USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 474 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 Single : A 1 THR N :NH3+ -141:sc= 0.37 (180deg=0.0123) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 40:sc= -2.08! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -75:sc= 0.107 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.1) USER MOD Single : A 37 LYS NZ :NH3+ -102:sc= -0.883 (180deg=-2.49!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.86 USER MOD Single : A 44 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.331 (180deg=-1.41!) USER MOD Single : A 50 LYS NZ :NH3+ -118:sc= 0.0529 (180deg=-1.05) USER MOD Single : A 51 THR OG1 : rot -75:sc= 1.26 USER MOD Single : A 53 THR OG1 : rot 117:sc= 0.225 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 16.401 14.986 -7.252 1.00 0.00 N ATOM 2 CA THR A 1 15.637 14.771 -8.517 1.00 0.00 C ATOM 3 C THR A 1 14.136 14.891 -8.272 1.00 0.00 C ATOM 4 O THR A 1 13.464 13.900 -7.989 1.00 0.00 O ATOM 5 CB THR A 1 15.983 13.390 -9.062 1.00 0.00 C ATOM 6 OG1 THR A 1 16.344 12.509 -8.016 1.00 0.00 O ATOM 7 CG2 THR A 1 17.125 13.407 -10.059 1.00 0.00 C ATOM 0 H1 THR A 1 17.261 15.535 -7.455 1.00 0.00 H new ATOM 0 H2 THR A 1 15.810 15.507 -6.574 1.00 0.00 H new ATOM 0 H3 THR A 1 16.665 14.066 -6.845 1.00 0.00 H new ATOM 0 HA THR A 1 15.911 15.535 -9.244 1.00 0.00 H new ATOM 0 HB THR A 1 15.080 13.050 -9.570 1.00 0.00 H new ATOM 0 HG1 THR A 1 16.560 11.629 -8.389 1.00 0.00 H new ATOM 0 HG21 THR A 1 17.319 12.392 -10.407 1.00 0.00 H new ATOM 0 HG22 THR A 1 16.858 14.037 -10.908 1.00 0.00 H new ATOM 0 HG23 THR A 1 18.020 13.804 -9.580 1.00 0.00 H new ATOM 17 N THR A 2 13.616 16.110 -8.388 1.00 0.00 N ATOM 18 CA THR A 2 12.195 16.358 -8.184 1.00 0.00 C ATOM 19 C THR A 2 11.781 16.035 -6.754 1.00 0.00 C ATOM 20 O THR A 2 12.026 14.938 -6.254 1.00 0.00 O ATOM 21 CB THR A 2 11.362 15.524 -9.158 1.00 0.00 C ATOM 22 OG1 THR A 2 12.125 15.200 -10.312 1.00 0.00 O ATOM 23 CG2 THR A 2 10.102 16.221 -9.621 1.00 0.00 C ATOM 0 H THR A 2 14.159 16.941 -8.622 1.00 0.00 H new ATOM 0 HA THR A 2 12.014 17.417 -8.369 1.00 0.00 H new ATOM 0 HB THR A 2 11.076 14.629 -8.605 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.579 14.665 -10.925 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.560 15.573 -10.309 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.472 16.444 -8.760 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.365 17.149 -10.128 1.00 0.00 H new ATOM 31 N TYR A 3 11.165 17.008 -6.092 1.00 0.00 N ATOM 32 CA TYR A 3 10.715 16.829 -4.717 1.00 0.00 C ATOM 33 C TYR A 3 9.250 16.408 -4.671 1.00 0.00 C ATOM 34 O TYR A 3 8.421 16.942 -5.404 1.00 0.00 O ATOM 35 CB TYR A 3 10.910 18.123 -3.927 1.00 0.00 C ATOM 36 CG TYR A 3 11.963 18.018 -2.848 1.00 0.00 C ATOM 37 CD1 TYR A 3 11.720 17.298 -1.682 1.00 0.00 C ATOM 38 CD2 TYR A 3 13.196 18.647 -2.979 1.00 0.00 C ATOM 39 CE1 TYR A 3 12.678 17.205 -0.687 1.00 0.00 C ATOM 40 CE2 TYR A 3 14.157 18.550 -1.999 1.00 0.00 C ATOM 41 CZ TYR A 3 13.896 17.830 -0.853 1.00 0.00 C ATOM 42 OH TYR A 3 14.848 17.735 0.133 1.00 0.00 O ATOM 0 H TYR A 3 10.966 17.928 -6.485 1.00 0.00 H new ATOM 0 HA TYR A 3 11.313 16.038 -4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.185 18.922 -4.616 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.962 18.408 -3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.769 16.804 -1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 3 13.404 19.224 -3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.473 16.646 0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 3 15.113 19.036 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 3 15.650 18.229 -0.138 1.00 0.00 H new ATOM 52 N LYS A 4 8.943 15.451 -3.805 1.00 0.00 N ATOM 53 CA LYS A 4 7.580 14.964 -3.665 1.00 0.00 C ATOM 54 C LYS A 4 7.038 15.242 -2.272 1.00 0.00 C ATOM 55 O LYS A 4 7.770 15.677 -1.382 1.00 0.00 O ATOM 56 CB LYS A 4 7.515 13.464 -3.962 1.00 0.00 C ATOM 57 CG LYS A 4 8.525 12.644 -3.172 1.00 0.00 C ATOM 58 CD LYS A 4 7.844 11.565 -2.344 1.00 0.00 C ATOM 59 CE LYS A 4 8.853 10.577 -1.781 1.00 0.00 C ATOM 60 NZ LYS A 4 9.283 9.579 -2.796 1.00 0.00 N ATOM 0 H LYS A 4 9.619 14.998 -3.190 1.00 0.00 H new ATOM 0 HA LYS A 4 6.960 15.497 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.511 13.101 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.683 13.305 -5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.236 12.183 -3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.095 13.302 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.290 12.027 -1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.119 11.035 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.725 11.119 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.416 10.060 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.971 8.925 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.456 9.043 -3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.724 10.070 -3.600 1.00 0.00 H new ATOM 74 N LEU A 5 5.742 15.000 -2.096 1.00 0.00 N ATOM 75 CA LEU A 5 5.092 15.239 -0.817 1.00 0.00 C ATOM 76 C LEU A 5 3.611 14.889 -0.884 1.00 0.00 C ATOM 77 O LEU A 5 2.775 15.741 -1.183 1.00 0.00 O ATOM 78 CB LEU A 5 5.273 16.708 -0.420 1.00 0.00 C ATOM 79 CG LEU A 5 5.924 16.933 0.945 1.00 0.00 C ATOM 80 CD1 LEU A 5 7.128 17.851 0.818 1.00 0.00 C ATOM 81 CD2 LEU A 5 4.916 17.508 1.932 1.00 0.00 C ATOM 0 H LEU A 5 5.125 14.639 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 5 5.553 14.599 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.878 17.202 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.297 17.193 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 5 6.265 15.970 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.578 17.999 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.860 17.400 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.811 18.813 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.399 17.661 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.543 18.461 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.084 16.814 2.048 1.00 0.00 H new ATOM 93 N ILE A 6 3.293 13.628 -0.611 1.00 0.00 N ATOM 94 CA ILE A 6 1.910 13.166 -0.649 1.00 0.00 C ATOM 95 C ILE A 6 1.450 12.693 0.728 1.00 0.00 C ATOM 96 O ILE A 6 1.472 11.497 1.023 1.00 0.00 O ATOM 97 CB ILE A 6 1.726 12.020 -1.662 1.00 0.00 C ATOM 98 CG1 ILE A 6 2.400 12.368 -2.994 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.245 11.732 -1.870 1.00 0.00 C ATOM 100 CD1 ILE A 6 3.406 11.332 -3.449 1.00 0.00 C ATOM 0 H ILE A 6 3.972 12.909 -0.362 1.00 0.00 H new ATOM 0 HA ILE A 6 1.302 14.015 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 6 2.200 11.123 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.634 12.481 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.900 13.332 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.130 