USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 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 13 TYR OH : rot 180:sc= 1.01 USER MOD Set 1.2: A 23 TYR OH : rot 161:sc= 1.32 USER MOD Set 2.1: A 3 GLN : amide:sc= 1.77 K(o=3.6,f=2.5) USER MOD Set 2.2: A 60 GLN : amide:sc= 1.82 K(o=3.6,f=2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 1.24 (180deg=1.08) USER MOD Single : A 4 LYS NZ :NH3+ -176:sc= 2.33 (180deg=2.15) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= 1.14 (180deg=0.912) USER MOD Single : A 14 LYS NZ :NH3+ -147:sc= 1.14 (180deg=0.948) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= 0.102 (180deg=0.0131) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= 1.17 (180deg=0.881) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 106:sc= 1.29 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= 1.02 (180deg=0.846) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.1) USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= 1.16 (180deg=0.98) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.15) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.123 K(o=0.12,f=-4.9!) USER MOD Single : A 65 GLN : amide:sc= 0.0942 X(o=0.094,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.320 -39.994 -2.203 1.00 0.00 N ATOM 2 CA MET A 1 18.427 -40.229 -1.282 1.00 0.00 C ATOM 3 C MET A 1 19.522 -41.139 -1.882 1.00 0.00 C ATOM 4 O MET A 1 20.666 -40.704 -2.016 1.00 0.00 O ATOM 5 CB MET A 1 17.880 -40.859 0.028 1.00 0.00 C ATOM 6 CG MET A 1 16.959 -39.942 0.862 1.00 0.00 C ATOM 7 SD MET A 1 16.335 -40.781 2.342 1.00 0.00 S ATOM 8 CE MET A 1 17.537 -40.232 3.580 1.00 0.00 C ATOM 0 H1 MET A 1 16.693 -39.262 -1.813 1.00 0.00 H new ATOM 0 H2 MET A 1 17.693 -39.677 -3.121 1.00 0.00 H new ATOM 0 H3 MET A 1 16.783 -40.875 -2.333 1.00 0.00 H new ATOM 0 HA MET A 1 18.892 -39.265 -1.078 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.331 -41.766 -0.225 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.724 -41.160 0.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.507 -39.047 1.156 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.120 -39.615 0.248 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.287 -40.666 4.548 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.536 -40.554 3.285 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.513 -39.145 3.653 1.00 0.00 H new ATOM 20 N LEU A 2 19.192 -42.379 -2.285 1.00 0.00 N ATOM 21 CA LEU A 2 20.192 -43.391 -2.640 1.00 0.00 C ATOM 22 C LEU A 2 19.935 -44.111 -3.983 1.00 0.00 C ATOM 23 O LEU A 2 18.840 -44.605 -4.294 1.00 0.00 O ATOM 24 CB LEU A 2 20.303 -44.456 -1.503 1.00 0.00 C ATOM 25 CG LEU A 2 20.954 -43.998 -0.174 1.00 0.00 C ATOM 26 CD1 LEU A 2 20.768 -45.086 0.894 1.00 0.00 C ATOM 27 CD2 LEU A 2 22.462 -43.719 -0.317 1.00 0.00 C ATOM 0 H LEU A 2 18.229 -42.703 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 2 21.125 -42.841 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 2 19.300 -44.821 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 2 20.873 -45.303 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 2 20.460 -43.070 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 2 21.227 -44.761 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 2 19.704 -45.261 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 2 21.241 -46.009 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 2 22.866 -43.402 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 2 22.971 -44.626 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 2 22.618 -42.931 -1.054 1.00 0.00 H new ATOM 39 N GLN A 3 21.041 -44.210 -4.739 1.00 0.00 N ATOM 40 CA GLN A 3 21.143 -44.955 -6.002 1.00 0.00 C ATOM 41 C GLN A 3 20.742 -46.444 -5.846 1.00 0.00 C ATOM 42 O GLN A 3 20.093 -47.030 -6.716 1.00 0.00 O ATOM 43 CB GLN A 3 22.611 -44.814 -6.510 1.00 0.00 C ATOM 44 CG GLN A 3 22.769 -44.794 -8.064 1.00 0.00 C ATOM 45 CD GLN A 3 22.636 -43.390 -8.686 1.00 0.00 C ATOM 46 OE1 GLN A 3 22.630 -42.350 -8.033 1.00 0.00 O ATOM 47 NE2 GLN A 3 22.546 -43.295 -9.999 1.00 0.00 N ATOM 0 H GLN A 3 21.917 -43.758 -4.478 1.00 0.00 H new ATOM 0 HA GLN A 3 20.443 -44.540 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 3 23.034 -43.895 -6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 3 23.200 -45.640 -6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 3 23.744 -45.206 -8.326 1.00 0.00 H new ATOM 0 HG3 GLN A 3 22.017 -45.449 -8.505 1.00 0.00 H new ATOM 0 HE21 GLN A 3 22.548 -44.138 -10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 3 22.474 -42.378 -10.440 1.00 0.00 H new ATOM 56 N LYS A 4 21.114 -47.022 -4.691 1.00 0.00 N ATOM 57 CA LYS A 4 20.676 -48.339 -4.221 1.00 0.00 C ATOM 58 C LYS A 4 19.140 -48.468 -4.058 1.00 0.00 C ATOM 59 O LYS A 4 18.572 -49.513 -4.388 1.00 0.00 O ATOM 60 CB LYS A 4 21.449 -48.632 -2.891 1.00 0.00 C ATOM 61 CG LYS A 4 21.062 -49.926 -2.124 1.00 0.00 C ATOM 62 CD LYS A 4 21.350 -51.241 -2.889 1.00 0.00 C ATOM 63 CE LYS A 4 20.340 -52.313 -2.494 1.00 0.00 C ATOM 64 NZ LYS A 4 20.451 -53.430 -3.428 1.00 0.00 N ATOM 0 H LYS A 4 21.751 -46.565 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 4 20.913 -49.088 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 4 22.513 -48.679 -3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.305 -47.784 -2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.602 -49.946 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.999 -49.886 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.301 -51.063 -3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.361 -51.585 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.529 -52.652 -1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.330 -51.905 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.721 -54.138 -3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 20.319 -53.084 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.392 -53.864 -3.340 1.00 0.00 H new ATOM 78 N LYS A 5 18.435 -47.431 -3.584 1.00 0.00 N ATOM 79 CA LYS A 5 16.974 -47.446 -3.468 1.00 0.00 C ATOM 80 C LYS A 5 16.251 -47.361 -4.828 1.00 0.00 C ATOM 81 O LYS A 5 15.232 -48.046 -4.987 1.00 0.00 O ATOM 82 CB LYS A 5 16.502 -46.363 -2.476 1.00 0.00 C ATOM 83 CG LYS A 5 16.802 -46.731 -1.006 1.00 0.00 C ATOM 84 CD LYS A 5 16.268 -45.653 -0.045 1.00 0.00 C ATOM 85 CE LYS A 5 16.440 -46.064 1.415 1.00 0.00 C ATOM 86 NZ LYS A 5 15.873 -45.004 2.236 1.00 0.00 N ATOM 0 H LYS A 5 18.863 -46.560 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 5 16.692 -48.419 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.989 -45.418 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.430 -46.208 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.347 -47.692 -0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.877 -46.845 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.793 -44.714 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.213 -45.472 -0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.936 -47.011 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.494 -46.210 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.973 -45.252 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.375 -44.113 2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.865 -44.889 2.007 1.00 0.00 H new ATOM 100 N ILE A 6 16.745 -46.571 -5.811 1.00 0.00 N ATOM 101 CA ILE A 6 16.258 -46.686 -7.209 1.00 0.00 C ATOM 102 C ILE A 6 16.488 -48.105 -7.739 1.00 0.00 C ATOM 103 O ILE A 6 15.556 -48.687 -8.294 1.00 0.00 O ATOM 104 CB ILE A 6 16.850 -45.684 -8.263 1.00 0.00 C ATOM 105 CG1 ILE A 6 16.603 -44.232 -7.861 1.00 0.00 C ATOM 106 CG2 ILE A 6 16.304 -45.871 -9.732 1.00 0.00 C ATOM 107 CD1 ILE A 6 17.802 -43.614 -7.127 1.00 0.00 C ATOM 0 H ILE A 6 17.464 -45.862 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 6 15.204 -46.426 -7.116 1.00 0.00 H new ATOM 0 HB ILE A 6 17.915 -45.918 -8.268 1.00 0.00 H new ATOM 0 HG12 ILE A 6 16.384 -43.644 -8.752 1.00 0.00 H new ATOM 0 HG13 ILE A 6 15.723 -44.180 -7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 6 16.769 -45.136 -10.389 1.00 0.00 H new ATOM 0 HG22 ILE A 6 16.543 -46.875 -10.084 1.00 