USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 369 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 132:sc= 1.26 USER MOD Set 1.2: A 30 CYS SG : rot -65:sc= -3.59 USER MOD Single : A 1 ASP N :NH3+ -119:sc= 0.181 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 11 THR OG1 : rot 94:sc= 1.14 USER MOD Single : A 13 HIS : no HD1:sc= -2.42 X(o=-2.4,f=-2.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.4) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 93:sc= 1.13 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0426 K(o=-0.043,f=-0.74) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc=-3.98e-05 X(o=-4e-05,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.300 0.018 -0.009 1.00 10.00 N ATOM 2 CA ASP A 1 2.074 0.031 -1.269 1.00 10.00 C ATOM 3 C ASP A 1 3.366 -0.720 -1.040 1.00 10.00 C ATOM 4 O ASP A 1 3.595 -1.221 0.056 1.00 10.00 O ATOM 5 CB ASP A 1 2.404 1.465 -1.715 1.00 10.00 C ATOM 6 CG ASP A 1 1.179 2.202 -2.218 1.00 10.00 C ATOM 7 OD1 ASP A 1 0.228 1.483 -2.584 1.00 10.00 O ATOM 8 OD2 ASP A 1 1.193 3.440 -2.103 1.00 10.00 O ATOM 0 H1 ASP A 1 0.392 -0.464 -0.164 1.00 10.00 H new ATOM 0 H2 ASP A 1 1.839 -0.486 0.724 1.00 10.00 H new ATOM 0 H3 ASP A 1 1.125 0.995 0.301 1.00 10.00 H new ATOM 0 HA ASP A 1 1.476 -0.437 -2.051 1.00 10.00 H new ATOM 0 HB2 ASP A 1 2.838 2.013 -0.879 1.00 10.00 H new ATOM 0 HB3 ASP A 1 3.157 1.435 -2.502 1.00 10.00 H new ATOM 15 N GLU A 2 4.235 -0.753 -2.033 1.00 10.00 N ATOM 16 CA GLU A 2 5.521 -1.440 -1.996 1.00 10.00 C ATOM 17 C GLU A 2 6.583 -0.520 -2.574 1.00 10.00 C ATOM 18 O GLU A 2 6.477 -0.127 -3.724 1.00 10.00 O ATOM 19 CB GLU A 2 5.467 -2.738 -2.811 1.00 10.00 C ATOM 20 CG GLU A 2 4.420 -2.710 -3.942 1.00 10.00 C ATOM 21 CD GLU A 2 4.650 -3.865 -4.914 1.00 10.00 C ATOM 22 OE1 GLU A 2 5.518 -3.714 -5.800 1.00 10.00 O ATOM 23 OE2 GLU A 2 4.022 -4.925 -4.702 1.00 10.00 O ATOM 0 H GLU A 2 4.062 -0.286 -2.923 1.00 10.00 H new ATOM 0 HA GLU A 2 5.761 -1.694 -0.963 1.00 10.00 H new ATOM 0 HB2 GLU A 2 6.450 -2.929 -3.241 1.00 10.00 H new ATOM 0 HB3 GLU A 2 5.245 -3.569 -2.142 1.00 10.00 H new ATOM 0 HG2 GLU A 2 3.418 -2.777 -3.519 1.00 10.00 H new ATOM 0 HG3 GLU A 2 4.478 -1.761 -4.475 1.00 10.00 H new ATOM 30 N ALA A 3 7.570 -0.142 -1.763 1.00 10.00 N ATOM 31 CA ALA A 3 8.680 0.728 -2.173 1.00 10.00 C ATOM 32 C ALA A 3 9.553 1.060 -0.975 1.00 10.00 C ATOM 33 O ALA A 3 10.354 0.230 -0.573 1.00 10.00 O ATOM 34 CB ALA A 3 8.140 2.017 -2.819 1.00 10.00 C ATOM 0 H ALA A 3 7.625 -0.434 -0.787 1.00 10.00 H new ATOM 0 HA ALA A 3 9.285 0.201 -2.911 1.00 10.00 H new ATOM 0 HB1 ALA A 3 8.974 2.652 -3.118 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.545 1.763 -3.696 1.00 10.00 H new ATOM 0 HB3 ALA A 3 7.517 2.551 -2.101 1.00 10.00 H new ATOM 40 N GLN A 4 9.292 2.191 -0.310 1.00 10.00 N ATOM 41 CA GLN A 4 10.027 2.616 0.880 1.00 10.00 C ATOM 42 C GLN A 4 10.050 1.531 1.963 1.00 10.00 C ATOM 43 O GLN A 4 10.967 1.429 2.765 1.00 10.00 O ATOM 44 CB GLN A 4 9.400 3.904 1.444 1.00 10.00 C ATOM 45 CG GLN A 4 10.449 5.015 1.589 1.00 10.00 C ATOM 46 CD GLN A 4 10.353 5.689 2.946 1.00 10.00 C ATOM 47 OE1 GLN A 4 10.854 5.231 3.953 1.00 10.00 O ATOM 48 NE2 GLN A 4 9.661 6.798 3.023 1.00 10.00 N ATOM 0 H GLN A 4 8.557 2.841 -0.588 1.00 10.00 H new ATOM 0 HA GLN A 4 11.059 2.802 0.582 1.00 10.00 H new ATOM 0 HB2 GLN A 4 8.599 4.240 0.785 1.00 10.00 H new ATOM 0 HB3 GLN A 4 8.949 3.697 2.415 1.00 10.00 H new ATOM 0 HG2 GLN A 4 11.447 4.596 1.458 1.00 10.00 H new ATOM 0 HG3 GLN A 4 10.309 5.756 0.802 1.00 10.00 H new ATOM 0 HE21 GLN A 4 9.235 7.193 2.184 1.00 10.00 H new ATOM 0 HE22 GLN A 4 9.548 7.267 3.922 1.00 10.00 H new ATOM 57 N PHE A 5 9.031 0.677 1.943 1.00 10.00 N ATOM 58 CA PHE A 5 8.921 -0.489 2.791 1.00 10.00 C ATOM 59 C PHE A 5 9.616 -1.700 2.204 1.00 10.00 C ATOM 60 O PHE A 5 10.342 -2.375 2.908 1.00 10.00 O ATOM 61 CB PHE A 5 7.443 -0.801 2.936 1.00 10.00 C ATOM 62 CG PHE A 5 7.159 -1.797 4.027 1.00 10.00 C ATOM 63 CD1 PHE A 5 7.457 -3.165 3.855 1.00 10.00 C ATOM 64 CD2 PHE A 5 6.581 -1.341 5.220 1.00 10.00 C ATOM 65 CE1 PHE A 5 7.184 -4.076 4.887 1.00 10.00 C ATOM 66 CE2 PHE A 5 6.276 -2.268 6.224 1.00 10.00 C ATOM 67 CZ PHE A 5 6.607 -3.622 6.077 1.00 10.00 C ATOM 0 H PHE A 5 8.237 0.788 1.313 1.00 10.00 H new ATOM 0 HA PHE A 5 9.399 -0.273 3.747 1.00 10.00 H new ATOM 0 HB2 PHE A 5 6.901 0.122 3.143 1.00 10.00 H new ATOM 0 HB3 PHE A 5 7.064 -1.188 1.990 1.00 10.00 H new ATOM 0 HD1 PHE A 5 7.895 -3.511 2.930 1.00 10.00 H new ATOM 0 HD2 PHE A 5 6.374 -0.291 5.362 1.00 10.00 H new ATOM 0 HE1 PHE A 5 7.418 -5.123 4.763 1.00 10.00 H new ATOM 0 HE2 PHE A 5 5.779 -1.935 7.123 1.00 10.00 H new ATOM 0 HZ PHE A 5 6.416 -4.315 6.883 1.00 10.00 H new ATOM 77 N LYS A 6 9.416 -1.983 0.916 1.00 10.00 N ATOM 78 CA LYS A 6 10.094 -3.087 0.233 1.00 10.00 C ATOM 79 C LYS A 6 11.607 -2.947 0.319 1.00 10.00 C ATOM 80 O LYS A 6 12.296 -3.947 0.443 1.00 10.00 O ATOM 81 CB LYS A 6 9.599 -3.187 -1.224 1.00 10.00 C ATOM 82 CG LYS A 6 9.419 -4.654 -1.634 1.00 10.00 C ATOM 83 CD LYS A 6 10.715 -5.249 -2.205 1.00 10.00 C ATOM 84 CE LYS A 6 10.684 -6.775 -2.173 1.00 10.00 C ATOM 85 NZ LYS A 6 9.859 -7.299 -3.285 1.00 10.00 N ATOM 0 H LYS A 6 8.781 -1.455 0.317 1.00 10.00 H new ATOM 0 HA LYS A 6 9.843 -4.020 0.737 1.00 10.00 H new ATOM 0 HB2 LYS A 6 8.653 -2.656 -1.330 1.00 10.00 H new ATOM 0 HB3 LYS A 6 10.313 -2.703 -1.890 1.00 10.00 H new ATOM 0 HG2 LYS A 6 9.101 -5.237 -0.769 1.00 10.00 H new ATOM 0 HG3 LYS A 6 8.626 -4.729 -2.378 1.00 10.00 H new ATOM 0 HD2 LYS A 6 10.854 -4.907 -3.231 1.00 10.00 H new ATOM 0 HD3 LYS A 6 11.568 -4.888 -1.630 1.00 10.00 