USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= -0.0786 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.0421 X(o=-0.036,f=0.43) USER MOD Set 2.1: A 7 THR OG1 : rot 170:sc= -0.116 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -172:sc= 1.24 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 160:sc= 1.12 USER MOD Single : A 1 MET CE :methyl -134:sc= -0.0263 (180deg=-0.235) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.33 (180deg=2.17) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.18) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 1.33 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.045 (180deg=-0.362) USER MOD Single : A 31 GLN : amide:sc= -0.0382 K(o=-0.038,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.00031) USER MOD Single : A 41 GLN : amide:sc= 0.749 K(o=0.75,f=-2.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -41:sc= 1.26 USER MOD Single : A 57 SER OG : rot 73:sc= 1.29 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.798 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.969 K(o=0.97,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0347) USER MOD Single : A 65 SER OG : rot 160:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.573 -6.893 -4.662 1.00 9.67 N ATOM 2 CA MET A 1 11.399 -6.774 -3.178 1.00 10.38 C ATOM 3 C MET A 1 10.035 -7.335 -2.788 1.00 9.62 C ATOM 4 O MET A 1 9.023 -7.069 -3.390 1.00 9.62 O ATOM 5 CB MET A 1 11.486 -5.248 -2.786 1.00 13.77 C ATOM 6 CG MET A 1 11.646 -4.900 -1.304 1.00 16.29 C ATOM 7 SD MET A 1 11.953 -3.108 -0.953 1.00 17.17 S ATOM 8 CE MET A 1 10.216 -2.592 -0.856 1.00 16.11 C ATOM 0 H1 MET A 1 12.557 -6.672 -4.915 1.00 9.67 H new ATOM 0 H2 MET A 1 11.348 -7.863 -4.961 1.00 9.67 H new ATOM 0 H3 MET A 1 10.935 -6.226 -5.141 1.00 9.67 H new ATOM 0 HA MET A 1 12.176 -7.333 -2.656 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.326 -4.811 -3.325 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.584 -4.757 -3.150 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.746 -5.210 -0.774 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.473 -5.482 -0.896 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.076 -1.676 -1.430 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.580 -3.377 -1.264 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.948 -2.412 0.185 1.00 16.11 H new ATOM 20 N GLN A 2 10.001 -8.169 -1.773 1.00 9.27 N ATOM 21 CA GLN A 2 8.786 -8.735 -1.250 1.00 9.07 C ATOM 22 C GLN A 2 8.244 -7.844 -0.154 1.00 8.72 C ATOM 23 O GLN A 2 8.944 -7.599 0.826 1.00 8.22 O ATOM 24 CB GLN A 2 9.079 -10.208 -0.786 1.00 14.46 C ATOM 25 CG GLN A 2 7.963 -10.881 -0.055 1.00 17.01 C ATOM 26 CD GLN A 2 8.315 -12.322 0.298 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.656 -12.587 1.443 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.233 -13.220 -0.712 1.00 19.49 N ATOM 0 H GLN A 2 10.839 -8.477 -1.280 1.00 9.27 H new ATOM 0 HA GLN A 2 8.007 -8.787 -2.010 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.329 -10.805 -1.663 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.960 -10.201 -0.144 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.737 -10.327 0.856 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.063 -10.865 -0.669 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.939 -12.917 -1.641 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.465 -14.199 -0.544 1.00 19.49 H new ATOM 37 N ILE A 3 7.082 -7.263 -0.312 1.00 5.87 N ATOM 38 CA ILE A 3 6.376 -6.635 0.812 1.00 5.07 C ATOM 39 C ILE A 3 5.076 -7.386 1.049 1.00 4.01 C ATOM 40 O ILE A 3 4.609 -8.235 0.251 1.00 4.61 O ATOM 41 CB ILE A 3 6.019 -5.178 0.636 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.961 -4.990 -0.480 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.284 -4.415 0.550 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.379 -3.582 -0.552 1.00 10.83 C ATOM 0 H ILE A 3 6.591 -7.204 -1.204 1.00 5.87 H new ATOM 0 HA ILE A 3 7.077 -6.684 1.645 1.00 5.07 H new ATOM 0 HB ILE A 3 5.492 -4.755 1.491 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.414 -5.234 -1.441 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.149 -5.700 -0.320 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.062 -3.356 0.422 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.858 -4.558 1.466 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.865 -4.769 -0.301 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.647 -3.532 -1.358 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.895 -3.340 0.394 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.179 -2.867 -0.744 1.00 10.83 H new ATOM 56 N PHE A 4 4.450 -7.070 2.185 1.00 4.55 N ATOM 57 CA PHE A 4 3.131 -7.559 2.739 1.00 4.68 C ATOM 58 C PHE A 4 2.213 -6.389 2.913 1.00 5.30 C ATOM 59 O PHE A 4 2.581 -5.282 3.348 1.00 5.58 O ATOM 60 CB PHE A 4 3.284 -8.344 4.057 1.00 4.83 C ATOM 61 CG PHE A 4 4.413 -9.337 3.956 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.398 -10.429 3.055 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.477 -9.183 4.844 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.452 -11.314 2.972 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.523 -10.045 4.807 1.00 10.61 C ATOM 66 CZ PHE A 4 6.538 -11.146 3.865 1.00 8.90 C ATOM 0 H PHE A 4 4.876 -6.399 2.824 1.00 4.55 H new ATOM 0 HA PHE A 4 2.707 -8.264 2.024 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.473 -7.653 4.878 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.354 -8.865 4.286 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.539 -10.572 2.416 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.468 -8.376 5.562 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.449 -12.113 2.246 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.352 -9.910 5.486 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.371 -11.833 3.844 1.00 8.90 H new ATOM 76 N VAL A 5 0.904 -6.592 2.641 1.00 4.44 N ATOM 77 CA VAL A 5 -0.185 -5.664 2.886 1.00 3.87 C ATOM 78 C VAL A 5 -1.135 -6.414 3.840 1.00 4.93 C ATOM 79 O VAL A 5 -1.656 -7.506 3.518 1.00 6.84 O ATOM 80 CB VAL A 5 -1.014 -5.276 1.660 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.958 -4.161 2.134 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.039 -4.657 0.581 1.00 9.13 C ATOM 0 H VAL A 5 0.578 -7.462 2.221 1.00 4.44 H new ATOM 0 HA VAL A 5 0.249 -4.736 3.259 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.550 -6.127 1.239 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.583 -3.835 1.302 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.591 -4.537 2.938 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.371 -3.318 2.499 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.609 -4.372 -0.304 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.451 -3.776 0.996 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.714 -5.395 0.305 1.00 9.13 H new ATOM 92 N LYS A 6 -1.406 -5.806 4.975 1.00 6.04 N ATOM 93 CA LYS A 6 -2.288 -6.309 6.011 1.00 6.12 C ATOM 94 C LYS A 6 -3.637 -5.619 5.895 1.00 6.57 C ATOM 95 O LYS A 6 -3.749 -4.415 6.113 1.00 5.76 O ATOM 96 CB LYS A 6 -1.662 -5.974 7.396 1.00 7.45 C ATOM 97 CG LYS A 6 -0.813 -7.125 8.015 1.00 11.12 C ATOM 98 CD LYS A 6 -1.488 -8.448 8.389 1.00 14.54 C ATOM 99 CE LYS A 6 -0.610 -9.377 9.280 1.00 18.84 C ATOM 100 NZ LYS A 6 0.332 -10.080 8.447 1.00 20.55 N ATOM 0 H LYS A 6 -0.998 -4.902 5.214 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.418 -7.386 5.906 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.033 -5.090 7.292 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.462 -5.716 8.090 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.013 -7.355 7.311 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.341 -6.734 8.916 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.420 -8.234 8.913 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.751 -8.981 7.475 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.082 -8.788 10.030 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.239 -10.087 9.817 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.827 -10.799 9.013 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.174 -10.543 7.665 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.024 -9.406 8.061 1.00 20.55 H new ATOM 114 N THR A 7 -4.708 -6.416 5.668 1.00 7.41 N ATOM 115 CA THR A 7 -6.163 -5.948 5.602 1.00 7.48 C ATOM 116 C THR A 7 -6.926 -5.914 6.921 1.00 8.75 C ATOM 117 O THR A 7 -6.535 -6.522 7.936 1.00 8.58 O ATOM 118 CB THR A 7 -7.050 -6.689 4.609 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.529 -8.006 5.007 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.329 -6.915 3.312 1.00 9.17 C ATOM 0 H THR A 7 -4.612 -7.421 5.520 1.00 7.41 H new ATOM 0 HA THR A 7 -5.989 -4.927 5.261 1.00 7.48 H new ATOM 0 HB THR A 7 -7.910 -6.023 4.538 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.210 -8.312 4.372 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.983 -7.446 2.620 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.047 -5.955 2.881 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.433 -7.509 3.492 1.00 9.17 H new ATOM 128 N LEU A 8 -8.038 -5.188 6.905 1.00 9.84 N ATOM 129 CA LEU A 8 -8.846 -5.106 8.089 1.00 14.15 C ATOM 130 C LEU A 8 -9.493 -6.381 8.550 1.00 17.37 C ATOM 131 O LEU A 8 -9.936 -6.494 9.675 1.00 17.01 O ATOM 132 CB LEU A 8 -9.861 -3.959 7.875 1.00 16.63 C ATOM 133 CG LEU A 8 -9.278 -2.558 7.606 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.342 -1.697 6.996 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.706 -1.825 8.895 1.00 18.59 C ATOM 0 H LEU A 8 -8.384 -4.664 6.101 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.178 -4.897 8.925 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.504 -4.226 7.037 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.497 -3.899 8.758 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.432 -2.705 6.934 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.939 -0.703 6.802 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.677 -2.142 6.059 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.185 -1.619 7.683 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.316 -0.847 8.614 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.504 -1.701 9.627 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.905 -2.424 9.329 1.00 18.59 H new ATOM 147 N THR A 9 -9.551 -7.452 7.671 1.00 18.33 N ATOM 148 CA THR A 9 -10.146 -8.766 7.932 1.00 19.24 C ATOM 149 C THR A 9 -9.023 -9.750 8.235 1.00 19.48 C ATOM 150 O THR A 9 -9.285 -10.960 8.326 1.00 23.14 O ATOM 151 CB THR A 9 -10.971 -9.296 6.831 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.473 -9.128 5.507 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.310 -8.523 6.919 1.00 19.70 C ATOM 0 H THR A 9 -9.160 -7.389 6.731 1.00 18.33 H new ATOM 0 HA THR A 9 -10.824 -8.639 8.776 1.00 19.24 H new ATOM 0 HB THR A 9 -11.020 -10.376 6.970 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.104 -9.520 4.868 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.979 -8.863 6.129 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.772 -8.705 7.889 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.122 -7.456 6.801 1.00 19.70 H new ATOM 161 N GLY A 10 -7.753 -9.289 8.393 1.00 19.43 N ATOM 162 CA GLY A 10 -6.617 -10.031 8.835 1.00 18.74 C ATOM 163 C GLY A 10 -5.936 -10.791 7.699 1.00 17.62 C ATOM 164 O GLY A 10 -5.110 -11.629 7.920 1.00 19.74 O ATOM 0 H GLY A 10 -7.516 -8.318 8.192 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.899 -9.351 9.294 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.926 -10.737 9.606 1.00 18.74 H new ATOM 168 N LYS A 11 -6.282 -10.421 6.473 1.00 13.56 N ATOM 169 CA LYS A 11 -5.645 -11.005 5.292 1.00 11.91 C ATOM 170 C LYS A 11 -4.292 -10.349 5.063 1.00 10.18 C ATOM 171 O LYS A 11 -4.060 -9.099 5.116 1.00 9.10 O ATOM 172 CB LYS A 11 -6.603 -10.889 4.139 1.00 13.43 C ATOM 173 CG LYS A 11 -6.325 -11.827 2.924 1.00 16.69 C ATOM 174 CD LYS A 11 -7.505 -11.827 1.992 1.00 17.92 C ATOM 175 CE LYS A 11 -7.539 -13.048 1.087 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.457 -12.959 0.027 1.00 21.93 N ATOM 0 H LYS A 11 -6.996 -9.723 6.267 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.431 -12.066 5.421 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.609 -11.091 4.506 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.594 -9.858 3.786 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.433 -11.494 2.394 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.128 -12.840 3.274 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.424 -11.788 2.576 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.478 -10.926 1.379 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.400 -13.951 1.681 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.516 -13.127 0.611 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.395 -13.863 -0.483 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.690 -12.199 -0.643 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -5.543 -12.754 0.480 1.00 21.93 H new ATOM 190 N THR A 12 -3.298 -11.228 4.794 1.00 9.63 N ATOM 191 CA THR A 12 -1.914 -10.830 4.470 1.00 9.85 C ATOM 192 C THR A 12 -1.826 -11.050 3.010 1.00 11.66 C ATOM 193 O THR A 12 -2.097 -12.143 2.496 1.00 12.33 O ATOM 194 CB THR A 12 -0.828 -11.615 5.201 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.016 -11.543 6.616 1.00 10.91 O ATOM 196 CG2 THR A 12 0.607 -11.090 4.999 1.00 9.63 C ATOM 0 H THR A 12 -3.438 -12.238 4.797 1.00 9.63 H new ATOM 0 HA THR A 12 -1.731 -9.804 4.788 1.00 9.85 H new ATOM 0 HB THR A 12 -0.925 -12.616 4.781 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.537 -12.281 7.048 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.305 -11.714 5.558 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.860 -11.122 3.939 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.672 -10.062 5.357 1.00 9.63 H new ATOM 204 N ILE A 13 -1.545 -10.049 2.222 1.00 10.42 N ATOM 205 CA ILE A 13 -1.382 -10.069 0.816 1.00 11.84 C ATOM 206 C ILE A 13 0.044 -9.933 0.494 1.00 10.55 C ATOM 207 O ILE A 13 0.647 -9.001 1.004 1.00 11.92 O ATOM 208 CB ILE A 13 -2.222 -8.934 0.250 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.662 -8.771 0.781 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.069 -8.903 -1.293 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.372 -7.511 0.260 1.00 16.46 C ATOM 0 H ILE A 13 -1.414 -9.110 2.599 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.716 -11.007 0.374 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.804 -8.016 0.663 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.245 -9.648 0.501 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.637 -8.740 1.870 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.670 -8.091 -1.702 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.022 -8.746 -1.552 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.408 -9.851 -1.711 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.379 -7.463 0.675 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.812 -6.626 0.563 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.429 -7.549 -0.828 1.00 16.46 H new ATOM 223 N THR A 14 0.731 -10.740 -0.335 1.00 9.39 N ATOM 224 CA THR A 14 2.151 -10.771 -0.577 1.00 9.63 C ATOM 225 C THR A 14 2.469 -10.240 -1.929 1.00 11.20 C ATOM 226 O THR A 14 1.902 -10.595 -2.932 1.00 11.63 O ATOM 227 CB THR A 14 2.734 -12.168 -0.491 1.00 10.38 C ATOM 228 OG1 THR A 14 2.468 -12.734 0.740 1.00 16.30 O ATOM 229 CG2 THR A 14 4.282 -12.146 -0.651 1.00 11.66 C ATOM 0 H THR A 14 0.246 -11.442 -0.893 1.00 9.39 H new ATOM 0 HA THR A 14 2.593 -10.152 0.204 1.00 9.63 H new ATOM 0 HB THR A 14 2.276 -12.745 -1.294 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.851 -13.635 0.775 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.669 -13.163 -0.585 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.542 -11.722 -1.621 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.721 -11.538 0.140 1.00 11.66 H new ATOM 237 N LEU A 15 3.333 -9.181 -2.027 1.00 8.29 N ATOM 238 CA LEU A 15 3.492 -8.473 -3.321 1.00 9.03 C ATOM 239 C LEU A 15 4.948 -8.338 -3.693 1.00 8.59 C ATOM 240 O LEU A 15 5.774 -7.919 -2.878 1.00 7.79 O ATOM 241 CB LEU A 15 2.836 -7.011 -3.276 1.00 11.08 C ATOM 242 CG LEU A 15 1.336 -6.996 -3.041 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.860 -5.591 -2.757 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.651 -7.676 -4.159 1.00 15.27 C ATOM 0 H LEU A 15 3.901 -8.819 -1.261 1.00 8.29 H new ATOM 0 HA LEU A 15 2.978 -9.074 -4.071 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.319 -6.435 -2.487 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.048 -6.503 -4.217 1.00 11.08 H new ATOM 0 HG LEU A 15 1.078 -7.564 -2.147 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.217 -5.598 -2.591 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.362 -5.210 -1.868 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.092 -4.950 -3.607 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.425 -7.664 -3.988 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.876 -7.159 -5.092 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.996 -8.708 -4.224 1.00 15.27 H new ATOM 256 N GLU A 16 5.359 -8.707 -4.934 1.00 11.04 N ATOM 257 CA GLU A 16 6.728 -8.467 -5.447 1.00 11.50 C ATOM 258 C GLU A 16 6.802 -7.058 -6.014 1.00 10.13 C ATOM 259 O GLU A 16 6.597 -6.821 -7.211 1.00 9.83 O ATOM 260 CB GLU A 16 7.235 -9.388 -6.630 1.00 17.22 C ATOM 261 CG GLU A 16 8.737 -9.419 -6.906 1.00 23.33 C ATOM 262 CD GLU A 16 9.551 -10.014 -5.795 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.227 -11.122 -5.323 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.605 -9.377 -5.482 1.00 28.86 O ATOM 0 H GLU A 16 4.750 -9.178 -5.603 1.00 11.04 H new ATOM 0 HA GLU A 16 7.352 -8.672 -4.577 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.910 -10.408 -6.425 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.732 -9.070 -7.543 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.916 -9.988 -7.818 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.083 -8.402 -7.091 1.00 23.33 H new ATOM 271 N VAL A 17 7.117 -6.008 -5.211 1.00 8.99 N ATOM 272 CA VAL A 17 7.260 -4.606 -5.592 1.00 8.85 C ATOM 273 C VAL A 17 8.701 -4.310 -5.922 1.00 8.04 C ATOM 274 O VAL A 17 9.631 -5.104 -5.727 1.00 8.99 O ATOM 275 CB VAL A 17 6.733 -3.665 -4.549 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.206 -3.787 -4.506 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.352 -3.962 -3.170 1.00 10.54 C ATOM 0 H VAL A 17 7.286 -6.144 -4.214 1.00 8.99 H new ATOM 0 HA VAL A 17 6.650 -4.441 -6.480 1.00 8.85 H new ATOM 0 HB VAL A 17 7.009 -2.643 -4.808 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.808 -3.108 -3.752 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.793 -3.529 -5.481 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.930 -4.811 -4.255 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.952 -3.265 -2.434 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.108 -4.982 -2.874 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.435 -3.849 -3.225 1.00 10.54 H new ATOM 287 N GLU A 18 9.006 -3.127 -6.418 1.00 7.29 N ATOM 288 CA GLU A 18 10.360 -2.586 -6.443 1.00 7.08 C ATOM 289 C GLU A 18 10.544 -1.630 -5.280 1.00 6.45 C ATOM 290 O GLU A 18 9.537 -1.069 -4.835 1.00 5.28 O ATOM 291 CB GLU A 18 10.636 -1.866 -7.788 1.00 10.28 C ATOM 292 CG GLU A 18 10.833 -2.929 -8.916 1.00 12.65 C ATOM 293 CD GLU A 18 12.247 -3.461 -8.909 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.162 -2.585 -8.913 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.495 -4.685 -8.907 1.00 14.33 O ATOM 0 H GLU A 