLU A 44 -17.879 -7.159 -4.647 1.00 0.00 O ATOM 0 H GLU A 44 -13.187 -8.758 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.047 -7.458 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.832 -9.085 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.622 -7.671 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.835 -7.287 -5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.932 -8.637 -5.089 1.00 0.00 H new ATOM 674 N LYS A 45 -13.842 -5.398 -1.690 1.00 0.00 N ATOM 675 CA LYS A 45 -14.036 -3.955 -1.387 1.00 0.00 C ATOM 676 C LYS A 45 -12.727 -3.380 -0.846 1.00 0.00 C ATOM 677 O LYS A 45 -12.273 -3.745 0.221 1.00 0.00 O ATOM 678 CB LYS A 45 -15.135 -3.797 -0.334 1.00 0.00 C ATOM 679 CG LYS A 45 -16.461 -3.470 -1.022 1.00 0.00 C ATOM 680 CD LYS A 45 -16.934 -2.083 -0.580 1.00 0.00 C ATOM 681 CE LYS A 45 -18.456 -1.996 -0.705 1.00 0.00 C ATOM 682 NZ LYS A 45 -19.030 -1.497 0.576 1.00 0.00 N ATOM 0 H LYS A 45 -13.733 -6.001 -0.875 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.326 -3.424 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.231 -4.715 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.871 -3.004 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.338 -3.497 -2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.210 -4.220 -0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.632 -1.896 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.464 -1.315 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.727 -1.328 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.869 -2.976 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.065 -1.437 0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.782 -2.151 1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.645 -0.554 0.785 1.00 0.00 H new ATOM 696 N VAL A 46 -12.117 -2.480 -1.566 1.00 0.00 N ATOM 697 CA VAL A 46 -10.837 -1.887 -1.072 1.00 0.00 C ATOM 698 C VAL A 46 -11.162 -0.844 -0.010 1.00 0.00 C ATOM 699 O VAL A 46 -10.357 -0.538 0.845 1.00 0.00 O ATOM 700 CB VAL A 46 -10.038 -1.226 -2.208 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.673 -1.911 -2.320 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.776 -1.354 -3.543 1.00 0.00 C ATOM 0 H VAL A 46 -12.443 -2.130 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.224 -2.687 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.917 -0.167 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.099 -1.449 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.133 -1.803 -1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.814 -2.970 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.190 -0.879 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.916 -2.408 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.748 -0.866 -3.470 1.00 0.00 H new ATOM 712 N THR A 47 -12.344 -0.304 -0.053 1.00 0.00 N ATOM 713 CA THR A 47 -12.735 0.712 0.963 1.00 0.00 C ATOM 714 C THR A 47 -13.055 0.009 2.287 1.00 0.00 C ATOM 715 O THR A 47 -13.422 0.639 3.260 1.00 0.00 O ATOM 716 CB THR A 47 -13.972 1.472 0.477 1.00 0.00 C ATOM 717 OG1 THR A 47 -14.877 0.561 -0.131 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.552 2.534 -0.540 1.00 0.00 C ATOM 0 H THR A 47 -13.059 -0.521 -0.748 1.00 0.00 H new ATOM 0 HA THR A 47 -11.914 1.414 1.111 1.00 0.00 H new ATOM 0 HB THR A 47 -14.459 1.956 1.324 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.670 1.046 -0.441 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.433 3.075 -0.886 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.858 3.232 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.065 2.053 -1.388 1.00 0.00 H new ATOM 726 N ASP A 48 -12.914 -1.291 2.337 1.00 0.00 N ATOM 727 CA ASP A 48 -13.205 -2.025 3.603 1.00 0.00 C ATOM 728 C ASP A 48 -11.898 -2.236 4.365 1.00 0.00 C ATOM 729 O ASP A 48 -11.841 -2.106 5.571 1.00 0.00 O ATOM 730 CB ASP A 48 -13.832 -3.386 3.284 1.00 0.00 C ATOM 731 CG ASP A 48 -15.207 -3.177 2.649 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.492 -2.059 2.255 1.00 0.00 O ATOM 733 OD2 ASP A 48 -15.953 -4.140 2.568 1.00 0.00 O ATOM 0 H ASP