USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=16 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+ -179:sc= 1.22 (180deg=1.21) USER MOD Single : A 12 MET CE :methyl -153:sc= -2.19 (180deg=-4.28!) USER MOD Single : A 13 THR OG1 : rot -37:sc= 0.759 USER MOD Single : A 19 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00812) USER MOD Single : A 26 ASN : amide:sc= 1.13 K(o=1.1,f=-0.002) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.396 (180deg=-1.6) USER MOD Single : A 33 ASN : amide:sc= 0.849 K(o=0.85,f=-0.39) USER MOD Single : A 37 ASN : amide:sc= -0.641! C(o=-0.64!,f=-15!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 54:sc= 1.24 USER MOD Single : A 48 ASN : amide:sc= -0.224 K(o=-0.22,f=-4.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 7:sc= 0.571 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 1.21 (180deg=0.929) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 142:sc= 1.05 USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= 0.494 (180deg=-0.163) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 142:sc= 1.11 (180deg=0.769) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 76 SER OG : rot -48:sc= 0.644 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.663 17.429 8.507 1.00 10.00 N ATOM 2 CA MET A 1 4.391 16.418 9.295 1.00 10.00 C ATOM 3 C MET A 1 4.489 15.132 8.478 1.00 10.00 C ATOM 4 O MET A 1 5.537 14.847 7.913 1.00 10.00 O ATOM 5 CB MET A 1 3.739 16.163 10.664 1.00 10.00 C ATOM 6 CG MET A 1 4.041 17.255 11.697 1.00 10.00 C ATOM 7 SD MET A 1 3.450 16.851 13.361 1.00 10.00 S ATOM 8 CE MET A 1 4.085 18.264 14.292 1.00 10.00 C ATOM 0 H1 MET A 1 3.590 18.310 9.055 1.00 10.00 H new ATOM 0 H2 MET A 1 4.175 17.613 7.621 1.00 10.00 H new ATOM 0 H3 MET A 1 2.709 17.078 8.288 1.00 10.00 H new ATOM 0 HA MET A 1 5.392 16.796 9.505 1.00 10.00 H new ATOM 0 HB2 MET A 1 2.660 16.085 10.535 1.00 10.00 H new ATOM 0 HB3 MET A 1 4.084 15.204 11.049 1.00 10.00 H new ATOM 0 HG2 MET A 1 5.117 17.424 11.732 1.00 10.00 H new ATOM 0 HG3 MET A 1 3.582 18.189 11.373 1.00 10.00 H new ATOM 0 HE1 MET A 1 3.804 18.165 15.341 1.00 10.00 H new ATOM 0 HE2 MET A 1 5.171 18.296 14.209 1.00 10.00 H new ATOM 0 HE3 MET A 1 3.663 19.185 13.889 1.00 10.00 H new ATOM 20 N THR A 2 3.381 14.397 8.376 1.00 10.00 N ATOM 21 CA THR A 2 3.274 13.257 7.484 1.00 10.00 C ATOM 22 C THR A 2 3.228 13.762 6.032 1.00 10.00 C ATOM 23 O THR A 2 3.134 14.973 5.811 1.00 10.00 O ATOM 24 CB THR A 2 2.003 12.487 7.873 1.00 10.00 C ATOM 25 OG1 THR A 2 0.874 13.318 7.691 1.00 10.00 O ATOM 26 CG2 THR A 2 2.006 12.067 9.347 1.00 10.00 C ATOM 0 H THR A 2 2.534 14.581 8.914 1.00 10.00 H new ATOM 0 HA THR A 2 4.130 12.588 7.567 1.00 10.00 H new ATOM 0 HB THR A 2 1.970 11.599 7.242 1.00 10.00 H new ATOM 0 HG1 THR A 2 0.063 12.826 7.937 1.00 10.00 H new ATOM 0 HG21 THR A 2 1.087 11.526 9.573 1.00 10.00 H new ATOM 0 HG22 THR A 2 2.863 11.422 9.540 1.00 10.00 H new ATOM 0 HG23 THR A 2 2.070 12.954 9.978 1.00 10.00 H new ATOM 34 N GLU A 3 3.255 12.848 5.057 1.00 10.00 N ATOM 35 CA GLU A 3 3.011 13.119 3.656 1.00 10.00 C ATOM 36 C GLU A 3 1.826 12.262 3.214 1.00 10.00 C ATOM 37 O GLU A 3 1.247 11.514 4.004 1.00 10.00 O ATOM 38 CB GLU A 3 4.283 12.832 2.839 1.00 10.00 C ATOM 39 CG GLU A 3 4.608 11.334 2.695 1.00 10.00 C ATOM 40 CD GLU A 3 5.939 11.096 1.987 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.693 12.079 1.836 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.191 9.924 1.629 1.00 10.00 O ATOM 0 H GLU A 3 3.456 11.865 5.240 1.00 10.00 H new ATOM 0 HA GLU A 3 2.765 14.168 3.490 1.00 10.00 H new ATOM 0 HB2 GLU A 3 4.170 13.266 1.846 1.00 10.00 H new ATOM 0 HB3 GLU A 3 5.128 13.333 3.312 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.637 10.874 3.683 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.810 10.843 2.138 1.00 10.00 H new ATOM 49 N LYS A 4 1.501 12.393 1.935 1.00 10.00 N ATOM 50 CA LYS A 4 0.573 11.565 1.188 1.00 10.00 C ATOM 51 C LYS A 4 1.372 10.943 0.053 1.00 10.00 C ATOM 52 O LYS A 4 2.201 11.625 -0.546 1.00 10.00 O ATOM 53 CB LYS A 4 -0.540 12.436 0.598 1.00 10.00 C ATOM 54 CG LYS A 4 -1.438 13.031 1.685 1.00 10.00 C ATOM 55 CD LYS A 4 -1.695 14.521 1.431 1.00 10.00 C ATOM 56 CE LYS A 4 -2.627 15.109 2.498 1.00 10.00 C ATOM 57 NZ LYS A 4 -3.917 14.393 2.540 1.00 10.00 N ATOM 0 H LYS A 4 1.907 13.129 1.357 1.00 10.00 H new ATOM 0 HA LYS A 4 0.119 10.808 1.827 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.098 13.242 0.012 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.144 11.839 -0.085 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.386 12.494 1.712 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -0.970 12.900 2.660 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -0.749 15.062 1.432 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -2.137 14.654 0.444 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -2.146 15.053 3.474 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -2.802 16.164 2.289 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -4.531 14.825 3.260 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -4.378 14.454 1.610 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -3.752 13.395 2.780 1.00 10.00 H new ATOM 71 N ALA A 5 1.117 9.674 -0.245 1.00 10.00 N ATOM 72 CA ALA A 5 1.740 8.945 -1.332 1.00 10.00 C ATOM 73 C ALA A 5 0.658 8.074 -1.948 1.00 10.00 C ATOM 74 O ALA A 5 -0.258 7.659 -1.241 1.00 10.00 O ATOM 75 CB ALA A 5 2.886 8.116 -0.769 1.00 10.00 C ATOM 0 H ALA A 5 0.450 9.111 0.282 1.00 10.00 H new ATOM 0 HA ALA A 5 2.156 9.602 -2.096 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.365 7.561 -1.576 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.616 8.776 -0.299 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.499 7.417 -0.028 1.00 10.00 H new ATOM 81 N GLU A 6 0.706 7.829 -3.254 1.00 10.00 N ATOM 82 CA GLU A 6 -0.380 7.203 -3.965 1.00 10.00 C ATOM 83 C GLU A 6 0.296 6.229 -4.899 1.00 10.00 C ATOM 84 O GLU A 6 1.281 6.597 -5.544 1.00 10.00 O ATOM 85 CB GLU A 6 -1.149 8.289 -4.707 1.00 10.00 C ATOM 86 CG GLU A 6 -2.534 7.894 -5.209 1.00 10.00 C ATOM 87 CD GLU A 6 -3.093 9.054 -6.016 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.412 10.086 -5.384 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.111 8.917 -7.256 1.00 10.00 O ATOM 0 H GLU A 6 1.506 8.064 -3.842 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.100 6.684 -3.332 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.254 9.150 -4.047 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.552 8.613 -5.560 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.474 6.996 -5.824 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.191 7.662 -4.371 1.00 10.00 H new ATOM 96 N PHE A 7 -0.189 4.993 -4.902 1.00 10.00 N ATOM 97 CA PHE A 7 0.428 3.861 -5.549 1.00 10.00 C ATOM 98 C PHE A 7 -0.607 3.093 -6.348 1.00 10.00 C ATOM 99 O PHE A 7 -1.768 3.017 -5.954 1.00 10.00 O ATOM 100 CB PHE A 7 1.042 2.927 -4.511 1.00 10.00 C ATOM 101 CG PHE A 7 1.856 3.584 -3.416 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.806 4.561 -3.749 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.729 3.168 -2.081 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.554 5.197 -2.751 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.493 3.792 -1.081 1.00 10.00 C ATOM 106 CZ PHE A 7 3.395 4.816 -1.409 1.00 10.00 C ATOM 0 H PHE A 7 -1.061 4.751 -4.431 1.00 10.00 H new ATOM 0 HA PHE A 7 1.209 4.230 -6.214 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.238 2.358 -4.045 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.680 2.211 -5.029 1.00 10.00 H new ATOM 0 HD1 PHE A 7 2.962 4.825 -4.785 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.047 2.371 -1.824 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.252 5.979 -3.013 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.386 3.482 -0.052 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.963 5.308 -0.634 1.00 10.00 H new ATOM 116 N ASP A 8 -0.148 2.494 -7.439 1.00 10.00 N ATOM 117 CA ASP A 8 -0.912 1.668 -8.348 1.00 10.00 C ATOM 118 C ASP A 8 -0.665 0.251 -7.858 1.00 10.00 C ATOM 119 O ASP A 8 0.496 -0.050 -7.567 1.00 10.00 O ATOM 120 CB ASP A 8 -0.306 1.860 -9.740 1.00 10.00 C ATOM 121 CG ASP A 8 -1.195 1.324 -10.841 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.154 0.100 -11.057 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.846 2.173 -11.490 1.00 10.00 O ATOM 0 H ASP A 8 0.827 2.581 -7.725 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.976 1.899 -8.388 1.00 10.00 H new ATOM 0 HB2 ASP A 8 -0.124 2.921 -9.910 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.661 1.360 -9.783 1.00 10.00 H new ATOM 128 N ILE A 9 -1.700 -0.578 -7.698 1.00 10.00 N ATOM 129 CA ILE A 9 -1.501 -1.986 -7.370 1.00 10.00 C ATOM 130 C ILE A 9 -1.865 -2.808 -8.599 1.00 10.00 C ATOM 131 O ILE A 9 -2.806 -2.457 -9.299 1.00 10.00 O ATOM 132 CB ILE A 9 -2.303 -2.443 -6.142 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.298 -1.433 -4.991 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.683 -3.722 -5.579 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.564 -0.599 -5.060 1.00 10.00 C ATOM 0 H ILE A 9 -2.677 -0.298 -7.790 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.456 -2.135 -7.099 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.326 -2.575 -6.494 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.241 -1.953 -4.034 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.420 -0.791 -5.058 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.250 -4.048 -4.707 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.705 -4.503 -6.340 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.651 -3.528 -5.288 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -3.569 0.123 -4.244 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.600 -0.070 -6.013 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.434 -1.250 -4.973 1.00 10.00 H new ATOM 147 N GLU A 10 -1.138 -3.902 -8.838 1.00 10.00 N ATOM 148 CA GLU A 10 -1.390 -4.801 -9.947 1.00 10.00 C ATOM 149 C GLU A 10 -1.839 -6.160 -9.397 1.00 10.00 C ATOM 150 O GLU A 10 -1.025 -6.884 -8.813 1.00 10.00 O ATOM 151 CB GLU A 10 -0.123 -4.958 -10.801 1.00 10.00 C ATOM 152 CG GLU A 10 0.657 -3.645 -11.030 1.00 10.00 C ATOM 153 CD GLU A 10 1.926 -3.842 -11.858 1.00 10.00 C ATOM 154 OE1 GLU A 10 1.863 -4.619 -12.834 1.00 10.00 O ATOM 155 OE2 GLU A 10 2.955 -3.224 -11.496 1.00 10.00 O ATOM 0 H GLU A 10 -0.350 -4.184 -8.255 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.177 -4.390 -10.580 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.537 -5.680 -10.321 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.401 -5.375 -11.769 1.00 10.00 H new ATOM 0 HG2 GLU A 10 0.009 -2.927 -11.533 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.923 -3.213 -10.065 1.00 10.00 H new ATOM 162 N GLY A 11 -3.112 -6.508 -9.603 1.00 10.00 N ATOM 163 CA GLY A 11 -3.630 -7.868 -9.442 1.00 10.00 C ATOM 164 C GLY A 11 -5.034 -7.933 -8.831 1.00 10.00 C ATOM 165 O GLY A 11 -5.926 -8.556 -9.407 1.00 10.00 O ATOM 0 H GLY A 11 -3.825 -5.838 -9.892 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.646 -8.357 -10.416 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.944 -8.435 -8.812 1.00 10.00 H new ATOM 169 N MET A 12 -5.179 -7.361 -7.628 1.00 10.00 N ATOM 170 CA MET A 12 -6.389 -7.180 -6.823 1.00 10.00 C ATOM 171 C MET A 12 -7.539 -8.125 -7.152 1.00 10.00 C ATOM 172 O MET A 12 -8.649 -7.717 -7.485 1.00 10.00 O ATOM 173 CB MET A 12 -6.844 -5.730 -6.899 1.00 10.00 C ATOM 174 CG MET A 12 -5.667 -4.774 -6.715 1.00 10.00 C ATOM 175 SD MET A 12 -6.169 -3.259 -5.893 1.00 10.00 S ATOM 176 CE MET A 12 -6.167 -3.955 -4.232 1.00 10.00 C ATOM 0 H MET A 12 -4.366 -6.975 -7.148 1.00 10.00 H new ATOM 0 HA MET A 12 -6.105 -7.442 -5.804 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.320 -5.545 -7.862 1.00 10.00 H new ATOM 0 HB3 MET A 12 -7.594 -5.540 -6.131 1.00 10.00 H new ATOM 0 HG2 MET A 12 -4.887 -5.264 -6.132 1.00 10.00 H new ATOM 0 HG3 MET A 12 -5.236 -4.536 -7.687 1.00 10.00 H new ATOM 0 HE1 MET A 12 -6.872 -3.407 -3.607 1.00 10.00 H new ATOM 0 HE2 MET A 12 -6.461 -5.004 -4.277 1.00 10.00 H new ATOM 0 HE3 MET A 12 -5.167 -3.877 -3.806 1.00 10.00 H new ATOM 186 N THR A 13 -7.267 -9.413 -7.017 1.00 10.00 N ATOM 187 CA THR A 13 -8.123 -10.451 -7.545 1.00 10.00 C ATOM 188 C THR A 13 -9.243 -10.769 -6.554 1.00 10.00 C ATOM 189 O THR A 13 -10.175 -11.496 -6.894 1.00 10.00 O ATOM 190 CB THR A 13 -7.232 -11.645 -7.910 1.00 10.00 C ATOM 191 OG1 THR A 13 -5.955 -11.164 -8.300 1.00 10.00 O ATOM 192 CG2 THR A 13 -7.815 -12.431 -9.082 1.00 10.00 C ATOM 0 H THR A 13 -6.440 -9.765 -6.534 1.00 10.00 H new ATOM 0 HA THR A 13 -8.639 -10.137 -8.453 1.00 10.00 H new ATOM 0 HB THR A 13 -7.164 -12.297 -7.039 1.00 10.00 H new ATOM 0 HG1 THR A 13 -6.059 -10.327 -8.799 1.00 10.00 H new ATOM 0 HG21 THR A 13 -7.162 -13.271 -9.318 1.00 10.00 H new ATOM 0 HG22 THR A 13 -8.803 -12.804 -8.814 1.00 10.00 H new ATOM 0 HG23 THR A 13 -7.897 -11.780 -9.952 1.00 10.00 H new ATOM 200 N CYS A 14 -9.172 -10.199 -5.345 1.00 10.00 N ATOM 201 CA CYS A 14 -10.212 -10.282 -4.347 1.00 10.00 C ATOM 202 C CYS A 14 -10.227 -9.006 -3.498 1.00 10.00 C ATOM 203 O CYS A 14 -9.220 -8.314 -3.359 1.00 10.00 O ATOM 204 CB CYS A 14 -10.008 -11.557 -3.518 1.00 10.00 C ATOM 205 SG CYS A 14 -8.302 -11.863 -2.980 1.00 10.00 S ATOM 0 H CYS A 14 -8.364 -9.657 -5.039 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.194 -10.351 -4.816 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -10.646 -11.504 -2.636 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.346 -12.411 -4.105 1.00 10.00 H new ATOM 210 N ALA A 15 -11.376 -8.687 -2.901 1.00 10.00 N ATOM 211 CA ALA A 15 -11.468 -7.578 -1.956 1.00 10.00 C ATOM 212 C ALA A 15 -10.621 -7.871 -0.710 1.00 10.00 C ATOM 213 O ALA A 15 -10.082 -6.965 -0.069 1.00 10.00 O ATOM 214 CB ALA A 15 -12.936 -7.338 -1.598 1.00 10.00 C ATOM 0 H ALA A 15 -12.254 -9.182 -3.056 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.074 -6.670 -2.412 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -13.008 -6.510 -0.892 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.496 -7.094 -2.501 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.352 -8.238 -1.145 1.00 10.00 H new ATOM 220 N ALA A 16 -10.496 -9.156 -0.364 1.00 10.00 N ATOM 221 CA ALA A 16 -9.637 -9.618 0.713 1.00 10.00 C ATOM 222 C ALA A 16 -8.183 -9.216 0.458 1.00 10.00 C ATOM 223 O ALA A 16 -7.499 -8.782 1.384 1.00 10.00 O ATOM 224 CB ALA A 16 -9.763 -11.136 0.855 1.00 10.00 C ATOM 0 H ALA A 16 -10.998 -9.909 -0.835 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.953 -9.148 1.644 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.118 -11.481 1.663 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.797 -11.396 1.080 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.464 -11.615 -0.077 1.00 10.00 H new ATOM 230 N CYS A 17 -7.716 -9.378 -0.783 1.00 10.00 N ATOM 231 CA CYS A 17 -6.384 -8.999 -1.226 1.00 10.00 C ATOM 232 C CYS A 17 -6.172 -7.513 -0.996 1.00 10.00 C ATOM 233 O CYS A 17 -5.196 -7.128 -0.354 1.00 10.00 O ATOM 234 CB CYS A 17 -6.221 -9.389 -2.696 1.00 10.00 C ATOM 235 SG CYS A 17 -6.138 -11.189 -2.875 1.00 10.00 S ATOM 0 H CYS A 17 -8.278 -9.791 -1.527 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.622 -9.526 -0.652 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.058 -8.999 -3.276 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.315 -8.936 -3.099 1.00 10.00 H new ATOM 240 N ALA A 18 -7.102 -6.690 -1.485 1.00 10.00 N ATOM 241 CA ALA A 18 -7.091 -5.263 -1.202 1.00 10.00 C ATOM 242 C ALA A 18 -6.940 -4.999 0.301 1.00 10.00 C ATOM 243 O ALA A 18 -5.971 -4.380 0.728 1.00 10.00 O ATOM 244 CB ALA A 18 -8.342 -4.615 -1.796 1.00 10.00 C ATOM 0 H ALA A 18 -7.873 -6.994 -2.080 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.223 -4.804 -1.676 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.334 -3.546 -1.584 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.355 -4.771 -2.875 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.230 -5.066 -1.353 1.00 10.00 H new ATOM 250 N ASN A 19 -7.855 -5.512 1.128 1.00 10.00 N ATOM 251 CA ASN A 19 -7.788 -5.308 2.579 1.00 10.00 C ATOM 252 C ASN A 19 -6.447 -5.775 3.169 1.00 10.00 C ATOM 253 O ASN A 19 -5.936 -5.198 4.132 1.00 10.00 O ATOM 254 CB ASN A 19 -8.958 -6.014 3.277 1.00 10.00 C ATOM 255 CG ASN A 19 -10.258 -5.222 3.176 1.00 10.00 C ATOM 256 OD1 ASN A 19 -10.647 -4.546 4.121 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.958 -5.306 2.048 1.00 10.00 N ATOM 0 H ASN A 19 -8.650 -6.071 0.819 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.864 -4.235 2.758 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.101 -7.000 2.834 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.711 -6.169 4.327 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.839 -4.801 1.956 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -10.613 -5.875 1.275 1.00 10.00 H new ATOM 264 N ARG A 20 -5.861 -6.829 2.595 1.00 10.00 N ATOM 265 CA ARG A 20 -4.578 -7.365 3.025 1.00 10.00 C ATOM 266 C ARG A 20 -3.470 -6.314 2.881 1.00 10.00 C ATOM 267 O ARG A 20 -2.550 -6.281 3.702 1.00 10.00 O ATOM 268 CB ARG A 20 -4.261 -8.657 2.252 1.00 10.00 C ATOM 269 CG ARG A 20 -4.044 -9.889 3.144 1.00 10.00 C ATOM 270 CD ARG A 20 -4.634 -11.141 2.475 1.00 10.00 C ATOM 271 NE ARG A 20 -6.033 -11.342 2.897 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.405 -12.008 4.006 1.00 10.00 C ATOM 273 NH1 ARG A 20 -5.473 -12.514 4.823 1.00 10.00 N ATOM 274 NH2 ARG A 20 -7.700 -12.158 4.310 1.00 10.00 N ATOM 0 H ARG A 20 -6.273 -7.336 1.811 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.634 -7.619 4.084 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.078 -8.863 1.560 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.367 -8.496 1.650 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -2.979 -10.033 3.325 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -4.514 -9.731 4.115 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -4.586 -11.038 1.391 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -4.039 -12.016 2.738 1.00 10.00 H new ATOM 0 HE ARG A 20 -6.768 -10.950 2.309 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -4.484 -12.394 4.604 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -5.752 -13.019 5.664 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -8.416 -11.766 3.699 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -7.971 -12.665 5.153 1.00 10.00 H new ATOM 288 N ILE A 21 -3.581 -5.433 1.877 1.00 10.00 N ATOM 289 CA ILE A 21 -2.664 -4.304 1.733 1.00 10.00 C ATOM 290 C ILE A 21 -2.695 -3.507 3.033 1.00 10.00 C ATOM 291 O ILE A 21 -1.658 -3.320 3.663 1.00 10.00 O ATOM 292 CB ILE A 21 -3.042 -3.379 0.558 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.159 -4.088 -0.796 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.098 -2.176 0.451 1.00 10.00 C ATOM 295 CD1 ILE A 21 -1.823 -4.277 -1.513 1.00 10.00 C ATOM 0 H ILE A 21 -4.299 -5.484 1.154 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.668 -4.694 1.522 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.044 -3.025 0.802 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.621 -5.064 -0.645 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.827 -3.515 -1.439 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.400 -1.550 -0.389 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.144 -1.594 1.372 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.078 -2.527 0.294 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -1.989 -4.786 -2.463 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.368 -3.304 -1.697 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.158 -4.877 -0.891 1.00 10.00 H new ATOM 307 N GLU A 22 -3.884 -3.053 3.444 1.00 10.00 N ATOM 308 CA GLU A 22 -4.033 -2.197 4.611 1.00 10.00 C ATOM 309 C GLU A 22 -3.475 -2.884 5.837 1.00 10.00 C ATOM 310 O GLU A 22 -2.767 -2.258 6.618 1.00 10.00 O ATOM 311 CB GLU A 22 -5.492 -1.806 4.858 1.00 10.00 C ATOM 312 CG GLU A 22 -6.073 -1.220 3.576 1.00 10.00 C ATOM 313 CD GLU A 22 -7.244 -0.259 3.777 1.00 10.00 C ATOM 314 OE1 GLU A 22 -7.378 0.268 4.903 1.00 10.00 O ATOM 315 OE2 GLU A 22 -7.970 -0.040 2.780 1.00 10.00 O ATOM 0 H GLU A 22 -4.763 -3.271 2.975 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.473 -1.283 4.413 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.068 -2.678 5.168 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.555 -1.078 5.667 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.280 -0.696 3.042 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.401 -2.039 2.936 1.00 10.00 H new ATOM 322 N LYS A 23 -3.782 -4.170 6.003 1.00 10.00 N ATOM 323 CA LYS A 23 -3.238 -4.955 7.087 1.00 10.00 C ATOM 324 C LYS A 23 -1.710 -4.859 7.095 1.00 10.00 C ATOM 325 O LYS A 23 -1.122 -4.530 8.125 1.00 10.00 O ATOM 326 CB LYS A 23 -3.710 -6.403 6.937 1.00 10.00 C ATOM 327 CG LYS A 23 -4.937 -6.724 7.804 1.00 10.00 C ATOM 328 CD LYS A 23 -5.107 -8.242 7.982 1.00 10.00 C ATOM 329 CE LYS A 23 -4.165 -8.849 9.040 1.00 10.00 C ATOM 330 NZ LYS A 23 -4.541 -8.477 10.422 1.00 10.00 N ATOM 0 H LYS A 23 -4.412 -4.686 5.389 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.593 -4.569 8.043 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.950 -6.595 5.891 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.895 -7.075 7.206 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.831 -6.250 8.780 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.832 -6.306 7.342 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -6.139 -8.453 8.263 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.930 -8.734 7.025 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.172 -9.935 8.946 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.145 -8.519 8.844 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.906 -8.953 11.094 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.460 -7.447 10.538 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.522 -8.770 10.606 1.00 10.00 H new ATOM 344 N ARG A 24 -1.058 -5.157 5.966 1.00 10.00 N ATOM 345 CA ARG A 24 0.394 -5.072 5.919 1.00 10.00 C ATOM 346 C ARG A 24 0.873 -3.655 6.216 1.00 10.00 C ATOM 347 O ARG A 24 1.740 -3.481 7.068 1.00 10.00 O ATOM 348 CB ARG A 24 0.974 -5.597 4.595 1.00 10.00 C ATOM 349 CG ARG A 24 1.714 -6.925 4.812 1.00 10.00 C ATOM 350 CD ARG A 24 3.009 -6.727 5.619 1.00 10.00 C ATOM 351 NE ARG A 24 3.610 -8.005 6.031 1.00 10.00 N ATOM 352 CZ ARG A 24 3.207 -8.739 7.080 1.00 10.00 C ATOM 353 NH1 ARG A 24 2.132 -8.363 7.781 1.00 10.00 N ATOM 354 NH2 ARG A 24 3.878 -9.844 7.426 1.00 10.00 N ATOM 0 H ARG A 24 -1.504 -5.451 5.097 1.00 10.00 H new ATOM 0 HA ARG A 24 0.773 -5.727 6.703 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.171 -5.737 3.871 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.657 -4.859 4.174 1.00 10.00 H new ATOM 0 HG2 ARG A 24 1.062 -7.624 5.335 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.951 -7.372 3.847 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.726 -6.167 5.019 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.795 -6.126 6.503 1.00 10.00 H new ATOM 0 HE ARG A 24 4.391 -8.360 5.479 1.00 10.00 H new ATOM 0 HH11 ARG A 24 1.621 -7.520 7.518 1.00 10.00 H new ATOM 0 HH12 ARG A 24 1.823 -8.919 8.579 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.698 -10.131 6.892 1.00 10.00 H new ATOM 0 HH22 ARG A 24 3.569 -10.399 8.224 1.00 10.00 H new ATOM 368 N LEU A 25 0.316 -2.654 5.531 1.00 10.00 N ATOM 369 CA LEU A 25 0.747 -1.271 5.705 1.00 10.00 C ATOM 370 C LEU A 25 0.611 -0.826 7.163 1.00 10.00 C ATOM 371 O LEU A 25 1.552 -0.281 7.728 1.00 10.00 O ATOM 372 CB LEU A 25 -0.020 -0.341 4.762 1.00 10.00 C ATOM 373 CG LEU A 25 0.289 -0.601 3.278 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.578 0.338 2.443 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.758 -0.348 2.926 1.00 10.00 C ATOM 0 H LEU A 25 -0.434 -2.778 4.851 1.00 10.00 H new ATOM 0 HA LEU A 25 1.804 -1.212 5.446 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.090 -0.463 4.931 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.225 0.694 5.002 1.00 10.00 H new ATOM 0 HG LEU A 25 0.079 -1.650 3.070 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.377 0.173 1.384 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.630 0.140 2.648 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.346 1.372 2.700 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.918 -0.547 1.866 1.00 10.00 H new ATOM 0 HD22 LEU A 25 2.010 0.690 3.142 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.393 -1.007 3.519 1.00 10.00 H new ATOM 387 N ASN A 26 -0.532 -1.104 7.791 1.00 10.00 N ATOM 388 CA ASN A 26 -0.764 -0.834 9.206 1.00 10.00 C ATOM 389 C ASN A 26 0.296 -1.504 10.075 1.00 10.00 C ATOM 390 O ASN A 26 0.688 -0.967 11.105 1.00 10.00 O ATOM 391 CB ASN A 26 -2.145 -1.348 9.629 1.00 10.00 C ATOM 392 CG ASN A 26 -3.242 -0.308 9.420 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.641 0.376 10.355 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.751 -0.188 8.198 1.00 10.00 N ATOM 0 H ASN A 26 -1.332 -1.529 7.323 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.711 0.246 9.346 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.386 -2.246 9.059 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.116 -1.636 10.680 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.494 0.487 8.019 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.398 -0.771 7.439 1.00 10.00 H new ATOM 401 N LYS A 27 0.743 -2.699 9.682 1.00 10.00 N ATOM 402 CA LYS A 27 1.803 -3.388 10.399 1.00 10.00 C ATOM 403 C LYS A 27 3.115 -2.600 10.335 1.00 10.00 C ATOM 404 O LYS A 27 3.964 -2.798 11.197 1.00 10.00 O ATOM 405 CB LYS A 27 1.968 -4.828 9.881 1.00 10.00 C ATOM 406 CG LYS A 27 2.169 -5.861 11.006 1.00 10.00 C ATOM 407 CD LYS A 27 3.575 -5.881 11.646 1.00 10.00 C ATOM 408 CE LYS A 27 3.629 -5.490 13.145 1.00 10.00 C ATOM 409 NZ LYS A 27 4.140 -4.120 13.384 1.00 10.00 N ATOM 0 H LYS A 27 0.384 -3.204 8.872 1.00 10.00 H new ATOM 0 HA LYS A 27 1.520 -3.452 11.450 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.087 -5.101 9.300 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.821 -4.868 9.204 1.00 10.00 H new ATOM 0 HG2 LYS A 27 1.435 -5.668 11.789 1.00 10.00 H new ATOM 0 HG3 LYS A 27 1.956 -6.853 10.607 1.00 10.00 H new ATOM 0 HD2 LYS A 27 3.992 -6.882 11.534 1.00 10.00 H new ATOM 0 HD3 LYS A 27 4.220 -5.202 11.088 1.00 10.00 H new ATOM 0 HE2 LYS A 27 2.629 -5.575 13.570 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.262 -6.202 13.675 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 3.858 -3.805 14.334 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 5.178 -4.119 13.313 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 3.744 -3.473 12.673 1.00 10.00 H new ATOM 423 N ILE A 28 3.326 -1.737 9.340 1.00 10.00 N ATOM 424 CA ILE A 28 4.523 -0.913 9.298 1.00 10.00 C ATOM 425 C ILE A 28 4.336 0.280 10.234 1.00 10.00 C ATOM 426 O ILE A 28 3.303 0.948 10.233 1.00 10.00 O ATOM 427 CB ILE A 28 4.844 -0.460 7.870 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.716 -1.550 6.809 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.191 0.270 7.801 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.655 -2.696 7.111 1.00 10.00 C ATOM 0 H ILE A 28 2.685 -1.595 8.560 1.00 10.00 H new ATOM 0 HA ILE A 28 5.375 -1.503 9.634 1.00 10.00 H new ATOM 0 HB ILE A 28 4.061 0.254 7.613 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.689 -1.913 6.774 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.941 -1.137 5.826 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.386 0.577 6.774 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.161 1.150 8.443 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.984 -0.398 8.137 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.550 -3.464 6.344 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.682 -2.332 7.122 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.410 -3.120 8.085 1.00 10.00 H new ATOM 442 N GLU A 29 5.366 0.543 11.029 1.00 10.00 N ATOM 443 CA GLU A 29 5.382 1.607 12.011 1.00 10.00 C ATOM 444 C GLU A 29 5.613 2.939 11.280 1.00 10.00 C ATOM 445 O GLU A 29 6.403 2.996 10.338 1.00 10.00 O ATOM 446 CB GLU A 29 6.475 1.303 13.050 1.00 10.00 C ATOM 447 CG GLU A 29 6.491 -0.158 13.563 1.00 10.00 C ATOM 448 CD GLU A 29 5.211 -0.617 14.260 1.00 10.00 C ATOM 449 OE1 GLU A 29 4.542 0.246 14.863 1.00 10.00 O ATOM 450 OE2 GLU A 29 4.937 -1.843 14.204 1.00 10.00 O ATOM 0 H GLU A 29 6.233 0.006 11.004 1.00 10.00 H new ATOM 0 HA GLU A 29 4.434 1.680 12.545 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.447 1.531 12.612 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.344 1.971 13.901 1.00 10.00 H new ATOM 0 