10.920 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.206 11.444 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.250 12.626 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.844 11.642 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.192 11.235 -2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.907 10.372 -3.577 1.00 0.00 H new ATOM 112 N LEU A 7 1.027 13.640 1.560 1.00 0.00 N ATOM 113 CA LEU A 7 0.552 13.331 2.903 1.00 0.00 C ATOM 114 C LEU A 7 1.602 12.564 3.701 1.00 0.00 C ATOM 115 O LEU A 7 2.375 13.160 4.456 1.00 0.00 O ATOM 116 CB LEU A 7 -0.745 12.528 2.827 1.00 0.00 C ATOM 117 CG LEU A 7 -2.025 13.362 2.859 1.00 0.00 C ATOM 118 CD1 LEU A 7 -2.415 13.787 1.453 1.00 0.00 C ATOM 119 CD2 LEU A 7 -3.153 12.581 3.516 1.00 0.00 C ATOM 0 H LEU A 7 1.004 14.632 1.325 1.00 0.00 H new ATOM 0 HA LEU A 7 0.362 14.272 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.736 11.939 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.768 11.824 3.658 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.840 14.259 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.329 14.380 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.613 14.384 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.583 12.902 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.057 13.190 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.340 11.667 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.872 12.325 4.538 1.00 0.00 H new ATOM 131 N ASN A 8 1.633 11.247 3.543 1.00 0.00 N ATOM 132 CA ASN A 8 2.591 10.410 4.256 1.00 0.00 C ATOM 133 C ASN A 8 2.634 9.004 3.669 1.00 0.00 C ATOM 134 O ASN A 8 1.654 8.261 3.740 1.00 0.00 O ATOM 135 CB ASN A 8 2.234 10.343 5.741 1.00 0.00 C ATOM 136 CG ASN A 8 3.462 10.358 6.631 1.00 0.00 C ATOM 137 OD1 ASN A 8 4.587 10.235 6.150 1.00 0.00 O ATOM 138 ND2 ASN A 8 3.247 10.506 7.934 1.00 0.00 N ATOM 0 H ASN A 8 1.004 10.734 2.926 1.00 0.00 H new ATOM 0 HA ASN A 8 3.578 10.859 4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.593 11.187 5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.660 9.437 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.034 10.521 8.582 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.295 10.604 8.286 1.00 0.00 H new ATOM 145 N LEU A 9 3.781 8.637 3.109 1.00 0.00 N ATOM 146 CA LEU A 9 3.958 7.310 2.531 1.00 0.00 C ATOM 147 C LEU A 9 4.433 6.353 3.602 1.00 0.00 C ATOM 148 O LEU A 9 3.982 5.214 3.690 1.00 0.00 O ATOM 149 CB LEU A 9 4.959 7.347 1.376 1.00 0.00 C ATOM 150 CG LEU A 9 4.430 7.968 0.084 1.00 0.00 C ATOM 151 CD1 LEU A 9 3.219 7.198 -0.421 1.00 0.00 C ATOM 152 CD2 LEU A 9 4.078 9.431 0.306 1.00 0.00 C ATOM 0 H LEU A 9 4.602 9.239 3.043 1.00 0.00 H new ATOM 0 HA LEU A 9 3.001 6.969 2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.839 7.904 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.286 6.329 1.165 1.00 0.00 H new ATOM 0 HG LEU A 9 5.212 7.911 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.856 7.654 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.501 6.163 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.431 7.224 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.703 9.860 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.311 9.508 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.968 9.975 0.623 1.00 0.00 H new ATOM 164 N LYS A 10 5.344 6.848 4.431 1.00 0.00 N ATOM 165 CA LYS A 10 5.898 6.075 5.532 1.00 0.00 C ATOM 166 C LYS A 10 4.779 5.372 6.291 1.00 0.00 C ATOM 167 O LYS A 10 4.931 4.236 6.743 1.00 0.00 O ATOM 168 CB LYS A 10 6.667 7.012 6.459 1.00 0.00 C ATOM 169 CG LYS A 10 8.131 6.637 6.623 1.00 0.00 C ATOM 170 CD LYS A 10 8.794 7.448 7.726 1.00 0.00 C ATOM 171 CE LYS A 10 9.678 8.552 7.159 1.00 0.00 C ATOM 172 NZ LYS A 10 9.008 9.879 7.208 1.00 0.00 N ATOM 0 H LYS A 10 5.718 7.794 4.358 1.00 0.00 H new ATOM 0 HA LYS A 10 6.577 5.315 5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.602 8.028 6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.189 7.014 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.212 5.574 6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.657 6.801 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.028 7.887 8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.393 6.788 8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.611 8.595 7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.939 8.315 6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.642 10.603 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.131 9.846 6.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.782 10.118 8.195 1.00 0.00 H new ATOM 186 N GLN A 11 3.654 6.063 6.412 1.00 0.00 N ATOM 187 CA GLN A 11 2.486 5.528 7.097 1.00 0.00 C ATOM 188 C GLN A 11 1.831 4.437 6.253 1.00 0.00 C ATOM 189 O GLN A 11 1.366 3.426 6.778 1.00 0.00 O ATOM 190 CB GLN A 11 1.489 6.655 7.373 1.00 0.00 C ATOM 191 CG GLN A 11 0.157 6.177 7.929 1.00 0.00 C ATOM 192 CD GLN A 11 -0.637 7.295 8.577 1.00 0.00 C ATOM 193 OE1 GLN A 11 -0.766 7.349 9.795 1.00 0.00 O ATOM 194 NE2 GLN A 11 -1.177 8.190 7.758 1.00 0.00 N ATOM 0 H GLN A 11 3.526 7.004 6.041 1.00 0.00 H new ATOM 0 HA GLN A 11 2.799 5.090 8.045 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.935 7.357 8.078 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.310 7.203 6.448 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.432 5.737 7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.334 5.390 8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.043 8.105 6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.725 8.962 8.137 1.00 0.00 H new ATOM 203 N ALA A 12 1.808 4.654 4.942 1.00 0.00 N ATOM 204 CA ALA A 12 1.219 3.694 4.016 1.00 0.00 C ATOM 205 C ALA A 12 2.112 2.467 3.866 1.00 0.00 C ATOM 206 O ALA A 12 1.633 1.335 3.846 1.00 0.00 O ATOM 207 CB ALA A 12 0.978 4.346 2.662 1.00 0.00 C ATOM 0 H ALA A 12 2.191 5.488 4.497 1.00 0.00 H new ATOM 0 HA ALA A 12 0.261 3.369 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.538 3.618 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.298 5.189 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.925 4.698 2.254 1.00 0.00 H new ATOM 213 N LYS A 13 3.417 2.704 3.764 1.00 0.00 N ATOM 214 CA LYS A 13 4.379 1.608 3.621 1.00 0.00 C ATOM 215 C LYS A 13 4.552 0.867 4.942 1.00 0.00 C ATOM 216 O LYS A 13 4.486 -0.362 4.988 1.00 0.00 O ATOM 217 CB LYS A 13 5.740 2.121 3.130 1.00 0.00 C ATOM 218 CG LYS A 13 6.719 1.008 2.797 1.00 0.00 C ATOM 219 CD LYS A 13 8.124 1.547 2.591 1.00 0.00 C ATOM 220 CE LYS A 13 9.166 0.446 2.696 1.00 0.00 C ATOM 221 NZ LYS A 13 10.485 0.875 2.155 1.00 0.00 N ATOM 0 H LYS A 13 3.833 3.635 3.777 1.00 0.00 H new ATOM 0 HA LYS A 13 3.982 0.919 2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.589 2.739 2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.177 2.762 