0.00 H new ATOM 0 HG23 ILE A 6 15.223 -45.732 -9.739 1.00 0.00 H new ATOM 0 HD11 ILE A 6 17.574 -42.581 -6.864 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.006 -44.183 -6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 6 18.678 -43.638 -7.776 1.00 0.00 H new ATOM 119 N GLU A 7 17.704 -48.649 -7.547 1.00 0.00 N ATOM 120 CA GLU A 7 18.020 -50.037 -7.875 1.00 0.00 C ATOM 121 C GLU A 7 17.033 -51.007 -7.204 1.00 0.00 C ATOM 122 O GLU A 7 16.355 -51.712 -7.936 1.00 0.00 O ATOM 123 CB GLU A 7 19.471 -50.358 -7.450 1.00 0.00 C ATOM 124 CG GLU A 7 19.972 -51.776 -7.873 1.00 0.00 C ATOM 125 CD GLU A 7 21.123 -52.257 -6.991 1.00 0.00 C ATOM 126 OE1 GLU A 7 20.844 -52.818 -5.928 1.00 0.00 O ATOM 127 OE2 GLU A 7 22.275 -52.067 -7.366 1.00 0.00 O ATOM 0 H GLU A 7 18.492 -48.131 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 7 17.927 -50.166 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.136 -49.609 -7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.547 -50.268 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 7 19.147 -52.486 -7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.297 -51.752 -8.913 1.00 0.00 H new ATOM 134 N GLU A 8 16.839 -51.067 -5.881 1.00 0.00 N ATOM 135 CA GLU A 8 15.951 -52.076 -5.291 1.00 0.00 C ATOM 136 C GLU A 8 14.434 -51.851 -5.547 1.00 0.00 C ATOM 137 O GLU A 8 13.621 -52.714 -5.203 1.00 0.00 O ATOM 138 CB GLU A 8 16.303 -52.208 -3.782 1.00 0.00 C ATOM 139 CG GLU A 8 16.084 -53.640 -3.195 1.00 0.00 C ATOM 140 CD GLU A 8 16.983 -54.700 -3.843 1.00 0.00 C ATOM 141 OE1 GLU A 8 18.183 -54.732 -3.557 1.00 0.00 O ATOM 142 OE2 GLU A 8 16.470 -55.496 -4.633 1.00 0.00 O ATOM 0 H GLU A 8 17.278 -50.439 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 8 16.134 -53.021 -5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.345 -51.924 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.698 -51.499 -3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.273 -53.619 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.041 -53.926 -3.329 1.00 0.00 H new ATOM 149 N GLU A 9 13.995 -50.719 -6.125 1.00 0.00 N ATOM 150 CA GLU A 9 12.702 -50.661 -6.828 1.00 0.00 C ATOM 151 C GLU A 9 12.834 -51.088 -8.310 1.00 0.00 C ATOM 152 O GLU A 9 12.336 -52.148 -8.704 1.00 0.00 O ATOM 153 CB GLU A 9 12.067 -49.247 -6.698 1.00 0.00 C ATOM 154 CG GLU A 9 11.994 -48.687 -5.241 1.00 0.00 C ATOM 155 CD GLU A 9 11.236 -49.541 -4.220 1.00 0.00 C ATOM 156 OE1 GLU A 9 10.174 -50.100 -4.516 1.00 0.00 O ATOM 157 OE2 GLU A 9 11.718 -49.609 -3.087 1.00 0.00 O ATOM 0 H GLU A 9 14.511 -49.839 -6.120 1.00 0.00 H new ATOM 0 HA GLU A 9 12.033 -51.377 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.639 -48.550 -7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.058 -49.279 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.012 -48.544 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.527 -47.703 -5.276 1.00 0.00 H new ATOM 164 N ALA A 10 13.498 -50.271 -9.139 1.00 0.00 N ATOM 165 CA ALA A 10 13.687 -50.516 -10.578 1.00 0.00 C ATOM 166 C ALA A 10 14.641 -51.664 -11.020 1.00 0.00 C ATOM 167 O ALA A 10 14.856 -51.822 -12.221 1.00 0.00 O ATOM 168 CB ALA A 10 14.082 -49.162 -11.205 1.00 0.00 C ATOM 0 H ALA A 10 13.929 -49.402 -8.822 1.00 0.00 H new ATOM 0 HA ALA A 10 12.739 -50.908 -10.946 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.235 -49.288 -12.277 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.287 -48.436 -11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.004 -48.804 -10.747 1.00 0.00 H new ATOM 174 N ALA A 11 15.292 -52.461 -10.164 1.00 0.00 N ATOM 175 CA ALA A 11 15.834 -53.780 -10.530 1.00 0.00 C ATOM 176 C ALA A 11 14.791 -54.909 -10.495 1.00 0.00 C ATOM 177 O ALA A 11 14.837 -55.835 -11.307 1.00 0.00 O ATOM 178 CB ALA A 11 17.015 -54.142 -9.598 1.00 0.00 C ATOM 0 H ALA A 11 15.460 -52.209 -9.190 1.00 0.00 H new ATOM 0 HA ALA A 11 16.169 -53.694 -11.564 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.411 -55.119 -9.875 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.799 -53.392 -9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.668 -54.171 -8.565 1.00 0.00 H new ATOM 184 N LYS A 12 13.853 -54.829 -9.542 1.00 0.00 N ATOM 185 CA LYS A 12 12.900 -55.900 -9.261 1.00 0.00 C ATOM 186 C LYS A 12 11.808 -56.081 -10.332 1.00 0.00 C ATOM 187 O LYS A 12 11.452 -57.231 -10.623 1.00 0.00 O ATOM 188 CB LYS A 12 12.291 -55.676 -7.850 1.00 0.00 C ATOM 189 CG LYS A 12 13.231 -56.057 -6.673 1.00 0.00 C ATOM 190 CD LYS A 12 13.330 -57.589 -6.482 1.00 0.00 C ATOM 191 CE LYS A 12 14.127 -58.054 -5.258 1.00 0.00 C ATOM 192 NZ LYS A 12 15.547 -57.764 -5.429 1.00 0.00 N ATOM 0 H LYS A 12 13.737 -54.012 -8.943 1.00 0.00 H new ATOM 0 HA LYS A 12 13.454 -56.838 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.013 -54.627 -7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.373 -56.258 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.225 -55.650 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.864 -55.600 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.321 -57.994 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.785 -58.020 -7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.754 -57.556 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.984 -59.124 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.111 -58.501 -4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.778 -57.745 -6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.766 -56.839 -5.007 1.00 0.00 H new ATOM 206 N TYR A 13 11.236 -54.986 -10.868 1.00 0.00 N ATOM 207 CA TYR A 13 10.271 -54.952 -11.989 1.00 0.00 C ATOM 208 C TYR A 13 8.916 -55.670 -11.786 1.00 0.00 C ATOM 209 O TYR A 13 7.925 -55.303 -12.417 1.00 0.00 O ATOM 210 CB TYR A 13 10.960 -55.322 -13.348 1.00 0.00 C ATOM 211 CG TYR A 13 11.465 -54.084 -14.121 1.00 0.00 C ATOM 212 CD1 TYR A 13 12.151 -53.040 -13.518 1.00 0.00 C ATOM 213 CD2 TYR A 13 11.219 -53.954 -15.481 1.00 0.00 C ATOM 214 CE1 TYR A 13 12.553 -51.931 -14.232 1.00 0.00 C ATOM 215 CE2 TYR A 13 11.622 -52.843 -16.203 1.00 0.00 C ATOM 216 CZ TYR A 13 12.287 -51.822 -15.568 1.00 0.00 C ATOM 217 OH TYR A 13 12.642 -50.679 -16.217 1.00 0.00 O ATOM 0 H TYR A 13 11.444 -54.052 -10.514 1.00 0.00 H new ATOM 0 HA TYR A 13 9.960 -53.908 -12.021 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.799 -55.991 -13.154 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.253 -55.870 -13.971 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.376 -53.097 -12.463 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.695 -54.747 -15.994 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.085 -51.138 -13.728 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.414 -52.779 -17.261 1.00 0.00 H new ATOM 0 HH TYR A 13 12.390 -50.747 -17.162 1.00 0.00 H new ATOM 227 N LYS A 14 8.863 -56.695 -10.930 1.00 0.00 N ATOM 228 CA LYS A 14 7.641 -57.305 -10.393 1.00 0.00 C ATOM 229 C LYS A 14 6.778 -56.301 -9.603 1.00 0.00 C ATOM 230 O LYS A 14 5.547 -56.326 -9.666 1.00 0.00 O ATOM 231 CB LYS A 14 8.073 -58.485 -9.486 1.00 0.00 C ATOM 232 CG LYS A 14 8.750 -59.616 -10.302 1.00 0.00 C ATOM 233 CD LYS A 14 9.514 -60.651 -9.446 1.00 0.00 C ATOM 234 CE LYS A 14 10.812 -60.158 -8.777 1.00 0.00 C ATOM 235 NZ LYS A 14 11.755 -59.685 -9.788 1.00 0.00 N ATOM 0 H LYS A 14 9.708 -57.143 -10.576 1.00 0.00 H new ATOM 0 HA LYS A 14 7.019 -57.650 -11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.762 -58.124 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.201 -58.883 -8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.987 -60.135 -10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.443 -59.169 -11.014 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.843 -61.013 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.758 -61.505 -10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.586 -59.354 -8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.262 -60.966 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.727 -59.882 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.575 -60.175 -10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.635 -58.661 -9.922 1.00 0.00 H new ATOM 249 N TYR A 15 7.430 -55.389 -8.868 1.00 0.00 N ATOM 250 CA TYR A 15 6.792 -54.209 -8.280 1.00 0.00 C ATOM 251 C TYR A 15 6.543 -53.105 -9.337 1.00 0.00 C ATOM 252 O TYR A 15 7.017 -51.966 -9.250 1.00 0.00 O ATOM 253 CB TYR A 15 7.676 -53.711 -7.106 1.00 0.00 C ATOM 254 CG TYR A 15 7.725 -54.738 -5.966 1.00 0.00 C ATOM 255 CD1 TYR A 15 6.591 -55.057 -5.239 1.00 0.00 C ATOM 256 CD2 TYR A 15 8.907 -55.365 -5.612 1.00 0.00 C ATOM 257 CE1 TYR A 15 6.637 -55.957 -4.193 1.00 0.00 C ATOM 258 CE2 TYR A 15 8.963 -56.268 -4.568 1.00 0.00 C ATOM 259 CZ TYR A 15 7.823 -56.560 -3.859 1.00 0.00 C ATOM 260 OH TYR A 15 7.852 -57.439 -2.826 1.00 0.00 O ATOM 0 H TYR A 15 8.427 -55.453 -8.664 1.00 0.00 H new ATOM 0 HA TYR A 15 5.807 -54.475 -7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.686 -53.517 -7.466 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.285 -52.766 -6.730 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.651 -54.592 -5.495 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.807 -55.143 -6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.739 -56.186 -3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.899 -56.742 -4.310 1.00 0.00 H new ATOM 0 HH TYR A 15 8.763 -57.782 -2.714 1.00 0.00 H new ATOM 270 N ALA A 16 5.707 -53.495 -10.309 1.00 0.00 N ATOM 271 CA ALA A 16 5.481 -52.791 -11.573 1.00 0.00 C ATOM 272 C ALA A 16 4.966 -51.345 -11.442 1.00 0.00 C ATOM 273 O ALA A 16 5.549 -50.418 -12.006 1.00 0.00 O ATOM 274 CB ALA A 16 4.522 -53.650 -12.425 1.00 0.00 C ATOM 0 H ALA A 16 5.148 -54.345 -10.230 1.00 0.00 H new ATOM 0 HA ALA A 16 6.452 -52.672 -12.053 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.334 -53.151 -13.376 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.974 -54.625 -12.610 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.581 -53.782 -11.892 1.00 0.00 H new ATOM 280 N MET A 17 3.901 -51.158 -10.654 1.00 0.00 N ATOM 281 CA MET A 17 3.317 -49.847 -10.367 1.00 0.00 C ATOM 282 C MET A 17 4.272 -48.938 -9.561 1.00 0.00 C ATOM 283 O MET A 17 4.284 -47.720 -9.739 1.00 0.00 O ATOM 284 CB MET A 17 1.980 -50.097 -9.620 1.00 0.00 C ATOM 285 CG MET A 17 1.110 -48.833 -9.437 1.00 0.00 C ATOM 286 SD MET A 17 -0.476 -49.203 -8.642 1.00 0.00 S ATOM 287 CE MET A 17 -1.551 -49.379 -10.089 1.00 0.00 C ATOM 0 H MET A 17 3.415 -51.926 -10.192 1.00 0.00 H new ATOM 0 HA MET A 17 3.138 -49.307 -11.297 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.405 -50.844 -10.168 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.198 -50.519 -8.639 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.654 -48.103 -8.837 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.929 -48.375 -10.409 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.565 -49.609 -9.763 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.554 -48.448 -10.655 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.181 -50.187 -10.721 1.00 0.00 H new ATOM 297 N LEU A 18 5.135 -49.538 -8.733 1.00 0.00 N ATOM 298 CA LEU A 18 6.024 -48.817 -7.823 1.00 0.00 C ATOM 299 C LEU A 18 7.333 -48.392 -8.509 1.00 0.00 C ATOM 300 O LEU A 18 7.792 -47.264 -8.308 1.00 0.00 O ATOM 301 CB LEU A 18 6.254 -49.682 -6.556 1.00 0.00 C ATOM 302 CG LEU A 18 4.932 -50.137 -5.876 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.216 -51.084 -4.711 1.00 0.00 C ATOM 304 CD2 LEU A 18 4.096 -48.950 -5.372 1.00 0.00 C ATOM 0 H LEU A 18 5.235 -50.552 -8.678 1.00 0.00 H new ATOM 0 HA LEU A 18 5.552 -47.883 -7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.838 -50.562 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.847 -49.114 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 18 4.356 -50.658 -6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.275 -51.388 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.742 -51.965 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.833 -50.575 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.183 -49.320 -4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.673 -48.383 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.838 -48.304 -6.211 1.00 0.00 H new ATOM 316 N LYS A 19 7.959 -49.240 -9.337 1.00 0.00 N ATOM 317 CA LYS A 19 8.962 -48.744 -10.281 1.00 0.00 C ATOM 318 C LYS A 19 8.361 -47.790 -11.342 1.00 0.00 C ATOM 319 O LYS A 19 9.084 -46.926 -11.836 1.00 0.00 O ATOM 320 CB LYS A 19 9.775 -49.909 -10.906 1.00 0.00 C ATOM 321 CG LYS A 19 9.009 -50.871 -11.846 1.00 0.00 C ATOM 322 CD LYS A 19 9.108 -50.494 -13.339 1.00 0.00 C ATOM 323 CE LYS A 19 8.295 -51.437 -14.213 1.00 0.00 C ATOM 324 NZ LYS A 19 8.547 -51.060 -15.593 1.00 0.00 N ATOM 0 H LYS A 19 7.793 -50.246 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 19 9.667 -48.137 -9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.608 -49.481 -11.464 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.204 -50.497 -10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.395 -51.881 -11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.959 -50.889 -11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.756 -49.472 -13.480 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.152 -50.517 -13.652 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.585 -52.473 -14.037 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.233 -51.360 -13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.751 -51.368 -16.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.648 -50.027 -15.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.422 -51.515 -15.923 1.00 0.00 H new ATOM 338 N LYS A 20 7.077 -47.886 -11.736 1.00 0.00 N ATOM 339 CA LYS A 20 6.422 -46.822 -12.510 1.00 0.00 C ATOM 340 C LYS A 20 6.284 -45.517 -11.682 1.00 0.00 C ATOM 341 O LYS A 20 6.446 -44.447 -12.270 1.00 0.00 O ATOM 342 CB LYS A 20 5.065 -47.346 -13.056 1.00 0.00 C ATOM 343 CG LYS A 20 4.384 -46.484 -14.150 1.00 0.00 C ATOM 344 CD LYS A 20 3.278 -45.550 -13.601 1.00 0.00 C ATOM 345 CE LYS A 20 2.583 -44.718 -14.685 1.00 0.00 C ATOM 346 NZ LYS A 20 3.501 -43.693 -15.172 1.00 0.00 N ATOM 0 H LYS A 20 6.478 -48.686 -11.531 1.00 0.00 H new ATOM 0 HA LYS A 20 7.045 -46.557 -13.364 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.222 -48.347 -13.458 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.374 -47.444 -12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.142 -45.881 -14.651 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.952 -47.142 -14.903 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.532 -46.151 -13.082 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.715 -44.877 -12.863 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.269 -45.361 -15.507 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.683 -44.254 -14.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.978 -43.006 -15.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.936 -43.204 -14.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.244 -44.138 -15.748 1.00 0.00 H new ATOM 360 N CYS A 21 6.015 -45.538 -10.357 1.00 0.00 N ATOM 361 CA CYS A 21 6.200 -44.370 -9.471 1.00 0.00 C ATOM 362 C CYS A 21 7.622 -43.760 -9.521 1.00 0.00 C ATOM 363 O CYS A 21 7.762 -42.531 -9.544 1.00 0.00 O ATOM 364 CB CYS A 21 5.869 -44.733 -8.009 1.00 0.00 C ATOM 365 SG CYS A 21 4.124 -45.045 -7.640 1.00 0.00 S ATOM 0 H CYS A 21 5.664 -46.365 -9.874 1.00 0.00 H new ATOM 0 HA CYS A 21 5.509 -43.616 -9.848 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.441 -45.621 -7.738 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.216 -43.923 -7.368 1.00 0.00 H new ATOM 370 N CYS A 22 8.668 -44.611 -9.545 1.00 0.00 N ATOM 371 CA CYS A 22 10.034 -44.204 -9.931 1.00 0.00 C ATOM 372 C CYS A 22 10.040 -43.441 -11.247 1.00 0.00 C ATOM 373 O CYS A 22 10.488 -42.297 -11.318 1.00 0.00 O ATOM 374 CB CYS A 22 11.038 -45.384 -9.861 1.00 0.00 C ATOM 375 SG CYS A 22 12.679 -44.945 -9.217 1.00 0.00 S ATOM 0 H CYS A 22 8.590 -45.597 -9.298 1.00 0.00 H new ATOM 0 HA CYS A 22 10.398 -43.493 -9.189 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.614 -46.168 -9.233 1.00 0.00 H new ATOM 0 HB3 CYS A 22 11.155 -45.804 -10.860 1.00 0.00 H new ATOM 