USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 37 ASN : amide:sc= -0.907 X(o=-0.91,f=-0.92) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 12 MET CE :methyl 154:sc= -0.0949 (180deg=-2.02!) USER MOD Set 2.2: A 66 TYR OH : rot 69:sc= -1.29! USER MOD Single : A 1 VAL N :NH3+ -159:sc= -0.0646 (180deg=-0.565) USER MOD Single : A 2 THR OG1 : rot 150:sc= 0.02 USER MOD Single : A 4 LYS NZ :NH3+ -150:sc= -0.31 (180deg=-1.14) USER MOD Single : A 13 THR OG1 : rot -160:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0427 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.549! X(o=-0.55!,f=-0.4) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0297 X(o=-0.03,f=-0.03) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.01 K(o=1,f=-0.34) USER MOD Single : A 44 THR OG1 : rot -109:sc= 1.26 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 48 ASN : amide:sc= -0.534 K(o=-0.53,f=-8.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0517 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0.701 (180deg=0.46) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0279) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= 0.975 (180deg=-0.654!) USER MOD Single : A 74 GLN : amide:sc= 0.391 K(o=0.39,f=-7!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.441 12.940 9.860 1.00 10.00 N ATOM 2 CA VAL A 1 -9.073 11.620 10.387 1.00 10.00 C ATOM 3 C VAL A 1 -8.005 11.042 9.460 1.00 10.00 C ATOM 4 O VAL A 1 -6.841 11.401 9.607 1.00 10.00 O ATOM 5 CB VAL A 1 -10.314 10.723 10.577 1.00 10.00 C ATOM 6 CG1 VAL A 1 -9.933 9.366 11.181 1.00 10.00 C ATOM 7 CG2 VAL A 1 -11.331 11.386 11.514 1.00 10.00 C ATOM 0 H1 VAL A 1 -9.876 13.507 10.616 1.00 10.00 H new ATOM 0 H2 VAL A 1 -8.589 13.424 9.511 1.00 10.00 H new ATOM 0 H3 VAL A 1 -10.119 12.826 9.080 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.650 11.692 11.389 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.751 10.579 9.589 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -10.829 8.757 11.302 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -9.235 8.856 10.518 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -9.464 9.519 12.153 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -12.196 10.734 11.632 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -10.871 11.558 12.487 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -11.649 12.338 11.090 1.00 10.00 H new ATOM 19 N THR A 2 -8.398 10.235 8.476 1.00 10.00 N ATOM 20 CA THR A 2 -7.513 9.622 7.499 1.00 10.00 C ATOM 21 C THR A 2 -7.836 10.139 6.095 1.00 10.00 C ATOM 22 O THR A 2 -8.902 10.710 5.859 1.00 10.00 O ATOM 23 CB THR A 2 -7.678 8.101 7.618 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.050 7.808 7.819 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.865 7.607 8.823 1.00 10.00 C ATOM 0 H THR A 2 -9.377 9.984 8.336 1.00 10.00 H new ATOM 0 HA THR A 2 -6.471 9.882 7.687 1.00 10.00 H new ATOM 0 HB THR A 2 -7.325 7.608 6.712 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.257 6.931 7.434 1.00 10.00 H new ATOM 0 HG21 THR A 2 -6.975 6.527 8.918 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.813 7.854 8.678 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.229 8.090 9.730 1.00 10.00 H new ATOM 33 N GLU A 3 -6.887 9.951 5.177 1.00 10.00 N ATOM 34 CA GLU A 3 -6.941 10.333 3.779 1.00 10.00 C ATOM 35 C GLU A 3 -6.875 9.065 2.939 1.00 10.00 C ATOM 36 O GLU A 3 -6.497 8.012 3.445 1.00 10.00 O ATOM 37 CB GLU A 3 -5.757 11.257 3.470 1.00 10.00 C ATOM 38 CG GLU A 3 -6.251 12.682 3.230 1.00 10.00 C ATOM 39 CD GLU A 3 -5.100 13.673 3.329 1.00 10.00 C ATOM 40 OE1 GLU A 3 -4.587 13.818 4.459 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.752 14.249 2.278 1.00 10.00 O ATOM 0 H GLU A 3 -6.005 9.497 5.414 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.863 10.867 3.551 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.050 11.244 4.299 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -5.224 10.896 2.591 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.714 12.751 2.245 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -7.019 12.934 3.961 1.00 10.00 H new ATOM 48 N LYS A 4 -7.262 9.172 1.665 1.00 10.00 N ATOM 49 CA LYS A 4 -7.228 8.068 0.720 1.00 10.00 C ATOM 50 C LYS A 4 -6.123 8.370 -0.279 1.00 10.00 C ATOM 51 O LYS A 4 -6.130 9.443 -0.877 1.00 10.00 O ATOM 52 CB LYS A 4 -8.562 7.901 -0.019 1.00 10.00 C ATOM 53 CG LYS A 4 -9.673 7.254 0.820 1.00 10.00 C ATOM 54 CD LYS A 4 -10.268 8.090 1.964 1.00 10.00 C ATOM 55 CE LYS A 4 -11.044 9.333 1.497 1.00 10.00 C ATOM 56 NZ LYS A 4 -10.178 10.511 1.291 1.00 10.00 N ATOM 0 H LYS A 4 -7.611 10.042 1.262 1.00 10.00 H new ATOM 0 HA LYS A 4 -7.046 7.137 1.256 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.902 8.880 -0.357 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.397 7.296 -0.910 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -10.485 6.975 0.148 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -9.280 6.331 1.246 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.934 7.459 2.552 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -9.462 8.406 2.626 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.562 9.103 0.566 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -11.808 9.576 2.235 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -10.721 11.378 1.480 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -9.366 10.463 1.939 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -9.837 10.523 0.309 1.00 10.00 H new ATOM 70 N ALA A 5 -5.193 7.434 -0.439 1.00 10.00 N ATOM 71 CA ALA A 5 -4.044 7.546 -1.316 1.00 10.00 C ATOM 72 C ALA A 5 -3.949 6.268 -2.158 1.00 10.00 C ATOM 73 O ALA A 5 -4.291 5.196 -1.652 1.00 10.00 O ATOM 74 CB ALA A 5 -2.810 7.738 -0.435 1.00 10.00 C ATOM 0 H ALA A 5 -5.225 6.545 0.060 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.127 8.392 -1.998 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.924 7.826 -1.064 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.925 8.644 0.159 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.700 6.880 0.229 1.00 10.00 H new ATOM 80 N GLU A 6 -3.495 6.360 -3.414 1.00 10.00 N ATOM 81 CA GLU A 6 -3.325 5.210 -4.283 1.00 10.00 C ATOM 82 C GLU A 6 -1.922 5.141 -4.847 1.00 10.00 C ATOM 83 O GLU A 6 -1.281 6.173 -5.046 1.00 10.00 O ATOM 84 CB GLU A 6 -4.326 5.247 -5.430 1.00 10.00 C ATOM 85 CG GLU A 6 -5.691 4.802 -4.914 1.00 10.00 C ATOM 86 CD GLU A 6 -6.549 4.138 -5.977 1.00 10.00 C ATOM 87 OE1 GLU A 6 -6.301 4.389 -7.174 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.415 3.345 -5.545 1.00 10.00 O ATOM 0 H GLU A 6 -3.236 7.245 -3.850 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.501 4.322 -3.676 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.389 6.254 -5.842 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.997 4.593 -6.237 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.550 4.108 -4.086 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.222 5.668 -4.518 1.00 10.00 H new ATOM 95 N PHE A 7 -1.486 3.906 -5.108 1.00 10.00 N ATOM 96 CA PHE A 7 -0.104 3.549 -5.392 1.00 10.00 C ATOM 97 C PHE A 7 -0.050 2.510 -6.510 1.00 10.00 C ATOM 98 O PHE A 7 -0.852 1.572 -6.508 1.00 10.00 O ATOM 99 CB PHE A 7 0.587 2.982 -4.136 1.00 10.00 C ATOM 100 CG PHE A 7 0.328 3.685 -2.824 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.927 3.546 -2.215 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.361 4.344 -2.137 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.232 4.283 -1.065 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.080 5.006 -0.929 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.227 5.016 -0.417 1.00 10.00 C ATOM 0 H PHE A 7 -2.113 3.102 -5.127 1.00 10.00 H new ATOM 0 HA PHE A 7 0.420 4.452 -5.705 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.284 1.941 -4.026 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.663 2.984 -4.313 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.658 2.870 -2.633 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.365 4.342 -2.534 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.240 4.287 -0.677 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.872 5.508 -0.393 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.458 5.585 0.471 1.00 10.00 H new ATOM 115 N ASP A 8 0.908 2.655 -7.433 1.00 10.00 N ATOM 116 CA ASP A 8 0.984 1.858 -8.641 1.00 10.00 C ATOM 117 C ASP A 8 2.069 0.801 -8.456 1.00 10.00 C ATOM 118 O ASP A 8 3.143 1.102 -7.930 1.00 10.00 O ATOM 119 CB ASP A 8 1.249 2.803 -9.824 1.00 10.00 C ATOM 120 CG ASP A 8 -0.035 3.213 -10.542 1.00 10.00 C ATOM 121 OD1 ASP A 8 -1.131 3.065 -9.962 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.021 3.708 -11.686 1.00 10.00 O ATOM 0 H ASP A 8 1.658 3.342 -7.351 1.00 10.00 H new ATOM 0 HA ASP A 8 0.054 1.329 -8.848 1.00 10.00 H new ATOM 0 HB2 ASP A 8 1.762 3.695 -9.465 1.00 10.00 H new ATOM 0 HB3 ASP A 8 1.918 2.315 -10.533 1.00 10.00 H new ATOM 127 N ILE A 9 1.747 -0.451 -8.797 1.00 10.00 N ATOM 128 CA ILE A 9 2.513 -1.625 -8.410 1.00 10.00 C ATOM 129 C ILE A 9 3.378 -2.083 -9.573 1.00 10.00 C ATOM 130 O ILE A 9 2.864 -2.378 -10.649 1.00 10.00 O ATOM 131 CB ILE A 9 1.555 -2.739 -7.940 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.418 -2.207 -7.053 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.329 -3.809 -7.169 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.931 -1.346 -5.909 1.00 10.00 C ATOM 0 H ILE A 9 0.928 -0.674 -9.362 1.00 10.00 H new ATOM 0 HA ILE A 9 3.174 -1.378 -7.580 1.00 10.00 H new ATOM 0 HB ILE A 9 1.107 -3.165 -8.838 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.272 -1.624 -7.662 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.146 -3.047 -6.648 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.643 -4.590 -6.842 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.092 -4.243 -7.816 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.805 -3.357 -6.299 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.089 -0.995 -5.312 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.600 -1.935 -5.282 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.472 -0.490 -6.312 1.00 10.00 H new ATOM 146 N GLU A 10 4.688 -2.155 -9.338 1.00 10.00 N ATOM 147 CA GLU A 10 5.659 -2.622 -10.310 1.00 10.00 C ATOM 148 C GLU A 10 6.323 -3.868 -9.712 1.00 10.00 C ATOM 149 O GLU A 10 7.240 -3.765 -8.890 1.00 10.00 O ATOM 150 CB GLU A 10 6.631 -1.470 -10.614 1.00 10.00 C ATOM 151 CG GLU A 10 6.327 -0.768 -11.943 1.00 10.00 C ATOM 152 CD GLU A 10 6.993 -1.471 -13.121 1.00 10.00 C ATOM 153 OE1 GLU A 10 7.252 -2.687 -12.988 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.285 -0.761 -14.106 1.00 10.00 O ATOM 0 H GLU A 10 5.105 -1.884 -8.448 1.00 10.00 H new ATOM 0 HA GLU A 10 5.220 -2.908 -11.266 1.00 10.00 H new ATOM 0 HB2 GLU A 10 6.586 -0.741 -9.805 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.650 -1.857 -10.638 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.249 -0.738 -12.100 1.00 10.00 H new ATOM 0 HG3 GLU A 10 6.671 0.265 -11.895 1.00 10.00 H new ATOM 161 N GLY A 11 5.812 -5.048 -10.082 1.00 10.00 N ATOM 162 CA GLY A 11 6.349 -6.326 -9.640 1.00 10.00 C ATOM 163 C GLY A 11 5.352 -7.469 -9.814 1.00 10.00 C ATOM 164 O GLY A 11 5.383 -8.156 -10.831 1.00 10.00 O ATOM 0 H GLY A 11 5.007 -5.136 -10.702 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.256 -6.550 -10.202 1.00 10.00 H new ATOM 0 HA3 GLY A 11 6.635 -6.253 -8.591 1.00 10.00 H new ATOM 168 N MET A 12 4.509 -7.704 -8.801 1.00 10.00 N ATOM 169 CA MET A 12 3.602 -8.846 -8.741 1.00 10.00 C ATOM 170 C MET A 12 2.145 -8.379 -8.731 1.00 10.00 C ATOM 171 O MET A 12 1.859 -7.239 -8.368 1.00 10.00 O ATOM 172 CB MET A 12 3.952 -9.721 -7.521 1.00 10.00 C ATOM 173 CG MET A 12 3.478 -9.136 -6.183 1.00 10.00 C ATOM 174 SD MET A 12 1.743 -9.470 -5.775 1.00 10.00 S ATOM 175 CE MET A 12 1.201 -7.876 -5.127 1.00 10.00 C ATOM 0 H MET A 12 4.441 -7.092 -7.988 1.00 10.00 H new ATOM 0 HA MET A 12 3.724 -9.459 -9.634 1.00 10.00 H new ATOM 0 HB2 MET A 12 3.508 -10.707 -7.654 1.00 10.00 H new ATOM 0 HB3 MET A 12 5.032 -9.861 -7.484 1.00 10.00 H new ATOM 0 HG2 MET A 12 4.106 -9.534 -5.386 1.00 10.00 H new ATOM 0 HG3 MET A 12 3.631 -8.057 -6.201 1.00 10.00 H new ATOM 0 HE1 MET A 12 0.125 -7.773 -5.268 1.00 10.00 H new ATOM 0 HE2 MET A 12 1.435 -7.817 -4.064 1.00 10.00 H new ATOM 0 HE3 MET A 12 1.715 -7.074 -5.657 1.00 10.00 H new ATOM 185 N THR A 13 1.235 -9.291 -9.075 1.00 10.00 N ATOM 186 CA THR A 13 -0.202 -9.124 -8.931 1.00 10.00 C ATOM 187 C THR A 13 -0.806 -10.519 -8.730 1.00 10.00 C ATOM 188 O THR A 13 -1.147 -11.221 -9.677 1.00 10.00 O ATOM 189 CB THR A 13 -0.776 -8.302 -10.104 1.00 10.00 C ATOM 190 OG1 THR A 13 -2.144 -8.014 -9.878 1.00 10.00 O ATOM 191 CG2 THR A 13 -0.615 -8.942 -11.490 1.00 10.00 C ATOM 0 H THR A 13 1.492 -10.194 -9.474 1.00 10.00 H new ATOM 0 HA THR A 13 -0.470 -8.532 -8.055 1.00 10.00 H new ATOM 0 HB THR A 13 -0.179 -7.391 -10.125 1.00 10.00 H new ATOM 0 HG1 THR A 13 -2.575 -7.786 -10.728 1.00 10.00 H new ATOM 0 HG21 THR A 13 -1.050 -8.288 -12.246 1.00 10.00 H new ATOM 0 HG22 THR A 13 0.444 -9.088 -11.702 1.00 10.00 H new ATOM 0 HG23 THR A 13 -1.125 -9.905 -11.507 1.00 10.00 H new ATOM 199 N CYS A 14 -0.854 -10.975 -7.476 1.00 10.00 N ATOM 200 CA CYS A 14 -1.366 -12.287 -7.110 1.00 10.00 C ATOM 201 C CYS A 14 -2.006 -12.190 -5.729 1.00 10.00 C ATOM 202 O CYS A 14 -1.480 -11.487 -4.868 1.00 10.00 O ATOM 203 CB CYS A 14 -0.230 -13.310 -7.098 1.00 10.00 C ATOM 204 SG CYS A 14 -0.950 -14.928 -6.744 1.00 10.00 S ATOM 0 H CYS A 14 -0.531 -10.429 -6.677 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.109 -12.613 -7.838 1.00 10.00 H new ATOM 0 HB2 CYS A 14 0.284 -13.322 -8.059 1.00 10.00 H new ATOM 0 HB3 CYS A 14 0.512 -13.048 -6.344 1.00 10.00 H new ATOM 0 HG CYS A 14 -0.011 -15.827 -6.728 1.00 10.00 H new ATOM 210 N ALA A 15 -3.145 -12.862 -5.528 1.00 10.00 N ATOM 211 CA ALA A 15 -4.020 -12.716 -4.371 1.00 10.00 C ATOM 212 C ALA A 15 -3.283 -12.718 -3.034 1.00 10.00 C ATOM 213 O ALA A 15 -3.439 -11.793 -2.249 1.00 10.00 O ATOM 214 CB ALA A 15 -5.105 -13.794 -4.413 1.00 10.00 C ATOM 0 H ALA A 15 -3.492 -13.549 -6.197 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.478 -11.729 -4.438 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -5.760 -13.685 -3.548 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -5.690 -13.686 -5.326 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -4.640 -14.780 -4.394 1.00 10.00 H new ATOM 220 N ALA A 16 -2.496 -13.755 -2.747 1.00 10.00 N ATOM 221 CA ALA A 16 -1.950 -13.960 -1.411 1.00 10.00 C ATOM 222 C ALA A 16 -0.778 -13.011 -1.181 1.00 10.00 C ATOM 223 O ALA A 16 -0.609 -12.457 -0.095 1.00 10.00 O ATOM 224 CB ALA A 16 -1.514 -15.421 -1.268 1.00 10.00 C ATOM 0 H ALA A 16 -2.223 -14.466 -3.426 1.00 10.00 H new ATOM 0 HA ALA A 16 -2.709 -13.746 -0.659 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -1.104 -15.582 -0.271 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -2.374 -16.074 -1.417 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -0.753 -15.648 -2.014 1.00 10.00 H new ATOM 230 N CYS A 17 0.030 -12.809 -2.224 1.00 10.00 N ATOM 231 CA CYS A 17 1.139 -11.876 -2.163 1.00 10.00 C ATOM 232 C CYS A 17 0.593 -10.473 -1.907 1.00 10.00 C ATOM 233 O CYS A 17 1.010 -9.804 -0.962 1.00 10.00 O ATOM 234 CB CYS A 17 1.977 -11.935 -3.443 1.00 10.00 C ATOM 235 SG CYS A 17 2.993 -13.432 -3.469 1.00 10.00 S ATOM 0 H CYS A 17 -0.070 -13.285 -3.121 1.00 10.00 H new ATOM 0 HA CYS A 17 1.803 -12.150 -1.343 1.00 10.00 H new ATOM 0 HB2 CYS A 17 1.322 -11.918 -4.314 1.00 10.00 H new ATOM 0 HB3 CYS A 17 2.616 -11.054 -3.507 1.00 10.00 H new ATOM 0 HG CYS A 17 3.693 -13.462 -4.564 1.00 10.00 H new ATOM 241 N ALA A 18 -0.396 -10.066 -2.708 1.00 10.00 N ATOM 242 CA ALA A 18 -1.170 -8.855 -2.487 1.00 10.00 C ATOM 243 C ALA A 18 -1.726 -8.833 -1.061 1.00 10.00 C ATOM 244 O ALA A 18 -1.670 -7.814 -0.383 1.00 10.00 O ATOM 245 CB ALA A 18 -2.302 -8.759 -3.507 1.00 10.00 C ATOM 0 H ALA A 18 -0.681 -10.582 -3.540 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.516 -7.992 -2.614 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -2.874 -7.848 -3.331 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -1.884 -8.736 -4.513 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -2.957 -9.624 -3.406 1.00 10.00 H new ATOM 251 N ASN A 19 -2.248 -9.962 -0.580 1.00 10.00 N ATOM 252 CA ASN A 19 -2.837 -10.024 0.747 1.00 10.00 C ATOM 253 C ASN A 19 -1.819 -9.627 1.816 1.00 10.00 C ATOM 254 O ASN A 19 -2.169 -8.967 2.794 1.00 10.00 O ATOM 255 CB ASN A 19 -3.422 -11.412 1.047 1.00 10.00 C ATOM 256 CG ASN A 19 -4.606 -11.321 2.002 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.567 -12.072 1.873 1.00 10.00 O ATOM 258 ND2 ASN A 19 -4.570 -10.373 2.928 1.00 10.00 N ATOM 0 H ASN A 19 -2.272 -10.843 -1.094 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.659 -9.308 0.769 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -3.738 -11.884 0.117 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.650 -12.048 1.481 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -5.359 -10.250 3.563 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -3.753 -9.767 3.006 1.00 10.00 H new ATOM 265 N ARG A 20 -0.556 -10.027 1.657 1.00 10.00 N ATOM 266 CA ARG A 20 0.493 -9.665 2.588 1.00 10.00 C ATOM 267 C ARG A 20 0.576 -8.147 2.706 1.00 10.00 C ATOM 268 O ARG A 20 0.732 -7.647 3.821 1.00 10.00 O ATOM 269 CB ARG A 20 1.828 -10.325 2.194 1.00 10.00 C ATOM 270 CG ARG A 20 2.291 -11.309 3.276 1.00 10.00 C ATOM 271 CD ARG A 20 1.404 -12.566 3.303 1.00 10.00 C ATOM 272 NE ARG A 20 1.468 -13.266 4.599 1.00 10.00 N ATOM 273 CZ ARG A 20 2.469 -14.050 5.031 1.00 10.00 C ATOM 274 NH1 ARG A 20 3.540 -14.252 4.255 1.00 10.00 N ATOM 275 NH2 ARG A 20 2.399 -14.618 6.241 1.00 10.00 N ATOM 0 H ARG A 20 -0.241 -10.608 0.880 1.00 10.00 H new ATOM 0 HA ARG A 20 0.255 -10.048 3.580 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.713 -10.849 1.245 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.588 -9.558 2.045 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.326 -11.595 3.091 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.264 -10.821 4.250 1.00 10.00 H new ATOM 0 HD2 ARG A 20 0.372 -12.285 3.095 1.00 10.00 H new ATOM 0 HD3 ARG A 20 1.715 -13.245 2.509 1.00 10.00 H new ATOM 0 HE ARG A 20 0.675 -13.143 5.229 1.00 10.00 H new ATOM 0 HH11 ARG A 20 3.595 -13.811 3.337 1.00 10.00 H new ATOM 0 HH12 ARG A 20 4.301 -14.847 4.581 1.00 10.00 H new ATOM 0 HH21 ARG A 20 1.586 -14.455 6.834 1.00 10.00 H new ATOM 0 HH22 ARG A 20 3.159 -15.214 6.570 1.00 10.00 H new ATOM 289 N ILE A 21 0.434 -7.415 1.592 1.00 10.00 N ATOM 290 CA ILE A 21 0.303 -5.967 1.647 1.00 10.00 C ATOM 291 C ILE A 21 -0.692 -5.512 2.710 1.00 10.00 C ATOM 292 O ILE A 21 -0.312 -4.663 3.506 1.00 10.00 O ATOM 293 CB ILE A 21 -0.043 -5.339 0.287 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.810 -5.876 -0.861 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.123 -3.822 0.363 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.293 -5.947 -0.500 1.00 10.00 C ATOM 0 H ILE A 21 0.408 -7.807 0.651 1.00 10.00 H new ATOM 0 HA ILE A 21 1.291 -5.605 1.930 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.078 -5.609 0.075 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.458 -6.870 -1.138 