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 Set 1.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 8 ASN : amide:sc= -0.652 K(o=-0.91,f=-0.0065) USER MOD Set 2.2: A 11 GLN : amide:sc= -0.258 K(o=-0.91,f=-1.6!) USER MOD Single : A 1 THR N :NH3+ -169:sc= 0.165 (180deg=0.0345) USER MOD Single : A 1 THR OG1 : rot 180:sc=0.000483 USER MOD Single : A 2 THR OG1 : rot -61:sc= 0.917 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= -0.261 (180deg=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 110:sc= -2.9! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.268) USER MOD Single : A 50 LYS NZ :NH3+ 143:sc= -1.6 (180deg=-4.98!) USER MOD Single : A 51 THR OG1 : rot -66:sc= 0.772 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 16.479 20.875 -7.148 1.00 0.00 N ATOM 2 CA THR A 1 15.115 21.451 -7.259 1.00 0.00 C ATOM 3 C THR A 1 14.079 20.361 -7.535 1.00 0.00 C ATOM 4 O THR A 1 14.426 19.242 -7.925 1.00 0.00 O ATOM 5 CB THR A 1 15.103 22.483 -8.383 1.00 0.00 C ATOM 6 OG1 THR A 1 15.557 21.904 -9.603 1.00 0.00 O ATOM 7 CG2 THR A 1 15.980 23.686 -8.105 1.00 0.00 C ATOM 0 H1 THR A 1 17.131 21.596 -6.780 1.00 0.00 H new ATOM 0 H2 THR A 1 16.461 20.061 -6.500 1.00 0.00 H new ATOM 0 H3 THR A 1 16.802 20.563 -8.086 1.00 0.00 H new ATOM 0 HA THR A 1 14.853 21.927 -6.314 1.00 0.00 H new ATOM 0 HB THR A 1 14.067 22.813 -8.456 1.00 0.00 H new ATOM 0 HG1 THR A 1 15.541 22.580 -10.312 1.00 0.00 H new ATOM 0 HG21 THR A 1 15.924 24.379 -8.945 1.00 0.00 H new ATOM 0 HG22 THR A 1 15.636 24.185 -7.199 1.00 0.00 H new ATOM 0 HG23 THR A 1 17.012 23.361 -7.971 1.00 0.00 H new ATOM 17 N THR A 2 12.806 20.689 -7.332 1.00 0.00 N ATOM 18 CA THR A 2 11.724 19.742 -7.559 1.00 0.00 C ATOM 19 C THR A 2 11.919 18.474 -6.731 1.00 0.00 C ATOM 20 O THR A 2 11.510 17.389 -7.135 1.00 0.00 O ATOM 21 CB THR A 2 11.622 19.389 -9.042 1.00 0.00 C ATOM 22 OG1 THR A 2 12.596 18.427 -9.398 1.00 0.00 O ATOM 23 CG2 THR A 2 11.783 20.578 -9.959 1.00 0.00 C ATOM 0 H THR A 2 12.500 21.607 -7.010 1.00 0.00 H new ATOM 0 HA THR A 2 10.795 20.217 -7.244 1.00 0.00 H new ATOM 0 HB THR A 2 10.615 18.994 -9.173 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.491 18.793 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.699 20.252 -10.996 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.005 21.311 -9.745 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.762 21.031 -9.799 1.00 0.00 H new ATOM 31 N TYR A 3 12.562 18.625 -5.571 1.00 0.00 N ATOM 32 CA TYR A 3 12.818 17.491 -4.690 1.00 0.00 C ATOM 33 C TYR A 3 11.544 17.062 -3.977 1.00 0.00 C ATOM 34 O TYR A 3 10.504 17.714 -4.088 1.00 0.00 O ATOM 35 CB TYR A 3 13.893 17.847 -3.666 1.00 0.00 C ATOM 36 CG TYR A 3 15.294 17.836 -4.226 1.00 0.00 C ATOM 37 CD1 TYR A 3 15.749 16.773 -4.999 1.00 0.00 C ATOM 38 CD2 TYR A 3 16.173 18.892 -3.983 1.00 0.00 C ATOM 39 CE1 TYR A 3 17.031 16.760 -5.508 1.00 0.00 C ATOM 40 CE2 TYR A 3 17.460 18.883 -4.500 1.00 0.00 C ATOM 41 CZ TYR A 3 17.885 17.817 -5.259 1.00 0.00 C ATOM 42 OH TYR A 3 19.161 17.801 -5.776 1.00 0.00 O ATOM 0 H TYR A 3 12.912 19.518 -5.224 1.00 0.00 H new ATOM 0 HA TYR A 3 13.170 16.660 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 3 13.682 18.836 -3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 3 13.838 17.143 -2.836 1.00 0.00 H new ATOM 0 HD1 TYR A 3 15.088 15.944 -5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 3 15.846 19.729 -3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 3 17.367 15.923 -6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 3 18.127 19.710 -4.307 1.00 0.00 H new ATOM 0 HH TYR A 3 19.632 18.618 -5.510 1.00 0.00 H new ATOM 52 N LYS A 4 11.626 15.961 -3.237 1.00 0.00 N ATOM 53 CA LYS A 4 10.480 15.446 -2.503 1.00 0.00 C ATOM 54 C LYS A 4 10.830 15.203 -1.042 1.00 0.00 C ATOM 55 O LYS A 4 11.963 15.414 -0.620 1.00 0.00 O ATOM 56 CB LYS A 4 9.974 14.155 -3.141 1.00 0.00 C ATOM 57 CG LYS A 4 9.329 14.359 -4.501 1.00 0.00 C ATOM 58 CD LYS A 4 7.811 14.329 -4.408 1.00 0.00 C ATOM 59 CE LYS A 4 7.243 15.687 -4.028 1.00 0.00 C ATOM 60 NZ LYS A 4 6.006 15.564 -3.208 1.00 0.00 N ATOM 0 H LYS A 4 12.477 15.409 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 4 9.690 16.196 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.807 13.460 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.251 13.688 -2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.650 15.314 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.668 13.582 -5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.394 14.015 -5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.506 13.588 -3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.992 16.251 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.024 16.254 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.651 16.512 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.282 15.049 -3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.220 15.045 -2.332 1.00 0.00 H new ATOM 74 N LEU A 5 9.839 14.764 -0.278 1.00 0.00 N ATOM 75 CA LEU A 5 10.021 14.498 1.136 1.00 0.00 C ATOM 76 C LEU A 5 8.945 13.554 1.657 1.00 0.00 C ATOM 77 O LEU A 5 7.894 13.403 1.037 1.00 0.00 O ATOM 78 CB LEU A 5 9.991 15.824 1.910 1.00 0.00 C ATOM 79 CG LEU A 5 11.205 16.100 2.790 1.00 0.00 C ATOM 80 CD1 LEU A 5 11.275 15.106 3.939 1.00 0.00 C ATOM 81 CD2 LEU A 5 12.483 16.057 1.965 1.00 0.00 C ATOM 0 H LEU A 5 8.895 14.585 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 5 10.986 14.014 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.890 16.640 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.099 15.838 2.537 1.00 0.00 H new ATOM 0 HG LEU A 5 11.101 17.100 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 5 12.149 15.322 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.374 15.189 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.352 14.094 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.339 16.256 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.591 15.071 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.436 16.813 1.181 1.00 0.00 H new ATOM 93 N ILE A 6 9.210 12.918 2.795 1.00 0.00 N ATOM 94 CA ILE A 6 8.256 11.984 3.387 1.00 0.00 C ATOM 95 C ILE A 6 6.907 12.654 3.625 1.00 0.00 C ATOM 96 O ILE A 6 6.660 13.224 4.687 1.00 0.00 O ATOM 97 CB ILE A 6 8.778 11.422 4.724 1.00 0.00 C ATOM 98 CG1 ILE A 6 10.199 10.879 4.554 1.00 0.00 C ATOM 99 CG2 ILE A 6 7.850 10.336 5.245 1.00 0.00 C ATOM 100 CD1 ILE A 6 11.152 11.339 5.635 1.00 0.00 C ATOM 0 H ILE A 6 10.074 13.032 3.324 1.00 0.00 H new ATOM 0 HA ILE A 6 8.133 11.165 2.678 1.00 0.00 H new ATOM 0 HB ILE A 6 8.802 12.231 5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.165 9.790 4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.585 11.190 3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.235 9.951 6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.855 