USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= 2.27 (180deg=1.85) USER MOD Single : A 12 MET CE :methyl -169:sc= -4.67! (180deg=-5.01!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0924 USER MOD Single : A 19 ASN : amide:sc= 0.431 X(o=0.43,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.07 K(o=1.1,f=-0.002) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00313) USER MOD Single : A 33 ASN : amide:sc= 0.943 K(o=0.94,f=-0.35) USER MOD Single : A 37 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.12) USER MOD Single : A 42 THR OG1 : rot 59:sc= 0.607 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 47 TYR OH : rot 105:sc= 1.29 USER MOD Single : A 48 ASN : amide:sc=-0.00924 K(o=-0.0092,f=-1) USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 1.16 (180deg=1.06) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 2.38 (180deg=1.92) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 95:sc= 0.763 USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.0824 (180deg=-0.458) USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= 0.533! (180deg=-1.1!) USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= 1.95 (180deg=-1.87!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.133 14.893 10.794 1.00 10.00 N ATOM 2 CA MET A 1 1.034 15.672 10.346 1.00 10.00 C ATOM 3 C MET A 1 2.007 14.701 9.684 1.00 10.00 C ATOM 4 O MET A 1 2.879 14.153 10.348 1.00 10.00 O ATOM 5 CB MET A 1 1.642 16.450 11.524 1.00 10.00 C ATOM 6 CG MET A 1 2.948 17.174 11.164 1.00 10.00 C ATOM 7 SD MET A 1 3.463 18.459 12.332 1.00 10.00 S ATOM 8 CE MET A 1 2.376 19.813 11.831 1.00 10.00 C ATOM 0 H1 MET A 1 -0.819 15.527 11.252 1.00 10.00 H new ATOM 0 H2 MET A 1 -0.579 14.434 9.974 1.00 10.00 H new ATOM 0 H3 MET A 1 0.174 14.167 11.473 1.00 10.00 H new ATOM 0 HA MET A 1 0.757 16.430 9.614 1.00 10.00 H new ATOM 0 HB2 MET A 1 0.916 17.181 11.881 1.00 10.00 H new ATOM 0 HB3 MET A 1 1.832 15.761 12.347 1.00 10.00 H new ATOM 0 HG2 MET A 1 3.745 16.435 11.087 1.00 10.00 H new ATOM 0 HG3 MET A 1 2.835 17.625 10.178 1.00 10.00 H new ATOM 0 HE1 MET A 1 2.568 20.685 12.457 1.00 10.00 H new ATOM 0 HE2 MET A 1 2.567 20.066 10.788 1.00 10.00 H new ATOM 0 HE3 MET A 1 1.336 19.506 11.946 1.00 10.00 H new ATOM 20 N THR A 2 1.753 14.414 8.409 1.00 10.00 N ATOM 21 CA THR A 2 2.326 13.326 7.632 1.00 10.00 C ATOM 22 C THR A 2 2.144 13.732 6.159 1.00 10.00 C ATOM 23 O THR A 2 1.498 14.756 5.920 1.00 10.00 O ATOM 24 CB THR A 2 1.568 12.030 7.978 1.00 10.00 C ATOM 25 OG1 THR A 2 0.180 12.191 7.746 1.00 10.00 O ATOM 26 CG2 THR A 2 1.733 11.584 9.434 1.00 10.00 C ATOM 0 H THR A 2 1.100 14.973 7.860 1.00 10.00 H new ATOM 0 HA THR A 2 3.381 13.147 7.841 1.00 10.00 H new ATOM 0 HB THR A 2 2.005 11.268 7.332 1.00 10.00 H new ATOM 0 HG1 THR A 2 -0.288 11.359 7.969 1.00 10.00 H new ATOM 0 HG21 THR A 2 1.170 10.665 9.599 1.00 10.00 H new ATOM 0 HG22 THR A 2 2.788 11.406 9.643 1.00 10.00 H new ATOM 0 HG23 THR A 2 1.359 12.363 10.098 1.00 10.00 H new ATOM 34 N GLU A 3 2.664 12.974 5.184 1.00 10.00 N ATOM 35 CA GLU A 3 2.424 13.236 3.775 1.00 10.00 C ATOM 36 C GLU A 3 1.307 12.310 3.297 1.00 10.00 C ATOM 37 O GLU A 3 0.634 11.662 4.104 1.00 10.00 O ATOM 38 CB GLU A 3 3.741 13.093 2.986 1.00 10.00 C ATOM 39 CG GLU A 3 4.210 11.644 2.758 1.00 10.00 C ATOM 40 CD GLU A 3 5.630 11.562 2.208 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.255 12.635 2.075 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.083 10.417 1.988 1.00 10.00 O ATOM 0 H GLU A 3 3.261 12.165 5.359 1.00 10.00 H new ATOM 0 HA GLU A 3 2.089 14.259 3.606 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.620 13.577 2.017 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.525 13.633 3.516 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.158 11.098 3.700 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.528 11.151 2.065 1.00 10.00 H new ATOM 49 N LYS A 4 1.134 12.248 1.980 1.00 10.00 N ATOM 50 CA LYS A 4 0.312 11.260 1.308 1.00 10.00 C ATOM 51 C LYS A 4 1.023 10.839 0.035 1.00 10.00 C ATOM 52 O LYS A 4 1.571 11.679 -0.676 1.00 10.00 O ATOM 53 CB LYS A 4 -1.101 11.771 1.040 1.00 10.00 C ATOM 54 CG LYS A 4 -2.077 10.630 0.694 1.00 10.00 C ATOM 55 CD LYS A 4 -3.470 11.250 0.549 1.00 10.00 C ATOM 56 CE LYS A 4 -4.674 10.373 0.912 1.00 10.00 C ATOM 57 NZ LYS A 4 -5.686 11.170 1.630 1.00 10.00 N ATOM 0 H LYS A 4 1.577 12.905 1.337 1.00 10.00 H new ATOM 0 HA LYS A 4 0.183 10.392 1.955 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.465 12.305 1.918 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.077 12.488 0.219 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -1.778 10.136 -0.231 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -2.074 9.871 1.476 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -3.506 12.145 1.169 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.589 11.574 -0.485 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -5.110 9.948 0.008 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -4.351 9.538 1.533 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -6.625 10.746 1.490 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -5.461 11.184 2.645 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -5.687 12.143 1.262 1.00 10.00 H new ATOM 71 N ALA A 5 1.011 9.537 -0.217 1.00 10.00 N ATOM 72 CA ALA A 5 1.675 8.878 -1.319 1.00 10.00 C ATOM 73 C ALA A 5 0.646 8.001 -2.011 1.00 10.00 C ATOM 74 O ALA A 5 -0.216 7.439 -1.334 1.00 10.00 O ATOM 75 CB ALA A 5 2.840 8.074 -0.762 1.00 10.00 C ATOM 0 H ALA A 5 0.507 8.881 0.380 1.00 10.00 H new ATOM 0 HA ALA A 5 2.077 9.582 -2.048 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.356 7.568 -1.578 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.534 8.743 -0.254 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.466 7.334 -0.055 1.00 10.00 H new ATOM 81 N GLU A 6 0.686 7.917 -3.342 1.00 10.00 N ATOM 82 CA GLU A 6 -0.336 7.237 -4.100 1.00 10.00 C ATOM 83 C GLU A 6 0.403 6.240 -4.960 1.00 10.00 C ATOM 84 O GLU A 6 1.389 6.602 -5.608 1.00 10.00 O ATOM 85 CB GLU A 6 -1.129 8.225 -4.953 1.00 10.00 C ATOM 86 CG GLU A 6 -2.441 7.593 -5.427 1.00 10.00 C ATOM 87 CD GLU A 6 -3.149 8.447 -6.464 1.00 10.00 C ATOM 88 OE1 GLU A 6 -2.440 8.911 -7.385 1.00 10.00 O ATOM 89 OE2 GLU A 6 -4.384 8.579 -6.363 1.00 10.00 O ATOM 0 H GLU A 6 1.429 8.320 -3.912 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.064 6.746 -3.454 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.340 9.125 -4.376 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.534 8.531 -5.814 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.236 6.609 -5.848 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.100 7.443 -4.572 1.00 10.00 H new ATOM 96 N PHE A 7 -0.053 4.995 -4.927 1.00 10.00 N ATOM 97 CA PHE A 7 0.560 3.883 -5.608 1.00 10.00 C ATOM 98 C PHE A 7 -0.508 3.133 -6.378 1.00 10.00 C ATOM 99 O PHE A 7 -1.650 3.050 -5.935 1.00 10.00 O ATOM 100 CB PHE A 7 1.219 2.953 -4.600 1.00 10.00 C ATOM 101 CG PHE A 7 2.005 3.620 -3.490 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.928 4.631 -3.802 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.859 3.204 -2.155 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.619 5.298 -2.785 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.606 3.827 -1.144 1.00 10.00 C ATOM 106 CZ PHE A 7 3.474 4.886 -1.452 1.00 10.00 C ATOM 0 H PHE A 7 -0.889 4.732 -4.405 1.00 10.00 H new ATOM 0 HA PHE A 7 1.323 4.249 -6.294 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.444 2.334 -4.147 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.888 2.282 -5.139 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.106 4.895 -4.834 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.173 2.407 -1.908 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.264 6.130 -3.026 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.513 3.490 -0.122 1.00 10.00 H new ATOM 0 HZ PHE A 7 4.027 5.381 -0.667 1.00 10.00 H new ATOM 116 N ASP A 8 -0.109 2.570 -7.508 1.00 10.00 N ATOM 117 CA ASP A 8 -0.898 1.733 -8.378 1.00 10.00 C ATOM 118 C ASP A 8 -0.580 0.321 -7.924 1.00 10.00 C ATOM 119 O ASP A 8 0.574 0.055 -7.573 1.00 10.00 O ATOM 120 CB ASP A 8 -0.448 2.017 -9.816 1.00 10.00 C ATOM 121 CG ASP A 8 -0.525 0.847 -10.779 1.00 10.00 C ATOM 122 OD1 ASP A 8 0.071 -0.203 -10.462 1.00 10.00 O ATOM 123 OD2 ASP A 8 -0.905 1.063 -11.950 1.00 10.00 O ATOM 0 H ASP A 8 0.840 2.699 -7.859 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.974 1.902 -8.342 1.00 10.00 H new ATOM 0 HB2 ASP A 8 -1.057 2.829 -10.213 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.582 2.374 -9.790 1.00 10.00 H new ATOM 128 N ILE A 9 -1.593 -0.542 -7.880 1.00 10.00 N ATOM 129 CA ILE A 9 -1.450 -1.944 -7.564 1.00 10.00 C ATOM 130 C ILE A 9 -1.906 -2.759 -8.771 1.00 10.00 C ATOM 131 O ILE A 9 -2.856 -2.368 -9.443 1.00 10.00 O ATOM 132 CB ILE A 9 -2.233 -2.251 -6.288 1.00 10.00 C ATOM 133 CG1 ILE A 9 -1.963 -1.104 -5.297 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.742 -3.593 -5.730 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.378 -1.477 -3.893 1.00 10.00 C ATOM 0 H ILE A 9 -2.557 -0.269 -8.070 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.413 -2.213 -7.365 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.305 -2.327 -6.471 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.902 -0.853 -5.310 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -2.505 -0.213 -5.613 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.290 -3.830 -4.818 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.910 -4.377 -6.468 