380 N TYR A 23 9.477 -44.024 -12.282 1.00 0.00 N ATOM 381 CA TYR A 23 9.534 -43.406 -13.592 1.00 0.00 C ATOM 382 C TYR A 23 8.608 -42.172 -13.744 1.00 0.00 C ATOM 383 O TYR A 23 8.875 -41.316 -14.589 1.00 0.00 O ATOM 384 CB TYR A 23 9.410 -44.548 -14.583 1.00 0.00 C ATOM 385 CG TYR A 23 10.476 -45.663 -14.364 1.00 0.00 C ATOM 386 CD1 TYR A 23 11.592 -45.654 -13.484 1.00 0.00 C ATOM 387 CD2 TYR A 23 10.349 -46.748 -15.211 1.00 0.00 C ATOM 388 CE1 TYR A 23 12.522 -46.679 -13.556 1.00 0.00 C ATOM 389 CE2 TYR A 23 11.277 -47.764 -15.262 1.00 0.00 C ATOM 390 CZ TYR A 23 12.370 -47.723 -14.440 1.00 0.00 C ATOM 391 OH TYR A 23 13.299 -48.713 -14.507 1.00 0.00 O ATOM 0 H TYR A 23 8.980 -44.914 -12.246 1.00 0.00 H new ATOM 0 HA TYR A 23 10.479 -42.902 -13.793 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.414 -44.984 -14.503 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.506 -44.155 -15.595 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.714 -44.856 -12.766 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.487 -46.801 -15.859 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.384 -46.658 -12.905 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.143 -48.588 -15.947 1.00 0.00 H new ATOM 0 HH TYR A 23 12.907 -49.500 -14.940 1.00 0.00 H new ATOM 401 N ASP A 24 7.560 -42.030 -12.907 1.00 0.00 N ATOM 402 CA ASP A 24 6.886 -40.745 -12.646 1.00 0.00 C ATOM 403 C ASP A 24 7.825 -39.680 -12.040 1.00 0.00 C ATOM 404 O ASP A 24 7.759 -38.515 -12.433 1.00 0.00 O ATOM 405 CB ASP A 24 5.654 -40.911 -11.704 1.00 0.00 C ATOM 406 CG ASP A 24 4.574 -41.865 -12.213 1.00 0.00 C ATOM 407 OD1 ASP A 24 4.356 -41.987 -13.424 1.00 0.00 O ATOM 408 OD2 ASP A 24 3.927 -42.479 -11.372 1.00 0.00 O ATOM 0 H ASP A 24 7.156 -42.811 -12.390 1.00 0.00 H new ATOM 0 HA ASP A 24 6.556 -40.400 -13.626 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.003 -41.266 -10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.205 -39.931 -11.542 1.00 0.00 H new ATOM 413 N GLY A 25 8.667 -40.061 -11.064 1.00 0.00 N ATOM 414 CA GLY A 25 9.727 -39.191 -10.530 1.00 0.00 C ATOM 415 C GLY A 25 10.849 -38.847 -11.520 1.00 0.00 C ATOM 416 O GLY A 25 11.313 -37.707 -11.526 1.00 0.00 O ATOM 0 H GLY A 25 8.631 -40.980 -10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.273 -38.263 -10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.168 -39.675 -9.659 1.00 0.00 H new ATOM 420 N ALA A 26 11.310 -39.813 -12.330 1.00 0.00 N ATOM 421 CA ALA A 26 12.318 -39.582 -13.374 1.00 0.00 C ATOM 422 C ALA A 26 11.827 -38.676 -14.523 1.00 0.00 C ATOM 423 O ALA A 26 12.510 -37.705 -14.882 1.00 0.00 O ATOM 424 CB ALA A 26 12.811 -40.938 -13.918 1.00 0.00 C ATOM 0 H ALA A 26 10.992 -40.781 -12.278 1.00 0.00 H new ATOM 0 HA ALA A 26 13.142 -39.041 -12.908 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.559 -40.769 -14.693 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.253 -41.516 -13.107 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.970 -41.488 -14.340 1.00 0.00 H new ATOM 430 N TYR A 27 10.638 -38.931 -15.097 1.00 0.00 N ATOM 431 CA TYR A 27 10.046 -38.050 -16.113 1.00 0.00 C ATOM 432 C TYR A 27 9.350 -36.813 -15.492 1.00 0.00 C ATOM 433 O TYR A 27 8.173 -36.518 -15.721 1.00 0.00 O ATOM 434 CB TYR A 27 9.091 -38.866 -17.031 1.00 0.00 C ATOM 435 CG TYR A 27 9.857 -39.911 -17.858 1.00 0.00 C ATOM 436 CD1 TYR A 27 10.527 -39.569 -19.021 1.00 0.00 C ATOM 437 CD2 TYR A 27 9.901 -41.236 -17.466 1.00 0.00 C ATOM 438 CE1 TYR A 27 11.215 -40.512 -19.761 1.00 0.00 C ATOM 439 CE2 TYR A 27 10.585 -42.186 -18.198 1.00 0.00 C ATOM 440 CZ TYR A 27 11.241 -41.822 -19.345 1.00 0.00 C ATOM 441 OH TYR A 27 11.910 -42.764 -20.056 1.00 0.00 O ATOM 0 H TYR A 27 10.067 -39.746 -14.871 1.00 0.00 H new ATOM 0 HA TYR A 27 10.853 -37.652 -16.727 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.338 -39.365 -16.421 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.562 -38.188 -17.701 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.511 -38.543 -19.357 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.387 -41.536 -16.564 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.731 -40.220 -20.664 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.603 -43.214 -17.867 1.00 0.00 H new ATOM 0 HH TYR A 27 11.821 -43.633 -19.612 1.00 0.00 H new ATOM 451 N ARG A 28 10.126 -36.069 -14.692 1.00 0.00 N ATOM 452 CA ARG A 28 9.682 -34.844 -14.036 1.00 0.00 C ATOM 453 C ARG A 28 9.590 -33.657 -15.019 1.00 0.00 C ATOM 454 O ARG A 28 10.566 -33.292 -15.686 1.00 0.00 O ATOM 455 CB ARG A 28 10.681 -34.536 -12.890 1.00 0.00 C ATOM 456 CG ARG A 28 10.251 -33.376 -11.957 1.00 0.00 C ATOM 457 CD ARG A 28 11.304 -33.080 -10.881 1.00 0.00 C ATOM 458 NE ARG A 28 12.471 -32.448 -11.495 1.00 0.00 N ATOM 459 CZ ARG A 28 13.593 -32.180 -10.895 1.00 0.00 C ATOM 460 NH1 ARG A 28 13.867 -32.449 -9.678 1.00 0.00 N ATOM 461 NH2 ARG A 28 14.489 -31.602 -11.583 1.00 0.00 N ATOM 0 H ARG A 28 11.095 -36.310 -14.483 1.00 0.00 H new ATOM 0 HA ARG A 28 8.676 -34.989 -13.643 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.816 -35.436 -12.291 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.651 -34.295 -13.325 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.078 -32.479 -12.551 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.305 -33.628 -11.478 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.884 -32.426 -10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.598 -34.004 -10.383 1.00 0.00 H new ATOM 0 HE ARG A 28 12.398 -32.195 -12.481 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.175 -32.914 -9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.778 -32.199 -9.293 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.311 -31.369 -12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.387 -31.370 -11.159 1.00 0.00 H new ATOM 475 N ASN A 29 8.382 -33.095 -15.152 1.00 0.00 N ATOM 476 CA ASN A 29 8.175 -31.776 -15.754 1.00 0.00 C ATOM 477 C ASN A 29 8.746 -30.666 -14.842 1.00 0.00 C ATOM 478 O ASN A 29 8.155 -30.289 -13.823 1.00 0.00 O ATOM 479 CB ASN A 29 6.660 -31.560 -16.018 1.00 0.00 C ATOM 480 CG ASN A 29 6.106 -32.608 -16.979 1.00 0.00 C ATOM 481 OD1 ASN A 29 5.585 -33.634 -16.563 1.00 0.00 O ATOM 482 ND2 ASN A 29 6.188 -32.420 -18.281 1.00 0.00 N ATOM 0 H ASN A 29 7.520 -33.545 -14.844 1.00 0.00 H new ATOM 0 HA ASN A 29 8.707 -31.726 -16.704 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.115 -31.605 -15.075 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.500 -30.564 -16.432 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.821 -33.123 -18.922 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.619 -31.571 -18.648 1.00 0.00 H new ATOM 489 N ASP A 30 9.936 -30.169 -15.209 1.00 0.00 N ATOM 490 CA ASP A 30 10.744 -29.223 -14.428 1.00 0.00 C ATOM 491 C ASP A 30 10.158 -27.795 -14.315 1.00 0.00 C ATOM 492 O ASP A 30 10.699 -26.795 -14.792 1.00 0.00 O ATOM 493 CB ASP A 30 12.184 -29.215 -15.014 1.00 0.00 C ATOM 494 CG ASP A 30 12.802 -30.607 -14.982 1.00 0.00 C ATOM 495 OD1 ASP A 30 13.251 -31.037 -13.919 1.00 0.00 O ATOM 496 OD2 ASP A 30 12.829 -31.258 -16.024 1.00 0.00 O ATOM 0 H ASP A 30 10.378 -30.425 -16.092 1.00 0.00 H new ATOM 0 HA ASP A 30 10.747 -29.574 -13.396 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.159 -28.849 -16.041 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.807 -28.525 -14.445 1.00 0.00 H new ATOM 501 N ASP A 31 8.999 -27.746 -13.660 1.00 0.00 N ATOM 502 CA ASP A 31 8.309 -26.509 -13.296 1.00 0.00 C ATOM 503 C ASP A 31 8.040 -26.431 -11.777 1.00 0.00 C ATOM 504 O ASP A 31 8.672 -25.635 -11.082 1.00 0.00 O ATOM 505 CB ASP A 31 7.036 -26.323 -14.198 1.00 0.00 C ATOM 506 CG ASP A 31 6.259 -27.616 -14.451 1.00 0.00 C ATOM 507 OD1 ASP A 31 5.692 -28.162 -13.502 1.00 0.00 O ATOM 508 OD2 ASP A 31 6.238 -28.074 -15.588 1.00 0.00 O ATOM 0 H ASP A 31 8.502 -28.585 -13.361 1.00 0.00 H new ATOM 0 HA ASP A 31 8.956 -25.655 -13.498 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.372 -25.598 -13.727 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.340 -25.901 -15.156 1.00 0.00 H new ATOM 513 