HG2 GLU A 29 6.684 -0.820 12.719 1.00 10.00 H new ATOM 0 HG3 GLU A 29 7.324 -0.274 14.256 1.00 10.00 H new ATOM 457 N GLY A 30 4.910 4.003 11.676 1.00 10.00 N ATOM 458 CA GLY A 30 5.053 5.330 11.082 1.00 10.00 C ATOM 459 C GLY A 30 4.111 5.560 9.893 1.00 10.00 C ATOM 460 O GLY A 30 4.249 6.555 9.174 1.00 10.00 O ATOM 0 H GLY A 30 4.219 3.965 12.426 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.859 6.085 11.843 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.083 5.466 10.753 1.00 10.00 H new ATOM 464 N VAL A 31 3.128 4.669 9.710 1.00 10.00 N ATOM 465 CA VAL A 31 2.037 4.839 8.762 1.00 10.00 C ATOM 466 C VAL A 31 0.854 5.475 9.490 1.00 10.00 C ATOM 467 O VAL A 31 0.559 5.103 10.624 1.00 10.00 O ATOM 468 CB VAL A 31 1.685 3.488 8.114 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.510 3.620 7.134 1.00 10.00 C ATOM 470 CG2 VAL A 31 2.901 2.941 7.353 1.00 10.00 C ATOM 0 H VAL A 31 3.075 3.794 10.231 1.00 10.00 H new ATOM 0 HA VAL A 31 2.328 5.504 7.949 1.00 10.00 H new ATOM 0 HB VAL A 31 1.398 2.806 8.914 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.290 2.646 6.696 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.368 3.985 7.666 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.773 4.322 6.343 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.645 1.985 6.897 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.192 3.648 6.576 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.731 2.802 8.046 1.00 10.00 H new ATOM 480 N ALA A 32 0.192 6.446 8.851 1.00 10.00 N ATOM 481 CA ALA A 32 -0.995 7.092 9.391 1.00 10.00 C ATOM 482 C ALA A 32 -2.232 6.325 8.931 1.00 10.00 C ATOM 483 O ALA A 32 -3.054 5.928 9.753 1.00 10.00 O ATOM 484 CB ALA A 32 -1.052 8.561 8.955 1.00 10.00 C ATOM 0 H ALA A 32 0.472 6.804 7.938 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.959 7.079 10.480 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.946 9.029 9.368 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -0.168 9.083 9.320 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -1.083 8.617 7.867 1.00 10.00 H new ATOM 490 N ASN A 33 -2.362 6.103 7.618 1.00 10.00 N ATOM 491 CA ASN A 33 -3.507 5.413 7.036 1.00 10.00 C ATOM 492 C ASN A 33 -3.193 5.067 5.586 1.00 10.00 C ATOM 493 O ASN A 33 -2.154 5.455 5.063 1.00 10.00 O ATOM 494 CB ASN A 33 -4.800 6.238 7.176 1.00 10.00 C ATOM 495 CG ASN A 33 -4.643 7.672 6.683 1.00 10.00 C ATOM 496 OD1 ASN A 33 -4.179 8.529 7.430 1.00 10.00 O ATOM 497 ND2 ASN A 33 -5.025 7.948 5.442 1.00 10.00 N ATOM 0 H ASN A 33 -1.670 6.400 6.930 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.687 4.487 7.583 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.598 5.751 6.616 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.106 6.250 8.222 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.937 8.898 5.081 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -5.406 7.210 4.850 1.00 10.00 H new ATOM 504 N ALA A 34 -4.069 4.287 4.952 1.00 10.00 N ATOM 505 CA ALA A 34 -3.842 3.677 3.651 1.00 10.00 C ATOM 506 C ALA A 34 -5.107 3.051 3.050 1.00 10.00 C ATOM 507 O ALA A 34 -5.075 1.876 2.696 1.00 10.00 O ATOM 508 CB ALA A 34 -2.741 2.620 3.776 1.00 10.00 C ATOM 0 H ALA A 34 -4.982 4.058 5.345 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.536 4.470 2.969 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.567 2.159 2.804 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.822 3.091 4.124 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -3.050 1.856 4.489 1.00 10.00 H new ATOM 514 N PRO A 35 -6.210 3.802 2.903 1.00 10.00 N ATOM 515 CA PRO A 35 -7.426 3.279 2.299 1.00 10.00 C ATOM 516 C PRO A 35 -7.152 2.807 0.867 1.00 10.00 C ATOM 517 O PRO A 35 -6.700 3.593 0.029 1.00 10.00 O ATOM 518 CB PRO A 35 -8.435 4.434 2.341 1.00 10.00 C ATOM 519 CG PRO A 35 -7.551 5.681 2.383 1.00 10.00 C ATOM 520 CD PRO A 35 -6.358 5.213 3.213 1.00 10.00 C ATOM 0 HA PRO A 35 -7.812 2.409 2.831 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.084 4.432 1.465 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.081 4.371 3.217 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.251 5.999 1.385 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.062 6.525 2.847 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.457 5.769 2.956 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.534 5.366 4.278 1.00 10.00 H new ATOM 528 N VAL A 36 -7.420 1.529 0.578 1.00 10.00 N ATOM 529 CA VAL A 36 -7.301 1.008 -0.778 1.00 10.00 C ATOM 530 C VAL A 36 -8.560 1.338 -1.571 1.00 10.00 C ATOM 531 O VAL A 36 -9.667 1.344 -1.036 1.00 10.00 O ATOM 532 CB VAL A 36 -7.036 -0.504 -0.794 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.625 -0.979 -2.191 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.897 -0.879 0.142 1.00 10.00 C ATOM 0 H VAL A 36 -7.720 0.841 1.268 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.441 1.489 -1.245 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.966 -0.976 -0.479 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.444 -2.054 -2.171 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.423 -0.758 -2.900 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -5.715 -0.463 -2.498 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.736 -1.956 0.106 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.987 -0.366 -0.169 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -6.151 -0.584 1.160 1.00 10.00 H new ATOM 544 N ASN A 37 -8.388 1.576 -2.870 1.00 10.00 N ATOM 545 CA ASN A 37 -9.470 1.692 -3.825 1.00 10.00 C ATOM 546 C ASN A 37 -9.577 0.379 -4.608 1.00 10.00 C ATOM 547 O ASN A 37 -8.563 -0.202 -4.983 1.00 10.00 O ATOM 548 CB ASN A 37 -9.180 2.872 -4.757 1.00 10.00 C ATOM 549 CG ASN A 37 -9.866 2.647 -6.088 1.00 10.00 C ATOM 550 OD1 ASN A 37 -9.304 2.029 -6.988 1.00 10.00 O ATOM 551 ND2 ASN A 37 -11.115 3.076 -6.206 1.00 10.00 N ATOM 0 H ASN A 37 -7.466 1.695 -3.290 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.419 1.874 -3.321 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.533 3.800 -4.307 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.105 2.977 -4.903 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -11.637 2.895 -7.063 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -11.553 3.587 -5.440 1.00 10.00 H new ATOM 558 N PHE A 38 -10.810 -0.050 -4.903 1.00 10.00 N ATOM 559 CA PHE A 38 -11.093 -1.236 -5.705 1.00 10.00 C ATOM 560 C PHE A 38 -11.898 -0.836 -6.947 1.00 10.00 C ATOM 561 O PHE A 38 -13.011 -1.310 -7.157 1.00 10.00 O ATOM 562 CB PHE A 38 -11.826 -2.261 -4.829 1.00 10.00 C ATOM 563 CG PHE A 38 -11.725 -3.696 -5.309 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.585 -4.456 -4.989 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.757 -4.276 -6.073 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.492 -5.798 -5.396 1.00 10.00 C ATOM 567 CE2 PHE A 38 -12.643 -5.606 -6.514 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.514 -6.370 -6.170 1.00 10.00 C ATOM 0 H PHE A 38 -11.651 0.430 -4.583 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.171 -1.698 -6.059 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.428 -2.203 -3.816 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.879 -1.984 -4.774 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.779 -4.007 -4.429 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.636 -3.699 -6.320 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.634 -6.390 -5.113 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -13.425 -6.042 -7.119 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.433 -7.395 -6.501 1.00 10.00 H new ATOM 578 N ALA A 39 -11.346 0.072 -7.760 1.00 10.00 N ATOM 579 CA ALA A 39 -11.929 0.446 -9.048 1.00 10.00 C ATOM 580 C ALA A 39 -10.864 0.967 -10.019 1.00 10.00 C ATOM 581 O ALA A 39 -10.794 0.525 -11.161 1.00 10.00 O ATOM 582 CB ALA A 39 -13.049 1.476 -8.859 1.00 10.00 C ATOM 0 H ALA A 39 -10.482 0.567 -7.541 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.361 -0.453 -9.488 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.468 1.740 -9.830 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.831 1.052 -8.229 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.645 2.370 -8.383 1.00 10.00 H new ATOM 588 N LEU A 40 -10.040 1.912 -9.561 1.00 10.00 N ATOM 589 CA LEU A 40 -8.929 2.483 -10.310 1.00 10.00 C ATOM 590 C LEU A 40 -7.711 1.559 -10.188 1.00 10.00 C ATOM 591 O LEU A 40 -6.853 1.555 -11.064 1.00 10.00 O ATOM 592 CB LEU A 40 -8.582 3.880 -9.762 1.00 10.00 C ATOM 593 CG LEU A 40 -9.750 4.849 -9.629 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.726 5.600 -8.295 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.814 5.858 -10.779 1.00 10.00 C ATOM 0 H LEU A 40 -10.135 2.311 -8.627 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.212 2.580 -11.358 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.120 3.761 -8.782 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.834 4.330 -10.414 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.645 4.228 -9.669 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.577 6.279 -8.245 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.783 4.885 -7.474 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.801 6.171 -8.215 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.665 6.523 -10.633 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.895 6.444 -10.801 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -9.927 5.326 -11.724 1.00 10.00 H new ATOM 607 N GLU A 41 -7.666 0.797 -9.088 1.00 10.00 N ATOM 608 CA GLU A 41 -6.628 -0.160 -8.720 1.00 10.00 C ATOM 609 C GLU A 41 -5.452 0.599 -8.081 