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.677 -3.527 -5.507 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.173 -0.645 -3.220 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.444 -1.703 -3.877 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -1.816 -2.353 -3.568 1.00 10.00 H new ATOM 147 N GLU A 10 -1.230 -3.877 -9.039 1.00 10.00 N ATOM 148 CA GLU A 10 -1.600 -4.835 -10.066 1.00 10.00 C ATOM 149 C GLU A 10 -1.719 -6.213 -9.422 1.00 10.00 C ATOM 150 O GLU A 10 -0.752 -6.702 -8.829 1.00 10.00 O ATOM 151 CB GLU A 10 -0.528 -4.897 -11.157 1.00 10.00 C ATOM 152 CG GLU A 10 -0.335 -3.576 -11.916 1.00 10.00 C ATOM 153 CD GLU A 10 0.751 -3.688 -12.981 1.00 10.00 C ATOM 154 OE1 GLU A 10 0.815 -4.750 -13.633 1.00 10.00 O ATOM 155 OE2 GLU A 10 1.508 -2.703 -13.132 1.00 10.00 O ATOM 0 H GLU A 10 -0.387 -4.143 -8.530 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.545 -4.529 -10.515 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.420 -5.187 -10.705 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.793 -5.678 -11.869 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -1.275 -3.285 -12.385 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.073 -2.787 -11.211 1.00 10.00 H new ATOM 162 N GLY A 11 -2.877 -6.852 -9.581 1.00 10.00 N ATOM 163 CA GLY A 11 -3.052 -8.283 -9.326 1.00 10.00 C ATOM 164 C GLY A 11 -4.202 -8.593 -8.375 1.00 10.00 C ATOM 165 O GLY A 11 -4.619 -9.746 -8.262 1.00 10.00 O ATOM 0 H GLY A 11 -3.729 -6.387 -9.894 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.226 -8.794 -10.273 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.128 -8.686 -8.911 1.00 10.00 H new ATOM 169 N MET A 12 -4.705 -7.584 -7.667 1.00 10.00 N ATOM 170 CA MET A 12 -5.756 -7.746 -6.684 1.00 10.00 C ATOM 171 C MET A 12 -7.107 -7.969 -7.361 1.00 10.00 C ATOM 172 O MET A 12 -7.943 -7.077 -7.471 1.00 10.00 O ATOM 173 CB MET A 12 -5.769 -6.530 -5.771 1.00 10.00 C ATOM 174 CG MET A 12 -5.750 -5.220 -6.571 1.00 10.00 C ATOM 175 SD MET A 12 -6.496 -3.829 -5.711 1.00 10.00 S ATOM 176 CE MET A 12 -5.601 -3.985 -4.168 1.00 10.00 C ATOM 0 H MET A 12 -4.385 -6.621 -7.767 1.00 10.00 H new ATOM 0 HA MET A 12 -5.562 -8.632 -6.080 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.657 -6.558 -5.140 1.00 10.00 H new ATOM 0 HB3 MET A 12 -4.905 -6.564 -5.107 1.00 10.00 H new ATOM 0 HG2 MET A 12 -4.718 -4.971 -6.817 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.274 -5.374 -7.514 1.00 10.00 H new ATOM 0 HE1 MET A 12 -6.052 -3.335 -3.418 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.644 -5.019 -3.825 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.561 -3.697 -4.320 1.00 10.00 H new ATOM 186 N THR A 13 -7.350 -9.203 -7.771 1.00 10.00 N ATOM 187 CA THR A 13 -8.637 -9.636 -8.268 1.00 10.00 C ATOM 188 C THR A 13 -9.682 -9.581 -7.151 1.00 10.00 C ATOM 189 O THR A 13 -10.872 -9.457 -7.441 1.00 10.00 O ATOM 190 CB THR A 13 -8.477 -11.052 -8.832 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.660 -11.805 -7.958 1.00 10.00 O ATOM 192 CG2 THR A 13 -7.799 -10.999 -10.205 1.00 10.00 C ATOM 0 H THR A 13 -6.645 -9.940 -7.766 1.00 10.00 H new ATOM 0 HA THR A 13 -8.987 -8.975 -9.061 1.00 10.00 H new ATOM 0 HB THR A 13 -9.461 -11.510 -8.929 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.554 -12.713 -8.311 1.00 10.00 H new ATOM 0 HG21 THR A 13 -7.690 -12.010 -10.596 1.00 10.00 H new ATOM 0 HG22 THR A 13 -8.408 -10.409 -10.889 1.00 10.00 H new ATOM 0 HG23 THR A 13 -6.815 -10.540 -10.107 1.00 10.00 H new ATOM 200 N CYS A 14 -9.247 -9.681 -5.887 1.00 10.00 N ATOM 201 CA CYS A 14 -10.113 -9.774 -4.727 1.00 10.00 C ATOM 202 C CYS A 14 -10.019 -8.539 -3.818 1.00 10.00 C ATOM 203 O CYS A 14 -8.941 -8.032 -3.508 1.00 10.00 O ATOM 204 CB CYS A 14 -9.800 -11.069 -3.966 1.00 10.00 C ATOM 205 SG CYS A 14 -8.039 -11.405 -3.702 1.00 10.00 S ATOM 0 H CYS A 14 -8.255 -9.699 -5.648 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.146 -9.803 -5.072 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -10.295 -11.030 -2.996 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.235 -11.906 -4.512 1.00 10.00 H new ATOM 210 N ALA A 15 -11.170 -8.085 -3.315 1.00 10.00 N ATOM 211 CA ALA A 15 -11.213 -7.049 -2.292 1.00 10.00 C ATOM 212 C ALA A 15 -10.520 -7.526 -1.009 1.00 10.00 C ATOM 213 O ALA A 15 -9.955 -6.727 -0.268 1.00 10.00 O ATOM 214 CB ALA A 15 -12.664 -6.641 -2.025 1.00 10.00 C ATOM 0 H ALA A 15 -12.087 -8.424 -3.605 1.00 10.00 H new ATOM 0 HA ALA A 15 -10.672 -6.173 -2.650 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.689 -5.866 -1.259 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.109 -6.258 -2.943 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.229 -7.508 -1.682 1.00 10.00 H new ATOM 220 N ALA A 16 -10.551 -8.835 -0.737 1.00 10.00 N ATOM 221 CA ALA A 16 -9.838 -9.426 0.388 1.00 10.00 C ATOM 222 C ALA A 16 -8.342 -9.107 0.304 1.00 10.00 C ATOM 223 O ALA A 16 -7.754 -8.622 1.270 1.00 10.00 O ATOM 224 CB ALA A 16 -10.081 -10.937 0.420 1.00 10.00 C ATOM 0 H ALA A 16 -11.073 -9.511 -1.295 1.00 10.00 H new ATOM 0 HA ALA A 16 -10.216 -8.996 1.316 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.546 -11.374 1.263 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -11.148 -11.132 0.528 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.723 -11.383 -0.508 1.00 10.00 H new ATOM 230 N CYS A 17 -7.733 -9.368 -0.855 1.00 10.00 N ATOM 231 CA CYS A 17 -6.349 -9.029 -1.141 1.00 10.00 C ATOM 232 C CYS A 17 -6.105 -7.550 -0.860 1.00 10.00 C ATOM 233 O CYS A 17 -5.166 -7.200 -0.141 1.00 10.00 O ATOM 234 CB CYS A 17 -6.058 -9.385 -2.596 1.00 10.00 C ATOM 235 SG CYS A 17 -6.065 -11.175 -2.897 1.00 10.00 S ATOM 0 H CYS A 17 -8.203 -9.831 -1.633 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.674 -9.594 -0.498 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -6.801 -8.910 -3.237 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.087 -8.978 -2.878 1.00 10.00 H new ATOM 240 N ALA A 18 -6.972 -6.692 -1.401 1.00 10.00 N ATOM 241 CA ALA A 18 -6.914 -5.260 -1.152 1.00 10.00 C ATOM 242 C ALA A 18 -6.904 -4.950 0.354 1.00 10.00 C ATOM 243 O ALA A 18 -6.040 -4.227 0.843 1.00 10.00 O ATOM 244 CB ALA A 18 -8.031 -4.560 -1.922 1.00 10.00 C ATOM 0 H ALA A 18 -7.730 -6.975 -2.022 1.00 10.00 H new ATOM 0 HA ALA A 18 -5.971 -4.860 -1.526 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -7.986 -3.487 -1.734 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -7.910 -4.747 -2.989 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -8.996 -4.945 -1.594 1.00 10.00 H new ATOM 250 N ASN A 19 -7.822 -5.542 1.118 1.00 10.00 N ATOM 251 CA ASN A 19 -7.863 -5.342 2.563 1.00 10.00 C ATOM 252 C ASN A 19 -6.589 -5.878 3.235 1.00 10.00 C ATOM 253 O ASN A 19 -6.125 -5.314 4.231 1.00 10.00 O ATOM 254 CB ASN A 19 -9.123 -5.991 3.152 1.00 10.00 C ATOM 255 CG ASN A 19 -9.565 -5.387 4.489 1.00 10.00 C ATOM 256 OD1 ASN A 19 -10.746 -5.437 4.816 1.00 10.00 O ATOM 257 ND2 ASN A 19 -8.664 -4.818 5.285 1.00 10.00 N ATOM 0 H ASN A 19 -8.546 -6.164 0.758 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.906 -4.271 2.762 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.938 -5.896 2.434 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.941 -7.057 3.288 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -8.953 -4.418 6.178 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -7.684 -4.782 5.003 1.00 10.00 H new ATOM 264 N ARG A 20 -6.012 -6.969 2.723 1.00 10.00 N ATOM 265 CA ARG A 20 -4.794 -7.540 3.267 1.00 10.00 C ATOM 266 C ARG A 20 -3.654 -6.521 3.186 1.00 10.00 C ATOM 267 O ARG A 20 -2.846 -6.429 4.115 1.00 10.00 O ATOM 268 CB ARG A 20 -4.433 -8.836 2.522 1.00 10.00 C ATOM 269 CG ARG A 20 -4.535 -10.081 3.414 1.00 10.00 C ATOM 270 CD ARG A 20 -5.982 -10.597 3.422 1.00 10.00 C ATOM 271 NE ARG A 20 -6.395 -11.179 4.711 1.00 10.00 N ATOM 272 CZ ARG A 20 -5.936 -12.314 5.259 1.00 10.00 C ATOM 273 NH1 ARG A 20 -4.945 -12.990 4.665 1.00 10.00 N ATOM 274 NH2 ARG A 20 -6.467 -12.763 6.402 1.00 10.00 N ATOM 0 H ARG A 20 -6.383 -7.476 1.919 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.955 -7.789 4.316 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.095 -8.954 1.664 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.418 -8.756 2.132 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.864 -10.858 3.048 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -4.219 -9.840 4.429 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -6.653 -9.775 3.173 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -6.095 -11.349 2.641 1.00 10.00 H new ATOM 0 HE ARG A 20 -7.101 -10.667 5.240 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -4.539 -12.642 3.796 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -4.595 -13.853 5.081 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -7.219 -12.243 6.854 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -6.120 -13.626 6.821 1.00 10.00 H new ATOM 288 N ILE A 21 -3.595 -5.759 2.087 1.00 10.00 N ATOM 289 CA ILE A 21 -2.581 -4.718 1.944 1.00 10.00 C ATOM 290 C ILE A 21 -2.699 -3.746 3.113 1.00 10.00 C ATOM 291 O ILE A 21 -1.701 -3.442 3.758 1.00 10.00 O ATOM 292 CB ILE A 21 -2.651 -3.951 0.607 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.123 -4.841 -0.543 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.274 -3.362 0.296 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.792 -4.349 -1.953 1.00 10.00 C ATOM 0 H ILE A 21 -4.231 -5.845 1.295 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.612 -5.218 1.946 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.385 -3.151 0.710 