A 48 -12.611 -1.874 1.557 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.901 -1.445 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.188 -3.945 2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.926 -3.978 4.195 1.00 0.00 H new ATOM 738 N TYR A 49 -10.846 -2.554 3.664 1.00 0.00 N ATOM 739 CA TYR A 49 -9.537 -2.769 4.336 1.00 0.00 C ATOM 740 C TYR A 49 -8.789 -1.438 4.407 1.00 0.00 C ATOM 741 O TYR A 49 -7.996 -1.202 5.297 1.00 0.00 O ATOM 742 CB TYR A 49 -8.711 -3.766 3.530 1.00 0.00 C ATOM 743 CG TYR A 49 -9.364 -5.123 3.597 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.634 -5.318 3.040 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.696 -6.188 4.211 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.237 -6.578 3.099 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.298 -7.450 4.268 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.570 -7.645 3.713 1.00 0.00 C ATOM 749 OH TYR A 49 -11.163 -8.890 3.769 1.00 0.00 O ATOM 0 H TYR A 49 -10.838 -2.674 2.651 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.699 -3.158 5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.634 -3.438 2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.696 -3.818 3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.148 -4.495 2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.717 -6.036 4.641 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.217 -6.728 2.671 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.782 -8.274 4.740 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.749 -9.009 2.992 1.00 0.00 H new ATOM 759 N LEU A 50 -9.039 -0.568 3.469 1.00 0.00 N ATOM 760 CA LEU A 50 -8.349 0.752 3.464 1.00 0.00 C ATOM 761 C LEU A 50 -9.302 1.828 3.977 1.00 0.00 C ATOM 762 O LEU A 50 -10.452 1.896 3.593 1.00 0.00 O ATOM 763 CB LEU A 50 -7.911 1.096 2.031 1.00 0.00 C ATOM 764 CG LEU A 50 -6.410 0.810 1.802 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.625 2.117 1.896 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.865 -0.178 2.843 1.00 0.00 C ATOM 0 H LEU A 50 -9.695 -0.715 2.702 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.473 0.706 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.503 0.517 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.114 2.148 1.832 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.296 0.367 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.566 1.918 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.983 2.812 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.765 2.555 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.807 -0.358 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.989 0.240 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.411 -1.119 2.773 1.00 0.00 H new ATOM 778 N GLN A 51 -8.822 2.671 4.844 1.00 0.00 N ATOM 779 CA GLN A 51 -9.687 3.754 5.395 1.00 0.00 C ATOM 780 C GLN A 51 -8.871 5.041 5.515 1.00 0.00 C ATOM 781 O GLN A 51 -7.705 5.014 5.843 1.00 0.00 O ATOM 782 CB GLN A 51 -10.199 3.347 6.779 1.00 0.00 C ATOM 783 CG GLN A 51 -11.730 3.341 6.778 1.00 0.00 C ATOM 784 CD GLN A 51 -12.243 3.467 8.214 1.00 0.00 C ATOM 785 OE1 GLN A 51 -11.658 2.923 9.130 1.00 0.00 O ATOM 786 NE2 GLN A 51 -13.319 4.167 8.451 1.00 0.00 N ATOM 0 H GLN A 51 -7.865 2.659 5.198 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.534 3.917 4.729 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.821 2.359 7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.828 4.041 7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.107 4.165 6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.100 2.420 6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.810 4.624 7.682 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.669 4.257 9.405 1.00 0.00 H new ATOM 795 N MET A 52 -9.473 6.168 5.254 1.00 0.00 N ATOM 796 CA MET A 52 -8.723 7.453 5.359 1.00 0.00 C ATOM 797 C MET A 52 -8.373 7.720 6.824 1.00 0.00 C ATOM 798 O MET A 52 -9.153 8.281 7.567 1.00 0.00 O ATOM 799 CB MET A 52 -9.591 8.595 4.824 1.00 0.00 C ATOM 800 CG MET A 52 -9.442 8.678 3.304 1.00 0.00 C ATOM 801 SD