10.752 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 6 7.795 9.525 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.140 10.917 5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.215 12.427 5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.789 11.005 6.607 1.00 0.00 H new ATOM 112 N LEU A 7 6.031 12.576 2.622 1.00 0.00 N ATOM 113 CA LEU A 7 4.706 13.172 2.719 1.00 0.00 C ATOM 114 C LEU A 7 3.802 12.344 3.631 1.00 0.00 C ATOM 115 O LEU A 7 3.598 12.699 4.797 1.00 0.00 O ATOM 116 CB LEU A 7 4.081 13.292 1.329 1.00 0.00 C ATOM 117 CG LEU A 7 4.226 14.662 0.669 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.571 15.732 1.525 1.00 0.00 C ATOM 119 CD2 LEU A 7 5.689 14.983 0.427 1.00 0.00 C ATOM 0 H LEU A 7 6.219 12.106 1.736 1.00 0.00 H new ATOM 0 HA LEU A 7 4.809 14.167 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.533 12.543 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.020 13.052 1.403 1.00 0.00 H new ATOM 0 HG LEU A 7 3.720 14.640 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.682 16.703 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.512 15.505 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.049 15.757 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.774 15.962 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.222 14.990 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.124 14.227 -0.227 1.00 0.00 H new ATOM 131 N ASN A 8 3.275 11.252 3.105 1.00 0.00 N ATOM 132 CA ASN A 8 2.397 10.377 3.874 1.00 0.00 C ATOM 133 C ASN A 8 2.551 8.926 3.433 1.00 0.00 C ATOM 134 O ASN A 8 1.605 8.141 3.503 1.00 0.00 O ATOM 135 CB ASN A 8 0.940 10.817 3.722 1.00 0.00 C ATOM 136 CG ASN A 8 0.009 10.071 4.654 1.00 0.00 C ATOM 137 OD1 ASN A 8 0.233 10.022 5.866 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.045 9.485 4.099 1.00 0.00 N ATOM 0 H ASN A 8 3.438 10.947 2.146 1.00 0.00 H new ATOM 0 HA ASN A 8 2.683 10.451 4.923 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.865 11.887 3.918 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.621 10.658 2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.707 8.970 4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.193 9.550 3.092 1.00 0.00 H new ATOM 145 N LEU A 9 3.756 8.570 2.996 1.00 0.00 N ATOM 146 CA LEU A 9 4.041 7.209 2.564 1.00 0.00 C ATOM 147 C LEU A 9 4.473 6.384 3.760 1.00 0.00 C ATOM 148 O LEU A 9 4.022 5.257 3.956 1.00 0.00 O ATOM 149 CB LEU A 9 5.133 7.194 1.494 1.00 0.00 C ATOM 150 CG LEU A 9 4.711 7.743 0.130 1.00 0.00 C ATOM 151 CD1 LEU A 9 3.612 6.882 -0.476 1.00 0.00 C ATOM 152 CD2 LEU A 9 4.253 9.187 0.257 1.00 0.00 C ATOM 0 H LEU A 9 4.550 9.207 2.932 1.00 0.00 H new ATOM 0 HA LEU A 9 3.137 6.781 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.982 7.774 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.479 6.169 1.365 1.00 0.00 H new ATOM 0 HG LEU A 9 5.574 7.714 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.325 7.288 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.977 5.863 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.746 6.878 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.956 9.562 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.404 9.241 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.070 9.795 0.646 1.00 0.00 H new ATOM 164 N LYS A 10 5.343 6.981 4.563 1.00 0.00 N ATOM 165 CA LYS A 10 5.855 6.353 5.770 1.00 0.00 C ATOM 166 C LYS A 10 4.724 5.685 6.546 1.00 0.00 C ATOM 167 O LYS A 10 4.896 4.615 7.129 1.00 0.00 O ATOM 168 CB LYS A 10 6.532 7.411 6.630 1.00 0.00 C ATOM 169 CG LYS A 10 7.941 7.039 7.061 1.00 0.00 C ATOM 170 CD LYS A 10 8.866 6.868 5.866 1.00 0.00 C ATOM 171 CE LYS A 10 9.968 5.861 6.151 1.00 0.00 C ATOM 172 NZ LYS A 10 9.970 4.743 5.168 1.00 0.00 N ATOM 0 H LYS A 10 5.713 7.916 4.394 1.00 0.00 H new ATOM 0 HA LYS A 10 6.579 5.584 5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.567 8.349 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.925 7.588 7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.336 7.812 7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.914 6.113 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.288 6.541 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.309 7.830 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.934 6.365 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.841 5.460 7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.737 4.079 5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.058 4.245 5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.117 5.122 4.211 1.00 0.00 H new ATOM 186 N GLN A 11 3.565 6.332 6.531 1.00 0.00 N ATOM 187 CA GLN A 11 2.388 5.820 7.215 1.00 0.00 C ATOM 188 C GLN A 11 1.826 4.612 6.475 1.00 0.00 C ATOM 189 O GLN A 11 1.444 3.616 7.089 1.00 0.00 O ATOM 190 CB GLN A 11 1.330 6.920 7.319 1.00 0.00 C ATOM 191 CG GLN A 11 0.000 6.443 7.885 1.00 0.00 C ATOM 192 CD GLN A 11 -1.033 7.550 7.956 1.00 0.00 C ATOM 193 OE1 GLN A 11 -1.566 7.985 6.934 1.00 0.00 O ATOM 194 NE2 GLN A 11 -1.323 8.013 9.166 1.00 0.00 N ATOM 0 H GLN A 11 3.417 7.218 6.048 1.00 0.00 H new ATOM 0 HA GLN A 11 2.672 5.505 8.219 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.715 7.723 7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.162 7.344 6.329 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.384 5.632 7.267 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.159 6.035 8.883 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.858 7.624 9.986 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.011 8.758 9.276 1.00 0.00 H new ATOM 203 N ALA A 12 1.787 4.706 5.149 1.00 0.00 N ATOM 204 CA ALA A 12 1.282 3.619 4.320 1.00 0.00 C ATOM 205 C ALA A 12 2.247 2.439 4.333 1.00 0.00 C ATOM 206 O ALA A 12 1.836 1.291 4.496 1.00 0.00 O ATOM 207 CB ALA A 12 1.058 4.104 2.894 1.00 0.00 C ATOM 0 H ALA A 12 2.099 5.524 4.627 1.00 0.00 H new ATOM 0 HA ALA A 12 0.329 3.287 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.681 3.282 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.332 4.917 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.001 4.460 2.479 1.00 0.00 H new ATOM 213 N LYS A 13 3.532 2.734 4.170 1.00 0.00 N ATOM 214 CA LYS A 13 4.559 1.699 4.171 1.00 0.00 C ATOM 215 C LYS A 13 4.575 0.964 5.507 1.00 0.00 C ATOM 216 O LYS A 13 4.801 -0.245 5.561 1.00 0.00 O ATOM 217 CB LYS A 13 5.934 2.308 3.891 1.00 0.00 C ATOM 218 CG LYS A 13 6.016 3.031 2.556 1.00 0.00 C ATOM 219 CD LYS A 13 7.302 2.697 1.813 1.00 0.00 C ATOM 220 CE LYS A 13 8.311 3.830 1.905 1.00 0.00 C ATOM 221 NZ LYS A 13 7.821 5.065 1.234 1.00 0.00 N ATOM 0 H LYS A 13 3.887 3.681 4.036 1.00 0.00 H new ATOM 0 HA LYS A 13 4.325 0.985 3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.183 3.007 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.684 1.518 3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.159 2.758 