1.00 10.00 C ATOM 610 O GLU A 41 -4.287 0.427 -8.433 1.00 10.00 O ATOM 611 CB GLU A 41 -6.271 -1.100 -9.894 1.00 10.00 C ATOM 612 CG GLU A 41 -6.022 -2.534 -9.396 1.00 10.00 C ATOM 613 CD GLU A 41 -5.563 -3.508 -10.490 1.00 10.00 C ATOM 614 OE1 GLU A 41 -5.921 -3.254 -11.661 1.00 10.00 O ATOM 615 OE2 GLU A 41 -4.915 -4.527 -10.141 1.00 10.00 O ATOM 0 H GLU A 41 -8.406 0.840 -8.388 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.990 -0.851 -7.959 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -7.081 -1.100 -10.624 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.382 -0.729 -10.404 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.269 -2.508 -8.609 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.939 -2.915 -8.947 1.00 10.00 H new ATOM 622 N THR A 42 -5.800 1.449 -7.108 1.00 10.00 N ATOM 623 CA THR A 42 -4.908 2.391 -6.438 1.00 10.00 C ATOM 624 C THR A 42 -5.010 2.231 -4.914 1.00 10.00 C ATOM 625 O THR A 42 -6.058 1.844 -4.402 1.00 10.00 O ATOM 626 CB THR A 42 -5.288 3.819 -6.875 1.00 10.00 C ATOM 627 OG1 THR A 42 -5.075 3.956 -8.266 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.511 4.923 -6.148 1.00 10.00 C ATOM 0 H THR A 42 -6.755 1.498 -6.753 1.00 10.00 H new ATOM 0 HA THR A 42 -3.873 2.192 -6.718 1.00 10.00 H new ATOM 0 HB THR A 42 -6.338 3.947 -6.612 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.318 4.863 -8.546 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.837 5.897 -6.512 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.699 4.855 -5.076 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.444 4.803 -6.338 1.00 10.00 H new ATOM 636 N VAL A 43 -3.940 2.550 -4.179 1.00 10.00 N ATOM 637 CA VAL A 43 -3.973 2.784 -2.737 1.00 10.00 C ATOM 638 C VAL A 43 -3.340 4.147 -2.471 1.00 10.00 C ATOM 639 O VAL A 43 -2.337 4.483 -3.102 1.00 10.00 O ATOM 640 CB VAL A 43 -3.281 1.646 -1.956 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.825 1.423 -2.384 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.323 1.894 -0.443 1.00 10.00 C ATOM 0 H VAL A 43 -3.008 2.654 -4.581 1.00 10.00 H new ATOM 0 HA VAL A 43 -5.003 2.789 -2.380 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.847 0.746 -2.197 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.394 0.611 -1.799 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.792 1.165 -3.442 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.252 2.335 -2.215 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.827 1.073 0.074 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.812 2.829 -0.213 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.360 1.957 -0.113 1.00 10.00 H new ATOM 652 N THR A 44 -3.933 4.926 -1.558 1.00 10.00 N ATOM 653 CA THR A 44 -3.418 6.231 -1.158 1.00 10.00 C ATOM 654 C THR A 44 -2.909 6.106 0.275 1.00 10.00 C ATOM 655 O THR A 44 -3.712 6.044 1.201 1.00 10.00 O ATOM 656 CB THR A 44 -4.508 7.304 -1.297 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.214 7.124 -2.509 1.00 10.00 O ATOM 658 CG2 THR A 44 -3.896 8.709 -1.295 1.00 10.00 C ATOM 0 H THR A 44 -4.791 4.661 -1.075 1.00 10.00 H new ATOM 0 HA THR A 44 -2.598 6.544 -1.804 1.00 10.00 H new ATOM 0 HB THR A 44 -5.184 7.203 -0.448 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.908 7.811 -2.588 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.688 9.451 -1.395 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.362 8.872 -0.359 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.202 8.805 -2.130 1.00 10.00 H new ATOM 666 N VAL A 45 -1.591 6.013 0.455 1.00 10.00 N ATOM 667 CA VAL A 45 -0.956 5.816 1.746 1.00 10.00 C ATOM 668 C VAL A 45 -0.558 7.170 2.314 1.00 10.00 C ATOM 669 O VAL A 45 0.211 7.905 1.697 1.00 10.00 O ATOM 670 CB VAL A 45 0.255 4.885 1.608 1.00 10.00 C ATOM 671 CG1 VAL A 45 0.865 4.545 2.975 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.175 3.585 0.923 1.00 10.00 C ATOM 0 H VAL A 45 -0.925 6.075 -0.315 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.654 5.340 2.435 1.00 10.00 H new ATOM 0 HB VAL A 45 1.007 5.403 1.012 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.720 3.884 2.837 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.190 5.462 3.466 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.118 4.048 3.593 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.686 2.923 0.825 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.943 3.095 1.522 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.574 3.810 -0.066 1.00 10.00 H new ATOM 682 N GLU A 46 -1.052 7.474 3.512 1.00 10.00 N ATOM 683 CA GLU A 46 -0.572 8.585 4.308 1.00 10.00 C ATOM 684 C GLU A 46 0.358 8.021 5.382 1.00 10.00 C ATOM 685 O GLU A 46 -0.042 7.162 6.170 1.00 10.00 O ATOM 686 CB GLU A 46 -1.770 9.351 4.871 1.00 10.00 C ATOM 687 CG GLU A 46 -2.410 10.176 3.741 1.00 10.00 C ATOM 688 CD GLU A 46 -3.563 11.056 4.199 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.563 10.479 4.674 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.447 12.291 4.028 1.00 10.00 O ATOM 0 H GLU A 46 -1.804 6.947 3.956 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.000 9.302 3.719 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.498 8.657 5.290 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.451 10.006 5.682 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -1.645 10.804 3.285 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -2.769 9.497 2.967 1.00 10.00 H new ATOM 697 N TYR A 47 1.614 8.474 5.391 1.00 10.00 N ATOM 698 CA TYR A 47 2.645 8.002 6.302 1.00 10.00 C ATOM 699 C TYR A 47 3.680 9.101 6.500 1.00 10.00 C ATOM 700 O TYR A 47 3.552 10.183 5.926 1.00 10.00 O ATOM 701 CB TYR A 47 3.283 6.700 5.785 1.00 10.00 C ATOM 702 CG TYR A 47 4.254 6.835 4.629 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.790 6.968 3.307 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.640 6.777 4.876 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.709 7.068 2.251 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.553 6.936 3.824 1.00 10.00 C ATOM 707 CZ TYR A 47 6.087 7.111 2.514 1.00 10.00 C ATOM 708 OH TYR A 47 6.958 7.453 1.529 1.00 10.00 O ATOM 0 H TYR A 47 1.944 9.195 4.749 1.00 10.00 H new ATOM 0 HA TYR A 47 2.197 7.769 7.268 1.00 10.00 H new ATOM 0 HB2 TYR A 47 3.805 6.223 6.615 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.483 6.025 5.481 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.729 6.993 3.106 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.001 6.609 5.880 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.354 7.112 1.232 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.614 6.924 4.023 1.00 10.00 H new ATOM 0 HH TYR A 47 6.694 8.314 1.143 1.00 10.00 H new ATOM 718 N ASN A 48 4.693 8.829 7.321 1.00 10.00 N ATOM 719 CA ASN A 48 5.792 9.750 7.585 1.00 10.00 C ATOM 720 C ASN A 48 7.109 9.125 7.108 1.00 10.00 C ATOM 721 O ASN A 48 7.490 8.085 7.646 1.00 10.00 O ATOM 722 CB ASN A 48 5.828 10.018 9.089 1.00 10.00 C ATOM 723 CG ASN A 48 7.008 10.878 9.516 1.00 10.00 C ATOM 724 OD1 ASN A 48 7.706 11.472 8.701 1.00 10.00 O ATOM 725 ND2 ASN A 48 7.231 10.953 10.821 1.00 10.00 N ATOM 0 H ASN A 48 4.772 7.948 7.829 1.00 10.00 H new ATOM 0 HA ASN A 48 5.652 10.689 7.050 1.00 10.00 H new ATOM 0 HB2 ASN A 48 4.902 10.510 9.386 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.869 9.067 9.620 1.00 10.00 H new ATOM 0 HD21 ASN A 48 8.003 11.518 11.175 1.00 10.00 H new ATOM 0 HD22 ASN A 48 6.630 10.446 11.471 1.00 10.00 H new ATOM 732 N PRO A 49 7.821 9.722 6.133 1.00 10.00 N ATOM 733 CA PRO A 49 9.079 9.191 5.629 1.00 10.00 C ATOM 734 C PRO A 49 10.197 9.441 6.645 1.00 10.00 C ATOM 735 O PRO A 49 11.086 10.265 6.431 1.00 10.00 O ATOM 736 CB PRO A 49 9.307 9.900 4.292 1.00 10.00 C ATOM 737 CG PRO A 49 8.692 11.274 4.547 1.00 10.00 C ATOM 738 CD PRO A 49 7.476 10.941 5.413 1.00 10.00 C ATOM 0 HA PRO A 49 9.063 8.111 5.481 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.366 9.968 4.042 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.818 9.382 3.467 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.386 11.939 5.061 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.405 11.768 3.619 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.255 11.754 6.105 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.588 10.794 4.799 1.00 10.00 H new ATOM 746 N LYS A 50 10.141 8.725 7.768 1.00 10.00 N ATOM 747 CA LYS A 50 11.116 8.809 8.842 1.00 10.00 C ATOM 748 C LYS A 50 11.476 7.401 9.312 1.00 10.00 C ATOM 749 O LYS A 50 12.653 7.045 9.332 1.00 10.00 O ATOM 750 CB LYS A 50 10.557 9.676 9.982 1.00 10.00 C ATOM 751 CG LYS A 50 11.680 10.226 10.870 1.00 10.00 C ATOM 752 CD LYS A 50 12.228 11.528 10.263 1.00 10.00 C ATOM 753 CE LYS A 50 13.523 11.989 10.945 1.00 10.00 C ATOM 754 NZ LYS A 50 14.686 11.176 10.529 1.00 10.00 N ATOM 0 H LYS A 50 9.395 8.055 7.955 1.00 10.00 H new ATOM 0 HA LYS A 50 12.030 9.285 8.487 1.00 10.00 H new ATOM 0 HB2 LYS A 50 9.983 10.503 9.564 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.869 9.085 10.587 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.304 10.412 11.876 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.479 9.490 10.960 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.413 11.380 9.199 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.475 12.312 10.350 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.707 13.036 10.704 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.405 11.927 12.027 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 15.540 11.520 11.012 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 14.522 10.181 10.782 