MET A 52 -10.636 9.868 2.646 1.00 0.00 S ATOM 802 CE MET A 52 -12.097 8.806 2.759 1.00 0.00 C ATOM 0 H MET A 52 -10.450 6.256 4.973 1.00 0.00 H new ATOM 0 HA MET A 52 -7.806 7.389 4.773 1.00 0.00 H new ATOM 0 HB2 MET A 52 -10.635 8.428 5.089 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.293 9.538 5.282 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.428 8.982 3.043 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.606 7.697 2.858 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.516 8.656 1.764 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.814 7.842 3.183 1.00 0.00 H new ATOM 0 HE3 MET A 52 -12.842 9.279 3.398 1.00 0.00 H new ATOM 812 N GLY A 53 -7.204 7.319 7.246 1.00 0.00 N ATOM 813 CA GLY A 53 -6.805 7.547 8.665 1.00 0.00 C ATOM 814 C GLY A 53 -6.250 6.248 9.253 1.00 0.00 C ATOM 815 O GLY A 53 -5.561 6.252 10.254 1.00 0.00 O ATOM 0 H GLY A 53 -6.509 6.844 6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.053 8.334 8.721 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.664 7.884 9.246 1.00 0.00 H new ATOM 819 N GLN A 54 -6.548 5.136 8.639 1.00 0.00 N ATOM 820 CA GLN A 54 -6.041 3.835 9.160 1.00 0.00 C ATOM 821 C GLN A 54 -4.585 3.641 8.730 1.00 0.00 C ATOM 822 O GLN A 54 -4.260 3.693 7.561 1.00 0.00 O ATOM 823 CB GLN A 54 -6.893 2.696 8.594 1.00 0.00 C ATOM 824 CG GLN A 54 -8.063 2.417 9.538 1.00 0.00 C ATOM 825 CD GLN A 54 -7.531 1.869 10.863 1.00 0.00 C ATOM 826 OE1 GLN A 54 -6.337 1.737 11.043 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.372 1.543 11.805 1.00 0.00 N ATOM 0 H GLN A 54 -7.121 5.072 7.798 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.100 3.833 10.248 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.265 2.963 7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.286 1.798 8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.630 3.332 9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.747 1.700 9.084 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.375 1.654 11.654 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.027 1.177 12.693 1.00 0.00 H new ATOM 836 N GLU A 55 -3.706 3.413 9.668 1.00 0.00 N ATOM 837 CA GLU A 55 -2.271 3.212 9.314 1.00 0.00 C ATOM 838 C GLU A 55 -1.921 1.729 9.463 1.00 0.00 C ATOM 839 O GLU A 55 -2.001 1.170 10.538 1.00 0.00 O ATOM 840 CB GLU A 55 -1.389 4.040 10.255 1.00 0.00 C ATOM 841 CG GLU A 55 -2.139 5.304 10.687 1.00 0.00 C ATOM 842 CD GLU A 55 -1.370 5.992 11.817 1.00 0.00 C ATOM 843 OE1 GLU A 55 -0.245 6.400 11.579 1.00 0.00 O ATOM 844 OE2 GLU A 55 -1.919 6.098 12.902 1.00 0.00 O ATOM 0 H GLU A 55 -3.919 3.357 10.664 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.100 3.530 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.119 3.449 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.460 4.310 9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.248 5.982 9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.144 5.047 11.021 1.00 0.00 H new ATOM 851 N VAL A 56 -1.539 1.084 8.393 1.00 0.00 N ATOM 852 CA VAL A 56 -1.192 -0.364 8.485 1.00 0.00 C ATOM 853 C VAL A 56 0.270 -0.575 8.079 1.00 0.00 C ATOM 854 O VAL A 56 0.812 0.182 7.296 1.00 0.00 O ATOM 855 CB VAL A 56 -2.100 -1.167 7.552 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.558 -0.979 7.973 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.915 -0.675 6.115 1.00 0.00 C ATOM 0 H VAL A 56 -1.452 1.495 7.463 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.332 -0.702 9.512 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.840 -2.224 7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.205 -1.551 7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.689 -1.329 8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.820 0.077 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.561 -1.246 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.176 0.382 6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.876 -0.809 5.815 1.00 0.00 H new ATOM 867 N PRO A 57 0.863 -1.604 8.630 1.00 0.00 N ATOM 868 CA PRO A 57 2.266 -1.956 8.353 1.00 0.00 C ATOM 869 C PRO A 57 2.382 -2.681 7.009 1.00 0.00 C ATOM 870 O PRO A 57 1.536 -3.475 6.645 1.00 0.00 O ATOM 871 CB PRO A 57 2.635 -2.892 9.508 1.00 0.00 C ATOM 872 CG PRO A 57 1.303 -3.469 10.045 1.00 0.00 C ATOM 873 CD PRO A 57 0.188 -2.512 9.581 1.00 0.00 C ATOM 0 HA PRO A 57 2.920 -1.087 8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.294 -3.690 9.166 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.168 -2.352 10.291 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.134 -4.475 9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.323 -3.542 11.132 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.629 -3.054 9.103 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.241 -1.963 10.420 1.00 0.00 H new ATOM 881 N VAL A 58 3.427 -2.421 6.272 1.00 0.00 N ATOM 882 CA VAL A 58 3.599 -3.102 4.958 1.00 0.00 C ATOM 883 C VAL A 58 5.080 -3.438 4.750 1.00 0.00 C ATOM 884 O VAL A 58 5.909 -3.196 5.606 1.00 0.00 O ATOM 885 CB VAL A 58 3.090 -2.189 3.827 1.00 0.00 C ATOM 886 CG1 VAL A 58 1.949 -1.314 4.348 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.221 -1.287 3.315 1.00 0.00 C ATOM 0 H VAL A 58 4.168 -1.767 6.523 1.00 0.00 H new ATOM 0 HA VAL A 58 3.020 -4.026 4.945 1.00 0.00 H new ATOM 0 HB VAL A 58 2.735 -2.815 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.590 -0.669 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.134 -1.948 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.309 -0.701 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.844 -0.649 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.590 -0.667 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.034 -1.904 2.933 1.00 0.00 H new ATOM 897 N LYS A 59 5.417 -3.991 3.618 1.00 0.00 N ATOM 898 CA LYS A 59 6.840 -4.341 3.354 1.00 0.00 C ATOM 899 C LYS A 59 7.227 -3.877 1.949 1.00 0.00 C ATOM 900 O LYS A 59 6.555 -4.177 0.983 1.00 0.00 O ATOM 901 CB LYS A 59 7.015 -5.858 3.451 1.00 0.00 C ATOM 902 CG LYS A 59 7.745 -6.206 4.748 1.00 0.00 C ATOM 903 CD LYS A 59 9.189 -6.596 4.431 1.00 0.00 C ATOM 904 CE LYS A 59 9.405 -8.072 4.770 1.00 0.00 C ATOM 905 NZ LYS A 59 10.729 -8.239 5.434 1.00 0.00 N ATOM 0 H LYS A 59 4.768 -4.216 2.864 1.00 0.00 H new ATOM 0 HA LYS A 59 7.478 -3.850 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.042 -6.349 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.580 -6.225 2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.728 -5.354 5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.238 -7.027 5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.402 -6.419 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.879 -5.976 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.610 -8.426 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.362 -8.675 3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.877 -9.242 5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.482 -7.916 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.753 -7.675 6.308 1.00 0.00 H new ATOM 919 N VAL A 60 8.307 -3.154 1.825 1.00 0.00 N ATOM 920 CA VAL A 60 8.737 -2.684 0.477 1.00 0.00 C ATOM 921 C VAL A 60 8.875 -3.888 -0.449 1.00 0.00 C ATOM 922 O VAL A 60 9.928 -4.484 -0.557 1.00 0.00 O ATOM 923 CB VAL A 60 10.082 -1.965 0.592 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.506 -1.451 -0.784 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.946 -0.785 1.556 1.00 0.00 C ATOM 0 H VAL A 60 8.909 -2.869 2.597 1.00 0.00 H new ATOM 0 HA VAL A 60 7.996 -1.994 0.072 1.00 0.00 H new ATOM 0 HB VAL A 60 10.834 -2.659 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.465 -0.939 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.601 -2.291 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.755 -0.757 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.904 -0.271 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.194 -0.092 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.643 -1.150 2.537 1.00 0.00 H new ATOM 935 N LEU A 61 7.818 -4.252 -1.119 1.00 0.00 N ATOM 936 CA LEU A 61 7.890 -5.413 -2.033 1.00 0.00 C ATOM 937 C LEU A 61 8.994 -5.166 -3.060 1.00 0.00 C ATOM 938 