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.960 4.107 2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.737 1.787 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.076 2.494 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.521 4.045 2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.250 3.517 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.583 5.470 0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.010 4.832 0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.528 5.757 1.952 1.00 0.00 H new ATOM 235 N GLU A 14 4.327 1.705 6.582 1.00 0.00 N ATOM 236 CA GLU A 14 4.304 1.119 7.923 1.00 0.00 C ATOM 237 C GLU A 14 3.037 0.295 8.122 1.00 0.00 C ATOM 238 O GLU A 14 3.050 -0.728 8.807 1.00 0.00 O ATOM 239 CB GLU A 14 4.396 2.202 9.009 1.00 0.00 C ATOM 240 CG GLU A 14 4.540 1.636 10.412 1.00 0.00 C ATOM 241 CD GLU A 14 3.847 2.490 11.457 1.00 0.00 C ATOM 242 OE1 GLU A 14 3.803 3.726 11.279 1.00 0.00 O ATOM 243 OE2 GLU A 14 3.348 1.923 12.453 1.00 0.00 O ATOM 0 H GLU A 14 4.140 2.707 6.555 1.00 0.00 H new ATOM 0 HA GLU A 14 5.174 0.469 8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.247 2.848 8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.503 2.826 8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.126 0.628 10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.598 1.552 10.660 1.00 0.00 H new ATOM 250 N GLU A 15 1.946 0.744 7.511 1.00 0.00 N ATOM 251 CA GLU A 15 0.671 0.047 7.613 1.00 0.00 C ATOM 252 C GLU A 15 0.647 -1.167 6.689 1.00 0.00 C ATOM 253 O GLU A 15 0.103 -2.215 7.034 1.00 0.00 O ATOM 254 CB GLU A 15 -0.483 0.993 7.270 1.00 0.00 C ATOM 255 CG GLU A 15 -1.510 1.127 8.383 1.00 0.00 C ATOM 256 CD GLU A 15 -0.985 1.911 9.571 1.00 0.00 C ATOM 257 OE1 GLU A 15 0.253 2.026 9.704 1.00 0.00 O ATOM 258 OE2 GLU A 15 -1.808 2.408 10.366 1.00 0.00 O ATOM 0 H GLU A 15 1.920 1.588 6.940 1.00 0.00 H new ATOM 0 HA GLU A 15 0.550 -0.296 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.078 1.978 7.040 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.980 0.634 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.401 1.619 7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.814 0.134 8.714 1.00 0.00 H new ATOM 265 N ALA A 16 1.250 -1.017 5.513 1.00 0.00 N ATOM 266 CA ALA A 16 1.306 -2.102 4.540 1.00 0.00 C ATOM 267 C ALA A 16 2.059 -3.299 5.110 1.00 0.00 C ATOM 268 O ALA A 16 1.586 -4.433 5.042 1.00 0.00 O ATOM 269 CB ALA A 16 1.963 -1.623 3.252 1.00 0.00 C ATOM 0 H ALA A 16 1.706 -0.156 5.212 1.00 0.00 H new ATOM 0 HA ALA A 16 0.287 -2.416 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.998 -2.443 2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.385 -0.799 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.977 -1.284 3.465 1.00 0.00 H new ATOM 275 N ILE A 17 3.232 -3.034 5.677 1.00 0.00 N ATOM 276 CA ILE A 17 4.051 -4.085 6.266 1.00 0.00 C ATOM 277 C ILE A 17 3.335 -4.733 7.451 1.00 0.00 C ATOM 278 O ILE A 17 3.231 -5.955 7.536 1.00 0.00 O ATOM 279 CB ILE A 17 5.430 -3.551 6.729 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.201 -4.641 7.487 1.00 0.00 C ATOM 281 CG2 ILE A 17 5.264 -2.314 7.601 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.256 -5.954 6.742 1.00 0.00 C ATOM 0 H ILE A 17 3.636 -2.099 5.740 1.00 0.00 H new ATOM 0 HA ILE A 17 4.214 -4.831 5.488 1.00 0.00 H new ATOM 0 HB ILE A 17 6.002 -3.272 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.217 -4.294 7.676 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.733 -4.800 8.458 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.244 -1.956 7.915 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.757 -1.534 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.671 -2.566 8.480 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.814 -6.683 7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.243 -6.321 6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.750 -5.807 5.782 1.00 0.00 H new ATOM 294 N LYS A 18 2.844 -3.895 8.358 1.00 0.00 N ATOM 295 CA LYS A 18 2.133 -4.355 9.550 1.00 0.00 C ATOM 296 C LYS A 18 1.016 -5.316 9.180 1.00 0.00 C ATOM 297 O LYS A 18 0.901 -6.399 9.753 1.00 0.00 O ATOM 298 CB LYS A 18 1.559 -3.162 10.316 1.00 0.00 C ATOM 299 CG LYS A 18 0.802 -3.552 11.576 1.00 0.00 C ATOM 300 CD LYS A 18 0.826 -2.439 12.610 1.00 0.00 C ATOM 301 CE LYS A 18 -0.476 -1.656 12.615 1.00 0.00 C ATOM 302 NZ LYS A 18 -0.449 -0.542 13.603 1.00 0.00 N ATOM 0 H LYS A 18 2.926 -2.881 8.290 1.00 0.00 H new ATOM 0 HA LYS A 18 2.845 -4.882 10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.373 -2.489 10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.890 -2.607 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.231 -3.791 11.322 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.242 -4.454 12.001 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.001 -2.863 13.599 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.657 -1.765 12.401 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.662 -1.254 11.619 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.303 -2.327 12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.355 -0.032 13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.297 -0.928 14.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.324 0.113 13.367 1.00 0.00 H new ATOM 316 N GLU A 19 0.199 -4.927 8.204 1.00 0.00 N ATOM 317 CA GLU A 19 -0.890 -5.780 7.760 1.00 0.00 C ATOM 318 C GLU A 19 -0.322 -7.104 7.286 1.00 0.00 C ATOM 319 O GLU A 19 -0.834 -8.171 7.623 1.00 0.00 O ATOM 320 CB GLU A 19 -1.694 -5.106 6.646 1.00 0.00 C ATOM 321 CG GLU A 19 -2.327 -3.790 7.064 1.00 0.00 C ATOM 322 CD GLU A 19 -3.710 -3.973 7.661 1.00 0.00 C ATOM 323 OE1 GLU A 19 -4.549 -4.641 7.020 1.00 0.00 O ATOM 324 OE2 GLU A 19 -3.953 -3.448 8.768 1.00 0.00 O ATOM 0 H GLU A 19 0.272 -4.036 7.713 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.569 -5.955 8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.039 -4.930 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.477 -5.786 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.683 -3.296 7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.393 -3.131 6.198 1.00 0.00 H new ATOM 331 N LEU A 20 0.769 -7.030 6.538 1.00 0.00 N ATOM 332 CA LEU A 20 1.434 -8.224 6.066 1.00 0.00 C ATOM 333 C LEU A 20 2.009 -8.978 7.258 1.00 0.00 C ATOM 334 O LEU A 20 2.131 -10.195 7.237 1.00 0.00 O ATOM 335 CB LEU A 20 2.543 -7.850 5.095 1.00 0.00 C ATOM 336 CG LEU A 20 2.527 -8.634 3.789 1.00 0.00 C ATOM 337 CD1 LEU A 20 1.637 -7.927 2.786 1.00 0.00 C ATOM 338 CD2 LEU A 20 3.940 -8.805 3.252 1.00 0.00 C ATOM 0 H LEU A 20 1.208 -6.156 6.248 1.00 0.00 H new ATOM 0 HA LEU A 20 0.719 -8.861 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.467 -6.787 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.505 -8.003 5.585 1.00 0.00 H new ATOM 0 HG LEU A 20 2.123 -9.630 