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.682 -5.238 -1.735 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.123 -3.380 -0.603 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.544 -3.421 1.126 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.155 -3.581 0.620 1.00 10.00 H new ATOM 0 HD11 ILE A 21 2.856 -6.335 -1.349 1.00 10.00 H new ATOM 0 HD12 ILE A 21 2.655 -4.950 -0.250 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.428 -6.607 0.357 1.00 10.00 H new ATOM 308 N GLU A 22 -1.918 -6.050 2.764 1.00 10.00 N ATOM 309 CA GLU A 22 -2.922 -5.588 3.725 1.00 10.00 C ATOM 310 C GLU A 22 -2.325 -5.488 5.130 1.00 10.00 C ATOM 311 O GLU A 22 -2.387 -4.448 5.781 1.00 10.00 O ATOM 312 CB GLU A 22 -4.139 -6.525 3.777 1.00 10.00 C ATOM 313 CG GLU A 22 -4.906 -6.648 2.459 1.00 10.00 C ATOM 314 CD GLU A 22 -6.261 -7.311 2.700 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.257 -8.422 3.281 1.00 10.00 O ATOM 316 OE2 GLU A 22 -7.276 -6.682 2.337 1.00 10.00 O ATOM 0 H GLU A 22 -2.235 -6.803 2.154 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.247 -4.604 3.386 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.804 -7.517 4.081 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.822 -6.169 4.548 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.048 -5.661 2.019 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.327 -7.235 1.746 1.00 10.00 H new ATOM 323 N LYS A 23 -1.720 -6.581 5.593 1.00 10.00 N ATOM 324 CA LYS A 23 -1.170 -6.688 6.928 1.00 10.00 C ATOM 325 C LYS A 23 0.067 -5.800 7.027 1.00 10.00 C ATOM 326 O LYS A 23 0.255 -5.093 8.016 1.00 10.00 O ATOM 327 CB LYS A 23 -0.845 -8.160 7.230 1.00 10.00 C ATOM 328 CG LYS A 23 -0.828 -8.462 8.738 1.00 10.00 C ATOM 329 CD LYS A 23 -2.224 -8.578 9.380 1.00 10.00 C ATOM 330 CE LYS A 23 -3.017 -9.792 8.859 1.00 10.00 C ATOM 331 NZ LYS A 23 -4.273 -10.009 9.609 1.00 10.00 N ATOM 0 H LYS A 23 -1.600 -7.427 5.035 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.892 -6.349 7.671 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.582 -8.799 6.743 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.126 -8.410 6.802 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.287 -9.394 8.903 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.271 -7.675 9.247 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -2.117 -8.656 10.462 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.788 -7.667 9.180 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.248 -9.646 7.804 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.396 -10.685 8.929 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.770 -10.836 9.221 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.054 -10.175 10.612 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.879 -9.168 9.522 1.00 10.00 H new ATOM 345 N ARG A 24 0.920 -5.838 5.998 1.00 10.00 N ATOM 346 CA ARG A 24 2.168 -5.105 6.020 1.00 10.00 C ATOM 347 C ARG A 24 1.912 -3.597 6.091 1.00 10.00 C ATOM 348 O ARG A 24 2.676 -2.882 6.727 1.00 10.00 O ATOM 349 CB ARG A 24 3.025 -5.499 4.810 1.00 10.00 C ATOM 350 CG ARG A 24 4.517 -5.333 5.118 1.00 10.00 C ATOM 351 CD ARG A 24 5.127 -6.448 5.976 1.00 10.00 C ATOM 352 NE ARG A 24 4.972 -7.775 5.363 1.00 10.00 N ATOM 353 CZ ARG A 24 5.385 -8.923 5.924 1.00 10.00 C ATOM 354 NH1 ARG A 24 5.989 -8.902 7.117 1.00 10.00 N ATOM 355 NH2 ARG A 24 5.193 -10.088 5.295 1.00 10.00 N ATOM 0 H ARG A 24 0.759 -6.372 5.144 1.00 10.00 H new ATOM 0 HA ARG A 24 2.726 -5.368 6.918 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.819 -6.534 4.535 1.00 10.00 H new ATOM 0 HB3 ARG A 24 2.756 -4.882 3.953 1.00 10.00 H new ATOM 0 HG2 ARG A 24 5.064 -5.279 4.177 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.664 -4.381 5.627 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.186 -6.244 6.132 1.00 10.00 H new ATOM 0 HD3 ARG A 24 4.654 -6.447 6.958 1.00 10.00 H new ATOM 0 HE ARG A 24 4.520 -7.827 4.450 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.135 -8.015 7.599 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.303 -9.773 7.545 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.731 -10.107 4.386 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.508 -10.958 5.725 1.00 10.00 H new ATOM 369 N LEU A 25 0.836 -3.122 5.462 1.00 10.00 N ATOM 370 CA LEU A 25 0.367 -1.751 5.547 1.00 10.00 C ATOM 371 C LEU A 25 -0.391 -1.523 6.858 1.00 10.00 C ATOM 372 O LEU A 25 -0.225 -0.489 7.495 1.00 10.00 O ATOM 373 CB LEU A 25 -0.489 -1.417 4.312 1.00 10.00 C ATOM 374 CG LEU A 25 0.266 -0.490 3.345 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.098 -0.753 1.885 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.139 0.945 3.671 1.00 10.00 C ATOM 0 H LEU A 25 0.253 -3.705 4.862 1.00 10.00 H new ATOM 0 HA LEU A 25 1.220 -1.073 5.553 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.764 -2.338 3.797 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.417 -0.939 4.628 1.00 10.00 H new ATOM 0 HG LEU A 25 1.335 -0.667 3.467 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.461 -0.073 1.242 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.151 -1.783 1.628 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.166 -0.591 1.742 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.380 1.631 3.001 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.216 1.057 3.542 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.129 1.173 4.703 1.00 10.00 H new ATOM 388 N ASN A 26 -1.178 -2.499 7.315 1.00 10.00 N ATOM 389 CA ASN A 26 -1.904 -2.388 8.577 1.00 10.00 C ATOM 390 C ASN A 26 -0.936 -2.190 9.745 1.00 10.00 C ATOM 391 O ASN A 26 -1.340 -1.741 10.811 1.00 10.00 O ATOM 392 CB ASN A 26 -2.800 -3.608 8.802 1.00 10.00 C ATOM 393 CG ASN A 26 -3.714 -3.427 10.010 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.526 -2.511 10.048 1.00 10.00 O ATOM 395 ND2 ASN A 26 -3.627 -4.322 10.992 1.00 10.00 N ATOM 0 H ASN A 26 -1.328 -3.380 6.824 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.547 -1.510 8.522 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.405 -3.783 7.912 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.180 -4.493 8.945 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.246 -4.254 11.800 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -2.942 -5.076 10.936 1.00 10.00 H new ATOM 402 N LYS A 27 0.343 -2.532 9.546 1.00 10.00 N ATOM 403 CA LYS A 27 1.394 -2.183 10.492 1.00 10.00 C ATOM 404 C LYS A 27 1.411 -0.693 10.850 1.00 10.00 C ATOM 405 O LYS A 27 1.668 -0.357 12.003 1.00 10.00 O ATOM 406 CB LYS A 27 2.765 -2.698 10.003 1.00 10.00 C ATOM 407 CG LYS A 27 3.677 -1.608 9.401 1.00 10.00 C ATOM 408 CD LYS A 27 5.157 -1.986 9.302 1.00 10.00 C ATOM 409 CE LYS A 27 5.464 -2.823 8.061 1.00 10.00 C ATOM 410 NZ LYS A 27 6.921 -2.976 7.877 1.00 10.00 N ATOM 0 H LYS A 27 0.670 -3.053 8.732 1.00 10.00 H new ATOM 0 HA LYS A 27 1.167 -2.693 11.428 1.00 10.00 H new ATOM 0 HB2 LYS A 27 3.283 -3.167 10.840 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.602 -3.473 9.254 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.313 -1.361 8.404 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.587 -0.706 10.006 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.760 -1.078 9.283 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.447 -2.543 10.193 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.000 -3.805 8.156 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.030 -2.349 7.181 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.106 -3.548 7.028 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.357 -2.039 7.764 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.328 -3.449 8.709 1.00 10.00 H new ATOM 424 N ILE A 28 1.261 0.191 9.857 1.00 10.00 N ATOM 425 CA ILE A 28 1.344 1.628 10.075 1.00 10.00 C ATOM 426 C ILE A 28 0.327 2.019 11.148 1.00 10.00 C ATOM 427 O ILE A 28 -0.810 1.555 11.117 1.00 10.00 O ATOM 428 CB ILE A 28 1.116 2.331 8.728 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.352 2.130 7.824 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.793 3.818 8.882 1.00 10.00 C ATOM 431 CD1 ILE A 28 1.941 1.781 6.413 1.00 10.00 C ATOM 0 H ILE A 28 1.080 -0.073 8.889 1.00 10.00 H new ATOM 0 HA ILE A 28 2.324 1.936 10.440 1.00 10.00 H new ATOM 0 HB ILE A 28 0.242 1.875 8.263 1.00 10.00 H new ATOM 0 HG12 ILE A 28 2.953 3.039 7.817 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.979 1.336 8.231 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.642 4.261 7.898 1.00 10.00 H new ATOM 0 HG22 ILE A 28 -0.114 3.934 9.475 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.621 4.320 9.383 1.00 10.00 H new ATOM 0 HD11 ILE A 28 2.831 1.645 5.798 1.00 10.00 H new ATOM 0 HD12 ILE A 28 1.361 0.858 6.421 1.00 10.00 H new ATOM 0 HD13 ILE A 28 1.335 2.587 6.001 1.00 10.00 H new ATOM 443 N GLU A 29 0.733 2.838 12.118 1.00 10.00 N ATOM 444 CA GLU A 29 -0.152 3.213 13.209 1.00 10.00 C ATOM 445 C GLU A 29 -1.234 4.148 12.664 1.00 10.00 C ATOM 446 O GLU A 29 -2.420 3.932 12.908 1.00 10.00 O ATOM 447 CB GLU A 29 0.638 3.833 14.371 1.00 10.00 C ATOM 448 CG GLU A 29 -0.084 3.700 15.718 1.00 10.00 C ATOM 449 CD GLU A 29 0.545 4.603 16.774 1.00 10.00 C ATOM 450 OE1 GLU A 29 0.295 5.827 16.693 1.00 10.00 O ATOM 451 OE2 GLU A 29 1.260 4.057 17.642 1.00 10.00 O ATOM 0 H GLU A 29 1.665 3.250 12.167 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.639 2.328 13.618 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.614 3.353 14.438 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.816 4.888 14.162 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -1.136 3.957 15.596 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -0.046 2.663 16.053 1.00 10.00 