USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 6 LYS NZ :NH3+ -174:sc= 0.517 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 140:sc= 0.478 USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.458) USER MOD Single : A 1 MET N :NH3+ 180:sc= 2.02 (180deg=2.02) USER MOD Single : A 2 GLN : amide:sc= -0.106 K(o=-0.11,f=-3.4!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -127:sc= 1.22 (180deg=-0.326) 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 22 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.00028) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1.88 (180deg=1.29) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0.894 (180deg=0.812) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.088) USER MOD Single : A 41 GLN : amide:sc= 1.5 K(o=1.5,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00163 X(o=-0.0016,f=-0.24) USER MOD Single : A 55 THR OG1 : rot -72:sc= 1.13 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.666 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.363 -7.426 -5.095 1.00 9.67 N ATOM 2 CA MET A 1 11.283 -7.253 -3.607 1.00 10.38 C ATOM 3 C MET A 1 10.021 -7.516 -2.937 1.00 9.62 C ATOM 4 O MET A 1 9.010 -6.884 -3.235 1.00 9.62 O ATOM 5 CB MET A 1 11.692 -5.755 -3.308 1.00 13.77 C ATOM 6 CG MET A 1 11.843 -5.406 -1.832 1.00 16.29 C ATOM 7 SD MET A 1 12.294 -3.697 -1.409 1.00 17.17 S ATOM 8 CE MET A 1 10.669 -3.049 -0.971 1.00 16.11 C ATOM 0 H1 MET A 1 12.325 -7.201 -5.419 1.00 9.67 H new ATOM 0 H2 MET A 1 11.135 -8.410 -5.343 1.00 9.67 H new ATOM 0 H3 MET A 1 10.684 -6.787 -5.556 1.00 9.67 H new ATOM 0 HA MET A 1 11.941 -8.022 -3.203 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.635 -5.545 -3.813 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.942 -5.096 -3.746 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.901 -5.637 -1.335 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.598 -6.067 -1.407 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.693 -1.960 -0.995 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.929 -3.411 -1.684 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.402 -3.384 0.031 1.00 16.11 H new ATOM 20 N GLN A 2 9.942 -8.490 -1.994 1.00 9.27 N ATOM 21 CA GLN A 2 8.773 -8.818 -1.181 1.00 9.07 C ATOM 22 C GLN A 2 8.401 -7.706 -0.184 1.00 8.72 C ATOM 23 O GLN A 2 9.270 -7.107 0.452 1.00 8.22 O ATOM 24 CB GLN A 2 9.052 -10.149 -0.411 1.00 14.46 C ATOM 25 CG GLN A 2 7.921 -10.801 0.363 1.00 17.01 C ATOM 26 CD GLN A 2 8.262 -12.245 0.608 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.896 -12.528 1.631 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.891 -13.147 -0.292 1.00 19.49 N ATOM 0 H GLN A 2 10.739 -9.090 -1.780 1.00 9.27 H new ATOM 0 HA GLN A 2 7.923 -8.928 -1.855 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.419 -10.877 -1.134 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.865 -9.960 0.290 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.767 -10.285 1.311 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.989 -10.724 -0.197 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.369 -12.857 -1.119 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.128 -14.130 -0.157 1.00 19.49 H new ATOM 37 N ILE A 3 7.067 -7.409 -0.122 1.00 5.87 N ATOM 38 CA ILE A 3 6.457 -6.552 0.878 1.00 5.07 C ATOM 39 C ILE A 3 5.215 -7.376 1.273 1.00 4.01 C ATOM 40 O ILE A 3 4.697 -8.242 0.539 1.00 4.61 O ATOM 41 CB ILE A 3 5.972 -5.142 0.543 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.947 -5.186 -0.610 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.116 -4.175 0.381 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.452 -3.768 -0.881 1.00 10.83 C ATOM 0 H ILE A 3 6.393 -7.780 -0.792 1.00 5.87 H new ATOM 0 HA ILE A 3 7.239 -6.327 1.604 1.00 5.07 H new ATOM 0 HB ILE A 3 5.423 -4.730 1.389 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.405 -5.604 -1.507 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.111 -5.834 -0.347 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.725 -3.186 0.144 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.686 -4.127 1.309 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.766 -4.512 -0.427 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.727 -3.785 -1.694 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.981 -3.369 0.017 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.295 -3.135 -1.160 1.00 10.83 H new ATOM 56 N PHE A 4 4.601 -7.039 2.396 1.00 4.55 N ATOM 57 CA PHE A 4 3.405 -7.611 2.932 1.00 4.68 C ATOM 58 C PHE A 4 2.404 -6.557 3.273 1.00 5.30 C ATOM 59 O PHE A 4 2.707 -5.416 3.681 1.00 5.58 O ATOM 60 CB PHE A 4 3.562 -8.386 4.232 1.00 4.83 C ATOM 61 CG PHE A 4 4.527 -9.569 4.191 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.266 -10.798 3.488 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.642 -9.500 5.012 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.126 -11.910 3.589 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.526 -10.601 5.077 1.00 10.61 C ATOM 66 CZ PHE A 4 6.272 -11.814 4.401 1.00 8.90 C ATOM 0 H PHE A 4 4.966 -6.298 2.994 1.00 4.55 H new ATOM 0 HA PHE A 4 3.101 -8.286 2.132 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.897 -7.695 5.006 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.581 -8.752 4.535 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.386 -10.870 2.866 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.834 -8.613 5.597 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.909 -12.822 3.052 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.428 -10.511 5.665 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.944 -12.653 4.505 1.00 8.90 H new ATOM 76 N VAL A 5 1.131 -6.838 3.202 1.00 4.44 N ATOM 77 CA VAL A 5 -0.022 -5.976 3.406 1.00 3.87 C ATOM 78 C VAL A 5 -0.851 -6.623 4.507 1.00 4.93 C ATOM 79 O VAL A 5 -1.235 -7.778 4.327 1.00 6.84 O ATOM 80 CB VAL A 5 -0.827 -5.656 2.123 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.250 -5.070 2.361 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.079 -4.625 1.356 1.00 9.13 C ATOM 0 H VAL A 5 0.833 -7.786 2.973 1.00 4.44 H new ATOM 0 HA VAL A 5 0.311 -4.983 3.707 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.030 -6.575 1.573 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.731 -4.880 1.401 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.846 -5.783 2.931 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -2.171 -4.136 2.918 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.408 -4.334 0.425 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.231 -3.742 1.977 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.043 -5.083 1.133 1.00 9.13 H new ATOM 92 N LYS A 6 -1.179 -5.981 5.655 1.00 6.04 N ATOM 93 CA LYS A 6 -2.083 -6.441 6.681 1.00 6.12 C ATOM 94 C LYS A 6 -3.399 -5.680 6.405 1.00 6.57 C ATOM 95 O LYS A 6 -3.420 -4.447 6.407 1.00 5.76 O ATOM 96 CB LYS A 6 -1.533 -6.110 8.047 1.00 7.45 C ATOM 97 CG LYS A 6 -0.349 -7.007 8.538 1.00 11.12 C ATOM 98 CD LYS A 6 -0.871 -8.416 8.982 1.00 14.54 C ATOM 99 CE LYS A 6 0.236 -9.389 9.393 1.00 18.84 C ATOM 100 NZ LYS A 6 1.011 -10.092 8.315 1.00 20.55 N ATOM 0 H LYS A 6 -0.780 -5.070 5.882 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.229 -7.521 6.665 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.200 -5.072 8.043 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.344 -6.182 8.772 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.384 -7.120 7.739 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.160 -6.523 9.371 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.559 -8.290 9.818 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.441 -8.855 8.163 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.948 -8.839 10.008 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.213 -10.152 10.029 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.651 -10.789 8.746 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.352 -10.578 7.674 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.567 -9.397 7.778 1.00 20.55 H new ATOM 114 N THR A 7 -4.523 -6.322 6.172 1.00 7.41 N ATOM 115 CA THR A 7 -5.828 -5.629 5.960 1.00 7.48 C ATOM 116 C THR A 7 -6.648 -5.546 7.291 1.00 8.75 C ATOM 117 O THR A 7 -6.383 -6.317 8.238 1.00 8.58 O ATOM 118 CB THR A 7 -6.793 -6.088 4.859 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.315 -7.375 5.146 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.946 -6.121 3.519 1.00 9.17 C ATOM 0 H THR A 7 -4.585 -7.339 6.119 1.00 7.41 H new ATOM 0 HA THR A 7 -5.454 -4.674 5.591 1.00 7.48 H new ATOM 0 HB THR A 7 -7.645 -5.413 4.779 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.929 -7.646 4.432 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.582 -6.442 2.694 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.557 -5.125 3.310 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.116 -6.819 3.630 1.00 9.17 H new ATOM 128 N LEU A 8 -7.594 -4.606 7.423 1.00 9.84 N ATOM 129 CA LEU A 8 -8.385 -4.330 8.602 1.00 14.15 C ATOM 130 C LEU A 8 -9.243 -5.487 9.065 1.00 17.37 C ATOM 131 O LEU A 8 -9.458 -5.637 10.302 1.00 17.01 O ATOM 132 CB LEU