18 8.311 -2.500 -6.823 1.00 7.29 H new ATOM 0 HA GLU A 18 11.072 -3.406 -6.348 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.805 -1.206 -8.037 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.525 -1.241 -7.703 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.130 -3.750 -8.775 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.612 -2.483 -9.886 1.00 12.65 H new ATOM 302 N PRO A 19 11.690 -1.257 -4.714 1.00 7.24 N ATOM 303 CA PRO A 19 11.834 -0.190 -3.722 1.00 7.07 C ATOM 304 C PRO A 19 11.655 1.201 -4.359 1.00 6.65 C ATOM 305 O PRO A 19 11.658 2.163 -3.602 1.00 6.37 O ATOM 306 CB PRO A 19 13.262 -0.340 -3.276 1.00 7.61 C ATOM 307 CG PRO A 19 13.948 -0.706 -4.621 1.00 8.16 C ATOM 308 CD PRO A 19 12.967 -1.679 -5.223 1.00 7.49 C ATOM 0 HA PRO A 19 11.095 -0.265 -2.924 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.660 0.579 -2.846 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.381 -1.121 -2.525 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.095 0.169 -5.255 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.928 -1.158 -4.469 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.992 -1.646 -6.312 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.193 -2.704 -4.930 1.00 7.49 H new ATOM 316 N SER A 20 11.503 1.351 -5.663 1.00 6.80 N ATOM 317 CA SER A 20 11.347 2.526 -6.492 1.00 6.28 C ATOM 318 C SER A 20 9.940 2.692 -7.032 1.00 8.45 C ATOM 319 O SER A 20 9.574 3.629 -7.709 1.00 7.26 O ATOM 320 CB SER A 20 12.158 2.394 -7.866 1.00 8.57 C ATOM 321 OG SER A 20 11.936 1.151 -8.518 1.00 11.13 O ATOM 0 H SER A 20 11.484 0.517 -6.250 1.00 6.80 H new ATOM 0 HA SER A 20 11.669 3.333 -5.833 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.869 3.206 -8.533 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.223 2.510 -7.667 1.00 8.57 H new ATOM 0 HG SER A 20 12.452 1.122 -9.351 1.00 11.13 H new ATOM 327 N ASP A 21 9.010 1.802 -6.661 1.00 7.50 N ATOM 328 CA ASP A 21 7.605 1.984 -7.122 1.00 7.70 C ATOM 329 C ASP A 21 6.888 3.111 -6.380 1.00 7.08 C ATOM 330 O ASP A 21 7.049 3.291 -5.216 1.00 8.11 O ATOM 331 CB ASP A 21 6.879 0.659 -6.892 1.00 11.00 C ATOM 332 CG ASP A 21 7.333 -0.398 -7.906 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.933 -0.114 -8.944 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.040 -1.595 -7.626 1.00 14.36 O ATOM 0 H ASP A 21 9.179 0.985 -6.074 1.00 7.50 H new ATOM 0 HA ASP A 21 7.606 2.264 -8.175 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.073 0.304 -5.880 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.803 0.810 -6.976 1.00 11.00 H new ATOM 339 N THR A 22 5.982 3.868 -7.054 1.00 5.37 N ATOM 340 CA THR A 22 5.053 4.782 -6.433 1.00 6.01 C ATOM 341 C THR A 22 4.017 4.085 -5.634 1.00 8.01 C ATOM 342 O THR A 22 3.669 2.920 -5.860 1.00 8.11 O ATOM 343 CB THR A 22 4.370 5.818 -7.259 1.00 8.92 C ATOM 344 OG1 THR A 22 3.475 5.212 -8.184 1.00 10.22 O ATOM 345 CG2 THR A 22 5.461 6.532 -8.067 1.00 9.65 C ATOM 0 H THR A 22 5.895 3.841 -8.070 1.00 5.37 H new ATOM 0 HA THR A 22 5.759 5.343 -5.821 1.00 6.01 H new ATOM 0 HB THR A 22 3.811 6.496 -6.614 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.035 5.907 -8.717 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.007 7.303 -8.690 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.177 6.991 -7.385 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.976 5.810 -8.701 1.00 9.65 H new ATOM 353 N ILE A 23 3.529 4.721 -4.590 1.00 8.32 N ATOM 354 CA ILE A 23 2.440 4.270 -3.663 1.00 9.92 C ATOM 355 C ILE A 23 1.163 3.855 -4.489 1.00 10.01 C ATOM 356 O ILE A 23 0.553 2.837 -4.311 1.00 8.71 O ATOM 357 CB ILE A 23 2.155 5.154 -2.476 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.383 5.507 -1.738 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.065 4.589 -1.548 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.111 4.302 -1.058 1.00 12.30 C ATOM 0 H ILE A 23 3.890 5.637 -4.323 1.00 8.32 H new ATOM 0 HA ILE A 23 2.827 3.384 -3.160 1.00 9.92 H new ATOM 0 HB ILE A 23 1.749 6.079 -2.885 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.077 5.991 -2.426 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.131 6.240 -0.972 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.907 5.272 -0.714 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.135 4.476 -2.105 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.379 3.617 -1.167 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.001 4.660 -0.541 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.440 3.829 -0.341 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.400 3.576 -1.818 1.00 12.30 H new ATOM 372 N GLU A 24 0.815 4.686 -5.481 1.00 9.54 N ATOM 373 CA GLU A 24 -0.221 4.379 -6.481 1.00 11.81 C ATOM 374 C GLU A 24 -0.014 3.083 -7.235 1.00 11.14 C ATOM 375 O GLU A 24 -0.988 2.320 -7.360 1.00 10.62 O ATOM 376 CB GLU A 24 -0.386 5.640 -7.378 1.00 19.24 C ATOM 377 CG GLU A 24 -1.696 5.674 -8.082 1.00 27.76 C ATOM 378 CD GLU A 24 -1.839 6.908 -8.903 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.842 7.522 -9.389 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.008 7.183 -9.253 1.00 34.80 O ATOM 0 H GLU A 24 1.248 5.600 -5.614 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.163 4.170 -5.974 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.285 6.534 -6.763 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.418 5.666 -8.113 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.790 4.796 -8.722 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.504 5.625 -7.352 1.00 27.76 H new ATOM 387 N ASN A 25 1.186 2.771 -7.708 1.00 9.43 N ATOM 388 CA ASN A 25 1.378 1.542 -8.444 1.00 10.96 C ATOM 389 C ASN A 25 1.322 0.275 -7.567 1.00 9.68 C ATOM 390 O ASN A 25 0.887 -0.775 -8.071 1.00 9.33 O ATOM 391 CB ASN A 25 2.656 1.713 -9.314 1.00 16.78 C ATOM 392 CG ASN A 25 2.303 2.681 -10.478 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.384 2.489 -11.267 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.892 3.868 -10.413 1.00 24.70 N ATOM 0 H ASN A 25 2.022 3.344 -7.595 1.00 9.43 H new ATOM 0 HA ASN A 25 0.536 1.363 -9.113 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.475 2.114 -8.717 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.987 0.750 -9.703 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.581 4.626 -11.021 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.656 4.023 -9.755 1.00 24.70 H new ATOM 401 N VAL A 26 1.611 0.426 -6.256 1.00 6.52 N ATOM 402 CA VAL A 26 1.396 -0.637 -5.190 1.00 5.53 C ATOM 403 C VAL A 26 -0.095 -0.985 -4.946 1.00 4.42 C ATOM 404 O VAL A 26 -0.476 -2.127 -4.739 1.00 3.40 O ATOM 405 CB VAL A 26 2.171 -0.361 -3.877 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.989 -1.591 -2.941 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.676 -0.193 -4.134 1.00 8.12 C ATOM 0 H VAL A 26 2.005 1.289 -5.881 1.00 6.52 H new ATOM 0 HA VAL A 26 1.839 -1.540 -5.610 1.00 5.53 H new ATOM 0 HB VAL A 26 1.783 0.557 -3.435 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.526 -1.421 -2.008 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.929 -1.733 -2.729 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.384 -2.482 -3.430 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.187 -0.001 -3.191 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.072 -1.104 -4.582 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.838 0.645 -4.812 1.00 8.12 H new ATOM 417 N LYS A 27 -0.910 0.075 -4.997 1.00 2.64 N ATOM 418 CA LYS A 27 -2.337 -0.045 -4.958 1.00 4.14 C ATOM 419 C LYS A 27 -2.893 -0.745 -6.124 1.00 5.58 C ATOM 420 O LYS A 27 -3.969 -1.359 -6.027 1.00 4.11 O ATOM 421 CB LYS A 27 -3.162 1.326 -4.766 1.00 3.97 C ATOM 422 CG LYS A 27 -2.749 2.050 -3.463 1.00 7.45 C ATOM 423 CD LYS A 27 -3.671 3.216 -3.118 1.00 9.02 C ATOM 424 CE LYS A 27 -2.955 4.338 -2.407 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.982 5.352 -2.256 1.00 15.47 N ATOM 0 H LYS A 27 -0.577 1.037 -5.067 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.473 -0.636 -4.052 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.988 1.981 -5.620 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.230 1.110 -4.742 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.750 1.336 -2.640 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.728 2.418 -3.565 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.121 3.601 -4.033 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.486 2.855 -2.490 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.563 4.016 -1.442 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.109 4.706 -2.988 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.637 6.104 -1.626 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.210 5.757 -3.187 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.836 4.923 -1.847 1.00 15.47 H new ATOM 439 N ALA A 28 -2.338 -0.578 -7.383 1.00 6.61 N ATOM 440 CA ALA A 28 -2.846 -1.300 -8.517 1.00 7.74 C ATOM 441 C ALA A 28 -2.680 -2.795 -8.409 1.00 9.17 C ATOM 442 O ALA A 28 -3.566 -3.580 -8.825 1.00 11.45 O ATOM 443 CB ALA A 28 -2.141 -0.765 -9.762 1.00 7.68 C ATOM 0 H ALA A 28 -1.558 0.046 -7.589 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.923 -1.139 -8.570 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.506 -1.294 -10.642 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.347 0.300 -9.868 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.066 -0.918 -9.666 1.00 7.68 H new ATOM 449 N LYS A 29 -1.540 -3.254 -7.830 1.00 8.96 N ATOM 450 CA LYS A 29 -1.317 -4.612 -7.385 1.00 7.90 C ATOM 451 C LYS A 29 -2.233 -5.077 -6.252 1.00 6.92 C ATOM 452 O LYS A 29 -2.689 -6.245 -6.263 1.00 6.87 O ATOM 453 CB LYS A 29 0.170 -4.838 -6.970 1.00 10.28 C ATOM 454 CG LYS A 29 1.180 -4.758 -8.170 1.00 14.94 C ATOM 455 CD LYS A 29 2.688 -4.741 -7.763 1.00 19.69 C ATOM 456 CE LYS A 29 3.581 -4.445 -8.941 1.00 22.63 C ATOM 457 NZ LYS A 29 3.355 -3.081 -9.476 1.00 24.98 N ATOM 0 H LYS A 29 -0.736 -2.649 -7.664 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.566 -5.221 -8.254 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.447 -4.093 -6.224 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.261 -5.815 -6.495 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.006 -5.609 -8.829 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.965 -3.859 -8.747 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.847 -3.991 -6.988 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.960 -5.705 -7.334 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.624 -4.549 -8.642 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.400 -5.178 -9.727 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.166 -2.800 -10.064 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.490 -3.073 -10.053 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.251 -2.412 -8.687 1.00 24.98 H new ATOM 471 N ILE A 30 -2.559 -4.274 -5.150 1.00 4.57 N ATOM 472 CA ILE A 30 -3.657 -4.724 -4.277 1.00 5.58 C ATOM 473 C ILE A 30 -4.915 -4.846 -4.974 1.00 7.26 C ATOM 474 O ILE A 30 -5.721 -5.743 -4.681 1.00 9.46 O ATOM 475 CB ILE A 30 -3.794 -3.807 -3.124 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.505 -3.683 -2.306 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.001 -4.141 -2.207 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.479 -2.430 -1.425 1.00 2.00 C ATOM 0 H ILE A 30 -2.105 -3.398 -4.891 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.397 -5.722 -3.925 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.996 -2.833 -3.570 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.393 -4.566 -1.677 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.651 -3.663 -2.983 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.040 -3.429 -1.383 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.924 -4.080 -2.784 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.888 -5.150 -1.810 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.542 -2.396 -0.869 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.562 -1.542 -2.052 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.315 -2.459 -0.726 1.00 2.00 H new ATOM 490 N GLN A 31 -5.214 -3.926 -5.967 1.00 7.06 N ATOM 491 CA GLN A 31 -6.394 -4.025 -6.789 1.00 8.67 C ATOM 492 C GLN A 31 -6.448 -5.315 -7.624 1.00 10.90 C ATOM 493 O GLN A 31 -7.463 -6.015 -7.657 1.00 9.63 O ATOM 494 CB GLN A 31 -6.512 -2.850 -7.849 1.00 9.12 C ATOM 495 CG GLN A 31 -7.939 -2.758 -8.458 1.00 10.76 C ATOM 496 CD GLN A 31 -7.871 -1.629 -9.590 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.736 -1.319 -9.975 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.032 -1.203 -10.052 1.00 14.76 N ATOM 0 H GLN A 31 -4.625 -3.122 -6.184 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.202 -3.991 -6.059 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.260 -1.903 -7.371 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.786 -3.007 -8.647 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.244 -3.715 -8.881 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.672 -2.499 -7.694 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.901 -1.543 -9.639 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.060 -0.534 -10.822 1.00 14.76 H new ATOM 507 N ASP A 32 -5.309 -5.731 -8.201 1.00 10.93 N ATOM 508 CA ASP A 32 -5.218 -7.002 -8.939 1.00 14.01 C ATOM 509 C ASP A 32 -5.523 -8.253 -8.046 1.00 14.04 C ATOM 510 O ASP A 32 -6.258 -9.230 -8.410 1.00 13.39 O ATOM 511 CB ASP A 32 -3.782 -7.177 -9.501 1.00 18.01 C ATOM 512 CG ASP A 32 -3.720 -8.174 -10.619 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.534 -8.056 -11.527 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.894 -9.088 -10.573 1.00 25.17 O ATOM 0 H ASP A 32 -4.436 -5.204 -8.171 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.965 -6.948 -9.731 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.415 -6.214 -9.856 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.117 -7.495 -8.698 1.00 18.01 H new ATOM 519 N LYS A 33 -5.062 -8.203 -6.809 1.00 14.22 N ATOM 520 CA LYS A 33 -5.313 -9.304 -5.890 1.00 14.00 C ATOM 521 C LYS A 33 -6.716 -9.310 -5.277 1.00 12.37 C ATOM 522 O LYS A 33 -7.348 -10.368 -5.302 1.00 12.17 O ATOM 523 CB LYS A 33 -4.286 -9.143 -4.734 1.00 18.62 C ATOM 524 CG LYS A 33 -2.869 -9.338 -5.191 1.00 24.00 C ATOM 525 CD LYS A 33 -2.553 -10.783 -5.596 1.00 27.61 C ATOM 526 CE LYS A 33 -1.152 -10.803 -6.183 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.860 -12.149 -6.696 1.00 30.06 N ATOM 0 H LYS A 33 -4.522 -7.429 -6.421 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.222 -10.236 -6.448 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.390 -8.150 -4.296 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.513 -9.863 -3.948 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.675 -8.680 -6.038 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.192 -9.036 -4.391 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.615 -11.444 -4.732 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.278 -11.143 -6.326 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.071 -10.070 -6.986 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.422 -10.525 -5.422 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.099 -12.167 -7.099 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.922 -12.838 -5.919 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.550 -12.397 -7.434 1.00 30.06 H new ATOM 541 N GLU A 34 -7.212 -8.131 -4.767 1.00 10.11 N ATOM 542 CA GLU A 34 -8.336 -8.052 -3.913 1.00 10.07 C ATOM 543 C GLU A 34 -9.536 -7.227 -4.529 1.00 9.32 C ATOM 544 O GLU A 34 -10.686 -7.381 -4.133 1.00 11.61 O ATOM 545 CB GLU A 34 -7.977 -7.439 -2.548 1.00 14.77 C ATOM 546 CG GLU A 34 -7.109 -8.423 -1.620 1.00 18.75 C ATOM 547 CD GLU A 34 -7.889 -9.684 -1.300 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.095 -9.609 -0.992 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.302 -10.822 -1.476 1.00 25.19 O ATOM 0 H GLU A 34 -6.797 -7.222 -4.973 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.658 -9.085 -3.786 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.421 -6.515 -2.707 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.895 -7.172 -2.024 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.179 -8.683 -2.127 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.837 -7.913 -0.696 1.00 18.75 H new ATOM 556 N GLY A 35 -9.290 -6.464 -5.605 1.00 7.22 N ATOM 557 CA GLY A 35 -10.344 -5.860 -6.428 1.00 6.29 C ATOM 558 C GLY A 35 -10.792 -4.479 -5.955 1.00 6.93 C ATOM 559 O GLY A 35 -11.903 -4.009 -6.314 1.00 7.41 O ATOM 0 H GLY A 35 -8.347 -6.249 -5.929 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.988 -5.782 -7.455 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.207 -6.526 -6.439 1.00 6.29 H new ATOM 563 N ILE A 36 -10.079 -3.807 -5.035 1.00 5.86 N ATOM 564 CA ILE A 36 -10.489 -2.673 -4.296 1.00 6.07 C ATOM 565 C ILE A 36 -10.030 -1.466 -5.121 1.00 6.36 C ATOM 566 O ILE A 36 -8.882 -1.487 -5.524 1.00 6.18 O ATOM 567 CB ILE A 36 -9.789 -2.626 -2.936 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.850 -3.992 -2.202 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.338 -1.436 -2.120 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.190 -3.879 -0.850 1.00 9.49 C ATOM 0 H ILE A 36 -9.130 -4.092 -4.794 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.564 -2.690 -4.119 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.722 -2.451 -3.077 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.887 -4.306 -2.085 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.351 -4.757 -2.797 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.841 -1.400 -1.150 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.150 -0.508 -2.659 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.411 -1.559 -1.974 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.237 -4.842 -0.341 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.148 -3.586 -0.977 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.708 -3.128 -0.254 1.00 9.49 H new ATOM 582 N PRO A 37 -10.833 -0.524 -5.561 1.00 8.65 N ATOM 583 CA PRO A 37 -10.352 0.712 -6.198 1.00 9.18 C ATOM 584 C PRO A 37 -9.183 1.475 -5.449 1.00 9.85 C ATOM 585 O PRO A 37 -9.371 1.788 -4.267 1.00 8.51 O ATOM 586 CB PRO A 37 -11.652 1.505 -6.412 1.00 11.42 C ATOM 587 CG PRO A 37 -12.730 0.471 -6.484 1.00 9.27 C ATOM 588 CD PRO A 37 -12.284 -0.550 -5.429 1.00 8.33 C ATOM 0 HA PRO A 37 -9.823 0.520 -7.132 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.828 2.202 -5.593 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.609 2.094 -7.328 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.710 0.890 -6.254 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.799 0.025 -7.476 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.606 -0.266 -4.427 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.692 -1.542 -5.625 1.00 8.33 H new ATOM 596 N PRO A 38 -8.044 1.783 -6.052 1.00 8.71 N ATOM 597 CA PRO A 38 -6.954 2.624 -5.434 1.00 9.08 C ATOM 598 C PRO A 38 -7.434 3.901 -4.778 1.00 9.28 C ATOM 599 O PRO A 38 -6.841 4.270 -3.785 1.00 6.50 O ATOM 600 CB PRO A 38 -6.021 2.808 -6.562 1.00 10.31 C ATOM 601 CG PRO A 38 -6.093 1.523 -7.396 1.00 10.81 C ATOM 602 CD PRO A 38 -7.593 1.147 -7.274 1.00 12.00 C ATOM 0 HA PRO A 38 -6.482 2.147 -4.575 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.301 3.675 -7.160 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.007 2.982 -6.203 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.797 1.691 -8.431 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.443 0.743 -7.001 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.159 1.502 -8.135 