USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 532 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 39 THR OG1 : rot 180:sc= 0.59 USER MOD Set 1.2: A 45 GLN : amide:sc= 0.664 K(o=1.3,f=0.71) USER MOD Set 2.1: A 7 LYS NZ :NH3+ 179:sc= -0.0093! (180deg=-1.15!) USER MOD Set 2.2: A 55 THR OG1 : rot -139:sc= 1.5 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0356 (180deg=-0.317) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 158:sc= -0.342 (180deg=-1.33) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -1:sc= 0.742 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 13 SER OG : rot 153:sc= -0.633 USER MOD Single : A 15 TYR OH : rot 3:sc= 1.01 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= -0.0805 (180deg=-0.423) USER MOD Single : A 28 MET CE :methyl -110:sc= -0.302 (180deg=-3.09!) USER MOD Single : A 30 ASN : amide:sc= -0.196 K(o=-0.2,f=-11!) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 0.901 (180deg=0.824) USER MOD Single : A 42 ASN : amide:sc= -0.476 K(o=-0.48,f=0.43) USER MOD Single : A 51 MET CE :methyl 175:sc= 0 (180deg=-0.0221) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.0628 (180deg=-0.265) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.122 0.926 -0.747 1.00 0.00 N ATOM 2 CA MET A 1 2.738 0.402 -0.701 1.00 0.00 C ATOM 3 C MET A 1 2.729 -1.060 -1.128 1.00 0.00 C ATOM 4 O MET A 1 2.528 -1.374 -2.303 1.00 0.00 O ATOM 5 CB MET A 1 1.815 1.225 -1.612 1.00 0.00 C ATOM 6 CG MET A 1 1.793 2.712 -1.295 1.00 0.00 C ATOM 7 SD MET A 1 0.728 3.638 -2.418 1.00 0.00 S ATOM 8 CE MET A 1 1.097 5.320 -1.923 1.00 0.00 C ATOM 0 H1 MET A 1 4.167 1.832 -0.238 1.00 0.00 H new ATOM 0 H2 MET A 1 4.766 0.244 -0.298 1.00 0.00 H new ATOM 0 H3 MET A 1 4.406 1.070 -1.737 1.00 0.00 H new ATOM 0 HA MET A 1 2.367 0.481 0.321 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.130 1.090 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.801 0.833 -1.533 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.450 2.857 -0.271 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.807 3.108 -1.351 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.514 6.014 -2.528 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.843 5.454 -0.871 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.159 5.517 -2.068 1.00 0.00 H new ATOM 18 N LYS A 2 2.959 -1.951 -0.170 1.00 0.00 N ATOM 19 CA LYS A 2 3.119 -3.373 -0.459 1.00 0.00 C ATOM 20 C LYS A 2 1.976 -4.189 0.152 1.00 0.00 C ATOM 21 O LYS A 2 1.824 -4.241 1.378 1.00 0.00 O ATOM 22 CB LYS A 2 4.469 -3.861 0.093 1.00 0.00 C ATOM 23 CG LYS A 2 4.862 -5.269 -0.352 1.00 0.00 C ATOM 24 CD LYS A 2 5.249 -5.322 -1.830 1.00 0.00 C ATOM 25 CE LYS A 2 6.506 -4.508 -2.122 1.00 0.00 C ATOM 26 NZ LYS A 2 6.928 -4.629 -3.542 1.00 0.00 N ATOM 0 H LYS A 2 3.039 -1.713 0.819 1.00 0.00 H new ATOM 0 HA LYS A 2 3.094 -3.513 -1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.248 -3.164 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.433 -3.834 1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.698 -5.619 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.031 -5.950 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.412 -6.359 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.424 -4.944 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.323 -3.460 -1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.315 -4.844 -1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.785 -4.061 -3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.128 -5.626 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.167 -4.285 -4.161 1.00 0.00 H new ATOM 40 N VAL A 3 1.169 -4.813 -0.705 1.00 0.00 N ATOM 41 CA VAL A 3 0.113 -5.721 -0.256 1.00 0.00 C ATOM 42 C VAL A 3 0.075 -6.961 -1.149 1.00 0.00 C ATOM 43 O VAL A 3 0.026 -6.859 -2.377 1.00 0.00 O ATOM 44 CB VAL A 3 -1.283 -5.035 -0.234 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.707 -4.583 -1.630 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.334 -5.959 0.383 1.00 0.00 C ATOM 0 H VAL A 3 1.226 -4.706 -1.718 1.00 0.00 H new ATOM 0 HA VAL A 3 0.347 -6.013 0.768 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.203 -4.145 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.687 -4.108 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.979 -3.871 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.758 -5.447 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.302 -5.457 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.403 -6.875 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.048 -6.204 1.406 1.00 0.00 H new ATOM 56 N MET A 4 0.118 -8.131 -0.528 1.00 0.00 N ATOM 57 CA MET A 4 0.121 -9.394 -1.258 1.00 0.00 C ATOM 58 C MET A 4 -1.265 -10.026 -1.229 1.00 0.00 C ATOM 59 O MET A 4 -1.737 -10.447 -0.171 1.00 0.00 O ATOM 60 CB MET A 4 1.154 -10.353 -0.646 1.00 0.00 C ATOM 61 CG MET A 4 1.218 -11.715 -1.329 1.00 0.00 C ATOM 62 SD MET A 4 2.547 -12.755 -0.686 1.00 0.00 S ATOM 63 CE MET A 4 2.565 -14.082 -1.891 1.00 0.00 C ATOM 0 H MET A 4 0.152 -8.234 0.486 1.00 0.00 H new ATOM 0 HA MET A 4 0.392 -9.198 -2.296 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.139 -9.888 -0.693 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.920 -10.498 0.409 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.265 -12.228 -1.198 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.359 -11.573 -2.401 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.537 -14.575 -1.874 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.787 -14.805 -1.647 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.382 -13.673 -2.885 1.00 0.00 H new ATOM 73 N ILE A 5 -1.923 -10.080 -2.383 1.00 0.00 N ATOM 74 CA ILE A 5 -3.230 -10.712 -2.477 1.00 0.00 C ATOM 75 C ILE A 5 -3.048 -12.224 -2.491 1.00 0.00 C ATOM 76 O ILE A 5 -2.424 -12.777 -3.397 1.00 0.00 O ATOM 77 CB ILE A 5 -4.008 -10.262 -3.739 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.128 -8.728 -3.776 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.393 -10.914 -3.781 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.820 -8.132 -2.564 1.00 0.00 C ATOM 0 H ILE A 5 -1.573 -9.695 -3.260 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.818 -10.407 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.454 -10.586 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.130 -8.298 -3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.676 -8.438 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.923 -10.585 -4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.284 -11.998 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.959 -10.623 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.864 -7.048 -2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.832 -8.531 -2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.262 -8.388 -1.664 1.00 0.00 H new ATOM 92 N ARG A 6 -3.591 -12.882 -1.482 1.00 0.00 N ATOM 93 CA ARG A 6 -3.359 -14.301 -1.272 1.00 0.00 C ATOM 94 C ARG A 6 -4.497 -15.118 -1.873 1.00 0.00 C ATOM 95 O ARG A 6 -5.658 -14.975 -1.480 1.00 0.00 O ATOM 96 CB ARG A 6 -3.234 -14.576 0.230 1.00 0.00 C ATOM 97 CG ARG A 6 -2.106 -13.797 0.905 1.00 0.00 C ATOM 98 CD ARG A 6 -0.735 -14.340 0.526 1.00 0.00 C ATOM 99 NE ARG A 6 -0.543 -15.719 0.990 1.00 0.00 N ATOM 100 CZ ARG A 6 0.645 -16.325 1.066 1.00 0.00 C ATOM 101 NH1 ARG A 6 1.755 -15.656 0.785 1.00 0.00 N ATOM 102 NH2 ARG A 6 0.723 -17.585 1.469 1.00 0.00 N ATOM 0 H ARG A 6 -4.202 -12.451 -0.788 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.433 -14.594 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.177 -14.327 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.069 -15.643 0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.171 -12.746 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.229 -13.845 1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.617 -14.302 -0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.039 -13.702 0.954 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.368 -16.248 1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.703 -14.675 0.510 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.660 -16.122 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.125 -18.093 1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.631 -18.047 1.527 1.00 0.00 H new ATOM 116 N LYS A 7 -4.154 -15.960 -2.843 1.00 0.00 N ATOM 117 CA LYS A 7 -5.127 -16.812 -3.510 1.00 0.00 C ATOM 118 C LYS A 7 -4.966 -18.254 -3.043 1.00 0.00 C ATOM 119 O LYS A 7 -3.904 -18.860 -3.214 1.00 0.00 O ATOM 120 CB LYS A 7 -4.958 -16.733 -5.036 1.00 0.00 C ATOM 121 CG LYS A 7 -5.015 -15.314 -5.606 1.00 0.00 C ATOM 122 CD LYS A 7 -6.306 -14.582 -5.240 1.00 0.00 C ATOM 123 CE LYS A 7 -7.550 -15.327 -5.713 1.00 0.00 C ATOM 124 NZ LYS A 7 -7.534 -15.591 -7.175 1.00 0.00 N ATOM 0 H LYS A 7 -3.199 -16.069 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.127 -16.462 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.003 -17.182 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.737 -17.332 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.162 -14.744 -5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.923 -15.359 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.353 -14.452 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.293 -13.585 -5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.629 -16.273 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.436 -14.744 -5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.392 -16.114 -7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.503 -14.688 -7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.695 -16.156 -7.417 1.00 0.00 H new ATOM 138 N THR A 8 -6.013 -18.784 -2.432 1.00 0.00 N ATOM 139 CA THR A 8 -6.030 -20.162 -1.963 1.00 0.00 C ATOM 140 C THR A 8 -7.420 -20.758 -2.189 1.00 0.00 C ATOM 141 O THR A 8 -8.394 -20.012 -2.336 1.00 0.00 O ATOM 142 CB THR A 8 -5.646 -20.230 -0.461 1.00 0.00 C ATOM 143 OG1 THR A 8 -4.357 -19.624 -0.265 1.00 0.00 O ATOM 144 CG2 THR A 8 -5.610 -21.667 0.056 1.00 0.00 C ATOM 0 H THR A 8 -6.876 -18.272 -2.247 1.00 0.00 H new ATOM 0 HA THR A 8 -5.297 -20.741 -2.525 1.00 0.00 H new ATOM 0 HB THR A 8 -6.410 -19.690 0.099 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.117 -19.666 0.684 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.337 -21.667 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.593 -22.122 -0.065 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.874 -22.239 -0.509 1.00 0.00 H new ATOM 152 N ALA A 9 -7.503 -22.088 -2.263 1.00 0.00 N ATOM 153 CA ALA A 9 -8.782 -22.778 -2.434 1.00 0.00 C ATOM 154 C ALA A 9 -9.824 -22.235 -1.454 1.00 0.00 C ATOM 155 O ALA A 9 -9.725 -22.479 -0.249 1.00 0.00 O ATOM 156 CB ALA A 9 -8.602 -24.283 -2.251 1.00 0.00 C ATOM 0 H ALA A 9 -6.696 -22.710 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.141 -22.594 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.562 -24.783 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.895 -24.657 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.221 -24.485 -1.250 1.00 0.00 H new ATOM 162 N THR A 10 -10.783 -21.469 -1.995 1.00 0.00 N ATOM 163 CA THR A 10 -11.844 -20.774 -1.242 1.00 0.00 C ATOM 164 C THR A 10 -11.302 -19.649 -0.343 1.00 0.00 C ATOM 165 O THR A 10 -11.899 -18.570 -0.270 1.00 0.00 O ATOM 166 CB THR A 10 -12.752 -21.732 -0.411 1.00 0.00 C ATOM 167 OG1 THR A 10 -11.998 -22.452 0.573 1.00 0.00 O ATOM 168 CG2 THR A 10 -13.472 -22.721 -1.321 1.00 0.00 C ATOM 0 H THR A 10 -10.846 -21.310 -3.001 1.00 0.00 H new ATOM 0 HA THR A 10 -12.467 -20.323 -2.014 1.00 0.00 H new ATOM 0 HB THR A 10 -13.487 -21.111 0.101 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.053 -22.200 0.510 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.099 -23.379 -0.719 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.094 -22.176 -2.031 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.738 -23.316 -1.864 1.00 0.00 H new ATOM 176 N GLY A 11 -10.179 -19.892 0.328 1.00 0.00 N ATOM 177 CA GLY A 11 -9.610 -18.907 1.227 1.00 0.00 C ATOM 178 C GLY A 11 -9.014 -17.720 0.493 1.00 0.00 C ATOM 179 O GLY A 11 -7.951 -17.829 -0.120 1.00 0.00 O ATOM 0 H GLY A 11 -9.650 -20.762 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.383 -18.556 1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.838 -19.379 1.834 1.00 0.00 H new ATOM 183 N HIS A 12 -9.714 -16.593 0.534 1.00 0.00 N ATOM 184 CA HIS A 12 -9.210 -15.350 -0.036 1.00 0.00 C ATOM 185 C HIS A 12 -8.755 -14.438 1.092 1.00 0.00 C ATOM 186 O HIS A 12 -9.540 -14.114 1.980 1.00 0.00 O ATOM 187 CB HIS A 12 -10.299 -14.646 -0.859 1.00 0.00 C ATOM 188 CG HIS A 12 -10.940 -15.524 -1.886 1.00 0.00 C ATOM 189 ND1 HIS A 12 -12.239 -15.967 -1.790 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.452 -16.042 -3.036 1.00 0.00 C ATOM 191 CE1 HIS A 12 -12.522 -16.720 -2.835 1.00 0.00 C ATOM 192 NE2 HIS A 12 -11.453 -16.783 -3.609 1.00 0.00 N ATOM 0 H HIS A 12 -10.638 -16.515 0.959 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.374 -15.577 -0.697 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.068 -14.272 -0.183 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.863 -13.780 -1.356 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.457 -15.898 -3.430 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.468 -17.204 -3.026 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.384 -17.298 -4.487 1.00 0.00 H new ATOM 201 N SER A 13 -7.496 -14.040 1.072 1.00 0.00 N ATOM 202 CA SER A 13 -6.966 -13.146 2.089 1.00 0.00 C ATOM 203 C SER A 13 -6.057 -12.103 1.450 1.00 0.00 C ATOM 204 O SER A 13 -5.596 -12.276 0.321 1.00 0.00 O ATOM 205 CB SER A 13 -6.214 -13.951 3.159 1.00 0.00 C ATOM 206 OG SER A 13 -5.237 -14.801 2.581 1.00 0.00 O ATOM 0 H SER A 13 -6.820 -14.321 0.362 1.00 0.00 H new ATOM 0 HA SER A 13 -7.793 -12.625 2.572 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.734 -13.267 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.924 -14.548 3.732 1.00 0.00 H new ATOM 0 HG SER A 13 -4.520 -14.963 3.229 1.00 0.00 H new ATOM 212 N ALA A 14 -5.822 -11.008 2.164 1.00 0.00 N ATOM 213 CA ALA A 14 -4.938 -9.956 1.684 1.00 0.00 C ATOM 214 C ALA A 14 -3.897 -9.634 2.746 1.00 0.00 C ATOM 215 O ALA A 14 -4.231 -9.181 3.843 1.00 0.00 O ATOM 216 CB ALA A 14 -5.734 -8.711 1.303 1.00 0.00 C ATOM 0 H ALA A 14 -6.233 -10.827 3.080 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.426 -10.307 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.053 -7.938 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.444 -8.960 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.275 -8.344 2.175 1.00 0.00 H new ATOM 222 N TYR A 15 -2.640 -9.894 2.418 1.00 0.00 N ATOM 223 CA TYR A 15 -1.538 -9.667 3.340 1.00 0.00 C ATOM 224 C TYR A 15 -1.031 -8.230 3.228 1.00 0.00 C ATOM 225 O TYR A 15 -0.334 -7.872 2.273 1.00 0.00 O ATOM 226 CB TYR A 15 -0.405 -10.668 3.060 1.00 0.00 C ATOM 227 CG TYR A 15 0.847 -10.443 3.888 1.00 0.00 C ATOM 228 CD1 TYR A 15 0.835 -10.607 5.270 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.042 -10.066 3.285 1.00 0.00 C ATOM 230 CE1 TYR A 15 1.977 -10.402 6.023 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.184 -9.860 4.031 1.00 0.00 C ATOM 232 CZ TYR A 15 3.149 -10.029 5.398 1.00 0.00 C ATOM 233 OH TYR A 15 4.290 -9.815 6.142 1.00 0.00 O ATOM 0 H TYR A 15 -2.357 -10.266 1.511 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.894 -9.820 4.359 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.773 -11.677 3.246 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.142 -10.615 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.081 -10.899 5.762 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.077 -9.932 2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.951 -10.533 7.095 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.103 -9.567 3.545 1.00 0.00 H new ATOM 0 HH TYR A 15 4.107 -10.010 7.085 1.00 0.00 H new ATOM 243 N VAL A 16 -1.409 -7.411 4.199 1.00 0.00 N ATOM 244 CA VAL A 16 -0.929 -6.040 4.294 1.00 0.00 C ATOM 245 C VAL A 16 0.518 -6.047 4.782 1.00 0.00 C ATOM 246 O VAL A 16 0.785 -6.007 5.990 1.00 0.00 O ATOM 247 CB VAL A 16 -1.814 -5.199 5.249 1.00 0.00 C ATOM 248 CG1 VAL A 16 -1.346 -3.747 5.299 1.00 0.00 C ATOM 249 CG2 VAL A 16 -3.284 -5.283 4.834 1.00 0.00 C ATOM 0 H VAL A 16 -2.056 -7.677 4.942 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.982 -5.582 3.306 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.716 -5.614 6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.986 -3.182 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.316 -3.709 5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.401 -3.312 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.889 -4.686 5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.398 -4.901 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.614 -6.321 4.870 1.00 0.00 H new ATOM 259 N ALA A 17 1.445 -6.125 3.833 1.00 0.00 N ATOM 260 CA ALA A 17 2.864 -6.303 4.132 1.00 0.00 C ATOM 261 C ALA A 17 3.410 -5.186 5.016 1.00 0.00 C ATOM 262 O ALA A 17 4.268 -5.428 5.865 1.00 0.00 O ATOM 263 CB ALA A 17 3.667 -6.401 2.842 1.00 0.00 C ATOM 0 H ALA A 17 1.236 -6.067 2.836 1.00 0.00 H new ATOM 0 HA ALA A 17 2.965 -7.234 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.723 -6.533 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.317 -7.253 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.537 -5.487 2.262 1.00 0.00 H new ATOM 269 N LYS A 18 2.901 -3.970 4.827 1.00 0.00 N ATOM 270 CA LYS A 18 3.391 -2.810 5.575 1.00 0.00 C ATOM 271 C LYS A 18 3.046 -2.908 7.063 1.00 0.00 C ATOM 272 O LYS A 18 3.562 -2.139 7.874 1.00 0.00 O ATOM 273 CB LYS A 18 2.854 -1.498 4.961 1.00 0.00 C ATOM 274 CG LYS A 18 1.326 -1.368 4.906 1.00 0.00 C ATOM 275 CD LYS A 18 0.716 -0.917 6.238 1.00 0.00 C ATOM 276 CE LYS A 18 1.241 0.448 6.676 1.00 0.00 C ATOM 277 NZ LYS A 18 0.647 0.883 7.967 1.00 0.00 N ATOM 0 H LYS A 18 2.153 -3.761 4.166 1.00 0.00 H new ATOM 0 HA LYS A 18 4.478 -2.802 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.251 -0.660 5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.245 -1.405 3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.055 -0.654 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.895 -2.328 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.369 -0.875 6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.940 -1.655 7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.326 0.406 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.017 1.187 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.029 1.814 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.386 0.948 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.882 0.192 8.708 1.00 0.00 H new ATOM 291 N LYS A 19 2.169 -3.847 7.418 1.00 0.00 N ATOM 292 CA LYS A 19 1.787 -4.054 8.818 1.00 0.00 C ATOM 293 C LYS A 19 1.965 -5.521 9.224 1.00 0.00 C ATOM 294 O LYS A 19 1.825 -5.866 10.399 1.00 0.00 O ATOM 295 CB LYS A 19 0.327 -3.629 9.048 1.00 0.00 C ATOM 296 CG LYS A 19 -0.064 -3.578 10.524 1.00 0.00 C ATOM 297 CD LYS A 19 -1.576 -3.535 10.726 1.00 0.00 C ATOM 298 CE LYS A 19 -1.939 -3.490 12.207 1.00 0.00 C ATOM 299 NZ LYS A 19 -1.256 -4.560 12.987 1.00 0.00 N ATOM 0 H LYS A 19 1.710 -4.476 6.759 1.00 0.00 H new ATOM 0 HA LYS A 19 2.441 -3.438 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.168 -2.647 8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.332 -4.325 8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.343 -4.451 11.035 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.386 -2.699 10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.987 -2.660 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.031 -4.411 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.669 -2.516 12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.018 -3.594 12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.702 -4.646 13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.337 -5.465 12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.251 -4.317 13.103 1.00 0.00 H new ATOM 313 N ASP A 20 2.265 -6.377 8.242 1.00 0.00 N ATOM 314 CA ASP A 20 2.405 -7.824 8.469 1.00 0.00 C ATOM 315 C ASP A 20 1.044 -8.443 8.823 1.00 0.00 C ATOM 316 O ASP A 20 0.952 -9.569 9.320 1.00 0.00 O ATOM 317 CB ASP A 20 3.453 -8.099 9.568 1.00 0.00 C ATOM 318 CG ASP A 20 3.723 -9.581 9.798 1.00 0.00 C ATOM 319 OD1 ASP A 20 4.304 -10.233 8.905 1.00 0.00 O ATOM 320 OD2 ASP A 20 3.368 -10.096 10.880 1.00 0.00 O ATOM 0 H ASP A 20 2.417 -6.093 7.274 1.00 0.00 H new ATOM 0 HA ASP A 20 2.757 -8.293 7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.387 -7.606 9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.114 -7.651 10.502 1.00 0.00 H new ATOM 325 N LEU A 21 -0.019 -7.705 8.521 1.00 0.00 N ATOM 326 CA LEU A 21 -1.382 -8.135 8.823 1.00 0.00 C ATOM 327 C LEU A 21 -1.941 -8.964 7.669 1.00 0.00 C ATOM 328 O LEU A 21 -1.792 -8.593 6.508 1.00 0.00 O ATOM 329 CB LEU A 21 -2.264 -6.894 9.093 1.00 0.00 C ATOM 330 CG LEU A 21 -3.775 -7.147 9.323 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.381 -6.044 10.188 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.535 -7.233 7.995 1.00 0.00 C ATOM 0 H LEU A 21 0.038 -6.796 8.062 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.378 -8.762 9.715 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.868 -6.380 9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.158 -6.212 8.249 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.870 -8.102 9.840 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.443 -6.241 10.337 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.877 -6.021 11.154 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.257 -5.082 9.691 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.592 -7.411 8.192 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.420 -6.297 7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.134 -8.052 7.399 1.00 0.00 H new ATOM 344 N GLU A 22 -2.577 -10.086 7.992 1.00 0.00 N ATOM 345 CA GLU A 22 -3.268 -10.892 6.989 1.00 0.00 C ATOM 346 C GLU A 22 -4.645 -11.288 7.509 1.00 0.00 C ATOM 347 O GLU A 22 -4.757 -12.071 8.454 1.00 0.00 O ATOM 348 CB GLU A 22 -2.474 -12.157 6.622 1.00 0.00 C ATOM 349 CG GLU A 22 -3.076 -12.917 5.437 1.00 0.00 C ATOM 350 CD GLU A 22 -2.476 -14.299 5.224 1.00 0.00 C ATOM 351 OE1 GLU A 22 -1.304 -14.517 5.594 1.00 0.00 O ATOM 352 OE2 GLU A 22 -3.179 -15.175 4.673 1.00 0.00 O ATOM 0 H GLU A 22 -2.629 -10.458 8.940 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.366 -10.286 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.447 -11.879 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.433 -12.818 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.151 -13.017 5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.937 -12.327 4.531 1.00 0.00 H new ATOM 359 N GLU A 23 -5.686 -10.732 6.906 1.00 0.00 N ATOM 360 CA GLU A 23 -7.059 -11.071 7.265 1.00 0.00 C ATOM 361 C GLU A 23 -7.767 -11.719 6.086 1.00 0.00 C ATOM 362 O GLU A 23 -7.343 -11.572 4.935 1.00 0.00 O ATOM 363 CB GLU A 23 -7.841 -9.827 7.704 1.00 0.00 C ATOM 364 CG GLU A 23 -7.405 -9.237 9.039 1.00 0.00 C ATOM 365 CD GLU A 23 -7.505 -10.229 10.188 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.547 -10.906 10.302 1.00 0.00 O ATOM 367 OE2 GLU A 23 -6.552 -10.328 10.985 1.00 0.00 O ATOM 0 H GLU A 23 -5.607 -10.040 6.161 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.020 -11.771 8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.741 -9.062 6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.899 -10.082 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.376 -8.887 8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.021 -8.366 9.264 1.00 0.00 H new ATOM 374 N LEU A 24 -8.845 -12.431 6.380 1.00 0.00 N ATOM 375 CA LEU A 24 -9.676 -13.026 5.348 1.00 0.00 C ATOM 376 C LEU A 24 -10.562 -11.969 4.699 1.00 0.00 C ATOM 377 O LEU A 24 -11.130 -11.110 5.382 1.00 0.00 O ATOM 378 CB LEU A 24 -10.541 -14.154 5.930 1.00 0.00 C ATOM 379 CG LEU A 24 -9.768 -15.393 6.408 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.722 -16.438 6.984 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.942 -15.979 5.266 1.00 0.00 C ATOM 0 H LEU A 24 -9.165 -12.611 7.332 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.020 -13.449 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.112 -13.756 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.261 -14.465 5.173 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.086 -15.089 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.153 -17.306 7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.261 -16.012 7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.434 -16.743 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.401 -16.856 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.604 -16.267 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.231 -15.233 4.911 1.00 0.00 H new ATOM 393 N ILE A 25 -10.644 -12.024 3.382 1.00 0.00 N ATOM 394 CA ILE A 25 -11.518 -11.152 2.618 1.00 0.00 C ATOM 395 C ILE A 25 -12.975 -11.564 2.820 1.00 0.00 C ATOM 396 O ILE A 25 -13.411 -12.606 2.320 1.00 0.00 O ATOM 397 CB ILE A 25 -11.156 -11.199 1.114 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.737 -10.637 0.895 1.00 0.00 C ATOM 399 CG2 ILE A 25 -12.190 -10.440 0.284 1.00 0.00 C ATOM 400 CD1 ILE A 25 -9.240 -10.744 -0.533 1.00 0.00 C ATOM 0 H ILE A 25 -10.106 -12.676 2.811 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.384 -10.130 2.973 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.167 -12.237 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.723 -9.589 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.044 -11.165 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.916 -10.486 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.172 -10.893 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.221 -9.399 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.235 -10.326 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.219 -11.792 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.908 -10.191 -1.193 1.00 0.00 H new ATOM 412 N VAL A 26 -13.711 -10.754 3.574 1.00 0.00 N ATOM 413 CA VAL A 26 -15.113 -11.039 3.884 1.00 0.00 C ATOM 414 C VAL A 26 -16.048 -10.333 2.907 1.00 0.00 C ATOM 415 O VAL A 26 -17.193 -10.751 2.717 1.00 0.00 O ATOM 416 CB VAL A 26 -15.472 -10.621 5.333 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.667 -11.436 6.341 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.249 -9.122 5.543 1.00 0.00 C ATOM 0 H VAL A 26 -13.360 -9.889 3.985 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.245 -12.117 3.788 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.530 -10.827 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.933 -11.129 7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.890 -12.495 6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.603 -11.267 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.508 -8.856 6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.202 -8.881 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.877 -8.560 4.852 1.00 0.00 H new ATOM 428 N GLU A 27 -15.551 -9.266 2.287 1.00 0.00 N ATOM 429 CA GLU A 27 -16.340 -8.485 1.341 1.00 0.00 C ATOM 430 C GLU A 27 -15.463 -8.020 0.187 1.00 0.00 C ATOM 431 O GLU A 27 -14.295 -7.673 0.384 1.00 0.00 O ATOM 432 CB GLU A 27 -16.974 -7.278 2.042 1.00 0.00 C ATOM 433 CG GLU A 27 -17.937 -6.487 1.164 1.00 0.00 C ATOM 434 CD GLU A 27 -18.441 -5.227 1.842 1.00 0.00 C ATOM 435 OE1 GLU A 27 -19.268 -5.334 2.769 1.00 0.00 O ATOM 436 OE2 GLU A 27 -18.005 -4.122 1.450 1.00 0.00 O ATOM 0 H GLU A 27 -14.601 -8.922 2.424 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.137 -9.116 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.507 -7.624 2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.182 -6.613 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.438 -6.220 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.786 -7.118 0.901 1.00 0.00 H new ATOM 443 N MET A 28 -16.028 -8.011 -1.014 1.00 0.00 N ATOM 444 CA MET A 28 -15.290 -7.651 -2.219 1.00 0.00 C ATOM 445 C MET A 28 -15.987 -6.497 -2.936 1.00 0.00 C ATOM 446 O MET A 28 -17.028 -6.007 -2.485 1.00 0.00 O ATOM 447 CB MET A 28 -15.189 -8.862 -3.167 1.00 0.00 C ATOM 448 CG MET A 28 -14.740 -10.158 -2.496 1.00 0.00 C ATOM 449 SD MET A 28 -15.961 -10.801 -1.328 1.00 0.00 S ATOM 450 CE MET A 28 -15.151 -12.293 -0.756 1.00 0.00 C ATOM 0 H MET A 28 -17.005 -8.252 -1.180 1.00 0.00 H new ATOM 0 HA MET A 28 -14.286 -7.341 -1.930 1.00 0.00 H new ATOM 0 HB2 MET A 28 -16.162 -9.026 -3.630 1.00 0.00 H new ATOM 0 HB3 MET A 28 -14.490 -8.622 -3.969 1.00 0.00 H new ATOM 0 HG2 MET A 28 -14.545 -10.909 -3.261 1.00 0.00 H new ATOM 0 HG3 MET A 28 -13.800 -9.984 -1.973 1.00 0.00 H new ATOM 0 HE1 MET A 28 -15.679 -13.165 -1.143 1.00 0.00 H new ATOM 0 HE2 MET A 28 -14.120 -12.306 -1.110 1.00 0.00 H new ATOM 0 HE3 MET A 28 -15.161 -12.317 0.334 1.00 0.00 H new ATOM 460 N GLU A 29 -15.381 -6.035 -4.023 1.00 0.00 N ATOM 461 CA GLU A 29 -16.043 -5.114 -4.941 1.00 0.00 C ATOM 462 C GLU A 29 -16.887 -5.919 -5.918 1.00 0.00 C ATOM 463 O GLU A 29 -18.098 -5.723 -6.037 1.00 0.00 O ATOM 464 CB GLU A 29 -15.012 -4.293 -5.717 1.00 0.00 C ATOM 465 CG GLU A 29 -15.624 -3.245 -6.644 1.00 0.00 C ATOM 466 CD GLU A 29 -16.275 -2.099 -5.887 1.00 0.00 C ATOM 467 OE1 GLU A 29 -17.454 -2.229 -5.492 1.00 0.00 O ATOM 468 OE2 GLU A 29 -15.602 -1.067 -5.682 1.00 0.00 O ATOM 0 H GLU A 29 -14.429 -6.284 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.671 -4.430 -4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.351 -3.795 -5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.394 -4.969 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.848 -2.848 -7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.367 -3.721 -7.283 1.00 0.00 H new ATOM 475 N ASN A 30 -16.219 -6.833 -6.609 1.00 0.00 N ATOM 476 CA ASN A 30 -16.865 -7.736 -7.552 1.00 0.00 C ATOM 477 C ASN A 30 -17.169 -9.051 -6.844 1.00 0.00 C ATOM 478 O ASN A 30 -16.339 -9.538 -6.077 1.00 0.00 O ATOM 479 CB ASN A 30 -15.938 -7.961 -8.764 1.00 0.00 C ATOM 480 CG ASN A 30 -16.511 -8.859 -9.860 1.00 0.00 C ATOM 481 OD1 ASN A 30 -17.168 -9.865 -9.599 1.00 0.00 O ATOM 482 ND2 ASN A 30 -16.260 -8.497 -11.108 1.00 0.00 N ATOM 0 H ASN A 30 -15.211 -6.969 -6.531 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.799 -7.306 -7.913 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.694 -6.992 -9.200 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.003 -8.396 -8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.615 -9.058 -11.883 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.712 -7.657 -11.295 1.00 0.00 H new ATOM 489 N PRO A 31 -18.366 -9.627 -7.074 1.00 0.00 N ATOM 490 CA PRO A 31 -18.775 -10.918 -6.495 1.00 0.00 C ATOM 491 C PRO A 31 -17.677 -11.989 -6.576 1.00 0.00 C ATOM 492 O PRO A 31 -17.687 -12.959 -5.814 1.00 0.00 O ATOM 493 CB PRO A 31 -20.004 -11.318 -7.343 1.00 0.00 C ATOM 494 CG PRO A 31 -20.068 -10.313 -8.451 1.00 0.00 C ATOM 495 CD PRO A 31 -19.438 -9.070 -7.906 1.00 0.00 C ATOM 0 HA PRO A 31 -18.987 -10.833 -5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.898 -12.329 -7.736 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.915 -11.302 -6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -19.535 -10.668 -9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -21.099 -10.129 -8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -19.052 -8.426 -8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -20.142 -8.474 -7.324 1.00 0.00 H new ATOM 503 N ALA A 32 -16.745 -11.813 -7.511 1.00 0.00 N ATOM 504 CA ALA A 32 -15.576 -12.676 -7.607 1.00 0.00 C ATOM 505 C ALA A 32 -14.515 -12.239 -6.600 1.00 0.00 C ATOM 506 O ALA A 32 -14.254 -12.938 -5.617 1.00 0.00 O ATOM 507 CB ALA A 32 -15.001 -12.657 -9.017 1.00 0.00 C ATOM 0 H ALA A 32 -16.780 -11.076 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.885 -13.696 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.129 -13.309 -9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.754 -13.008 -9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.708 -11.640 -9.277 1.00 0.00 H new ATOM 513 N LEU A 33 -13.915 -11.069 -6.845 1.00 0.00 N ATOM 514 CA LEU A 33 -12.867 -10.542 -5.974 1.00 0.00 C ATOM 515 C LEU A 33 -12.392 -9.166 -6.459 