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 14.815 11.255 9.500 1.00 10.00 H new ATOM 768 N GLU A 51 10.461 6.625 9.701 1.00 10.00 N ATOM 769 CA GLU A 51 10.607 5.272 10.222 1.00 10.00 C ATOM 770 C GLU A 51 10.277 4.212 9.162 1.00 10.00 C ATOM 771 O GLU A 51 10.638 3.049 9.323 1.00 10.00 O ATOM 772 CB GLU A 51 9.709 5.124 11.455 1.00 10.00 C ATOM 773 CG GLU A 51 10.078 6.153 12.535 1.00 10.00 C ATOM 774 CD GLU A 51 9.308 5.907 13.824 1.00 10.00 C ATOM 775 OE1 GLU A 51 8.071 5.752 13.720 1.00 10.00 O ATOM 776 OE2 GLU A 51 9.969 5.895 14.883 1.00 10.00 O ATOM 0 H GLU A 51 9.490 6.933 9.659 1.00 10.00 H new ATOM 0 HA GLU A 51 11.647 5.109 10.503 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.666 5.253 11.167 1.00 10.00 H new ATOM 0 HB3 GLU A 51 9.805 4.117 11.860 1.00 10.00 H new ATOM 0 HG2 GLU A 51 11.149 6.105 12.734 1.00 10.00 H new ATOM 0 HG3 GLU A 51 9.866 7.158 12.169 1.00 10.00 H new ATOM 783 N ALA A 52 9.597 4.613 8.083 1.00 10.00 N ATOM 784 CA ALA A 52 9.252 3.776 6.944 1.00 10.00 C ATOM 785 C ALA A 52 9.542 4.578 5.679 1.00 10.00 C ATOM 786 O ALA A 52 9.751 5.789 5.759 1.00 10.00 O ATOM 787 CB ALA A 52 7.763 3.431 7.017 1.00 10.00 C ATOM 0 H ALA A 52 9.261 5.571 7.981 1.00 10.00 H new ATOM 0 HA ALA A 52 9.829 2.851 6.943 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.493 2.803 6.168 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.559 2.895 7.944 1.00 10.00 H new ATOM 0 HB3 ALA A 52 7.175 4.349 6.992 1.00 10.00 H new ATOM 793 N SER A 53 9.554 3.937 4.511 1.00 10.00 N ATOM 794 CA SER A 53 9.647 4.605 3.228 1.00 10.00 C ATOM 795 C SER A 53 8.957 3.758 2.169 1.00 10.00 C ATOM 796 O SER A 53 8.685 2.569 2.353 1.00 10.00 O ATOM 797 CB SER A 53 11.108 4.867 2.850 1.00 10.00 C ATOM 798 OG SER A 53 11.696 5.800 3.736 1.00 10.00 O ATOM 0 H SER A 53 9.498 2.921 4.436 1.00 10.00 H new ATOM 0 HA SER A 53 9.149 5.572 3.294 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.668 3.932 2.875 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.162 5.244 1.829 1.00 10.00 H new ATOM 0 HG SER A 53 11.071 5.999 4.464 1.00 10.00 H new ATOM 804 N VAL A 54 8.691 4.406 1.037 1.00 10.00 N ATOM 805 CA VAL A 54 7.919 3.858 -0.064 1.00 10.00 C ATOM 806 C VAL A 54 8.504 2.519 -0.529 1.00 10.00 C ATOM 807 O VAL A 54 7.771 1.552 -0.705 1.00 10.00 O ATOM 808 CB VAL A 54 7.757 4.914 -1.169 1.00 10.00 C ATOM 809 CG1 VAL A 54 9.084 5.428 -1.744 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.869 4.394 -2.305 1.00 10.00 C ATOM 0 H VAL A 54 9.019 5.356 0.860 1.00 10.00 H new ATOM 0 HA VAL A 54 6.908 3.619 0.266 1.00 10.00 H new ATOM 0 HB VAL A 54 7.277 5.763 -0.682 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.883 6.169 -2.517 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.673 5.884 -0.948 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.640 4.596 -2.175 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.772 5.162 -3.072 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.320 3.502 -2.740 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.883 4.148 -1.912 1.00 10.00 H new ATOM 820 N SER A 55 9.828 2.442 -0.683 1.00 10.00 N ATOM 821 CA SER A 55 10.498 1.217 -1.110 1.00 10.00 C ATOM 822 C SER A 55 10.243 0.062 -0.133 1.00 10.00 C ATOM 823 O SER A 55 10.081 -1.085 -0.554 1.00 10.00 O ATOM 824 CB SER A 55 12.001 1.471 -1.286 1.00 10.00 C ATOM 825 OG SER A 55 12.584 0.440 -2.060 1.00 10.00 O ATOM 0 H SER A 55 10.461 3.224 -0.516 1.00 10.00 H new ATOM 0 HA SER A 55 10.080 0.920 -2.072 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.160 2.434 -1.771 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.485 1.522 -0.311 1.00 10.00 H new ATOM 0 HG SER A 55 13.543 0.613 -2.167 1.00 10.00 H new ATOM 831 N ASP A 56 10.220 0.352 1.170 1.00 10.00 N ATOM 832 CA ASP A 56 10.106 -0.678 2.192 1.00 10.00 C ATOM 833 C ASP A 56 8.708 -1.269 2.089 1.00 10.00 C ATOM 834 O ASP A 56 8.515 -2.475 1.935 1.00 10.00 O ATOM 835 CB ASP A 56 10.324 -0.095 3.598 1.00 10.00 C ATOM 836 CG ASP A 56 11.530 0.822 3.701 1.00 10.00 C ATOM 837 OD1 ASP A 56 12.583 0.471 3.127 1.00 10.00 O ATOM 838 OD2 ASP A 56 11.345 1.890 4.319 1.00 10.00 O ATOM 0 H ASP A 56 10.280 1.301 1.539 1.00 10.00 H new ATOM 0 HA ASP A 56 10.869 -1.440 2.034 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.433 0.458 3.894 1.00 10.00 H new ATOM 0 HB3 ASP A 56 10.441 -0.915 4.307 1.00 10.00 H new ATOM 843 N LEU A 57 7.715 -0.376 2.140 1.00 10.00 N ATOM 844 CA LEU A 57 6.332 -0.793 2.027 1.00 10.00 C ATOM 845 C LEU A 57 6.063 -1.432 0.663 1.00 10.00 C ATOM 846 O LEU A 57 5.223 -2.325 0.567 1.00 10.00 O ATOM 847 CB LEU A 57 5.366 0.320 2.449 1.00 10.00 C ATOM 848 CG LEU A 57 5.358 1.589 1.589 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.648 1.412 0.245 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.643 2.711 2.350 1.00 10.00 C ATOM 0 H LEU A 57 7.850 0.628 2.258 1.00 10.00 H new ATOM 0 HA LEU A 57 6.134 -1.589 2.745 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.357 -0.091 2.458 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.603 0.605 3.474 1.00 10.00 H new ATOM 0 HG LEU A 57 6.402 1.828 1.387 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.681 2.349 -0.310 1.00 10.00 H new ATOM 0 HD12 LEU A 57 5.147 0.632 -0.330 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.610 1.128 0.417 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.635 3.616 1.742 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.618 2.409 2.565 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.167 2.907 3.285 1.00 10.00 H new ATOM 862 N LYS A 58 6.808 -1.039 -0.382 1.00 10.00 N ATOM 863 CA LYS A 58 6.755 -1.724 -1.664 1.00 10.00 C ATOM 864 C LYS A 58 7.043 -3.197 -1.406 1.00 10.00 C ATOM 865 O LYS A 58 6.188 -4.020 -1.709 1.00 10.00 O ATOM 866 CB LYS A 58 7.747 -1.128 -2.684 1.00 10.00 C ATOM 867 CG LYS A 58 7.356 -1.303 -4.158 1.00 10.00 C ATOM 868 CD LYS A 58 6.942 -2.732 -4.552 1.00 10.00 C ATOM 869 CE LYS A 58 7.474 -3.160 -5.926 1.00 10.00 C ATOM 870 NZ LYS A 58 8.715 -3.952 -5.791 1.00 10.00 N ATOM 0 H LYS A 58 7.452 -0.248 -0.355 1.00 10.00 H new ATOM 0 HA LYS A 58 5.767 -1.599 -2.107 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.858 -0.063 -2.479 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.723 -1.587 -2.527 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.532 -0.626 -4.383 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.197 -0.999 -4.781 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.304 -3.429 -3.796 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.854 -2.800 -4.554 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.718 -3.748 -6.445 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.666 -2.278 -6.536 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 9.128 -4.114 -6.732 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.395 -3.434 -5.199 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 8.496 -4.867 -5.347 1.00 10.00 H new ATOM 884 N GLU A 59 8.220 -3.533 -0.862 1.00 10.00 N ATOM 885 CA GLU A 59 8.601 -4.922 -0.608 1.00 10.00 C ATOM 886 C GLU A 59 7.506 -5.625 0.195 1.00 10.00 C ATOM 887 O GLU A 59 7.109 -6.737 -0.116 1.00 10.00 O ATOM 888 CB GLU A 59 9.957 -4.966 0.113 1.00 10.00 C ATOM 889 CG GLU A 59 10.644 -6.341 0.023 1.00 10.00 C ATOM 890 CD GLU A 59 10.005 -7.439 0.880 1.00 10.00 C ATOM 891 OE1 GLU A 59 9.521 -7.107 1.985 1.00 10.00 O ATOM 892 OE2 GLU A 59 10.034 -8.604 0.431 1.00 10.00 O ATOM 0 H GLU A 59 8.928 -2.852 -0.588 1.00 10.00 H new ATOM 0 HA GLU A 59 8.709 -5.453 -1.553 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.614 -4.209 -0.315 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.813 -4.706 1.162 1.00 10.00 H new ATOM 0 HG2 GLU A 59 10.641 -6.665 -1.018 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.687 -6.230 0.319 1.00 10.00 H new ATOM 899 N ALA A 60 6.970 -4.932 1.193 1.00 10.00 N ATOM 900 CA ALA A 60 5.939 -5.434 2.083 1.00 10.00 C ATOM 901 C ALA A 60 4.677 -5.823 1.305 1.00 10.00 C ATOM 902 O ALA A 60 4.084 -6.867 1.573 1.00 10.00 O ATOM 903 CB ALA A 60 5.647 -4.388 3.161 1.00 10.00 C ATOM 0 H ALA A 60 7.252 -3.976 1.409 1.00 10.00 H new ATOM 0 HA ALA A 60 6.295 -6.342 2.570 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.873 -4.762 3.831 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.555 -4.189 3.731 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.305 -3.466 2.690 1.00 10.00 H new ATOM 909 N VAL A 61 4.260 -4.989 0.348 1.00 10.00 N ATOM 910 CA VAL A 61 3.157 -5.303 -0.551 1.00 10.00 C ATOM 911 C VAL A 61 3.559 -6.453 -1.479 1.00 10.00 C ATOM 912 O VAL A 61 2.825 -7.429 -1.613 1.00 10.00 O ATOM 913 CB VAL A 61 2.736 -4.040 -1.324 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.696 -4.381 -2.397 1.00 10.00 C ATOM 915 CG2 VAL A 61 2.169 -2.982 -0.360 1.00 10.00 C ATOM 0 H VAL A 61 4.682 -4.076 0.178 1.00 10.00 H new ATOM 0 HA VAL A 61 2.290 -5.634 0.020 1.00 10.00 H new ATOM 0 HB VAL A 61 3.621 -3.633 -1.814 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.413 -3.474 -2.931 1.00 10.00 H new ATOM 0 HG12 VAL A 61 2.120 -5.098 -3.100 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.814 -4.814 -1.925 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.876 -2.096 -0.923 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.298 -3.388 0.155 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.930 -2.712 0.372 1.00 10.00 H new ATOM 925 N ASP A 62 4.735 -6.348 -2.099 1.00 10.00 N ATOM 926 CA ASP A 62 5.314 -7.347 -2.989 1.00 10.00 C ATOM 927 C ASP A 62 5.217 -8.731 -2.339 1.00 10.00 C ATOM 928 O ASP A 62 4.762 -9.696 -2.950 1.00 10.00 O ATOM 929 CB ASP A 62 6.773 -6.965 -3.304 1.00 10.00 C ATOM 930 CG ASP A 62 7.164 -7.255 -4.741 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.934 -8.395 -5.191 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.672 -6.307 -5.386 1.00 10.00 O ATOM 0 H ASP A 62 5.333 -5.529 -1.988 1.00 10.00 H new ATOM 0 HA ASP A 62 4.763 -7.381 -3.929 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.917 -5.904 -3.101 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.438 -7.511 -2.635 1.00 10.00 H new ATOM 937 N LYS A 63 5.567 -8.793 -1.049 1.00 10.00 N ATOM 938 CA LYS A 63 5.582 -10.015 -0.257 1.00 10.00 C ATOM 939 C LYS A 63 4.221 -10.725 -0.221 1.00 10.00 C ATOM 940 O LYS A 63 4.173 -11.936 -0.013 1.00 10.00 O ATOM 941 CB LYS A 63 6.088 -9.692 1.158 1.00 10.00 C ATOM 942 CG LYS A 63 6.636 -10.935 1.867 1.00 10.00 C ATOM 943 CD LYS A 63 7.319 -10.527 3.177 1.00 10.00 C ATOM 944 CE LYS A 63 7.991 -11.747 3.824 1.00 10.00 C ATOM 945 NZ LYS A 63 8.840 -11.367 4.972 1.00 10.00 N ATOM 0 H LYS A 63 5.854 -7.970 -0.519 1.00 10.00 H new ATOM 0 HA LYS A 63 6.262 -10.719 -0.737 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.869 -8.934 1.100 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.274 -9.268 1.746 1.00 10.00 H new ATOM 0 HG2 LYS A 63 5.826 -11.635 2.071 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.347 -11.450 1.221 1.00 10.00 H new ATOM 0 HD2 LYS A 63 8.062 -9.753 2.983 1.00 10.00 H new ATOM 0 HD3 LYS A 63 6.585 -10.101 3.861 1.00 10.00 H new ATOM 0 HE2 LYS A 63 7.226 -12.449 4.156 1.00 10.00 H new ATOM 0 HE3 LYS A 63 8.597 -12.264 3.080 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 9.275 -12.219 5.380 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 9.586 -10.717 4.652 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 8.258 -10.897 5.694 1.00 10.00 H new ATOM 959 N LEU A 64 3.115 -9.995 -0.399 1.00 10.00 N ATOM 960 CA LEU A 64 1.777 -10.576 -0.445 1.00 10.00 C ATOM 961 C LEU A 64 1.487 -11.243 -1.796 1.00 10.00 C ATOM 962 O LEU A 64 0.570 -12.056 -1.875 1.00 10.00 O ATOM 963 CB LEU A 64 0.735 -9.504 -0.111 1.00 10.00 C ATOM 964 CG LEU A 64 0.659 -9.220 1.395 1.00 10.00 C ATOM 965 CD1 LEU A 64 0.247 -7.770 1.653 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.358 -10.159 2.051 1.00 10.00 C ATOM 0 H LEU A 64 3.127 -8.982 -0.515 1.00 10.00 H new ATOM 0 HA LEU A 64 1.720 -11.365 0.305 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.980 -8.584 -0.641 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.243 -9.826 -0.468 1.00 10.00 H new ATOM 0 HG LEU A 64 1.647 -9.388 1.825 1.00 10.00 H new ATOM 0 HD11 LEU A 64 0.199 -7.591 2.727 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.980 -7.098 1.205 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -0.732 -7.586 1.211 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.407 -9.952 3.120 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.340 -10.000 1.605 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -0.052 -11.193 1.895 1.00 10.00 H new ATOM 978 N GLY A 65 2.242 -10.918 -2.853 1.00 10.00 N ATOM 979 CA GLY A 65 2.171 -11.597 -4.141 1.00 10.00 C ATOM 980 C GLY A 65 1.979 -10.596 -5.274 1.00 10.00 C ATOM 981 O GLY A 65 2.778 -10.545 -6.211 1.00 10.00 O ATOM 0 H GLY A 65 2.928 -10.164 -2.831 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.084 -12.168 -4.306 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.346 -12.309 -4.136 1.00 10.00 H new ATOM 985 N TYR A 66 0.912 -9.799 -5.194 1.00 10.00 N ATOM 986 CA TYR A 66 0.615 -8.733 -6.151 1.00 10.00 C ATOM 987 C TYR A 66 1.757 -7.712 -6.217 1.00 10.00 C ATOM 988 O TYR A 66 2.659 -7.728 -5.384 1.00 10.00 O ATOM 989 CB TYR A 66 -0.738 -8.078 -5.836 1.00 10.00 C ATOM 990 CG TYR A 66 -1.142 -8.054 -4.376 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.358 -7.365 -3.433 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.262 -8.792 -3.944 1.00 10.00 C ATOM 993 CE1 TYR A 66 -0.780 -7.299 -2.096 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.670 -8.724 -2.602 1.00 10.00 C ATOM 995 CZ TYR A 66 -1.993 -7.884 -1.710 1.00 10.00 C ATOM 996 OH TYR A 66 -2.510 -7.622 -0.482 1.00 10.00 O ATOM 0 H TYR A 66 0.219 -9.878 -4.450 1.00 10.00 H new ATOM 0 HA TYR A 66 0.534 -9.175 -7.144 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.716 -7.052 -6.203 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.512 -8.601 -6.398 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.563 -6.890 -3.736 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.806 -9.409 -4.644 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.168 -6.796 -1.362 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.504 -9.318 -2.259 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.485 -7.544 -0.547 1.00 10.00 H new ATOM 1006 N LYS A 67 1.778 -6.880 -7.263 1.00 10.00 N ATOM 1007 CA LYS A 67 2.827 -5.881 -7.470 1.00 10.00 C ATOM 1008 C LYS A 67 2.264 -4.488 -7.163 1.00 10.00 C ATOM 1009 O LYS A 67 1.048 -4.330 -7.061 1.00 10.00 O ATOM 1010 CB LYS A 67 3.390 -5.995 -8.902 1.00 10.00 C ATOM 1011 CG LYS A 67 4.926 -5.978 -8.971 1.00 10.00 C ATOM 1012 CD LYS A 67 5.614 -7.358 -8.979 1.00 10.00 C ATOM 1013 CE LYS A 67 5.400 -8.194 -7.708 1.00 10.00 C ATOM 1014 NZ LYS A 67 4.195 -9.036 -7.783 1.00 10.00 N ATOM 0 H LYS A 67 1.064 -6.882 -7.992 1.00 10.00 H new ATOM 0 HA LYS A 67 3.661 -6.057 -6.790 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.026 -6.918 -9.352 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.000 -5.173 -9.502 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.224 -5.439 -9.870 1.00 10.00 H new ATOM 0 HG3 LYS A 67 5.303 -5.410 -8.120 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.249 -7.925 -9.835 1.00 10.00 H new ATOM 0 HD3 LYS A 67 6.684 -7.213 -9.126 1.00 10.00 H new ATOM 0 HE2 LYS A 67 6.272 -8.827 -7.542 1.00 10.00 H new ATOM 0 HE3 LYS A 67 5.321 -7.529 -6.848 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 3.893 -9.296 -6.822 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 3.432 -8.509 -8.255 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 4.407 -9.898 -8.325 1.00 10.00 H new ATOM 1028 N LEU A 68 3.139 -3.488 -6.997 1.00 10.00 N ATOM 1029 CA LEU A 68 2.778 -2.119 -6.670 1.00 10.00 C ATOM 1030 C LEU A 68 3.819 -1.206 -7.306 1.00 10.00 C ATOM 1031 O LEU A 68 4.960 -1.628 -7.514 1.00 10.00 O ATOM 1032 CB LEU A 68 2.719 -1.946 -5.144 1.00 10.00 C ATOM 1033 CG LEU A 68 2.319 -0.555 -4.622 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.399 -0.693 -3.404 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.564 0.239 -4.193 1.00 10.00 C ATOM 0 H LEU A 68 4.146 -3.622 -7.091 1.00 10.00 H new ATOM 0 HA LEU A 68 1.791 -1.865 -7.057 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.013 -2.675 -4.746 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.698 -2.194 -4.735 1.00 10.00 H new ATOM 0 HG LEU A 68 1.804 -0.031 -5.427 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.122 0.298 -3.043 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.500 -1.240 -3.687 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.920 -1.235 -2.614 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.262 1.220 -3.827 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.084 -0.300 -3.401 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.230 0.360 -5.047 1.00 10.00 H new ATOM 1047 N LYS A 69 3.425 0.031 -7.601 1.00 10.00 N ATOM 1048 CA LYS A 69 4.258 1.073 -8.183 1.00 10.00 C ATOM 1049 C LYS A 69 3.743 2.429 -7.716 1.00 10.00 C ATOM 1050 O LYS A 69 2.645 2.518 -7.181 1.00 10.00 O ATOM 1051 CB LYS A 69 4.184 1.051 -9.714 1.00 10.00 C ATOM 1052 CG LYS A 69 4.815 -0.173 -10.383 1.00 10.00 C ATOM 1053 CD LYS A 69 5.139 0.230 -11.827 1.00 10.00 C ATOM 1054 CE LYS A 69 5.519 -0.980 -12.685 1.00 10.00 C ATOM 1055 NZ LYS A 69 5.831 -0.575 -14.070 1.00 10.00 N ATOM 0 H LYS A 69 2.470 0.346 -7.431 1.00 10.00 H new ATOM 0 HA LYS A 69 5.288 0.902 -7.869 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.137 1.107 -10.011 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.673 1.946 -10.098 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.718 -0.480 -9.855 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.130 -1.021 -10.362 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.276 0.730 -12.267 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.959 0.948 -11.828 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.381 -1.483 -12.247 1.00 10.00 H new ATOM 0 HE3 LYS A 69 4.699 -1.698 -12.689 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 6.085 -1.415 -14.628 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 4.999 -0.116 -14.493 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.629 0.092 -14.065 1.00 10.00 H new ATOM 1069 N LEU A 70 4.520 3.484 -7.966 1.00 10.00 N ATOM 1070 CA LEU A 70 4.114 4.862 -7.726 1.00 10.00 C ATOM 1071 C LEU A 70 2.907 5.240 -8.580 1.00 10.00 C ATOM 1072 O LEU A 70 2.746 4.757 -9.701 1.00 10.00 O ATOM 1073 CB LEU A 70 5.311 5.804 -7.933 1.00 10.00 C ATOM 1074 CG LEU A 70 5.025 7.314 -8.073 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.286 8.093 -7.677 1.00 10.00 C ATOM 1076 CD2 LEU A 70 4.671 7.726 -9.512 1.00 10.00 C ATOM 0 H LEU A 70 5.463 3.400 -8.347 1.00 10.00 H new ATOM 0 HA LEU A 70 3.792 4.965 -6.690 1.00 10.00 H new ATOM 0 HB2 LEU A 70 5.992 5.669 -7.093 1.00 10.00 H new ATOM 0 HB3 LEU A 70 5.841 5.479 -8.828 1.00 10.00 H new ATOM 0 HG LEU A 70 4.173 7.536 -7.430 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.098 9.162 -7.771 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.548 7.860 -6.645 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.109 