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.726 0.066 -7.228 1.00 12.00 H new ATOM 610 N ASP A 39 -8.481 4.495 -5.317 1.00 11.20 N ATOM 611 CA ASP A 39 -9.104 5.638 -4.759 1.00 14.96 C ATOM 612 C ASP A 39 -9.599 5.432 -3.348 1.00 13.99 C ATOM 613 O ASP A 39 -9.434 6.254 -2.422 1.00 13.75 O ATOM 614 CB ASP A 39 -10.331 6.015 -5.627 1.00 24.16 C ATOM 615 CG ASP A 39 -9.820 6.587 -6.916 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.443 5.799 -7.824 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.764 7.845 -7.094 1.00 34.22 O ATOM 0 H ASP A 39 -8.920 4.172 -6.179 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.345 6.420 -4.737 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.949 5.138 -5.817 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.958 6.741 -5.109 1.00 24.16 H new ATOM 622 N GLN A 40 -10.208 4.257 -3.044 1.00 11.60 N ATOM 623 CA GLN A 40 -10.675 3.819 -1.778 1.00 10.76 C ATOM 624 C GLN A 40 -9.565 3.309 -0.819 1.00 8.01 C ATOM 625 O GLN A 40 -9.734 3.404 0.405 1.00 8.96 O ATOM 626 CB GLN A 40 -11.753 2.730 -2.000 1.00 11.14 C ATOM 627 CG GLN A 40 -12.786 2.581 -0.868 1.00 14.85 C ATOM 628 CD GLN A 40 -13.759 1.457 -1.249 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.934 0.334 -0.750 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.491 1.789 -2.374 1.00 18.16 N ATOM 0 H GLN A 40 -10.382 3.559 -3.767 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.094 4.690 -1.274 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.284 2.952 -2.926 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.253 1.772 -2.141 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.287 2.349 0.073 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.325 3.517 -0.721 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.371 2.704 -2.809 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.151 1.119 -2.769 1.00 18.16 H new ATOM 639 N GLN A 41 -8.476 2.708 -1.330 1.00 6.52 N ATOM 640 CA GLN A 41 -7.317 2.246 -0.512 1.00 3.87 C ATOM 641 C GLN A 41 -6.420 3.330 0.055 1.00 4.79 C ATOM 642 O GLN A 41 -5.877 4.197 -0.667 1.00 6.34 O ATOM 643 CB GLN A 41 -6.445 1.396 -1.462 1.00 4.20 C ATOM 644 CG GLN A 41 -6.919 -0.012 -1.859 1.00 3.20 C ATOM 645 CD GLN A 41 -5.962 -0.546 -2.911 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.744 -0.571 -2.668 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.336 -0.998 -4.112 1.00 7.13 N ATOM 0 H GLN A 41 -8.365 2.523 -2.327 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.732 1.727 0.352 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.308 1.967 -2.380 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.462 1.293 -1.001 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.935 -0.669 -0.989 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.936 0.024 -2.251 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.323 -1.003 -4.370 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.635 -1.338 -4.770 1.00 7.13 H new ATOM 656 N ARG A 42 -6.201 3.245 1.392 1.00 5.73 N ATOM 657 CA ARG A 42 -5.332 4.121 2.064 1.00 6.97 C ATOM 658 C ARG A 42 -4.293 3.319 2.827 1.00 7.15 C ATOM 659 O ARG A 42 -4.607 2.392 3.617 1.00 7.33 O ATOM 660 CB ARG A 42 -6.248 4.976 2.990 1.00 13.23 C ATOM 661 CG ARG A 42 -6.926 6.102 2.195 1.00 21.27 C ATOM 662 CD ARG A 42 -7.676 7.038 3.098 1.00 26.14 C ATOM 663 NE ARG A 42 -8.261 8.157 2.221 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.720 9.284 2.790 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.933 9.352 4.063 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.929 10.392 2.056 1.00 36.39 N ATOM 0 H ARG A 42 -6.644 2.551 1.995 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.768 4.772 1.396 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.006 4.340 3.447 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.657 5.402 3.801 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.173 6.659 1.636 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.611 5.672 1.465 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.470 6.509 3.624 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.012 7.453 3.857 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.301 8.044 1.208 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.752 8.541 4.654 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.282 10.217 4.476 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.739 10.383 1.054 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.278 11.241 2.502 1.00 36.39 H new ATOM 680 N LEU A 43 -2.993 3.515 2.500 1.00 4.65 N ATOM 681 CA LEU A 43 -1.937 2.719 2.983 1.00 3.51 C ATOM 682 C LEU A 43 -1.126 3.333 4.060 1.00 5.56 C ATOM 683 O LEU A 43 -0.621 4.491 3.969 1.00 4.19 O ATOM 684 CB LEU A 43 -0.993 2.221 1.856 1.00 3.74 C ATOM 685 CG LEU A 43 -1.714 1.425 0.760 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.744 1.184 -0.390 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.196 0.114 1.281 1.00 6.41 C ATOM 0 H LEU A 43 -2.686 4.260 1.875 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.459 1.870 3.424 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.496 3.079 1.403 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.214 1.597 2.295 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.577 1.997 0.419 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.245 0.619 -1.176 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.408 2.141 -0.789 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.116 0.620 -0.029 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.703 -0.430 0.484 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.347 -0.471 1.636 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.890 0.283 2.104 1.00 6.41 H new ATOM 699 N ILE A 44 -0.834 2.591 5.165 1.00 4.58 N ATOM 700 CA ILE A 44 -0.189 3.095 6.416 1.00 5.55 C ATOM 701 C ILE A 44 1.124 2.345 6.657 1.00 5.46 C ATOM 702 O ILE A 44 1.259 1.195 6.282 1.00 6.04 O ATOM 703 CB ILE A 44 -1.144 2.766 7.586 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.572 3.439 7.314 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.566 3.315 8.863 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.530 4.951 7.111 1.00 13.90 C ATOM 0 H ILE A 44 -1.047 1.595 5.213 1.00 4.58 H new ATOM 0 HA ILE A 44 0.008 4.164 6.336 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.263 1.686 7.671 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.014 2.979 6.431 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.231 3.216 8.153 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.235 3.086 9.693 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.408 2.861 9.046 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.452 4.396 8.776 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.539 5.322 6.933 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.120 5.426 8.002 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.901 5.186 6.253 1.00 13.90 H new ATOM 718 N PHE A 45 2.113 3.007 7.203 1.00 6.75 N ATOM 719 CA PHE A 45 3.338 2.331 7.784 1.00 4.70 C ATOM 720 C PHE A 45 4.036 3.251 8.750 1.00 6.34 C ATOM 721 O PHE A 45 4.250 4.397 8.382 1.00 5.45 O ATOM 722 CB PHE A 45 4.264 1.818 6.620 1.00 5.51 C ATOM 723 CG PHE A 45 5.623 1.252 7.031 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.609 0.048 7.704 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.830 1.950 6.778 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.754 -0.410 8.259 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.979 1.405 7.353 1.00 6.64 C ATOM 728 CZ PHE A 45 7.977 0.253 8.115 1.00 6.84 C ATOM 0 H PHE A 45 2.131 4.024 7.277 1.00 6.75 H new ATOM 0 HA PHE A 45 3.046 1.454 8.362 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.725 1.047 6.070 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.433 2.644 5.929 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.695 -0.522 7.787 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.859 2.847 6.178 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.723 -1.323 8.836 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.920 1.911 7.194 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.879 -0.119 8.579 1.00 6.84 H new ATOM 738 N ALA A 46 4.396 2.771 9.944 1.00 6.53 N ATOM 739 CA ALA A 46 5.262 3.452 10.859 1.00 7.15 C ATOM 740 C ALA A 46 4.671 4.818 11.380 1.00 9.00 C ATOM 741 O ALA A 46 5.374 5.857 11.362 1.00 11.15 O ATOM 742 CB ALA A 46 6.618 3.693 10.212 1.00 8.99 C ATOM 0 H ALA A 46 4.073 1.869 10.294 1.00 6.53 H new ATOM 0 HA ALA A 46 5.367 2.802 11.728 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.270 4.211 10.915 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.066 2.737 9.939 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.491 4.303 9.318 1.00 8.99 H new ATOM 748 N GLY A 47 3.377 4.844 11.746 1.00 9.35 N ATOM 749 CA GLY A 47 2.748 6.046 12.276 1.00 11.68 C ATOM 750 C GLY A 47 2.305 7.012 11.284 1.00 11.14 C ATOM 751 O GLY A 47 1.894 8.138 11.621 1.00 13.93 O ATOM 0 H GLY A 47 2.753 4.039 11.681 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.889 5.750 12.878 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.453 6.538 12.947 1.00 11.68 H new ATOM 755 N LYS A 48 2.357 6.693 10.001 1.00 10.47 N ATOM 756 CA LYS A 48 2.056 7.751 9.024 1.00 8.82 C ATOM 757 C LYS A 48 1.369 7.085 7.862 1.00 7.68 C ATOM 758 O LYS A 48 1.396 5.852 7.695 1.00 6.47 O ATOM 759 CB LYS A 48 3.348 8.527 8.525 1.00 9.74 C ATOM 760 CG LYS A 48 4.468 7.698 7.869 1.00 14.14 C ATOM 761 CD LYS A 48 5.653 8.548 7.432 1.00 16.32 C ATOM 762 CE LYS A 48 6.367 9.138 8.683 1.00 20.04 C ATOM 763 NZ LYS A 48 7.602 9.857 8.251 1.00 23.92 N ATOM 0 H LYS A 48 2.588 5.776 9.619 1.00 10.47 H new ATOM 0 HA LYS A 48 1.426 8.505 9.497 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.029 9.286 7.811 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.775 9.053 9.379 