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.625 -8.488 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.624 -7.861 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.021 -6.924 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.909 -9.367 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.381 -7.825 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.543 -9.345 3.981 1.00 0.00 H new ATOM 350 N VAL A 21 2.354 -8.222 8.300 1.00 0.00 N ATOM 351 CA VAL A 21 2.912 -8.794 9.514 1.00 0.00 C ATOM 352 C VAL A 21 1.833 -9.492 10.339 1.00 0.00 C ATOM 353 O VAL A 21 2.093 -10.515 10.975 1.00 0.00 O ATOM 354 CB VAL A 21 3.620 -7.742 10.401 1.00 0.00 C ATOM 355 CG1 VAL A 21 4.312 -8.421 11.574 1.00 0.00 C ATOM 356 CG2 VAL A 21 4.623 -6.940 9.586 1.00 0.00 C ATOM 0 H VAL A 21 2.254 -7.207 8.322 1.00 0.00 H new ATOM 0 HA VAL A 21 3.657 -9.519 9.187 1.00 0.00 H new ATOM 0 HB VAL A 21 2.867 -7.056 10.789 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.806 -7.669 12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.574 -8.953 12.174 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.053 -9.128 11.200 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.110 -6.206 10.228 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.373 -7.612 9.169 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.106 -6.427 8.776 1.00 0.00 H new ATOM 366 N ASP A 22 0.621 -8.938 10.334 1.00 0.00 N ATOM 367 CA ASP A 22 -0.483 -9.520 11.089 1.00 0.00 C ATOM 368 C ASP A 22 -1.268 -10.523 10.246 1.00 0.00 C ATOM 369 O ASP A 22 -2.012 -11.342 10.780 1.00 0.00 O ATOM 370 CB ASP A 22 -1.413 -8.433 11.622 1.00 0.00 C ATOM 371 CG ASP A 22 -2.034 -7.604 10.515 1.00 0.00 C ATOM 372 OD1 ASP A 22 -2.445 -8.189 9.492 1.00 0.00 O ATOM 373 OD2 ASP A 22 -2.118 -6.367 10.678 1.00 0.00 O ATOM 0 H ASP A 22 0.381 -8.091 9.818 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.052 -10.054 11.936 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.204 -8.894 12.213 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.855 -7.779 12.292 1.00 0.00 H new ATOM 378 N ALA A 23 -1.107 -10.451 8.929 1.00 0.00 N ATOM 379 CA ALA A 23 -1.811 -11.351 8.025 1.00 0.00 C ATOM 380 C ALA A 23 -0.841 -12.277 7.293 1.00 0.00 C ATOM 381 O ALA A 23 -0.974 -13.498 7.348 1.00 0.00 O ATOM 382 CB ALA A 23 -2.634 -10.560 7.024 1.00 0.00 C ATOM 0 H ALA A 23 -0.496 -9.779 8.465 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.479 -11.969 8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.153 -11.247 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.364 -9.949 7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.976 -9.915 6.441 1.00 0.00 H new ATOM 388 N GLY A 24 0.128 -11.684 6.602 1.00 0.00 N ATOM 389 CA GLY A 24 1.100 -12.470 5.863 1.00 0.00 C ATOM 390 C GLY A 24 0.910 -12.347 4.362 1.00 0.00 C ATOM 391 O GLY A 24 1.578 -11.553 3.711 1.00 0.00 O ATOM 0 H GLY A 24 0.257 -10.674 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.106 -12.145 6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.016 -13.517 6.154 1.00 0.00 H new ATOM 395 N THR A 25 -0.016 -13.135 3.823 1.00 0.00 N ATOM 396 CA THR A 25 -0.313 -13.120 2.396 1.00 0.00 C ATOM 397 C THR A 25 0.948 -13.039 1.535 1.00 0.00 C ATOM 398 O THR A 25 2.060 -13.229 2.020 1.00 0.00 O ATOM 399 CB THR A 25 -1.247 -11.948 2.074 1.00 0.00 C ATOM 400 OG1 THR A 25 -1.913 -12.166 0.844 1.00 0.00 O ATOM 401 CG2 THR A 25 -0.541 -10.608 1.983 1.00 0.00 C ATOM 0 H THR A 25 -0.577 -13.797 4.359 1.00 0.00 H new ATOM 0 HA THR A 25 -0.803 -14.064 2.155 1.00 0.00 H new ATOM 0 HB THR A 25 -1.948 -11.907 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.862 -12.341 1.013 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.268 -9.829 1.752 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.060 -10.385 2.935 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.212 -10.646 1.196 1.00 0.00 H new ATOM 409 N ALA A 26 0.752 -12.747 0.254 1.00 0.00 N ATOM 410 CA ALA A 26 1.856 -12.630 -0.687 1.00 0.00 C ATOM 411 C ALA A 26 2.610 -11.324 -0.470 1.00 0.00 C ATOM 412 O ALA A 26 2.122 -10.250 -0.818 1.00 0.00 O ATOM 413 CB ALA A 26 1.333 -12.712 -2.111 1.00 0.00 C ATOM 0 H ALA A 26 -0.168 -12.586 -0.157 1.00 0.00 H new ATOM 0 HA ALA A 26 2.549 -13.454 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.165 -12.624 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.833 -13.669 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.625 -11.902 -2.286 1.00 0.00 H new ATOM 419 N GLU A 27 3.796 -11.423 0.113 1.00 0.00 N ATOM 420 CA GLU A 27 4.610 -10.245 0.386 1.00 0.00 C ATOM 421 C GLU A 27 4.979 -9.520 -0.903 1.00 0.00 C ATOM 422 O GLU A 27 5.142 -8.303 -0.909 1.00 0.00 O ATOM 423 CB GLU A 27 5.876 -10.633 1.147 1.00 0.00 C ATOM 424 CG GLU A 27 6.592 -11.838 0.558 1.00 0.00 C ATOM 425 CD GLU A 27 8.077 -11.596 0.358 1.00 0.00 C ATOM 426 OE1 GLU A 27 8.666 -10.840 1.158 1.00 0.00 O ATOM 427 OE2 GLU A 27 8.645 -12.159 -0.600 1.00 0.00 O ATOM 0 H GLU A 27 4.216 -12.305 0.406 1.00 0.00 H new ATOM 0 HA GLU A 27 4.019 -9.568 1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.559 -9.784 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.616 -10.846 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.453 -12.696 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.137 -12.094 -0.399 1.00 0.00 H new ATOM 434 N LYS A 28 5.107 -10.267 -1.995 1.00 0.00 N ATOM 435 CA LYS A 28 5.451 -9.678 -3.288 1.00 0.00 C ATOM 436 C LYS A 28 4.643 -8.408 -3.535 1.00 0.00 C ATOM 437 O LYS A 28 5.119 -7.464 -4.170 1.00 0.00 O ATOM 438 CB LYS A 28 5.202 -10.683 -4.414 1.00 0.00 C ATOM 439 CG LYS A 28 3.870 -11.407 -4.298 1.00 0.00 C ATOM 440 CD LYS A 28 4.056 -12.915 -4.239 1.00 0.00 C ATOM 441 CE LYS A 28 2.992 -13.642 -5.046 1.00 0.00 C ATOM 442 NZ LYS A 28 2.762 -15.020 -4.551 1.00 0.00 N ATOM 0 H LYS A 28 4.978 -11.279 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 28 6.510 -9.419 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.241 -10.162 -5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.007 -11.418 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.348 -11.069 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.240 -11.151 -5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.044 -13.176 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.017 -13.247 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.058 -13.081 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.294 -13.679 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.030 -15.479 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.646 -15.564 -4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.449 -14.985 -3.560 1.00 0.00 H new ATOM 456 N TYR A 29 3.420 -8.386 -3.013 1.00 0.00 N ATOM 457 CA TYR A 29 2.554 -7.228 -3.168 1.00 0.00 C ATOM 458 C TYR A 29 3.070 -6.062 -2.332 1.00 0.00 C ATOM 459 O TYR A 29 3.093 -4.921 -2.795 