A 8 -9.157 -3.006 8.377 1.00 16.63 C ATOM 133 CG LEU A 8 -9.748 -2.525 9.694 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.641 -1.945 10.558 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.787 -1.544 9.279 1.00 18.59 C ATOM 0 H LEU A 8 -7.833 -3.984 6.651 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.713 -4.199 9.450 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.487 -2.248 7.970 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.950 -3.157 7.645 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.197 -3.303 10.312 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.060 -1.599 11.503 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.892 -2.712 10.753 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.176 -1.107 10.039 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.276 -1.136 10.164 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.320 -0.735 8.717 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.527 -2.041 8.652 1.00 18.59 H new ATOM 147 N THR A 9 -9.779 -6.321 8.080 1.00 18.33 N ATOM 148 CA THR A 9 -10.564 -7.520 8.290 1.00 19.24 C ATOM 149 C THR A 9 -9.750 -8.774 8.482 1.00 19.48 C ATOM 150 O THR A 9 -10.345 -9.820 8.668 1.00 23.14 O ATOM 151 CB THR A 9 -11.696 -7.831 7.335 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.166 -7.704 5.993 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.594 -6.625 7.399 1.00 19.70 C ATOM 0 H THR A 9 -9.642 -6.125 7.089 1.00 18.33 H new ATOM 0 HA THR A 9 -11.044 -7.219 9.221 1.00 19.24 H new ATOM 0 HB THR A 9 -12.152 -8.796 7.558 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.872 -7.900 5.342 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.444 -6.769 6.732 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.952 -6.492 8.420 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.037 -5.740 7.091 1.00 19.70 H new ATOM 161 N GLY A 10 -8.383 -8.649 8.597 1.00 19.43 N ATOM 162 CA GLY A 10 -7.491 -9.632 9.165 1.00 18.74 C ATOM 163 C GLY A 10 -6.783 -10.482 8.082 1.00 17.62 C ATOM 164 O GLY A 10 -6.139 -11.464 8.461 1.00 19.74 O ATOM 0 H GLY A 10 -7.890 -7.817 8.274 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.741 -9.129 9.776 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.054 -10.289 9.828 1.00 18.74 H new ATOM 168 N LYS A 11 -6.830 -10.115 6.809 1.00 13.56 N ATOM 169 CA LYS A 11 -6.166 -10.776 5.751 1.00 11.91 C ATOM 170 C LYS A 11 -4.702 -10.409 5.633 1.00 10.18 C ATOM 171 O LYS A 11 -4.355 -9.257 5.944 1.00 9.10 O ATOM 172 CB LYS A 11 -6.944 -10.623 4.439 1.00 13.43 C ATOM 173 CG LYS A 11 -6.549 -11.463 3.227 1.00 16.69 C ATOM 174 CD LYS A 11 -7.668 -11.369 2.167 1.00 17.92 C ATOM 175 CE LYS A 11 -7.380 -12.278 0.936 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.436 -12.208 -0.074 1.00 21.93 N ATOM 0 H LYS A 11 -7.365 -9.305 6.496 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.152 -11.839 5.994 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.992 -10.833 4.654 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.883 -9.575 4.144 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.606 -11.106 2.812 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.395 -12.501 3.522 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.619 -11.657 2.616 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.771 -10.335 1.838 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.432 -11.984 0.486 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.269 -13.310 1.269 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.765 -13.168 -0.299 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.231 -11.647 0.293 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.064 -11.759 -0.935 1.00 21.93 H new ATOM 190 N THR A 12 -3.835 -11.351 5.140 1.00 9.63 N ATOM 191 CA THR A 12 -2.478 -10.924 4.724 1.00 9.85 C ATOM 192 C THR A 12 -2.426 -11.070 3.240 1.00 11.66 C ATOM 193 O THR A 12 -2.829 -12.087 2.649 1.00 12.33 O ATOM 194 CB THR A 12 -1.345 -11.636 5.465 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.342 -11.245 6.831 1.00 10.91 O ATOM 196 CG2 THR A 12 0.043 -11.218 4.936 1.00 9.63 C ATOM 0 H THR A 12 -4.041 -12.344 5.030 1.00 9.63 H new ATOM 0 HA THR A 12 -2.307 -9.885 5.004 1.00 9.85 H new ATOM 0 HB THR A 12 -1.515 -12.703 5.323 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.153 -12.025 7.394 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.818 -11.747 5.490 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.119 -11.467 3.878 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.174 -10.144 5.066 1.00 9.63 H new ATOM 204 N ILE A 13 -1.908 -10.038 2.516 1.00 10.42 N ATOM 205 CA ILE A 13 -1.581 -10.151 1.087 1.00 11.84 C ATOM 206 C ILE A 13 -0.062 -10.109 1.054 1.00 10.55 C ATOM 207 O ILE A 13 0.624 -9.289 1.734 1.00 11.92 O ATOM 208 CB ILE A 13 -2.052 -8.980 0.222 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.501 -8.476 0.592 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.918 -9.328 -1.308 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.951 -7.256 -0.235 1.00 16.46 C ATOM 0 H ILE A 13 -1.711 -9.119 2.912 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.063 -11.045 0.691 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.391 -8.141 0.438 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.211 -9.290 0.442 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.530 -8.219 1.651 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.258 -8.482 -1.905 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.875 -9.541 -1.543 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.528 -10.202 -1.537 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.955 -6.961 0.069 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.262 -6.428 -0.066 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.954 -7.515 -1.294 1.00 16.46 H new ATOM 223 N THR A 14 0.490 -10.985 0.238 1.00 9.39 N ATOM 224 CA THR A 14 1.951 -11.049 -0.028 1.00 9.63 C ATOM 225 C THR A 14 2.112 -10.422 -1.408 1.00 11.20 C ATOM 226 O THR A 14 1.447 -10.817 -2.344 1.00 11.63 O ATOM 227 CB THR A 14 2.470 -12.445 -0.119 1.00 10.38 C ATOM 228 OG1 THR A 14 2.180 -13.167 1.055 1.00 16.30 O ATOM 229 CG2 THR A 14 3.980 -12.507 -0.411 1.00 11.66 C ATOM 0 H THR A 14 -0.048 -11.685 -0.272 1.00 9.39 H new ATOM 0 HA THR A 14 2.493 -10.556 0.779 1.00 9.63 H new ATOM 0 HB THR A 14 1.957 -12.904 -0.964 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.528 -14.079 0.972 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.298 -13.548 -0.465 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.187 -12.014 -1.361 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.526 -12.002 0.386 1.00 11.66 H new ATOM 237 N LEU A 15 2.980 -9.429 -1.561 1.00 8.29 N ATOM 238 CA LEU A 15 3.170 -8.794 -2.859 1.00 9.03 C ATOM 239 C LEU A 15 4.583 -8.845 -3.294 1.00 8.59 C ATOM 240 O LEU A 15 5.462 -9.037 -2.437 1.00 7.79 O ATOM 241 CB LEU A 15 2.678 -7.307 -2.792 1.00 11.08 C ATOM 242 CG LEU A 15 1.179 -7.072 -2.455 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.919 -5.571 -2.195 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.258 -7.581 -3.595 1.00 15.27 C ATOM 0 H LEU A 15 3.558 -9.049 -0.811 1.00 8.29 H new ATOM 0 HA LEU A 15 2.582 -9.344 -3.594 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.278 -6.785 -2.047 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.886 -6.838 -3.754 1.00 11.08 H new ATOM 0 HG LEU A 15 0.946 -7.638 -1.553 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.135 -5.420 -1.960 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.530 -5.236 -1.357 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.178 -4.997 -3.085 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.784 -7.402 -3.329 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.493 -7.050 -4.517 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.417 -8.649 -3.741 1.00 15.27 H new ATOM 256 N GLU A 16 4.885 -8.635 -4.571 1.00 11.04 N ATOM 257 CA GLU A 16 6.198 -8.504 -5.095 1.00 11.50 C ATOM 258 C GLU A 16 6.270 -7.184 -5.845 1.00 10.13 C ATOM 259 O GLU A 16 5.474 -6.942 -6.775 1.00 9.83 O ATOM 260 CB GLU A 16 6.401 -9.658 -6.127 1.00 17.22 C ATOM 261 CG GLU A 16 7.810 -9.692 -6.657 1.00 23.33 C ATOM 262 CD GLU A 16 8.901 -10.155 -5.713 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.607 -10.986 -4.799 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.014 -9.543 -5.708 1.00 28.90 O ATOM 0 H GLU A 16 4.166 -8.550 -5.289 1.00 11.04 H new ATOM 0 HA GLU A 16 6.949 -8.541 -4.306 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.167 -10.613 -5.656 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.704 -9.532 -6.955 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.825 -10.341 -7.532 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.065 -8.689 -7.000 1.00 23.33 H new ATOM 271 N VAL A 17 7.162 -6.292 -5.339 1.00 8.99 N ATOM 272 CA VAL A 17 7.199 -4.864 -5.768 1.00 8.85 C ATOM 273 C VAL A 17 8.669 -4.502 -6.043 1.00 8.04 C ATOM 274 O VAL A 17 9.523 -5.330 -5.827 1.00 8.99 O ATOM 275 CB VAL A 17 6.611 -3.954 -4.735 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.123 -4.320 -4.507 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.421 -3.928 -3.372 1.00 10.54 C ATOM 0 H VAL A 17 7.862 -6.533 -4.637 1.00 8.99 H new ATOM 0 HA VAL A 17 6.595 -4.736 -6.666 1.00 8.85 H new ATOM 0 HB VAL A 17 6.681 -2.938 -5.124 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.696 -3.657 -3.755 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.574 -4.209 -5.442 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.051 -5.352 -4.164 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.935 -3.247 -2.673 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.446 -4.930 -2.944 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.440 -3.589 -3.560 1.00 10.54 H new ATOM 287 N GLU A 18 8.927 -3.316 -6.531 1.00 7.29 N ATOM 288 CA GLU A 18 10.229 -2.807 -6.640 1.00 7.08 C ATOM 289 C GLU A 18 10.373 -1.727 -5.622 1.00 6.45 C ATOM 290 O GLU A 18 9.302 -1.175 -5.357 1.00 5.28 O ATOM 291 CB GLU A 18 10.456 -2.268 -8.082 1.00 10.28 C ATOM 292 CG GLU A 18 10.919 -3.294 -9.130 1.00 12.65 C ATOM 293 CD GLU A 18 12.281 -3.935 -8.758 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.352 -3.305 -9.009 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.295 -5.087 -8.192 1.00 14.33 O ATOM 0 H GLU A 18 8.205 -2.678 -6.866 1.00 7.29 H new ATOM 0 HA GLU A 18 10.977 -3.579 -6.459 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.525 -1.820 -8.430 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.196 -1.469 -8.036 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.166 -4.076 -9.228 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.002 -2.807 -10.102 1.00 12.65 H new ATOM 302 N PRO A 19 11.510 -1.260 -5.064 1.00 7.24 N ATOM 303 CA PRO A 19 11.580 -0.028 -4.263 1.00 7.07 C ATOM 304 C PRO A 19 11.308 1.226 -5.115 1.00 6.65 C ATOM 305 O PRO A 19 11.090 2.272 -4.466 1.00 6.37 O ATOM 306 CB PRO A 19 13.029 -0.167 -3.723 1.00 7.61 C ATOM 307 CG PRO A 19 13.805 -0.965 -4.786 1.00 8.16 C ATOM 308 CD PRO A 19 12.770 -1.908 -5.312 1.00 7.49 C ATOM 0 HA PRO A 19 10.835 0.090 -3.476 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.481 0.812 -3.563 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.040 -0.683 -2.763 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.199 -0.318 -5.570 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.654 -1.495 -4.354 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.913 -2.097 -6.376 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.823 -2.873 -4.807 1.00 7.49 H new ATOM 316 N SER A 20 11.330 1.211 -6.503 1.00 6.80 N ATOM 317 CA SER A 20 10.996 2.361 -7.303 1.00 6.28 C ATOM 318 C SER A 20 9.546 2.550 -7.481 1.00 8.45 C ATOM 319 O SER A 20 9.074 3.584 -7.944 1.00 7.26 O ATOM 320 CB SER A 20 11.674 2.205 -8.674 1.00 8.57 C ATOM 321 OG SER A 20 11.351 0.967 -9.353 1.00 11.13 O ATOM 0 H SER A 20 11.583 0.388 -7.050 1.00 6.80 H new ATOM 0 HA SER A 20 11.354 3.247 -6.778 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.384 3.042 -9.309 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.754 2.264 -8.543 1.00 8.57 H new ATOM 0 HG SER A 20 11.814 0.937 -10.216 1.00 11.13 H new ATOM 327 N ASP A 21 8.675 1.566 -7.206 1.00 7.50 N ATOM 328 CA ASP A 21 7.234 1.690 -7.299 1.00 7.70 C ATOM 329 C ASP A 21 6.621 2.753 -6.399 1.00 7.08 C ATOM 330 O ASP A 21 6.897 2.881 -5.213 1.00 8.11 O ATOM 331 CB ASP A 21 6.539 0.360 -6.891 1.00 11.00 C ATOM 332 CG ASP A 21 6.752 -0.781 -7.839 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.112 -0.428 -8.958 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.500 -1.975 -7.533 1.00 18.03 O ATOM 0 H ASP A 21 8.976 0.639 -6.905 1.00 7.50 H new ATOM 0 HA ASP A 21 7.070 1.965 -8.341 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.900 0.066 -5.905 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.468 0.541 -6.798 1.00 11.00 H new ATOM 339 N THR A 22 5.689 3.523 -6.929 1.00 5.37 N ATOM 340 CA THR A 22 4.896 4.478 -6.231 1.00 6.01 C ATOM 341 C THR A 22 3.848 3.753 -5.367 1.00 8.01 C ATOM 342 O THR A 22 3.505 2.582 -5.528 1.00 8.11 O ATOM 343 CB THR A 22 4.212 5.554 -7.115 1.00 8.92 C ATOM 344 OG1 THR A 22 3.496 4.982 -8.196 1.00 10.22 O ATOM 345 CG2 THR A 22 5.310 6.449 -7.718 1.00 9.65 C ATOM 0 H THR A 22 5.463 3.484 -7.923 1.00 5.37 H new ATOM 0 HA THR A 22 5.598 5.035 -5.611 1.00 6.01 H new ATOM 0 HB THR A 22 3.515 6.108 -6.487 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.080 5.694 -8.726 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.852 7.214 -8.345 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.872 6.926 -6.915 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.984 5.841 -8.322 1.00 9.65 H new ATOM 353 N ILE A 23 3.299 4.488 -4.411 1.00 8.32 N ATOM 354 CA ILE A 23 2.224 4.006 -3.690 1.00 9.92 C ATOM 355 C ILE A 23 1.007 3.697 -4.498 1.00 10.01 C ATOM 356 O ILE A 23 0.358 2.688 -4.332 1.00 8.71 O ATOM 357 CB ILE A 23 1.951 4.809 -2.459 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.177 5.108 -1.538 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.910 4.101 -1.593 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.894 4.008 -0.680 1.00 12.30 C ATOM 0 H ILE A 23 3.612 5.422 -4.146 1.00 8.32 H new ATOM 0 HA ILE A 23 2.542 3.023 -3.343 1.00 9.92 H new ATOM 0 HB ILE A 23 1.612 5.767 -2.853 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.942 5.549 -2.177 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.858 5.883 -0.841 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.717 4.693 -0.698 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.015 3.985 -2.158 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.284 3.119 -1.304 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.717 4.459 -0.125 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.181 3.570 0.019 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.283 3.230 -1.337 1.00 12.30 H new ATOM 372 N GLU A 24 0.701 4.550 -5.490 1.00 9.54 N ATOM 373 CA GLU A 24 -0.314 4.302 -6.424 1.00 11.81 C ATOM 374 C GLU A 24 -0.090 3.030 -7.215 1.00 11.14 C ATOM 375 O GLU A 24 -1.062 2.304 -7.363 1.00 10.62 O ATOM 376 CB GLU A 24 -0.595 5.578 -7.338 1.00 19.24 C ATOM 377 CG GLU A 24 -1.936 5.435 -8.134 1.00 27.76 C ATOM 378 CD GLU A 24 -2.143 6.737 -8.856 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.300 7.804 -8.208 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.338 6.662 -10.100 1.00 34.80 O ATOM 0 H GLU A 24 1.184 5.437 -5.634 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.229 4.121 -5.860 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.635 6.471 -6.714 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.230 5.714 -8.037 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.883 4.605 -8.838 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.767 5.228 -7.460 1.00 27.76 H new ATOM 387 N ASN A 25 1.121 2.745 -7.675 1.00 9.43 N ATOM 388 CA ASN A 25 1.524 1.439 -8.286 1.00 10.96 C ATOM 389 C ASN A 25 1.266 0.243 -7.418 1.00 9.68 C ATOM 390 O ASN A 25 0.732 -0.751 -7.950 1.00 9.33 O ATOM 391 CB ASN A 25 3.038 1.415 -8.704 1.00 16.78 C ATOM 392 CG ASN A 25 3.270 0.405 -9.840 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.678 -0.685 -9.470 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.921 0.674 -11.084 1.00 24.70 N ATOM 0 H ASN A 25 1.886 3.419 -7.643 1.00 9.43 H new ATOM 0 HA ASN A 25 0.885 1.366 -9.166 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.348 2.409 -9.025 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.654 1.151 -7.844 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.985 -0.050 -11.800 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.587 1.606 -11.330 1.00 24.70 H new ATOM 401 N VAL A 26 1.615 0.350 -6.095 1.00 6.52 N ATOM 402 CA VAL A 26 1.324 -0.733 -5.143 1.00 5.53 C ATOM 403 C VAL A 26 -0.185 -1.069 -4.992 1.00 4.42 C ATOM 404 O VAL A 26 -0.641 -2.154 -5.032 1.00 3.40 O ATOM 405 CB VAL A 26 1.903 -0.452 -3.738 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.620 -1.533 -2.740 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.364 -0.493 -3.996 1.00 8.12 C ATOM 0 H VAL A 26 2.085 1.159 -5.689 1.00 6.52 H new ATOM 0 HA VAL A 26 1.816 -1.599 -5.586 1.00 5.53 H new ATOM 0 HB VAL A 26 1.487 0.468 -3.326 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.058 -1.264 -1.779 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.542 -1.651 -2.628 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.054 -2.471 -3.087 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.903 -0.306 -3.067 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.638 -1.474 -4.383 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.626 0.272 -4.727 1.00 8.12 H new ATOM 417 N LYS A 27 -0.946 0.033 -4.902 1.00 2.64 N ATOM 418 CA LYS A 27 -2.369 0.101 -4.794 1.00 4.14 C ATOM 419 C LYS A 27 -3.058 -0.516 -6.072 1.00 5.58 C ATOM 420 O LYS A 27 -4.050 -1.295 -6.020 1.00 4.11 O ATOM 421 CB LYS A 27 -2.950 1.423 -4.406 1.00 3.97 C ATOM 422 CG LYS A 27 -2.446 1.807 -2.995 1.00 7.45 C ATOM 423 CD LYS A 27 -3.228 2.912 -2.313 1.00 9.02 C ATOM 424 CE LYS A 27 -3.141 4.310 -2.962 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.984 5.344 -2.333 1.00 15.47 N ATOM 0 H LYS A 27 -0.525 0.962 -4.905 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.605 -0.516 -3.927 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.661 2.186 -5.128 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.039 1.372 -4.415 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.473 0.920 -2.362 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.403 2.114 -3.069 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.277 2.617 -2.275 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.882 2.991 -1.282 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.103 4.643 -2.934 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.420 4.224 -4.012 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.089 6.149 -2.983 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.921 4.946 -2.120 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.537 5.667 -1.451 1.00 15.47 H new ATOM 439 N ALA A 28 -2.457 -0.269 -7.200 1.00 6.61 N ATOM 440 CA ALA A 28 -2.853 -0.822 -8.474 1.00 7.74 C ATOM 441 C ALA A 28 -2.648 -2.388 -8.518 1.00 9.17 C ATOM 442 O ALA A 28 -3.412 -3.166 -9.098 1.00 11.45 O ATOM 443 CB ALA A 28 -2.048 -0.187 -9.609 1.00 7.68 C ATOM 0 H ALA A 28 -1.646 0.346 -7.266 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.913 -0.602 -8.602 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.360 -0.616 -10.561 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.223 0.889 -9.621 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.986 -0.380 -9.455 1.00 7.68 H new ATOM 449 N LYS A 29 -1.555 -2.807 -7.872 1.00 8.96 N ATOM 450 CA LYS A 29 -1.277 -4.246 -7.754 1.00 7.90 C ATOM 451 C LYS A 29 -2.260 -4.836 -6.850 1.00 6.92 C ATOM 452 O LYS A 29 -2.824 -5.894 -7.151 1.00 6.87 O ATOM 453 CB LYS A 29 0.145 -4.434 -7.297 1.00 10.28 C ATOM 454 CG LYS A 29 0.634 -5.812 -7.256 1.00 14.94 C ATOM 455 CD LYS A 29 2.104 -5.851 -7.325 1.00 19.69 C ATOM 456 CE LYS A 29 2.698 -5.630 -8.755 1.00 22.63 C ATOM 457 NZ LYS A 29 4.092 -5.156 -8.620 1.00 24.98 N ATOM 0 H LYS A 29 -0.867 -2.194 -7.435 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.371 -4.757 -8.712 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.795 -3.859 -7.956 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.244 -4.006 -6.300 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.296 -6.295 -6.339 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.212 -6.377 -8.087 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.506 -5.088 -6.658 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.446 -6.815 -6.949 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.668 -6.559 -9.325 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.102 -4.900 -9.303 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.559 -5.182 -9.549 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.094 -4.181 -8.259 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.605 -5.771 -7.957 1.00 24.98 H new ATOM 471 N ILE A 30 -2.537 -4.231 -5.688 1.00 4.57 N ATOM 472 CA ILE A 30 -3.615 -4.718 -4.776 1.00 5.58 C ATOM 473 C ILE A 30 -4.959 -4.759 -5.480 1.00 7.26 C ATOM 474 O ILE A 30 -5.633 -5.763 -5.402 1.00 9.46 O ATOM 475 CB ILE A 30 -3.615 -3.895 -3.477 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.265 -4.005 -2.723 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.713 -4.378 -2.497 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.944 -2.885 -1.728 1.00 2.00 C ATOM 0 H ILE A 30 -2.041 -3.408 -5.346 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.412 -5.751 -4.492 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.797 -2.865 -3.785 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.251 -4.953 -2.185 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.464 -4.045 -3.461 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.683 -3.774 -1.590 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.691 -4.278 -2.968 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.539 -5.423 -2.242 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.975 -3.075 -1.266 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.915 -1.930 -2.252 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.713 -2.852 -0.957 1.00 2.00 H new ATOM 490 N GLN A 31 -5.346 -3.707 -6.251 1.00 7.06 N ATOM 491 CA GLN A 31 -6.583 -3.767 -7.093 1.00 8.67 C ATOM 492 C GLN A 31 -6.552 -4.914 -8.116 1.00 10.90 C ATOM 493 O GLN A 31 -7.525 -5.661 -8.190 1.00 9.63 O ATOM 494 CB GLN A 31 -6.812 -2.500 -7.917 1.00 9.12 C ATOM 495 CG GLN A 31 -8.076 -2.484 -8.784 1.00 10.76 C ATOM 496 CD GLN A 31 -8.338 -1.260 -9.611 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.456 -0.757 -9.456 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.396 -0.713 -10.429 1.00 14.76 N ATOM 0 H GLN A 31 -4.837 -2.825 -6.311 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.378 -3.907 -6.360 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.851 -1.649 -7.236 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.948 -2.350 -8.565 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.032 -3.340 -9.457 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.934 -2.637 -8.129 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.485 -1.161 -10.529 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.602 0.144 -10.942 1.00 14.76 H new ATOM 507 N ASP A 32 -5.455 -5.176 -8.771 1.00 10.93 N ATOM 508 CA ASP A 32 -5.297 -6.406 -9.543 1.00 14.01 C ATOM 509 C ASP A 32 -5.402 -7.728 -8.677 1.00 14.04 C ATOM 510 O ASP A 32 -6.011 -8.661 -9.226 1.00 13.39 O ATOM 511 CB ASP A 32 -3.985 -6.428 -10.472 1.00 18.01 C ATOM 512 CG ASP A 32 -3.993 -7.566 -11.394 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.020 -7.663 -12.144 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.052 -8.344 -11.391 1.00 26.29 O ATOM 0 H ASP A 32 -4.644 -4.558 -8.794 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.158 -6.398 -10.211 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.926 -5.500 -11.040 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.095 -6.475 -9.844 1.00 18.01 H new ATOM 519 N LYS A 33 -4.934 -7.763 -7.452 1.00 14.22 N ATOM 520 CA LYS A 33 -5.059 -8.863 -6.520 1.00 14.00 C ATOM 521 C LYS A 33 -6.489 -9.021 -6.001 1.00 12.37 C ATOM 522 O LYS A 33 -7.055 -10.099 -6.007 1.00 12.17 O ATOM 523 CB LYS A 33 -4.105 -8.688 -5.319 1.00 18.62 C ATOM 524 CG LYS A 33 -3.914 -9.992 -4.409 1.00 24.00 C ATOM 525 CD LYS A 33 -3.266 -11.123 -5.285 1.00 27.61 C ATOM 526 CE LYS A 33 -1.831 -10.951 -5.720 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.453 -12.142 -6.606 1.00 30.06 N ATOM 0 H LYS A 33 -4.423 -6.975 -7.053 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.790 -9.763 -7.073 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.129 -8.378 -5.692 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.479 -7.878 -4.693 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.279 -9.766 -3.553 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.875 -10.322 -4.015 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.336 -12.057 -4.728 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.875 -11.240 -6.182 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.709 -10.016 -6.267 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.174 -10.900 -4.852 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.466 -12.043 -6.918 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.559 -13.024 -6.066 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.077 -12.168 -7.437 1.00 30.06 H new ATOM 541 N GLU A 34 -7.119 -7.969 -5.473 1.00 10.11 N ATOM 542 CA GLU A 34 -8.272 -7.980 -4.537 1.00 10.07 C ATOM 543 C GLU A 34 -9.450 -7.200 -5.007 1.00 9.32 C ATOM 544 O GLU A 34 -10.511 -7.240 -4.364 1.00 11.61 O ATOM 545 CB GLU A 34 -7.853 -7.234 -3.199 1.00 14.77 C ATOM 546 CG GLU A 34 -7.033 -8.093 -2.160 1.00 18.75 C ATOM 547 CD GLU A 34 -7.710 -9.313 -1.629 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.773 -9.165 -0.970 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.278 -10.484 -1.907 1.00 25.19 O ATOM 0 H GLU A 34 -6.826 -7.018 -5.696 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.534 -9.032 -4.428 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.261 -6.358 -3.464 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.757 -6.872 -2.709 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.098 -8.398 -2.630 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.772 -7.453 -1.317 1.00 18.75 H new ATOM 556 N GLY A 35 -9.416 -6.467 -6.143 1.00 7.22 N ATOM 557 CA GLY A 35 -10.564 -5.779 -6.777 1.00 6.29 C ATOM 558 C GLY A 35 -10.760 -4.372 -6.249 1.00 6.93 C ATOM 559 O GLY A 35 -11.787 -3.802 -6.562 1.00 7.41 O ATOM 0 H GLY A 35 -8.550 -6.333 -6.666 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.410 -5.741 -7.855 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.471 -6.358 -6.605 1.00 6.29 H new ATOM 563 N ILE A 36 -9.904 -3.862 -5.376 1.00 5.86 N ATOM 564 CA ILE A 36 -10.136 -2.626 -4.607 1.00 6.07 C ATOM 565 C ILE A 36 -9.637 -1.400 -5.363 1.00 6.36 C ATOM 566 O ILE A 36 -8.420 -1.262 -5.399 1.00 6.18 O ATOM 567 CB ILE A 36 -9.643 -2.695 -3.142 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.075 -4.028 -2.495 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.154 -1.506 -2.351 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.377 -4.158 -1.154 1.00 9.49 C ATOM 0 H ILE A 36 -9.005 -4.298 -5.170 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.217 -2.520 -4.512 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.554 -2.654 -3.135 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.157 -4.053 -2.363 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.813 -4.866 -3.141 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.797 -1.572 -1.323 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.789 -0.584 -2.803 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.244 -1.506 -2.357 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.670 -5.095 -0.681 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.297 -4.149 -1.303 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.662 -3.323 -0.513 1.00 9.49 H new ATOM 582 N PRO A 37 -10.298 -0.425 -5.952 1.00 8.65 N ATOM 583 CA PRO A 37 -9.793 0.800 -6.463 1.00 9.18 C ATOM 584 C PRO A 37 -8.707 1.530 -5.600 1.00 9.85 C ATOM 585 O PRO A 37 -8.802 1.582 -4.382 1.00 8.51 O ATOM 586 CB PRO A 37 -11.053 1.598 -6.866 1.00 11.42 C ATOM 587 CG PRO A 37 -12.045 0.472 -7.216 1.00 9.27 C ATOM 588 CD PRO A 37 -11.777 -0.475 -6.172 1.00 8.33 C ATOM 0 HA PRO A 37 -9.154 0.640 -7.331 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.417 2.224 -6.052 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.866 2.256 -7.715 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.079 0.817 -7.203 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.861 0.055 -8.206 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.318 -0.217 -5.261 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.097 -1.477 -6.460 1.00 8.33 H new ATOM 596 N PRO A 38 -7.611 2.032 -6.115 1.00 8.71 N ATOM 597 CA PRO A 38 -6.578 2.651 -5.418 1.00 9.08 C ATOM 598 C PRO A 38 -6.879 3.811 -4.568 1.00 9.28 C ATOM 599 O PRO A 38 -6.045 4.029 -3.671 1.00 6.50 O ATOM 600 CB PRO A 38 -5.555 3.098 -6.474 1.00 10.31 C ATOM 601 CG PRO A 38 -5.579 1.962 -7.457 1.00 10.81 C ATOM 602 CD PRO A 38 -7.083 1.695 -7.448 1.00 12.00 C ATOM 0 HA PRO A 38 -6.246 1.902 -4.699 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.839 4.042 -6.939 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.564 3.240 -6.043 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.204 2.244 -8.441 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.994 1.103 -7.127 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.578 2.293 -8.213 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.283 0.649 -7.681 1.00 12.00 H new ATOM 610 N ASP A 39 -7.959 4.498 -4.863 1.00 11.20 N ATOM 611 CA ASP A 39 -8.363 5.731 -4.194 1.00 14.96 C ATOM 612 C ASP A 39 -9.346 5.376 -3.054 1.00 13.99 C ATOM 613 O ASP A 39 -9.646 6.252 -2.233 1.00 13.75 O ATOM 614 CB ASP A 39 -9.255 6.615 -5.169 1.00 24.16 C ATOM 615 CG ASP A 39 -8.308 7.364 -6.111 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.493 8.233 -5.628 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.301 7.066 -7.332 1.00 35.55 O ATOM 0 H ASP A 39 -8.606 4.212 -5.597 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.458 6.241 -3.865 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.941 5.986 -5.736 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.864 7.318 -4.600 1.00 24.16 H new ATOM 622 N GLN A 40 -9.739 4.063 -2.966 1.00 11.60 N ATOM 623 CA GLN A 40 -10.501 3.490 -1.871 1.00 10.76 C ATOM 624 C GLN A 40 -9.544 2.955 -0.815 1.00 8.01 C ATOM 625 O GLN A 40 -9.851 2.766 0.357 1.00 8.96 O ATOM 626 CB GLN A 40 -11.498 2.444 -2.326 1.00 11.14 C ATOM 627 CG GLN A 40 -12.519 2.069 -1.254 1.00 14.85 C ATOM 628 CD GLN A 40 -13.521 1.029 -1.799 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.783 0.033 -1.096 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.983 1.168 -3.046 1.00 18.16 N ATOM 0 H GLN A 40 -9.514 3.380 -3.689 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.107 4.281 -1.430 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.025 2.814 -3.205 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.958 1.548 -2.632 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.006 1.665 -0.381 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.054 2.960 -0.926 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.745 1.999 -3.588 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.573 0.443 -3.455 1.00 18.16 H new ATOM 639 N GLN A 41 -8.311 2.816 -1.207 1.00 6.52 N ATOM 640 CA GLN A 41 -7.230 2.204 -0.417 1.00 3.87 C ATOM 641 C GLN A 41 -6.306 3.230 0.191 1.00 4.79 C ATOM 642 O GLN A 41 -5.713 4.050 -0.543 1.00 6.34 O ATOM 643 CB GLN A 41 -6.361 1.335 -1.394 1.00 4.20 C ATOM 644 CG GLN A 41 -6.923 -0.020 -1.866 1.00 3.20 C ATOM 645 CD GLN A 41 -5.768 -0.727 -2.716 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.635 -0.748 -2.277 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.076 -1.219 -3.905 1.00 7.13 N ATOM 0 H GLN A 41 -7.996 3.133 -2.124 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.689 1.628 0.386 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.156 1.936 -2.280 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.404 1.146 -0.908 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.210 -0.637 -1.015 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.818 0.122 -2.472 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.039 -1.182 -4.238 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.350 -1.635 -4.488 1.00 7.13 H new ATOM 656 N ARG A 42 -6.095 3.145 1.503 1.00 5.73 N ATOM 657 CA ARG A 42 -5.127 3.988 2.177 1.00 6.97 C ATOM 658 C ARG A 42 -4.105 3.163 2.933 1.00 7.15 C ATOM 659 O ARG A 42 -4.472 2.342 3.792 1.00 7.33 O ATOM 660 CB ARG A 42 -5.923 4.899 3.137 1.00 13.23 C ATOM 661 CG ARG A 42 -6.718 6.101 2.450 1.00 21.27 C ATOM 662 CD ARG A 42 -7.447 6.915 3.482 1.00 26.14 C ATOM 663 NE ARG A 42 -7.672 8.236 2.792 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.017 9.370 3.428 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.485 9.421 4.696 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.042 10.556 2.709 1.00 36.39 N ATOM 0 H ARG A 42 -6.587 2.496 2.117 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.566 4.579 1.454 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.635 4.283 3.686 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.232 5.316 3.869 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.023 6.737 1.902 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.428 5.706 1.724 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.388 6.447 3.771 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.857 7.032 4.391 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.555 8.272 1.779 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.596 8.561 5.234 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.727 10.319 5.115 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.802 10.557 1.718 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.301 11.427 3.172 1.00 36.39 H new ATOM 680 N LEU A 43 -2.845 3.205 2.510 1.00 4.65 N ATOM 681 CA LEU A 43 -1.758 2.464 3.203 1.00 3.51 C ATOM 682 C LEU A 43 -1.052 3.245 4.318 1.00 5.56 C ATOM 683 O LEU A 43 -0.849 4.447 4.180 1.00 4.19 O ATOM 684 CB LEU A 43 -0.758 1.918 2.134 1.00 3.74 C ATOM 685 CG LEU A 43 -1.287 1.015 1.041 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.405 0.916 -0.202 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.667 -0.369 1.686 1.00 6.41 C ATOM 0 H LEU A 43 -2.537 3.737 1.696 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.223 1.635 3.736 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.285 2.775 1.655 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.026 1.375 2.661 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.185 1.470 0.624 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.870 0.246 -0.926 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.289 1.905 -0.645 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.574 0.526 0.077 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.051 -1.037 0.915 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.782 -0.813 2.142 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.431 -0.218 2.448 1.00 6.41 H new ATOM 699 N ILE A 44 -0.672 2.521 5.397 1.00 4.58 N ATOM 700 CA ILE A 44 -0.127 3.074 6.607 1.00 5.55 C ATOM 701 C ILE A 44 1.131 2.238 6.806 1.00 5.46 C ATOM 702 O ILE A 44 1.183 0.968 6.772 1.00 6.04 O ATOM 703 CB ILE A 44 -1.040 2.868 7.750 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.493 3.410 7.588 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.357 3.482 9.065 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.631 4.868 7.094 1.00 13.90 C ATOM 0 H ILE A 44 -0.749 1.504 5.425 1.00 4.58 H new ATOM 0 HA ILE A 44 0.045 4.149 6.544 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.179 1.789 7.822 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.024 2.761 6.891 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.998 