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.685 -5.831 -0.413 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.204 -4.958 -0.465 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.316 -2.818 -0.648 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.981 -2.681 1.095 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.543 -4.167 0.219 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -3.175 -5.059 -2.686 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.253 -3.375 -2.116 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.711 -4.261 -2.063 1.00 10.00 H new ATOM 307 N GLU A 22 -3.921 -3.297 3.412 1.00 10.00 N ATOM 308 CA GLU A 22 -4.176 -2.355 4.491 1.00 10.00 C ATOM 309 C GLU A 22 -3.613 -2.904 5.796 1.00 10.00 C ATOM 310 O GLU A 22 -2.933 -2.194 6.534 1.00 10.00 O ATOM 311 CB GLU A 22 -5.677 -2.069 4.630 1.00 10.00 C ATOM 312 CG GLU A 22 -6.289 -1.675 3.288 1.00 10.00 C ATOM 313 CD GLU A 22 -7.698 -1.120 3.406 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.307 -1.324 4.477 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.132 -0.507 2.407 1.00 10.00 O ATOM 0 H GLU A 22 -4.761 -3.581 2.907 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.679 -1.414 4.256 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.184 -2.952 5.019 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.832 -1.268 5.353 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.652 -0.930 2.812 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.304 -2.547 2.634 1.00 10.00 H new ATOM 322 N LYS A 23 -3.880 -4.182 6.069 1.00 10.00 N ATOM 323 CA LYS A 23 -3.386 -4.854 7.258 1.00 10.00 C ATOM 324 C LYS A 23 -1.853 -4.869 7.303 1.00 10.00 C ATOM 325 O LYS A 23 -1.268 -4.556 8.341 1.00 10.00 O ATOM 326 CB LYS A 23 -3.996 -6.264 7.340 1.00 10.00 C ATOM 327 CG LYS A 23 -5.023 -6.355 8.477 1.00 10.00 C ATOM 328 CD LYS A 23 -4.385 -6.333 9.880 1.00 10.00 C ATOM 329 CE LYS A 23 -3.892 -7.724 10.310 1.00 10.00 C ATOM 330 NZ LYS A 23 -3.286 -7.701 11.658 1.00 10.00 N ATOM 0 H LYS A 23 -4.448 -4.777 5.465 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.701 -4.298 8.141 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.474 -6.513 6.393 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.205 -6.997 7.500 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.724 -5.524 8.391 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.601 -7.272 8.363 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.549 -5.634 9.887 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.113 -5.967 10.604 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.727 -8.425 10.299 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.160 -8.089 9.589 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.966 -8.658 11.911 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.473 -7.052 11.662 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.991 -7.377 12.350 1.00 10.00 H new ATOM 344 N ARG A 24 -1.191 -5.242 6.202 1.00 10.00 N ATOM 345 CA ARG A 24 0.270 -5.190 6.142 1.00 10.00 C ATOM 346 C ARG A 24 0.771 -3.766 6.384 1.00 10.00 C ATOM 347 O ARG A 24 1.641 -3.556 7.220 1.00 10.00 O ATOM 348 CB ARG A 24 0.801 -5.745 4.810 1.00 10.00 C ATOM 349 CG ARG A 24 1.414 -7.142 4.973 1.00 10.00 C ATOM 350 CD ARG A 24 0.390 -8.185 5.434 1.00 10.00 C ATOM 351 NE ARG A 24 0.984 -9.532 5.408 1.00 10.00 N ATOM 352 CZ ARG A 24 0.383 -10.650 5.845 1.00 10.00 C ATOM 353 NH1 ARG A 24 -0.843 -10.575 6.375 1.00 10.00 N ATOM 354 NH2 ARG A 24 1.005 -11.830 5.750 1.00 10.00 N ATOM 0 H ARG A 24 -1.640 -5.579 5.350 1.00 10.00 H new ATOM 0 HA ARG A 24 0.658 -5.827 6.937 1.00 10.00 H new ATOM 0 HB2 ARG A 24 -0.012 -5.788 4.085 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.551 -5.065 4.407 1.00 10.00 H new ATOM 0 HG2 ARG A 24 1.847 -7.458 4.024 1.00 10.00 H new ATOM 0 HG3 ARG A 24 2.229 -7.095 5.695 1.00 10.00 H new ATOM 0 HD2 ARG A 24 0.050 -7.950 6.443 1.00 10.00 H new ATOM 0 HD3 ARG A 24 -0.487 -8.154 4.787 1.00 10.00 H new ATOM 0 HE ARG A 24 1.926 -9.623 5.028 1.00 10.00 H new ATOM 0 HH11 ARG A 24 -1.314 -9.673 6.445 1.00 10.00 H new ATOM 0 HH12 ARG A 24 -1.307 -11.420 6.709 1.00 10.00 H new ATOM 0 HH21 ARG A 24 1.939 -11.883 5.344 1.00 10.00 H new ATOM 0 HH22 ARG A 24 0.545 -12.677 6.083 1.00 10.00 H new ATOM 368 N LEU A 25 0.224 -2.789 5.669 1.00 10.00 N ATOM 369 CA LEU A 25 0.641 -1.403 5.787 1.00 10.00 C ATOM 370 C LEU A 25 0.457 -0.911 7.223 1.00 10.00 C ATOM 371 O LEU A 25 1.369 -0.316 7.784 1.00 10.00 O ATOM 372 CB LEU A 25 -0.094 -0.542 4.752 1.00 10.00 C ATOM 373 CG LEU A 25 0.328 -0.901 3.313 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.586 -0.205 2.302 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.769 -0.480 3.019 1.00 10.00 C ATOM 0 H LEU A 25 -0.523 -2.940 4.991 1.00 10.00 H new ATOM 0 HA LEU A 25 1.705 -1.317 5.567 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.170 -0.680 4.861 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.114 0.511 4.941 1.00 10.00 H new ATOM 0 HG LEU A 25 0.248 -1.984 3.223 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.276 -0.468 1.290 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.615 -0.526 2.461 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.518 0.875 2.433 1.00 10.00 H new ATOM 0 HD21 LEU A 25 2.026 -0.751 1.995 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.866 0.599 3.144 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.444 -0.987 3.709 1.00 10.00 H new ATOM 387 N ASN A 26 -0.680 -1.222 7.851 1.00 10.00 N ATOM 388 CA ASN A 26 -0.925 -0.938 9.263 1.00 10.00 C ATOM 389 C ASN A 26 0.182 -1.504 10.154 1.00 10.00 C ATOM 390 O ASN A 26 0.529 -0.907 11.167 1.00 10.00 O ATOM 391 CB ASN A 26 -2.280 -1.508 9.700 1.00 10.00 C ATOM 392 CG ASN A 26 -3.405 -0.490 9.548 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.869 0.081 10.529 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.863 -0.261 8.323 1.00 10.00 N ATOM 0 H ASN A 26 -1.463 -1.683 7.387 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.934 0.146 9.378 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.509 -2.393 9.106 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.220 -1.829 10.740 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.621 0.406 8.178 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.456 -0.752 7.527 1.00 10.00 H new ATOM 401 N LYS A 27 0.719 -2.675 9.799 1.00 10.00 N ATOM 402 CA LYS A 27 1.812 -3.293 10.538 1.00 10.00 C ATOM 403 C LYS A 27 3.111 -2.471 10.463 1.00 10.00 C ATOM 404 O LYS A 27 3.988 -2.679 11.299 1.00 10.00 O ATOM 405 CB LYS A 27 2.016 -4.739 10.053 1.00 10.00 C ATOM 406 CG LYS A 27 2.764 -5.606 11.073 1.00 10.00 C ATOM 407 CD LYS A 27 2.855 -7.049 10.553 1.00 10.00 C ATOM 408 CE LYS A 27 3.735 -7.948 11.434 1.00 10.00 C ATOM 409 NZ LYS A 27 3.274 -8.006 12.837 1.00 10.00 N ATOM 0 H LYS A 27 0.406 -3.216 8.993 1.00 10.00 H new ATOM 0 HA LYS A 27 1.538 -3.315 11.593 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.045 -5.188 9.844 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.571 -4.728 9.115 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.764 -5.206 11.242 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.246 -5.586 12.032 1.00 10.00 H new ATOM 0 HD2 LYS A 27 1.853 -7.473 10.497 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.255 -7.040 9.539 1.00 10.00 H new ATOM 0 HE2 LYS A 27 3.747 -8.956 11.019 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.761 -7.581 11.409 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 3.894 -8.640 13.380 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 3.304 -7.053 13.252 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 2.299 -8.367 12.867 1.00 10.00 H new ATOM 423 N ILE A 28 3.269 -1.577 9.479 1.00 10.00 N ATOM 424 CA ILE A 28 4.467 -0.754 9.361 1.00 10.00 C ATOM 425 C ILE A 28 4.470 0.317 10.456 1.00 10.00 C ATOM 426 O ILE A 28 3.446 0.916 10.779 1.00 10.00 O ATOM 427 CB ILE A 28 4.571 -0.102 7.968 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.477 -1.076 6.790 1.00 10.00 C ATOM 429 CG2 ILE A 28 5.777 0.840 7.853 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.786 -1.819 6.622 1.00 10.00 C ATOM 0 H ILE A 28 2.574 -1.409 8.751 1.00 10.00 H new ATOM 0 HA ILE A 28 5.337 -1.399 9.486 1.00 10.00 H new ATOM 0 HB ILE A 28 3.671 0.508 7.887 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.667 -1.785 6.958 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.239 -0.532 5.876 1.00 10.00 H new ATOM 0 HG21 ILE A 28 5.806 1.274 6.853 1.00 10.00 H new ATOM 0 HG22 ILE A 28 5.688 1.636 8.592 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.695 0.280 8.032 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.708 -2.509 5.782 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.588 -1.105 6.432 1.00 10.00 H new ATOM 0 HD13 ILE A 28 6.006 -2.378 7.531 1.00 10.00 H new ATOM 442 N GLU A 29 5.654 0.574 11.001 1.00 10.00 N ATOM 443 CA GLU A 29 5.887 1.546 12.052 1.00 10.00 C ATOM 444 C GLU A 29 5.932 2.953 11.443 1.00 10.00 C ATOM 445 O GLU A 29 6.674 3.201 10.495 1.00 10.00 O ATOM 446 CB GLU A 29 7.192 1.169 12.766 1.00 10.00 C ATOM 447 CG GLU A 29 7.040 -0.182 13.487 1.00 10.00 C ATOM 448 CD GLU A 29 8.388 -0.828 13.776 1.00 10.00 C ATOM 449 OE1 GLU A 29 9.060 -0.348 14.713 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.715 -1.794 13.053 1.00 10.00 O ATOM 0 H GLU A 29 6.505 0.092 10.710 1.00 10.00 H new ATOM 0 HA GLU A 29 5.082 1.544 12.787 1.00 10.00 H new ATOM 0 HB2 GLU A 29 8.006 1.113 12.043 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.457 1.944 13.485 1.00 10.00 H new ATOM 0 HG2 GLU A 