1.00 0.00 O ATOM 460 CB TYR A 29 1.118 -7.579 -2.783 1.00 0.00 C ATOM 461 CG TYR A 29 0.155 -7.509 -3.932 1.00 0.00 C ATOM 462 CD1 TYR A 29 -0.136 -6.308 -4.561 1.00 0.00 C ATOM 463 CD2 TYR A 29 -0.464 -8.658 -4.386 1.00 0.00 C ATOM 464 CE1 TYR A 29 -1.023 -6.259 -5.617 1.00 0.00 C ATOM 465 CE2 TYR A 29 -1.347 -8.620 -5.436 1.00 0.00 C ATOM 466 CZ TYR A 29 -1.629 -7.420 -6.052 1.00 0.00 C ATOM 467 OH TYR A 29 -2.514 -7.379 -7.105 1.00 0.00 O ATOM 0 H TYR A 29 3.010 -9.154 -2.482 1.00 0.00 H new ATOM 0 HA TYR A 29 2.561 -6.926 -4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.098 -8.585 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.785 -6.900 -1.998 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.338 -5.399 -4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.249 -9.602 -3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.242 -5.318 -6.100 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.820 -9.529 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.850 -8.282 -7.285 1.00 0.00 H new ATOM 477 N ILE A 30 3.509 -6.351 -1.106 1.00 0.00 N ATOM 478 CA ILE A 30 4.048 -5.309 -0.235 1.00 0.00 C ATOM 479 C ILE A 30 5.221 -4.628 -0.935 1.00 0.00 C ATOM 480 O ILE A 30 5.452 -3.429 -0.779 1.00 0.00 O ATOM 481 CB ILE A 30 4.485 -5.875 1.147 1.00 0.00 C ATOM 482 CG1 ILE A 30 4.557 -4.764 2.204 1.00 0.00 C ATOM 483 CG2 ILE A 30 5.823 -6.604 1.061 1.00 0.00 C ATOM 484 CD1 ILE A 30 5.573 -3.689 1.890 1.00 0.00 C ATOM 0 H ILE A 30 3.502 -7.286 -0.699 1.00 0.00 H new ATOM 0 HA ILE A 30 3.261 -4.580 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 30 3.725 -6.596 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.574 -4.304 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.799 -5.209 3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.094 -6.985 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.740 -7.435 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.592 -5.913 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.566 -2.940 2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.565 -4.135 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.321 -3.216 0.941 1.00 0.00 H new ATOM 496 N LYS A 31 5.932 -5.403 -1.749 1.00 0.00 N ATOM 497 CA LYS A 31 7.051 -4.885 -2.515 1.00 0.00 C ATOM 498 C LYS A 31 6.531 -3.926 -3.579 1.00 0.00 C ATOM 499 O LYS A 31 7.197 -2.957 -3.943 1.00 0.00 O ATOM 500 CB LYS A 31 7.824 -6.032 -3.165 1.00 0.00 C ATOM 501 CG LYS A 31 9.065 -5.580 -3.922 1.00 0.00 C ATOM 502 CD LYS A 31 10.337 -6.121 -3.286 1.00 0.00 C ATOM 503 CE LYS A 31 10.383 -7.640 -3.335 1.00 0.00 C ATOM 504 NZ LYS A 31 11.247 -8.132 -4.442 1.00 0.00 N ATOM 0 H LYS A 31 5.748 -6.396 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 31 7.729 -4.351 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.119 -6.743 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.163 -6.561 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.003 -5.917 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.103 -4.491 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.205 -5.713 -3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.397 -5.787 -2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.756 -8.023 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.373 -8.030 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.252 -9.172 -4.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.877 -7.788 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.217 -7.781 -4.308 1.00 0.00 H new ATOM 518 N LEU A 32 5.321 -4.207 -4.061 1.00 0.00 N ATOM 519 CA LEU A 32 4.682 -3.372 -5.072 1.00 0.00 C ATOM 520 C LEU A 32 4.232 -2.044 -4.470 1.00 0.00 C ATOM 521 O LEU A 32 4.217 -1.019 -5.151 1.00 0.00 O ATOM 522 CB LEU A 32 3.479 -4.102 -5.680 1.00 0.00 C ATOM 523 CG LEU A 32 3.387 -4.042 -7.206 1.00 0.00 C ATOM 524 CD1 LEU A 32 4.237 -5.134 -7.834 1.00 0.00 C ATOM 525 CD2 LEU A 32 1.940 -4.162 -7.658 1.00 0.00 C ATOM 0 H LEU A 32 4.764 -5.009 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 32 5.411 -3.169 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.516 -5.148 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.567 -3.679 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 32 3.770 -3.077 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.160 -5.076 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.277 -5.001 -7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.885 -6.109 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.894 -4.117 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.530 -5.112 -7.316 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.358 -3.343 -7.236 1.00 0.00 H new ATOM 537 N ILE A 33 3.861 -2.070 -3.192 1.00 0.00 N ATOM 538 CA ILE A 33 3.406 -0.866 -2.507 1.00 0.00 C ATOM 539 C ILE A 33 4.563 0.092 -2.240 1.00 0.00 C ATOM 540 O ILE A 33 4.377 1.308 -2.199 1.00 0.00 O ATOM 541 CB ILE A 33 2.664 -1.192 -1.185 1.00 0.00 C ATOM 542 CG1 ILE A 33 3.647 -1.469 -0.039 1.00 0.00 C ATOM 543 CG2 ILE A 33 1.729 -2.377 -1.381 1.00 0.00 C ATOM 544 CD1 ILE A 33 3.612 -0.420 1.049 1.00 0.00 C ATOM 0 H ILE A 33 3.867 -2.910 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 33 2.697 -0.377 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 33 2.074 -0.317 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.420 -2.442 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.657 -1.529 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.215 -2.594 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.995 -2.138 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.306 -3.249 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.331 -0.678 1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.868 0.551 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.612 -0.376 1.480 1.00 0.00 H new ATOM 556 N ALA A 34 5.761 -0.460 -2.066 1.00 0.00 N ATOM 557 CA ALA A 34 6.947 0.353 -1.812 1.00 0.00 C ATOM 558 C ALA A 34 7.129 1.415 -2.893 1.00 0.00 C ATOM 559 O ALA A 34 7.653 2.498 -2.636 1.00 0.00 O ATOM 560 CB ALA A 34 8.182 -0.529 -1.723 1.00 0.00 C ATOM 0 H ALA A 34 5.936 -1.464 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 34 6.809 0.863 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.059 0.090 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.060 -1.244 -0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.314 -1.066 -2.662 1.00 0.00 H new ATOM 566 N ASN A 35 6.685 1.094 -4.105 1.00 0.00 N ATOM 567 CA ASN A 35 6.790 2.014 -5.235 1.00 0.00 C ATOM 568 C ASN A 35 5.443 2.673 -5.538 1.00 0.00 C ATOM 569 O ASN A 35 5.343 3.516 -6.431 1.00 0.00 O ATOM 570 CB ASN A 35 7.305 1.275 -6.474 1.00 0.00 C ATOM 571 CG ASN A 35 8.559 1.903 -7.031 1.00 0.00 C ATOM 572 OD1 ASN A 35 8.499 2.863 -7.799 1.00 0.00 O ATOM 573 ND2 ASN A 35 9.716 1.361 -6.658 1.00 0.00 N ATOM 0 H ASN A 35 6.248 0.201 -4.331 1.00 0.00 H new ATOM 0 HA ASN A 35 