O LEU A 61 9.681 -6.079 -3.470 1.00 0.00 O ATOM 939 CB LEU A 61 6.544 -5.590 -2.741 1.00 0.00 C ATOM 940 CG LEU A 61 6.465 -6.990 -3.352 1.00 0.00 C ATOM 941 CD1 LEU A 61 6.100 -8.003 -2.265 1.00 0.00 C ATOM 942 CD2 LEU A 61 5.391 -7.008 -4.442 1.00 0.00 C ATOM 0 H LEU A 61 6.909 -3.792 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 61 8.114 -6.319 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.728 -5.445 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.429 -4.836 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 61 7.431 -7.252 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.044 -9.000 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.862 -7.990 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.134 -7.741 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.333 -8.005 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.427 -6.746 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.648 -6.286 -5.218 1.00 0.00 H new ATOM 954 N GLU A 62 9.170 -3.927 -3.460 1.00 0.00 N ATOM 955 CA GLU A 62 10.235 -3.583 -4.459 1.00 0.00 C ATOM 956 C GLU A 62 9.810 -2.347 -5.255 1.00 0.00 C ATOM 957 O GLU A 62 8.733 -1.818 -5.072 1.00 0.00 O ATOM 958 CB GLU A 62 10.447 -4.741 -5.438 1.00 0.00 C ATOM 959 CG GLU A 62 11.684 -5.541 -5.021 1.00 0.00 C ATOM 960 CD GLU A 62 12.633 -5.670 -6.214 1.00 0.00 C ATOM 961 OE1 GLU A 62 12.146 -5.705 -7.332 1.00 0.00 O ATOM 962 OE2 GLU A 62 13.831 -5.731 -5.989 1.00 0.00 O ATOM 0 H GLU A 62 8.617 -3.134 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 62 11.162 -3.389 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.569 -5.387 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.573 -4.357 -6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.189 -5.044 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.389 -6.529 -4.668 1.00 0.00 H new ATOM 969 N VAL A 63 10.650 -1.889 -6.144 1.00 0.00 N ATOM 970 CA VAL A 63 10.300 -0.695 -6.963 1.00 0.00 C ATOM 971 C VAL A 63 10.846 -0.874 -8.381 1.00 0.00 C ATOM 972 O VAL A 63 12.034 -0.772 -8.618 1.00 0.00 O ATOM 973 CB VAL A 63 10.914 0.554 -6.332 1.00 0.00 C ATOM 974 CG1 VAL A 63 10.748 1.742 -7.282 1.00 0.00 C ATOM 975 CG2 VAL A 63 10.201 0.851 -5.014 1.00 0.00 C ATOM 0 H VAL A 63 11.566 -2.293 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 63 9.216 -0.585 -7.002 1.00 0.00 H new ATOM 0 HB VAL A 63 11.975 0.387 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.186 2.632 -6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.252 1.527 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.688 1.914 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.634 1.741 -4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.141 1.020 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.318 0.004 -4.338 1.00 0.00 H new ATOM 985 N ASP A 64 9.988 -1.143 -9.326 1.00 0.00 N ATOM 986 CA ASP A 64 10.453 -1.334 -10.729 1.00 0.00 C ATOM 987 C ASP A 64 11.077 -0.037 -11.249 1.00 0.00 C ATOM 988 O ASP A 64 11.272 0.910 -10.514 1.00 0.00 O ATOM 989 CB ASP A 64 9.261 -1.711 -11.612 1.00 0.00 C ATOM 990 CG ASP A 64 8.151 -0.673 -11.438 1.00 0.00 C ATOM 991 OD1 ASP A 64 8.422 0.363 -10.852 1.00 0.00 O ATOM 992 OD2 ASP A 64 7.049 -0.931 -11.892 1.00 0.00 O ATOM 0 H ASP A 64 8.982 -1.239 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 64 11.198 -2.129 -10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.569 -1.759 -12.657 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.894 -2.701 -11.342 1.00 0.00 H new ATOM 997 N ARG A 65 11.390 0.010 -12.515 1.00 0.00 N ATOM 998 CA ARG A 65 12.001 1.242 -13.089 1.00 0.00 C ATOM 999 C ARG A 65 10.925 2.317 -13.259 1.00 0.00 C ATOM 1000 O ARG A 65 11.198 3.418 -13.692 1.00 0.00 O ATOM 1001 CB ARG A 65 12.619 0.916 -14.451 1.00 0.00 C ATOM 1002 CG ARG A 65 13.760 -0.088 -14.265 1.00 0.00 C ATOM 1003 CD ARG A 65 14.598 -0.156 -15.543 1.00 0.00 C ATOM 1004 NE ARG A 65 14.174 -1.332 -16.354 1.00 0.00 N ATOM 1005 CZ ARG A 65 14.964 -1.806 -17.280 1.00 0.00 C ATOM 1006 NH1 ARG A 65 15.863 -1.035 -17.829 1.00 0.00 N ATOM 1007 NH2 ARG A 