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.811 6.939 8.572 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.065 7.172 7.003 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.352 7.944 6.854 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.314 9.354 6.781 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.700 9.821 9.209 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.622 8.340 9.381 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.082 10.253 9.084 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.239 9.193 7.767 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.346 10.627 7.601 1.00 23.92 H new ATOM 777 N GLN A 49 0.697 7.919 7.023 1.00 8.89 N ATOM 778 CA GLN A 49 0.086 7.482 5.818 1.00 7.18 C ATOM 779 C GLN A 49 1.050 7.640 4.648 1.00 8.23 C ATOM 780 O GLN A 49 1.897 8.561 4.574 1.00 9.70 O ATOM 781 CB GLN A 49 -1.205 8.376 5.653 1.00 11.67 C ATOM 782 CG GLN A 49 -2.183 7.746 4.554 1.00 15.82 C ATOM 783 CD GLN A 49 -3.513 8.431 4.675 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.491 7.903 5.221 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.619 9.717 4.272 1.00 20.67 N ATOM 0 H GLN A 49 0.585 8.917 7.201 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.179 6.425 5.843 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.724 8.456 6.608 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.920 9.386 5.359 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.772 7.884 3.554 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.291 6.673 4.709 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.829 10.176 3.820 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.489 10.228 4.420 1.00 20.67 H new ATOM 794 N LEU A 50 0.965 6.728 3.674 1.00 6.51 N ATOM 795 CA LEU A 50 1.837 6.617 2.492 1.00 7.41 C ATOM 796 C LEU A 50 1.178 7.307 1.338 1.00 8.27 C ATOM 797 O LEU A 50 0.021 7.132 1.007 1.00 8.34 O ATOM 798 CB LEU A 50 2.264 5.191 2.209 1.00 7.13 C ATOM 799 CG LEU A 50 2.912 4.356 3.389 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.124 2.901 2.911 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.209 4.906 3.835 1.00 9.11 C ATOM 0 H LEU A 50 0.246 6.005 3.687 1.00 6.51 H new ATOM 0 HA LEU A 50 2.781 7.126 2.687 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.389 4.645 1.856 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.978 5.214 1.386 1.00 7.13 H new ATOM 0 HG LEU A 50 2.229 4.403 4.237 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.570 2.315 3.715 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.164 2.465 2.634 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.788 2.895 2.046 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.605 4.293 4.645 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.911 4.904 3.001 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.069 5.928 4.188 1.00 9.11 H new ATOM 813 N GLU A 51 1.916 8.193 0.739 1.00 9.43 N ATOM 814 CA GLU A 51 1.346 9.116 -0.304 1.00 11.90 C ATOM 815 C GLU A 51 1.548 8.705 -1.730 1.00 11.49 C ATOM 816 O GLU A 51 2.658 8.483 -2.156 1.00 9.88 O ATOM 817 CB GLU A 51 1.898 10.546 -0.148 1.00 16.56 C ATOM 818 CG GLU A 51 1.236 11.577 -1.098 1.00 26.06 C ATOM 819 CD GLU A 51 1.728 12.944 -0.730 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.278 13.503 0.311 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.623 13.468 -1.465 1.00 33.44 O ATOM 0 H GLU A 51 2.910 8.327 0.924 1.00 9.43 H new ATOM 0 HA GLU A 51 0.275 9.066 -0.110 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.755 10.871 0.883 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.972 10.533 -0.332 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.484 11.351 -2.135 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.150 11.529 -1.012 1.00 26.06 H new ATOM 828 N ASP A 52 0.435 8.617 -2.498 1.00 12.71 N ATOM 829 CA ASP A 52 0.304 8.175 -3.860 1.00 16.56 C ATOM 830 C ASP A 52 1.401 8.246 -4.893 1.00 15.83 C ATOM 831 O ASP A 52 1.758 7.288 -5.528 1.00 17.21 O ATOM 832 CB ASP A 52 -1.009 8.782 -4.455 1.00 21.05 C ATOM 833 CG ASP A 52 -2.187 8.715 -3.522 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.226 9.374 -2.441 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.198 8.037 -3.827 1.00 25.82 O ATOM 0 H ASP A 52 -0.471 8.887 -2.116 1.00 12.71 H new ATOM 0 HA ASP A 52 0.335 7.099 -3.689 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.828 9.823 -4.722 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.257 8.255 -5.376 1.00 21.05 H new ATOM 840 N GLY A 53 1.906 9.459 -5.127 1.00 15.00 N ATOM 841 CA GLY A 53 2.941 9.771 -6.133 1.00 11.77 C ATOM 842 C GLY A 53 4.357 9.686 -5.539 1.00 11.10 C ATOM 843 O GLY A 53 5.355 9.716 -6.283 1.00 11.25 O ATOM 0 H GLY A 53 1.600 10.282 -4.608 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.855 9.078 -6.970 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.773 10.772 -6.530 1.00 11.77 H new ATOM 847 N ARG A 54 4.543 9.464 -4.212 1.00 8.53 N ATOM 848 CA ARG A 54 5.904 9.273 -3.626 1.00 9.05 C ATOM 849 C ARG A 54 6.306 7.800 -3.802 1.00 8.96 C ATOM 850 O ARG A 54 5.456 7.007 -4.107 1.00 11.60 O ATOM 851 CB ARG A 54 6.035 9.624 -2.199 1.00 7.97 C ATOM 852 CG ARG A 54 5.567 11.033 -1.915 1.00 9.62 C ATOM 853 CD ARG A 54 5.849 11.504 -0.490 1.00 12.20 C ATOM 854 NE ARG A 54 5.026 12.712 -0.206 1.00 18.23 N ATOM 855 CZ ARG A 54 5.176 13.364 0.923 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.116 13.002 1.845 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.405 14.382 1.149 1.00 23.38 N ATOM 0 H ARG A 54 3.783 9.413 -3.533 1.00 8.53 H new ATOM 0 HA ARG A 54 6.556 9.963 -4.162 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.456 8.922 -1.599 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.076 9.520 -1.895 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.051 11.714 -2.615 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.495 11.094 -2.102 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.614 10.712 0.221 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.908 11.734 -0.372 1.00 12.20 H new ATOM 0 HE ARG A 54 4.343 13.034 -0.892 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.726 12.205 1.665 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.208 13.529 2.713 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.706 14.656 0.458 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.497 14.909 2.017 1.00 23.38 H new ATOM 871 N THR A 55 7.542 7.402 -3.581 1.00 9.05 N ATOM 872 CA THR A 55 7.966 6.047 -3.764 1.00 9.03 C ATOM 873 C THR A 55 8.277 5.373 -2.435 1.00 8.15 C ATOM 874 O THR A 55 8.338 6.002 -1.410 1.00 5.91 O ATOM 875 CB THR A 55 9.192 5.820 -4.708 1.00 11.15 C ATOM 876 OG1 THR A 55 10.355 6.319 -4.116 1.00 11.95 O ATOM 877 CG2 THR A 55 8.937 6.587 -6.034 1.00 11.71 C ATOM 0 H THR A 55 8.284 8.027 -3.265 1.00 9.05 H new ATOM 0 HA THR A 55 7.104 5.600 -4.259 1.00 9.03 H new ATOM 0 HB THR A 55 9.316 4.753 -4.894 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.159 7.175 -3.680 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.782 6.441 -6.707 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.029 6.209 -6.504 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.821 7.650 -5.823 1.00 11.71 H new ATOM 885 N LEU A 56 8.385 4.056 -2.449 1.00 6.91 N ATOM 886 CA LEU A 56 8.716 3.224 -1.284 1.00 8.29 C ATOM 887 C LEU A 56 10.046 3.558 -0.619 1.00 8.05 C ATOM 888 O LEU A 56 10.178 3.621 0.623 1.00 10.17 O ATOM 889 CB LEU A 56 8.612 1.723 -1.658 1.00 6.60 C ATOM 890 CG LEU A 56 7.172 1.229 -1.949 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.192 -0.194 -2.539 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.129 1.288 -0.778 1.00 8.64 C ATOM 0 H LEU A 56 8.241 3.508 -3.297 1.00 6.91 H new ATOM 0 HA LEU A 56 7.974 3.458 -0.520 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.230 1.537 -2.536 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.028 1.130 -0.844 1.00 6.60 H new ATOM 0 HG LEU A 56 6.811 1.967 -2.666 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.171 -0.521 -2.736 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.759 -0.194 -3.470 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.661 -0.876 -1.829 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.168 0.911 -1.128 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.479 0.674 0.052 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.015 2.319 -0.444 1.00 8.64 H new ATOM 904 N SER A 57 11.099 3.807 -1.448 1.00 8.92 N ATOM 905 CA SER A 57 12.368 4.338 -0.943 1.00 9.00 C ATOM 906 C SER A 57 12.317 5.703 -0.233 1.00 9.44 C ATOM 907 O SER A 57 13.058 6.015 0.688 1.00 10.91 O ATOM 908 CB SER A 57 13.421 4.476 -2.059 1.00 10.32 C ATOM 909 OG SER A 57 13.812 3.166 -2.478 1.00 13.59 O ATOM 0 H SER A 57 11.081 3.646 -2.455 1.00 8.92 H new ATOM 0 HA SER A 57 12.632 3.586 -0.199 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.011 5.036 -2.900 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.286 5.032 -1.697 1.00 10.32 H new ATOM 0 HG SER A 57 13.086 2.757 -2.994 1.00 13.59 H new ATOM 915 N ASP A 58 11.365 6.579 -0.581 1.00 9.11 N ATOM 916 CA ASP A 58 11.278 7.887 0.078 1.00 7.91 C ATOM 917 C ASP A 58 10.765 7.770 1.480 1.00 9.12 C ATOM 918 O ASP A 58 11.033 8.662 2.300 1.00 8.61 O ATOM 919 CB ASP A 58 10.147 8.725 -0.658 1.00 8.41 C ATOM 920 CG ASP A 58 10.690 9.061 -2.045 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.707 9.761 -2.124 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.016 8.797 -3.097 1.00 11.70 O ATOM 0 H ASP A 58 10.660 6.411 -1.298 1.00 9.11 H new ATOM 0 HA ASP A 58 12.274 8.329 0.054 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.224 8.150 -0.732 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.913 9.633 -0.102 1.00 8.41 H new ATOM 927 N TYR A 59 10.062 6.661 1.801 1.00 7.97 N ATOM 928 CA TYR A 59 9.711 6.246 