3.326 8.550 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.018 3.338 9.919 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.591 2.978 9.252 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.179 4.547 8.919 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.687 5.129 7.021 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.139 5.539 7.798 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.165 4.966 6.114 1.00 13.90 H new ATOM 718 N PHE A 45 2.240 2.983 7.083 1.00 6.75 N ATOM 719 CA PHE A 45 3.578 2.461 7.459 1.00 4.70 C ATOM 720 C PHE A 45 4.241 3.537 8.263 1.00 6.34 C ATOM 721 O PHE A 45 4.128 4.716 7.913 1.00 5.45 O ATOM 722 CB PHE A 45 4.415 1.974 6.205 1.00 5.51 C ATOM 723 CG PHE A 45 5.805 1.637 6.619 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.916 0.524 7.376 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.936 2.438 6.431 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.165 -0.013 7.677 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.185 1.987 6.788 1.00 6.64 C ATOM 728 CZ PHE A 45 8.300 0.722 7.401 1.00 6.84 C ATOM 0 H PHE A 45 2.220 4.002 7.048 1.00 6.75 H new ATOM 0 HA PHE A 45 3.495 1.556 8.062 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.939 1.102 5.756 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.433 2.754 5.444 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.025 0.044 7.753 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.827 3.422 6.000 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.245 -0.994 8.122 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.061 2.590 6.602 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.274 0.329 7.654 1.00 6.84 H new ATOM 738 N ALA A 46 4.933 3.102 9.355 1.00 6.53 N ATOM 739 CA ALA A 46 5.455 4.046 10.378 1.00 7.15 C ATOM 740 C ALA A 46 4.398 4.975 10.916 1.00 9.00 C ATOM 741 O ALA A 46 4.672 6.144 11.275 1.00 11.15 O ATOM 742 CB ALA A 46 6.716 4.800 9.796 1.00 8.99 C ATOM 0 H ALA A 46 5.138 2.121 9.545 1.00 6.53 H new ATOM 0 HA ALA A 46 5.773 3.474 11.250 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.102 5.493 10.543 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.488 4.074 9.541 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.429 5.353 8.902 1.00 8.99 H new ATOM 748 N GLY A 47 3.107 4.522 10.969 1.00 9.35 N ATOM 749 CA GLY A 47 2.024 5.240 11.533 1.00 11.68 C ATOM 750 C GLY A 47 1.459 6.374 10.721 1.00 11.14 C ATOM 751 O GLY A 47 0.578 7.073 11.170 1.00 13.93 O ATOM 0 H GLY A 47 2.831 3.614 10.596 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.218 4.534 11.735 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.347 5.640 12.494 1.00 11.68 H new ATOM 755 N LYS A 48 1.957 6.585 9.518 1.00 10.47 N ATOM 756 CA LYS A 48 1.638 7.781 8.698 1.00 8.82 C ATOM 757 C LYS A 48 1.132 7.247 7.360 1.00 7.68 C ATOM 758 O LYS A 48 1.321 6.088 6.957 1.00 6.47 O ATOM 759 CB LYS A 48 2.866 8.750 8.545 1.00 9.74 C ATOM 760 CG LYS A 48 4.053 8.101 7.929 1.00 14.14 C ATOM 761 CD LYS A 48 5.171 9.148 7.825 1.00 16.32 C ATOM 762 CE LYS A 48 6.402 8.572 7.142 1.00 20.04 C ATOM 763 NZ LYS A 48 7.488 9.629 7.093 1.00 23.92 N ATOM 0 H LYS A 48 2.601 5.938 9.062 1.00 10.47 H new ATOM 0 HA LYS A 48 0.878 8.397 9.180 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.572 9.605 7.937 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.140 9.136 9.527 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.380 7.254 8.533 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.804 7.711 6.942 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.813 10.012 7.266 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.436 9.501 8.822 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.756 7.695 7.684 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.152 8.244 6.133 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.332 9.239 6.627 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.147 10.453 6.558 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.732 9.921 8.061 1.00 23.92 H new ATOM 777 N GLN A 49 0.333 8.126 6.718 1.00 8.89 N ATOM 778 CA GLN A 49 -0.435 7.764 5.549 1.00 7.18 C ATOM 779 C GLN A 49 0.462 8.014 4.321 1.00 8.23 C ATOM 780 O GLN A 49 1.021 9.090 4.102 1.00 9.70 O ATOM 781 CB GLN A 49 -1.777 8.517 5.541 1.00 11.67 C ATOM 782 CG GLN A 49 -2.717 7.967 4.474 1.00 15.82 C ATOM 783 CD GLN A 49 -4.048 8.711 4.413 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.922 8.457 5.274 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.042 9.736 3.561 1.00 20.67 N ATOM 0 H GLN A 49 0.215 9.097 7.008 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.717 6.711 5.541 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.248 8.435 6.521 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.600 9.577 5.361 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.229 8.027 3.501 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.905 6.912 4.672 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.274 9.844 2.899 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.806 10.412 3.571 1.00 20.67 H new ATOM 794 N LEU A 50 0.672 6.962 3.584 1.00 6.51 N ATOM 795 CA LEU A 50 1.642 6.871 2.534 1.00 7.41 C ATOM 796 C LEU A 50 1.065 7.515 1.263 1.00 8.27 C ATOM 797 O LEU A 50 -0.033 7.183 0.861 1.00 8.34 O ATOM 798 CB LEU A 50 2.059 5.428 2.274 1.00 7.13 C ATOM 799 CG LEU A 50 2.559 4.573 3.432 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.074 3.248 2.924 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.678 5.321 4.159 1.00 9.11 C ATOM 0 H LEU A 50 0.142 6.099 3.707 1.00 6.51 H new ATOM 0 HA LEU A 50 2.541 7.407 2.839 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.204 4.915 1.834 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.844 5.446 1.518 1.00 7.13 H new ATOM 0 HG LEU A 50 1.735 4.382 4.120 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.427 2.649 3.763 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.271 2.718 2.412 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.896 3.419 2.229 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.041 4.715 4.989 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.497 5.514 3.466 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.295 6.267 4.541 1.00 9.11 H new ATOM 813 N GLU A 51 1.636 8.574 0.731 1.00 9.43 N ATOM 814 CA GLU A 51 1.156 9.432 -0.272 1.00 11.90 C ATOM 815 C GLU A 51 1.423 8.749 -1.690 1.00 11.49 C ATOM 816 O GLU A 51 2.572 8.445 -2.049 1.00 9.88 O ATOM 817 CB GLU A 51 1.939 10.803 -0.296 1.00 16.56 C ATOM 818 CG GLU A 51 1.492 11.691 -1.457 1.00 26.06 C ATOM 819 CD GLU A 51 1.863 13.148 -1.228 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.332 13.767 -0.253 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.616 13.828 -1.995 1.00 32.13 O ATOM 0 H GLU A 51 2.560 8.868 1.047 1.00 9.43 H new ATOM 0 HA GLU A 51 0.099 9.611 -0.073 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.781 11.329 0.646 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.009 10.609 -0.377 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.951 11.340 -2.381 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.413 11.606 -1.585 1.00 26.06 H new ATOM 828 N ASP A 52 0.283 8.478 -2.415 1.00 12.71 N ATOM 829 CA ASP A 52 0.013 7.880 -3.722 1.00 16.56 C ATOM 830 C ASP A 52 1.163 8.019 -4.740 1.00 15.83 C ATOM 831 O ASP A 52 1.693 7.067 -5.277 1.00 17.21 O ATOM 832 CB ASP A 52 -1.293 8.473 -4.396 1.00 21.05 C ATOM 833 CG ASP A 52 -2.506 8.088 -3.565 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.581 8.473 -2.353 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.472 7.370 -4.087 1.00 25.82 O ATOM 0 H ASP A 52 -0.609 8.732 -1.991 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.116 6.823 -3.490 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.218 9.558 -4.470 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.397 8.091 -5.412 1.00 21.05 H new ATOM 840 N GLY A 53 1.601 9.294 -4.956 1.00 15.00 N ATOM 841 CA GLY A 53 2.635 9.658 -5.959 1.00 11.77 C ATOM 842 C GLY A 53 4.060 9.643 -5.465 1.00 11.10 C ATOM 843 O GLY A 53 4.918 10.173 -6.147 1.00 11.25 O ATOM 0 H GLY A 53 1.243 10.096 -4.436 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.555 8.971 -6.802 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.412 10.655 -6.338 1.00 11.77 H new ATOM 847 N ARG A 54 4.373 9.079 -4.305 1.00 8.53 N ATOM 848 CA ARG A 54 5.742 8.993 -3.819 1.00 9.05 C ATOM 849 C ARG A 54 6.071 7.552 -3.778 1.00 8.96 C ATOM 850 O ARG A 54 5.210 6.709 -3.875 1.00 11.60 O ATOM 851 CB ARG A 54 5.824 9.647 -2.393 1.00 7.97 C ATOM 852 CG ARG A 54 5.405 11.084 -2.263 1.00 9.62 C ATOM 853 CD ARG A 54 5.662 11.723 -0.941 1.00 12.20 C ATOM 854 NE ARG A 54 4.816 12.955 -0.835 1.00 18.23 N ATOM 855 CZ ARG A 54 5.175 13.948 -0.032 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.193 13.820 0.880 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.452 15.037 -0.097 1.00 23.38 N ATOM 0 H ARG A 54 3.684 8.668 -3.675 1.00 8.53 H new ATOM 0 HA ARG A 54 6.449 9.523 -4.457 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.209 9.055 -1.716 