65 14.853 -3.051 -17.658 1.00 0.00 N ATOM 0 H ARG A 65 11.249 -0.753 -13.177 1.00 0.00 H new ATOM 0 HA ARG A 65 12.776 1.610 -12.417 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.861 0.503 -15.117 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.993 1.826 -14.920 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.386 0.209 -13.423 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.356 -1.073 -14.030 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.475 0.760 -16.120 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.656 -0.236 -15.293 1.00 0.00 H new ATOM 0 HE ARG A 65 13.267 -1.767 -16.186 1.00 0.00 H new ATOM 0 HH11 ARG A 65 15.949 -0.062 -17.535 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.480 -1.405 -18.552 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.150 -3.653 -17.230 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.470 -3.421 -18.381 1.00 0.00 H new ATOM 1021 N GLN A 66 9.702 2.009 -12.920 1.00 0.00 N ATOM 1022 CA GLN A 66 8.616 3.018 -13.062 1.00 0.00 C ATOM 1023 C GLN A 66 8.481 3.810 -11.760 1.00 0.00 C ATOM 1024 O GLN A 66 7.559 4.581 -11.584 1.00 0.00 O ATOM 1025 CB GLN A 66 7.296 2.307 -13.367 1.00 0.00 C ATOM 1026 CG GLN A 66 6.868 2.619 -14.801 1.00 0.00 C ATOM 1027 CD GLN A 66 5.363 2.890 -14.833 1.00 0.00 C ATOM 1028 OE1 GLN A 66 4.621 2.187 -15.491 1.00 0.00 O ATOM 1029 NE2 GLN A 66 4.879 3.886 -14.144 1.00 0.00 N ATOM 0 H GLN A 66 9.410 1.104 -12.552 1.00 0.00 H new ATOM 0 HA GLN A 66 8.858 3.700 -13.877 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.412 1.231 -13.237 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.526 2.632 -12.668 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.413 3.486 -15.175 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.112 1.782 -15.456 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.503 4.475 -13.592 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.877 4.076 -14.157 1.00 0.00 H new ATOM 1038 N GLY A 67 9.394 3.627 -10.846 1.00 0.00 N ATOM 1039 CA GLY A 67 9.318 4.372 -9.557 1.00 0.00 C ATOM 1040 C GLY A 67 7.969 4.105 -8.887 1.00 0.00 C ATOM 1041 O GLY A 67 7.463 4.922 -8.144 1.00 0.00 O ATOM 0 H GLY A 67 10.189 2.994 -10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.130 4.063 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.442 5.440 -9.735 1.00 0.00 H new ATOM 1045 N ARG A 68 7.385 2.966 -9.140 1.00 0.00 N ATOM 1046 CA ARG A 68 6.071 2.649 -8.513 1.00 0.00 C ATOM 1047 C ARG A 68 6.304 1.925 -7.187 1.00 0.00 C ATOM 1048 O ARG A 68 6.286 0.712 -7.118 1.00 0.00 O ATOM 1049 CB ARG A 68 5.259 1.753 -9.451 1.00 0.00 C ATOM 1050 CG ARG A 68 4.797 2.568 -10.661 1.00 0.00 C ATOM 1051 CD ARG A 68 3.487 3.284 -10.327 1.00 0.00 C ATOM 1052 NE ARG A 68 2.405 2.279 -10.132 1.00 0.00 N ATOM 1053 CZ ARG A 68 1.929 1.624 -11.156 1.00 0.00 C ATOM 1054 NH1 ARG A 68 1.237 2.251 -12.068 1.00 0.00 N ATOM 1055 NH2 ARG A 68 2.145 0.342 -11.268 1.00 0.00 N ATOM 0 H ARG A 68 7.760 2.242 -9.753 1.00 0.00 H new ATOM 0 HA ARG A 68 5.521 3.573 -8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.864 0.908 -9.778 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.397 1.343 -8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.561 3.295 -10.936 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.656 1.913 -11.521 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.608 3.883 -9.424 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.220 3.970 -11.131 1.00 0.00 H new ATOM 0 HE ARG A 68 2.036 2.102 -9.198 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.068 3.253 -11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.865 1.739 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.686 -0.148 -10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.773 -0.170 -12.068 1.00 0.00 H new ATOM 1069 N ILE A 69 6.525 2.661 -6.133 1.00 0.00 N ATOM 1070 CA ILE A 69 6.763 2.021 -4.808 1.00 0.00 C ATOM 1071 C ILE A 69 5.776 0.870 -4.604 1.00 0.00 C ATOM 1072 O ILE A 69 4.609 1.080 -4.338 1.00 0.00 O ATOM 1073 CB ILE A 69 6.563 3.055 -3.702 1.00 0.00 C ATOM 1074 