3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.724 0.273 3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.391 0.491 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.192 2.021 1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.331 2.317 3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.280 0.153 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.820 -0.434 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.167 0.095 2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.382 1.131 1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.828 1.699 2.689 1.00 0.00 H new ATOM 235 N GLU A 14 4.769 1.618 6.018 1.00 0.00 N ATOM 236 CA GLU A 14 4.947 1.019 7.343 1.00 0.00 C ATOM 237 C GLU A 14 3.742 0.154 7.704 1.00 0.00 C ATOM 238 O GLU A 14 3.891 -0.956 8.215 1.00 0.00 O ATOM 239 CB GLU A 14 5.159 2.087 8.425 1.00 0.00 C ATOM 240 CG GLU A 14 5.368 1.507 9.815 1.00 0.00 C ATOM 241 CD GLU A 14 4.563 2.230 10.877 1.00 0.00 C ATOM 242 OE1 GLU A 14 5.056 3.245 11.405 1.00 0.00 O ATOM 243 OE2 GLU A 14 3.438 1.780 11.179 1.00 0.00 O ATOM 0 H GLU A 14 4.826 2.636 6.002 1.00 0.00 H new ATOM 0 HA GLU A 14 5.841 0.397 7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.024 2.695 8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.295 2.751 8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.091 0.453 9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.427 1.557 10.070 1.00 0.00 H new ATOM 250 N GLU A 15 2.548 0.669 7.425 1.00 0.00 N ATOM 251 CA GLU A 15 1.317 -0.054 7.713 1.00 0.00 C ATOM 252 C GLU A 15 1.197 -1.282 6.818 1.00 0.00 C ATOM 253 O GLU A 15 0.658 -2.312 7.224 1.00 0.00 O ATOM 254 CB GLU A 15 0.104 0.858 7.516 1.00 0.00 C ATOM 255 CG GLU A 15 -0.166 1.773 8.700 1.00 0.00 C ATOM 256 CD GLU A 15 -1.540 1.553 9.305 1.00 0.00 C ATOM 257 OE1 GLU A 15 -1.924 0.380 9.498 1.00 0.00 O ATOM 258 OE2 GLU A 15 -2.233 2.554 9.585 1.00 0.00 O ATOM 0 H GLU A 15 2.409 1.585 6.999 1.00 0.00 H new ATOM 0 HA GLU A 15 1.347 -0.380 8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.258 1.466 6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.777 0.243 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.594 1.607 9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.076 2.811 8.380 1.00 0.00 H new ATOM 265 N ALA A 16 1.707 -1.165 5.594 1.00 0.00 N ATOM 266 CA ALA A 16 1.663 -2.265 4.638 1.00 0.00 C ATOM 267 C ALA A 16 2.369 -3.498 5.196 1.00 0.00 C ATOM 268 O ALA A 16 1.923 -4.628 4.994 1.00 0.00 O ATOM 269 CB ALA A 16 2.291 -1.842 3.318 1.00 0.00 C ATOM 0 H ALA A 16 2.155 -0.319 5.242 1.00 0.00 H new ATOM 0 HA ALA A 16 0.619 -2.524 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.251 -2.673 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.742 -0.993 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.330 -1.556 3.484 1.00 0.00 H new ATOM 275 N ILE A 17 3.470 -3.270 5.909 1.00 0.00 N ATOM 276 CA ILE A 17 4.236 -4.359 6.505 1.00 0.00 C ATOM 277 C ILE A 17 3.498 -4.932 7.709 1.00 0.00 C ATOM 278 O ILE A 17 3.287 -6.140 7.809 1.00 0.00 O ATOM 279 CB ILE A 17 5.641 -3.899 6.961 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.171 -2.760 6.065 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.603 -5.078 6.939 1.00 0.00 C ATOM 282 CD1 ILE A 17 5.961 -3.010 4.588 1.00 0.00 C ATOM 0 H ILE A 17 3.851 -2.341 6.087 1.00 0.00 H new ATOM 0 HA ILE A 17 4.351 -5.121 5.734 1.00 0.00 H new ATOM 0 HB ILE A 17 5.564 -3.517 7.979 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.676 -1.829 6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.236 -2.624 6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.591 -4.748 7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.242 -5.855 7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.666 -5.477 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.357 -2.170 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.479 -3.924 4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.895 -3.117 4.385 1.00 0.00 H new ATOM 294 N LYS A 18 3.106 -4.041 8.610 1.00 0.00 N ATOM 295 CA LYS A 18 2.380 -4.414 9.820 1.00 0.00 C ATOM 296 C LYS A 18 1.148 -5.235 9.475 1.00 0.00 C ATOM 297 O LYS A 18 0.920 -6.296 10.053 1.00 0.00 O ATOM 298 CB LYS A 18 1.972 -3.162 10.599 1.00 0.00 C ATOM 299 CG LYS A 18 1.236 -3.465 11.895 1.00 0.00 C ATOM 300 CD LYS A 18 1.144 -2.237 12.787 1.00 0.00 C ATOM 301 CE LYS A 18 1.671 -2.521 14.184 1.00 0.00 C ATOM 302 NZ LYS A 18 1.354 -1.417 15.132 1.00 0.00 N ATOM 0 H LYS A 18 3.281 -3.040 8.524 1.00 0.00 H new ATOM 0 HA LYS A 18 3.039 -5.021 10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.864 -2.578 10.825 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.337 -2.542 9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.233 -3.827 11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.750 -4.265 12.428 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.712 -1.420 12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.107 -1.908 12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.239 -3.451 14.553 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.751 -2.665 14.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.730 -1.649 16.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.787 -0.534 14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.323 -1.296 15.192 1.00 0.00 H new ATOM 316 N GLU A 19 0.364 -4.749 8.518 1.00 0.00 N ATOM 317 CA GLU A 19 -0.830 -5.466 8.095 1.00 0.00 C ATOM 318 C GLU A 19 -0.437 -6.855 7.630 1.00 0.00 C ATOM 319 O GLU A 19 -1.080 -7.845 7.979 1.00 0.00 O ATOM 320 CB GLU A 19 -1.555 -4.712 6.977 1.00 0.00 C ATOM 321 CG GLU A 19 -2.011 -3.317 7.377 1.00 0.00 C ATOM 322 CD GLU A 19 -3.397 -3.309 7.988 1.00 0.00 C ATOM 323 OE1 GLU A 19 -4.326 -3.859 7.359 1.00 0.00 O ATOM 324 OE2 GLU A 19 -3.556 -2.753 9.095 1.00 0.00 O ATOM 0 H GLU A 19 0.532 -3.871 8.026 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.515 -5.544 8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.893 -4.635 6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.423 -5.292 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.301 -2.898 8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.001 -2.670 6.500 1.00 0.00 H new ATOM 331 N LEU A 20 0.653 -6.926 6.875 1.00 0.00 N ATOM 332 CA LEU A 20 1.157 -8.199 6.410 1.00 0.00 C ATOM 333 C LEU A 20 1.642 -9.006 7.606 1.00 0.00 C ATOM 334 O LEU A 20 1.582 -10.229 7.607 1.00 0.00 O ATOM 335 CB LEU A 20 2.298 -7.971 5.430 1.00 0.00 C ATOM 336 CG LEU A 20 2.134 -8.679 4.091 1.00 0.00 C ATOM 337 CD1 LEU A 20 1.354 -7.788 3.146 1.00 0.00 C ATOM 338 CD2 LEU A 20 3.492 -9.040 3.509 1.00 0.00 C ATOM 0 H LEU A 20 1.198 -6.117 6.576 1.00 0.00 H new ATOM 0 HA LEU A 20 0.365 -8.749 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.397 -6.900 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.228 -8.304 5.891 1.00 0.00 H new ATOM 0 HG LEU A 20 1.581 -9.607 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.235 -8.291 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.372 -7.579 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.893 -6.852 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.355 -9.545 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.077 -8.132 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.018 -9.702 4.197 1.00 0.00 H new ATOM 350 N VAL A 21 2.113 -8.288 8.624 1.00 0.00 N ATOM 351 CA VAL A 21 2.602 -8.914 9.842 1.00 0.00 C ATOM 352 C VAL A 21 1.446 -9.424 10.696 1.00 0.00 C ATOM 353 O VAL A 21 1.564 -10.457 11.359 1.00 0.00 O ATOM 354 CB VAL A 21 3.470 -7.959 10.697 1.00 0.00 C ATOM 355 CG1 VAL A 21 4.095 -8.715 11.857 1.00 0.00 C ATOM 356 CG2 VAL A 21 4.545 -7.301 9.845 1.00 0.00 C ATOM 0 H VAL A 21 2.165 -7.269 8.625 1.00 0.00 H new ATOM 0 HA VAL A 21 3.226 -9.748 9.521 1.00 0.00 H new ATOM 0 HB VAL A 21 2.829 -7.174 11.098 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.703 -8.032 12.451 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.308 -9.137 12.482 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.723 -9.518 11.472 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.143 -6.634 10.466 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.187 -8.068 9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.075 -6.728 9.045 1.00 0.00 H new ATOM 366 N ASP A 22 0.331 -8.692 10.688 1.00 0.00 N ATOM 367 CA ASP A 22 -0.835 -9.076 11.478 1.00 0.00 C ATOM 368 C ASP A 22 -1.790 -9.961 10.678 1.00 0.00 C ATOM 369 O ASP A 22 -2.645 -10.637 11.254 1.00 0.00 O ATOM 370 CB ASP A 22 -1.570 -7.833 11.969 1.00 0.00 C ATOM 371 CG ASP A 22 -2.589 -8.148 13.046 1.00 0.00 C ATOM 372 OD1 ASP A 22 -2.355 -9.087 13.826 1.00 0.00 O ATOM 373 OD2 ASP A 22 -3.623 -7.449 13.107 1.00 0.00 O ATOM 0 H ASP A 22 0.213 -7.836 10.146 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.480 -9.651 12.334 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.846 -7.116 12.357 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.072 -7.355 11.127 1.00 0.00 H new ATOM 378 N ALA A 23 -1.652 -9.954 9.357 1.00 0.00 N ATOM 379 CA ALA A 23 -2.519 -10.752 8.496 1.00 0.00 C ATOM 380 C ALA A 23 -1.750 -11.853 7.784 1.00 0.00 C ATOM 381 O ALA A 23 -2.173 -13.012 7.774 1.00 0.00 O ATOM 382 CB ALA A 23 -3.212 -9.859 7.479 1.00 0.00 C ATOM 0 H ALA A 23 -0.950 -9.406 8.859 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.267 -11.227 9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.856 -10.465 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.814 -9.114 7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.464 -9.357 6.866 1.00 0.00 H new ATOM 388 N GLY A 24 -0.614 -11.504 7.189 1.00 0.00 N ATOM 389 CA GLY A 24 0.184 -12.479 6.475 1.00 0.00 C ATOM 390 C GLY A 24 -0.394 -12.801 5.112 1.00 0.00 C ATOM 391 O GLY A 24 -1.323 -13.603 4.998 1.00 0.00 O ATOM 0 H GLY A 24 -0.232 -10.558 7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.199 -12.100 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.252 -13.393 7.065 1.00 0.00 H new ATOM 395 N THR A 25 0.145 -12.169 4.080 1.00 0.00 N ATOM 396 CA THR A 25 -0.336 -12.381 2.719 1.00 0.00 C ATOM 397 C THR A 25 0.798 -12.275 1.708 1.00 0.00 C ATOM 398 O THR A 25 1.975 -12.267 2.068 1.00 0.00 O ATOM 399 CB THR A 25 -1.425 -11.357 2.390 1.00 0.00 C ATOM 400 OG1 THR A 25 -2.179 -11.772 1.265 1.00 0.00 O ATOM 401 CG2 THR A 25 -0.882 -9.973 2.098 1.00 0.00 C ATOM 0 H THR A 25 0.915 -11.505 4.157 1.00 0.00 H new ATOM 0 HA THR A 25 -0.749 -13.388 2.657 1.00 0.00 H new ATOM 0 HB THR A 25 -2.047 -11.301 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.333 -12.739 1.313 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.708 -9.298 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.339 -9.604 2.968 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.208 -10.020 1.243 1.00 0.00 H new ATOM 409 N ALA A 26 0.423 -12.187 0.441 1.00 0.00 N ATOM 410 CA ALA A 26 1.384 -12.073 -0.642 1.00 0.00 C ATOM 411 C ALA A 26 2.239 -10.823 -0.480 1.00 0.00 C ATOM 412 O ALA A 26 1.897 -9.756 -0.989 1.00 0.00 O ATOM 413 CB ALA A 26 0.650 -12.049 -1.969 1.00 0.00 C ATOM 0 H ALA A 26 -0.551 -12.193 0.137 1.00 0.00 H new ATOM 0 HA ALA A 26 2.049 -12.936 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.371 -11.963 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.079 -12.970 -2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.028 -11.196 -1.994 1.00 0.00 H new ATOM 419 N GLU A 27 3.349 -10.958 0.236 1.00 0.00 N ATOM 420 CA GLU A 27 4.251 -9.838 0.470 1.00 0.00 C ATOM 421 C GLU A 27 4.654 -9.171 -0.846 1.00 0.00 C ATOM 422 O GLU A 27 4.932 -7.973 -0.884 1.00 0.00 O ATOM 423 CB GLU A 27 5.497 -10.302 1.227 1.00 0.00 C ATOM 424 CG GLU A 27 6.188 -11.494 0.586 1.00 0.00 C ATOM 425 CD GLU A 27 7.620 -11.192 0.195 1.00 0.00 C ATOM 426 OE1 GLU A 27 8.481 -11.137 1.101 1.00 0.00 O ATOM 427 OE2 GLU A 27 7.886 -11.021 -1.013 1.00 0.00 O ATOM 0 H GLU A 27 3.646 -11.834 0.665 1.00 0.00 H new ATOM 0 HA GLU A 27 3.721 -9.104 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.203 -9.474 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.217 -10.561 2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.174 -12.335 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.630 -11.801 -0.299 1.00 0.00 H new ATOM 434 N LYS A 28 4.684 -9.959 -1.920 1.00 0.00 N ATOM 435 CA LYS A 28 5.049 -9.454 -3.240 1.00 0.00 C ATOM 436 C LYS A 28 4.358 -8.125 -3.533 1.00 0.00 C ATOM 437 O LYS A 28 4.933 -7.239 -4.168 1.00 0.00 O ATOM 438 CB LYS A 28 4.681 -10.476 -4.320 1.00 0.00 C ATOM 439 CG LYS A 28 5.450 -11.785 -4.209 1.00 0.00 C ATOM 440 CD LYS A 28 4.525 -12.990 -4.313 1.00 0.00 C ATOM 441 CE LYS A 28 4.962 -13.940 -5.418 1.00 0.00 C ATOM 442 NZ LYS A 28 4.077 -15.135 -5.504 1.00 0.00 N ATOM 0 H LYS A 28 4.459 -10.954 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 28 6.127 -9.291 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.613 -10.686 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.866 -10.038 -5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.202 -11.834 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.982 -11.815 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.510 -13.521 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.507 -12.652 -4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.956 -13.414 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.988 -14.260 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.408 -15.758 -6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.102 -15.651 -4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.102 -14.832 -5.702 1.00 0.00 H new ATOM 456 N TYR A 29 3.124 -7.983 -3.060 1.00 0.00 N ATOM 457 CA TYR A 29 2.384 -6.749 -3.279 1.00 0.00 C ATOM 458 C TYR A 29 3.074 -5.596 -2.563 1.00 0.00 C ATOM 459 O TYR A 29 3.166 -4.490 -3.094 1.00 0.00 O ATOM 460 CB TYR A 29 0.940 -6.900 -2.817 1.00 0.00 C ATOM 461 CG TYR A 29 -0.062 -6.740 -3.926 1.00 0.00 C ATOM 462 CD1 TYR A 29 -0.417 -5.490 -4.404 1.00 0.00 C ATOM 463 CD2 TYR A 29 -0.649 -7.855 -4.496 1.00 0.00 C ATOM 464 CE1 TYR A 29 -1.339 -5.358 -5.424 1.00 0.00 C ATOM 465 CE2 TYR A 29 -1.566 -7.736 -5.509 1.00 0.00 C ATOM 466 CZ TYR A 29 -1.910 -6.486 -5.975 1.00 0.00 C ATOM 467 OH TYR A 29 -2.829 -6.363 -6.992 1.00 0.00 O ATOM 0 H TYR A 29 2.623 -8.696 -2.531 1.00 0.00 H new ATOM 0 HA TYR A 29 2.368 -6.530 -4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.813 -7.882 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.735 -6.161 -2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.033 -4.607 -3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.380 -8.837 -4.137 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.611 -4.378 -5.788 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.016 -8.618 -5.939 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.684 -6.055 -6.625 1.00 0.00 H new ATOM 477 N ILE A 30 3.595 -5.871 -1.367 1.00 0.00 N ATOM 478 CA ILE A 30 4.316 -4.858 -0.601 1.00 0.00 C ATOM 479 C ILE A 30 5.500 -4.366 -1.409 1.00 0.00 C ATOM 480 O ILE A 30 5.878 -3.199 -1.344 1.00 0.00 O ATOM 481 CB ILE A 30 4.801 -5.405 0.755 1.00 0.00 C ATOM 482 CG1 ILE A 30 3.704 -6.239 1.428 1.00 0.00 C ATOM 483 CG2 ILE A 30 5.236 -4.262 1.661 1.00 0.00 C ATOM 484 CD1 ILE A 30 2.297 -5.712 1.211 1.00 0.00 C ATOM 0 H ILE A 30 3.531 -6.781 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 30 3.631 -4.035 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 30 5.659 -6.053 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.759 -7.261 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.902 -6.282 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.576 -4.664 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.050 -3.712 1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.394 -3.590 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.583 -6.360 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.221 -4.702 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.075 -5.696 0.144 1.00 0.00 H new ATOM 496 N LYS A 31 6.057 -5.264 -2.210 1.00 0.00 N ATOM 497 CA LYS A 31 7.165 -4.917 -3.078 1.00 0.00 C ATOM 498 C LYS A 31 6.678 -3.899 -4.105 1.00 0.00 C ATOM 499 O LYS A 31 7.427 -3.028 -4.546 1.00 0.00 O ATOM 500 CB LYS A 31 7.717 -6.162 -3.773 1.00 0.00 C ATOM 501 CG LYS A 31 8.888 -5.875 -4.696 1.00 0.00 C ATOM 502 CD LYS A 31 8.437 -5.731 -6.140 1.00 0.00 C ATOM 503 CE LYS A 31 9.355 -4.807 -6.922 1.00 0.00 C ATOM 504 NZ LYS A 31 8.665 -4.220 -8.101 1.00 0.00 N ATOM 0 H LYS A 31 5.757 -6.237 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 31 7.973 -4.485 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.030 -6.882 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.918 -6.631 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.388 -4.961 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.618 -6.681 -4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.416 -6.712 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.419 -5.342 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.708 -4.007 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.234 -5.361 -7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.321 -3.595 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.350 -4.983 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.841 -3.671 -7.783 1.00 0.00 H new ATOM 518 N LEU A 32 5.395 -4.013 -4.458 1.00 0.00 N ATOM 519 CA LEU A 32 4.765 -3.104 -5.407 1.00 0.00 C ATOM 520 C LEU A 32 4.370 -1.801 -4.717 1.00 0.00 C ATOM 521 O LEU A 32 4.438 -0.724 -5.311 1.00 0.00 O ATOM 522 CB LEU A 32 3.521 -3.759 -6.024 1.00 0.00 C ATOM 523 CG LEU A 32 3.378 -3.578 -7.538 1.00 0.00 C ATOM 524 CD1 LEU A 32 2.349 -4.549 -8.095 1.00 0.00 C ATOM 525 CD2 LEU A 32 2.993 -2.143 -7.868 1.00 0.00 C ATOM 0 H LEU A 32 4.771 -4.734 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 32 5.482 -2.882 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.542 -4.826 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.635 -3.350 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 32 4.340 -3.792 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.260 -4.407 -9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.665 -5.572 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.383 -4.366 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.896 -2.032 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.043 -1.902 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.765 -1.466 -7.502 1.00 0.00 H new ATOM 537 N ILE A 33 3.955 -1.906 -3.455 1.00 0.00 N ATOM 538 CA ILE A 33 3.542 -0.737 -2.682 1.00 0.00 C ATOM 539 C ILE A 33 4.747 0.102 -2.265 1.00 0.00 C ATOM 540 O ILE A 33 4.645 1.320 -2.122 1.00 0.00 O ATOM 541 CB ILE A 33 2.710 -1.133 -1.434 1.00 0.00 C ATOM 542 CG1 ILE A 33 3.609 -1.430 -0.230 1.00 0.00 C ATOM 543 CG2 ILE A 33 1.829 -2.332 -1.744 1.00 0.00 C ATOM 544 CD1 ILE A 33 3.789 -0.246 0.696 1.00 0.00 C ATOM 0 H ILE A 33 3.896 -2.789 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 33 2.906 -0.137 -3.333 1.00 0.00 H new ATOM 0 HB ILE A 33 2.076 -0.285 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.185 -2.261 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.587 -1.753 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.251 -2.598 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.150 -2.083 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.453 -3.176 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.437 -0.528 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.242 0.580 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.818 0.064 1.083 1.00 0.00 H new ATOM 556 N ALA A 34 5.889 -0.553 -2.075 1.00 0.00 N ATOM 557 CA ALA A 34 7.109 0.143 -1.682 1.00 0.00 C ATOM 558 C ALA A 34 7.422 1.282 -2.647 1.00 0.00 C ATOM 559 O ALA A 34 8.083 2.255 -2.282 1.00 0.00 O ATOM 560 CB ALA A 34 8.276 -0.832 -1.616 1.00 0.00 C ATOM 0 H ALA A 34 5.994 -1.561 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 34 6.953 0.571 -0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.180 -0.298 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.059 -1.610 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.426 -1.287 -2.595 1.00 0.00 H new ATOM 566 N ASN A 35 6.938 1.156 -3.879 1.00 0.00 N ATOM 567 CA ASN A 35 7.160 2.175 -4.900 1.00 0.00 C ATOM 568 C ASN A 35 5.917 3.047 -5.091 1.00 0.00 C ATOM 569 O ASN A 35 5.933 3.996 -5.874 1.00 0.00 O ATOM 570 CB ASN A 35 7.548 1.519 -6.227 1.00 0.00 C ATOM 571 CG ASN A 35 8.855 2.042 -6.770 1.00 0.00 C ATOM 572 OD1 ASN A 35 9.659 1.288 -7.324 1.00 0.00 O ATOM 573 ND2 ASN A 35 9.089 3.343 -6.623 1.00 0.00 N ATOM 0 H ASN A 35 6.389 0.357 -4.195 1.00 0.00 H new ATOM 0 HA