29 6.500 -0.035 14.422 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.439 -0.854 12.875 1.00 10.00 H new ATOM 457 N GLY A 30 5.116 3.871 11.970 1.00 10.00 N ATOM 458 CA GLY A 30 5.085 5.264 11.544 1.00 10.00 C ATOM 459 C GLY A 30 4.256 5.464 10.276 1.00 10.00 C ATOM 460 O GLY A 30 4.449 6.440 9.546 1.00 10.00 O ATOM 0 H GLY A 30 4.451 3.659 12.714 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.673 5.878 12.345 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.103 5.611 11.368 1.00 10.00 H new ATOM 464 N VAL A 31 3.297 4.565 10.041 1.00 10.00 N ATOM 465 CA VAL A 31 2.248 4.750 9.052 1.00 10.00 C ATOM 466 C VAL A 31 1.111 5.541 9.704 1.00 10.00 C ATOM 467 O VAL A 31 0.920 5.450 10.916 1.00 10.00 O ATOM 468 CB VAL A 31 1.793 3.373 8.537 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.954 2.623 9.582 1.00 10.00 C ATOM 470 CG2 VAL A 31 1.007 3.483 7.225 1.00 10.00 C ATOM 0 H VAL A 31 3.232 3.679 10.542 1.00 10.00 H new ATOM 0 HA VAL A 31 2.602 5.315 8.190 1.00 10.00 H new ATOM 0 HB VAL A 31 2.703 2.803 8.347 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.652 1.656 9.180 1.00 10.00 H new ATOM 0 HG12 VAL A 31 1.547 2.472 10.484 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.067 3.208 9.824 1.00 10.00 H new ATOM 0 HG21 VAL A 31 0.705 2.488 6.897 1.00 10.00 H new ATOM 0 HG22 VAL A 31 0.121 4.098 7.382 1.00 10.00 H new ATOM 0 HG23 VAL A 31 1.636 3.941 6.462 1.00 10.00 H new ATOM 480 N ALA A 32 0.355 6.309 8.914 1.00 10.00 N ATOM 481 CA ALA A 32 -0.874 6.949 9.364 1.00 10.00 C ATOM 482 C ALA A 32 -2.086 6.158 8.874 1.00 10.00 C ATOM 483 O ALA A 32 -2.879 5.701 9.690 1.00 10.00 O ATOM 484 CB ALA A 32 -0.929 8.406 8.903 1.00 10.00 C ATOM 0 H ALA A 32 0.584 6.502 7.939 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.891 6.954 10.454 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.855 8.863 9.251 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -0.079 8.950 9.315 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.892 8.445 7.814 1.00 10.00 H new ATOM 490 N ASN A 33 -2.242 5.994 7.554 1.00 10.00 N ATOM 491 CA ASN A 33 -3.394 5.318 6.959 1.00 10.00 C ATOM 492 C ASN A 33 -2.975 4.702 5.629 1.00 10.00 C ATOM 493 O ASN A 33 -1.890 4.988 5.131 1.00 10.00 O ATOM 494 CB ASN A 33 -4.566 6.286 6.709 1.00 10.00 C ATOM 495 CG ASN A 33 -5.120 6.942 7.967 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.715 6.275 8.807 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.979 8.256 8.090 1.00 10.00 N ATOM 0 H ASN A 33 -1.566 6.330 6.868 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.730 4.553 7.659 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -4.237 7.066 6.022 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.370 5.743 6.213 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.371 8.737 8.899 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.479 8.784 7.375 1.00 10.00 H new ATOM 504 N ALA A 34 -3.853 3.887 5.041 1.00 10.00 N ATOM 505 CA ALA A 34 -3.662 3.285 3.728 1.00 10.00 C ATOM 506 C ALA A 34 -4.935 2.613 3.194 1.00 10.00 C ATOM 507 O ALA A 34 -4.896 1.419 2.911 1.00 10.00 O ATOM 508 CB ALA A 34 -2.518 2.268 3.789 1.00 10.00 C ATOM 0 H ALA A 34 -4.736 3.624 5.478 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.413 4.089 3.035 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.377 1.819 2.806 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.600 2.771 4.093 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.762 1.489 4.512 1.00 10.00 H new ATOM 514 N PRO A 35 -6.055 3.332 3.028 1.00 10.00 N ATOM 515 CA PRO A 35 -7.244 2.766 2.407 1.00 10.00 C ATOM 516 C PRO A 35 -6.964 2.443 0.932 1.00 10.00 C ATOM 517 O PRO A 35 -6.560 3.328 0.175 1.00 10.00 O ATOM 518 CB PRO A 35 -8.326 3.838 2.564 1.00 10.00 C ATOM 519 CG PRO A 35 -7.532 5.144 2.618 1.00 10.00 C ATOM 520 CD PRO A 35 -6.255 4.736 3.353 1.00 10.00 C ATOM 0 HA PRO A 35 -7.556 1.829 2.867 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.025 3.828 1.728 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.912 3.687 3.471 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.319 5.529 1.621 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.074 5.925 3.152 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.406 5.339 3.030 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.358 4.880 4.429 1.00 10.00 H new ATOM 528 N VAL A 36 -7.158 1.189 0.511 1.00 10.00 N ATOM 529 CA VAL A 36 -6.931 0.793 -0.869 1.00 10.00 C ATOM 530 C VAL A 36 -8.210 0.986 -1.692 1.00 10.00 C ATOM 531 O VAL A 36 -9.283 0.496 -1.346 1.00 10.00 O ATOM 532 CB VAL A 36 -6.399 -0.641 -0.924 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.037 -0.981 -2.369 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.132 -0.828 -0.081 1.00 10.00 C ATOM 0 H VAL A 36 -7.474 0.431 1.116 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.169 1.432 -1.316 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.182 -1.289 -0.530 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -5.657 -2.001 -2.418 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -6.924 -0.894 -2.997 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -5.272 -0.291 -2.724 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -4.796 -1.862 -0.154 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.349 -0.165 -0.449 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.349 -0.590 0.960 1.00 10.00 H new ATOM 544 N ASN A 37 -8.100 1.720 -2.800 1.00 10.00 N ATOM 545 CA ASN A 37 -9.221 2.162 -3.605 1.00 10.00 C ATOM 546 C ASN A 37 -9.502 1.115 -4.688 1.00 10.00 C ATOM 547 O ASN A 37 -9.022 1.215 -5.826 1.00 10.00 O ATOM 548 CB ASN A 37 -8.905 3.561 -4.148 1.00 10.00 C ATOM 549 CG ASN A 37 -10.064 4.136 -4.944 1.00 10.00 C ATOM 550 OD1 ASN A 37 -10.791 5.012 -4.492 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.220 3.633 -6.156 1.00 10.00 N ATOM 0 H ASN A 37 -7.199 2.028 -3.166 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.138 2.250 -3.023 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -8.669 4.227 -3.318 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.019 3.513 -4.781 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.970 3.974 -6.757 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.590 2.904 -6.491 1.00 10.00 H new ATOM 558 N PHE A 38 -10.298 0.109 -4.316 1.00 10.00 N ATOM 559 CA PHE A 38 -10.664 -1.031 -5.152 1.00 10.00 C ATOM 560 C PHE A 38 -11.629 -0.631 -6.279 1.00 10.00 C ATOM 561 O PHE A 38 -12.803 -0.995 -6.278 1.00 10.00 O ATOM 562 CB PHE A 38 -11.248 -2.141 -4.269 1.00 10.00 C ATOM 563 CG PHE A 38 -11.214 -3.514 -4.909 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.006 -4.228 -4.922 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.353 -4.060 -5.531 1.00 10.00 C ATOM 566 CE1 PHE A 38 -9.941 -5.502 -5.505 1.00 10.00 C ATOM 567 CE2 PHE A 38 -12.279 -5.320 -6.150 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.074 -6.044 -6.133 1.00 10.00 C ATOM 0 H PHE A 38 -10.720 0.067 -3.388 1.00 10.00 H new ATOM 0 HA PHE A 38 -9.766 -1.407 -5.643 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -10.695 -2.174 -3.330 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.280 -1.891 -4.022 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.121 -3.794 -4.480 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.283 -3.511 -5.533 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.020 -6.066 -5.471 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -13.149 -5.732 -6.639 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.020 -7.015 -6.602 1.00 10.00 H new ATOM 578 N ALA A 39 -11.113 0.124 -7.245 1.00 10.00 N ATOM 579 CA ALA A 39 -11.786 0.495 -8.486 1.00 10.00 C ATOM 580 C ALA A 39 -10.736 0.955 -9.499 1.00 10.00 C ATOM 581 O ALA A 39 -10.634 0.427 -10.600 1.00 10.00 O ATOM 582 CB ALA A 39 -12.820 1.595 -8.219 1.00 10.00 C ATOM 0 H ALA A 39 -10.172 0.511 -7.181 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.318 -0.365 -8.893 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.315 1.863 -9.152 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.561 1.233 -7.506 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.320 2.472 -7.808 1.00 10.00 H new ATOM 588 N LEU A 40 -9.931 1.934 -9.081 1.00 10.00 N ATOM 589 CA LEU A 40 -8.792 2.472 -9.818 1.00 10.00 C ATOM 590 C LEU A 40 -7.552 1.592 -9.605 1.00 10.00 C ATOM 591 O LEU A 40 -6.496 1.873 -10.166 1.00 10.00 O ATOM 592 CB LEU A 40 -8.488 3.906 -9.341 1.00 10.00 C ATOM 593 CG LEU A 40 -9.652 4.862 -9.252 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.335 6.093 -8.392 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.122 5.283 -10.636 1.00 10.00 C ATOM 0 H LEU A 40 -10.063 2.392 -8.179 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.042 2.485 -10.879 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.025 3.844 -8.356 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.747 4.337 -10.015 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.461 4.324 -8.758 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.205 6.749 -8.360 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.083 5.775 -7.380 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.491 6.631 -8.824 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.962 5.972 -10.541 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.305 5.777 -11.163 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.436 4.403 -11.197 1.00 10.00 H new ATOM 607 N GLU A 41 -7.661 0.586 -8.728 1.00 10.00 N ATOM 608 CA GLU A 41 -6.600 -0.364 -8.390 1.00 10.00 C ATOM 609 C GLU A 41 -5.386 0.431 -7.900 1.00 10.00 C ATOM 610 