7.499 2.798 -4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.505 0.235 -6.218 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.531 1.272 -7.241 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.594 1.741 -7.011 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.724 0.566 -6.019 1.00 0.00 H new ATOM 580 N ALA A 36 4.407 2.275 -4.796 1.00 0.00 N ATOM 581 CA ALA A 36 3.058 2.810 -4.978 1.00 0.00 C ATOM 582 C ALA A 36 3.066 4.305 -5.283 1.00 0.00 C ATOM 583 O ALA A 36 2.212 4.799 -6.019 1.00 0.00 O ATOM 584 CB ALA A 36 2.221 2.535 -3.738 1.00 0.00 C ATOM 0 H ALA A 36 4.480 1.577 -4.056 1.00 0.00 H new ATOM 0 HA ALA A 36 2.619 2.306 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.217 2.936 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.162 1.460 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.683 3.012 -2.874 1.00 0.00 H new ATOM 590 N LYS A 37 4.031 5.020 -4.711 1.00 0.00 N ATOM 591 CA LYS A 37 4.147 6.462 -4.920 1.00 0.00 C ATOM 592 C LYS A 37 2.964 7.195 -4.292 1.00 0.00 C ATOM 593 O LYS A 37 3.108 7.862 -3.269 1.00 0.00 O ATOM 594 CB LYS A 37 4.235 6.785 -6.414 1.00 0.00 C ATOM 595 CG LYS A 37 5.654 7.040 -6.897 1.00 0.00 C ATOM 596 CD LYS A 37 5.690 8.095 -7.991 1.00 0.00 C ATOM 597 CE LYS A 37 6.917 8.980 -7.867 1.00 0.00 C ATOM 598 NZ LYS A 37 6.719 10.077 -6.884 1.00 0.00 N ATOM 0 H LYS A 37 4.745 4.625 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 37 5.063 6.802 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.809 5.958 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.625 7.663 -6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.272 7.362 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.084 6.111 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.687 7.610 -8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.790 8.708 -7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.771 8.374 -7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.156 9.406 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.581 10.656 -6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.920 10.672 -7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.517 9.672 -5.948 1.00 0.00 H new ATOM 612 N THR A 38 1.793 7.061 -4.908 1.00 0.00 N ATOM 613 CA THR A 38 0.588 7.706 -4.404 1.00 0.00 C ATOM 614 C THR A 38 0.122 7.037 -3.114 1.00 0.00 C ATOM 615 O THR A 38 0.001 5.814 -3.049 1.00 0.00 O ATOM 616 CB THR A 38 -0.524 7.652 -5.452 1.00 0.00 C ATOM 617 OG1 THR A 38 -1.068 6.347 -5.540 1.00 0.00 O ATOM 618 CG2 THR A 38 -0.061 8.052 -6.836 1.00 0.00 C ATOM 0 H THR A 38 1.654 6.512 -5.756 1.00 0.00 H new ATOM 0 HA THR A 38 0.822 8.749 -4.192 1.00 0.00 H new ATOM 0 HB THR A 38 -1.273 8.369 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.779 6.334 -6.214 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.898 7.992 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.318 9.074 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.731 7.379 -7.163 1.00 0.00 H new ATOM 626 N VAL A 39 -0.131 7.845 -2.088 1.00 0.00 N ATOM 627 CA VAL A 39 -0.577 7.325 -0.799 1.00 0.00 C ATOM 628 C VAL A 39 -1.761 6.371 -0.954 1.00 0.00 C ATOM 629 O VAL A 39 -1.739 5.251 -0.442 1.00 0.00 O ATOM 630 CB VAL A 39 -0.972 8.464 0.164 1.00 0.00 C ATOM 631 CG1 VAL A 39 0.265 9.191 0.667 1.00 0.00 C ATOM 632 CG2 VAL A 39 -1.930 9.436 -0.511 1.00 0.00 C ATOM 0 H VAL A 39 -0.035 8.860 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 39 0.267 6.778 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.484 8.024 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.033 9.991 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.910 8.489 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.807 9.615 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.194 10.230 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.450 9.869 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.832 8.905 -0.815 1.00 0.00 H new ATOM 642 N GLU A 40 -2.794 6.820 -1.661 1.00 0.00 N ATOM 643 CA GLU A 40 -3.984 6.006 -1.879 1.00 0.00 C ATOM 644 C GLU A 40 -3.631 4.680 -2.552 1.00 0.00 C ATOM 645 O GLU A 40 -4.093 3.620 -2.133 1.00 0.00 O ATOM 646 CB GLU A 40 -5.001 6.772 -2.730 1.00 0.00 C ATOM 647 CG GLU A 40 -6.269 7.140 -1.976 1.00 0.00 C ATOM 648 CD GLU A 40 -6.272 8.584 -1.511 1.00 0.00 C ATOM 649 OE1 GLU A 40 -5.176 9.131 -1.268 1.00 0.00 O ATOM 650 OE2 GLU A 40 -7.369 9.165 -1.392 1.00 0.00 O ATOM 0 H GLU A 40 -2.830 7.743 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.424 5.787 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.535 7.682 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.266 6.167 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.133 6.967 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.377 6.484 -1.113 1.00 0.00 H new ATOM 657 N GLY A 41 -2.814 4.752 -3.599 1.00 0.00 N ATOM 658 CA GLY A 41 -2.418 3.551 -4.314 1.00 0.00 C ATOM 659 C GLY A 41 -1.760 2.520 -3.417 1.00 0.00 C ATOM 660 O GLY A 41 -1.795 1.322 -3.708 1.00 0.00 O ATOM 0 H GLY A 41 -2.420 5.619 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.296 3.108 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.729 3.821 -5.114 1.00 0.00 H new ATOM 664 N VAL A 42 -1.158 2.980 -2.327 1.00 0.00 N ATOM 665 CA VAL A 42 -0.487 2.083 -1.390 1.00 0.00 C ATOM 666 C VAL A 42 -1.498 1.367 -0.500 1.00 0.00 C ATOM 667 O VAL A 42 -1.464 0.142 -0.364 1.00 0.00 O ATOM 668 CB VAL A 42 0.527 2.831 -0.491 1.00 0.00 C ATOM 669 CG1 VAL A 42 1.675 1.915 -0.086 1.00 0.00 C ATOM 670 CG2 VAL A 42 1.060 4.077 -1.185 1.00 0.00 C ATOM 0 H VAL A 42 -1.120 3.966 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 42 0.054 1.356 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 42 0.002 3.143 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.374 2.464 0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.282 1.061 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.192 1.563 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.770 4.582 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.559 3.792 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.233 4.750 -1.411 1.00 0.00 H new ATOM 680 N TRP A 43 -2.401 2.138 0.099 1.00 0.00 N ATOM 681 CA TRP A 43 -3.424 1.576 0.977 1.00 0.00 C ATOM 682 C TRP A 43 -4.251 0.518 0.247 1.00 0.00 C ATOM 683 O TRP A 43 -4.704 -0.455 0.849 1.00 0.00 O ATOM 684 CB TRP A 43 -4.347 2.680 1.499 1.00 0.00 C ATOM 685 CG TRP A 43 -4.063 3.079 2.919 1.00 0.00 C ATOM 686 CD1 TRP A 43 -4.684 2.595 4.035 1.00 0.00 C ATOM 687 CD2 TRP A 43 -3.099 4.039 3.382 1.00 0.00 C ATOM 688 NE1 TRP A 43 -4.171 3.193 5.159 1.00 0.00 N ATOM 689 CE2 TRP A 43 -3.198 4.082 4.787 1.00 0.00 C ATOM 690 CE3 TRP A 43 -2.161 4.870 2.752 1.00 0.00 C ATOM 691 CZ2 TRP A 43 -2.399 4.915 5.567 1.00 0.00 C ATOM 692 CZ3 TRP A 43 -1.372 5.695 3.529 1.00 0.00 C ATOM 693 CH2 TRP A 43 -1.495 5.712 4.923 1.00 0.00 C ATOM 0 H TRP A 43 -2.446 3.152 -0.007 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.918 1.104 1.819 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.250 3.556 0.858 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.381 2.343 1.425 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.466 1.850 4.033 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.467 3.005 6.117 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.058 4.865 1.