H new ATOM 0 HE2 LYS A 6 11.698 -7.167 -2.248 1.00 10.00 H new ATOM 0 HE3 LYS A 6 10.280 -7.117 -1.220 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 9.848 -8.338 -3.249 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 8.887 -6.939 -3.196 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 10.261 -6.988 -4.192 1.00 10.00 H new ATOM 99 N GLU A 7 12.101 -1.719 0.373 1.00 10.00 N ATOM 100 CA GLU A 7 13.510 -1.444 0.568 1.00 10.00 C ATOM 101 C GLU A 7 13.919 -1.611 2.011 1.00 10.00 C ATOM 102 O GLU A 7 15.011 -2.102 2.246 1.00 10.00 O ATOM 103 CB GLU A 7 13.852 -0.029 0.109 1.00 10.00 C ATOM 104 CG GLU A 7 14.109 -0.007 -1.399 1.00 10.00 C ATOM 105 CD GLU A 7 14.015 1.423 -1.944 1.00 10.00 C ATOM 106 OE1 GLU A 7 14.596 2.330 -1.307 1.00 10.00 O ATOM 107 OE2 GLU A 7 13.315 1.605 -2.967 1.00 10.00 O ATOM 0 H GLU A 7 11.527 -0.881 0.282 1.00 10.00 H new ATOM 0 HA GLU A 7 14.061 -2.167 -0.033 1.00 10.00 H new ATOM 0 HB2 GLU A 7 13.034 0.648 0.355 1.00 10.00 H new ATOM 0 HB3 GLU A 7 14.734 0.330 0.640 1.00 10.00 H new ATOM 0 HG2 GLU A 7 15.096 -0.418 -1.611 1.00 10.00 H new ATOM 0 HG3 GLU A 7 13.383 -0.643 -1.906 1.00 10.00 H new ATOM 114 N CYS A 8 13.056 -1.283 2.969 1.00 10.00 N ATOM 115 CA CYS A 8 13.358 -1.518 4.368 1.00 10.00 C ATOM 116 C CYS A 8 13.296 -2.992 4.676 1.00 10.00 C ATOM 117 O CYS A 8 14.187 -3.475 5.319 1.00 10.00 O ATOM 118 CB CYS A 8 12.369 -0.777 5.253 1.00 10.00 C ATOM 119 SG CYS A 8 13.139 -0.167 6.774 1.00 10.00 S ATOM 0 H CYS A 8 12.146 -0.855 2.798 1.00 10.00 H new ATOM 0 HA CYS A 8 14.365 -1.151 4.567 1.00 10.00 H new ATOM 0 HB2 CYS A 8 11.946 0.062 4.700 1.00 10.00 H new ATOM 0 HB3 CYS A 8 11.542 -1.441 5.507 1.00 10.00 H new ATOM 124 N TYR A 9 12.320 -3.732 4.180 1.00 10.00 N ATOM 125 CA TYR A 9 12.188 -5.166 4.377 1.00 10.00 C ATOM 126 C TYR A 9 13.360 -5.923 3.780 1.00 10.00 C ATOM 127 O TYR A 9 13.983 -6.718 4.469 1.00 10.00 O ATOM 128 CB TYR A 9 10.905 -5.601 3.681 1.00 10.00 C ATOM 129 CG TYR A 9 10.417 -6.952 4.104 1.00 10.00 C ATOM 130 CD1 TYR A 9 10.931 -8.128 3.516 1.00 10.00 C ATOM 131 CD2 TYR A 9 9.419 -7.012 5.085 1.00 10.00 C ATOM 132 CE1 TYR A 9 10.403 -9.379 3.906 1.00 10.00 C ATOM 133 CE2 TYR A 9 8.900 -8.258 5.441 1.00 10.00 C ATOM 134 CZ TYR A 9 9.376 -9.435 4.881 1.00 10.00 C ATOM 135 OH TYR A 9 8.843 -10.586 5.356 1.00 10.00 O ATOM 0 H TYR A 9 11.572 -3.338 3.609 1.00 10.00 H new ATOM 0 HA TYR A 9 12.166 -5.385 5.445 1.00 10.00 H new ATOM 0 HB2 TYR A 9 10.127 -4.865 3.881 1.00 10.00 H new ATOM 0 HB3 TYR A 9 11.071 -5.606 2.604 1.00 10.00 H new ATOM 0 HD1 TYR A 9 11.717 -8.072 2.778 1.00 10.00 H new ATOM 0 HD2 TYR A 9 9.058 -6.111 5.557 1.00 10.00 H new ATOM 0 HE1 TYR A 9 10.780 -10.289 3.463 1.00 10.00 H new ATOM 0 HE2 TYR A 9 8.107 -8.307 6.172 1.00 10.00 H new ATOM 0 HH TYR A 9 8.153 -10.377 6.020 1.00 10.00 H new ATOM 145 N ASP A 10 13.671 -5.669 2.507 1.00 10.00 N ATOM 146 CA ASP A 10 14.780 -6.331 1.815 1.00 10.00 C ATOM 147 C ASP A 10 16.110 -6.003 2.495 1.00 10.00 C ATOM 148 O ASP A 10 16.897 -6.883 2.853 1.00 10.00 O ATOM 149 CB ASP A 10 14.833 -5.861 0.350 1.00 10.00 C ATOM 150 CG ASP A 10 15.419 -6.897 -0.603 1.00 10.00 C ATOM 151 OD1 ASP A 10 15.238 -8.105 -0.337 1.00 10.00 O ATOM 152 OD2 ASP A 10 15.996 -6.467 -1.623 1.00 10.00 O ATOM 0 H ASP A 10 13.163 -5.001 1.928 1.00 10.00 H new ATOM 0 HA ASP A 10 14.617 -7.408 1.853 1.00 10.00 H new ATOM 0 HB2 ASP A 10 13.825 -5.607 0.022 1.00 10.00 H new ATOM 0 HB3 ASP A 10 15.427 -4.949 0.291 1.00 10.00 H new ATOM 157 N THR A 11 16.340 -4.708 2.706 1.00 10.00 N ATOM 158 CA THR A 11 17.560 -4.195 3.323 1.00 10.00 C ATOM 159 C THR A 11 17.666 -4.648 4.768 1.00 10.00 C ATOM 160 O THR A 11 18.710 -5.171 5.153 1.00 10.00 O ATOM 161 CB THR A 11 17.628 -2.672 3.224 1.00 10.00 C ATOM 162 OG1 THR A 11 17.611 -2.323 1.861 1.00 10.00 O ATOM 163 CG2 THR A 11 18.902 -2.052 3.768 1.00 10.00 C ATOM 0 H THR A 11 15.676 -3.978 2.450 1.00 10.00 H new ATOM 0 HA THR A 11 18.409 -4.604 2.776 1.00 10.00 H new ATOM 0 HB THR A 11 16.786 -2.306 3.811 1.00 10.00 H new ATOM 0 HG1 THR A 11 16.690 -2.141 1.581 1.00 10.00 H new ATOM 0 HG21 THR A 11 18.857 -0.969 3.654 1.00 10.00 H new ATOM 0 HG22 THR A 11 19.006 -2.302 4.824 1.00 10.00 H new ATOM 0 HG23 THR A 11 19.759 -2.440 3.217 1.00 10.00 H new ATOM 171 N CYS A 12 16.578 -4.538 5.533 1.00 10.00 N ATOM 172 CA CYS A 12 16.490 -5.030 6.899 1.00 10.00 C ATOM 173 C CYS A 12 16.821 -6.505 6.893 1.00 10.00 C ATOM 174 O CYS A 12 17.693 -6.914 7.638 1.00 10.00 O ATOM 175 CB CYS A 12 15.124 -4.780 7.545 1.00 10.00 C ATOM 176 SG CYS A 12 15.093 -5.249 9.288 1.00 10.00 S ATOM 0 H CYS A 12 15.719 -4.094 5.208 1.00 10.00 H new ATOM 0 HA CYS A 12 17.205 -4.476 7.508 1.00 10.00 H new ATOM 0 HB2 CYS A 12 14.868 -3.725 7.451 1.00 10.00 H new ATOM 0 HB3 CYS A 12 14.362 -5.343 7.006 1.00 10.00 H new ATOM 0 HG CYS A 12 14.558 -4.291 9.986 1.00 10.00 H new ATOM 181 N HIS A 13 16.251 -7.299 5.976 1.00 10.00 N ATOM 182 CA HIS A 13 16.558 -8.722 5.837 1.00 10.00 C ATOM 183 C HIS A 13 18.047 -8.971 5.695 1.00 10.00 C ATOM 184 O HIS A 13 18.519 -9.975 6.205 1.00 10.00 O ATOM 185 CB HIS A 13 15.838 -9.341 4.644 1.00 10.00 C ATOM 186 CG HIS A 13 15.504 -10.784 4.857 1.00 10.00 C ATOM 187 ND1 HIS A 13 16.221 -11.833 4.333 1.00 10.00 N ATOM 188 CD2 HIS A 13 14.445 -11.280 5.570 1.00 10.00 C ATOM 189 CE1 HIS A 13 15.614 -12.959 4.736 1.00 10.00 C ATOM 190 NE2 HIS A 13 14.528 -12.655 5.486 1.00 10.00 N ATOM 0 H HIS A 13 15.558 -6.965 5.306 1.00 10.00 H new ATOM 0 HA HIS A 13 16.206 -9.195 6.754 1.00 10.00 H new ATOM 0 HB2 HIS A 13 14.921 -8.785 4.450 1.00 10.00 H new ATOM 0 HB3 HIS A 13 16.464 -9.244 3.757 1.00 10.00 H new ATOM 0 HD2 HIS A 13 13.694 -10.708 6.094 1.00 10.00 H new ATOM 0 HE1 HIS A 13 15.943 -13.960 4.498 1.00 10.00 H new ATOM 0 HE2 HIS A 13 13.886 -13.323 5.913 1.00 10.00 H new ATOM 199 N LYS A 14 18.767 -8.112 4.973 1.00 10.00 N ATOM 200 CA LYS A 14 20.227 -8.176 4.863 1.00 10.00 C ATOM 201 C LYS A 14 20.908 -8.111 6.224 1.00 10.00 C ATOM 202 O LYS A 14 21.416 -9.135 6.660 1.00 10.00 O ATOM 203 CB LYS A 14 20.723 -7.070 3.933 1.00 10.00 C ATOM 204 CG LYS A 14 21.988 -7.532 3.225 1.00 10.00 C ATOM 205 CD LYS A 14 22.392 -6.495 2.170 1.00 10.00 C ATOM 206 CE LYS A 14 22.057 -7.006 0.762 1.00 10.00 C ATOM 207 NZ LYS A 14 23.270 -7.037 -0.088 1.00 10.00 N ATOM 0 H LYS A 14 18.351 -7.346 4.443 1.00 10.00 H new ATOM 0 HA LYS A 14 20.495 -9.142 4.434 1.00 10.00 H new ATOM 0 HB2 LYS A 14 19.954 -6.823 3.201 1.00 10.00 H new ATOM 0 HB3 LYS A 14 20.923 -6.163 4.503 1.00 10.00 H new ATOM 0 HG2 LYS A 14 22.794 -7.665 3.947 1.00 10.00 H new ATOM 0 HG3 LYS A 14 21.820 -8.500 2.753 1.00 10.00 H new ATOM 0 HD2 LYS A 14 21.872 -5.556 2.356 1.00 10.00 H new ATOM 0 HD3 LYS A 14 23.460 -6.288 2.244 1.00 10.00 H new ATOM 0 HE2 LYS A 14 21.626 -8.005 0.826 1.00 10.00 H new ATOM 0 HE3 LYS A 14 21.304 -6.363 0.306 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 23.021 -7.386 -1.036 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 23.665 -6.078 -0.165 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 23.977 -7.669 0.339 1.00 10.00 H new ATOM 221 N GLU A 15 20.861 -6.962 6.899 1.00 10.00 N ATOM 222 CA GLU A 15 21.387 -6.812 8.269 1.00 10.00 C ATOM 223 C GLU A 15 20.705 -7.764 9.280 1.00 10.00 C ATOM 224 O GLU A 15 21.209 -8.065 10.355 1.00 10.00 O ATOM 225 CB GLU A 15 21.196 -5.363 8.735 1.00 10.00 C ATOM 226 CG GLU A 15 22.193 -5.007 9.850 1.00 10.00 C ATOM 227 CD GLU A 15 21.607 -3.970 10.821 1.00 10.00 C ATOM 228 OE1 GLU A 15 21.019 -2.988 10.312 1.00 10.00 O ATOM 229 OE2 GLU A 15 21.755 -4.151 12.052 1.00 10.00 O ATOM 0 H GLU A 15 20.459 -6.106 6.518 1.00 10.00 H new ATOM 0 HA GLU A 15 22.445 -7.073 8.236 1.00 10.00 H new ATOM 0 HB2 GLU A 15 21.331 -4.685 7.892 1.00 10.00 H new ATOM 0 HB3 GLU A 15 20.177 -5.225 9.096 1.00 10.00 H new ATOM 0 HG2 GLU A 15 22.463 -5.909 10.399 1.00 10.00 H new ATOM 0 HG3 GLU A 15 23.110 -4.616 9.408 1.00 10.00 H new ATOM 236 N CYS A 16 19.551 -8.313 8.919 1.00 10.00 N ATOM 237 CA CYS A 16 18.843 -9.274 9.729 1.00 10.00 C ATOM 238 C CYS A 16 19.479 -10.649 9.606 1.00 10.00 C ATOM 239 O CYS A 16 20.003 -11.193 10.566 1.00 10.00 O ATOM 240 CB CYS A 16 17.376 -9.356 9.342 1.00 10.00 C ATOM 241 SG CYS A 16 16.445 -10.390 10.495 1.00 10.00 S ATOM 0 H CYS A 16 19.081 -8.094 8.041 1.00 10.00 H new ATOM 0 HA CYS A 16 18.908 -8.937 10.764 1.00 10.00 H new ATOM 0 HB2 CYS A 16 16.947 -8.354 9.322 1.00 10.00 H new ATOM 0 HB3 CYS A 16 17.286 -9.761 8.334 1.00 10.00 H new ATOM 246 N SER A 17 19.385 -11.272 8.427 1.00 10.00 N ATOM 247 CA SER A 17 20.001 -12.567 8.128 1.00 10.00 C ATOM 248 C SER A 17 21.502 -12.544 8.413 1.00 10.00 C ATOM 249 O SER A 17 22.057 -13.609 8.664 1.00 10.00 O ATOM 250 CB SER A 17 19.832 -12.935 6.648 1.00 10.00 C ATOM 251 OG SER A 17 19.328 -14.242 6.439 1.00 10.00 O ATOM 0 H SER A 17 18.868 -10.882 7.639 1.00 10.00 H new ATOM 0 HA SER A 17 19.501 -13.297 8.764 1.00 10.00 H new ATOM 0 HB2 SER A 17 19.159 -12.217 6.179 1.00 10.00 H new ATOM 0 HB3 SER A 17 20.796 -12.843 6.148 1.00 10.00 H new ATOM 0 HG SER A 17 19.243 -14.410 5.477 1.00 10.00 H new ATOM 257 N ASP A 18 22.136 -11.361 8.405 1.00 10.00 N ATOM 258 CA ASP A 18 23.520 -11.140 8.855 1.00 10.00 C ATOM 259 C ASP A 18 23.753 -11.692 10.261 1.00 10.00 C ATOM 260 O ASP A 18 24.785 -12.313 10.518 1.00 10.00 O ATOM 261 CB ASP A 18 23.864 -9.642 8.848 1.00 10.00 C ATOM 262 CG ASP A 18 25.054 -9.299 9.768 1.00 10.00 C ATOM 263 OD1 ASP A 18 26.195 -9.588 9.347 1.00 10.00 O ATOM 264 OD2 ASP A 18 24.807 -8.779 10.879 1.00 10.00 O ATOM 0 H ASP A 18 21.687 -10.506 8.076 1.00 10.00 H new ATOM 0 HA ASP A 18 24.166 -11.671 8.156 1.00 10.00 H new ATOM 0 HB2 ASP A 18 24.097 -9.332 7.829 1.00 10.00 H new ATOM 0 HB3 ASP A 18 22.990 -9.071 9.163 1.00 10.00 H new ATOM 269 N LYS A 19 22.745 -11.594 11.142 1.00 10.00 N ATOM 270 CA LYS A 19 22.803 -12.190 12.469 1.00 10.00 C ATOM 271 C LYS A 19 22.997 -13.706 12.445 1.00 10.00 C ATOM 272 O LYS A 19 23.238 -14.309 13.493 1.00 10.00 O ATOM 273 CB LYS A 19 21.557 -11.770 13.273 1.00 10.00 C ATOM 274 CG LYS A 19 21.902 -10.703 14.314 1.00 10.00 C ATOM 275 CD LYS A 19 21.709 -11.258 15.725 1.00 10.00 C ATOM 276 CE LYS A 19 22.726 -10.630 16.672 1.00 10.00 C ATOM 277 NZ LYS A 19 22.493 -11.100 18.056 1.00 10.00 N ATOM 0 H LYS A 19 21.874 -11.100 10.948 1.00 10.00 H new ATOM 0 HA LYS A 19 23.693 -11.808 12.969 1.00 10.00 H new ATOM 0 HB2 LYS A 19 20.796 -11.386 12.594 1.00 10.00 H new ATOM 0 HB3 LYS A 19 21.131 -12.642 13.770 1.00 10.00 H new ATOM 0 HG2 LYS A 19 22.934 -10.376 14.182 1.00 10.00 H new ATOM 0 HG3 LYS A 19 21.269 -9.827 14.171 1.00 10.00 H new ATOM 0 HD2 LYS A 19 20.697 -11.049 16.073 1.00 10.00 H new ATOM 0 HD3 LYS A 19 21.826 -12.342 15.718 1.00 10.00 H new ATOM 0 HE2 LYS A 19 23.736 -10.890 16.357 1.00 10.00 H new ATOM 0 HE3 LYS A 19 22.649 -9.543 16.631 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 23.192 -10.666 18.692 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 21.535 -10.830 18.358 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 22.588 -12.135 18.092 1.00 10.00 H new ATOM 291 N GLY A 20 22.838 -14.306 11.264 1.00 10.00 N ATOM 292 CA GLY A 20 22.966 -15.730 11.008 1.00 10.00 C ATOM 293 C GLY A 20 21.681 -16.462 