O GLU A 41 -4.252 0.239 -8.321 1.00 10.00 O ATOM 611 CB GLU A 41 -6.314 -1.352 -9.548 1.00 10.00 C ATOM 612 CG GLU A 41 -6.054 -2.777 -9.009 1.00 10.00 C ATOM 613 CD GLU A 41 -5.616 -3.805 -10.063 1.00 10.00 C ATOM 614 OE1 GLU A 41 -5.998 -3.605 -11.237 1.00 10.00 O ATOM 615 OE2 GLU A 41 -4.959 -4.805 -9.673 1.00 10.00 O ATOM 0 H GLU A 41 -8.525 0.407 -8.216 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.912 -1.019 -7.576 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -7.160 -1.368 -10.235 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.449 -1.011 -10.116 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.286 -2.722 -8.237 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.963 -3.138 -8.528 1.00 10.00 H new ATOM 622 N THR A 42 -5.671 1.388 -7.016 1.00 10.00 N ATOM 623 CA THR A 42 -4.727 2.363 -6.498 1.00 10.00 C ATOM 624 C THR A 42 -4.886 2.374 -4.978 1.00 10.00 C ATOM 625 O THR A 42 -5.982 2.111 -4.486 1.00 10.00 O ATOM 626 CB THR A 42 -5.058 3.728 -7.132 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.941 3.665 -8.543 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.153 4.866 -6.650 1.00 10.00 C ATOM 0 H THR A 42 -6.607 1.505 -6.629 1.00 10.00 H new ATOM 0 HA THR A 42 -3.691 2.126 -6.740 1.00 10.00 H new ATOM 0 HB THR A 42 -6.080 3.944 -6.822 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.547 2.978 -8.891 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.445 5.795 -7.139 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.252 4.977 -5.570 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.117 4.636 -6.897 1.00 10.00 H new ATOM 636 N VAL A 43 -3.824 2.674 -4.228 1.00 10.00 N ATOM 637 CA VAL A 43 -3.875 2.920 -2.792 1.00 10.00 C ATOM 638 C VAL A 43 -3.329 4.314 -2.518 1.00 10.00 C ATOM 639 O VAL A 43 -2.414 4.763 -3.209 1.00 10.00 O ATOM 640 CB VAL A 43 -3.089 1.843 -2.026 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.617 1.791 -2.449 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.167 2.040 -0.505 1.00 10.00 C ATOM 0 H VAL A 43 -2.884 2.754 -4.615 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.906 2.867 -2.442 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.564 0.896 -2.284 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.102 1.016 -1.881 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.552 1.565 -3.513 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.148 2.755 -2.254 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.597 1.256 -0.007 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.752 3.013 -0.242 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.208 1.991 -0.185 1.00 10.00 H new ATOM 652 N THR A 44 -3.894 4.972 -1.505 1.00 10.00 N ATOM 653 CA THR A 44 -3.473 6.258 -0.999 1.00 10.00 C ATOM 654 C THR A 44 -2.892 6.037 0.400 1.00 10.00 C ATOM 655 O THR A 44 -3.628 5.992 1.382 1.00 10.00 O ATOM 656 CB THR A 44 -4.705 7.169 -0.973 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.890 6.458 -0.662 1.00 10.00 O ATOM 658 CG2 THR A 44 -4.906 7.878 -2.313 1.00 10.00 C ATOM 0 H THR A 44 -4.695 4.596 -0.998 1.00 10.00 H new ATOM 0 HA THR A 44 -2.709 6.728 -1.619 1.00 10.00 H new ATOM 0 HB THR A 44 -4.514 7.904 -0.191 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.650 7.076 -0.654 1.00 10.00 H new ATOM 0 HG21 THR A 44 -5.788 8.516 -2.259 1.00 10.00 H new ATOM 0 HG22 THR A 44 -4.031 8.488 -2.537 1.00 10.00 H new ATOM 0 HG23 THR A 44 -5.042 7.136 -3.100 1.00 10.00 H new ATOM 666 N VAL A 45 -1.574 5.870 0.497 1.00 10.00 N ATOM 667 CA VAL A 45 -0.905 5.620 1.764 1.00 10.00 C ATOM 668 C VAL A 45 -0.544 6.960 2.395 1.00 10.00 C ATOM 669 O VAL A 45 0.108 7.788 1.763 1.00 10.00 O ATOM 670 CB VAL A 45 0.327 4.733 1.549 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.008 4.367 2.876 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.092 3.428 0.861 1.00 10.00 C ATOM 0 H VAL A 45 -0.943 5.905 -0.304 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.566 5.082 2.444 1.00 10.00 H new ATOM 0 HB VAL A 45 1.028 5.298 0.934 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.876 3.738 2.678 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.327 5.277 3.384 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.305 3.826 3.509 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.785 2.799 0.709 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.812 2.901 1.487 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.547 3.655 -0.103 1.00 10.00 H new ATOM 682 N GLU A 46 -0.958 7.164 3.642 1.00 10.00 N ATOM 683 CA GLU A 46 -0.557 8.288 4.459 1.00 10.00 C ATOM 684 C GLU A 46 0.478 7.763 5.450 1.00 10.00 C ATOM 685 O GLU A 46 0.187 6.840 6.213 1.00 10.00 O ATOM 686 CB GLU A 46 -1.798 8.854 5.156 1.00 10.00 C ATOM 687 CG GLU A 46 -2.770 9.469 4.139 1.00 10.00 C ATOM 688 CD GLU A 46 -4.044 10.014 4.768 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.263 9.729 5.965 1.00 10.00 O ATOM 690 OE2 GLU A 46 -4.786 10.696 4.023 1.00 10.00 O ATOM 0 H GLU A 46 -1.599 6.530 4.119 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.116 9.098 3.878 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.300 8.062 5.711 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.498 9.611 5.881 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -2.264 10.274 3.606 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -3.034 8.714 3.399 1.00 10.00 H new ATOM 697 N TYR A 47 1.683 8.330 5.435 1.00 10.00 N ATOM 698 CA TYR A 47 2.764 8.024 6.359 1.00 10.00 C ATOM 699 C TYR A 47 3.662 9.254 6.412 1.00 10.00 C ATOM 700 O TYR A 47 3.363 10.255 5.762 1.00 10.00 O ATOM 701 CB TYR A 47 3.536 6.765 5.930 1.00 10.00 C ATOM 702 CG TYR A 47 4.401 6.921 4.693 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.820 6.875 3.413 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.786 7.145 4.820 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.612 7.098 2.277 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.560 7.435 3.684 1.00 10.00 C ATOM 707 CZ TYR A 47 5.957 7.467 2.419 1.00 10.00 C ATOM 708 OH TYR A 47 6.642 7.957 1.354 1.00 10.00 O ATOM 0 H TYR A 47 1.939 9.042 4.751 1.00 10.00 H new ATOM 0 HA TYR A 47 2.371 7.800 7.351 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.170 6.449 6.758 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.819 5.963 5.753 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.765 6.668 3.305 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.254 7.094 5.792 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.185 6.985 1.291 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.617 7.633 3.785 1.00 10.00 H new ATOM 0 HH TYR A 47 6.752 8.926 1.453 1.00 10.00 H new ATOM 718 N ASN A 48 4.740 9.199 7.192 1.00 10.00 N ATOM 719 CA ASN A 48 5.703 10.287 7.298 1.00 10.00 C ATOM 720 C ASN A 48 7.085 9.769 6.887 1.00 10.00 C ATOM 721 O ASN A 48 7.503 8.739 7.418 1.00 10.00 O ATOM 722 CB ASN A 48 5.711 10.808 8.733 1.00 10.00 C ATOM 723 CG ASN A 48 6.567 12.059 8.832 1.00 10.00 C ATOM 724 OD1 ASN A 48 6.101 13.162 8.566 1.00 10.00 O ATOM 725 ND2 ASN A 48 7.833 11.896 9.187 1.00 10.00 N ATOM 0 H ASN A 48 4.969 8.391 7.771 1.00 10.00 H new ATOM 0 HA ASN A 48 5.431 11.109 6.636 1.00 10.00 H new ATOM 0 HB2 ASN A 48 4.693 11.029 9.053 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.097 10.041 9.404 1.00 10.00 H new ATOM 0 HD21 ASN A 48 8.454 12.703 9.246 1.00 10.00 H new ATOM 0 HD22 ASN A 48 8.187 10.964 9.401 1.00 10.00 H new ATOM 732 N PRO A 49 7.805 10.444 5.974 1.00 10.00 N ATOM 733 CA PRO A 49 9.052 9.952 5.395 1.00 10.00 C ATOM 734 C PRO A 49 10.227 10.176 6.352 1.00 10.00 C ATOM 735 O PRO A 49 11.233 10.792 6.006 1.00 10.00 O ATOM 736 CB PRO A 49 9.201 10.729 4.084 1.00 10.00 C ATOM 737 CG PRO A 49 8.604 12.087 4.450 1.00 10.00 C ATOM 738 CD PRO A 49 7.420 11.690 5.333 1.00 10.00 C ATOM 0 HA PRO A 49 9.041 8.877 5.216 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.243 10.811 3.775 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.662 10.254 3.265 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.317 12.715 4.983 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.286 12.643 3.568 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.208 12.462 6.073 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.515 11.561 4.739 1.00 10.00 H new ATOM 746 N LYS A 50 10.096 9.661 7.572 1.00 10.00 N ATOM 747 CA LYS A 50 11.134 9.668 8.587 1.00 10.00 C ATOM 748 C LYS A 50 10.948 8.435 9.478 1.00 10.00 C ATOM 749 O LYS A 50 11.476 8.410 10.579 1.00 10.00 O ATOM 750 CB LYS A 50 11.046 10.996 9.366 1.00 10.00 C ATOM 751 CG LYS A 50 12.374 11.594 9.868 1.00 10.00 C ATOM 752 CD LYS A 50 12.900 10.989 11.182 1.00 10.00 C ATOM 753 CE LYS A 50 13.870 9.809 10.985 1.00 10.00 C ATOM 754 NZ LYS A 50 13.619 8.718 11.959 1.00 10.00 N ATOM 0 H LYS A 50 9.235 9.214 7.887 1.00 10.00 H new ATOM 0 HA LYS A 50 12.133 9.610 8.154 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.561 11.734 8.727 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.395 10.843 10.227 1.00 10.00 H new ATOM 0 HG2 LYS A 50 13.131 11.461 9.095 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.244 12.667 10.005 1.00 10.00 H new ATOM 0 HD2 LYS A 50 13.404 11.769 11.753 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.053 10.653 11.780 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.769 9.421 9.971 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.896 10.161 11.091 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.382 8.014 11.896 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.590 9.112 12.921 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 