1.00 0.00 C ATOM 516 O LEU A 33 -12.755 -8.133 -5.889 1.00 0.00 O ATOM 517 CB LEU A 33 -11.679 -11.521 -5.918 1.00 0.00 C ATOM 518 CG LEU A 33 -10.685 -11.289 -4.765 1.00 0.00 C ATOM 519 CD1 LEU A 33 -11.381 -11.438 -3.414 1.00 0.00 C ATOM 520 CD2 LEU A 33 -9.497 -12.247 -4.867 1.00 0.00 C ATOM 0 H LEU A 33 -14.140 -10.471 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.283 -10.428 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.070 -12.536 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.136 -11.461 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.307 -10.270 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.661 -11.270 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.186 -10.707 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.794 -12.443 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.809 -12.063 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.854 -13.276 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.980 -12.086 -5.813 1.00 0.00 H new ATOM 532 N TRP A 34 -11.599 -9.169 -7.532 1.00 0.00 N ATOM 533 CA TRP A 34 -10.996 -7.947 -8.074 1.00 0.00 C ATOM 534 C TRP A 34 -12.055 -7.081 -8.761 1.00 0.00 C ATOM 535 O TRP A 34 -12.904 -7.601 -9.487 1.00 0.00 O ATOM 536 CB TRP A 34 -9.880 -8.315 -9.071 1.00 0.00 C ATOM 537 CG TRP A 34 -8.768 -9.127 -8.460 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.858 -10.391 -7.949 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.396 -8.734 -8.307 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.637 -10.798 -7.470 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.723 -9.800 -7.679 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.674 -7.586 -8.631 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.365 -9.745 -7.371 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.328 -7.533 -8.329 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.687 -8.607 -7.703 1.00 0.00 C ATOM 0 H TRP A 34 -11.357 -10.014 -8.049 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.567 -7.374 -7.252 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -10.314 -8.875 -9.899 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.462 -7.399 -9.490 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.760 -10.985 -7.925 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.443 -11.697 -7.030 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.161 -6.750 -9.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.867 -10.572 -6.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.761 -6.649 -8.580 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.633 -8.535 -7.477 1.00 0.00 H new ATOM 556 N GLY A 35 -12.003 -5.766 -8.535 1.00 0.00 N ATOM 557 CA GLY A 35 -12.985 -4.875 -9.137 1.00 0.00 C ATOM 558 C GLY A 35 -12.771 -3.413 -8.780 1.00 0.00 C ATOM 559 O GLY A 35 -12.924 -2.530 -9.628 1.00 0.00 O ATOM 0 H GLY A 35 -11.305 -5.306 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.949 -4.986 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.983 -5.177 -8.818 1.00 0.00 H new ATOM 563 N GLY A 36 -12.423 -3.154 -7.525 1.00 0.00 N ATOM 564 CA GLY A 36 -12.261 -1.786 -7.062 1.00 0.00 C ATOM 565 C GLY A 36 -11.757 -1.727 -5.635 1.00 0.00 C ATOM 566 O GLY A 36 -10.612 -1.364 -5.393 1.00 0.00 O ATOM 0 H GLY A 36 -12.249 -3.868 -6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.563 -1.262 -7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.215 -1.264 -7.131 1.00 0.00 H new ATOM 570 N LYS A 37 -12.616 -2.083 -4.687 1.00 0.00 N ATOM 571 CA LYS A 37 -12.232 -2.146 -3.276 1.00 0.00 C ATOM 572 C LYS A 37 -12.423 -3.555 -2.715 1.00 0.00 C ATOM 573 O LYS A 37 -13.095 -4.394 -3.320 1.00 0.00 O ATOM 574 CB LYS A 37 -13.029 -1.112 -2.454 1.00 0.00 C ATOM 575 CG LYS A 37 -14.554 -1.203 -2.586 1.00 0.00 C ATOM 576 CD LYS A 37 -15.169 -2.337 -1.759 1.00 0.00 C ATOM 577 CE LYS A 37 -16.687 -2.389 -1.918 1.00 0.00 C ATOM 578 NZ LYS A 37 -17.310 -3.442 -1.070 1.00 0.00 N ATOM 0 H LYS A 37 -13.588 -2.334 -4.868 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.172 -1.902 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.765 -1.227 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.714 -0.113 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.995 -0.256 -2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.813 -1.347 -3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.737 -3.289 -2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.917 -2.199 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.110 -1.419 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.934 -2.575 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.345 -3.340 -1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.046 -4.381 -1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.975 -3.342 -0.090 1.00 0.00 H new ATOM 592 N VAL A 38 -11.819 -3.806 -1.562 1.00 0.00 N ATOM 593 CA VAL A 38 -11.974 -5.069 -0.856 1.00 0.00 C ATOM 594 C VAL A 38 -11.901 -4.817 0.654 1.00 0.00 C ATOM 595 O VAL A 38 -11.193 -3.912 1.098 1.00 0.00 O ATOM 596 CB VAL A 38 -10.894 -6.100 -1.288 1.00 0.00 C ATOM 597 CG1 VAL A 38 -9.489 -5.630 -0.917 1.00 0.00 C ATOM 598 CG2 VAL A 38 -11.184 -7.469 -0.691 1.00 0.00 C ATOM 0 H VAL A 38 -11.208 -3.140 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.946 -5.492 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.935 -6.185 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.760 -6.376 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.279 -4.683 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.424 -5.495 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.415 -8.174 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.187 -7.398 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.158 -7.817 -1.034 1.00 0.00 H new ATOM 608 N THR A 39 -12.638 -5.599 1.437 1.00 0.00 N ATOM 609 CA THR A 39 -12.692 -5.407 2.886 1.00 0.00 C ATOM 610 C THR A 39 -12.236 -6.665 3.626 1.00 0.00 C ATOM 611 O THR A 39 -12.658 -7.784 3.310 1.00 0.00 O ATOM 612 CB THR A 39 -14.118 -5.021 3.339 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.561 -3.867 2.608 1.00 0.00 O ATOM 614 CG2 THR A 39 -14.165 -4.725 4.839 1.00 0.00 C ATOM 0 H THR A 39 -13.207 -6.373 1.094 1.00 0.00 H new ATOM 0 HA THR A 39 -12.012 -4.592 3.133 1.00 0.00 H new ATOM 0 HB THR A 39 -14.777 -5.865 3.137 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.466 -3.625 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.182 -4.457 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.853 -5.610 5.394 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.493 -3.897 5.068 1.00 0.00 H new ATOM 622 N LEU A 40 -11.366 -6.464 4.611 1.00 0.00 N ATOM 623 CA LEU A 40 -10.809 -7.550 5.406 1.00 0.00 C ATOM 624 C LEU A 40 -11.647 -7.793 6.658 1.00 0.00 C ATOM 625 O LEU A 40 -12.333 -6.893 7.145 1.00 0.00 O ATOM 626 CB LEU A 40 -9.356 -7.235 5.800 1.00 0.00 C ATOM 627 CG LEU A 40 -8.319 -7.323 4.665 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.389 -8.686 3.979 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.498 -6.192 3.652 1.00 0.00 C ATOM 0 H LEU A 40 -11.027 -5.540 4.880 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.824 -8.455 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.323 -6.229 6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.058 -7.921 6.593 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.330 -7.210 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.649 -8.730 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.183 -9.471 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.385 -8.832 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.749 -6.286 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.494 -6.251 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.378 -5.232 4.154 1.00 0.00 H new ATOM 641 N ALA A 41 -11.559 -9.013 7.179 1.00 0.00 N ATOM 642 CA ALA A 41 -12.341 -9.450 8.337 1.00 0.00 C ATOM 643 C ALA A 41 -12.214 -8.506 9.537 1.00 0.00 C ATOM 644 O ALA A 41 -13.174 -8.309 10.284 1.00 0.00 O ATOM 645 CB ALA A 41 -11.896 -10.849 8.740 1.00 0.00 C ATOM 0 H ALA A 41 -10.939 -9.734 6.809 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.390 -9.445 8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.475 -11.181 9.602 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.057 -11.536 7.909 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.837 -10.834 8.998 1.00 0.00 H new ATOM 651 N ASN A 42 -11.036 -7.921 9.715 1.00 0.00 N ATOM 652 CA ASN A 42 -10.746 -7.143 10.921 1.00 0.00 C ATOM 653 C ASN A 42 -11.122 -5.667 10.740 1.00 0.00 C ATOM 654 O ASN A 42 -10.978 -4.862 11.658 1.00 0.00 O ATOM 655 CB ASN A 42 -9.260 -7.291 11.293 1.00 0.00 C ATOM 656 CG ASN A 42 -8.991 -7.126 12.785 1.00 0.00 C ATOM 657 OD1 ASN A 42 -9.677 -6.377 13.484 1.00 0.00 O ATOM 658 ND2 ASN A 42 -7.986 -7.834 13.285 1.00 0.00 N ATOM 0 H ASN A 42 -10.268 -7.968 9.046 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.355 -7.533 11.737 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.909 -8.273 10.974 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.680 -6.551 10.742 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.760 -7.768 14.277 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.440 -8.444 12.677 1.00 0.00 H new ATOM 665 N GLY A 43 -11.606 -5.311 9.550 1.00 0.00 N ATOM 666 CA GLY A 43 -12.095 -3.957 9.318 1.00 0.00 C ATOM 667 C GLY A 43 -11.288 -3.190 8.286 1.00 0.00 C ATOM 668 O GLY A 43 -11.820 -2.291 7.628 1.00 0.00 O ATOM 0 H GLY A 43 -11.669 -5.933 8.744 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.134 -4.005 8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.081 -3.408 10.260 1.00 0.00 H new ATOM 672 N TRP A 44 -10.008 -3.533 8.146 1.00 0.00 N ATOM 673 CA TRP A 44 -9.131 -2.871 7.174 1.00 0.00 C ATOM 674 C TRP A 44 -9.678 -3.035 5.758 1.00 0.00 C ATOM 675 O TRP A 44 -10.186 -4.097 5.404 1.00 0.00 O ATOM 676 CB TRP A 44 -7.700 -3.434 7.249 1.00 0.00 C ATOM 677 CG TRP A 44 -6.868 -2.857 8.361 1.00 0.00 C ATOM 678 CD1 TRP A 44 -5.892 -1.906 8.242 1.00 0.00 C ATOM 679 CD2 TRP A 44 -6.931 -3.191 9.754 1.00 0.00 C ATOM 680 NE1 TRP A 44 -5.342 -1.636 9.471 1.00 0.00 N ATOM 681 CE2 TRP A 44 -5.964 -2.408 10.414 1.00 0.00 C ATOM 682 CE3 TRP A 44 -7.710 -4.072 10.506 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -5.756 -2.485 11.787 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -7.502 -4.146 11.870 1.00 0.00 C ATOM 685 CH2 TRP A 44 -6.533 -3.357 12.499 1.00 0.00 C ATOM 0 H TRP A 44 -9.553 -4.265 8.692 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.100 -1.810 7.422 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.753 -4.516 7.374 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.198 -3.247 6.300 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.597 -1.436 7.316 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.592 -0.969 9.651 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -8.462 -4.685 10.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.007 -1.878 12.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -8.098 -4.825 12.461 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.396 -3.438 13.567 1.00 0.00 H new ATOM 696 N GLN A 45 -9.582 -1.979 4.959 1.00 0.00 N ATOM 697 CA GLN A 45 -10.037 -2.021 3.574 1.00 0.00 C ATOM 698 C GLN A 45 -8.883 -1.675 2.638 1.00 0.00 C ATOM 699 O GLN A 45 -8.036 -0.838 2.961 1.00 0.00 O ATOM 700 CB GLN A 45 -11.214 -1.059 3.355 1.00 0.00 C ATOM 701 CG GLN A 45 -12.418 -1.344 4.250 1.00 0.00 C ATOM 702 CD GLN A 45 -13.629 -0.494 3.901 1.00 0.00 C ATOM 703 OE1 GLN A 45 -13.801 0.613 4.418 1.00 0.00 O ATOM 704 NE2 GLN A 45 -14.483 -1.011 3.031 1.00 0.00 N ATOM 0 H GLN A 45 -9.192 -1.081 5.247 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.383 -3.031 3.352 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.875 -0.038 3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.527 -1.114 2.312 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.684 -2.398 4.168 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.142 -1.165 5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.305 -1.930 2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.319 -0.490 2.766 1.00 0.00 H new ATOM 713 N LEU A 46 -8.859 -2.329 1.486 1.00 0.00 N ATOM 714 CA LEU A 46 -7.785 -2.167 0.511 1.00 0.00 C ATOM 715 C LEU A 46 -8.406 -1.989 -0.876 1.00 0.00 C ATOM 716 O LEU A 46 -9.411 -2.625 -1.195 1.00 0.00 O ATOM 717 CB LEU A 46 -6.865 -3.411 0.564 1.00 0.00 C ATOM 718 CG LEU A 46 -5.430 -3.261 0.004 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.422 -3.113 -1.515 1.00 0.00 C ATOM 720 CD2 LEU A 46 -4.711 -2.089 0.670 1.00 0.00 C ATOM 0 H LEU A 46 -9.583 -2.988 1.199 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.182 -1.287 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.789 -3.729 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.357 -4.217 0.019 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.890 -4.178 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.395 -3.011 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.874 -3.995 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.992 -2.228 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.704 -2.001 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.262 -1.168 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.653 -2.261 1.745 1.00 0.00 H new ATOM 732 N GLU A 47 -7.838 -1.105 -1.683 1.00 0.00 N ATOM 733 CA GLU A 47 -8.332 -0.880 -3.039 1.00 0.00 C ATOM 734 C GLU A 47 -7.779 -1.951 -3.982 1.00 0.00 C ATOM 735 O GLU A 47 -6.576 -1.998 -4.250 1.00 0.00 O ATOM 736 CB GLU A 47 -7.945 0.524 -3.518 1.00 0.00 C ATOM 737 CG GLU A 47 -8.558 0.915 -4.857 1.00 0.00 C ATOM 738 CD GLU A 47 -8.220 2.342 -5.257 1.00 0.00 C ATOM 739 OE1 GLU A 47 -8.969 3.263 -4.874 1.00 0.00 O ATOM 740 OE2 GLU A 47 -7.202 2.549 -5.955 1.00 0.00 O ATOM 0 H GLU A 47 -7.035 -0.531 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.420 -0.951 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.250 1.250 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.859 0.583 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.204 0.231 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.641 0.803 -4.804 1.00 0.00 H new ATOM 747 N LEU A 48 -8.668 -2.813 -4.473 1.00 0.00 N ATOM 748 CA LEU A 48 -8.288 -3.946 -5.311 1.00 0.00 C ATOM 749 C LEU A 48 -8.780 -3.733 -6.747 1.00 0.00 C ATOM 750 O LEU A 48 -9.934 -4.046 -7.065 1.00 0.00 O ATOM 751 CB LEU A 48 -8.884 -5.240 -4.733 1.00 0.00 C ATOM 752 CG LEU A 48 -8.363 -6.543 -5.359 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.852 -6.656 -5.178 1.00 0.00 C ATOM 754 CD2 LEU A 48 -9.074 -7.750 -4.750 1.00 0.00 C ATOM 0 H LEU A 48 -9.671 -2.745 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.201 -4.029 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.683 -5.266 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.967 -5.207 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.578 -6.524 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.500 -7.585 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.363 -5.811 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.612 -6.654 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.693 -8.664 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.892 -7.776 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.145 -7.672 -4.934 1.00 0.00 H new ATOM 766 N PRO A 49 -7.915 -3.197 -7.635 1.00 0.00 N ATOM 767 CA PRO A 49 -8.299 -2.853 -9.013 1.00 0.00 C ATOM 768 C PRO A 49 -8.663 -4.087 -9.839 1.00 0.00 C ATOM 769 O PRO A 49 -8.156 -5.182 -9.595 1.00 0.00 O ATOM 770 CB PRO A 49 -7.041 -2.168 -9.588 1.00 0.00 C ATOM 771 CG PRO A 49 -6.203 -1.829 -8.397 1.00 0.00 C ATOM 772 CD PRO A 49 -6.493 -2.899 -7.382 1.00 0.00 C ATOM 0 HA PRO A 49 -9.186 -2.221 -9.038 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.508 -2.831 -10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.303 -1.274 -10.153 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.144 -1.810 -8.655 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.454 -0.842 -8.009 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.862 -3.776 -7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.326 -2.549 -6.363 1.00 0.00 H new ATOM 780 N ALA A 50 -9.541 -3.906 -10.819 1.00 0.00 N ATOM 781 CA ALA A 50 -9.968 -5.000 -11.681 1.00 0.00 C ATOM 782 C ALA A 50 -8.867 -5.354 -12.682 1.00 0.00 C ATOM 783 O ALA A 50 -8.872 -4.886 -13.823 1.00 0.00 O ATOM 784 CB ALA A 50 -11.267 -4.646 -12.400 1.00 0.00 C ATOM 0 H ALA A 50 -9.972 -3.008 -11.036 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.157 -5.875 -11.059 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.568 -5.477 -13.038 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.048 -4.452 -11.665 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.114 -3.756 -13.011 1.00 0.00 H new ATOM 790 N MET A 51 -7.896 -6.140 -12.224 1.00 0.00 N ATOM 791 CA MET A 51 -6.799 -6.599 -13.075 1.00 0.00 C ATOM 792 C MET A 51 -7.116 -7.980 -13.645 1.00 0.00 C ATOM 793 O MET A 51 -7.268 -8.144 -14.856 1.00 0.00 O ATOM 794 CB MET A 51 -5.483 -6.639 -12.278 1.00 0.00 C ATOM 795 CG MET A 51 -4.984 -5.265 -11.847 1.00 0.00 C ATOM 796 SD MET A 51 -4.516 -4.223 -13.248 1.00 0.00 S ATOM 797 CE MET A 51 -4.089 -2.691 -12.417 1.00 0.00 C ATOM 0 H MET A 51 -7.846 -6.475 -11.262 1.00 0.00 H new ATOM 0 HA MET A 51 -6.682 -5.898 -13.901 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.624 -7.258 -11.392 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.716 -7.120 -12.885 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.762 -4.764 -11.271 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.126 -5.385 -11.186 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.696 -1.980 -13.144 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.978 -2.273 -11.945 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.333 -2.888 -11.657 1.00 0.00 H new ATOM 807 N ALA A 52 -7.233 -8.963 -12.756 1.00 0.00 N ATOM 808 CA ALA A 52 -7.552 -10.333 -13.146 1.00 0.00 C ATOM 809 C ALA A 52 -8.434 -10.986 -12.085 1.00 0.00 C ATOM 810 O ALA A 52 -7.993 -11.221 -10.961 1.00 0.00 O ATOM 811 CB ALA A 52 -6.276 -11.141 -13.358 1.00 0.00 C ATOM 0 H ALA A 52 -7.110 -8.834 -11.752 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.099 -10.311 -14.089 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.534 -12.159 -13.648 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.680 -10.680 -14.145 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.701 -11.162 -12.432 1.00 0.00 H new ATOM 817 N ALA A 53 -9.681 -11.266 -12.449 1.00 0.00 N ATOM 818 CA ALA A 53 -10.657 -11.827 -11.518 1.00 0.00 C ATOM 819 C ALA A 53 -10.213 -13.193 -10.997 1.00 0.00 C ATOM 820 O ALA A 53 -10.324 -13.479 -9.801 1.00 0.00 O ATOM 821 CB ALA A 53 -12.023 -11.930 -12.190 1.00 0.00 C ATOM 0 H ALA A 53 -10.043 -11.112 -13.390 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.731 -11.156 -10.662 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.743 -12.349 -11.488 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.352 -10.938 -12.499 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.950 -12.577 -13.065 1.00 0.00 H new ATOM 827 N ASP A 54 -9.702 -14.027 -11.898 1.00 0.00 N ATOM 828 CA ASP A 54 -9.299 -15.389 -11.549 1.00 0.00 C ATOM 829 C ASP A 54 -8.041 -15.393 -10.678 1.00 0.00 C ATOM 830 O ASP A 54 -8.058 -15.952 -9.582 1.00 0.00 O ATOM 831 CB ASP A 54 -9.088 -16.239 -12.815 1.00 0.00 C ATOM 832 CG ASP A 54 -8.049 -15.654 -13.759 1.00 0.00 C ATOM 833 OD1 ASP A 54 -8.390 -14.721 -14.516 1.00 0.00 O ATOM 834 OD2 ASP A 54 -6.890 -16.114 -13.745 1.00 0.00 O ATOM 0 H ASP A 54 -9.556 -13.784 -12.878 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.107 -15.834 -10.968 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.781 -17.244 -12.524 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.037 -16.336 -13.343 1.00 0.00 H new ATOM 839 N THR A 55 -6.970 -14.750 -11.163 1.00 0.00 N ATOM 840 CA THR A 55 -5.673 -14.713 -10.470 1.00 0.00 C ATOM 841 C THR A 55 -5.303 -16.079 -9.866 1.00 0.00 C ATOM 842 O THR A 55 -5.614 -16.363 -8.706 1.00 0.00 O ATOM 843 CB THR A 55 -5.623 -13.603 -9.380 1.00 0.00 C ATOM 844 OG1 THR A 55 -6.909 -13.452 -8.752 1.00 0.00 O ATOM 845 CG2 THR A 55 -5.185 -12.270 -9.978 1.00 0.00 C ATOM 0 H THR A 55 -6.977 -14.241 -12.047 1.00 0.00 H new ATOM 0 HA THR A 55 -4.930 -14.469 -11.229 1.00 0.00 H new ATOM 0 HB THR A 55 -4.893 -13.907 -8.630 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.098 -12.500 -8.618 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.158 -11.511 -9.196 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.192 -12.376 -10.415 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.891 -11.969 -10.752 1.00 0.00 H new ATOM 853 N PRO A 56 -4.630 -16.943 -10.653 1.00 0.00 N ATOM 854 CA PRO A 56 -4.332 -18.325 -10.246 1.00 0.00 C ATOM 855 C PRO A 56 -3.282 -18.407 -9.136 1.00 0.00 C ATOM 856 O PRO A 56 -3.201 -19.406 -8.419 1.00 0.00 O ATOM 857 CB PRO A 56 -3.807 -18.967 -11.539 1.00 0.00 C ATOM 858 CG PRO A 56 -3.229 -17.829 -12.312 1.00 0.00 C ATOM 859 CD PRO A 56 -4.096 -16.638 -11.998 1.00 0.00 C ATOM 0 HA PRO A 56 -5.208 -18.822 -9.829 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.054 -19.727 -11.328 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.608 -19.457 -12.093 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.194 -17.646 -12.024 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.229 -18.042 -13.381 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.521 -15.712 -12.001 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.895 -16.520 -12.730 1.00 0.00 H new ATOM 867 N LEU A 57 -2.490 -17.349 -8.993 1.00 0.00 N ATOM 868 CA LEU A 57 -1.417 -17.312 -8.002 1.00 0.00 C ATOM 869 C LEU A 57 -1.551 -16.077 -7.108 1.00 0.00 C ATOM 870 O LEU A 57 -2.151 -15.076 -7.514 1.00 0.00 O ATOM 871 CB LEU A 57 -0.042 -17.364 -8.708 1.00 0.00 C ATOM 872 CG LEU A 57 0.187 -16.353 -9.857 1.00 0.00 C ATOM 873 CD1 LEU A 57 0.456 -14.945 -9.327 1.00 0.00 C ATOM 874 CD2 LEU A 57 1.332 -16.815 -10.756 1.00 0.00 C ATOM 0 H LEU A 57 -2.571 -16.501 -9.554 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.496 -18.188 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.732 -17.207 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.099 -18.369 -9.106 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.729 -16.312 -10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.612 -14.265 -10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.398 -14.608 -8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.347 -14.957 -8.699 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.479 -16.092 -11.558 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.246 -16.896 -10.168 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.089 -17.788 -11.184 1.00 0.00 H new ATOM 886 N PRO A 58 -1.027 -16.140 -5.864 1.00 0.00 N ATOM 887 CA PRO A 58 -1.042 -15.000 -4.945 1.00 0.00 C ATOM 888 C PRO A 58 -0.136 -13.867 -5.434 1.00 0.00 C ATOM 889 O PRO A 58 1.075 -13.872 -5.200 1.00 0.00 O ATOM 890 CB PRO A 58 -0.538 -15.589 -3.616 1.00 0.00 C ATOM 891 CG PRO A 58 0.259 -16.786 -4.010 1.00 0.00 C ATOM 892 CD PRO A 58 -0.398 -17.332 -5.253 1.00 0.00 C ATOM 0 HA PRO A 58 -2.032 -14.552 -4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.072 -14.869 -3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.368 -15.863 -2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.297 -16.517 -4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.266 -17.530 -3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.329 -17.790 -5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.136 -18.097 -5.014 1.00 0.00 H new ATOM 900 N ILE A 59 -0.734 -12.917 -6.139 1.00 0.00 N ATOM 901 CA ILE A 59 -0.001 -11.797 -6.722 1.00 0.00 C ATOM 902 C ILE A 59 0.085 -10.628 -5.739 1.00 0.00 C ATOM 903 O ILE A 59 -0.853 -10.364 -4.981 1.00 0.00 O ATOM 904 CB ILE A 59 -0.668 -11.322 -8.044 1.00 0.00 C ATOM 905 CG1 ILE A 59 0.066 -10.096 -8.625 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.148 -11.018 -7.821 1.00 0.00 C ATOM 907 CD1 ILE A 59 -0.546 -9.561 -9.905 1.00 0.00 C ATOM 0 H ILE A 59 -1.737 -12.899 -6.324 1.00 0.00 