11.383 1.00 10.00 C ATOM 294 O GLY A 20 21.687 -17.669 11.606 1.00 10.00 O ATOM 0 H GLY A 20 22.605 -13.780 10.422 1.00 10.00 H new ATOM 0 HA2 GLY A 20 23.191 -15.897 9.955 1.00 10.00 H new ATOM 0 HA3 GLY A 20 23.801 -16.134 11.580 1.00 10.00 H new ATOM 298 N ASN A 21 20.572 -15.724 11.498 1.00 10.00 N ATOM 299 CA ASN A 21 19.272 -16.297 11.785 1.00 10.00 C ATOM 300 C ASN A 21 18.644 -16.943 10.545 1.00 10.00 C ATOM 301 O ASN A 21 19.138 -16.852 9.421 1.00 10.00 O ATOM 302 CB ASN A 21 18.367 -15.219 12.392 1.00 10.00 C ATOM 303 CG ASN A 21 18.257 -15.360 13.895 1.00 10.00 C ATOM 304 OD1 ASN A 21 18.028 -16.421 14.443 1.00 10.00 O ATOM 305 ND2 ASN A 21 18.330 -14.262 14.600 1.00 10.00 N ATOM 0 H ASN A 21 20.561 -14.710 11.393 1.00 10.00 H new ATOM 0 HA ASN A 21 19.395 -17.101 12.511 1.00 10.00 H new ATOM 0 HB2 ASN A 21 18.761 -14.233 12.147 1.00 10.00 H new ATOM 0 HB3 ASN A 21 17.374 -15.285 11.947 1.00 10.00 H new ATOM 0 HD21 ASN A 21 18.195 -14.295 15.610 1.00 10.00 H new ATOM 0 HD22 ASN A 21 18.522 -13.372 14.140 1.00 10.00 H new ATOM 312 N GLY A 22 17.468 -17.534 10.745 1.00 10.00 N ATOM 313 CA GLY A 22 16.689 -18.072 9.638 1.00 10.00 C ATOM 314 C GLY A 22 15.973 -16.982 8.862 1.00 10.00 C ATOM 315 O GLY A 22 15.525 -15.992 9.439 1.00 10.00 O ATOM 0 H GLY A 22 17.037 -17.651 11.662 1.00 10.00 H new ATOM 0 HA2 GLY A 22 17.347 -18.623 8.966 1.00 10.00 H new ATOM 0 HA3 GLY A 22 15.958 -18.783 10.022 1.00 10.00 H new ATOM 319 N PHE A 23 15.778 -17.226 7.564 1.00 10.00 N ATOM 320 CA PHE A 23 15.104 -16.318 6.642 1.00 10.00 C ATOM 321 C PHE A 23 13.734 -15.940 7.157 1.00 10.00 C ATOM 322 O PHE A 23 13.487 -14.755 7.314 1.00 10.00 O ATOM 323 CB PHE A 23 14.955 -16.996 5.276 1.00 10.00 C ATOM 324 CG PHE A 23 14.651 -16.053 4.130 1.00 10.00 C ATOM 325 CD1 PHE A 23 13.476 -15.268 4.109 1.00 10.00 C ATOM 326 CD2 PHE A 23 15.579 -15.952 3.077 1.00 10.00 C ATOM 327 CE1 PHE A 23 13.255 -14.378 3.044 1.00 10.00 C ATOM 328 CE2 PHE A 23 15.348 -15.058 2.016 1.00 10.00 C ATOM 329 CZ PHE A 23 14.189 -14.268 2.008 1.00 10.00 C ATOM 0 H PHE A 23 16.095 -18.086 7.116 1.00 10.00 H new ATOM 0 HA PHE A 23 15.705 -15.413 6.552 1.00 10.00 H new ATOM 0 HB2 PHE A 23 15.876 -17.535 5.051 1.00 10.00 H new ATOM 0 HB3 PHE A 23 14.159 -17.738 5.339 1.00 10.00 H new ATOM 0 HD1 PHE A 23 12.752 -15.352 4.906 1.00 10.00 H new ATOM 0 HD2 PHE A 23 16.470 -16.562 3.084 1.00 10.00 H new ATOM 0 HE1 PHE A 23 12.359 -13.775 3.025 1.00 10.00 H new ATOM 0 HE2 PHE A 23 16.062 -14.980 1.209 1.00 10.00 H new ATOM 0 HZ PHE A 23 14.017 -13.573 1.200 1.00 10.00 H new ATOM 339 N THR A 24 12.874 -16.934 7.396 1.00 10.00 N ATOM 340 CA THR A 24 11.503 -16.760 7.879 1.00 10.00 C ATOM 341 C THR A 24 11.462 -15.875 9.105 1.00 10.00 C ATOM 342 O THR A 24 10.788 -14.857 9.100 1.00 10.00 O ATOM 343 CB THR A 24 10.861 -18.123 8.182 1.00 10.00 C ATOM 344 OG1 THR A 24 10.115 -18.474 7.057 1.00 10.00 O ATOM 345 CG2 THR A 24 9.932 -18.151 9.402 1.00 10.00 C ATOM 0 H THR A 24 13.122 -17.913 7.254 1.00 10.00 H new ATOM 0 HA THR A 24 10.931 -16.271 7.091 1.00 10.00 H new ATOM 0 HB THR A 24 11.671 -18.814 8.415 1.00 10.00 H new ATOM 0 HG1 THR A 24 9.687 -19.343 7.206 1.00 10.00 H new ATOM 0 HG21 THR A 24 9.530 -19.156 9.530 1.00 10.00 H new ATOM 0 HG22 THR A 24 10.493 -17.868 10.293 1.00 10.00 H new ATOM 0 HG23 THR A 24 9.112 -17.449 9.251 1.00 10.00 H new ATOM 353 N PHE A 25 12.176 -16.267 10.159 1.00 10.00 N ATOM 354 CA PHE A 25 12.259 -15.484 11.379 1.00 10.00 C ATOM 355 C PHE A 25 12.699 -14.067 11.073 1.00 10.00 C ATOM 356 O PHE A 25 12.057 -13.129 11.520 1.00 10.00 O ATOM 357 CB PHE A 25 13.271 -16.151 12.298 1.00 10.00 C ATOM 358 CG PHE A 25 13.669 -15.292 13.480 1.00 10.00 C ATOM 359 CD1 PHE A 25 12.816 -15.190 14.591 1.00 10.00 C ATOM 360 CD2 PHE A 25 14.861 -14.548 13.434 1.00 10.00 C ATOM 361 CE1 PHE A 25 13.189 -14.394 15.691 1.00 10.00 C ATOM 362 CE2 PHE A 25 15.217 -13.733 14.522 1.00 10.00 C ATOM 363 CZ PHE A 25 14.399 -13.681 15.659 1.00 10.00 C ATOM 0 H PHE A 25 12.710 -17.135 10.186 1.00 10.00 H new ATOM 0 HA PHE A 25 11.280 -15.438 11.856 1.00 10.00 H new ATOM 0 HB2 PHE A 25 12.855 -17.089 12.664 1.00 10.00 H new ATOM 0 HB3 PHE A 25 14.163 -16.401 11.723 1.00 10.00 H new ATOM 0 HD1 PHE A 25 11.876 -15.721 14.602 1.00 10.00 H new ATOM 0 HD2 PHE A 25 15.501 -14.603 12.566 1.00 10.00 H new ATOM 0 HE1 PHE A 25 12.547 -14.332 16.557 1.00 10.00 H new ATOM 0 HE2 PHE A 25 16.122 -13.146 14.482 1.00 10.00 H new ATOM 0 HZ PHE A 25 14.700 -13.091 16.512 1.00 10.00 H new ATOM 373 N CYS A 26 13.750 -13.921 10.269 1.00 10.00 N ATOM 374 CA CYS A 26 14.205 -12.633 9.824 1.00 10.00 C ATOM 375 C CYS A 26 13.139 -11.874 9.071 1.00 10.00 C ATOM 376 O CYS A 26 13.067 -10.678 9.224 1.00 10.00 O ATOM 377 CB CYS A 26 15.451 -12.780 8.955 1.00 10.00 C ATOM 378 SG CYS A 26 16.874 -12.320 9.946 1.00 10.00 S ATOM 0 H CYS A 26 14.302 -14.702 9.915 1.00 10.00 H new ATOM 0 HA CYS A 26 14.448 -12.056 10.716 1.00 10.00 H new ATOM 0 HB2 CYS A 26 15.549 -13.806 8.600 1.00 10.00 H new ATOM 0 HB3 CYS A 26 15.378 -12.143 8.073 1.00 10.00 H new ATOM 383 N GLU A 27 12.320 -12.553 8.284 1.00 10.00 N ATOM 384 CA GLU A 27 11.194 -12.005 7.553 1.00 10.00 C ATOM 385 C GLU A 27 10.118 -11.533 8.500 1.00 10.00 C ATOM 386 O GLU A 27 9.996 -10.332 8.643 1.00 10.00 O ATOM 387 CB GLU A 27 10.605 -13.049 6.593 1.00 10.00 C ATOM 388 CG GLU A 27 10.843 -12.640 5.154 1.00 10.00 C ATOM 389 CD GLU A 27 9.703 -13.067 4.193 1.00 10.00 C ATOM 390 OE1 GLU A 27 8.561 -13.336 4.637 1.00 10.00 O ATOM 391 OE2 GLU A 27 10.035 -13.191 2.995 1.00 10.00 O ATOM 0 H GLU A 27 12.431 -13.555 8.131 1.00 10.00 