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.853 9.564 -2.044 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.920 11.663 -3.030 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.338 11.151 -2.475 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.425 11.030 -0.133 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.717 11.979 -0.843 1.00 12.20 H new ATOM 0 HE ARG A 54 3.959 13.031 -1.383 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.701 12.939 0.957 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.441 14.606 1.481 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.662 15.087 -0.741 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.678 15.836 0.496 1.00 23.38 H new ATOM 871 N THR A 55 7.386 7.167 -3.742 1.00 9.05 N ATOM 872 CA THR A 55 7.894 5.821 -3.900 1.00 9.03 C ATOM 873 C THR A 55 8.156 5.019 -2.609 1.00 8.15 C ATOM 874 O THR A 55 8.152 5.527 -1.490 1.00 5.91 O ATOM 875 CB THR A 55 9.094 5.715 -4.819 1.00 11.15 C ATOM 876 OG1 THR A 55 10.194 6.374 -4.298 1.00 11.95 O ATOM 877 CG2 THR A 55 8.852 6.239 -6.225 1.00 11.71 C ATOM 0 H THR A 55 8.134 7.844 -3.593 1.00 9.05 H new ATOM 0 HA THR A 55 7.037 5.344 -4.376 1.00 9.03 H new ATOM 0 HB THR A 55 9.282 4.644 -4.889 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.055 7.342 -4.360 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.760 6.126 -6.817 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.044 5.674 -6.690 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.578 7.293 -6.178 1.00 11.71 H new ATOM 885 N LEU A 56 8.352 3.714 -2.826 1.00 6.91 N ATOM 886 CA LEU A 56 8.800 2.824 -1.738 1.00 8.29 C ATOM 887 C LEU A 56 10.207 3.137 -1.147 1.00 8.05 C ATOM 888 O LEU A 56 10.414 3.031 0.061 1.00 10.17 O ATOM 889 CB LEU A 56 8.643 1.238 -2.111 1.00 6.60 C ATOM 890 CG LEU A 56 7.304 0.584 -1.644 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.111 1.187 -2.422 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.315 -0.936 -1.765 1.00 8.64 C ATOM 0 H LEU A 56 8.212 3.253 -3.725 1.00 6.91 H new ATOM 0 HA LEU A 56 8.105 3.051 -0.930 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.729 1.123 -3.191 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.473 0.691 -1.665 1.00 6.60 H new ATOM 0 HG LEU A 56 7.192 0.810 -0.584 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.185 0.721 -2.086 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.064 2.261 -2.241 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.242 1.004 -3.489 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.359 -1.335 -1.426 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.477 -1.217 -2.806 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.117 -1.344 -1.150 1.00 8.64 H new ATOM 904 N SER A 57 11.141 3.542 -2.018 1.00 8.92 N ATOM 905 CA SER A 57 12.420 4.293 -1.674 1.00 9.00 C ATOM 906 C SER A 57 12.156 5.505 -0.860 1.00 9.44 C ATOM 907 O SER A 57 12.826 5.700 0.148 1.00 10.91 O ATOM 908 CB SER A 57 13.380 4.498 -2.923 1.00 10.32 C ATOM 909 OG SER A 57 14.714 4.678 -2.494 1.00 13.59 O ATOM 0 H SER A 57 11.053 3.365 -3.019 1.00 8.92 H new ATOM 0 HA SER A 57 13.007 3.651 -1.017 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.317 3.633 -3.584 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.057 5.364 -3.500 1.00 10.32 H new ATOM 0 HG SER A 57 15.295 4.801 -3.274 1.00 13.59 H new ATOM 915 N ASP A 58 11.144 6.352 -1.196 1.00 9.11 N ATOM 916 CA ASP A 58 10.986 7.641 -0.560 1.00 7.91 C ATOM 917 C ASP A 58 10.546 7.534 0.936 1.00 9.12 C ATOM 918 O ASP A 58 10.929 8.366 1.760 1.00 8.61 O ATOM 919 CB ASP A 58 9.840 8.403 -1.214 1.00 8.41 C ATOM 920 CG ASP A 58 10.225 8.986 -2.568 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.238 9.685 -2.579 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.559 8.772 -3.629 1.00 11.70 O ATOM 0 H ASP A 58 10.440 6.144 -1.904 1.00 9.11 H new ATOM 0 HA ASP A 58 11.958 8.125 -0.653 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.988 7.735 -1.339 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.519 9.208 -0.553 1.00 8.41 H new ATOM 927 N TYR A 59 9.854 6.460 1.262 1.00 7.97 N ATOM 928 CA TYR A 59 9.403 6.072 2.564 1.00 8.45 C ATOM 929 C TYR A 59 10.347 5.109 3.309 1.00 10.98 C ATOM 930 O TYR A 59 10.140 4.754 4.473 1.00 12.95 O ATOM 931 CB TYR A 59 7.905 5.588 2.533 1.00 7.94 C ATOM 932 CG TYR A 59 6.902 6.752 2.337 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.745 7.717 3.309 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.081 6.763 1.228 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.731 8.678 3.209 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.121 7.827 1.026 1.00 6.52 C ATOM 937 CZ TYR A 59 4.925 8.779 2.006 1.00 6.76 C ATOM 938 OH TYR A 59 4.001 9.792 1.912 1.00 7.63 O ATOM 0 H TYR A 59 9.574 5.784 0.552 1.00 7.97 H new ATOM 0 HA TYR A 59 9.435 6.976 3.173 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.778 4.865 1.727 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.676 5.070 3.464 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.412 7.732 4.158 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.156 5.967 0.501 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.547 9.350 4.034 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.557 7.876 0.106 1.00 6.52 H new ATOM 0 HH TYR A 59 4.465 10.650 1.818 1.00 7.63 H new ATOM 948 N ASN A 60 11.415 4.746 2.628 1.00 12.38 N ATOM 949 CA ASN A 60 12.431 3.768 3.082 1.00 13.94 C ATOM 950 C ASN A 60 11.942 2.327 3.361 1.00 14.16 C ATOM 951 O ASN A 60 12.341 1.718 4.340 1.00 14.26 O ATOM 952 CB ASN A 60 13.331 4.288 4.158 1.00 19.23 C ATOM 953 CG ASN A 60 13.897 5.724 3.766 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.573 6.734 4.411 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.831 5.740 2.757 1.00 24.09 N ATOM 0 H ASN A 60 11.624 5.128 1.706 1.00 12.38 H new ATOM 0 HA ASN A 60 13.037 3.652 2.184 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.784 4.351 5.099 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.158 3.595 4.315 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.296 6.613 2.506 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.059 4.879 2.259 1.00 24.09 H new ATOM 962 N ILE A 61 11.084 1.781 2.455 1.00 11.08 N ATOM 963 CA ILE A 61 10.432 0.540 2.670 1.00 11.78 C ATOM 964 C ILE A 61 11.318 -0.582 2.109 1.00 13.74 C ATOM 965 O ILE A 61 11.637 -0.568 0.953 1.00 14.60 O ATOM 966 CB ILE A 61 9.029 0.617 2.111 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.255 1.784 2.763 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.246 -0.706 2.412 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.982 2.260 1.917 1.00 11.42 C ATOM 0 H ILE A 61 10.851 2.222 1.565 1.00 11.08 H new ATOM 0 HA ILE A 61 10.302 0.307 3.727 1.00 11.78 H new ATOM 0 HB ILE A 61 9.109 0.770 1.035 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.927 1.481 3.757 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.931 2.629 2.894 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.238 -0.634 2.003 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.764 -1.548 1.953 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.190 -0.858 3.490 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.488 3.082 2.435 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.305 2.594 0.931 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.286 1.428 1.808 1.00 11.42 H new ATOM 981 N GLN A 62 11.672 -1.558 2.937 1.00 13.97 N ATOM 982 CA GLN A 62 12.555 -2.641 2.563 1.00 15.52 C ATOM 983 C GLN A 62 11.938 -4.034 2.445 1.00 13.94 C ATOM 984 O GLN A 62 10.827 -4.236 2.926 1.00 12.15 O ATOM 985 CB GLN A 62 13.644 -2.806 3.699 1.00 19.53 C ATOM 986 CG GLN A 62 14.487 -1.535 4.045 1.00 26.38 C ATOM 987 CD GLN A 62 15.527 -1.908 5.108 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.611 -2.965 5.776 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.436 -0.950 5.327 1.00 32.71 N ATOM 0 H GLN A 62 11.345 -1.614 3.901 1.00 13.97 H new ATOM 0 HA GLN A 62 12.913 -2.348 1.576 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.142 -3.141 4.607 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.329 -3.600 3.402 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.981 -1.154 3.151 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.838 -0.740 4.414 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.395 -0.078 4.800 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.170 -1.092 6.021 1.00 32.71 H new ATOM 998 N LYS A 63 12.707 -5.000 1.856 1.00 11.73 N ATOM 999 CA LYS A 63 12.391 -6.402 1.725 1.00 11.97 C ATOM 1000 C LYS A 63 11.763 -6.988 2.990 1.00 10.41 C ATOM 1001 O LYS A 63 12.347 -6.813 4.078 1.00 9.59 O ATOM 1002 CB LYS A 63 13.669 -7.109 1.304 1.00 13.73 C ATOM 1003 CG LYS A 63 13.337 -8.538 0.841 1.00 16.98 C ATOM 1004 CD LYS A 63 14.469 -9.331 0.257 1.00 20.19 C ATOM 1005 CE LYS A 63 15.787 -9.298 1.041 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.644 -9.999 2.336 1.00 25.97 N ATOM 0 H LYS A 63 13.613 -4.775 1.445 1.00 11.73 H new ATOM 0 HA LYS A 63 11.622 -6.548 0.966 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.153 -6.558 0.498 