N GLU A 32 7.083 -27.206 -11.254 1.00 0.00 N ATOM 514 CA GLU A 32 6.887 -27.425 -9.819 1.00 0.00 C ATOM 515 C GLU A 32 7.936 -28.381 -9.193 1.00 0.00 C ATOM 516 O GLU A 32 8.500 -29.257 -9.856 1.00 0.00 O ATOM 517 CB GLU A 32 5.447 -27.970 -9.681 1.00 0.00 C ATOM 518 CG GLU A 32 4.935 -28.333 -8.257 1.00 0.00 C ATOM 519 CD GLU A 32 3.520 -28.922 -8.264 1.00 0.00 C ATOM 520 OE1 GLU A 32 3.157 -29.712 -9.144 1.00 0.00 O ATOM 521 OE2 GLU A 32 2.764 -28.610 -7.347 1.00 0.00 O ATOM 0 H GLU A 32 6.409 -27.709 -11.831 1.00 0.00 H new ATOM 0 HA GLU A 32 7.025 -26.495 -9.267 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.768 -27.228 -10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.367 -28.862 -10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.619 -29.049 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.948 -27.439 -7.633 1.00 0.00 H new ATOM 528 N THR A 33 8.210 -28.215 -7.891 1.00 0.00 N ATOM 529 CA THR A 33 9.048 -29.131 -7.104 1.00 0.00 C ATOM 530 C THR A 33 8.336 -30.458 -6.759 1.00 0.00 C ATOM 531 O THR A 33 7.140 -30.494 -6.445 1.00 0.00 O ATOM 532 CB THR A 33 9.566 -28.419 -5.823 1.00 0.00 C ATOM 533 OG1 THR A 33 8.538 -27.655 -5.208 1.00 0.00 O ATOM 534 CG2 THR A 33 10.679 -27.420 -6.111 1.00 0.00 C ATOM 0 H THR A 33 7.851 -27.430 -7.348 1.00 0.00 H new ATOM 0 HA THR A 33 9.899 -29.402 -7.729 1.00 0.00 H new ATOM 0 HB THR A 33 9.924 -29.227 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.225 -28.117 -4.402 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.000 -26.954 -5.179 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.523 -27.937 -6.568 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.312 -26.652 -6.792 1.00 0.00 H new ATOM 542 N CYS A 34 9.102 -31.562 -6.800 1.00 0.00 N ATOM 543 CA CYS A 34 8.564 -32.927 -6.829 1.00 0.00 C ATOM 544 C CYS A 34 7.781 -33.371 -5.579 1.00 0.00 C ATOM 545 O CYS A 34 6.846 -34.157 -5.716 1.00 0.00 O ATOM 546 CB CYS A 34 9.662 -33.965 -7.191 1.00 0.00 C ATOM 547 SG CYS A 34 11.043 -34.161 -6.032 1.00 0.00 S ATOM 0 H CYS A 34 10.121 -31.528 -6.814 1.00 0.00 H new ATOM 0 HA CYS A 34 7.816 -32.892 -7.621 1.00 0.00 H new ATOM 0 HB2 CYS A 34 9.181 -34.936 -7.309 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.074 -33.694 -8.163 1.00 0.00 H new ATOM 552 N GLU A 35 8.112 -32.875 -4.380 1.00 0.00 N ATOM 553 CA GLU A 35 7.415 -33.229 -3.135 1.00 0.00 C ATOM 554 C GLU A 35 5.974 -32.693 -3.028 1.00 0.00 C ATOM 555 O GLU A 35 5.156 -33.331 -2.369 1.00 0.00 O ATOM 556 CB GLU A 35 8.243 -32.901 -1.848 1.00 0.00 C ATOM 557 CG GLU A 35 8.951 -31.507 -1.748 1.00 0.00 C ATOM 558 CD GLU A 35 10.230 -31.437 -2.584 1.00 0.00 C ATOM 559 OE1 GLU A 35 11.280 -31.883 -2.111 1.00 0.00 O ATOM 560 OE2 GLU A 35 10.153 -31.003 -3.733 1.00 0.00 O ATOM 0 H GLU A 35 8.876 -32.213 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 35 7.322 -34.313 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.575 -32.996 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.009 -33.670 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.262 -30.729 -2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.191 -31.299 -0.705 1.00 0.00 H new ATOM 567 N GLU A 36 5.624 -31.561 -3.653 1.00 0.00 N ATOM 568 CA GLU A 36 4.237 -31.075 -3.729 1.00 0.00 C ATOM 569 C GLU A 36 3.384 -31.932 -4.691 1.00 0.00 C ATOM 570 O GLU A 36 2.265 -32.367 -4.382 1.00 0.00 O ATOM 571 CB GLU A 36 4.236 -29.579 -4.159 1.00 0.00 C ATOM 572 CG GLU A 36 4.718 -28.564 -3.066 1.00 0.00 C ATOM 573 CD GLU A 36 6.165 -28.760 -2.598 1.00 0.00 C ATOM 574 OE1 GLU A 36 7.065 -28.884 -3.433 1.00 0.00 O ATOM 575 OE2 GLU A 36 6.382 -28.804 -1.391 1.00 0.00 O ATOM 0 H GLU A 36 6.296 -30.954 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 36 3.783 -31.164 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.873 -29.471 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.225 -29.307 -4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.612 -27.552 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.058 -28.642 -2.202 1.00 0.00 H new ATOM 582 N ARG A 37 3.989 -32.201 -5.854 1.00 0.00 N ATOM 583 CA ARG A 37 3.449 -33.107 -6.862 1.00 0.00 C ATOM 584 C ARG A 37 3.284 -34.535 -6.303 1.00 0.00 C ATOM 585 O ARG A 37 2.215 -35.128 -6.455 1.00 0.00 O ATOM 586 CB ARG A 37 4.392 -33.023 -8.087 1.00 0.00 C ATOM 587 CG ARG A 37 3.841 -33.673 -9.375 1.00 0.00 C ATOM 588 CD ARG A 37 4.671 -33.279 -10.608 1.00 0.00 C ATOM 589 NE ARG A 37 4.403 -31.876 -10.928 1.00 0.00 N ATOM 590 CZ ARG A 37 5.038 -31.162 -11.811 1.00 0.00 C ATOM 591 NH1 ARG A 37 6.206 -31.440 -12.257 1.00 0.00 N ATOM 592 NH2 ARG A 37 4.483 -30.074 -12.159 1.00 0.00 N ATOM 0 H ARG A 37 4.882 -31.786 -6.121 1.00 0.00 H new ATOM 0 HA ARG A 37 2.443 -32.818 -7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.608 -31.974 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.338 -33.500 -7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.843 -34.757 -9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.804 -33.370 -9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.733 -33.425 -10.410 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.414 -33.915 -11.455 1.00 0.00 H new ATOM 0 HE ARG A 37 3.652 -31.417 -10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.697 -32.267 -11.919 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.645 -30.834 -12.950 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.589 -29.804 -11.750 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.932 -29.470 -12.848 1.00 0.00 H new ATOM 606 N ALA A 38 4.295 -35.102 -5.629 1.00 0.00 N ATOM 607 CA ALA A 38 4.168 -36.371 -4.911 1.00 0.00 C ATOM 608 C ALA A 38 3.507 -36.313 -3.512 1.00 0.00 C ATOM 609 O ALA A 38 3.357 -37.348 -2.863 1.00 0.00 O ATOM 610 CB ALA A 38 5.502 -37.109 -4.968 1.00 0.00 C ATOM 0 H ALA A 38 5.226 -34.689 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 38 3.418 -36.961 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.417 -38.056 -4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.768 -37.300 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.276 -36.499 -4.502 1.00 0.00 H new ATOM 616 N ALA A 39 3.124 -35.142 -2.982 1.00 0.00 N ATOM 617 CA ALA A 39 2.008 -35.044 -2.035 1.00 0.00 C ATOM 618 C ALA A 39 0.639 -35.310 -2.699 1.00 0.00 C ATOM 619 O ALA A 39 -0.287 -35.753 -2.013 1.00 0.00 O ATOM 620 CB ALA A 39 2.025 -33.672 -1.334 1.00 0.00 C ATOM 0 H ALA A 39 3.572 -34.251 -3.194 1.00 0.00 H new ATOM 0 HA ALA A 39 2.146 -35.827 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.192 -33.611 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.964 -33.551 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.931 -32.882 -2.079 1.00 0.00 H new ATOM 626 N ARG A 40 0.440 -35.004 -3.994 1.00 0.00 N ATOM 627 CA ARG A 40 -0.691 -35.578 -4.749 1.00 0.00 C ATOM 628 C ARG A 40 -0.512 -37.062 -5.155 1.00 0.00 C ATOM 629 O ARG A 40 -1.498 -37.802 -5.146 1.00 0.00 O ATOM 630 CB ARG A 40 -1.097 -34.719 -5.978 1.00 0.00 C ATOM 631 CG ARG A 40 -1.910 -33.440 -5.628 1.00 0.00 C ATOM 632 CD ARG A 40 -1.074 -32.158 -5.569 1.00 0.00 C ATOM 633 NE ARG A 40 -0.616 -31.861 -6.927 1.00 0.00 N ATOM 634 CZ ARG A 40 0.291 -30.987 -7.252 1.00 0.00 C ATOM 635 NH1 ARG A 40 0.850 -30.194 -6.419 1.00 0.00 N ATOM 636 NH2 ARG A 40 0.657 -30.925 -8.472 1.00 0.00 N ATOM 0 H ARG A 40 1.035 -34.374 -4.532 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.512 -35.557 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.195 -34.426 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.686 -35.335 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.699 -33.311 -6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.398 -33.586 -4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.668 -31.332 -5.177 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.224 -32.286 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.047 -32.387 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.590 -30.224 -5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.555 -29.531 -6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.240 -31.550 -9.162 