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.491 4.930 6.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.647 6.338 3.053 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.862 6.369 5.502 1.00 0.00 H new ATOM 704 N THR A 44 -4.445 0.721 -1.052 1.00 0.00 N ATOM 705 CA THR A 44 -5.225 -0.213 -1.860 1.00 0.00 C ATOM 706 C THR A 44 -4.436 -1.484 -2.156 1.00 0.00 C ATOM 707 O THR A 44 -4.994 -2.578 -2.145 1.00 0.00 O ATOM 708 CB THR A 44 -5.663 0.446 -3.168 1.00 0.00 C ATOM 709 OG1 THR A 44 -6.363 -0.475 -3.983 1.00 0.00 O ATOM 710 CG2 THR A 44 -4.509 0.992 -3.981 1.00 0.00 C ATOM 0 H THR A 44 -4.075 1.520 -1.567 1.00 0.00 H new ATOM 0 HA THR A 44 -6.110 -0.487 -1.286 1.00 0.00 H new ATOM 0 HB THR A 44 -6.302 1.278 -2.871 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.636 -0.034 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.891 1.446 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.977 1.744 -3.398 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.827 0.181 -4.236 1.00 0.00 H new ATOM 718 N LEU A 45 -3.140 -1.339 -2.426 1.00 0.00 N ATOM 719 CA LEU A 45 -2.297 -2.496 -2.727 1.00 0.00 C ATOM 720 C LEU A 45 -2.321 -3.511 -1.579 1.00 0.00 C ATOM 721 O LEU A 45 -2.583 -4.696 -1.797 1.00 0.00 O ATOM 722 CB LEU A 45 -0.861 -2.054 -3.034 1.00 0.00 C ATOM 723 CG LEU A 45 -0.713 -1.204 -4.299 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.749 -0.897 -4.579 1.00 0.00 C ATOM 725 CD2 LEU A 45 -1.355 -1.898 -5.492 1.00 0.00 C ATOM 0 H LEU A 45 -2.654 -0.442 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.701 -2.985 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.480 -1.487 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.235 -2.941 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.231 -0.259 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.827 -0.292 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.173 -0.349 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.296 -1.829 -4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.238 -1.277 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.871 -2.861 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.416 -2.054 -5.295 1.00 0.00 H new ATOM 736 N LYS A 46 -2.064 -3.044 -0.357 1.00 0.00 N ATOM 737 CA LYS A 46 -2.073 -3.925 0.812 1.00 0.00 C ATOM 738 C LYS A 46 -3.464 -4.525 1.017 1.00 0.00 C ATOM 739 O LYS A 46 -3.626 -5.747 1.091 1.00 0.00 O ATOM 740 CB LYS A 46 -1.635 -3.175 2.078 1.00 0.00 C ATOM 741 CG LYS A 46 -1.978 -1.691 2.082 1.00 0.00 C ATOM 742 CD LYS A 46 -2.243 -1.185 3.491 1.00 0.00 C ATOM 743 CE LYS A 46 -3.708 -1.326 3.868 1.00 0.00 C ATOM 744 NZ LYS A 46 -3.970 -0.874 5.262 1.00 0.00 N ATOM 0 H LYS A 46 -1.849 -2.069 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.360 -4.729 0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.101 -3.645 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.557 -3.286 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.158 -1.126 1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.857 -1.518 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.629 -1.741 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.947 -0.139 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.318 -0.744 3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.011 -2.367 3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.838 -1.324 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.169 -1.141 5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.086 0.159 5.276 1.00 0.00 H new ATOM 758 N ASP A 47 -4.468 -3.657 1.103 1.00 0.00 N ATOM 759 CA ASP A 47 -5.846 -4.099 1.291 1.00 0.00 C ATOM 760 C ASP A 47 -6.305 -4.960 0.120 1.00 0.00 C ATOM 761 O ASP A 47 -7.170 -5.823 0.272 1.00 0.00 O ATOM 762 CB ASP A 47 -6.771 -2.891 1.449 1.00 0.00 C ATOM 763 CG ASP A 47 -7.797 -3.088 2.549 1.00 0.00 C ATOM 764 OD1 ASP A 47 -8.815 -3.767 2.298 1.00 0.00 O ATOM 765 OD2 ASP A 47 -7.581 -2.565 3.662 1.00 0.00 O ATOM 0 H ASP A 47 -4.353 -2.645 1.046 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.890 -4.702 2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.174 -2.006 1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.285 -2.704 0.506 1.00 0.00 H new ATOM 770 N GLU A 48 -5.719 -4.720 -1.050 1.00 0.00 N ATOM 771 CA GLU A 48 -6.067 -5.475 -2.247 1.00 0.00 C ATOM 772 C GLU A 48 -5.757 -6.951 -2.053 1.00 0.00 C ATOM 773 O GLU A 48 -6.527 -7.818 -2.466 1.00 0.00 O ATOM 774 CB GLU A 48 -5.307 -4.939 -3.463 1.00 0.00 C ATOM 775 CG GLU A 48 -6.101 -3.933 -4.281 1.00 0.00 C ATOM 776 CD GLU A 48 -5.242 -3.193 -5.288 1.00 0.00 C ATOM 777 OE1 GLU A 48 -4.447 -2.327 -4.868 1.00 0.00 O ATOM 778 OE2 GLU A 48 -5.365 -3.481 -6.498 1.00 0.00 O ATOM 0 H GLU A 48 -5.002 -4.009 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.136 -5.358 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.382 -4.471 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.027 -5.775 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.905 -4.450 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.569 -3.213 -3.610 1.00 0.00 H new ATOM 785 N ILE A 49 -4.626 -7.234 -1.416 1.00 0.00 N ATOM 786 CA ILE A 49 -4.227 -8.612 -1.166 1.00 0.00 C ATOM 787 C ILE A 49 -5.124 -9.246 -0.112 1.00 0.00 C ATOM 788 O ILE A 49 -5.455 -10.429 -0.195 1.00 0.00 O ATOM 789 CB ILE A 49 -2.764 -8.725 -0.696 1.00 0.00 C ATOM 790 CG1 ILE A 49 -1.865 -7.731 -1.434 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.260 -10.145 -0.902 1.00 0.00 C ATOM 792 CD1 ILE A 49 -1.084 -6.834 -0.502 1.00 0.00 C ATOM 0 H ILE A 49 -3.974 -6.532 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.326 -9.137 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.729 -8.483 0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.169 -8.281 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.478 -7.115 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.225 -10.216 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.876 -10.837 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.317 -10.402 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.466 -6.152 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.775 -6.259 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.446 -7.443 0.139 1.00 0.00 H new ATOM 804 N LYS A 50 -5.517 -8.452 0.879 1.00 0.00 N ATOM 805 CA LYS A 50 -6.381 -8.943 1.948 1.00 0.00 C ATOM 806 C LYS A 50 -7.725 -9.405 1.392 1.00 