H new ATOM 0 HA GLU A 27 11.559 -11.156 6.975 1.00 10.00 H new ATOM 0 HB2 GLU A 27 11.060 -14.022 6.781 1.00 10.00 H new ATOM 0 HB3 GLU A 27 9.536 -13.156 6.775 1.00 10.00 H new ATOM 0 HG2 GLU A 27 10.961 -11.557 5.107 1.00 10.00 H new ATOM 0 HG3 GLU A 27 11.780 -13.078 4.810 1.00 10.00 H new ATOM 398 N MET A 28 9.426 -12.431 9.211 1.00 10.00 N ATOM 399 CA MET A 28 8.383 -12.088 10.184 1.00 10.00 C ATOM 400 C MET A 28 8.825 -10.987 11.152 1.00 10.00 C ATOM 401 O MET A 28 8.006 -10.234 11.680 1.00 10.00 O ATOM 402 CB MET A 28 8.048 -13.334 11.012 1.00 10.00 C ATOM 403 CG MET A 28 6.943 -14.162 10.378 1.00 10.00 C ATOM 404 SD MET A 28 6.619 -15.676 11.320 1.00 10.00 S ATOM 405 CE MET A 28 4.817 -15.735 11.177 1.00 10.00 C ATOM 0 H MET A 28 9.579 -13.436 9.124 1.00 10.00 H new ATOM 0 HA MET A 28 7.521 -11.727 9.623 1.00 10.00 H new ATOM 0 HB2 MET A 28 8.942 -13.947 11.121 1.00 10.00 H new ATOM 0 HB3 MET A 28 7.744 -13.032 12.014 1.00 10.00 H new ATOM 0 HG2 MET A 28 6.031 -13.568 10.318 1.00 10.00 H new ATOM 0 HG3 MET A 28 7.222 -14.421 9.357 1.00 10.00 H new ATOM 0 HE1 MET A 28 4.439 -16.611 11.703 1.00 10.00 H new ATOM 0 HE2 MET A 28 4.387 -14.835 11.616 1.00 10.00 H new ATOM 0 HE3 MET A 28 4.537 -15.795 10.125 1.00 10.00 H new ATOM 415 N LYS A 29 10.133 -10.924 11.424 1.00 10.00 N ATOM 416 CA LYS A 29 10.737 -9.874 12.217 1.00 10.00 C ATOM 417 C LYS A 29 10.917 -8.597 11.433 1.00 10.00 C ATOM 418 O LYS A 29 10.278 -7.645 11.832 1.00 10.00 O ATOM 419 CB LYS A 29 12.059 -10.326 12.813 1.00 10.00 C ATOM 420 CG LYS A 29 12.301 -9.573 14.122 1.00 10.00 C ATOM 421 CD LYS A 29 11.978 -10.491 15.317 1.00 10.00 C ATOM 422 CE LYS A 29 11.150 -9.762 16.371 1.00 10.00 C ATOM 423 NZ LYS A 29 11.987 -8.806 17.135 1.00 10.00 N ATOM 0 H LYS A 29 10.803 -11.617 11.089 1.00 10.00 H new ATOM 0 HA LYS A 29 10.046 -9.661 13.032 1.00 10.00 H new ATOM 0 HB2 LYS A 29 12.042 -11.401 12.995 1.00 10.00 H new ATOM 0 HB3 LYS A 29 12.872 -10.134 12.113 1.00 10.00 H new ATOM 0 HG2 LYS A 29 13.338 -9.242 14.176 1.00 10.00 H new ATOM 0 HG3 LYS A 29 11.678 -8.679 14.159 1.00 10.00 H new ATOM 0 HD2 LYS A 29 11.434 -11.368 14.967 1.00 10.00 H new ATOM 0 HD3 LYS A 29 12.905 -10.849 15.764 1.00 10.00 H new ATOM 0 HE2 LYS A 29 10.330 -9.229 15.890 1.00 10.00 H new ATOM 0 HE3 LYS A 29 10.704 -10.486 17.053 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 11.401 -8.323 17.846 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 12.755 -9.321 17.611 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 12.393 -8.103 16.485 1.00 10.00 H new ATOM 437 N CYS A 30 11.742 -8.574 10.386 1.00 10.00 N ATOM 438 CA CYS A 30 11.929 -7.445 9.472 1.00 10.00 C ATOM 439 C CYS A 30 10.596 -6.843 8.993 1.00 10.00 C ATOM 440 O CYS A 30 10.510 -5.651 8.715 1.00 10.00 O ATOM 441 CB CYS A 30 12.707 -7.912 8.233 1.00 10.00 C ATOM 442 SG CYS A 30 14.457 -8.245 8.471 1.00 10.00 S ATOM 0 H CYS A 30 12.323 -9.375 10.141 1.00 10.00 H new ATOM 0 HA CYS A 30 12.474 -6.680 10.025 1.00 10.00 H new ATOM 0 HB2 CYS A 30 12.235 -8.818 7.854 1.00 10.00 H new ATOM 0 HB3 CYS A 30 12.606 -7.152 7.459 1.00 10.00 H new ATOM 0 HG CYS A 30 15.072 -7.140 8.773 1.00 10.00 H new ATOM 447 N ASP A 31 9.558 -7.676 8.920 1.00 10.00 N ATOM 448 CA ASP A 31 8.189 -7.287 8.601 1.00 10.00 C ATOM 449 C ASP A 31 7.653 -6.307 9.636 1.00 10.00 C ATOM 450 O ASP A 31 7.349 -5.148 9.365 1.00 10.00 O ATOM 451 CB ASP A 31 7.269 -8.534 8.555 1.00 10.00 C ATOM 452 CG ASP A 31 6.064 -8.365 7.623 1.00 10.00 C ATOM 453 OD1 ASP A 31 6.036 -7.403 6.821 1.00 10.00 O ATOM 454 OD2 ASP A 31 5.215 -9.280 7.664 1.00 10.00 O ATOM 0 H ASP A 31 9.654 -8.677 9.088 1.00 10.00 H new ATOM 0 HA ASP A 31 8.197 -6.806 7.623 1.00 10.00 H new ATOM 0 HB2 ASP A 31 7.853 -9.395 8.230 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.913 -8.751 9.562 1.00 10.00 H new ATOM 459 N THR A 32 7.577 -6.785 10.874 1.00 10.00 N ATOM 460 CA THR A 32 7.127 -5.952 11.982 1.00 10.00 C ATOM 461 C THR A 32 8.160 -4.884 12.339 1.00 10.00 C ATOM 462 O THR A 32 7.777 -3.870 12.911 1.00 10.00 O ATOM 463 CB THR A 32 6.768 -6.847 13.174 1.00 10.00 C ATOM 464 OG1 THR A 32 5.423 -7.249 13.022 1.00 10.00 O ATOM 465 CG2 THR A 32 6.842 -6.180 14.547 1.00 10.00 C ATOM 0 H THR A 32 7.820 -7.741 11.134 1.00 10.00 H new ATOM 0 HA THR A 32 6.231 -5.407 11.683 1.00 10.00 H new ATOM 0 HB THR A 32 7.502 -7.653 13.159 1.00 10.00 H new ATOM 0 HG1 THR A 32 5.167 -7.825 13.772 1.00 10.00 H new ATOM 0 HG21 THR A 32 6.569 -6.901 15.317 1.00 10.00 H new ATOM 0 HG22 THR A 32 7.857 -5.826 14.725 1.00 10.00 H new ATOM 0 HG23 THR A 32 6.153 -5.336 14.579 1.00 10.00 H new ATOM 473 N ASP A 33 9.444 -5.114 12.039 1.00 10.00 N ATOM 474 CA ASP A 33 10.553 -4.200 12.290 1.00 10.00 C ATOM 475 C ASP A 33 10.250 -2.841 11.657 1.00 10.00 C ATOM 476 O ASP A 33 9.904 -1.874 12.339 1.00 10.00 O ATOM 477 CB ASP A 33 11.866 -4.769 11.729 1.00 10.00 C ATOM 478 CG ASP A 33 12.986 -3.739 11.840 1.00 10.00 C ATOM 479 OD1 ASP A 33 13.344 -3.432 12.998 1.00 10.00 O ATOM 480 OD2 ASP A 33 13.422 -3.252 10.774 1.00 10.00 O ATOM 0 H ASP A 33 9.746 -5.981 11.596 1.00 10.00 H new ATOM 0 HA ASP A 33 10.671 -4.078 13.367 1.00 10.00 H new ATOM 0 HB2 ASP A 33 12.140 -5.673 12.274 1.00 10.00 H new ATOM 0 HB3 ASP A 33 11.729 -5.055 10.686 1.00 10.00 H new ATOM 485 N CYS A 34 10.341 -2.793 10.328 1.00 10.00 N ATOM 486 CA CYS A 34 10.064 -1.584 9.588 1.00 10.00 C ATOM 487 C CYS A 34 8.584 -1.570 9.248 1.00 10.00 C ATOM 488 O CYS A 34 8.181 -2.142 8.247 1.00 10.00 O ATOM 489 CB CYS A 34 10.948 -1.503 8.339 1.00 10.00 C ATOM 490 SG CYS A 34 11.568 0.167 8.013 1.00 10.00 S ATOM 0 H CYS A 34 10.607 -3.589 9.748 1.00 10.00 H new ATOM 0 HA CYS A 34 10.298 -0.703 10.186 1.00 10.00 H new ATOM 0 HB2 CYS A 34 11.793 -2.181 8.455 1.00 10.00 H new ATOM 0 HB3 CYS A 34 10.379 -1.848 7.476 1.00 10.00 H new ATOM 495 N SER A 35 7.770 -0.912 10.066 1.00 10.00 N ATOM 496 CA SER A 35 6.324 -0.824 9.864 1.00 10.00 C ATOM 497 C SER A 35 5.802 0.430 10.541 1.00 10.00 C ATOM 498 O SER A 35 6.000 0.658 11.733 1.00 10.00 O ATOM 499 CB SER A 35 5.594 -2.054 10.427 1.00 10.00 C ATOM 500 OG SER A 35 5.494 -3.118 9.501 1.00 10.00 O ATOM 0 H SER A 35 8.096 -0.419 10.897 1.00 10.00 H new ATOM 0 HA SER A 35 6.132 -0.786 8.792 1.00 10.00 H new ATOM 0 HB2 SER A 35 6.119 -2.404 11.316 1.00 10.00 H new ATOM 0 HB3 SER A 35 4.593 -1.761 10.742 1.00 10.00 H new ATOM 0 HG SER A 35 6.253 -3.727 9.619 1.00 10.00 H new ATOM 506 N VAL A 36 5.188 1.300 9.741 1.00 10.00 N ATOM 507 CA VAL A 36 4.610 2.548 10.202 1.00 10.00 C ATOM 508 C VAL A 36 3.303 2.267 10.943 1.00 10.00 C ATOM 509 O VAL A 36 2.896 1.125 11.147 1.00 10.00 O ATOM 510 CB VAL A 36 4.459 3.565 9.051 1.00 10.00 C ATOM 511 CG1 VAL A 36 4.522 5.010 9.593 1.00 10.00 C ATOM 512 CG2 VAL A 36 5.526 3.361 7.956 1.00 10.00 C ATOM 0 H VAL A 36 5.080 1.149 8.738 1.00 10.00 H new ATOM 0 HA VAL A 36 5.290 3.020 10.911 1.00 10.00 H new ATOM 0 HB VAL A 36 3.483 3.395 8.596 1.00 10.00 H new ATOM 0 HG11 VAL A 36 4.414 5.713 8.767 1.00 10.00 H new ATOM 0 HG12 VAL A 36 3.716 5.165 10.310 1.00 10.00 H new ATOM 0 HG13 VAL A 36 5.481 5.173 10.085 1.00 10.00 H new ATOM 0 HG21 VAL A 36 5.382 4.098 7.166 1.00 10.00 H new ATOM 0 HG22 VAL A 36 6.519 3.482 8.389 1.00 10.00 H new ATOM 0 HG23 VAL A 36 5.432 2.359 7.539 1.00 10.00 H new ATOM 522 N LYS A 37 2.635 3.326 11.378 1.00 10.00 N ATOM 523 CA LYS A 37 1.324 3.190 12.004 1.00 10.00 C ATOM 524 C LYS A 37 0.210 3.156 10.955 1.00 10.00 C ATOM 525 O LYS A 37 0.469 3.224 9.761 1.00 10.00 O ATOM 526 CB LYS A 37 1.171 4.300 13.040 1.00 10.00 C ATOM 527 CG LYS A 37 0.317 3.819 14.223 1.00 10.00 C ATOM 528 CD LYS A 37 -0.849 4.772 14.491 1.00 10.00 C ATOM 529 CE LYS A 37 -1.216 4.776 15.972 1.00 10.00 C ATOM 530 NZ LYS A 37 -0.527 5.890 16.670 1.00 10.00 N ATOM 0 H LYS A 37 2.976 4.285 11.310 1.00 10.00 H new ATOM 0 HA LYS A 37 1.240 2.236 12.524 1.00 10.00 H new ATOM 0 HB2 LYS A 37 2.153 4.611 13.396 1.00 10.00 H new ATOM 0 HB3 LYS A 37 0.707 5.173 12.580 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -0.067 2.821 14.015 1.00 10.00 H new ATOM 0 HG3 LYS A 37 0.938 3.742 15.115 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -0.580 5.780 14.176 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -1.713 4.472 13.898 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -2.295 4.878 16.086 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -0.936 3.825 16.426 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -0.786 5.881 17.677 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 0.502 5.775 16.576 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -0.814 6.795 16.247 1.00 10.00 H new ATOM 544 N ASP A 38 -1.030 3.106 11.421 1.00 10.00 N ATOM 545 CA ASP A 38 -2.224 3.149 10.583 1.00 10.00 C ATOM 546 C ASP A 38 -2.914 4.498 10.730 1.00 10.00 C ATOM 547 O ASP A 38 -2.720 5.199 11.731 1.00 10.00 O ATOM 548 CB ASP A 38 -3.200 2.076 11.068 1.00 10.00 C ATOM 549 CG ASP A 38 -4.068 1.552 9.930 1.00 10.00 C ATOM 550 OD1 ASP A 38 -3.476 1.061 8.949 1.00 10.00 O ATOM 551 OD2 ASP A 38 -5.306 1.687 10.055 1.00 10.00 O ATOM 0 H ASP A 38 -1.241 3.033 12.416 1.00 10.00 H new ATOM 0 HA ASP A 38 -1.937 2.986 9.544 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -2.643 1.251 11.512 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -3.836 2.489 11.851 1.00 10.00 H new ATOM 556 N VAL A 39 -3.775 4.822 9.775 1.00 10.00 N ATOM 557 CA VAL A 39 -4.533 6.067 9.729 1.00 10.00 C ATOM 558 C VAL A 39 -5.777 5.778 8.904 1.00 10.00 C ATOM 559 O VAL A 39 -5.739 5.820 7.678 1.00 10.00 O ATOM 560 CB VAL A 39 -3.668 7.207 9.139 1.00 10.00 C ATOM 561 CG1 VAL A 39 -4.501 8.415 8.699 1.00 10.00 C ATOM 562 CG2 VAL A 39 -2.642 7.693 10.180 1.00 10.00 C ATOM 0 H VAL A 39 -3.972 4.207 8.986 1.00 10.00 H new ATOM 0 HA VAL A 39 -4.823 6.409 10.722 1.00 10.00 H new ATOM 0 HB VAL A 39 -3.171 6.789 8.263 1.00 10.00 H new ATOM 0 HG11 VAL A 39 -3.842 9.183 8.294 1.00 10.00 H new ATOM 0 HG12 VAL A 39 -5.213 8.107 7.934 1.00 10.00 H new ATOM 0 HG13 VAL A 39 -5.041 8.816 9.556 1.00 10.00 H new ATOM 0 HG21 VAL A 39 -2.041 8.495 9.751 1.00 10.00 H new ATOM 0 HG22 VAL A 39 -3.166 8.064 11.061 1.00 10.00 H new ATOM 0 HG23 VAL A 39 -1.993 6.865 10.465 1.00 10.00 H new ATOM 572 N LYS A 40 -6.863 5.388 9.582 1.00 10.00 N ATOM 573 CA LYS A 40 -8.156 5.123 8.943 1.00 10.00 C ATOM 574 C LYS A 40 -8.499 6.265 7.990 1.00 10.00 C ATOM 575 O LYS A 40 -8.428 7.428 8.369 1.00 10.00 O ATOM 576 CB LYS A 40 -9.247 4.947 10.007 1.00 10.00 C ATOM 577 CG LYS A 40 -8.994 3.678 10.835 1.00 10.00 C ATOM 578 CD LYS A 40 -9.885 3.646 12.083 1.00 10.00 C ATOM 579 CE LYS A 40 -10.956 2.560 11.973 1.00 10.00 C ATOM 580 NZ LYS A 40 -10.571 1.358 12.751 1.00 10.00 N ATOM 0 H LYS A 40 -6.869 5.247 10.592 1.00 10.00 H new ATOM 0 HA LYS A 40 -8.094 4.198 8.369 1.00 10.00 H new ATOM 0 HB2 LYS A 40 -9.267 5.818 10.663 1.00 10.00 H new ATOM 0 HB3 LYS A 40 -10.224 4.886 9.527 1.00 10.00 H new ATOM 0 HG2 LYS A 40 -9.187 2.797 10.224 1.00 10.00 H new ATOM 0 HG3 LYS A 40 -7.946 3.636 11.132 1.00 10.00 H new ATOM 0 HD2 LYS A 40 -9.272 3.467 12.966 1.00 10.00 H new ATOM 0 HD3 LYS A 40 -10.361 4.617 12.218 1.00 10.00 H new ATOM 0 HE2 LYS A 40 -11.909 2.945 12.337 1.00 10.00 H new ATOM 0 HE3 LYS A 40 -11.100 2.290 10.927 