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.366 -30.250 -8.758 1.00 0.00 H new ATOM 650 N ILE A 41 0.676 -37.540 -5.568 1.00 0.00 N ATOM 651 CA ILE A 41 0.978 -38.974 -5.732 1.00 0.00 C ATOM 652 C ILE A 41 1.068 -39.750 -4.391 1.00 0.00 C ATOM 653 O ILE A 41 2.091 -40.068 -3.784 1.00 0.00 O ATOM 654 CB ILE A 41 2.138 -39.275 -6.735 1.00 0.00 C ATOM 655 CG1 ILE A 41 1.843 -38.719 -8.148 1.00 0.00 C ATOM 656 CG2 ILE A 41 2.366 -40.750 -6.898 1.00 0.00 C ATOM 657 CD1 ILE A 41 2.732 -37.524 -8.365 1.00 0.00 C ATOM 0 H ILE A 41 1.463 -36.934 -5.800 1.00 0.00 H new ATOM 0 HA ILE A 41 0.098 -39.388 -6.225 1.00 0.00 H new ATOM 0 HB ILE A 41 3.016 -38.791 -6.308 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.033 -39.479 -8.905 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.794 -38.436 -8.236 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.180 -40.917 -7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.626 -41.187 -5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.457 -41.219 -7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.547 -37.108 -9.355 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.518 -36.769 -7.609 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.776 -37.828 -8.288 1.00 0.00 H new ATOM 669 N LYS A 42 -0.167 -40.061 -4.023 1.00 0.00 N ATOM 670 CA LYS A 42 -0.572 -40.734 -2.783 1.00 0.00 C ATOM 671 C LYS A 42 -0.759 -42.266 -2.883 1.00 0.00 C ATOM 672 O LYS A 42 -1.371 -42.859 -1.991 1.00 0.00 O ATOM 673 CB LYS A 42 -1.883 -40.076 -2.259 1.00 0.00 C ATOM 674 CG LYS A 42 -1.670 -38.749 -1.507 1.00 0.00 C ATOM 675 CD LYS A 42 -3.011 -38.231 -0.944 1.00 0.00 C ATOM 676 CE LYS A 42 -2.890 -36.967 -0.084 1.00 0.00 C ATOM 677 NZ LYS A 42 -2.561 -35.826 -0.929 1.00 0.00 N ATOM 0 H LYS A 42 -0.967 -39.839 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 42 0.259 -40.601 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.549 -39.899 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.388 -40.778 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.958 -38.894 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.239 -38.007 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.686 -38.027 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.470 -39.019 -0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.826 -36.783 0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.119 -37.104 0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.914 -34.953 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.529 -35.764 -1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.005 -35.945 -1.862 1.00 0.00 H new ATOM 691 N ILE A 43 -0.239 -42.935 -3.924 1.00 0.00 N ATOM 692 CA ILE A 43 -0.491 -44.364 -4.186 1.00 0.00 C ATOM 693 C ILE A 43 0.071 -45.296 -3.084 1.00 0.00 C ATOM 694 O ILE A 43 -0.567 -46.293 -2.735 1.00 0.00 O ATOM 695 CB ILE A 43 0.003 -44.726 -5.634 1.00 0.00 C ATOM 696 CG1 ILE A 43 -0.780 -43.898 -6.700 1.00 0.00 C ATOM 697 CG2 ILE A 43 -0.133 -46.241 -5.951 1.00 0.00 C ATOM 698 CD1 ILE A 43 -0.159 -43.914 -8.117 1.00 0.00 C ATOM 0 H ILE A 43 0.373 -42.498 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.566 -44.538 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 43 1.063 -44.475 -5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.799 -44.281 -6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.847 -42.865 -6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.222 -46.434 -6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.462 -46.816 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.179 -46.537 -5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.771 -43.313 -8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.849 -43.501 -8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.117 -44.939 -8.484 1.00 0.00 H new ATOM 710 N GLY A 44 1.238 -44.983 -2.501 1.00 0.00 N ATOM 711 CA GLY A 44 1.752 -45.715 -1.334 1.00 0.00 C ATOM 712 C GLY A 44 3.094 -45.202 -0.767 1.00 0.00 C ATOM 713 O GLY A 44 3.792 -44.475 -1.482 1.00 0.00 O ATOM 0 H GLY A 44 1.844 -44.227 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.004 -45.674 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.870 -46.764 -1.607 1.00 0.00 H new ATOM 717 N PRO A 45 3.512 -45.546 0.481 1.00 0.00 N ATOM 718 CA PRO A 45 4.842 -45.227 1.049 1.00 0.00 C ATOM 719 C PRO A 45 6.051 -45.647 0.186 1.00 0.00 C ATOM 720 O PRO A 45 6.990 -44.873 -0.016 1.00 0.00 O ATOM 721 CB PRO A 45 4.843 -45.978 2.392 1.00 0.00 C ATOM 722 CG PRO A 45 3.392 -45.892 2.804 1.00 0.00 C ATOM 723 CD PRO A 45 2.663 -46.185 1.496 1.00 0.00 C ATOM 0 HA PRO A 45 4.968 -44.147 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.175 -47.010 2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.502 -45.508 3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.146 -46.619 3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.139 -44.908 3.199 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.566 -47.257 1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.655 -45.770 1.496 1.00 0.00 H new ATOM 731 N LYS A 46 5.993 -46.878 -0.341 1.00 0.00 N ATOM 732 CA LYS A 46 7.002 -47.436 -1.245 1.00 0.00 C ATOM 733 C LYS A 46 7.005 -46.739 -2.630 1.00 0.00 C ATOM 734 O LYS A 46 8.050 -46.637 -3.280 1.00 0.00 O ATOM 735 CB LYS A 46 6.750 -48.965 -1.314 1.00 0.00 C ATOM 736 CG LYS A 46 7.958 -49.794 -1.807 1.00 0.00 C ATOM 737 CD LYS A 46 7.701 -51.305 -1.602 1.00 0.00 C ATOM 738 CE LYS A 46 8.847 -52.228 -2.037 1.00 0.00 C ATOM 739 NZ LYS A 46 8.993 -52.203 -3.488 1.00 0.00 N ATOM 0 H LYS A 46 5.228 -47.524 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 46 8.007 -47.252 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.464 -49.318 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.904 -49.151 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.139 -49.590 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.856 -49.496 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.494 -51.482 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.803 -51.583 -2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.777 -51.911 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.650 -53.246 -1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.824 -52.764 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.142 -52.606 -3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.117 -51.221 -3.808 1.00 0.00 H new ATOM 753 N CYS A 47 5.842 -46.204 -3.045 1.00 0.00 N ATOM 754 CA CYS A 47 5.703 -45.342 -4.221 1.00 0.00 C ATOM 755 C CYS A 47 6.384 -43.978 -4.010 1.00 0.00 C ATOM 756 O CYS A 47 7.229 -43.634 -4.837 1.00 0.00 O ATOM 757 CB CYS A 47 4.204 -45.175 -4.582 1.00 0.00 C ATOM 758 SG CYS A 47 3.827 -44.019 -5.928 1.00 0.00 S ATOM 0 H CYS A 47 4.959 -46.365 -2.560 1.00 0.00 H new ATOM 0 HA CYS A 47 6.211 -45.822 -5.058 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.805 -46.154 -4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.671 -44.847 -3.689 1.00 0.00 H new ATOM 763 N VAL A 48 6.047 -43.179 -2.973 1.00 0.00 N ATOM 764 CA VAL A 48 6.820 -41.973 -2.622 1.00 0.00 C ATOM 765 C VAL A 48 8.337 -42.193 -2.445 1.00 0.00 C ATOM 766 O VAL A 48 9.116 -41.327 -2.841 1.00 0.00 O ATOM 767 CB VAL A 48 6.274 -41.161 -1.396 1.00 0.00 C ATOM 768 CG1 VAL A 48 5.900 -39.759 -1.853 1.00 0.00 C ATOM 769 CG2 VAL A 48 5.038 -41.723 -0.703 1.00 0.00 C ATOM 0 H VAL A 48 5.245 -43.350 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 48 6.669 -41.371 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 48 7.090 -41.202 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.520 -39.189 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.781 -39.261 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.131 -39.820 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.759 -41.074 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.214 -41.776 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.256 -42.722 -0.325 1.00 0.00 H new ATOM 779 N LYS A 49 8.759 -43.320 -1.847 1.00 0.00 N ATOM 780 CA LYS A 49 10.167 -43.760 -1.828 1.00 0.00 C ATOM 781 C LYS A 49 10.789 -43.872 -3.242 1.00 0.00 C ATOM 782 O LYS A 