CG1 ILE A 69 7.571 4.192 -3.880 1.00 0.00 C ATOM 1075 CG2 ILE A 69 6.773 2.393 -2.339 1.00 0.00 C ATOM 1076 CD1 ILE A 69 6.841 5.534 -3.810 1.00 0.00 C ATOM 0 H ILE A 69 6.551 3.681 -6.132 1.00 0.00 H new ATOM 0 HA ILE A 69 7.782 1.635 -4.774 1.00 0.00 H new ATOM 0 HB ILE A 69 5.551 3.455 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.335 4.140 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.082 4.093 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.630 3.131 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.054 1.584 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.785 1.992 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.558 6.345 -3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.094 5.583 -4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.350 5.631 -2.841 1.00 0.00 H new ATOM 1088 N ARG A 70 6.235 -0.344 -4.720 1.00 0.00 N ATOM 1089 CA ARG A 70 5.323 -1.505 -4.527 1.00 0.00 C ATOM 1090 C ARG A 70 5.348 -1.931 -3.057 1.00 0.00 C ATOM 1091 O ARG A 70 6.194 -2.697 -2.631 1.00 0.00 O ATOM 1092 CB ARG A 70 5.782 -2.668 -5.410 1.00 0.00 C ATOM 1093 CG ARG A 70 5.418 -2.374 -6.867 1.00 0.00 C ATOM 1094 CD ARG A 70 4.279 -3.296 -7.307 1.00 0.00 C ATOM 1095 NE ARG A 70 4.271 -3.403 -8.793 1.00 0.00 N ATOM 1096 CZ ARG A 70 3.154 -3.261 -9.454 1.00 0.00 C ATOM 1097 NH1 ARG A 70 2.272 -2.380 -9.066 1.00 0.00 N ATOM 1098 NH2 ARG A 70 2.918 -3.999 -10.505 1.00 0.00 N ATOM 0 H ARG A 70 7.202 -0.583 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 70 4.307 -1.223 -4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.859 -2.809 -5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.309 -3.595 -5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.118 -1.332 -6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.288 -2.523 -7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.403 -4.283 -6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.324 -2.905 -6.955 1.00 0.00 H new ATOM 0 HE ARG A 70 5.140 -3.588 -9.295 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.455 -1.802 -8.246 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.400 -2.270 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.606 -4.687 -10.810 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.045 -3.888 -11.021 1.00 0.00 H new ATOM 1112 N LEU A 71 4.425 -1.441 -2.275 1.00 0.00 N ATOM 1113 CA LEU A 71 4.394 -1.818 -0.835 1.00 0.00 C ATOM 1114 C LEU A 71 3.530 -3.066 -0.660 1.00 0.00 C ATOM 1115 O LEU A 71 2.618 -3.314 -1.424 1.00 0.00 O ATOM 1116 CB LEU A 71 3.807 -0.669 -0.010 1.00 0.00 C ATOM 1117 CG LEU A 71 4.742 0.543 -0.064 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.381 1.515 1.060 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.194 0.086 0.113 1.00 0.00 C ATOM 0 H LEU A 71 3.692 -0.797 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 71 5.408 -2.022 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.824 -0.398 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.668 -0.986 1.024 1.00 0.00 H new ATOM 0 HG LEU A 71 4.632 1.038 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.046 2.378 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.350 1.846 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.490 1.015 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.855 0.952 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.304 -0.411 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.457 -0.608 -0.685 1.00 0.00 H new ATOM 1131 N SER A 72 3.814 -3.857 0.336 1.00 0.00 N ATOM 1132 CA SER A 72 3.015 -5.093 0.555 1.00 0.00 C ATOM 1133 C SER A 72 2.319 -5.028 1.916 1.00 0.00 C ATOM 1134 O SER A 72 2.941 -5.172 2.950 1.00 0.00 O ATOM 1135 CB SER A 72 3.943 -6.300 0.512 1.00 0.00 C ATOM 1136 OG SER A 72 3.680 -7.053 -0.665 1.00 0.00 O ATOM 0 H SER A 72 4.565 -3.701 1.008 1.00 0.00 H new ATOM 0 HA SER A 72 2.259 -5.181 -0.226 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.983 -5.974 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.793 -6.920 1.396 1.00 0.00 H new ATOM 0 HG SER A 72 3.721 -8.010 -0.457 1.00 0.00 