H new ATOM 458 N GLY A 30 -0.864 5.169 11.876 1.00 10.00 N ATOM 459 CA GLY A 30 -1.818 6.145 11.379 1.00 10.00 C ATOM 460 C GLY A 30 -2.582 5.633 10.162 1.00 10.00 C ATOM 461 O GLY A 30 -2.759 6.367 9.192 1.00 10.00 O ATOM 0 H GLY A 30 0.096 5.332 11.574 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.524 6.396 12.170 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.293 7.063 11.117 1.00 10.00 H new ATOM 465 N VAL A 31 -3.034 4.382 10.200 1.00 10.00 N ATOM 466 CA VAL A 31 -3.727 3.711 9.123 1.00 10.00 C ATOM 467 C VAL A 31 -5.212 3.607 9.473 1.00 10.00 C ATOM 468 O VAL A 31 -5.573 3.569 10.649 1.00 10.00 O ATOM 469 CB VAL A 31 -3.047 2.349 8.914 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.550 1.262 9.871 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.146 1.910 7.459 1.00 10.00 C ATOM 0 H VAL A 31 -2.918 3.789 11.022 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.672 4.261 8.183 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.994 2.489 9.160 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -3.027 0.327 9.667 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.360 1.567 10.900 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.621 1.118 9.727 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.657 0.943 7.337 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.195 1.825 7.175 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.657 2.647 6.822 1.00 10.00 H new ATOM 481 N ALA A 32 -6.073 3.566 8.456 1.00 10.00 N ATOM 482 CA ALA A 32 -7.486 3.243 8.603 1.00 10.00 C ATOM 483 C ALA A 32 -7.775 1.948 7.858 1.00 10.00 C ATOM 484 O ALA A 32 -8.258 0.991 8.457 1.00 10.00 O ATOM 485 CB ALA A 32 -8.366 4.381 8.084 1.00 10.00 C ATOM 0 H ALA A 32 -5.800 3.760 7.492 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.718 3.113 9.660 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.416 4.114 8.206 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.155 5.290 8.648 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.155 4.552 7.028 1.00 10.00 H new ATOM 491 N ASN A 33 -7.493 1.914 6.552 1.00 10.00 N ATOM 492 CA ASN A 33 -7.801 0.756 5.721 1.00 10.00 C ATOM 493 C ASN A 33 -6.698 0.566 4.683 1.00 10.00 C ATOM 494 O ASN A 33 -5.975 1.507 4.366 1.00 10.00 O ATOM 495 CB ASN A 33 -9.163 0.931 5.029 1.00 10.00 C ATOM 496 CG ASN A 33 -10.342 1.004 5.991 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.812 -0.025 6.465 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.872 2.193 6.261 1.00 10.00 N ATOM 0 H ASN A 33 -7.049 2.682 6.049 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.855 -0.130 6.354 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.140 1.841 4.429 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.319 0.100 4.342 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.685 2.262 6.873 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.465 3.036 5.856 1.00 10.00 H new ATOM 505 N ALA A 34 -6.581 -0.643 4.133 1.00 10.00 N ATOM 506 CA ALA A 34 -5.655 -0.958 3.046 1.00 10.00 C ATOM 507 C ALA A 34 -6.283 -1.926 2.031 1.00 10.00 C ATOM 508 O ALA A 34 -5.770 -3.028 1.849 1.00 10.00 O ATOM 509 CB ALA A 34 -4.356 -1.511 3.644 1.00 10.00 C ATOM 0 H ALA A 34 -7.136 -1.443 4.436 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.426 -0.048 2.491 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.658 -1.749 2.841 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.911 -0.764 4.302 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.574 -2.414 4.215 1.00 10.00 H new ATOM 515 N PRO A 35 -7.386 -1.549 1.362 1.00 10.00 N ATOM 516 CA PRO A 35 -8.095 -2.425 0.441 1.00 10.00 C ATOM 517 C PRO A 35 -7.342 -2.506 -0.891 1.00 10.00 C ATOM 518 O PRO A 35 -7.780 -1.951 -1.896 1.00 10.00 O ATOM 519 CB PRO A 35 -9.481 -1.786 0.293 1.00 10.00 C ATOM 520 CG PRO A 35 -9.175 -0.292 0.413 1.00 10.00 C ATOM 521 CD PRO A 35 -8.071 -0.269 1.470 1.00 10.00 C ATOM 0 HA PRO A 35 -8.174 -3.453 0.795 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.939 -2.030 -0.665 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.168 -2.123 1.070 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -8.840 0.132 -0.534 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.050 0.278 0.726 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.382 0.558 1.297 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.489 -0.133 2.468 1.00 10.00 H new ATOM 529 N VAL A 36 -6.191 -3.181 -0.907 1.00 10.00 N ATOM 530 CA VAL A 36 -5.384 -3.296 -2.107 1.00 10.00 C ATOM 531 C VAL A 36 -6.098 -4.129 -3.170 1.00 10.00 C ATOM 532 O VAL A 36 -6.905 -4.998 -2.837 1.00 10.00 O ATOM 533 CB VAL A 36 -4.013 -3.890 -1.762 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.429 -3.200 -0.524 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.056 -5.404 -1.527 1.00 10.00 C ATOM 0 H VAL A 36 -5.801 -3.656 -0.093 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.233 -2.300 -2.523 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.376 -3.713 -2.629 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.456 -3.632 -0.292 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.315 -2.134 -0.721 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.101 -3.342 0.323 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.055 -5.764 -1.287 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.729 -5.625 -0.699 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.414 -5.902 -2.428 1.00 10.00 H new ATOM 545 N ASN A 37 -5.761 -3.912 -4.445 1.00 10.00 N ATOM 546 CA ASN A 37 -6.269 -4.765 -5.508 1.00 10.00 C ATOM 547 C ASN A 37 -5.252 -5.853 -5.832 1.00 10.00 C ATOM 548 O ASN A 37 -4.056 -5.692 -5.596 1.00 10.00 O ATOM 549 CB ASN A 37 -6.608 -3.947 -6.749 1.00 10.00 C ATOM 550 CG ASN A 37 -7.857 -3.102 -6.547 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.964 -3.629 -6.540 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.703 -1.791 -6.416 1.00 10.00 N ATOM 0 H ASN A 37 -5.146 -3.161 -4.757 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.189 -5.239 -5.165 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.767 -3.299 -6.998 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -6.756 -4.617 -7.596 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -8.520 -1.190 -6.305 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.768 -1.384 -6.426 1.00 10.00 H new ATOM 559 N PHE A 38 -5.743 -6.966 -6.376 1.00 10.00 N ATOM 560 CA PHE A 38 -4.985 -8.189 -6.602 1.00 10.00 C ATOM 561 C PHE A 38 -5.285 -8.730 -7.999 1.00 10.00 C ATOM 562 O PHE A 38 -5.577 -9.910 -8.181 1.00 10.00 O ATOM 563 CB PHE A 38 -5.316 -9.188 -5.486 1.00 10.00 C ATOM 564 CG PHE A 38 -6.755 -9.188 -4.998 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.139 -8.325 -3.952 1.00 10.00 C ATOM 566 CD2 PHE A 38 -7.706 -10.049 -5.577 1.00 10.00 C ATOM 567 CE1 PHE A 38 -8.465 -8.316 -3.492 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.029 -10.057 -5.098 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.409 -9.191 -4.059 1.00 10.00 C ATOM 0 H PHE A 38 -6.714 -7.040 -6.681 1.00 10.00 H new ATOM 0 HA PHE A 38 -3.912 -7.998 -6.566 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.073 -10.190 -5.839 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -4.665 -8.982 -4.636 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -6.410 -7.668 -3.502 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.421 -10.703 -6.388 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -8.760 -7.639 -2.704 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.754 -10.731 -5.530 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.426 -9.197 -3.696 1.00 10.00 H new ATOM 579 N ALA A 39 -5.210 -7.830 -8.981 1.00 10.00 N ATOM 580 CA ALA A 39 -5.415 -8.089 -10.400 1.00 10.00 C ATOM 581 C ALA A 39 -5.119 -6.808 -11.180 1.00 10.00 C ATOM 582 O ALA A 39 -4.479 -6.844 -12.223 1.00 10.00 O ATOM 583 CB ALA A 39 -6.856 -8.543 -10.664 1.00 10.00 C ATOM 0 H ALA A 39 -4.993 -6.851 -8.794 1.00 10.00 H new ATOM 0 HA ALA A 39 -4.745 -8.886 -10.723 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -6.989 -8.731 -11.729 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.057 -9.457 -10.106 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.547 -7.763 -10.344 1.00 10.00 H new ATOM 589 N LEU A 40 -5.592 -5.675 -10.649 1.00 10.00 N ATOM 590 CA LEU A 40 -5.605 -4.376 -11.306 1.00 10.00 C ATOM 591 C LEU A 40 -4.248 -3.678 -11.222 1.00 10.00 C ATOM 592 O LEU A 40 -4.016 -2.700 -11.927 1.00 10.00 O ATOM 593 CB LEU A 40 -6.659 -3.489 -10.633 1.00 10.00 C ATOM 594 CG LEU A 40 -8.003 -4.174 -10.345 1.00 10.00 C ATOM 595 CD1 LEU A 40 -8.969 -3.091 -9.866 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.571 -4.920 -11.555 1.00 10.00 C ATOM 0 H LEU A 40 -5.991 -5.644 -9.711 1.00 10.00 H new ATOM 0 HA LEU A 40 -5.838 -4.535 -12.359 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.251 -3.116 -9.694 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.840 -2.622 -11.268 1.00 10.00 H new ATOM 0 HG LEU A 40 -7.856 -4.939 -9.583 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.939 -3.538 -9.650 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.575 -2.626 -8.963 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.083 -2.335 -10.643 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.521 -5.381 -11.285 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.728 -4.218 -12.374 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -7.869 -5.692 -11.869 1.00 10.00 H new ATOM 608 N GLU A 41 -3.385 -4.168 -10.327 1.00 10.00 N ATOM 609 CA GLU A 41 -2.003 -3.735 -10.166 1.00 10.00 C ATOM 610 C GLU A 41 -1.942 -2.339 -9.537 1.00 10.00 C ATOM 611 O GLU A 41 -1.112 -1.504 -9.899 1.00 10.00 O ATOM 612 CB GLU A 41 -1.244 -3.836 -11.496 1.00 10.00 C ATOM 613 CG GLU A 41 -1.456 -5.198 -12.168 1.00 10.00 C ATOM 614 CD GLU A 41 -0.328 -5.539 -13.131 1.00 10.00 C ATOM 615 OE1 GLU A 41 0.654 -6.141 -12.642 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.474 -5.208 -14.326 1.00 10.00 O ATOM 0 H GLU A 41 -3.645 -4.905 -9.672 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.496 -4.406 -9.472 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.577 -3.044 -12.166 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.180 -3.678 -11.321 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.527 -5.972 -11.404 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.404 -5.193 -12.706 1.00 10.00 H new ATOM 623 N THR A 42 -2.823 -2.116 -8.556 1.00 10.00 N ATOM 624 CA THR A 42 -2.986 -0.865 -7.831 1.00 10.00 C ATOM 625 C THR A 42 -3.243 -1.175 -6.357 1.00 10.00 C ATOM 626 O THR A 42 -4.206 -1.876 -6.036 1.00 10.00 O ATOM 627 CB THR A 42 -4.175 -0.099 -8.416 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.258 -0.989 -8.583 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.805 0.535 -9.755 1.00 10.00 C ATOM 0 H THR A 42 -3.468 -2.839 -8.236 1.00 10.00 H new ATOM 0 HA THR A 42 -2.086 -0.257 -7.922 1.00 10.00 H new ATOM 0 HB THR A 42 -4.457 0.701 -7.731 1.00 10.00 H new ATOM 0 HG1 THR A 42 -6.024 -0.505 -8.956 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.665 1.074 -10.152 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.976 1.228 -9.613 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.509 -0.244 -10.457 1.00 10.00 H new ATOM 637 N VAL A 43 -2.413 -0.636 -5.468 1.00 10.00 N ATOM 638 CA VAL A 43 -2.668 -0.640 -4.031 1.00 10.00 C ATOM 639 C VAL A 43 -3.381 0.664 -3.693 1.00 10.00 C ATOM 640 O VAL A 43 -3.098 1.705 -4.288 1.00 10.00 O ATOM 641 CB VAL A 43 -1.350 -0.790 -3.255 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.387 -0.344 -1.790 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.807 -2.223 -3.331 1.00 10.00 C ATOM 0 H VAL A 43 -1.538 -0.181 -5.727 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.295 -1.485 -3.745 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.680 -0.098 -3.765 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.406 -0.493 -1.339 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.653 0.712 -1.738 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.128 -0.932 -1.249 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.125 -2.289 -2.770 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.536 -2.912 -2.904 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.624 -2.488 -4.372 1.00 10.00 H new ATOM 653 N THR A 44 -4.280 0.593 -2.717 1.00 10.00 N ATOM 654 CA THR A 44 -5.130 1.675 -2.283 1.00 10.00 C ATOM 655 C THR A 44 -5.058 1.681 -0.761 1.00 10.00 C ATOM 656 O THR A 44 -5.337 0.645 -0.155 1.00 10.00 O ATOM 657 CB THR A 44 -6.545 1.363 -2.791 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.540 1.224 -4.201 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.542 2.427 -2.347 1.00 10.00 C ATOM 0 H THR A 44 -4.436 -0.265 -2.188 1.00 10.00 H new ATOM 0 HA THR A 44 -4.836 2.654 -2.662 1.00 10.00 H new ATOM 0 HB THR A 44 -6.864 0.418 -2.352 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.993 1.992 -4.607 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.534 2.176 -2.723 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.567 2.470 -1.258 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.239 3.397 -2.742 1.00 10.00 H new ATOM 667 N VAL A 45 -4.645 2.794 -0.140 1.00 10.00 N ATOM 668 CA VAL A 45 -4.554 2.893 1.306 1.00 10.00 C ATOM 669 C VAL A 45 -5.403 4.059 1.787 1.00 10.00 C ATOM 670 O VAL A 45 -5.313 5.160 1.243 1.00 10.00 O ATOM 671 CB VAL A 45 -3.094 3.062 1.744 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.989 3.010 3.271 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.225 1.956 1.140 1.00 10.00 C ATOM 0 H VAL A 45 -4.368 3.643 -0.632 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.930 1.973 1.754 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.741 4.031 1.390 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.947 3.131 3.568 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.586 3.813 3.704 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.359 2.049 3.629 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.192 2.090 1.460 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.586 0.984 1.477 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.277 2.005 0.052 1.00 10.00 H new ATOM 683 N GLU A 46 -6.180 3.816 2.841 1.00 10.00 N ATOM 684 CA GLU A 46 -6.758 4.852 3.667 1.00 10.00 C ATOM 685 C GLU A 46 -5.826 5.031 4.872 1.00 10.00 C ATOM 686 O GLU A 46 -5.810 4.171 5.756 1.00 10.00 O ATOM 687 CB GLU A 46 -8.190 4.474 4.073 1.00 10.00 C ATOM 688 CG GLU A 46 -8.999 5.718 4.423 1.00 10.00 C ATOM 689 CD GLU A 46 -10.436 5.325 4.694 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.650 4.785 5.798 1.00 10.00 O ATOM 691 OE2 GLU A 46 -11.268 5.510 3.785 1.00 10.00 O ATOM 0 H GLU A 46 -6.425 2.873 3.143 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.842 5.798 3.132 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.674 3.937 3.257 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.164 3.799 4.928 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.573 6.207 5.299 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.955 6.436 3.604 1.00 10.00 H new ATOM 698 N TYR A 47 -5.025 6.103 4.901 1.00 10.00 N ATOM 699 CA TYR A 47 -4.115 6.402 6.005 1.00 10.00 C ATOM 700 C TYR A 47 -4.020 7.907 6.201 1.00 10.00 C ATOM 701 O TYR A 47 -4.410 8.674 5.326 1.00 10.00 O ATOM 702 CB TYR A 47 -2.717 5.788 5.806 1.00 10.00 C ATOM 703 CG TYR A 47 -1.732 6.585 4.961 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.898 6.723 3.568 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.652 7.234 5.593 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.047 7.571 2.839 1.00 10.00 C ATOM 707 CE2 TYR A 47 0.191 8.086 4.864 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.026 8.281 3.494 1.00 10.00 C ATOM 709 OH TYR A 47 0.754 9.159 2.803 1.00 10.00 O ATOM 0 H TYR A 47 -4.993 6.792 4.150 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.528 5.943 6.903 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.272 5.630 6.788 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.839 4.806 5.350 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.680 6.177 3.061 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.472 7.074 6.646 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.178 7.677 1.772 1.00 10.00 H new ATOM 0 HE2 TYR A 47 1.007 8.591 5.359 1.00 10.00 H new ATOM 0 HH TYR A 47 1.409 9.563 3.410 1.00 10.00 H new ATOM 719 N ASN A 48 -3.509 8.326 7.354 1.00 10.00 N ATOM 720 CA ASN A 48 -3.269 9.728 7.662 1.00 10.00 C ATOM 721 C ASN A 48 -1.797 10.059 7.418 1.00 10.00 C ATOM 722 O ASN A 48 -0.923 9.346 7.909 1.00 10.00 O ATOM 723 CB ASN A 48 -3.727 10.083 9.088 1.00 10.00 C ATOM 724 CG ASN A 48 -2.874 9.537 10.239 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.696 9.854 10.386 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.494 8.771 11.131 1.00 10.00 N ATOM 0 H ASN A 48 -3.247 7.692 8.109 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.870 10.347 6.996 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.761 11.169 9.174 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.747 9.721 9.218 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.991 8.437 11.953 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.472 8.517 10.993 1.00 10.00 H new ATOM 733 N PRO A 49 -1.478 11.137 6.688 1.00 10.00 N ATOM 734 CA PRO A 49 -0.111 11.607 6.574 1.00 10.00 C ATOM 735 C PRO A 49 0.254 12.393 7.842 1.00 10.00 C ATOM 736 O PRO A 49 0.619 13.564 7.754 1.00 10.00 O ATOM 737 CB PRO A 49 -0.109 12.463 5.302 1.00 10.00 C ATOM 738 CG PRO A 49 -1.513 13.070 5.294 1.00 10.00 C ATOM 739 CD PRO A 49 -2.377 11.954 5.884 1.00 10.00 C ATOM 0 HA PRO A 49 0.635 10.816 6.495 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.663 13.232 5.334 1.00 10.00 H new ATOM 0 HB3 PRO A 49 0.076 11.862 4.411 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.563 13.978 5.894 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -1.831 13.336 4.286 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.182 12.364 6.493 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.843 11.362 5.096 1.00 10.00 H new ATOM 747 N LYS A 50 0.147 11.765 9.023 1.00 10.00 N ATOM 748 CA LYS A 50 0.580 12.372 10.285 1.00 10.00 C ATOM 749 C LYS A 50 1.598 11.460 10.954 1.00 10.00 C ATOM 750 O LYS A 50 2.630 11.926 11.433 1.00 10.00 O ATOM 751 CB LYS A 50 -0.621 12.773 11.180 1.00 10.00 C ATOM 752 CG LYS A 50 -0.838 11.996 12.496 1.00 10.00 C ATOM 753 CD LYS A 50 0.138 12.365 13.629 1.00 10.00 C ATOM 754 CE LYS A 50 0.414 11.122 14.494 1.00 10.00 C ATOM 755 NZ LYS A 50 1.388 11.365 15.575 1.00 10.00 N ATOM 0 H LYS A 50 -0.240 10.827 9.127 1.00 10.00 H new ATOM 0 HA LYS A 50 1.083 13.319 10.089 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.513 13.828 11.430 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.528 12.678 10.583 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -1.857 12.170 12.841 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -0.749 10.929 12.291 1.00 10.00 H new ATOM 0 HD2 LYS A 50 1.070 12.745 13.211 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.284 13.161 14.242 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -0.523 10.777 14.930 1.00 10.00 H new ATOM 0 HE3 LYS A 50 0.783 10.319 13.856 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 1.529 10.490 