49 11.756 -43.161 -3.532 1.00 0.00 O ATOM 783 CB LYS A 49 10.227 -45.110 -1.068 1.00 0.00 C ATOM 784 CG LYS A 49 11.618 -45.766 -0.909 1.00 0.00 C ATOM 785 CD LYS A 49 11.452 -47.165 -0.270 1.00 0.00 C ATOM 786 CE LYS A 49 12.748 -47.964 -0.110 1.00 0.00 C ATOM 787 NZ LYS A 49 13.258 -48.337 -1.425 1.00 0.00 N ATOM 0 H LYS A 49 8.129 -43.957 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 49 10.768 -43.006 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.809 -44.957 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.576 -45.817 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.105 -45.852 -1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.258 -45.142 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.993 -47.047 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.758 -47.745 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.490 -47.370 0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.565 -48.857 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.849 -49.189 -1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.461 -48.531 -2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.829 -47.557 -1.810 1.00 0.00 H new ATOM 801 N ALA A 50 10.226 -44.718 -4.127 1.00 0.00 N ATOM 802 CA ALA A 50 10.608 -44.813 -5.546 1.00 0.00 C ATOM 803 C ALA A 50 10.582 -43.430 -6.242 1.00 0.00 C ATOM 804 O ALA A 50 11.576 -43.032 -6.851 1.00 0.00 O ATOM 805 CB ALA A 50 9.601 -45.784 -6.198 1.00 0.00 C ATOM 0 H ALA A 50 9.480 -45.365 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 50 11.631 -45.175 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.835 -45.895 -7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.664 -46.756 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.591 -45.388 -6.089 1.00 0.00 H new ATOM 811 N PHE A 51 9.486 -42.668 -6.071 1.00 0.00 N ATOM 812 CA PHE A 51 9.312 -41.313 -6.607 1.00 0.00 C ATOM 813 C PHE A 51 10.416 -40.342 -6.146 1.00 0.00 C ATOM 814 O PHE A 51 11.043 -39.708 -6.995 1.00 0.00 O ATOM 815 CB PHE A 51 7.917 -40.784 -6.148 1.00 0.00 C ATOM 816 CG PHE A 51 7.342 -39.691 -7.059 1.00 0.00 C ATOM 817 CD1 PHE A 51 7.931 -38.444 -7.206 1.00 0.00 C ATOM 818 CD2 PHE A 51 6.237 -39.956 -7.845 1.00 0.00 C ATOM 819 CE1 PHE A 51 7.461 -37.525 -8.124 1.00 0.00 C ATOM 820 CE2 PHE A 51 5.761 -39.051 -8.752 1.00 0.00 C ATOM 821 CZ PHE A 51 6.375 -37.830 -8.911 1.00 0.00 C ATOM 0 H PHE A 51 8.677 -42.991 -5.541 1.00 0.00 H new ATOM 0 HA PHE A 51 9.378 -41.365 -7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.217 -41.618 -6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.002 -40.392 -5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.778 -38.185 -6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.735 -40.906 -7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.947 -36.566 -8.224 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.895 -39.297 -9.349 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.010 -37.123 -9.641 1.00 0.00 H new ATOM 831 N LYS A 52 10.659 -40.200 -4.832 1.00 0.00 N ATOM 832 CA LYS A 52 11.680 -39.291 -4.306 1.00 0.00 C ATOM 833 C LYS A 52 13.118 -39.673 -4.707 1.00 0.00 C ATOM 834 O LYS A 52 13.917 -38.795 -5.054 1.00 0.00 O ATOM 835 CB LYS A 52 11.563 -39.167 -2.757 1.00 0.00 C ATOM 836 CG LYS A 52 11.024 -37.802 -2.276 1.00 0.00 C ATOM 837 CD LYS A 52 12.030 -36.649 -2.492 1.00 0.00 C ATOM 838 CE LYS A 52 11.441 -35.325 -2.036 1.00 0.00 C ATOM 839 NZ LYS A 52 12.348 -34.257 -2.436 1.00 0.00 N ATOM 0 H LYS A 52 10.152 -40.712 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 52 11.482 -38.323 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.907 -39.956 -2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.545 -39.335 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.099 -37.575 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.776 -37.868 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.948 -36.853 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.299 -36.588 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.457 -35.174 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.305 -35.322 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.915 -33.336 -2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.243 -34.348 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.535 -34.324 -3.457 1.00 0.00 H new ATOM 853 N ASP A 53 13.463 -40.971 -4.682 1.00 0.00 N ATOM 854 CA ASP A 53 14.778 -41.421 -5.138 1.00 0.00 C ATOM 855 C ASP A 53 14.989 -41.203 -6.655 1.00 0.00 C ATOM 856 O ASP A 53 16.055 -40.732 -7.076 1.00 0.00 O ATOM 857 CB ASP A 53 14.991 -42.885 -4.672 1.00 0.00 C ATOM 858 CG ASP A 53 15.331 -42.947 -3.187 1.00 0.00 C ATOM 859 OD1 ASP A 53 16.424 -42.507 -2.822 1.00 0.00 O ATOM 860 OD2 ASP A 53 14.532 -43.445 -2.404 1.00 0.00 O ATOM 0 H ASP A 53 12.851 -41.718 -4.353 1.00 0.00 H new ATOM 0 HA ASP A 53 15.554 -40.807 -4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.089 -43.466 -4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.794 -43.341 -5.251 1.00 0.00 H new ATOM 865 N CYS A 54 13.997 -41.515 -7.496 1.00 0.00 N ATOM 866 CA CYS A 54 14.010 -41.086 -8.895 1.00 0.00 C ATOM 867 C CYS A 54 13.884 -39.559 -9.128 1.00 0.00 C ATOM 868 O CYS A 54 14.340 -39.101 -10.177 1.00 0.00 O ATOM 869 CB CYS A 54 12.985 -41.879 -9.699 1.00 0.00 C ATOM 870 SG CYS A 54 13.514 -43.492 -10.351 1.00 0.00 S ATOM 0 H CYS A 54 13.178 -42.062 -7.231 1.00 0.00 H new ATOM 0 HA CYS A 54 15.012 -41.312 -9.261 1.00 0.00 H new ATOM 0 HB2 CYS A 54 12.111 -42.039 -9.068 1.00 0.00 H new ATOM 0 HB3 CYS A 54 12.664 -41.263 -10.539 1.00 0.00 H new ATOM 875 N CYS A 55 13.284 -38.738 -8.244 1.00 0.00 N ATOM 876 CA CYS A 55 13.458 -37.272 -8.256 1.00 0.00 C ATOM 877 C CYS A 55 14.936 -36.862 -8.056 1.00 0.00 C ATOM 878 O CYS A 55 15.406 -35.904 -8.680 1.00 0.00 O ATOM 879 CB CYS A 55 12.539 -36.595 -7.198 1.00 0.00 C ATOM 880 SG CYS A 55 12.585 -34.778 -7.183 1.00 0.00 S ATOM 0 H CYS A 55 12.667 -39.071 -7.503 1.00 0.00 H new ATOM 0 HA CYS A 55 13.160 -36.918 -9.243 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.512 -36.915 -7.374 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.821 -36.958 -6.210 1.00 0.00 H new ATOM 885 N TYR A 56 15.690 -37.565 -7.195 1.00 0.00 N ATOM 886 CA TYR A 56 17.155 -37.443 -7.154 1.00 0.00 C ATOM 887 C TYR A 56 17.838 -37.846 -8.481 1.00 0.00 C ATOM 888 O TYR A 56 18.772 -37.151 -8.891 1.00 0.00 O ATOM 889 CB TYR A 56 17.753 -38.215 -5.950 1.00 0.00 C ATOM 890 CG TYR A 56 17.582 -37.436 -4.635 1.00 0.00 C ATOM 891 CD1 TYR A 56 16.365 -37.347 -3.980 1.00 0.00 C ATOM 892 CD2 TYR A 56 18.662 -36.804 -4.041 1.00 0.00 C ATOM 893 CE1 TYR A 56 16.230 -36.663 -2.790 1.00 0.00 C ATOM 894 CE2 TYR A 56 18.537 -36.116 -2.849 1.00 0.00 C ATOM 895 CZ TYR A 56 17.315 -36.048 -2.225 1.00 0.00 C ATOM 896 OH TYR A 56 17.164 -35.386 -1.051 1.00 0.00 O ATOM 0 H TYR A 56 15.308 -38.224 -6.517 1.00 0.00 H new ATOM 0 HA TYR A 56 17.367 -36.383 -7.016 1.00 0.00 H new ATOM 0 HB2 TYR A 56 17.267 -39.187 -5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.812 -38.402 -6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.499 -37.826 -4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 56 19.628 -36.850 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 56 15.267 -36.612 -2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 56 19.397 -35.633 -2.409 1.00 0.00 H new ATOM 0 HH TYR A 56 18.024 -35.004 -0.778 1.00 0.00 H new ATOM 906 N ILE A 57 17.418 -38.930 -9.166 1.00 0.00 N ATOM 907 CA ILE A 57 17.828 -39.196 -10.566 1.00 0.00 C ATOM 908 C ILE A 57 17.459 -38.084 -11.552 1.00 0.00 C ATOM 909 O ILE A 57 18.298 -37.714 -12.374 1.00 0.00 O ATOM 910 CB ILE A 57 17.307 -40.575 -11.107 1.00 0.00 C ATOM 911 CG1 ILE A 57 17.828 -41.766 -10.292 1.00 0.00 C ATOM 912 CG2 ILE A 57 17.553 -40.872 -12.613 1.00 0.00 C ATOM 913 CD1 ILE A 57 19.340 -41.760 -10.036 1.00 0.00 C ATOM 0 H ILE A 57 16.795 -39.637 -8.775 1.00 0.00 H new ATOM 0 HA ILE A 57 18.916 -39.231 -10.509 1.00 0.00 H new ATOM 0 HB ILE A 57 16.230 -40.459 -10.986 1.00 0.00 H new ATOM 0 HG12 ILE A 57 17.312 -41.785 -9.332 1.00 