H new ATOM 1142 N ILE A 73 1.032 -4.816 1.924 1.00 0.00 N ATOM 1143 CA ILE A 73 0.296 -4.745 3.217 1.00 0.00 C ATOM 1144 C ILE A 73 0.490 -6.066 3.976 1.00 0.00 C ATOM 1145 O ILE A 73 0.457 -7.134 3.399 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.199 -4.468 2.931 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.589 -3.136 3.573 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.098 -5.578 3.496 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.104 -2.948 3.477 1.00 0.00 C ATOM 0 H ILE A 73 0.458 -4.689 1.090 1.00 0.00 H new ATOM 0 HA ILE A 73 0.680 -3.936 3.838 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.339 -4.434 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.275 -3.117 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.077 -2.315 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.141 -5.349 3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.831 -6.531 3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.961 -5.643 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.383 -1.999 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.405 -2.948 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.606 -3.763 3.999 1.00 0.00 H new ATOM 1161 N LYS A 74 0.688 -5.998 5.265 1.00 0.00 N ATOM 1162 CA LYS A 74 0.878 -7.248 6.053 1.00 0.00 C ATOM 1163 C LYS A 74 -0.467 -7.956 6.208 1.00 0.00 C ATOM 1164 O LYS A 74 -0.888 -8.706 5.350 1.00 0.00 O ATOM 1165 CB LYS A 74 1.451 -6.906 7.431 1.00 0.00 C ATOM 1166 CG LYS A 74 2.967 -7.113 7.421 1.00 0.00 C ATOM 1167 CD LYS A 74 3.297 -8.499 7.981 1.00 0.00 C ATOM 1168 CE LYS A 74 4.754 -8.530 8.444 1.00 0.00 C ATOM 1169 NZ LYS A 74 5.642 -8.776 7.273 1.00 0.00 N ATOM 0 H LYS A 74 0.726 -5.133 5.804 1.00 0.00 H new ATOM 0 HA LYS A 74 1.574 -7.906 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.216 -5.873 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.993 -7.536 8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.351 -7.019 6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.454 -6.342 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.635 -8.733 8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.131 -9.260 7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.016 -7.585 8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.893 -9.312 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.633 -8.797 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.397 -9.688 6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.516 -8.015 6.576 1.00 0.00 H new ATOM 1183 N GLU A 75 -1.145 -7.722 7.292 1.00 0.00 N ATOM 1184 CA GLU A 75 -2.466 -8.377 7.504 1.00 0.00 C ATOM 1185 C GLU A 75 -3.293 -7.549 8.491 1.00 0.00 C ATOM 1186 O GLU A 75 -3.898 -8.075 9.404 1.00 0.00 O ATOM 1187 CB GLU A 75 -2.255 -9.783 8.071 1.00 0.00 C ATOM 1188 CG GLU A 75 -1.805 -10.726 6.952 1.00 0.00 C ATOM 1189 CD GLU A 75 -1.987 -12.176 7.404 1.00 0.00 C ATOM 1190 OE1 GLU A 75 -1.356 -12.555 8.377 1.00 0.00 O ATOM 1191 OE2 GLU A 75 -2.753 -12.883 6.771 1.00 0.00 O ATOM 0 H GLU A 75 -0.842 -7.104 8.045 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.994 -8.445 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.506 -9.758 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.179 -10.148 8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.386 -10.540 6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.760 -10.540 6.703 1.00 0.00 H new ATOM 1198 N ALA A 76 -3.324 -6.255 8.316 1.00 0.00 N ATOM 1199 CA ALA A 76 -4.112 -5.397 9.246 1.00 0.00 C ATOM 1200 C ALA A 76 -5.606 -5.640 9.022 1.00 0.00 C ATOM 1201 O ALA A 76 -6.247 -6.144 9.929 1.00 0.00 O ATOM 1202 CB ALA A 76 -3.788 -3.926 8.980 1.00 0.00 C ATOM 1203 OXT ALA A 76 -6.084 -5.316 7.947 1.00 0.00 O ATOM 0 H ALA A 76 -2.838 -5.756 7.570 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.855 -5.645 10.276 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.364 -3.298 9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.724 -3.753 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.045 -3.677 7.950 1.00 0.00 H new TER 1209 ALA A 76