16.119 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 2.294 11.667 15.164 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 1.028 12.110 16.205 1.00 10.00 H new ATOM 769 N GLU A 51 1.292 10.164 11.016 1.00 10.00 N ATOM 770 CA GLU A 51 2.155 9.195 11.658 1.00 10.00 C ATOM 771 C GLU A 51 3.212 8.707 10.664 1.00 10.00 C ATOM 772 O GLU A 51 4.404 8.913 10.873 1.00 10.00 O ATOM 773 CB GLU A 51 1.262 8.078 12.202 1.00 10.00 C ATOM 774 CG GLU A 51 2.000 7.212 13.224 1.00 10.00 C ATOM 775 CD GLU A 51 2.610 5.969 12.581 1.00 10.00 C ATOM 776 OE1 GLU A 51 1.865 5.296 11.831 1.00 10.00 O ATOM 777 OE2 GLU A 51 3.800 5.716 12.849 1.00 10.00 O ATOM 0 H GLU A 51 0.440 9.766 10.621 1.00 10.00 H new ATOM 0 HA GLU A 51 2.709 9.625 12.493 1.00 10.00 H new ATOM 0 HB2 GLU A 51 0.376 8.513 12.665 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.917 7.454 11.378 1.00 10.00 H new ATOM 0 HG2 GLU A 51 2.787 7.799 13.697 1.00 10.00 H new ATOM 0 HG3 GLU A 51 1.309 6.912 14.012 1.00 10.00 H new ATOM 784 N ALA A 52 2.757 8.093 9.570 1.00 10.00 N ATOM 785 CA ALA A 52 3.611 7.552 8.523 1.00 10.00 C ATOM 786 C ALA A 52 3.521 8.425 7.271 1.00 10.00 C ATOM 787 O ALA A 52 2.838 9.449 7.259 1.00 10.00 O ATOM 788 CB ALA A 52 3.195 6.111 8.235 1.00 10.00 C ATOM 0 H ALA A 52 1.763 7.958 9.388 1.00 10.00 H new ATOM 0 HA ALA A 52 4.651 7.553 8.849 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.830 5.699 7.451 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.302 5.514 9.140 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.156 6.091 7.907 1.00 10.00 H new ATOM 794 N SER A 53 4.202 8.008 6.200 1.00 10.00 N ATOM 795 CA SER A 53 4.176 8.655 4.901 1.00 10.00 C ATOM 796 C SER A 53 4.150 7.595 3.800 1.00 10.00 C ATOM 797 O SER A 53 4.407 6.415 4.046 1.00 10.00 O ATOM 798 CB SER A 53 5.414 9.548 4.754 1.00 10.00 C ATOM 799 OG SER A 53 6.591 8.757 4.748 1.00 10.00 O ATOM 0 H SER A 53 4.803 7.184 6.222 1.00 10.00 H new ATOM 0 HA SER A 53 3.281 9.271 4.814 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.349 10.123 3.830 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.453 10.265 5.574 1.00 10.00 H new ATOM 0 HG SER A 53 7.375 9.337 4.652 1.00 10.00 H new ATOM 805 N VAL A 54 3.911 8.044 2.568 1.00 10.00 N ATOM 806 CA VAL A 54 4.076 7.252 1.357 1.00 10.00 C ATOM 807 C VAL A 54 5.441 6.554 1.374 1.00 10.00 C ATOM 808 O VAL A 54 5.534 5.342 1.190 1.00 10.00 O ATOM 809 CB VAL A 54 3.925 8.179 0.140 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.107 7.442 -1.194 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.546 8.857 0.167 1.00 10.00 C ATOM 0 H VAL A 54 3.589 8.994 2.384 1.00 10.00 H new ATOM 0 HA VAL A 54 3.314 6.475 1.300 1.00 10.00 H new ATOM 0 HB VAL A 54 4.716 8.926 0.210 1.00 10.00 H new ATOM 0 HG11 VAL A 54 3.990 8.146 -2.018 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.103 7.001 -1.233 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.358 6.655 -1.280 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.446 9.512 -0.698 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.766 8.096 0.138 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.447 9.444 1.080 1.00 10.00 H new ATOM 821 N SER A 55 6.502 7.337 1.589 1.00 10.00 N ATOM 822 CA SER A 55 7.878 6.871 1.628 1.00 10.00 C ATOM 823 C SER A 55 8.085 5.751 2.648 1.00 10.00 C ATOM 824 O SER A 55 8.874 4.839 2.384 1.00 10.00 O ATOM 825 CB SER A 55 8.792 8.061 1.917 1.00 10.00 C ATOM 826 OG SER A 55 8.526 9.070 0.959 1.00 10.00 O ATOM 0 H SER A 55 6.417 8.341 1.745 1.00 10.00 H new ATOM 0 HA SER A 55 8.128 6.442 0.658 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.617 8.438 2.924 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.838 7.757 1.868 1.00 10.00 H new ATOM 0 HG SER A 55 9.103 9.844 1.130 1.00 10.00 H new ATOM 832 N ASP A 56 7.387 5.813 3.785 1.00 10.00 N ATOM 833 CA ASP A 56 7.424 4.737 4.761 1.00 10.00 C ATOM 834 C ASP A 56 6.659 3.531 4.226 1.00 10.00 C ATOM 835 O ASP A 56 7.245 2.468 4.029 1.00 10.00 O ATOM 836 CB ASP A 56 6.835 5.190 6.095 1.00 10.00 C ATOM 837 CG ASP A 56 6.753 4.007 7.050 1.00 10.00 C ATOM 838 OD1 ASP A 56 7.826 3.606 7.547 1.00 10.00 O ATOM 839 OD2 ASP A 56 5.623 3.504 7.225 1.00 10.00 O ATOM 0 H ASP A 56 6.792 6.599 4.046 1.00 10.00 H new ATOM 0 HA ASP A 56 8.464 4.456 4.930 1.00 10.00 H new ATOM 0 HB2 ASP A 56 7.453 5.976 6.528 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.843 5.614 5.940 1.00 10.00 H new ATOM 844 N LEU A 57 5.359 3.683 3.947 1.00 10.00 N ATOM 845 CA LEU A 57 4.516 2.529 3.689 1.00 10.00 C ATOM 846 C LEU A 57 5.010 1.765 2.462 1.00 10.00 C ATOM 847 O LEU A 57 5.157 0.544 2.493 1.00 10.00 O ATOM 848 CB LEU A 57 3.039 2.947 3.662 1.00 10.00 C ATOM 849 CG LEU A 57 2.604 3.826 2.488 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.242 2.988 1.259 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.419 4.713 2.888 1.00 10.00 C ATOM 0 H LEU A 57 4.881 4.583 3.896 1.00 10.00 H new ATOM 0 HA LEU A 57 4.590 1.810 4.505 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.428 2.044 3.658 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.817 3.478 4.588 1.00 10.00 H new ATOM 0 HG LEU A 57 3.450 4.460 2.225 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.938 3.647 0.446 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.109 2.404 0.948 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.421 2.315 1.507 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.124 5.331 2.040 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.580 4.085 3.189 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.709 5.354 3.720 1.00 10.00 H new ATOM 863 N LYS A 58 5.360 2.491 1.401 1.00 10.00 N ATOM 864 CA LYS A 58 6.021 1.915 0.243 1.00 10.00 C ATOM 865 C LYS A 58 7.255 1.083 0.580 1.00 10.00 C ATOM 866 O LYS A 58 7.499 0.094 -0.101 1.00 10.00 O ATOM 867 CB LYS A 58 6.309 3.002 -0.799 1.00 10.00 C ATOM 868 CG LYS A 58 7.565 3.835 -0.527 1.00 10.00 C ATOM 869 CD LYS A 58 8.814 3.247 -1.216 1.00 10.00 C ATOM 870 CE LYS A 58 10.130 3.838 -0.685 1.00 10.00 C ATOM 871 NZ LYS A 58 10.435 3.419 0.701 1.00 10.00 N ATOM 0 H LYS A 58 5.191 3.494 1.325 1.00 10.00 H new ATOM 0 HA LYS A 58 5.326 1.196 -0.191 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.407 2.531 -1.777 1.00 10.00 H new ATOM 0 HB3 LYS A 58 5.450 3.671 -0.852 1.00 10.00 H new ATOM 0 HG2 LYS A 58 7.405 4.855 -0.877 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.737 3.890 0.548 1.00 10.00 H new ATOM 0 HD2 LYS A 58 8.825 2.166 -1.074 1.00 10.00 H new ATOM 0 HD3 LYS A 58 8.748 3.427 -2.289 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.948 3.535 -1.339 1.00 10.00 H new ATOM 0 HE3 LYS A 58 10.076 4.926 -0.726 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 11.257 3.951 1.052 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.614 3.609 1.310 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.650 2.401 0.717 1.00 10.00 H new ATOM 885 N GLU A 59 8.047 1.456 1.595 1.00 10.00 N ATOM 886 CA GLU A 59 9.191 0.662 2.002 1.00 10.00 C ATOM 887 C GLU A 59 8.748 -0.752 2.353 1.00 10.00 C ATOM 888 O GLU A 59 9.469 -1.712 2.117 1.00 10.00 O ATOM 889 CB GLU A 59 9.908 1.298 3.204 1.00 10.00 C ATOM 890 CG GLU A 59 11.386 0.879 3.185 1.00 10.00 C ATOM 891 CD GLU A 59 11.917 0.464 4.556 1.00 10.00 C ATOM 892 OE1 GLU A 59 12.323 1.382 5.297 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.932 -0.759 4.828 1.00 10.00 O ATOM 0 H GLU A 59 7.908 2.305 2.143 1.00 10.00 H new ATOM 0 HA GLU A 59 9.891 0.625 1.167 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.824 2.384 3.161 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.438 0.979 4.134 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.512 0.050 2.489 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.986 1.707 2.807 1.00 10.00 H new ATOM 900 N ALA A 60 7.545 -0.892 2.906 1.00 10.00 N ATOM 901 CA ALA A 60 7.063 -2.190 3.327 1.00 10.00 C ATOM 902 C ALA A 60 6.956 -3.109 2.106 1.00 10.00 C ATOM 903 O ALA A 60 7.491 -4.217 2.093 1.00 10.00 O ATOM 904 CB ALA A 60 5.736 -2.008 4.060 1.00 10.00 C ATOM 0 H ALA A 60 6.895 -0.123 3.069 1.00 10.00 H new ATOM 0 HA ALA A 60 7.755 -2.666 4.022 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.362 -2.980 4.383 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.886 -1.370 4.931 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.011 -1.544 3.391 1.00 10.00 H new ATOM 910 N VAL A 61 6.283 -2.614 1.068 1.00 10.00 N ATOM 911 CA VAL A 61 6.181 -3.274 -0.228 1.00 10.00 C ATOM 912 C VAL A 61 7.568 -3.489 -0.862 1.00 10.00 C ATOM 913 O VAL A 61 7.900 -4.597 -1.290 1.00 10.00 O ATOM 914 CB VAL A 61 5.218 -2.483 -1.128 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.012 -3.209 -2.462 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.855 -2.318 -0.441 1.00 10.00 C ATOM 0 H VAL A 61 5.784 -1.725 1.108 1.00 10.00 H new ATOM 0 HA VAL A 61 5.766 -4.273 -0.097 1.00 10.00 H new ATOM 0 HB VAL A 61 5.659 -1.503 -1.309 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.328 -2.635 -3.087 1.00 10.00 H new ATOM 0 HG12 VAL A 61 5.970 -3.311 -2.972 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.592 -4.198 -2.277 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.185 -1.756 -1.092 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.427 -3.300 -0.241 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.984 -1.781 0.499 1.00 10.00 H new ATOM 926 N ASP A 62 8.395 -2.439 -0.875 1.00 10.00 N ATOM 927 CA ASP A 62 9.739 -2.460 -1.446 1.00 10.00 C ATOM 928 C ASP A 62 10.530 -3.624 -0.844 1.00 10.00 C ATOM 929 O ASP A 62 11.117 -4.449 -1.543 1.00 10.00 O ATOM 930 CB ASP A 62 10.391 -1.098 -1.157 1.00 10.00 C ATOM 931 CG ASP A 