1.00 10.00 H new ATOM 0 HZ1 LYS A 40 -11.313 0.634 12.662 1.00 10.00 H new ATOM 0 HZ2 LYS A 40 -9.673 0.981 12.386 1.00 10.00 H new ATOM 0 HZ3 LYS A 40 -10.457 1.615 13.752 1.00 10.00 H new ATOM 594 N GLU A 41 -8.952 5.923 6.792 1.00 10.00 N ATOM 595 CA GLU A 41 -9.288 6.902 5.744 1.00 10.00 C ATOM 596 C GLU A 41 -10.753 7.336 5.883 1.00 10.00 C ATOM 597 O GLU A 41 -11.515 7.478 4.926 1.00 10.00 O ATOM 598 CB GLU A 41 -8.961 6.301 4.367 1.00 10.00 C ATOM 599 CG GLU A 41 -7.564 6.736 3.908 1.00 10.00 C ATOM 600 CD GLU A 41 -7.554 8.214 3.471 1.00 10.00 C ATOM 601 OE1 GLU A 41 -8.419 8.586 2.645 1.00 10.00 O ATOM 602 OE2 GLU A 41 -6.712 8.977 3.994 1.00 10.00 O ATOM 0 H GLU A 41 -9.101 4.954 6.509 1.00 10.00 H new ATOM 0 HA GLU A 41 -8.687 7.805 5.853 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -9.011 5.213 4.417 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -9.706 6.621 3.638 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -6.850 6.589 4.719 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.239 6.107 3.079 1.00 10.00 H new ATOM 609 N LYS A 42 -11.212 7.449 7.127 1.00 10.00 N ATOM 610 CA LYS A 42 -12.565 7.877 7.416 1.00 10.00 C ATOM 611 C LYS A 42 -12.599 8.621 8.738 1.00 10.00 C ATOM 612 O LYS A 42 -11.569 8.846 9.360 1.00 10.00 O ATOM 613 CB LYS A 42 -13.489 6.647 7.368 1.00 10.00 C ATOM 614 CG LYS A 42 -14.818 7.011 6.686 1.00 10.00 C ATOM 615 CD LYS A 42 -16.018 6.672 7.572 1.00 10.00 C ATOM 616 CE LYS A 42 -17.157 7.660 7.311 1.00 10.00 C ATOM 617 NZ LYS A 42 -18.468 7.006 7.499 1.00 10.00 N ATOM 0 H LYS A 42 -10.653 7.246 7.956 1.00 10.00 H new ATOM 0 HA LYS A 42 -12.929 8.582 6.669 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -13.002 5.838 6.824 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -13.677 6.284 8.378 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -14.828 8.075 6.452 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -14.901 6.476 5.740 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -16.354 5.655 7.370 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -15.727 6.709 8.622 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -17.069 8.511 7.987 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -17.082 8.050 6.296 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -19.228 7.693 7.317 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -18.556 6.209 6.837 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -18.544 6.655 8.475 1.00 10.00 H new ATOM 631 N LEU A 43 -13.794 8.993 9.164 1.00 10.00 N ATOM 632 CA LEU A 43 -14.023 9.669 10.423 1.00 10.00 C ATOM 633 C LEU A 43 -15.514 9.586 10.759 1.00 10.00 C ATOM 634 O LEU A 43 -16.358 9.377 9.878 1.00 10.00 O ATOM 635 CB LEU A 43 -13.437 11.098 10.289 1.00 10.00 C ATOM 636 CG LEU A 43 -14.239 12.219 10.956 1.00 10.00 C ATOM 637 CD1 LEU A 43 -14.078 12.180 12.491 1.00 10.00 C ATOM 638 CD2 LEU A 43 -13.828 13.577 10.404 1.00 10.00 C ATOM 0 H LEU A 43 -14.648 8.829 8.631 1.00 10.00 H new ATOM 0 HA LEU A 43 -13.519 9.208 11.272 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -12.432 11.098 10.710 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -13.338 11.331 9.229 1.00 10.00 H new ATOM 0 HG LEU A 43 -15.293 12.061 10.726 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -14.658 12.987 12.938 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -14.436 11.223 12.870 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -13.026 12.303 12.750 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -14.410 14.359 10.891 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -12.768 13.742 10.595 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -14.012 13.604 9.330 1.00 10.00 H new ATOM 650 N GLU A 44 -15.833 9.723 12.037 1.00 10.00 N ATOM 651 CA GLU A 44 -17.205 9.812 12.518 1.00 10.00 C ATOM 652 C GLU A 44 -17.846 11.186 12.276 1.00 10.00 C ATOM 653 O GLU A 44 -17.207 12.186 11.965 1.00 10.00 O ATOM 654 CB GLU A 44 -17.254 9.434 14.003 1.00 10.00 C ATOM 655 CG GLU A 44 -16.866 7.956 14.196 1.00 10.00 C ATOM 656 CD GLU A 44 -15.348 7.726 14.302 1.00 10.00 C ATOM 657 OE1 GLU A 44 -14.634 8.626 14.796 1.00 10.00 O ATOM 658 OE2 GLU A 44 -14.903 6.662 13.814 1.00 10.00 O ATOM 0 H GLU A 44 -15.137 9.776 12.780 1.00 10.00 H new ATOM 0 HA GLU A 44 -17.798 9.104 11.939 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -16.575 10.071 14.569 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -18.256 9.607 14.396 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -17.346 7.578 15.099 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -17.256 7.375 13.360 1.00 10.00 H new ATOM 665 N ASN A 45 -19.161 11.248 12.418 1.00 10.00 N ATOM 666 CA ASN A 45 -19.889 12.504 12.323 1.00 10.00 C ATOM 667 C ASN A 45 -20.282 13.009 13.715 1.00 10.00 C ATOM 668 O ASN A 45 -19.908 12.471 14.751 1.00 10.00 O ATOM 669 CB ASN A 45 -21.104 12.288 11.419 1.00 10.00 C ATOM 670 CG ASN A 45 -22.206 11.562 12.165 1.00 10.00 C ATOM 671 OD1 ASN A 45 -22.119 10.393 12.485 1.00 10.00 O ATOM 672 ND2 ASN A 45 -23.260 12.267 12.504 1.00 10.00 N ATOM 0 H ASN A 45 -19.750 10.436 12.601 1.00 10.00 H new ATOM 0 HA ASN A 45 -19.258 13.277 11.884 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -21.473 13.249 11.061 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -20.812 11.712 10.541 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -24.013 11.834 13.039 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -23.327 13.248 12.232 1.00 10.00 H new ATOM 679 N TYR A 46 -21.093 14.055 13.719 1.00 10.00 N ATOM 680 CA TYR A 46 -21.583 14.689 14.920 1.00 10.00 C ATOM 681 C TYR A 46 -22.983 15.232 14.669 1.00 