12.709 8.263 11.743 1.00 10.00 H new ATOM 768 N GLU A 51 10.211 7.418 9.019 1.00 10.00 N ATOM 769 CA GLU A 51 9.949 6.194 9.764 1.00 10.00 C ATOM 770 C GLU A 51 9.875 5.057 8.748 1.00 10.00 C ATOM 771 O GLU A 51 10.766 4.214 8.681 1.00 10.00 O ATOM 772 CB GLU A 51 8.635 6.326 10.555 1.00 10.00 C ATOM 773 CG GLU A 51 8.725 7.263 11.771 1.00 10.00 C ATOM 774 CD GLU A 51 9.599 6.689 12.884 1.00 10.00 C ATOM 775 OE1 GLU A 51 9.070 5.808 13.594 1.00 10.00 O ATOM 776 OE2 GLU A 51 10.763 7.140 13.009 1.00 10.00 O ATOM 0 H GLU A 51 9.773 7.429 8.098 1.00 10.00 H new ATOM 0 HA GLU A 51 10.739 5.996 10.489 1.00 10.00 H new ATOM 0 HB2 GLU A 51 7.856 6.691 9.886 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.327 5.337 10.894 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.128 8.225 11.456 1.00 10.00 H new ATOM 0 HG3 GLU A 51 7.723 7.449 12.158 1.00 10.00 H new ATOM 783 N ALA A 52 8.828 5.078 7.921 1.00 10.00 N ATOM 784 CA ALA A 52 8.635 4.160 6.820 1.00 10.00 C ATOM 785 C ALA A 52 9.196 4.785 5.545 1.00 10.00 C ATOM 786 O ALA A 52 9.510 5.975 5.514 1.00 10.00 O ATOM 787 CB ALA A 52 7.136 3.893 6.674 1.00 10.00 C ATOM 0 H ALA A 52 8.074 5.759 8.010 1.00 10.00 H new ATOM 0 HA ALA A 52 9.154 3.219 7.003 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.968 3.202 5.848 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.753 3.456 7.596 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.617 4.831 6.474 1.00 10.00 H new ATOM 793 N SER A 53 9.283 3.971 4.493 1.00 10.00 N ATOM 794 CA SER A 53 9.673 4.396 3.156 1.00 10.00 C ATOM 795 C SER A 53 8.801 3.679 2.128 1.00 10.00 C ATOM 796 O SER A 53 8.367 2.550 2.356 1.00 10.00 O ATOM 797 CB SER A 53 11.143 4.062 2.880 1.00 10.00 C ATOM 798 OG SER A 53 11.956 4.271 4.017 1.00 10.00 O ATOM 0 H SER A 53 9.078 2.974 4.552 1.00 10.00 H new ATOM 0 HA SER A 53 9.540 5.476 3.085 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.225 3.023 2.562 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.506 4.677 2.057 1.00 10.00 H new ATOM 0 HG SER A 53 12.885 4.046 3.801 1.00 10.00 H new ATOM 804 N VAL A 54 8.606 4.309 0.970 1.00 10.00 N ATOM 805 CA VAL A 54 7.827 3.746 -0.119 1.00 10.00 C ATOM 806 C VAL A 54 8.448 2.425 -0.582 1.00 10.00 C ATOM 807 O VAL A 54 7.767 1.404 -0.617 1.00 10.00 O ATOM 808 CB VAL A 54 7.612 4.796 -1.224 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.900 5.388 -1.816 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.743 4.245 -2.357 1.00 10.00 C ATOM 0 H VAL A 54 8.990 5.232 0.765 1.00 10.00 H new ATOM 0 HA VAL A 54 6.824 3.487 0.219 1.00 10.00 H new ATOM 0 HB VAL A 54 7.101 5.614 -0.716 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.645 6.117 -2.585 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.471 5.878 -1.027 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.498 4.590 -2.256 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.611 5.012 -3.120 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.229 3.374 -2.798 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.769 3.956 -1.961 1.00 10.00 H new ATOM 820 N SER A 55 9.754 2.417 -0.869 1.00 10.00 N ATOM 821 CA SER A 55 10.478 1.217 -1.269 1.00 10.00 C ATOM 822 C SER A 55 10.396 0.090 -0.233 1.00 10.00 C ATOM 823 O SER A 55 10.465 -1.080 -0.603 1.00 10.00 O ATOM 824 CB SER A 55 11.938 1.568 -1.557 1.00 10.00 C ATOM 825 OG SER A 55 11.976 2.593 -2.531 1.00 10.00 O ATOM 0 H SER A 55 10.338 3.252 -0.828 1.00 10.00 H new ATOM 0 HA SER A 55 9.998 0.840 -2.172 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.435 1.896 -0.644 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.475 0.689 -1.913 1.00 10.00 H new ATOM 0 HG SER A 55 12.908 2.828 -2.723 1.00 10.00 H new ATOM 831 N ASP A 56 10.273 0.430 1.053 1.00 10.00 N ATOM 832 CA ASP A 56 10.191 -0.569 2.108 1.00 10.00 C ATOM 833 C ASP A 56 8.839 -1.267 2.002 1.00 10.00 C ATOM 834 O ASP A 56 8.762 -2.464 1.718 1.00 10.00 O ATOM 835 CB ASP A 56 10.383 0.099 3.473 1.00 10.00 C ATOM 836 CG ASP A 56 10.242 -0.915 4.595 1.00 10.00 C ATOM 837 OD1 ASP A 56 9.079 -1.176 4.969 1.00 10.00 O ATOM 838 OD2 ASP A 56 11.297 -1.400 5.053 1.00 10.00 O ATOM 0 H ASP A 56 10.228 1.394 1.384 1.00 10.00 H new ATOM 0 HA ASP A 56 10.980 -1.313 2.000 1.00 10.00 H new ATOM 0 HB2 ASP A 56 11.367 0.565 3.520 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.648 0.894 3.601 1.00 10.00 H new ATOM 843 N LEU A 57 7.762 -0.485 2.133 1.00 10.00 N ATOM 844 CA LEU A 57 6.414 -1.029 2.034 1.00 10.00 C ATOM 845 C LEU A 57 6.198 -1.734 0.691 1.00 10.00 C ATOM 846 O LEU A 57 5.464 -2.718 0.619 1.00 10.00 O ATOM 847 CB LEU A 57 5.356 0.016 2.415 1.00 10.00 C ATOM 848 CG LEU A 57 5.243 1.253 1.512 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.455 0.986 0.224 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.546 2.386 2.275 1.00 10.00 C ATOM 0 H LEU A 57 7.802 0.519 2.307 1.00 10.00 H new ATOM 0 HA LEU A 57 6.288 -1.816 2.777 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.384 -0.478 2.437 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.564 0.355 3.430 1.00 10.00 H new ATOM 0 HG LEU A 57 6.260 1.527 1.233 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.410 1.898 -0.371 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.950 0.202 -0.350 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.443 0.667 0.476 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.467 3.263 1.632 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.548 2.064 2.573 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.127 2.638 3.162 1.00 10.00 H new ATOM 862 N LYS A 58 6.885 -1.276 -0.362 1.00 10.00 N ATOM 863 CA LYS A 58 6.928 -1.947 -1.654 1.00 10.00 C ATOM 864 C LYS A 58 7.196 -3.452 -1.494 1.00 10.00 C ATOM 865 O LYS A 58 6.439 -4.267 -2.022 1.00 10.00 O ATOM 866 CB LYS A 58 7.999 -1.287 -2.533 1.00 10.00 C ATOM 867 CG LYS A 58 7.597 -1.135 -3.995 1.00 10.00 C ATOM 868 CD LYS A 58 7.207 -2.481 -4.602 1.00 10.00 C ATOM 869 CE LYS A 58 7.676 -2.504 -6.063 1.00 10.00 C ATOM 870 NZ LYS A 58 6.920 -3.478 -6.859 1.00 10.00 N ATOM 0 H LYS A 58 7.433 -0.416 -0.334 1.00 10.00 H new ATOM 0 HA LYS A 58 5.956 -1.845 -2.137 1.00 10.00 H new ATOM 0 HB2 LYS A 58 8.231 -0.302 -2.127 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.913 -1.878 -2.478 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.760 -0.441 -4.075 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.424 -0.704 -4.560 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.665 -3.297 -4.043 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.128 -2.624 -4.547 1.00 10.00 H new ATOM 0 HE2 LYS A 58 7.562 -1.511 -6.498 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.738 -2.748 -6.101 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 7.416 -3.653 -7.756 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 6.837 -4.369 -6.329 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 5.970 -3.103 -7.057 1.00 10.00 H new ATOM 884 N GLU A 59 8.266 -3.829 -0.780 1.00 10.00 N ATOM 885 CA GLU A 59 8.584 -5.234 -0.541 1.00 10.00 C ATOM 886 C GLU A 59 7.394 -5.908 0.124 1.00 10.00 C ATOM 887 O GLU A 59 7.003 -7.004 -0.253 1.00 10.00 O ATOM 888 CB GLU A 59 9.835 -5.354 0.344 1.00 10.00 C ATOM 889 CG GLU A 59 10.407 -6.785 0.443 1.00 10.00 C ATOM 890 CD GLU A 59 9.731 -7.729 1.450 1.00 10.00 C ATOM 891 OE1 GLU A 59 9.182 -7.243 2.462 1.00 10.00 O ATOM 892 OE2 GLU A 59 9.818 -8.962 1.252 1.00 10.00 O ATOM 0 H GLU A 59 8.925 -3.174 -0.359 1.00 10.00 H new ATOM 0 HA GLU A 59 8.792 -5.727 -1.491 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.608 -4.692 -0.047 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.592 -5.002 1.347 1.00 10.00 H new ATOM 0 HG2 GLU A 59 10.350 -7.243 -0.544 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.464 -6.712 0.701 1.00 10.00 H new ATOM 899 N ALA A 60 6.802 -5.215 1.094 1.00 10.00 N ATOM 900 CA ALA A 60 5.795 -5.773 1.979 1.00 10.00 C ATOM 901 C ALA A 60 4.542 -6.132 1.189 1.00 10.00 C ATOM 902 O ALA A 60 3.927 -7.167 1.441 1.00 10.00 O ATOM 903 CB ALA A 60 5.488 -4.807 3.129 1.00 10.00 C ATOM 0 H ALA A 60 7.015 -4.236 1.286 1.00 10.00 H new ATOM 0 HA ALA A 60 6.182 -6.690 2.423 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.731 -5.245 3.780 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.397 -4.623 3.702 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.117 -3.865 2.724 1.00 10.00 H new ATOM 909 N VAL A 61 4.157 -5.286 0.230 1.00 10.00 N ATOM 910 CA VAL A 61 3.034 -5.574 -0.630 1.00 10.00 C ATOM 911 C VAL A 61 3.383 -6.659 -1.647 1.00 10.00 C ATOM 912 O VAL A 61 2.643 -7.635 -1.759 1.00 10.00 O ATOM 913 CB VAL A 61 2.506 -4.284 -1.255 1.00 10.00 C ATOM 914 CG1 VAL A 61 2.022 -3.323 -0.159 1.00 10.00 C ATOM 915 CG2 VAL A 61 3.490 -3.539 -2.150 1.00 10.00 C ATOM 0 H VAL A 61 4.616 -4.396 0.039 1.00 10.00 H new ATOM 0 HA VAL A 61 2.217 -5.986 -0.038 1.00 10.00 H new ATOM 0 HB VAL A 61 1.691 -4.610 -1.901 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.648 -2.407 -0.617 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.223 -3.795 0.412 1.00 10.00 H new ATOM 0 HG13 VAL A 61 2.851 -3.083 0.507 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.016 -2.639 -2.542 1.00 10.00 H new ATOM 0 HG22 VAL A 61 4.371 -3.262 -1.571 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.788 -4.182 -2.978 1.00 10.00 H new ATOM 925 N ASP A 62 4.525 -6.534 -2.338 1.00 10.00 N ATOM 926 CA ASP A 62 5.028 -7.585 -3.231 1.00 10.00 C ATOM 927 C ASP A 62 4.983 -8.947 -2.526 1.00 10.00 C ATOM 928 O ASP A 62 4.568 -9.944 -3.114 1.00 10.00 O ATOM 929 CB ASP A 62 6.443 -7.268 -3.757 1.00 10.00 C ATOM 930 CG ASP A 62 6.454 -6.850 -5.226 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.307 -5.632 -5.484 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.627 -7.730 -6.101 1.00 10.00 O ATOM 0 H ASP A 62 5.121 -5.708 -2.294 1.00 10.00 H new ATOM 0 HA ASP A 62 4.374 -7.625 -4.102 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.878 -6.470 -3.155 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.077 -8.146 -3.630 1.00 10.00 H new ATOM 937 N LYS A 63 5.351 -8.980 -1.240 1.00 10.00 N ATOM 938 CA LYS A 63 5.348 -10.182 -0.410 1.00 10.00 C ATOM 939 C LYS A 63 3.993 -10.898 -0.384 1.00 10.00 C ATOM 940 O LYS A 63 3.946 -12.109 -0.180 1.00 10.00 O ATOM 941 CB LYS A 63 5.785 -9.812 1.015 1.00 10.00 C ATOM 942 CG LYS A 63 6.602 -10.906 1.705 1.00 10.00 C ATOM 943 CD LYS A 63 7.237 -10.281 2.952 1.00 10.00 C ATOM 944 CE LYS A 63 8.325 -11.171 3.557 1.00 10.00 C ATOM 945 NZ LYS A 63 9.233 -10.363 4.394 1.00 10.00 N ATOM 0 H LYS A 63 5.666 -8.149 -0.739 1.00 10.00 H new ATOM 0 HA LYS A 63 6.052 -10.885 -0.854 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.375 -8.896 0.980 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.900 -9.598 1.614 1.00 10.00 H new ATOM 0 HG2 LYS A 63 5.965 -11.747 1.978 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.370 -11.293 1.035 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.665 -9.313 2.693 1.00 10.00 H new ATOM 0 HD3 LYS A 63 6.464 -10.098 3.698 1.00 10.00 H new ATOM 0 HE2 LYS A 63 7.869 -11.959 4.157 1.00 10.00 H new ATOM 0 HE3 LYS A 63 8.889 -11.660 2.763 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 9.968 -10.976 4.800 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 9.680 -9.627 3.811 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 8.692 -9.916 5.161 1.00 10.00 H new ATOM 959 N LEU A 64 2.888 -10.163 -0.553 1.00 10.00 N ATOM 960 CA LEU A 64 1.548 -10.733 -0.600 1.00 10.00 C ATOM 961 C LEU A 64 1.247 -11.366 -1.966 1.00 10.00 C ATOM 962 O LEU A 64 0.335 -12.184 -2.057 1.00 10.00 O ATOM 963 CB LEU A 64 0.507 -9.664 -0.240 1.00 10.00 C ATOM 964 CG LEU A 64 0.557 -9.263 1.245 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.041 -7.868 1.462 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.225 -10.277 2.090 1.00 10.00 C ATOM 0 H LEU A 64 2.905 -9.149 -0.661 1.00 10.00 H new ATOM 0 HA LEU A 64 1.494 -11.533 0.138 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.672 -8.780 -0.857 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.489 -10.038 -0.478 1.00 10.00 H new ATOM 0 HG LEU A 64 1.603 -9.250 1.551 1.00 10.00 H new ATOM 0 HD11 LEU A 64 0.008 -7.612 2.520 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.524 -7.136 0.885 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.081 -7.863 1.135 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.184 -9.985 3.139 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.264 -10.301 1.760 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.216 -11.267 1.971 1.00 10.00 H new ATOM 978 N GLY A 65 1.991 -11.007 -3.020 1.00 10.00 N ATOM 979 CA GLY A 65 1.918 -11.641 -4.332 1.00 10.00 C ATOM 980 C GLY A 65 1.668 -10.609 -5.427 1.00 10.00 C ATOM 981 O GLY A 65 2.423 -10.523 -6.395 1.00 10.00 O ATOM 0 H GLY A 65 2.674 -10.250 -2.978 1.00 10.00 H new ATOM 0 HA2 GLY A 65 2.848 -12.173 -4.535 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.119 -12.382 -4.337 1.00 10.00 H new ATOM 985 N TYR A 66 0.592 -9.833 -5.279 1.00 10.00 N ATOM 986 CA TYR A 66 0.295 -8.717 -6.171 1.00 10.00 C ATOM 987 C TYR A 66 1.400 -7.670 -6.082 1.00 10.00 C ATOM 988 O TYR A 66 2.095 -7.582 -5.072 1.00 10.00 O ATOM 989 CB TYR A 66 -1.072 -8.093 -5.859 1.00 10.00 C ATOM 990 CG TYR A 66 -1.493 -8.169 -4.409 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.947 -7.287 -3.458 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.305 -9.236 -3.984 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.326 -7.393 -2.110 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.622 -9.378 -2.627 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.236 -8.388 -1.714 1.00 10.00 C ATOM 996 OH TYR A 66 -2.716 -8.428 -0.440 1.00 10.00 O ATOM 0 H TYR A 66 -0.096 -9.963 -4.537 1.00 10.00 H new ATOM 0 HA TYR A 66 0.251 -9.101 -7.190 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -1.054 -7.046 -6.162 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.828 -8.589 -6.468 1.00 10.00 H new ATOM 0 HD1 TYR A 66 -0.239 -6.531 -3.764 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.684 -9.946 -4.704 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.919 -6.711 -1.379 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.163 -10.248 -2.285 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.577 -7.962 -0.400 1.00 10.00 H new ATOM 1006 N LYS A 67 1.551 -6.879 -7.144 1.00 10.00 N ATOM 1007 CA LYS A 67 2.621 -5.900 -7.260 1.00 10.00 C ATOM 1008 C LYS A 67 2.064 -4.493 -7.087 1.00 10.00 C ATOM 1009 O LYS A 67 0.860 -4.284 -7.192 1.00 10.00 O ATOM 1010 CB LYS A 67 3.375 -6.073 -8.593 1.00 10.00 C ATOM 1011 CG LYS A 67 4.853 -6.292 -8.282 1.00 10.00 C ATOM 1012 CD LYS A 67 5.775 -6.341 -9.507 1.00 10.00 C ATOM 1013 CE LYS A 67 5.704 -7.681 -10.247 1.00 10.00 C ATOM 1014 NZ LYS A 67 6.166 -8.802 -9.397 1.00 10.00 N ATOM 0 H LYS A 67 0.928 -6.903 -7.951 1.00 10.00 H new ATOM 0 HA LYS A 67 3.347 -6.064 -6.464 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.974 -6.921 -9.149 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.245 -5.191 -9.220 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.192 -5.493 -7.623 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.958 -7.226 -7.730 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.505 -5.537 -10.192 1.00 10.00 H new ATOM 0 HD3 LYS A 67 6.802 -6.159 -9.191 1.00 10.00 H new ATOM 0 HE2 LYS A 67 4.679 -7.866 -10.567 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.315 -7.632 -11.148 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 6.427 -9.609 -9.999 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.994 -8.500 -8.844 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 5.402 -9.085 -8.750 1.00 10.00 H new ATOM 1028 N LEU A 68 2.953 -3.536 -6.818 1.00 10.00 N ATOM 1029 CA LEU A 68 2.655 -2.144 -6.563 1.00 10.00 C ATOM 1030 C LEU A 68 3.745 -1.333 -7.249 1.00 10.00 C ATOM 1031 O LEU A 68 4.868 -1.830 -7.395 1.00 10.00 O ATOM 1032 CB LEU A 68 2.667 -1.913 -5.049 1.00 10.00 C ATOM 1033 CG LEU A 68 2.279 -0.507 -4.563 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.370 -0.574 -3.327 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.545 0.286 -4.198 1.00 10.00 C ATOM 0 H LEU A 68 3.953 -3.732 -6.772 1.00 10.00 H new ATOM 0 HA LEU A 68 1.677 -1.851 -6.943 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.988 -2.631 -4.590 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.667 -2.137 -4.678 1.00 10.00 H new ATOM 0 HG LEU A 68 1.740 -0.014 -5.372 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.114 0.436 -3.009 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.459 -1.118 -3.575 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.891 -1.088 -2.519 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.264 1.282 -3.854 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.084 -0.233 -3.405 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.186 0.372 -5.076 1.00 10.00 H new ATOM 1047 N LYS A 69 3.418 -0.107 -7.641 1.00 10.00 N ATOM 1048 CA LYS A 69 4.323 0.869 -8.215 1.00 10.00 C ATOM 1049 C LYS A 69 3.790 2.272 -7.915 1.00 10.00 C ATOM 1050 O LYS A 69 2.665 2.413 -7.448 1.00 10.00 O ATOM 1051 CB LYS A 69 4.510 0.602 -9.708 1.00 10.00 C ATOM 1052 CG LYS A 69 3.195 0.550 -10.490 1.00 10.00 C ATOM 1053 CD LYS A 69 3.481 0.660 -11.997 1.00 10.00 C ATOM 1054 CE LYS A 69 2.195 0.920 -12.789 1.00 10.00 C ATOM 1055 NZ LYS A 69 1.237 -0.201 -12.727 1.00 10.00 N ATOM 0 H LYS A 69 2.465 0.246 -7.561 1.00 10.00 H new ATOM 0 HA LYS A 69 5.313 0.789 -7.767 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.144 1.381 -10.131 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.037 -0.343 -9.836 1.00 10.00 H new ATOM 0 HG2 LYS A 69 2.671 -0.382 -10.277 1.00 10.00 H new ATOM 0 HG3 LYS A 69 2.541 1.363 -10.174 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.191 1.467 -12.177 1.00 10.00 H new ATOM 0 HD3 LYS A 69 3.948 -0.260 -12.349 1.00 10.00 H new ATOM 0 HE2 LYS A 69 1.716 1.821 -12.405 1.00 10.00 H new ATOM 0 HE3 LYS A 69 2.451 1.114 -13.831 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 0.304 0.121 -13.056 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 1.570 -0.976 -13.335 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 1.161 -0.539 -11.746 1.00 10.00 H new ATOM 1069 N LEU A 70 4.594 3.307 -8.152 1.00 10.00 N ATOM 1070 CA LEU A 70 4.246 4.684 -7.807 1.00 10.00 C ATOM 1071 C LEU A 70 3.103 5.218 -8.666 1.00 10.00 C ATOM 1072 O LEU A 70 2.944 4.820 -9.820 1.00 10.00 O ATOM 1073 CB LEU A 70 5.508 5.562 -7.849 1.00 10.00 C ATOM 1074 CG LEU A 70 5.337 7.094 -7.922 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.643 7.749 -7.454 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.053 7.597 -9.348 1.00 10.00 C ATOM 0 H LEU A 70 5.510 3.213 -8.591 1.00 10.00 H new ATOM 0 HA LEU A 70 3.863 4.710 -6.787 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.099 5.336 -6.961 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.098 5.253 -8.712 1.00 10.00 H new ATOM 0 HG LEU A 70 4.486 7.355 -7.293 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.542 8.833 -7.498 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.855 7.446 -6.429 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.461 7.434 -8.102 1.00 10.00 H new ATOM 0 HD21 LEU A 70 4.942 8.681 -9.336 1.00 10.00 H new ATOM 0 HD22 LEU A 70 5.881 7.324 -10.002 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.134 7.143 -9.718 1.00 10.00 H new ATOM 1088 N LYS A 71 2.326 6.141 -8.088 1.00 10.00 N ATOM 1089 CA LYS A 71 1.256 6.871 -8.762 1.00 10.00 C ATOM 1090 C LYS A 71 1.259 8.378 -8.508 1.00 10.00 C ATOM 1091 O LYS A 71 0.851 9.127 -9.399 1.00 10.00 O ATOM 1092 CB LYS A 71 -0.125 6.272 -8.461 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.772 5.621 -9.688 1.00 10.00 C ATOM 1094 CD LYS A 71 -1.070 6.537 -10.890 1.00 10.00 C ATOM 1095 CE LYS A 71 -2.173 7.588 -10.682 1.00 10.00 C ATOM 1096 NZ LYS A 71 -1.758 8.724 -9.835 1.00 10.00 N ATOM 0 H LYS A 71 2.431 6.406 -7.109 1.00 10.00 H new ATOM 0 HA LYS A 71 1.468 6.747 -9.824 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.029 5.529 -7.670 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.781 7.056 -8.083 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -0.120 4.817 -10.028 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.708 5.160 -9.373 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.150 7.054 -11.164 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.348 5.911 -11.738 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.489 7.967 -11.654 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -3.040 7.107 -10.230 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -2.288 9.575 -10.111 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -1.953 8.503 -8.838 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -0.740 8.895 -9.959 1.00 10.00 H new ATOM 1110 N GLY A 72 1.643 8.830 -7.317 1.00 10.00 N ATOM 1111 CA GLY A 72 1.618 10.241 -6.971 1.00 10.00 C ATOM 1112 C GLY A 72 2.146 10.423 -5.554 1.00 10.00 C ATOM 1113 O GLY A 72 2.432 9.433 -4.882 1.00 10.00 O ATOM 0 H GLY A 72 1.979 8.225 -6.568 1.00 10.00 H new ATOM 0 HA2 GLY A 72 2.227 10.810 -7.674 1.00 10.00 H new ATOM 0 HA3 GLY A 72 0.601 10.627 -7.045 1.00 10.00 H new ATOM 1117 N GLU A 73 2.284 11.678 -5.116 1.00 10.00 N ATOM 1118 CA GLU A 73 2.834 12.009 -3.805 1.00 10.00 C ATOM 1119 C GLU A 73 2.358 13.390 -3.344 1.00 10.00 C ATOM 1120 O GLU A 73 3.142 14.218 -2.884 1.00 10.00 O ATOM 1121 CB GLU A 73 4.364 11.839 -3.831 1.00 10.00 C ATOM 1122 CG GLU A 73 4.961 11.399 -2.490 1.00 10.00 C ATOM 1123 CD GLU A 73 6.397 10.927 -2.693 1.00 10.00 C ATOM 1124 OE1 GLU A 73 7.253 11.804 -2.938 1.00 10.00 O ATOM 1125 OE2 GLU A 73 6.598 9.693 -2.671 1.00 10.00 O ATOM 0 H GLU A 73 2.015 12.494 -5.666 1.00 10.00 H new ATOM 0 HA GLU A 73 2.458 11.317 -3.052 1.00 10.00 H new ATOM 0 HB2 GLU A 73 4.626 11.105 -4.593 1.00 10.00 H new ATOM 0 HB3 GLU A 73 4.820 12.783 -4.129 1.00 10.00 H new ATOM 0 HG2 GLU A 73 4.938 12.227 -1.782 1.00 10.00 H new ATOM 0 HG3 GLU A 73 4.362 10.596 -2.061 1.00 10.00 H new ATOM 1132 N GLN A 74 1.056 13.645 -3.498 1.00 10.00 N ATOM 1133 CA GLN A 74 0.401 14.865 -3.056 1.00 10.00 C ATOM 1134 C GLN A 74 -1.107 14.614 -3.083 1.00 10.00 C ATOM 1135 O GLN A 74 -1.591 13.984 -4.020 1.00 10.00 O ATOM 1136 CB GLN A 74 0.786 16.034 -3.980 1.00 10.00 C ATOM 1137 CG GLN A 74 0.327 17.390 -3.427 1.00 10.00 C ATOM 1138 CD GLN A 74 0.844 18.553 -4.275 1.00 10.00 C ATOM 1139 OE1 GLN A 74 1.032 18.428 -5.480 1.00 10.00 O ATOM 1140 NE2 GLN A 74 1.101 19.700 -3.653 1.00 10.00 N ATOM 0 H GLN A 74 0.418 12.988 -3.946 1.00 10.00 H new ATOM 0 HA GLN A 74 0.714 15.132 -2.046 1.00 10.00 H new ATOM 0 HB2 GLN A 74 1.868 16.047 -4.115 1.00 10.00 H new ATOM 0 HB3 GLN A 74 0.344 15.877 -4.964 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -0.762 17.420 -3.395 1.00 10.00 H new ATOM 0 HG3 GLN A 74 0.680 17.503 -2.402 1.00 10.00 H new ATOM 0 HE21 GLN A 74 0.938 19.784 -2.650 1.00 10.00 H new ATOM 0 HE22 GLN A 74 1.461 20.496 -4.179 1.00 10.00 H new ATOM 1149 N ASP A 75 -1.818 15.071 -2.048 1.00 10.00 N ATOM 1150 CA ASP A 75 -3.275 15.188 -2.008 1.00 10.00 C ATOM 1151 C ASP A 75 -3.603 16.438 -1.191 1.00 10.00 C ATOM 1152 O ASP A 75 -3.747 16.348 0.028 1.00 10.00 O ATOM 1153 CB ASP A 75 -3.837 13.923 -1.348 1.00 10.00 C ATOM 1154 CG ASP A 75 -5.308 14.001 -0.943 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -6.042 14.812 -1.545 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -5.681 13.211 -0.039 1.00 10.00 O ATOM 0 H ASP A 75 -1.376 15.381 -1.183 1.00 10.00 H new ATOM 0 HA ASP A 75 -3.715 15.281 -3.001 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -3.709 13.086 -2.035 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -3.244 13.701 -0.461 1.00 10.00 H new ATOM 1161 N SER A 76 -3.614 17.624 -1.818 1.00 10.00 N ATOM 1162 CA SER A 76 -3.852 18.877 -1.105 1.00 10.00 C ATOM 1163 C SER A 76 -4.024 20.047 -2.084 1.00 10.00 C ATOM 1164 O SER A 76 -3.131 20.880 -2.225 1.00 10.00 O ATOM 1165 CB SER A 76 -2.741 19.164 -0.073 1.00 10.00 C ATOM 1166 OG SER A 76 -3.218 20.048 0.926 1.00 10.00 O ATOM 0 H SER A 76 -3.460 17.736 -2.820 1.00 10.00 H new ATOM 0 HA SER A 76 -4.785 18.767 -0.552 1.00 10.00 H new ATOM 0 HB2 SER A 76 -2.410 18.232 0.384 1.00 10.00 H new ATOM 0 HB3 SER A 76 -1.875 19.600 -0.571 1.00 10.00 H new ATOM 0 HG SER A 76 -2.506 20.222 1.576 1.00 10.00 H new ATOM 1172 N ILE A 77 -5.203 20.137 -2.710 1.00 10.00 N ATOM 1173 CA ILE A 77 -5.615 21.254 -3.557 1.00 10.00 C ATOM 1174 C ILE A 77 -4.534 21.593 -4.596 1.00 10.00 C ATOM 1175 O ILE A 77 -4.084 22.729 -4.732 1.00 10.00 O ATOM 1176 CB ILE A 77 -6.099 22.455 -2.707 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -7.147 22.019 -1.659 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -6.767 23.530 -3.586 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -6.555 21.811 -0.261 1.00 10.00 C ATOM 0 H ILE A 77 -5.916 19.411 -2.637 1.00 10.00 H new ATOM 0 HA ILE A 77 -6.485 20.955 -4.142 1.00 10.00 H new ATOM 0 HB ILE A 77 -5.211 22.855 -2.217 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -7.932 22.773 -1.605 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -7.617 21.092 -1.989 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -7.096 24.359 -2.960 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -6.051 23.893 -4.323 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -7.627 23.099 -4.098 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -7.344 21.506 0.427 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -5.789 21.036 -0.302 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -6.110 22.743 0.088 1.00 10.00 H new ATOM 1191 N GLU A 78 -4.129 20.582 -5.356 1.00 10.00 N ATOM 1192 CA GLU A 78 -3.355 20.740 -6.570 1.00 10.00 C ATOM 1193 C GLU A 78 -4.234 21.293 -7.706 1.00 10.00 C ATOM 1194 O GLU A 78 -5.453 21.134 -7.705 1.00 10.00 O ATOM 1195 CB GLU A 78 -2.731 19.380 -6.936 1.00 10.00 C ATOM 1196 CG GLU A 78 -3.728 18.205 -6.884 1.00 10.00 C ATOM 1197 CD GLU A 78 -3.692 17.426 -5.569 1.00 10.00 C ATOM 1198 OE1 GLU A 78 -3.872 18.063 -4.504 1.00 10.00 O ATOM 1199 OE2 GLU A 78 -3.482 16.201 -5.645 1.00 10.00 O ATOM 0 H GLU A 78 -4.338 19.608 -5.135 1.00 10.00 H new ATOM 0 HA GLU A 78 -2.555 21.463 -6.413 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -2.309 19.442 -7.939 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -1.905 19.174 -6.255 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.736 18.588 -7.041 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.515 17.522 -7.706 1.00 10.00 H new ATOM 1206 N GLY A 79 -3.597 21.898 -8.715 1.00 10.00 N ATOM 1207 CA GLY A 79 -4.218 22.163 -10.008 1.00 10.00 C ATOM 1208 C GLY A 79 -5.185 23.350 -10.030 1.00 10.00 C ATOM 1209 O GLY A 79 -6.240 23.256 -10.655 1.00 10.00 O ATOM 0 H GLY A 79 -2.630 22.218 -8.652 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -3.432 22.340 -10.742 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -4.756 21.270 -10.326 1.00 10.00 H new ATOM 1213 N ARG A 80 -4.772 24.474 -9.434 1.00 10.00 N ATOM 1214 CA ARG A 80 -5.452 25.769 -9.370 1.00 10.00 C ATOM 1215 C ARG A 80 -6.182 25.883 -8.031 1.00 10.00 C ATOM 1216 O ARG A 80 -7.339 26.358 -8.030 1.00 10.00 O ATOM 1217 CB ARG A 80 -6.355 26.067 -10.584 1.00 10.00 C ATOM 1218 CG ARG A 80 -6.708 27.564 -10.670 1.00 10.00 C ATOM 1219 CD ARG A 80 -5.989 28.265 -11.830 1.00 10.00 C ATOM 1220 NE ARG A 80 -6.552 27.882 -13.137 1.00 10.00 N ATOM 1221 CZ ARG A 80 -7.674 28.389 -13.673 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -8.397 29.282 -12.985 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -8.070 28.008 -14.893 1.00 10.00 N ATOM 1224 OXT ARG A 80 -5.541 25.515 -7.025 1.00 10.00 O ATOM 0 H ARG A 80 -3.878 24.502 -8.943 1.00 10.00 H new ATOM 0 HA ARG A 80 -4.694 26.550 -9.426 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -5.850 25.758 -11.499 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -7.270 25.480 -10.511 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -7.785 27.675 -10.793 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -6.442 28.052 -9.732 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -6.065 29.345 -11.704 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.928 28.015 -11.804 1.00 10.00 H new ATOM 0 HE ARG A 80 -6.050 27.177 -13.677 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -8.095 29.576 -12.056 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -9.250 29.669 -13.390 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -7.519 27.330 -15.419 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -8.923 28.395 -15.297 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -7.619 -12.311 -1.773 1.00 10.00 CU