62 11.658 -0.813 -1.946 1.00 10.00 C ATOM 932 OD1 ASP A 62 11.773 -1.330 -3.077 1.00 10.00 O ATOM 933 OD2 ASP A 62 12.454 -0.004 -1.422 1.00 10.00 O ATOM 0 H ASP A 62 8.141 -1.534 -0.480 1.00 10.00 H new ATOM 0 HA ASP A 62 9.716 -2.615 -2.525 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.665 -0.313 -1.368 1.00 10.00 H new ATOM 0 HB3 ASP A 62 10.623 -1.041 -0.093 1.00 10.00 H new ATOM 938 N LYS A 63 10.468 -3.721 0.484 1.00 10.00 N ATOM 939 CA LYS A 63 11.162 -4.704 1.289 1.00 10.00 C ATOM 940 C LYS A 63 10.561 -6.095 1.089 1.00 10.00 C ATOM 941 O LYS A 63 11.301 -7.074 1.031 1.00 10.00 O ATOM 942 CB LYS A 63 11.109 -4.251 2.752 1.00 10.00 C ATOM 943 CG LYS A 63 12.146 -4.968 3.621 1.00 10.00 C ATOM 944 CD LYS A 63 12.028 -4.454 5.062 1.00 10.00 C ATOM 945 CE LYS A 63 13.269 -4.788 5.898 1.00 10.00 C ATOM 946 NZ LYS A 63 14.413 -3.924 5.536 1.00 10.00 N ATOM 0 H LYS A 63 9.904 -3.083 1.046 1.00 10.00 H new ATOM 0 HA LYS A 63 12.205 -4.778 0.981 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.277 -3.175 2.803 1.00 10.00 H new ATOM 0 HB3 LYS A 63 10.112 -4.437 3.152 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.983 -6.045 3.591 1.00 10.00 H new ATOM 0 HG3 LYS A 63 13.150 -4.786 3.237 1.00 10.00 H new ATOM 0 HD2 LYS A 63 11.880 -3.374 5.050 1.00 10.00 H new ATOM 0 HD3 LYS A 63 11.147 -4.892 5.531 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.040 -4.666 6.957 1.00 10.00 H new ATOM 0 HE3 LYS A 63 13.539 -5.833 5.749 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 15.198 -4.093 6.197 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 14.722 -4.145 4.568 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 14.125 -2.926 5.588 1.00 10.00 H new ATOM 960 N LEU A 64 9.230 -6.200 0.990 1.00 10.00 N ATOM 961 CA LEU A 64 8.574 -7.429 0.576 1.00 10.00 C ATOM 962 C LEU A 64 9.156 -7.975 -0.731 1.00 10.00 C ATOM 963 O LEU A 64 9.307 -9.190 -0.847 1.00 10.00 O ATOM 964 CB LEU A 64 7.069 -7.182 0.442 1.00 10.00 C ATOM 965 CG LEU A 64 6.316 -7.360 1.762 1.00 10.00 C ATOM 966 CD1 LEU A 64 4.974 -6.642 1.641 1.00 10.00 C ATOM 967 CD2 LEU A 64 6.090 -8.849 2.019 1.00 10.00 C ATOM 0 H LEU A 64 8.587 -5.435 1.195 1.00 10.00 H new ATOM 0 HA LEU A 64 8.750 -8.186 1.340 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.904 -6.171 0.069 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.658 -7.867 -0.300 1.00 10.00 H new ATOM 0 HG LEU A 64 6.889 -6.944 2.591 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.416 -6.754 2.571 1.00 10.00 H new ATOM 0 HD12 LEU A 64 5.144 -5.583 1.445 1.00 10.00 H new ATOM 0 HD13 LEU A 64 4.402 -7.075 0.821 1.00 10.00 H new ATOM 0 HD21 LEU A 64 5.554 -8.979 2.959 1.00 10.00 H new ATOM 0 HD22 LEU A 64 5.503 -9.274 1.205 1.00 10.00 H new ATOM 0 HD23 LEU A 64 7.052 -9.358 2.077 1.00 10.00 H new ATOM 979 N GLY A 65 9.484 -7.112 -1.701 1.00 10.00 N ATOM 980 CA GLY A 65 10.285 -7.536 -2.849 1.00 10.00 C ATOM 981 C GLY A 65 9.996 -6.779 -4.143 1.00 10.00 C ATOM 982 O GLY A 65 10.811 -6.808 -5.061 1.00 10.00 O ATOM 0 H GLY A 65 9.210 -6.130 -1.712 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.340 -7.417 -2.602 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.116 -8.599 -3.020 1.00 10.00 H new ATOM 986 N TYR A 66 8.822 -6.157 -4.250 1.00 10.00 N ATOM 987 CA TYR A 66 8.349 -5.470 -5.447 1.00 10.00 C ATOM 988 C TYR A 66 8.139 -4.006 -5.095 1.00 10.00 C ATOM 989 O TYR A 66 7.963 -3.686 -3.927 1.00 10.00 O ATOM 990 CB TYR A 66 7.065 -6.134 -5.962 1.00 10.00 C ATOM 991 CG TYR A 66 6.102 -6.636 -4.906 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.340 -7.868 -4.267 1.00 10.00 C ATOM 993 CD2 TYR A 66 4.920 -5.931 -4.629 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.433 -8.361 -3.318 1.00 10.00 C ATOM 995 CE2 TYR A 66 3.978 -6.466 -3.747 1.00 10.00 C ATOM 996 CZ TYR A 66 4.235 -7.675 -3.076 1.00 10.00 C ATOM 997 OH TYR A 66 3.286 -8.220 -2.267 1.00 10.00 O ATOM 0 H TYR A 66 8.154 -6.117 -3.480 1.00 10.00 H new ATOM 0 HA TYR A 66 9.080 -5.537 -6.252 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.539 -5.418 -6.593 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.345 -6.974 -6.598 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.226 -8.436 -4.509 1.00 10.00 H new ATOM 0 HD2 TYR A 66 4.739 -4.975 -5.098 1.00 10.00 H new ATOM 0 HE1 TYR A 66 5.657 -9.267 -2.775 1.00 10.00 H new ATOM 0 HE2 TYR A 66 3.046 -5.947 -3.579 1.00 10.00 H new ATOM 0 HH TYR A 66 3.611 -8.229 -1.342 1.00 10.00 H new ATOM 1007 N LYS A 67 8.195 -3.097 -6.070 1.00 10.00 N ATOM 1008 CA LYS A 67 8.259 -1.686 -5.781 1.00 10.00 C ATOM 1009 C LYS A 67 6.856 -1.073 -5.809 1.00 10.00 C ATOM 1010 O LYS A 67 6.007 -1.460 -6.616 1.00 10.00 O ATOM 1011 CB LYS A 67 9.228 -1.007 -6.749 1.00 10.00 C ATOM 1012 CG LYS A 67 9.018 -1.366 -8.221 1.00 10.00 C ATOM 1013 CD LYS A 67 9.596 -0.295 -9.165 1.00 10.00 C ATOM 1014 CE LYS A 67 10.567 -0.883 -10.196 1.00 10.00 C ATOM 1015 NZ LYS A 67 11.816 -1.354 -9.563 1.00 10.00 N ATOM 0 H LYS A 67 8.197 -3.325 -7.064 1.00 10.00 H new ATOM 0 HA LYS A 67 8.645 -1.527 -4.774 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.136 0.073 -6.636 1.00 10.00 H new ATOM 0 HB3 LYS A 67 10.247 -1.271 -6.467 1.00 10.00 H new ATOM 0 HG2 LYS A 67 9.489 -2.326 -8.431 1.00 10.00 H new ATOM 0 HG3 LYS A 67 7.952 -1.484 -8.417 1.00 10.00 H new ATOM 0 HD2 LYS A 67 8.779 0.206 -9.684 1.00 10.00 H new ATOM 0 HD3 LYS A 67 10.112 0.463 -8.576 1.00 10.00 H new ATOM 0 HE2 LYS A 67 10.087 -1.712 -10.716 1.00 10.00 H new ATOM 0 HE3 LYS A 67 10.802 -0.129 -10.947 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 12.448 -1.745 -10.291 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 12.286 -0.557 -9.088 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 11.594 -2.092 -8.864 1.00 10.00 H new ATOM 1029 N LEU A 68 6.650 -0.099 -4.920 1.00 10.00 N ATOM 1030 CA LEU A 68 5.430 0.673 -4.762 1.00 10.00 C ATOM 1031 C LEU A 68 5.792 2.145 -4.914 1.00 10.00 C ATOM 1032 O LEU A 68 6.860 2.559 -4.464 1.00 10.00 O ATOM 1033 CB LEU A 68 4.882 0.424 -3.352 1.00 10.00 C ATOM 1034 CG LEU A 68 3.523 1.100 -3.116 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.456 0.291 -3.835 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.148 1.250 -1.646 1.00 10.00 C ATOM 0 H LEU A 68 7.373 0.182 -4.258 1.00 10.00 H new ATOM 0 HA LEU A 68 4.681 0.390 -5.502 1.00 10.00 H new ATOM 0 HB2 LEU A 68 4.782 -0.649 -3.190 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.599 0.792 -2.618 1.00 10.00 H new ATOM 0 HG LEU A 68 3.596 2.114 -3.508 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.482 0.755 -3.680 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.678 0.262 -4.902 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.441 -0.725 -3.440 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.176 1.736 -1.566 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.101 0.266 -1.180 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.899 1.856 -1.139 1.00 10.00 H new ATOM 1048 N LYS A 69 4.894 2.938 -5.499 1.00 10.00 N ATOM 1049 CA LYS A 69 4.996 4.382 -5.575 1.00 10.00 C ATOM 1050 C LYS A 69 3.600 4.958 -5.650 1.00 10.00 C ATOM 1051 O LYS A 69 2.710 4.282 -6.150 1.00 10.00 O ATOM 1052 CB LYS A 69 5.794 4.797 -6.819 1.00 10.00 C ATOM 1053 CG LYS A 69 6.872 5.817 -6.461 1.00 10.00 C ATOM 1054 CD LYS A 69 7.897 5.144 -5.543 1.00 10.00 C ATOM 1055 CE LYS A 69 9.215 5.922 -5.450 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.055 7.222 -4.763 1.00 10.00 N ATOM 0 H LYS A 69 4.052 2.574 -5.945 1.00 10.00 H new ATOM 0 HA LYS A 69 5.514 4.759 -4.693 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.255 3.918 -7.270 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.120 5.221 -7.563 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.358 6.186 -7.364 1.00 10.00 H new ATOM 0 HG3 LYS A 69 6.427 6.679 -5.963 1.00 10.00 H new ATOM 0 HD2 LYS A 69 7.471 5.040 -4.545 1.00 10.00 H new ATOM 0 HD3 LYS A 69 8.100 4.138 -5.909 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.952 5.321 -4.917 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.606 6.090 -6.453 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.973 7.710 -4.725 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.372 7.808 -5.284 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 8.707 7.063 -3.796 1.00 10.00 H new ATOM 1070 N LEU A 70 3.411 6.186 -5.162 1.00 10.00 N ATOM 1071 CA LEU A 70 2.112 6.823 -5.248 1.00 10.00 C ATOM 1072 C LEU A 70 1.769 7.095 -6.711 1.00 10.00 C ATOM 1073 O LEU A 70 2.646 7.340 -7.538 1.00 10.00 O ATOM 1074 CB LEU A 70 2.076 8.139 -4.460 1.00 10.00 C ATOM 1075 CG LEU A 70 0.686 8.515 -3.931 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.263 7.609 -2.775 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.670 9.974 -3.466 1.00 10.00 C ATOM 0 H LEU A 70 4.135 6.746 -4.711 1.00 10.00 H new ATOM 0 HA LEU A 70 1.377 6.147 -4.811 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.765 8.065 -3.619 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.439 8.943 -5.100 1.00 10.00 H new ATOM 0 HG LEU A 70 -0.022 8.384 -4.749 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.726 7.904 -2.425 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.234 6.574 -3.116 1.00 10.00 H new ATOM 0 HD13 LEU A 70 0.979 7.702 -1.959 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.323 10.226 -3.093 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.402 10.110 -2.670 1.00 10.00 H new ATOM 0 HD23 LEU A 70 0.920 10.626 -4.303 1.00 10.00 H new ATOM 1089 N LYS A 71 0.472 7.103 -6.975 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.179 7.621 -8.147 1.00 10.00 C ATOM 1091 C LYS A 71 -0.824 8.933 -7.714 1.00 10.00 C ATOM 1092 O LYS A 71 -0.537 9.993 -8.263 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.238 6.603 -8.589 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.115 7.203 -9.693 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.163 6.323 -10.946 1.00 10.00 C ATOM 1096 CE LYS A 71 -3.218 5.216 -10.827 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.866 4.051 -11.662 1.00 10.00 N ATOM 0 H LYS A 71 -0.200 6.713 -6.314 1.00 10.00 H new ATOM 0 HA LYS A 71 0.501 7.789 -8.982 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.754 5.696 -8.951 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.856 6.316 -7.738 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -3.127 7.344 -9.313 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.734 8.189 -9.960 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.383 6.942 -11.816 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.184 5.875 -11.113 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.308 4.906 -9.786 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -4.191 5.603 -11.130 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.715 3.707 -12.154 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.149 4.330 -12.362 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.485 3.294 -11.059 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.710 8.837 -6.723 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.434 9.969 -6.191 1.00 10.00 C ATOM 1113 C GLY A 72 -3.405 9.455 -5.140 1.00 10.00 C ATOM 1114 O GLY A 72 -3.023 9.263 -3.988 1.00 10.00 O ATOM 0 H GLY A 72 -1.941 7.954 -6.267 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.744 10.690 -5.752 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -2.972 10.485 -6.986 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.643 9.184 -5.548 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.770 9.022 -4.645 1.00 10.00 C ATOM 1120 C GLU A 73 -6.873 8.231 -5.340 1.00 10.00 C ATOM 1121 O GLU A 73 -6.796 7.977 -6.541 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.251 10.396 -4.149 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.673 11.341 -5.284 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.105 12.695 -4.733 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.034 12.693 -3.896 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -6.488 13.699 -5.146 1.00 10.00 O ATOM 0 H GLU A 73 -4.890 9.070 -6.531 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.466 8.455 -3.765 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.093 10.255 -3.472 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.454 10.866 -3.573 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -5.844 11.475 -5.979 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.492 10.895 -5.848 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.865 7.817 -4.551 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.947 6.946 -4.980 1.00 10.00 C ATOM 1135 C GLN A 74 -9.828 7.627 -6.028 1.00 10.00 C ATOM 1136 O GLN A 74 -10.011 8.844 -6.005 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.753 6.510 -3.742 1.00 10.00 C ATOM 1138 CG GLN A 74 -9.617 5.012 -3.471 1.00 10.00 C ATOM 1139 CD GLN A 74 -10.547 4.176 -4.347 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -10.743 4.467 -5.522 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -11.178 3.157 -3.766 1.00 10.00 N ATOM 0 H GLN A 74 -7.935 8.089 -3.570 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.534 6.060 -5.461 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -9.411 7.069 -2.871 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -10.804 6.759 -3.887 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -8.585 4.706 -3.645 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -9.835 4.814 -2.422 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -10.997 2.936 -2.787 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -11.843 2.597 -4.300 1.00 10.00 H new ATOM 1150 N ASP A 75 -10.409 6.827 -6.926 1.00 10.00 N ATOM 1151 CA ASP A 75 -11.238 7.294 -8.029 1.00 10.00 C ATOM 1152 C ASP A 75 -12.649 7.610 -7.520 1.00 10.00 C ATOM 1153 O ASP A 75 -13.641 7.009 -7.929 1.00 10.00 O ATOM 1154 CB ASP A 75 -11.225 6.238 -9.145 1.00 10.00 C ATOM 1155 CG ASP A 75 -11.931 6.715 -10.409 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -11.833 7.926 -10.699 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -12.522 5.849 -11.090 1.00 10.00 O ATOM 0 H ASP A 75 -10.310 5.812 -6.901 1.00 10.00 H new ATOM 0 HA ASP A 75 -10.842 8.219 -8.448 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -10.193 5.980 -9.384 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -11.706 5.328 -8.785 1.00 10.00 H new ATOM 1162 N SER A 76 -12.732 8.529 -6.556 1.00 10.00 N ATOM 1163 CA SER A 76 -13.979 8.964 -5.951 1.00 10.00 C ATOM 1164 C SER A 76 -14.596 10.104 -6.761 1.00 10.00 C ATOM 1165 O SER A 76 -13.902 10.808 -7.490 1.00 10.00 O ATOM 1166 CB SER A 76 -13.714 9.407 -4.508 1.00 10.00 C ATOM 1167 OG SER A 76 -13.140 8.342 -3.771 1.00 10.00 O ATOM 0 H SER A 76 -11.912 8.998 -6.170 1.00 10.00 H new ATOM 0 HA SER A 76 -14.687 8.135 -5.946 1.00 10.00 H new ATOM 0 HB2 SER A 76 -13.045 10.267 -4.500 1.00 10.00 H new ATOM 0 HB3 SER A 76 -14.646 9.724 -4.039 1.00 10.00 H new ATOM 0 HG SER A 76 -12.972 8.634 -2.851 1.00 10.00 H new ATOM 1173 N ILE A 77 -15.904 10.310 -6.589 1.00 10.00 N ATOM 1174 CA ILE A 77 -16.609 11.490 -7.032 1.00 10.00 C ATOM 1175 C ILE A 77 -16.809 12.359 -5.783 1.00 10.00 C ATOM 1176 O ILE A 77 -16.210 12.100 -4.737 1.00 10.00 O ATOM 1177 CB ILE A 77 -17.926 11.055 -7.717 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -18.892 10.346 -6.745 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -17.609 10.144 -8.912 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -20.299 10.194 -7.331 1.00 10.00 C ATOM 0 H ILE A 77 -16.509 9.634 -6.123 1.00 10.00 H new ATOM 0 HA ILE A 77 -16.067 12.074 -7.776 1.00 10.00 H new ATOM 0 HB ILE A 77 -18.431 11.957 -8.062 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -18.496 9.361 -6.497 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -18.947 10.911 -5.815 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -18.538 9.839 -9.393 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -16.990 10.685 -9.628 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -17.073 9.261 -8.564 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -20.941 9.689 -6.609 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -20.708 11.179 -7.555 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -20.250 9.605 -8.247 1.00 10.00 H new ATOM 1192 N GLU A 78 -17.712 13.326 -5.880 1.00 10.00 N ATOM 1193 CA GLU A 78 -18.299 14.048 -4.762 1.00 10.00 C ATOM 1194 C GLU A 78 -19.797 13.750 -4.769 1.00 10.00 C ATOM 1195 O GLU A 78 -20.341 13.346 -5.798 1.00 10.00 O ATOM 1196 CB GLU A 78 -18.049 15.554 -4.905 1.00 10.00 C ATOM 1197 CG GLU A 78 -16.589 15.919 -4.625 1.00 10.00 C ATOM 1198 CD GLU A 78 -16.402 17.429 -4.661 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -16.463 17.978 -5.782 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -16.236 18.007 -3.565 1.00 10.00 O ATOM 0 H GLU A 78 -18.070 13.642 -6.781 1.00 10.00 H new ATOM 0 HA GLU A 78 -17.849 13.732 -3.821 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -18.316 15.872 -5.913 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -18.697 16.097 -4.217 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -16.292 15.533 -3.650 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -15.942 15.448 -5.365 1.00 10.00 H new ATOM 1207 N GLY A 79 -20.452 13.954 -3.626 1.00 10.00 N ATOM 1208 CA GLY A 79 -21.890 13.816 -3.481 1.00 10.00 C ATOM 1209 C GLY A 79 -22.378 14.903 -2.534 1.00 10.00 C ATOM 1210 O GLY A 79 -22.841 15.949 -2.983 1.00 10.00 O ATOM 0 H GLY A 79 -19.983 14.225 -2.762 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -22.380 13.908 -4.450 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -22.140 12.830 -3.089 1.00 10.00 H new ATOM 1214 N ARG A 80 -22.241 14.669 -1.228 1.00 10.00 N ATOM 1215 CA ARG A 80 -22.477 15.628 -0.168 1.00 10.00 C ATOM 1216 C ARG A 80 -22.055 14.934 1.127 1.00 10.00 C ATOM 1217 O ARG A 80 -22.441 15.437 2.206 1.00 10.00 O ATOM 1218 CB ARG A 80 -23.953 16.047 -0.102 1.00 10.00 C ATOM 1219 CG ARG A 80 -24.037 17.497 0.388 1.00 10.00 C ATOM 1220 CD ARG A 80 -25.471 17.845 0.785 1.00 10.00 C ATOM 1221 NE ARG A 80 -25.841 17.127 2.013 1.00 10.00 N ATOM 1222 CZ ARG A 80 -27.048 17.182 2.593 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -28.024 17.893 2.016 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -27.274 16.533 3.740 1.00 10.00 N ATOM 1225 OXT ARG A 80 -21.401 13.873 0.989 1.00 10.00 O ATOM 0 H ARG A 80 -21.948 13.759 -0.872 1.00 10.00 H new ATOM 0 HA ARG A 80 -21.910 16.543 -0.340 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -24.415 15.954 -1.085 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -24.502 15.389 0.572 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -23.373 17.638 1.241 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -23.696 18.173 -0.397 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -25.563 18.920 0.941 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -26.155 17.580 -0.021 1.00 10.00 H new ATOM 0 HE ARG A 80 -25.129 16.546 2.455 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -27.846 18.388 1.142 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -28.946 17.940 2.450 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -26.526 15.994 4.177 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -28.194 16.577 4.178 1.00 10.00 H new TER 1239 ARG A 80