ASN A 35 7.976 2.815 -4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.622 0.440 -6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.759 1.692 -6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.957 3.748 -6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.401 3.936 -6.159 1.00 0.00 H new ATOM 580 N ALA A 36 4.841 2.719 -4.371 1.00 0.00 N ATOM 581 CA ALA A 36 3.589 3.467 -4.461 1.00 0.00 C ATOM 582 C ALA A 36 3.833 4.975 -4.471 1.00 0.00 C ATOM 583 O ALA A 36 4.428 5.523 -3.544 1.00 0.00 O ATOM 584 CB ALA A 36 2.666 3.092 -3.309 1.00 0.00 C ATOM 0 H ALA A 36 4.814 1.937 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 36 3.112 3.201 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.737 3.657 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.447 2.025 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.153 3.326 -2.362 1.00 0.00 H new ATOM 590 N LYS A 37 3.369 5.639 -5.526 1.00 0.00 N ATOM 591 CA LYS A 37 3.534 7.085 -5.651 1.00 0.00 C ATOM 592 C LYS A 37 2.273 7.818 -5.203 1.00 0.00 C ATOM 593 O LYS A 37 1.999 8.933 -5.646 1.00 0.00 O ATOM 594 CB LYS A 37 3.891 7.473 -7.094 1.00 0.00 C ATOM 595 CG LYS A 37 2.741 7.335 -8.083 1.00 0.00 C ATOM 596 CD LYS A 37 2.828 6.031 -8.862 1.00 0.00 C ATOM 597 CE LYS A 37 3.972 6.059 -9.863 1.00 0.00 C ATOM 598 NZ LYS A 37 5.208 5.438 -9.311 1.00 0.00 N ATOM 0 H LYS A 37 2.877 5.201 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 37 4.356 7.384 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.242 8.505 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.721 6.851 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.792 7.377 -7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.754 8.176 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.968 5.201 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.888 5.855 -9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.674 5.532 -10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.180 7.090 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.870 6.184 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.963 4.849 -8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.655 4.846 -10.040 1.00 0.00 H new ATOM 612 N THR A 38 1.510 7.182 -4.321 1.00 0.00 N ATOM 613 CA THR A 38 0.278 7.766 -3.806 1.00 0.00 C ATOM 614 C THR A 38 -0.156 7.056 -2.530 1.00 0.00 C ATOM 615 O THR A 38 -0.165 5.827 -2.462 1.00 0.00 O ATOM 616 CB THR A 38 -0.832 7.680 -4.858 1.00 0.00 C ATOM 617 OG1 THR A 38 -0.285 7.538 -6.156 1.00 0.00 O ATOM 618 CG2 THR A 38 -1.740 8.889 -4.872 1.00 0.00 C ATOM 0 H THR A 38 1.725 6.258 -3.947 1.00 0.00 H new ATOM 0 HA THR A 38 0.465 8.815 -3.576 1.00 0.00 H new ATOM 0 HB THR A 38 -1.422 6.807 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.011 7.483 -6.813 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.503 8.762 -5.640 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.219 8.996 -3.899 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.153 9.782 -5.087 1.00 0.00 H new ATOM 626 N VAL A 39 -0.516 7.837 -1.514 1.00 0.00 N ATOM 627 CA VAL A 39 -0.950 7.278 -0.238 1.00 0.00 C ATOM 628 C VAL A 39 -2.093 6.286 -0.434 1.00 0.00 C ATOM 629 O VAL A 39 -2.115 5.218 0.180 1.00 0.00 O ATOM 630 CB VAL A 39 -1.403 8.380 0.741 1.00 0.00 C ATOM 631 CG1 VAL A 39 -1.544 7.818 2.146 1.00 0.00 C ATOM 632 CG2 VAL A 39 -0.427 9.547 0.723 1.00 0.00 C ATOM 0 H VAL A 39 -0.516 8.856 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.090 6.761 0.187 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.378 8.747 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.864 8.609 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.285 7.019 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.584 7.423 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.764 10.314 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.563 9.198 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.379 9.966 -0.282 1.00 0.00 H new ATOM 642 N GLU A 40 -3.036 6.645 -1.297 1.00 0.00 N ATOM 643 CA GLU A 40 -4.179 5.786 -1.581 1.00 0.00 C ATOM 644 C GLU A 40 -3.735 4.527 -2.320 1.00 0.00 C ATOM 645 O GLU A 40 -4.199 3.425 -2.025 1.00 0.00 O ATOM 646 CB GLU A 40 -5.219 6.543 -2.411 1.00 0.00 C ATOM 647 CG GLU A 40 -6.545 6.737 -1.696 1.00 0.00 C ATOM 648 CD GLU A 40 -6.423 7.615 -0.466 1.00 0.00 C ATOM 649 OE1 GLU A 40 -6.122 8.817 -0.621 1.00 0.00 O ATOM 650 OE2 GLU A 40 -6.631 7.100 0.655 1.00 0.00 O ATOM 0 H GLU A 40 -3.032 7.525 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.630 5.491 -0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.815 7.519 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.393 6.002 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.263 7.182 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.942 5.764 -1.405 1.00 0.00 H new ATOM 657 N GLY A 41 -2.832 4.700 -3.279 1.00 0.00 N ATOM 658 CA GLY A 41 -2.336 3.573 -4.049 1.00 0.00 C ATOM 659 C GLY A 41 -1.720 2.499 -3.174 1.00 0.00 C ATOM 660 O GLY A 41 -1.730 1.317 -3.525 1.00 0.00 O ATOM 0 H GLY A 41 -2.434 5.603 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.155 3.142 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.593 3.925 -4.765 1.00 0.00 H new ATOM 664 N VAL A 42 -1.182 2.910 -2.032 1.00 0.00 N ATOM 665 CA VAL A 42 -0.556 1.972 -1.105 1.00 0.00 C ATOM 666 C VAL A 42 -1.613 1.264 -0.262 1.00 0.00 C ATOM 667 O VAL A 42 -1.566 0.044 -0.088 1.00 0.00 O ATOM 668 CB VAL A 42 0.464 2.669 -0.166 1.00 0.00 C ATOM 669 CG1 VAL A 42 1.657 1.763 0.112 1.00 0.00 C ATOM 670 CG2 VAL A 42 0.938 3.995 -0.748 1.00 0.00 C ATOM 0 H VAL A 42 -1.166 3.883 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.018 1.244 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.047 2.872 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.357 2.275 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.313 0.845 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.155 1.520 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.651 4.457 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.418 3.819 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.084 4.658 -0.884 1.00 0.00 H new ATOM 680 N TRP A 43 -2.570 2.033 0.251 1.00 0.00 N ATOM 681 CA TRP A 43 -3.642 1.472 1.067 1.00 0.00 C ATOM 682 C TRP A 43 -4.417 0.418 0.282 1.00 0.00 C ATOM 683 O TRP A 43 -4.895 -0.568 0.846 1.00 0.00 O ATOM 684 CB TRP A 43 -4.603 2.573 1.528 1.00 0.00 C ATOM 685 CG TRP A 43 -3.972 3.605 2.412 1.00 0.00 C ATOM 686 CD1 TRP A 43 -4.021 4.962 2.259 1.00 0.00 C ATOM 687 CD2 TRP A 43 -3.208 3.362 3.591 1.00 0.00 C ATOM 688 NE1 TRP A 43 -3.330 5.575 3.276 1.00 0.00 N ATOM 689 CE2 TRP A 43 -2.820 4.612 4.106 1.00 0.00 C ATOM 690 CE3 TRP A 43 -2.816 2.207 4.257 1.00 0.00 C ATOM 691 CZ2 TRP A 43 -2.056 4.734 5.264 1.00 0.00 C ATOM 692 CZ3 TRP A 43 -2.057 2.325 5.407 1.00 0.00 C ATOM 693 CH2 TRP A 43 -1.684 3.582 5.901 1.00 0.00 C ATOM 0 H TRP A 43 -2.625 3.043 0.117 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.189 1.006 1.942 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.020 3.067 0.651 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.436 2.114 2.061 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.528 5.477 1.457 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.216 6.582 3.394 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.099 1.234 3.