10.00 C ATOM 682 O TYR A 46 -23.316 15.633 13.553 1.00 10.00 O ATOM 683 CB TYR A 46 -20.598 15.802 15.284 1.00 10.00 C ATOM 684 CG TYR A 46 -20.466 16.898 14.230 1.00 10.00 C ATOM 685 CD1 TYR A 46 -19.887 16.626 12.969 1.00 10.00 C ATOM 686 CD2 TYR A 46 -20.944 18.192 14.508 1.00 10.00 C ATOM 687 CE1 TYR A 46 -19.821 17.622 11.981 1.00 10.00 C ATOM 688 CE2 TYR A 46 -20.845 19.206 13.531 1.00 10.00 C ATOM 689 CZ TYR A 46 -20.289 18.915 12.266 1.00 10.00 C ATOM 690 OH TYR A 46 -20.130 19.886 11.331 1.00 10.00 O ATOM 0 H TYR A 46 -21.434 14.493 12.863 1.00 10.00 H new ATOM 0 HA TYR A 46 -21.652 13.985 15.749 1.00 10.00 H new ATOM 0 HB2 TYR A 46 -20.912 16.255 16.224 1.00 10.00 H new ATOM 0 HB3 TYR A 46 -19.617 15.360 15.456 1.00 10.00 H new ATOM 0 HD1 TYR A 46 -19.491 15.642 12.763 1.00 10.00 H new ATOM 0 HD2 TYR A 46 -21.387 18.409 15.469 1.00 10.00 H new ATOM 0 HE1 TYR A 46 -19.413 17.395 11.007 1.00 10.00 H new ATOM 0 HE2 TYR A 46 -21.194 20.204 13.751 1.00 10.00 H new ATOM 0 HH TYR A 46 -20.503 20.728 11.667 1.00 10.00 H new ATOM 700 N LYS A 47 -23.813 15.224 15.712 1.00 10.00 N ATOM 701 CA LYS A 47 -25.174 15.757 15.662 1.00 10.00 C ATOM 702 C LYS A 47 -25.360 16.791 16.774 1.00 10.00 C ATOM 703 O LYS A 47 -25.770 16.429 17.876 1.00 10.00 O ATOM 704 CB LYS A 47 -26.197 14.605 15.641 1.00 10.00 C ATOM 705 CG LYS A 47 -27.119 14.762 14.423 1.00 10.00 C ATOM 706 CD LYS A 47 -28.181 15.847 14.667 1.00 10.00 C ATOM 707 CE LYS A 47 -29.424 15.233 15.323 1.00 10.00 C ATOM 708 NZ LYS A 47 -30.524 15.103 14.338 1.00 10.00 N ATOM 0 H LYS A 47 -23.557 14.844 16.623 1.00 10.00 H new ATOM 0 HA LYS A 47 -25.354 16.299 14.734 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -25.680 13.646 15.598 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -26.785 14.610 16.559 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -26.526 15.020 13.545 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -27.608 13.812 14.209 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -27.772 16.629 15.307 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -28.454 16.318 13.723 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -29.179 14.254 15.734 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -29.747 15.856 16.157 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -31.357 14.686 14.801 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -30.769 16.043 13.966 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -30.219 14.490 13.556 1.00 10.00 H new ATOM 722 N PRO A 48 -24.983 18.055 16.520 1.00 10.00 N ATOM 723 CA PRO A 48 -25.133 19.110 17.502 1.00 10.00 C ATOM 724 C PRO A 48 -26.609 19.445 17.690 1.00 10.00 C ATOM 725 O PRO A 48 -27.428 19.239 16.793 1.00 10.00 O ATOM 726 CB PRO A 48 -24.318 20.289 16.974 1.00 10.00 C ATOM 727 CG PRO A 48 -24.112 20.027 15.480 1.00 10.00 C ATOM 728 CD PRO A 48 -24.502 18.572 15.250 1.00 10.00 C ATOM 0 HA PRO A 48 -24.771 18.821 18.489 1.00 10.00 H new ATOM 0 HB2 PRO A 48 -24.844 21.230 17.136 1.00 10.00 H new ATOM 0 HB3 PRO A 48 -23.362 20.365 17.492 1.00 10.00 H new ATOM 0 HG2 PRO A 48 -24.728 20.696 14.878 1.00 10.00 H new ATOM 0 HG3 PRO A 48 -23.075 20.203 15.192 1.00 10.00 H new ATOM 0 HD2 PRO A 48 -25.275 18.496 14.485 1.00 10.00 H new ATOM 0 HD3 PRO A 48 -23.647 17.995 14.898 1.00 10.00 H new ATOM 736 N LYS A 49 -26.944 19.893 18.903 1.00 10.00 N ATOM 737 CA LYS A 49 -28.306 20.290 19.248 1.00 10.00 C ATOM 738 C LYS A 49 -28.739 21.506 18.425 1.00 10.00 C ATOM 739 O LYS A 49 -29.602 21.362 17.568 1.00 10.00 O ATOM 740 CB LYS A 49 -28.434 20.490 20.767 1.00 10.00 C ATOM 741 CG LYS A 49 -29.918 20.530 21.177 1.00 10.00 C ATOM 742 CD LYS A 49 -30.427 21.965 21.394 1.00 10.00 C ATOM 743 CE LYS A 49 -30.759 22.204 22.871 1.00 10.00 C ATOM 744 NZ LYS A 49 -30.360 23.567 23.297 1.00 10.00 N ATOM 0 H LYS A 49 -26.278 19.989 19.670 1.00 10.00 H new ATOM 0 HA LYS A 49 -29.000 19.491 18.986 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -27.926 19.680 21.291 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -27.943 21.418 21.061 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -30.518 20.047 20.406 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -30.055 19.956 22.094 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -29.671 22.678 21.066 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -31.314 22.138 20.784 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -31.828 22.068 23.033 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -30.247 21.464 23.486 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -30.597 23.700 24.301 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -29.335 23.686 23.164 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -30.868 24.272 22.725 1.00 10.00 H new ATOM 758 N ASN A 50 -28.216 22.681 18.788 1.00 10.00 N ATOM 759 CA ASN A 50 -28.406 23.942 18.064 1.00 10.00 C ATOM 760 C ASN A 50 -27.240 24.202 17.084 1.00 10.00 C ATOM 761 O ASN A 50 -26.729 23.194 16.550 1.00 10.00 O ATOM 762 CB ASN A 50 -28.636 25.074 19.099 1.00 10.00 C ATOM 763 CG ASN A 50 -29.858 25.909 18.760 1.00 10.00 C ATOM 764 OD1 ASN A 50 -30.021 26.540 17.740 1.00 10.00 O ATOM 765 ND2 ASN A 50 -30.807 25.920 19.658 1.00 10.00 N ATOM 766 OXT ASN A 50 -26.819 25.370 16.974 1.00 10.00 O ATOM 0 H ASN A 50 -27.632 22.784 19.618 1.00 10.00 H new ATOM 0 HA ASN A 50 -29.292 23.896 17.430 1.00 10.00 H new ATOM 0 HB2 ASN A 50 -28.756 24.640 20.092 1.00 10.00 H new ATOM 0 HB3 ASN A 50 -27.756 25.716 19.137 1.00 10.00 H new ATOM 0 HD21 ASN A 50 -31.661 26.452 19.491 1.00 10.00 H new ATOM 0 HD22 ASN A 50 -30.694 25.396 20.526 1.00 10.00 H new TER 773 ASN A 50