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.372 -7.139 2.137 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.938 -9.089 1.693 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.542 -8.480 0.098 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.150 -10.369 0.165 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.660 -8.966 -0.752 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.577 -9.766 0.454 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.088 -8.264 1.213 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.547 -9.965 2.851 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.905 -9.535 2.902 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.379 -10.990 2.167 1.00 25.97 H new ATOM 1020 N GLU A 64 10.516 -7.563 2.857 1.00 10.04 N ATOM 1021 CA GLU A 64 9.591 -8.128 3.825 1.00 10.94 C ATOM 1022 C GLU A 64 8.972 -7.174 4.845 1.00 9.74 C ATOM 1023 O GLU A 64 8.323 -7.658 5.811 1.00 9.42 O ATOM 1024 CB GLU A 64 10.347 -9.311 4.495 1.00 18.31 C ATOM 1025 CG GLU A 64 10.809 -10.431 3.620 1.00 24.16 C ATOM 1026 CD GLU A 64 11.524 -11.486 4.367 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.779 -12.253 5.076 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.773 -11.507 4.369 1.00 32.61 O ATOM 0 H GLU A 64 10.112 -7.634 1.923 1.00 10.04 H new ATOM 0 HA GLU A 64 8.697 -8.443 3.286 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.220 -8.904 5.006 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.697 -9.732 5.262 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.948 -10.870 3.115 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.465 -10.034 2.845 1.00 24.16 H new ATOM 1035 N SER A 65 9.077 -5.898 4.572 1.00 6.85 N ATOM 1036 CA SER A 65 8.454 -4.878 5.386 1.00 6.90 C ATOM 1037 C SER A 65 6.947 -4.960 5.218 1.00 4.72 C ATOM 1038 O SER A 65 6.306 -5.332 4.217 1.00 3.91 O ATOM 1039 CB SER A 65 8.963 -3.468 5.132 1.00 7.28 C ATOM 1040 OG SER A 65 8.647 -2.498 6.146 1.00 10.56 O ATOM 0 H SER A 65 9.599 -5.533 3.775 1.00 6.85 H new ATOM 0 HA SER A 65 8.733 -5.085 6.419 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.046 -3.508 5.018 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.555 -3.120 4.183 1.00 7.28 H new ATOM 0 HG SER A 65 9.017 -1.627 5.892 1.00 10.56 H new ATOM 1046 N THR A 66 6.225 -4.555 6.286 1.00 4.48 N ATOM 1047 CA THR A 66 4.771 -4.617 6.268 1.00 3.80 C ATOM 1048 C THR A 66 4.141 -3.266 6.148 1.00 4.60 C ATOM 1049 O THR A 66 4.364 -2.355 6.971 1.00 5.33 O ATOM 1050 CB THR A 66 4.234 -5.389 7.504 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.646 -6.707 7.454 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.683 -5.438 7.579 1.00 3.40 C ATOM 0 H THR A 66 6.628 -4.190 7.149 1.00 4.48 H new ATOM 0 HA THR A 66 4.486 -5.169 5.373 1.00 3.80 H new ATOM 0 HB THR A 66 4.625 -4.851 8.368 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.305 -7.186 8.238 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.379 -5.992 8.467 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.289 -4.423 7.632 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.291 -5.933 6.690 1.00 3.40 H new ATOM 1060 N LEU A 67 3.186 -3.114 5.193 1.00 4.17 N ATOM 1061 CA LEU A 67 2.336 -1.953 5.078 1.00 3.85 C ATOM 1062 C LEU A 67 0.933 -2.295 5.497 1.00 3.80 C ATOM 1063 O LEU A 67 0.351 -3.278 5.044 1.00 5.54 O ATOM 1064 CB LEU A 67 2.306 -1.377 3.635 1.00 7.18 C ATOM 1065 CG LEU A 67 3.670 -1.233 2.937 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.473 -0.730 1.473 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.750 -0.474 3.703 1.00 11.66 C ATOM 0 H LEU A 67 3.001 -3.821 4.481 1.00 4.17 H new ATOM 0 HA LEU A 67 2.755 -1.191 5.735 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.673 -2.018 3.022 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.831 -0.396 3.666 1.00 7.18 H new ATOM 0 HG LEU A 67 4.092 -2.238 2.913 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.444 -0.632 0.988 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.863 -1.445 0.921 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.974 0.239 1.485 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.663 -0.440 3.108 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.409 0.542 3.902 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.951 -0.981 4.647 1.00 11.66 H new ATOM 1079 N HIS A 68 0.282 -1.459 6.398 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.036 -1.747 6.841 1.00 4.17 C ATOM 1081 C HIS A 68 -2.032 -1.163 5.873 1.00 5.32 C ATOM 1082 O HIS A 68 -1.689 -0.109 5.296 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.333 -1.166 8.233 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.944 -2.217 9.288 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.384 -2.353 9.672 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.707 -3.112 10.006 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.372 -3.366 10.573 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.810 -3.867 10.817 1.00 16.30 N ATOM 0 H HIS A 68 0.688 -0.610 6.791 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.119 -2.832 6.896 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.770 -0.246 8.388 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.389 -0.912 8.321 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.781 -3.221 9.963 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.269 -3.730 11.052 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.041 -4.632 11.450 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.149 -1.829 5.602 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.176 -1.325 4.729 1.00 3.97 C ATOM 1098 C LEU A 69 -5.478 -0.955 5.495 1.00 5.07 C ATOM 1099 O LEU A 69 -6.132 -1.813 6.113 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.427 -2.233 3.503 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.509 -1.848 2.467 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.388 -0.463 1.922 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.454 -2.874 1.295 1.00 9.96 C ATOM 0 H LEU A 69 -3.359 -2.747 5.994 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.794 -0.390 4.320 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.482 -2.324 2.967 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.676 -3.225 3.879 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.465 -1.872 2.991 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.188 -0.283 1.204 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.463 0.257 2.737 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.424 -0.350 1.426 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.211 -2.619 0.553 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.468 -2.845 0.832 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.645 -3.876 1.679 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.910 0.322 5.335 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.214 0.798 5.862 1.00 6.26 C ATOM 1117 C VAL A 70 -8.014 1.345 4.619 1.00 9.22 C ATOM 1118 O VAL A 70 -7.416 1.745 3.628 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.073 1.900 6.892 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.788 1.211 8.275 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.979 2.863 6.600 1.00 8.54 C ATOM 0 H VAL A 70 -5.375 1.039 4.846 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.720 -0.024 6.368 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.996 2.480 6.888 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.680 1.974 9.046 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.617 0.552 8.531 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.869 0.629 8.209 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.943 3.621 7.383 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.027 2.333 6.564 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.164 3.343 5.639 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.310 1.119 4.578 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.195 1.557 3.524 1.00 16.06 C ATOM 1133 C LEU A 71 -10.845 2.892 3.979 1.00 18.09 C ATOM 1134 O LEU A 71 -10.872 3.159 5.150 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.175 0.458 3.058 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.435 -0.733 2.362 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.547 -1.651 1.812 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.421 -0.399 1.214 1.00 19.57 C ATOM 0 H LEU A 71 -9.795 0.602 5.312 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.636 1.754 2.609 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.735 0.085 3.915 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.899 0.888 2.366 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.792 -1.179 3.120 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.097 -2.508 1.311 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.172 -1.999 2.635 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.159 -1.095 1.102 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.989 -1.323 0.830 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.941 0.120 0.409 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.627 0.238 1.604 1.00 19.57 H new