0.00 H new ATOM 0 HG13 ILE A 57 17.566 -42.687 -10.813 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.147 -41.853 -12.861 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.061 -40.111 -13.219 1.00 0.00 H new ATOM 0 HG23 ILE A 57 18.624 -40.860 -12.816 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.614 -42.639 -9.453 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.870 -41.776 -10.988 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.612 -40.860 -9.484 1.00 0.00 H new ATOM 925 N ALA A 58 16.229 -37.568 -11.480 1.00 0.00 N ATOM 926 CA ALA A 58 15.802 -36.396 -12.257 1.00 0.00 C ATOM 927 C ALA A 58 16.777 -35.211 -12.104 1.00 0.00 C ATOM 928 O ALA A 58 17.259 -34.702 -13.116 1.00 0.00 O ATOM 929 CB ALA A 58 14.373 -35.980 -11.874 1.00 0.00 C ATOM 0 H ALA A 58 15.498 -37.951 -10.880 1.00 0.00 H new ATOM 0 HA ALA A 58 15.810 -36.685 -13.308 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.077 -35.111 -12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.688 -36.804 -12.075 1.00 0.00 H new ATOM 0 HB3 ALA A 58 14.339 -35.730 -10.814 1.00 0.00 H new ATOM 935 N ASN A 59 17.138 -34.826 -10.867 1.00 0.00 N ATOM 936 CA ASN A 59 18.181 -33.821 -10.611 1.00 0.00 C ATOM 937 C ASN A 59 19.576 -34.220 -11.144 1.00 0.00 C ATOM 938 O ASN A 59 20.234 -33.392 -11.777 1.00 0.00 O ATOM 939 CB ASN A 59 18.264 -33.493 -9.097 1.00 0.00 C ATOM 940 CG ASN A 59 16.939 -32.939 -8.578 1.00 0.00 C ATOM 941 OD1 ASN A 59 16.425 -31.919 -9.029 1.00 0.00 O ATOM 942 ND2 ASN A 59 16.308 -33.603 -7.632 1.00 0.00 N ATOM 0 H ASN A 59 16.715 -35.203 -10.019 1.00 0.00 H new ATOM 0 HA ASN A 59 17.881 -32.933 -11.167 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.527 -34.393 -8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.058 -32.767 -8.923 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.409 -33.268 -7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.719 -34.453 -7.245 1.00 0.00 H new ATOM 949 N GLN A 60 20.020 -35.468 -10.910 1.00 0.00 N ATOM 950 CA GLN A 60 21.270 -36.028 -11.451 1.00 0.00 C ATOM 951 C GLN A 60 21.325 -35.997 -12.997 1.00 0.00 C ATOM 952 O GLN A 60 22.365 -35.652 -13.564 1.00 0.00 O ATOM 953 CB GLN A 60 21.393 -37.477 -10.895 1.00 0.00 C ATOM 954 CG GLN A 60 22.735 -38.226 -11.126 1.00 0.00 C ATOM 955 CD GLN A 60 22.707 -39.611 -10.465 1.00 0.00 C ATOM 956 OE1 GLN A 60 22.594 -40.641 -11.121 1.00 0.00 O ATOM 957 NE2 GLN A 60 22.804 -39.721 -9.152 1.00 0.00 N ATOM 0 H GLN A 60 19.508 -36.129 -10.326 1.00 0.00 H new ATOM 0 HA GLN A 60 22.116 -35.417 -11.135 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.209 -37.441 -9.821 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.595 -38.075 -11.336 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.918 -38.332 -12.195 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.559 -37.640 -10.718 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.899 -38.885 -8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.784 -40.642 -8.715 1.00 0.00 H new ATOM 966 N VAL A 61 20.223 -36.339 -13.688 1.00 0.00 N ATOM 967 CA VAL A 61 20.087 -36.154 -15.140 1.00 0.00 C ATOM 968 C VAL A 61 20.054 -34.668 -15.547 1.00 0.00 C ATOM 969 O VAL A 61 20.875 -34.294 -16.387 1.00 0.00 O ATOM 970 CB VAL A 61 18.864 -36.952 -15.704 1.00 0.00 C ATOM 971 CG1 VAL A 61 18.568 -36.702 -17.204 1.00 0.00 C ATOM 972 CG2 VAL A 61 19.091 -38.469 -15.552 1.00 0.00 C ATOM 0 H VAL A 61 19.399 -36.753 -13.251 1.00 0.00 H new ATOM 0 HA VAL A 61 20.984 -36.569 -15.599 1.00 0.00 H new ATOM 0 HB VAL A 61 18.017 -36.593 -15.119 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.706 -37.295 -17.508 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.355 -35.645 -17.362 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.435 -36.990 -17.799 1.00 0.00 H new ATOM 0 HG21 VAL A 61 18.231 -39.007 -15.949 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.986 -38.760 -16.101 1.00 0.00 H new ATOM 0 HG23 VAL A 61 19.217 -38.714 -14.497 1.00 0.00 H new ATOM 982 N ARG A 62 19.189 -33.800 -14.985 1.00 0.00 N ATOM 983 CA ARG A 62 19.095 -32.386 -15.397 1.00 0.00 C ATOM 984 C ARG A 62 20.368 -31.554 -15.117 1.00 0.00 C ATOM 985 O ARG A 62 20.611 -30.569 -15.817 1.00 0.00 O ATOM 986 CB ARG A 62 17.864 -31.664 -14.778 1.00 0.00 C ATOM 987 CG ARG A 62 16.480 -32.346 -14.914 1.00 0.00 C ATOM 988 CD ARG A 62 15.999 -32.744 -16.317 1.00 0.00 C ATOM 989 NE ARG A 62 14.622 -33.237 -16.176 1.00 0.00 N ATOM 990 CZ ARG A 62 14.239 -34.467 -15.958 1.00 0.00 C ATOM 991 NH1 ARG A 62 15.035 -35.459 -15.812 1.00 0.00 N ATOM 992 NH2 ARG A 62 12.995 -34.731 -15.862 1.00 0.00 N ATOM 0 H ARG A 62 18.542 -34.057 -14.240 1.00 0.00 H new ATOM 0 HA ARG A 62 18.974 -32.442 -16.479 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.062 -31.517 -13.716 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.795 -30.674 -15.229 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.491 -33.246 -14.299 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.735 -31.675 -14.485 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.035 -31.890 -16.994 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.643 -33.515 -16.741 1.00 0.00 H new ATOM 0 HE ARG A 62 13.881 -32.540 -16.258 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.044 -35.315 -15.863 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.661 -36.393 -15.644 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.306 -33.984 -15.955 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.689 -35.689 -15.692 1.00 0.00 H new ATOM 1006 N ALA A 63 21.178 -31.900 -14.102 1.00 0.00 N ATOM 1007 CA ALA A 63 22.515 -31.322 -13.916 1.00 0.00 C ATOM 1008 C ALA A 63 23.541 -31.758 -14.988 1.00 0.00 C ATOM 1009 O ALA A 63 24.484 -31.021 -15.284 1.00 0.00 O ATOM 1010 CB ALA A 63 23.016 -31.696 -12.507 1.00 0.00 C ATOM 0 H ALA A 63 20.923 -32.586 -13.391 1.00 0.00 H new ATOM 0 HA ALA A 63 22.423 -30.242 -14.027 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.009 -31.275 -12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 63 22.331 -31.297 -11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.063 -32.781 -12.414 1.00 0.00 H new ATOM 1016 N GLU A 64 23.376 -32.957 -15.563 1.00 0.00 N ATOM 1017 CA GLU A 64 24.210 -33.462 -16.654 1.00 0.00 C ATOM 1018 C GLU A 64 23.660 -33.063 -18.043 1.00 0.00 C ATOM 1019 O GLU A 64 24.415 -32.590 -18.893 1.00 0.00 O ATOM 1020 CB GLU A 64 24.290 -35.001 -16.488 1.00 0.00 C ATOM 1021 CG GLU A 64 25.277 -35.712 -17.463 1.00 0.00 C ATOM 1022 CD GLU A 64 25.234 -37.232 -17.307 1.00 0.00 C ATOM 1023 OE1 GLU A 64 24.339 -37.853 -17.878 1.00 0.00 O ATOM 1024 OE2 GLU A 64 26.102 -37.774 -16.627 1.00 0.00 O ATOM 0 H GLU A 64 22.647 -33.611 -15.276 1.00 0.00 H new ATOM 0 HA GLU A 64 25.204 -33.019 -16.602 1.00 0.00 H new ATOM 0 HB2 GLU A 64 24.587 -35.227 -15.464 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.294 -35.420 -16.631 1.00 0.00 H new ATOM 0 HG2 GLU A 64 25.028 -35.445 -18.490 1.00 0.00 H new ATOM 0 HG3 GLU A 64 26.290 -35.356 -17.277 1.00 0.00 H new ATOM 1031 N GLN A 65 22.357 -33.241 -18.303 1.00 0.00 N ATOM 1032 CA GLN A 65 21.751 -32.924 -19.600 1.00 0.00 C ATOM 1033 C GLN A 65 20.347 -32.283 -19.481 1.00 0.00 C ATOM 1034 O GLN A 65 20.102 -31.300 -20.181 1.00 0.00 O ATOM 1035 CB GLN A 65 21.729 -34.234 -20.459 1.00 0.00 C ATOM 1036 CG GLN A 65 21.404 -34.070 -21.983 1.00 0.00 C ATOM 1037 CD GLN A 65 19.917 -34.225 -22.322 1.00 0.00 C ATOM 1038 OE1 GLN A 65 19.475 -35.287 -22.738 1.00 0.00 O ATOM 1039 NE2 GLN A 65 19.076 -33.217 -22.197 1.00 0.00 N ATOM 0 H GLN A 65 21.695 -33.609 -17.619 1.00 0.00 H new ATOM 0 HA GLN A 65 22.356 -32.163 -20.093 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.702 -34.717 -20.369 1.00 0.00 H new ATOM 0 HB3 GLN A 65 20.995 -34.913 -20.026 1.00 0.00 H new ATOM 0 HG2 GLN A 65 21.741 -33.087 -22.312 1.00 0.00 H new ATOM 0 HG3 GLN A 65 21.974 -34.808 -22.547 1.00 0.00 H new ATOM 0 HE21 GLN A 65 19.408 -32.316 -21.853 1.00 0.00 H new ATOM 0 HE22 GLN A 65 18.094 -33.339 -22.444 1.00 0.00 H new ATOM 1048 N SER A 66 19.492 -32.785 -18.747 1.00 0.00 N TER 1049 SER A 66