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.768 5.703 5.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.747 1.434 5.933 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.091 3.643 6.802 1.00 0.00 H new ATOM 704 N THR A 44 -4.544 0.636 -1.026 1.00 0.00 N ATOM 705 CA THR A 44 -5.267 -0.286 -1.892 1.00 0.00 C ATOM 706 C THR A 44 -4.459 -1.556 -2.146 1.00 0.00 C ATOM 707 O THR A 44 -4.983 -2.662 -2.046 1.00 0.00 O ATOM 708 CB THR A 44 -5.603 0.391 -3.222 1.00 0.00 C ATOM 709 OG1 THR A 44 -6.138 1.684 -3.006 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.602 -0.388 -4.051 1.00 0.00 C ATOM 0 H THR A 44 -4.154 1.446 -1.508 1.00 0.00 H new ATOM 0 HA THR A 44 -6.191 -0.565 -1.386 1.00 0.00 H new ATOM 0 HB THR A 44 -4.661 0.442 -3.768 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.418 2.298 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.798 0.146 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.197 -1.374 -4.277 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.532 -0.497 -3.493 1.00 0.00 H new ATOM 718 N LEU A 45 -3.183 -1.387 -2.481 1.00 0.00 N ATOM 719 CA LEU A 45 -2.308 -2.528 -2.754 1.00 0.00 C ATOM 720 C LEU A 45 -2.375 -3.567 -1.630 1.00 0.00 C ATOM 721 O LEU A 45 -2.608 -4.752 -1.884 1.00 0.00 O ATOM 722 CB LEU A 45 -0.867 -2.052 -2.969 1.00 0.00 C ATOM 723 CG LEU A 45 -0.656 -1.210 -4.229 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.657 -0.448 -4.151 1.00 0.00 C ATOM 725 CD2 LEU A 45 -0.700 -2.083 -5.473 1.00 0.00 C ATOM 0 H LEU A 45 -2.732 -0.477 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.657 -3.010 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.558 -1.468 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.214 -2.923 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.467 -0.485 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.788 0.144 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.643 0.212 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.482 -1.154 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.548 -1.464 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.086 -2.836 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.670 -2.576 -5.538 1.00 0.00 H new ATOM 736 N LYS A 46 -2.186 -3.126 -0.385 1.00 0.00 N ATOM 737 CA LYS A 46 -2.238 -4.034 0.760 1.00 0.00 C ATOM 738 C LYS A 46 -3.634 -4.640 0.899 1.00 0.00 C ATOM 739 O LYS A 46 -3.790 -5.856 1.047 1.00 0.00 O ATOM 740 CB LYS A 46 -1.854 -3.298 2.047 1.00 0.00 C ATOM 741 CG LYS A 46 -2.782 -2.146 2.397 1.00 0.00 C ATOM 742 CD LYS A 46 -2.324 -1.423 3.658 1.00 0.00 C ATOM 743 CE LYS A 46 -3.410 -1.416 4.722 1.00 0.00 C ATOM 744 NZ LYS A 46 -3.011 -0.630 5.922 1.00 0.00 N ATOM 0 H LYS A 46 -1.997 -2.153 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.522 -4.838 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.847 -4.010 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.838 -2.916 1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.819 -1.442 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.794 -2.524 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.430 -1.907 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.049 -0.398 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.325 -0.998 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.634 -2.441 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.650 -0.853 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.035 -0.873 6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.069 0.386 5.707 1.00 0.00 H new ATOM 758 N ASP A 47 -4.648 -3.782 0.842 1.00 0.00 N ATOM 759 CA ASP A 47 -6.032 -4.223 0.957 1.00 0.00 C ATOM 760 C ASP A 47 -6.414 -5.129 -0.211 1.00 0.00 C ATOM 761 O ASP A 47 -7.329 -5.949 -0.104 1.00 0.00 O ATOM 762 CB ASP A 47 -6.970 -3.015 1.001 1.00 0.00 C ATOM 763 CG ASP A 47 -8.135 -3.223 1.950 1.00 0.00 C ATOM 764 OD1 ASP A 47 -8.982 -4.095 1.667 1.00 0.00 O ATOM 765 OD2 ASP A 47 -8.200 -2.514 2.975 1.00 0.00 O ATOM 0 H ASP A 47 -4.536 -2.776 0.717 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.130 -4.790 1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.408 -2.133 1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.351 -2.818 -0.001 1.00 0.00 H new ATOM 770 N GLU A 48 -5.708 -4.970 -1.324 1.00 0.00 N ATOM 771 CA GLU A 48 -5.965 -5.760 -2.520 1.00 0.00 C ATOM 772 C GLU A 48 -5.524 -7.205 -2.331 1.00 0.00 C ATOM 773 O GLU A 48 -6.107 -8.119 -2.912 1.00 0.00 O ATOM 774 CB GLU A 48 -5.246 -5.146 -3.724 1.00 0.00 C ATOM 775 CG GLU A 48 -6.126 -4.221 -4.550 1.00 0.00 C ATOM 776 CD GLU A 48 -5.843 -4.323 -6.037 1.00 0.00 C ATOM 777 OE1 GLU A 48 -5.829 -5.456 -6.562 1.00 0.00 O ATOM 778 OE2 GLU A 48 -5.636 -3.269 -6.675 1.00 0.00 O ATOM 0 H GLU A 48 -4.948 -4.296 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.040 -5.754 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.377 -4.590 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.875 -5.947 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.173 -4.461 -4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.973 -3.192 -4.224 1.00 0.00 H new ATOM 785 N ILE A 49 -4.495 -7.412 -1.515 1.00 0.00 N ATOM 786 CA ILE A 49 -4.004 -8.762 -1.266 1.00 0.00 C ATOM 787 C ILE A 49 -4.894 -9.483 -0.265 1.00 0.00 C ATOM 788 O ILE A 49 -5.130 -10.685 -0.388 1.00 0.00 O ATOM 789 CB ILE A 49 -2.555 -8.795 -0.742 1.00 0.00 C ATOM 790 CG1 ILE A 49 -1.712 -7.671 -1.343 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.928 -10.146 -1.059 1.00 0.00 C ATOM 792 CD1 ILE A 49 -0.804 -7.002 -0.334 1.00 0.00 C ATOM 0 H ILE A 49 -3.992 -6.674 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.025 -9.265 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.582 -8.646 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.107 -8.074 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.374 -6.923 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.903 -10.168 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.505 -10.936 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.926 -10.302 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.233 -6.214 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.405 -6.570 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.119 -7.739 0.084 1.00 0.00 H new ATOM 804 N LYS A 50 -5.391 -8.747 0.724 1.00 0.00 N ATOM 805 CA LYS A 50 -6.261 -9.344 1.733 1.00 0.00 C ATOM 806 C LYS A 50 -7.562 -9.820 