3.184 1.00 8.45 C ATOM 929 C TYR A 59 10.626 5.121 3.676 1.00 10.98 C ATOM 930 O TYR A 59 10.296 4.468 4.650 1.00 12.95 O ATOM 931 CB TYR A 59 8.293 5.693 3.114 1.00 7.94 C ATOM 932 CG TYR A 59 7.348 6.723 2.673 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.859 7.687 3.618 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.730 6.637 1.382 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.820 8.569 3.320 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.698 7.628 1.063 1.00 6.52 C ATOM 937 CZ TYR A 59 5.311 8.539 2.048 1.00 6.76 C ATOM 938 OH TYR A 59 4.216 9.331 1.723 1.00 7.63 O ATOM 0 H TYR A 59 9.714 6.014 1.094 1.00 7.97 H new ATOM 0 HA TYR A 59 9.811 7.093 3.862 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.262 4.848 2.426 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.996 5.318 4.094 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.313 7.731 4.597 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.013 5.873 0.673 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.432 9.249 4.063 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.245 7.653 0.083 1.00 6.52 H new ATOM 0 HH TYR A 59 4.380 10.252 2.016 1.00 7.63 H new ATOM 948 N ASN A 60 11.767 4.778 3.014 1.00 12.38 N ATOM 949 CA ASN A 60 12.740 3.862 3.594 1.00 13.94 C ATOM 950 C ASN A 60 12.343 2.449 3.822 1.00 14.16 C ATOM 951 O ASN A 60 12.872 1.701 4.615 1.00 14.26 O ATOM 952 CB ASN A 60 13.468 4.422 4.858 1.00 19.23 C ATOM 953 CG ASN A 60 13.870 5.869 4.771 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.372 6.738 5.516 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.716 6.169 3.820 1.00 24.09 N ATOM 0 H ASN A 60 12.016 5.128 2.089 1.00 12.38 H new ATOM 0 HA ASN A 60 13.436 3.809 2.757 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.816 4.293 5.722 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.360 3.823 5.040 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.989 7.140 3.668 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.103 5.432 3.230 1.00 24.09 H new ATOM 962 N ILE A 61 11.365 1.987 2.964 1.00 11.08 N ATOM 963 CA ILE A 61 10.745 0.658 3.179 1.00 11.78 C ATOM 964 C ILE A 61 11.640 -0.482 2.651 1.00 13.74 C ATOM 965 O ILE A 61 12.184 -0.467 1.550 1.00 14.60 O ATOM 966 CB ILE A 61 9.295 0.643 2.528 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.556 1.961 3.014 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.482 -0.634 2.925 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.165 2.173 2.426 1.00 11.42 C ATOM 0 H ILE A 61 11.013 2.501 2.157 1.00 11.08 H new ATOM 0 HA ILE A 61 10.642 0.481 4.250 1.00 11.78 H new ATOM 0 HB ILE A 61 9.377 0.616 1.441 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.475 1.934 4.101 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.176 2.821 2.762 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.498 -0.599 2.457 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.014 -1.523 2.587 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.367 -0.670 4.008 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.742 3.098 2.817 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.235 2.237 1.340 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.523 1.336 2.700 1.00 11.42 H new ATOM 981 N GLN A 62 11.740 -1.508 3.480 1.00 13.97 N ATOM 982 CA GLN A 62 12.677 -2.537 3.205 1.00 15.52 C ATOM 983 C GLN A 62 12.003 -3.827 2.762 1.00 13.94 C ATOM 984 O GLN A 62 10.768 -3.949 2.718 1.00 12.15 O ATOM 985 CB GLN A 62 13.549 -2.898 4.512 1.00 19.53 C ATOM 986 CG GLN A 62 14.266 -1.676 5.165 1.00 26.38 C ATOM 987 CD GLN A 62 15.360 -1.045 4.331 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.311 -1.621 3.785 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.266 0.291 4.122 1.00 32.71 N ATOM 0 H GLN A 62 11.187 -1.633 4.328 1.00 13.97 H new ATOM 0 HA GLN A 62 13.308 -2.149 2.405 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.897 -3.360 5.253 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.299 -3.641 4.240 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.519 -0.915 5.390 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.694 -1.993 6.116 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.504 0.821 4.545 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.957 0.766 3.541 1.00 32.71 H new ATOM 998 N LYS A 63 12.842 -4.760 2.435 1.00 11.73 N ATOM 999 CA LYS A 63 12.486 -6.127 2.111 1.00 11.97 C ATOM 1000 C LYS A 63 11.809 -6.872 3.290 1.00 10.41 C ATOM 1001 O LYS A 63 12.229 -6.785 4.428 1.00 9.59 O ATOM 1002 CB LYS A 63 13.742 -6.877 1.594 1.00 13.73 C ATOM 1003 CG LYS A 63 14.869 -7.168 2.636 1.00 16.98 C ATOM 1004 CD LYS A 63 15.989 -7.953 1.845 1.00 20.19 C ATOM 1005 CE LYS A 63 17.033 -8.675 2.609 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.725 -7.672 3.473 1.00 25.97 N ATOM 0 H LYS A 63 13.846 -4.591 2.381 1.00 11.73 H new ATOM 0 HA LYS A 63 11.735 -6.102 1.321 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.419 -7.827 1.169 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.174 -6.295 0.780 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.262 -6.242 3.056 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.489 -7.760 3.469 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.491 -8.678 1.201 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.492 -7.240 1.192 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.589 -9.464 3.216 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.742 -9.154 1.933 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.532 -8.122 3.950 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.065 -6.884 2.886 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.060 -7.310 4.186 1.00 25.97 H new ATOM 1020 N GLU A 64 10.712 -7.629 2.972 1.00 10.04 N ATOM 1021 CA GLU A 64 9.883 -8.272 3.825 1.00 10.94 C ATOM 1022 C GLU A 64 9.268 -7.398 4.854 1.00 9.74 C ATOM 1023 O GLU A 64 9.169 -7.737 6.057 1.00 9.42 O ATOM 1024 CB GLU A 64 10.515 -9.582 4.325 1.00 18.31 C ATOM 1025 CG GLU A 64 10.911 -10.517 3.194 1.00 24.16 C ATOM 1026 CD GLU A 64 11.344 -11.896 3.757 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.589 -12.605 4.429 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.504 -12.275 3.505 1.00 32.61 O ATOM 0 H GLU A 64 10.432 -7.765 2.001 1.00 10.04 H new ATOM 0 HA GLU A 64 9.001 -8.580 3.264 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.396 -9.349 4.923 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.810 -10.092 4.982 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.073 -10.644 2.509 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.728 -10.079 2.621 1.00 24.16 H new ATOM 1035 N SER A 65 8.727 -6.222 4.453 1.00 6.85 N ATOM 1036 CA SER A 65 8.143 -5.222 5.331 1.00 6.90 C ATOM 1037 C SER A 65 6.633 -5.463 5.285 1.00 4.72 C ATOM 1038 O SER A 65 6.068 -5.923 4.240 1.00 3.91 O ATOM 1039 CB SER A 65 8.438 -3.774 4.942 1.00 7.28 C ATOM 1040 OG SER A 65 8.027 -2.783 5.924 1.00 10.56 O ATOM 0 H SER A 65 8.692 -5.950 3.471 1.00 6.85 H new ATOM 0 HA SER A 65 8.581 -5.336 6.323 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.509 -3.670 4.768 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.939 -3.557 3.997 1.00 7.28 H new ATOM 0 HG SER A 65 8.517 -1.948 5.771 1.00 10.56 H new ATOM 1046 N THR A 66 5.915 -5.101 6.424 1.00 4.48 N ATOM 1047 CA THR A 66 4.477 -5.256 6.541 1.00 3.80 C ATOM 1048 C THR A 66 3.845 -3.874 6.611 1.00 4.60 C ATOM 1049 O THR A 66 4.163 -3.078 7.498 1.00 5.33 O ATOM 1050 CB THR A 66 4.002 -6.057 7.820 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.471 -7.404 7.893 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.509 -6.160 7.918 1.00 3.40 C ATOM 0 H THR A 66 6.352 -4.702 7.255 1.00 4.48 H new ATOM 0 HA THR A 66 4.166 -5.830 5.668 1.00 3.80 H new ATOM 0 HB THR A 66 4.431 -5.466 8.629 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.134 -7.824 8.712 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.241 -6.719 8.814 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.078 -5.160 7.972 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.121 -6.675 7.039 1.00 3.40 H new ATOM 1060 N LEU A 67 2.934 -3.550 5.682 1.00 4.17 N ATOM 1061 CA LEU A 67 2.295 -2.225 5.536 1.00 3.85 C ATOM 1062 C LEU A 67 0.824 -2.422 5.678 1.00 3.80 C ATOM 1063 O LEU A 67 0.250 -3.456 5.397 1.00 5.54 O ATOM 1064 CB LEU A 67 2.513 -1.644 4.120 1.00 7.18 C ATOM 1065 CG LEU A 67 3.940 -1.878 3.531 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.072 -1.231 2.223 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.076 -1.366 4.444 1.00 11.66 C ATOM 0 H LEU A 67 2.608 -4.222 4.987 1.00 4.17 H new ATOM 0 HA LEU A 67 2.721 -1.552 6.280 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.779 -2.084 3.445 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.318 -0.572 4.148 1.00 7.18 H new ATOM 0 HG LEU A 67 4.044 -2.959 3.442 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.073 -1.406 1.830 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.335 -1.646 1.536 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.906 -0.159 2.329 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.039 -1.562 3.972 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.961 -0.294 4.602 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.031 -1.881 5.404 1.00 11.66 H new ATOM 1079 N HIS A 68 0.093 -1.394 6.233 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.303 -1.545 6.600 1.00 4.17 C ATOM 1081 C HIS A 68 -2.296 -0.868 5.627 1.00 5.32 C ATOM 1082 O HIS A 68 -1.950 0.086 4.882 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.545 -1.175 8.039 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.138 -2.309 9.001 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.167 -2.476 9.468 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.873 -3.262 9.608 