7.810 -8.333 1.00 10.00 H new ATOM 0 HD21 LEU A 70 4.481 8.799 -9.547 1.00 10.00 H new ATOM 0 HD22 LEU A 70 5.502 7.483 -10.175 1.00 10.00 H new ATOM 0 HD23 LEU A 70 3.780 7.189 -9.836 1.00 10.00 H new ATOM 1088 N LYS A 71 2.096 6.145 -8.032 1.00 10.00 N ATOM 1089 CA LYS A 71 1.015 6.841 -8.711 1.00 10.00 C ATOM 1090 C LYS A 71 1.186 8.354 -8.591 1.00 10.00 C ATOM 1091 O LYS A 71 1.147 9.060 -9.596 1.00 10.00 O ATOM 1092 CB LYS A 71 -0.361 6.379 -8.209 1.00 10.00 C ATOM 1093 CG LYS A 71 -1.442 6.554 -9.281 1.00 10.00 C ATOM 1094 CD LYS A 71 -1.390 5.371 -10.259 1.00 10.00 C ATOM 1095 CE LYS A 71 -2.156 5.650 -11.556 1.00 10.00 C ATOM 1096 NZ LYS A 71 -2.051 4.508 -12.484 1.00 10.00 N ATOM 0 H LYS A 71 2.184 6.423 -7.054 1.00 10.00 H new ATOM 0 HA LYS A 71 1.064 6.585 -9.769 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.308 5.331 -7.913 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.634 6.948 -7.320 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.426 6.611 -8.815 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.289 7.490 -9.818 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.350 5.145 -10.496 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.807 4.487 -9.777 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.204 5.845 -11.330 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.760 6.548 -12.031 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -2.958 4.376 -12.976 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -1.303 4.695 -13.182 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -1.818 3.647 -11.950 1.00 10.00 H new ATOM 1110 N GLY A 72 1.375 8.852 -7.370 1.00 10.00 N ATOM 1111 CA GLY A 72 1.456 10.277 -7.106 1.00 10.00 C ATOM 1112 C GLY A 72 1.653 10.495 -5.613 1.00 10.00 C ATOM 1113 O GLY A 72 1.995 9.549 -4.903 1.00 10.00 O ATOM 0 H GLY A 72 1.476 8.272 -6.537 1.00 10.00 H new ATOM 0 HA2 GLY A 72 2.284 10.716 -7.663 1.00 10.00 H new ATOM 0 HA3 GLY A 72 0.546 10.774 -7.442 1.00 10.00 H new ATOM 1117 N GLU A 73 1.429 11.725 -5.143 1.00 10.00 N ATOM 1118 CA GLU A 73 1.757 12.121 -3.781 1.00 10.00 C ATOM 1119 C GLU A 73 1.081 13.445 -3.406 1.00 10.00 C ATOM 1120 O GLU A 73 1.671 14.296 -2.743 1.00 10.00 O ATOM 1121 CB GLU A 73 3.290 12.130 -3.616 1.00 10.00 C ATOM 1122 CG GLU A 73 4.038 12.937 -4.695 1.00 10.00 C ATOM 1123 CD GLU A 73 5.465 12.434 -4.874 1.00 10.00 C ATOM 1124 OE1 GLU A 73 5.603 11.352 -5.485 1.00 10.00 O ATOM 1125 OE2 GLU A 73 6.387 13.142 -4.416 1.00 10.00 O ATOM 0 H GLU A 73 1.014 12.471 -5.701 1.00 10.00 H new ATOM 0 HA GLU A 73 1.359 11.395 -3.072 1.00 10.00 H new ATOM 0 HB2 GLU A 73 3.536 12.540 -2.636 1.00 10.00 H new ATOM 0 HB3 GLU A 73 3.652 11.102 -3.632 1.00 10.00 H new ATOM 0 HG2 GLU A 73 3.503 12.864 -5.642 1.00 10.00 H new ATOM 0 HG3 GLU A 73 4.054 13.991 -4.418 1.00 10.00 H new ATOM 1132 N GLN A 74 -0.178 13.623 -3.828 1.00 10.00 N ATOM 1133 CA GLN A 74 -0.938 14.836 -3.543 1.00 10.00 C ATOM 1134 C GLN A 74 -2.442 14.597 -3.744 1.00 10.00 C ATOM 1135 O GLN A 74 -3.089 15.337 -4.482 1.00 10.00 O ATOM 1136 CB GLN A 74 -0.417 15.994 -4.417 1.00 10.00 C ATOM 1137 CG GLN A 74 -0.782 17.355 -3.809 1.00 10.00 C ATOM 1138 CD GLN A 74 -0.572 18.502 -4.795 1.00 10.00 C ATOM 1139 OE1 GLN A 74 0.367 18.498 -5.584 1.00 10.00 O ATOM 1140 NE2 GLN A 74 -1.447 19.504 -4.760 1.00 10.00 N ATOM 0 H GLN A 74 -0.692 12.931 -4.374 1.00 10.00 H new ATOM 0 HA GLN A 74 -0.797 15.112 -2.498 1.00 10.00 H new ATOM 0 HB2 GLN A 74 0.665 15.917 -4.520 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -0.839 15.915 -5.419 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -1.824 17.340 -3.488 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -0.177 17.528 -2.919 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -2.219 19.483 -4.094 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -1.345 20.293 -5.399 1.00 10.00 H new ATOM 1149 N ASP A 75 -2.984 13.571 -3.078 1.00 10.00 N ATOM 1150 CA ASP A 75 -4.413 13.240 -3.044 1.00 10.00 C ATOM 1151 C ASP A 75 -5.050 13.312 -4.444 1.00 10.00 C ATOM 1152 O ASP A 75 -5.942 14.123 -4.683 1.00 10.00 O ATOM 1153 CB ASP A 75 -5.151 14.158 -2.045 1.00 10.00 C ATOM 1154 CG ASP A 75 -4.718 14.012 -0.593 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -4.377 12.894 -0.159 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -4.730 15.032 0.131 1.00 10.00 O ATOM 0 H ASP A 75 -2.419 12.925 -2.528 1.00 10.00 H new ATOM 0 HA ASP A 75 -4.511 12.209 -2.704 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -5.003 15.194 -2.350 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -6.220 13.956 -2.111 1.00 10.00 H new ATOM 1161 N SER A 76 -4.608 12.462 -5.377 1.00 10.00 N ATOM 1162 CA SER A 76 -4.962 12.538 -6.792 1.00 10.00 C ATOM 1163 C SER A 76 -5.851 11.357 -7.199 1.00 10.00 C ATOM 1164 O SER A 76 -5.691 10.825 -8.297 1.00 10.00 O ATOM 1165 CB SER A 76 -3.668 12.570 -7.616 1.00 10.00 C ATOM 1166 OG SER A 76 -3.957 12.790 -8.983 1.00 10.00 O ATOM 0 H SER A 76 -3.981 11.687 -5.161 1.00 10.00 H new ATOM 0 HA SER A 76 -5.535 13.446 -6.980 1.00 10.00 H new ATOM 0 HB2 SER A 76 -3.013 13.358 -7.245 1.00 10.00 H new ATOM 0 HB3 SER A 76 -3.132 11.628 -7.498 1.00 10.00 H new ATOM 0 HG SER A 76 -4.674 12.185 -9.267 1.00 10.00 H new ATOM 1172 N ILE A 77 -6.793 10.985 -6.324 1.00 10.00 N ATOM 1173 CA ILE A 77 -7.645 9.800 -6.419 1.00 10.00 C ATOM 1174 C ILE A 77 -8.032 9.461 -7.865 1.00 10.00 C ATOM 1175 O ILE A 77 -7.698 8.380 -8.348 1.00 10.00 O ATOM 1176 CB ILE A 77 -8.887 9.950 -5.512 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -8.500 10.309 -4.062 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -9.701 8.647 -5.503 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -8.713 11.797 -3.759 1.00 10.00 C ATOM 0 H ILE A 77 -6.990 11.534 -5.487 1.00 10.00 H new ATOM 0 HA ILE A 77 -7.061 8.953 -6.061 1.00 10.00 H new ATOM 0 HB ILE A 77 -9.486 10.763 -5.921 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -9.093 9.710 -3.370 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -7.455 10.051 -3.892 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -10.573 8.767 -4.860 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -10.027 8.415 -6.517 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -9.081 7.833 -5.126 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -8.427 12.003 -2.727 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -8.100 12.397 -4.432 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -9.763 12.051 -3.902 1.00 10.00 H new ATOM 1191 N GLU A 78 -8.749 10.364 -8.540 1.00 10.00 N ATOM 1192 CA GLU A 78 -9.100 10.235 -9.946 1.00 10.00 C ATOM 1193 C GLU A 78 -8.296 11.249 -10.766 1.00 10.00 C ATOM 1194 O GLU A 78 -7.868 12.277 -10.243 1.00 10.00 O ATOM 1195 CB GLU A 78 -10.619 10.370 -10.132 1.00 10.00 C ATOM 1196 CG GLU A 78 -11.209 11.680 -9.594 1.00 10.00 C ATOM 1197 CD GLU A 78 -12.719 11.710 -9.801 1.00 10.00 C ATOM 1198 OE1 GLU A 78 -13.390 10.875 -9.157 1.00 10.00 O ATOM 1199 OE2 GLU A 78 -13.171 12.547 -10.611 1.00 10.00 O ATOM 0 H GLU A 78 -9.105 11.218 -8.112 1.00 10.00 H new ATOM 0 HA GLU A 78 -8.837 9.243 -10.313 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -10.851 10.290 -11.194 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -11.110 9.533 -9.635 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -10.979 11.781 -8.533 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -10.749 12.528 -10.101 1.00 10.00 H new ATOM 1206 N GLY A 79 -8.066 10.927 -12.042 1.00 10.00 N ATOM 1207 CA GLY A 79 -7.270 11.732 -12.958 1.00 10.00 C ATOM 1208 C GLY A 79 -8.167 12.478 -13.942 1.00 10.00 C ATOM 1209 O GLY A 79 -9.217 12.994 -13.567 1.00 10.00 O ATOM 0 H GLY A 79 -8.438 10.080 -12.471 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -6.669 12.445 -12.394 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -6.577 11.092 -13.504 1.00 10.00 H new ATOM 1213 N ARG A 80 -7.762 12.524 -15.213 1.00 10.00 N ATOM 1214 CA ARG A 80 -8.521 13.093 -16.308 1.00 10.00 C ATOM 1215 C ARG A 80 -8.057 12.321 -17.538 1.00 10.00 C ATOM 1216 O ARG A 80 -6.908 11.827 -17.477 1.00 10.00 O ATOM 1217 CB ARG A 80 -8.240 14.604 -16.409 1.00 10.00 C ATOM 1218 CG ARG A 80 -9.419 15.398 -16.991 1.00 10.00 C ATOM 1219 CD ARG A 80 -9.485 15.387 -18.525 1.00 10.00 C ATOM 1220 NE ARG A 80 -10.880 15.449 -18.993 1.00 10.00 N ATOM 1221 CZ ARG A 80 -11.684 14.395 -19.229 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -11.235 13.140 -19.137 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -12.962 14.607 -19.561 1.00 10.00 N ATOM 1224 OXT ARG A 80 -8.858 12.215 -18.493 1.00 10.00 O ATOM 0 H ARG A 80 -6.861 12.149 -15.510 1.00 10.00 H new ATOM 0 HA ARG A 80 -9.600 13.006 -16.184 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -8.003 14.991 -15.418 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -7.360 14.763 -17.032 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -10.349 14.990 -16.595 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -9.352 16.431 -16.648 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -8.926 16.234 -18.923 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -9.009 14.484 -18.907 1.00 10.00 H new ATOM 0 HE ARG A 80 -11.274 16.376 -19.153 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -10.263 12.963 -18.883 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -11.864 12.358 -19.321 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -13.319 15.560 -19.633 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -13.580 13.816 -19.742 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -6.960 -11.927 -4.752 1.00 10.00 CU