1.098 1.00 0.00 C ATOM 807 O LYS A 50 -8.173 -10.786 1.555 1.00 0.00 O ATOM 808 CB LYS A 50 -6.559 -8.354 2.856 1.00 0.00 C ATOM 809 CG LYS A 50 -5.523 -8.364 3.969 1.00 0.00 C ATOM 810 CD LYS A 50 -4.615 -7.150 3.900 1.00 0.00 C ATOM 811 CE LYS A 50 -5.332 -5.892 4.365 1.00 0.00 C ATOM 812 NZ LYS A 50 -4.404 -4.733 4.477 1.00 0.00 N ATOM 0 H LYS A 50 -5.210 -7.751 0.849 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.740 -10.201 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.620 -7.350 2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.537 -8.582 3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.027 -8.387 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.923 -9.272 3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.734 -7.318 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.265 -7.014 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.132 -5.650 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.800 -6.077 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.373 -4.407 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.451 -5.021 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.739 -3.960 3.868 1.00 0.00 H new ATOM 826 N THR A 51 -7.975 -9.139 0.033 1.00 0.00 N ATOM 827 CA THR A 51 -9.199 -9.500 -0.674 1.00 0.00 C ATOM 828 C THR A 51 -8.897 -10.476 -1.808 1.00 0.00 C ATOM 829 O THR A 51 -9.758 -11.258 -2.213 1.00 0.00 O ATOM 830 CB THR A 51 -9.883 -8.250 -1.228 1.00 0.00 C ATOM 831 OG1 THR A 51 -8.934 -7.239 -1.511 1.00 0.00 O ATOM 832 CG2 THR A 51 -10.913 -7.665 -0.284 1.00 0.00 C ATOM 0 H THR A 51 -7.482 -8.337 -0.358 1.00 0.00 H new ATOM 0 HA THR A 51 -9.871 -9.985 0.034 1.00 0.00 H new ATOM 0 HB THR A 51 -10.389 -8.577 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.635 -6.828 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.361 -6.781 -0.737 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.689 -8.405 -0.088 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.431 -7.388 0.654 1.00 0.00 H new ATOM 840 N PHE A 52 -7.667 -10.428 -2.314 1.00 0.00 N ATOM 841 CA PHE A 52 -7.245 -11.308 -3.398 1.00 0.00 C ATOM 842 C PHE A 52 -6.276 -12.373 -2.890 1.00 0.00 C ATOM 843 O PHE A 52 -5.466 -12.901 -3.651 1.00 0.00 O ATOM 844 CB PHE A 52 -6.586 -10.497 -4.515 1.00 0.00 C ATOM 845 CG PHE A 52 -6.489 -11.235 -5.819 1.00 0.00 C ATOM 846 CD1 PHE A 52 -7.580 -11.314 -6.669 1.00 0.00 C ATOM 847 CD2 PHE A 52 -5.305 -11.849 -6.197 1.00 0.00 C ATOM 848 CE1 PHE A 52 -7.493 -11.992 -7.869 1.00 0.00 C ATOM 849 CE2 PHE A 52 -5.212 -12.528 -7.398 1.00 0.00 C ATOM 850 CZ PHE A 52 -6.308 -12.598 -8.236 1.00 0.00 C ATOM 0 H PHE A 52 -6.944 -9.786 -1.989 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.131 -11.806 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.153 -9.579 -4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.585 -10.204 -4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.509 -10.840 -6.390 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.445 -11.796 -5.546 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.352 -12.048 -8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.284 -13.003 -7.680 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.238 -13.125 -9.176 1.00 0.00 H new ATOM 860 N THR A 53 -6.363 -12.683 -1.598 1.00 0.00 N ATOM 861 CA THR A 53 -5.494 -13.683 -0.988 1.00 0.00 C ATOM 862 C THR A 53 -5.517 -14.988 -1.779 1.00 0.00 C ATOM 863 O THR A 53 -4.578 -15.300 -2.510 1.00 0.00 O ATOM 864 CB THR A 53 -5.919 -13.945 0.458 1.00 0.00 C ATOM 865 OG1 THR A 53 -7.305 -14.231 0.529 1.00 0.00 O ATOM 866 CG2 THR A 53 -5.641 -12.782 1.385 1.00 0.00 C ATOM 0 H THR A 53 -7.028 -12.255 -0.954 1.00 0.00 H new ATOM 0 HA THR A 53 -4.476 -13.293 -0.998 1.00 0.00 H new ATOM 0 HB THR A 53 -5.323 -14.797 0.784 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.434 -15.144 0.862 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.967 -13.035 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.572 -12.569 1.391 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.184 -11.903 1.038 1.00 0.00 H new ATOM 874 N VAL A 54 -6.598 -15.747 -1.627 1.00 0.00 N ATOM 875 CA VAL A 54 -6.744 -17.016 -2.326 1.00 0.00 C ATOM 876 C VAL A 54 -7.526 -16.845 -3.625 1.00 0.00 C ATOM 877 O VAL A 54 -8.414 -15.995 -3.720 1.00 0.00 O ATOM 878 CB VAL A 54 -7.453 -18.065 -1.444 1.00 0.00 C ATOM 879 CG1 VAL A 54 -8.853 -17.598 -1.076 1.00 0.00 C ATOM 880 CG2 VAL A 54 -7.498 -19.414 -2.146 1.00 0.00 C ATOM 0 H VAL A 54 -7.385 -15.504 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.738 -17.366 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.882 -18.182 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.336 -18.352 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.790 -16.659 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.437 -17.448 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.002 -20.140 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.042 -19.317 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.482 -19.753 -2.349 1.00 0.00 H new ATOM 890 N THR A 55 -7.191 -17.655 -4.622 1.00 0.00 N ATOM 891 CA THR A 55 -7.864 -17.595 -5.914 1.00 0.00 C ATOM 892 C THR A 55 -8.844 -18.752 -6.071 1.00 0.00 C ATOM 893 O THR A 55 -9.836 -18.646 -6.794 1.00 0.00 O ATOM 894 CB THR A 55 -6.839 -17.622 -7.049 1.00 0.00 C ATOM 895 OG1 THR A 55 -5.883 -16.587 -6.886 1.00 0.00 O ATOM 896 CG2 THR A 55 -7.459 -17.462 -8.419 1.00 0.00 C ATOM 0 H THR A 55 -6.457 -18.361 -4.561 1.00 0.00 H new ATOM 0 HA THR A 55 -8.423 -16.660 -5.961 1.00 0.00 H new ATOM 0 HB THR A 55 -6.371 -18.605 -6.993 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.235 -16.622 -7.620 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.677 -17.490 -9.178 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.165 -18.273 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.982 -16.507 -8.472 1.00 0.00 H new ATOM 904 N GLU A 56 -8.560 -19.859 -5.389 1.00 0.00 N ATOM 905 CA GLU A 56 -9.419 -21.037 -5.453 1.00 0.00 C ATOM 906 C GLU A 56 -10.843 -20.699 -5.022 1.00 0.00 C ATOM 907 O GLU A 56 -11.770 -21.440 -5.410 1.00 0.00 O ATOM 908 CB GLU A 56 -8.857 -22.152 -4.568 1.00 0.00 C ATOM 909 CG GLU A 56 -7.435 -22.541 -4.922 1.00 0.00 C ATOM 910 CD GLU A 56 -6.769 -23.350 -3.826 1.00 0.00 C ATOM 911 OE1 GLU A 56 -7.331 -24.394 -3.427 1.00 0.00 O ATOM 912 OE2 GLU A 56 -5.681 -22.941 -3.368 1.00 0.00 O ATOM 913 OXT GLU A 56 -11.018 -19.696 -4.301 1.00 0.00 O ATOM 0 H GLU A 56 -7.743 -19.964 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.445 -21.380 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.890 -21.831 -3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.498 -23.030 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.438 -23.119 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.851 -21.640 -5.112 1.00 0.00 H new TER 920 GLU A 56