0.00 C ATOM 807 O LYS A 50 -8.359 -10.307 1.942 1.00 0.00 O ATOM 808 CB LYS A 50 -6.598 -7.860 3.004 1.00 0.00 C ATOM 809 CG LYS A 50 -5.311 -7.206 3.485 1.00 0.00 C ATOM 810 CD LYS A 50 -4.291 -8.241 3.932 1.00 0.00 C ATOM 811 CE LYS A 50 -3.273 -7.644 4.888 1.00 0.00 C ATOM 812 NZ LYS A 50 -3.703 -7.772 6.308 1.00 0.00 N ATOM 0 H LYS A 50 -5.253 -7.471 0.965 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.886 -9.795 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.254 -7.092 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.114 -8.297 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.888 -6.600 2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.532 -6.531 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.803 -9.072 4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.778 -8.648 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.313 -8.142 4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.123 -6.591 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.874 -7.965 6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.153 -6.886 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.383 -8.554 6.396 1.00 0.00 H new ATOM 826 N THR A 51 -8.152 -8.782 0.299 1.00 0.00 N ATOM 827 CA THR A 51 -9.421 -9.127 -0.334 1.00 0.00 C ATOM 828 C THR A 51 -9.225 -10.177 -1.429 1.00 0.00 C ATOM 829 O THR A 51 -10.188 -10.790 -1.888 1.00 0.00 O ATOM 830 CB THR A 51 -10.078 -7.878 -0.921 1.00 0.00 C ATOM 831 OG1 THR A 51 -9.098 -6.927 -1.302 1.00 0.00 O ATOM 832 CG2 THR A 51 -11.031 -7.196 0.037 1.00 0.00 C ATOM 0 H THR A 51 -7.638 -8.035 -0.168 1.00 0.00 H new ATOM 0 HA THR A 51 -10.073 -9.549 0.431 1.00 0.00 H new ATOM 0 HB THR A 51 -10.645 -8.229 -1.784 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.631 -6.601 -0.504 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.462 -6.317 -0.443 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.828 -7.887 0.311 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.490 -6.892 0.933 1.00 0.00 H new ATOM 840 N PHE A 52 -7.978 -10.375 -1.846 1.00 0.00 N ATOM 841 CA PHE A 52 -7.667 -11.348 -2.888 1.00 0.00 C ATOM 842 C PHE A 52 -7.261 -12.693 -2.288 1.00 0.00 C ATOM 843 O PHE A 52 -6.586 -13.493 -2.936 1.00 0.00 O ATOM 844 CB PHE A 52 -6.548 -10.821 -3.785 1.00 0.00 C ATOM 845 CG PHE A 52 -6.843 -10.947 -5.253 1.00 0.00 C ATOM 846 CD1 PHE A 52 -6.510 -12.100 -5.945 1.00 0.00 C ATOM 847 CD2 PHE A 52 -7.452 -9.910 -5.941 1.00 0.00 C ATOM 848 CE1 PHE A 52 -6.782 -12.217 -7.295 1.00 0.00 C ATOM 849 CE2 PHE A 52 -7.727 -10.022 -7.291 1.00 0.00 C ATOM 850 CZ PHE A 52 -7.391 -11.177 -7.969 1.00 0.00 C ATOM 0 H PHE A 52 -7.168 -9.876 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.567 -11.499 -3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.367 -9.773 -3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.629 -11.362 -3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.033 -12.917 -5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.715 -9.003 -5.416 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.518 -13.122 -7.823 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.204 -9.207 -7.815 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.604 -11.267 -9.024 1.00 0.00 H new ATOM 860 N THR A 53 -7.674 -12.936 -1.050 1.00 0.00 N ATOM 861 CA THR A 53 -7.352 -14.183 -0.366 1.00 0.00 C ATOM 862 C THR A 53 -8.152 -15.345 -0.947 1.00 0.00 C ATOM 863 O THR A 53 -7.630 -16.444 -1.125 1.00 0.00 O ATOM 864 CB THR A 53 -7.629 -14.056 1.133 1.00 0.00 C ATOM 865 OG1 THR A 53 -7.390 -15.286 1.793 1.00 0.00 O ATOM 866 CG2 THR A 53 -9.048 -13.633 1.446 1.00 0.00 C ATOM 0 H THR A 53 -8.233 -12.285 -0.498 1.00 0.00 H new ATOM 0 HA THR A 53 -6.291 -14.385 -0.515 1.00 0.00 H new ATOM 0 HB THR A 53 -6.950 -13.280 1.488 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.571 -15.184 2.751 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.177 -13.562 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.247 -12.662 0.992 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.744 -14.370 1.045 1.00 0.00 H new ATOM 874 N VAL A 54 -9.424 -15.091 -1.240 1.00 0.00 N ATOM 875 CA VAL A 54 -10.297 -16.115 -1.801 1.00 0.00 C ATOM 876 C VAL A 54 -10.403 -17.319 -0.870 1.00 0.00 C ATOM 877 O VAL A 54 -9.627 -18.268 -0.974 1.00 0.00 O ATOM 878 CB VAL A 54 -9.794 -16.590 -3.178 1.00 0.00 C ATOM 879 CG1 VAL A 54 -10.820 -17.501 -3.835 1.00 0.00 C ATOM 880 CG2 VAL A 54 -9.477 -15.400 -4.070 1.00 0.00 C ATOM 0 H VAL A 54 -9.872 -14.186 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 54 -11.281 -15.661 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.876 -17.160 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.448 -17.827 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.992 -18.371 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -11.756 -16.958 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.123 -15.755 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.376 -14.800 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.704 -14.791 -3.602 1.00 0.00 H new ATOM 890 N THR A 55 -11.372 -17.272 0.039 1.00 0.00 N ATOM 891 CA THR A 55 -11.582 -18.358 0.990 1.00 0.00 C ATOM 892 C THR A 55 -13.054 -18.467 1.373 1.00 0.00 C ATOM 893 O THR A 55 -13.753 -17.459 1.489 1.00 0.00 O ATOM 894 CB THR A 55 -10.735 -18.136 2.238 1.00 0.00 C ATOM 895 OG1 THR A 55 -10.875 -16.817 2.723 1.00 0.00 O ATOM 896 CG2 THR A 55 -9.257 -18.384 2.011 1.00 0.00 C ATOM 0 H THR A 55 -12.024 -16.494 0.137 1.00 0.00 H new ATOM 0 HA THR A 55 -11.279 -19.291 0.514 1.00 0.00 H new ATOM 0 HB THR A 55 -11.107 -18.860 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.323 -16.703 3.524 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.712 -18.208 2.938 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.106 -19.415 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.889 -17.707 1.240 1.00 0.00 H new ATOM 904 N GLU A 56 -13.521 -19.696 1.570 1.00 0.00 N ATOM 905 CA GLU A 56 -14.910 -19.937 1.941 1.00 0.00 C ATOM 906 C GLU A 56 -14.998 -20.796 3.195 1.00 0.00 C ATOM 907 O GLU A 56 -14.082 -21.624 3.411 1.00 0.00 O ATOM 908 CB GLU A 56 -15.657 -20.613 0.791 1.00 0.00 C ATOM 909 CG GLU A 56 -16.187 -19.636 -0.247 1.00 0.00 C ATOM 910 CD GLU A 56 -17.383 -18.850 0.250 1.00 0.00 C ATOM 911 OE1 GLU A 56 -18.303 -19.468 0.828 1.00 0.00 O ATOM 912 OE2 GLU A 56 -17.402 -17.616 0.061 1.00 0.00 O ATOM 913 OXT GLU A 56 -15.978 -20.640 3.951 1.00 0.00 O ATOM 0 H GLU A 56 -12.957 -20.541 1.479 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.375 -18.974 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.990 -21.323 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.490 -21.187 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.393 -18.944 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.465 -20.184 -1.147 1.00 0.00 H new TER 920 GLU A 56