H new ATOM 0 HA ILE A 59 1.008 -12.146 -6.943 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.593 -12.130 -8.771 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.073 -9.302 -7.878 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.105 -10.364 -8.815 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.597 -10.687 -8.758 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.656 -11.918 -7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.249 -10.232 -7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.027 -8.700 -10.250 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.529 -10.338 -10.669 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.577 -9.260 -9.717 1.00 0.00 H new ATOM 919 N THR A 60 1.220 -9.940 -5.750 1.00 0.00 N ATOM 920 CA THR A 60 1.424 -8.764 -4.917 1.00 0.00 C ATOM 921 C THR A 60 1.165 -7.496 -5.733 1.00 0.00 C ATOM 922 O THR A 60 1.682 -7.353 -6.844 1.00 0.00 O ATOM 923 CB THR A 60 2.861 -8.739 -4.348 1.00 0.00 C ATOM 924 OG1 THR A 60 3.148 -9.991 -3.706 1.00 0.00 O ATOM 925 CG2 THR A 60 3.042 -7.602 -3.348 1.00 0.00 C ATOM 0 H THR A 60 2.021 -10.181 -6.334 1.00 0.00 H new ATOM 0 HA THR A 60 0.723 -8.806 -4.083 1.00 0.00 H new ATOM 0 HB THR A 60 3.550 -8.578 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.060 -9.973 -3.348 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.063 -7.612 -2.966 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.848 -6.649 -3.841 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.344 -7.731 -2.521 1.00 0.00 H new ATOM 933 N VAL A 61 0.357 -6.587 -5.190 1.00 0.00 N ATOM 934 CA VAL A 61 -0.012 -5.359 -5.893 1.00 0.00 C ATOM 935 C VAL A 61 0.280 -4.125 -5.040 1.00 0.00 C ATOM 936 O VAL A 61 0.713 -4.235 -3.888 1.00 0.00 O ATOM 937 CB VAL A 61 -1.510 -5.360 -6.301 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.799 -6.467 -7.312 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.412 -5.495 -5.072 1.00 0.00 C ATOM 0 H VAL A 61 -0.056 -6.678 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 61 0.596 -5.321 -6.797 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.729 -4.404 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.855 -6.447 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.193 -6.312 -8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.555 -7.434 -6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.456 -5.493 -5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.189 -6.430 -4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.234 -4.658 -4.397 1.00 0.00 H new ATOM 949 N GLU A 62 0.034 -2.953 -5.619 1.00 0.00 N ATOM 950 CA GLU A 62 0.267 -1.681 -4.946 1.00 0.00 C ATOM 951 C GLU A 62 -0.863 -1.390 -3.959 1.00 0.00 C ATOM 952 O GLU A 62 -2.039 -1.380 -4.332 1.00 0.00 O ATOM 953 CB GLU A 62 0.382 -0.564 -5.989 1.00 0.00 C ATOM 954 CG GLU A 62 0.624 0.820 -5.402 1.00 0.00 C ATOM 955 CD GLU A 62 0.830 1.875 -6.477 1.00 0.00 C ATOM 956 OE1 GLU A 62 -0.065 2.037 -7.332 1.00 0.00 O ATOM 957 OE2 GLU A 62 1.890 2.540 -6.476 1.00 0.00 O ATOM 0 H GLU A 62 -0.332 -2.859 -6.567 1.00 0.00 H new ATOM 0 HA GLU A 62 1.200 -1.734 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.197 -0.803 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.533 -0.540 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.225 1.101 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.500 0.789 -4.754 1.00 0.00 H new ATOM 964 N ALA A 63 -0.496 -1.150 -2.706 1.00 0.00 N ATOM 965 CA ALA A 63 -1.465 -1.001 -1.625 1.00 0.00 C ATOM 966 C ALA A 63 -2.079 0.397 -1.574 1.00 0.00 C ATOM 967 O ALA A 63 -1.372 1.400 -1.474 1.00 0.00 O ATOM 968 CB ALA A 63 -0.811 -1.332 -0.288 1.00 0.00 C ATOM 0 H ALA A 63 0.476 -1.053 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.277 -1.701 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.542 -1.218 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.449 -2.360 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.026 -0.655 -0.115 1.00 0.00 H new ATOM 974 N ARG A 64 -3.403 0.447 -1.658 1.00 0.00 N ATOM 975 CA ARG A 64 -4.169 1.662 -1.386 1.00 0.00 C ATOM 976 C ARG A 64 -5.101 1.400 -0.206 1.00 0.00 C ATOM 977 O ARG A 64 -6.143 0.763 -0.368 1.00 0.00 O ATOM 978 CB ARG A 64 -4.998 2.085 -2.615 1.00 0.00 C ATOM 979 CG ARG A 64 -4.393 3.203 -3.464 1.00 0.00 C ATOM 980 CD ARG A 64 -3.050 2.824 -4.078 1.00 0.00 C ATOM 981 NE ARG A 64 -2.759 3.649 -5.254 1.00 0.00 N ATOM 982 CZ ARG A 64 -1.566 4.157 -5.559 1.00 0.00 C ATOM 983 NH1 ARG A 64 -0.535 4.000 -4.737 1.00 0.00 N ATOM 984 NH2 ARG A 64 -1.408 4.833 -6.691 1.00 0.00 N ATOM 0 H ARG A 64 -3.979 -0.354 -1.917 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.476 2.470 -1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.147 1.211 -3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.983 2.404 -2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.090 3.464 -4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.266 4.092 -2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.260 2.948 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.059 1.771 -4.361 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.531 3.850 -5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.653 3.487 -3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.375 4.393 -4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.198 4.961 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.496 5.224 -6.929 1.00 0.00 H new ATOM 998 N LYS A 65 -4.715 1.857 0.979 1.00 0.00 N ATOM 999 CA LYS A 65 -5.527 1.641 2.171 1.00 0.00 C ATOM 1000 C LYS A 65 -6.739 2.564 2.152 1.00 0.00 C ATOM 1001 O LYS A 65 -6.611 3.760 1.900 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.710 1.881 3.448 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.500 1.623 4.731 1.00 0.00 C ATOM 1004 CD LYS A 65 -4.692 1.956 5.982 1.00 0.00 C ATOM 1005 CE LYS A 65 -5.500 1.721 7.256 1.00 0.00 C ATOM 1006 NZ LYS A 65 -6.765 2.507 7.274 1.00 0.00 N ATOM 0 H LYS A 65 -3.852 2.376 1.140 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.862 0.604 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.831 1.236 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.350 2.910 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.412 2.220 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.804 0.577 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.790 1.345 6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.371 2.997 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.732 0.660 7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.895 1.989 8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.151 2.521 8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.573 3.481 6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.455 2.069 6.631 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.910 2.001 2.408 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.145 2.774 2.454 1.00 0.00 C ATOM 1022 C LEU A 66 -9.581 2.962 3.906 1.00 0.00 C ATOM 1023 O LEU A 66 -9.282 4.027 4.486 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.245 2.073 1.643 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.906 1.808 0.166 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -11.056 1.085 -0.530 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -9.566 3.110 -0.560 1.00 0.00 C ATOM 1028 OXT LEU A 66 -10.187 2.033 4.474 1.00 0.00 O ATOM 0 H LEU A 66 -8.033 1.005 2.588 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.970 3.754 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.476 1.121 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.149 2.680 1.688 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.027 1.164 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.796 0.907 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.240 0.132 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.955 1.699 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.330 2.895 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.420 3.786 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.705 3.579 -0.083 1.00 0.00 H new TER 1040 LEU A 66