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.157 -3.549 10.298 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.078 -4.061 10.394 1.00 16.30 N ATOM 0 H HIS A 68 0.475 -0.468 6.423 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.518 -2.609 6.500 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.982 -0.274 8.282 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.600 -0.940 8.181 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.940 -3.381 9.492 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.025 -3.937 10.811 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.367 -4.874 10.937 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.534 -1.394 5.507 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.560 -0.899 4.570 1.00 3.97 C ATOM 1098 C LEU A 69 -5.693 -0.493 5.459 1.00 5.07 C ATOM 1099 O LEU A 69 -6.200 -1.279 6.299 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.934 -1.964 3.480 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.172 -1.847 2.567 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.333 -0.568 1.780 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.302 -2.952 1.536 1.00 9.96 C ATOM 0 H LEU A 69 -3.851 -2.185 6.067 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.221 -0.058 3.965 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.071 -2.043 2.819 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.025 -2.917 4.000 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.943 -1.901 3.336 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.243 -0.621 1.182 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.398 0.276 2.467 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.474 -0.435 1.122 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.200 -2.789 0.939 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.428 -2.947 0.885 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.372 -3.915 2.042 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.271 0.708 5.248 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.497 1.179 5.728 1.00 6.26 C ATOM 1117 C VAL A 70 -8.247 1.712 4.577 1.00 9.22 C ATOM 1118 O VAL A 70 -7.645 1.957 3.522 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.270 2.309 6.747 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.728 1.837 8.083 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.382 3.430 6.176 1.00 8.54 C ATOM 0 H VAL A 70 -5.807 1.411 4.673 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.044 0.373 6.218 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.265 2.711 6.940 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.596 2.693 8.745 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.430 1.135 8.533 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.768 1.343 7.932 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.248 4.207 6.929 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.410 3.020 5.901 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.858 3.858 5.294 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.555 1.918 4.733 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.483 2.195 3.677 1.00 16.06 C ATOM 1133 C LEU A 71 -11.170 3.544 3.811 1.00 18.09 C ATOM 1134 O LEU A 71 -11.626 3.994 4.852 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.508 1.072 3.551 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.889 -0.338 3.208 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.036 -1.399 3.244 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.116 -0.445 1.920 1.00 19.57 C ATOM 0 H LEU A 71 -10.001 1.891 5.650 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.895 2.247 2.760 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.061 0.995 4.487 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.227 1.338 2.776 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.130 -0.516 3.970 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.629 -2.383 3.009 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.482 -1.419 4.238 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.798 -1.137 2.510 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.744 -1.463 1.802 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.768 -0.198 1.082 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.275 0.248 1.942 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.333 4.277 2.719 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.070 5.501 2.698 1.00 25.83 C ATOM 1152 C ARG A 72 -13.557 5.358 2.909 1.00 27.74 C ATOM 1153 O ARG A 72 -14.198 4.383 2.519 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.813 6.315 1.390 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.455 7.697 1.158 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.779 8.567 0.092 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.201 9.989 0.348 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.958 10.969 -0.567 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.072 10.812 -1.535 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.630 12.096 -0.486 1.00 35.02 N ATOM 0 H ARG A 72 -10.943 4.019 1.812 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.684 6.044 3.561 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.734 6.450 1.309 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.119 5.681 0.558 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.498 7.551 0.876 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.453 8.242 2.102 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.695 8.471 0.148 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.076 8.251 -0.908 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.676 10.223 1.220 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.549 9.940 -1.611 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.911 11.563 -2.206 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.320 12.226 0.253 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.461 12.840 -1.163 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.172 6.319 3.592 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.524 6.241 4.228 1.00 30.76 C ATOM 1176 C LEU A 73 -16.432 7.183 3.439 1.00 32.18 C ATOM 1177 O LEU A 73 -16.022 8.316 3.190 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.421 6.682 5.654 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.665 6.691 6.550 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.460 5.359 6.575 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.381 7.142 8.031 1.00 29.11 C ATOM 0 H LEU A 73 -13.735 7.229 3.736 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.922 5.226 4.216 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.680 6.045 6.137 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.018 7.695 5.651 1.00 30.53 H new ATOM 0 HG LEU A 73 -17.288 7.442 6.065 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.321 5.462 7.235 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.801 5.120 5.568 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.817 4.558 6.940 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.309 7.122 8.602 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.661 6.462 8.486 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.976 8.154 8.032 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.648 6.804 3.038 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.523 7.623 2.153 1.00 35.33 C ATOM 1195 C ARG A 74 -18.889 9.009 2.749 1.00 36.22 C ATOM 1196 O ARG A 74 -18.794 10.040 2.113 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.728 6.764 1.764 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.369 5.636 0.758 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.832 6.180 -0.556 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.535 5.036 -1.417 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.086 5.155 -2.696 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.932 6.311 -3.334 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.695 4.007 -3.296 1.00 41.93 N ATOM 0 H ARG A 74 -18.069 5.916 3.313 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.978 7.896 1.249 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.156 6.319 2.663 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.496 7.402 1.327 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.626 4.977 1.206 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.255 5.032 0.563 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.565 6.835 -1.028 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.935 6.775 -0.386 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.672 4.099 -1.039 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.156 7.187 -2.863 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.590 6.322 -4.295 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.748 3.123 -2.789 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.348 4.025 -4.255 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.294 8.940 4.038 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.665 10.159 4.822 1.00 36.07 C ATOM 1219 C GLY A 75 -18.517 10.937 5.357 1.00 36.16 C ATOM 1220 O GLY A 75 -18.691 12.015 5.947 1.00 36.26 O ATOM 0 H GLY A 75 -19.374 8.067 4.560 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.263 10.813 4.187 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.299 9.857 5.655 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.236 10.408 5.221 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.037 11.021 5.672 1.00 36.19 C ATOM 1226 C GLY A 76 -15.315 11.792 4.576 1.00 36.20 C ATOM 1227 O GLY A 76 -15.769 12.949 4.225 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.230 11.350 4.015 1.00 0.00 O ATOM 0 H GLY A 76 -17.069 9.509 4.770 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.269 11.699 6.493 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.371 10.255 6.069 1.00 36.19 H new TER 1232 GLY A 76