USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 401 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 44 ASN : amide:sc=-0.00698 X(o=-0.007,f=0) USER MOD Set 1.2: A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0264) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0763 USER MOD Single : A 9 GLN : amide:sc= 0.743 K(o=0.74,f=-0.031) USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.098) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0175) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 86:sc= 0.763 USER MOD Single : A 23 THR OG1 : rot -157:sc= 0.97 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 84:sc= 2.35 USER MOD Single : A 32 THR OG1 : rot 82:sc= 1.19 USER MOD Single : A 33 SER OG : rot -79:sc= 1.17 USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0702) USER MOD Single : A 36 SER OG : rot 75:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0162) USER MOD Single : A 40 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0.682 (180deg=0.677) USER MOD Single : A 46 MET CE :methyl 166:sc= 0 (180deg=-0.392) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -17.113 8.767 9.863 1.00 0.00 N ATOM 19 CA ALA A 2 -16.021 7.797 9.875 1.00 0.00 C ATOM 20 C ALA A 2 -16.337 6.595 8.985 1.00 0.00 C ATOM 21 O ALA A 2 -15.600 6.300 8.050 1.00 0.00 O ATOM 22 CB ALA A 2 -15.731 7.364 11.316 1.00 0.00 C ATOM 0 HA ALA A 2 -15.128 8.270 9.466 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.916 6.640 11.321 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.447 8.235 11.907 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.623 6.909 11.746 1.00 0.00 H new ATOM 28 N SER A 3 -17.470 5.933 9.230 1.00 0.00 N ATOM 29 CA SER A 3 -17.936 4.807 8.439 1.00 0.00 C ATOM 30 C SER A 3 -17.910 5.103 6.933 1.00 0.00 C ATOM 31 O SER A 3 -17.517 4.253 6.136 1.00 0.00 O ATOM 32 CB SER A 3 -19.350 4.457 8.909 1.00 0.00 C ATOM 33 OG SER A 3 -19.395 4.528 10.324 1.00 0.00 O ATOM 0 H SER A 3 -18.096 6.174 9.999 1.00 0.00 H new ATOM 0 HA SER A 3 -17.265 3.961 8.587 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.073 5.147 8.474 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.622 3.456 8.573 1.00 0.00 H new ATOM 0 HG SER A 3 -20.298 4.307 10.634 1.00 0.00 H new ATOM 39 N VAL A 4 -18.319 6.312 6.541 1.00 0.00 N ATOM 40 CA VAL A 4 -18.309 6.716 5.145 1.00 0.00 C ATOM 41 C VAL A 4 -16.862 6.885 4.682 1.00 0.00 C ATOM 42 O VAL A 4 -16.518 6.421 3.602 1.00 0.00 O ATOM 43 CB VAL A 4 -19.151 7.984 4.916 1.00 0.00 C ATOM 44 CG1 VAL A 4 -19.295 8.262 3.414 1.00 0.00 C ATOM 45 CG2 VAL A 4 -20.548 7.839 5.536 1.00 0.00 C ATOM 0 H VAL A 4 -18.662 7.028 7.181 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.775 5.937 4.541 1.00 0.00 H new ATOM 0 HB VAL A 4 -18.636 8.815 5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -19.893 9.161 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.308 8.406 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.787 7.416 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -21.121 8.749 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -21.062 6.992 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -20.454 7.672 6.609 1.00 0.00 H new ATOM 55 N LEU A 5 -15.993 7.505 5.487 1.00 0.00 N ATOM 56 CA LEU A 5 -14.574 7.585 5.145 1.00 0.00 C ATOM 57 C LEU A 5 -14.001 6.183 4.897 1.00 0.00 C ATOM 58 O LEU A 5 -13.344 5.958 3.883 1.00 0.00 O ATOM 59 CB LEU A 5 -13.760 8.333 6.212 1.00 0.00 C ATOM 60 CG LEU A 5 -14.272 9.748 6.528 1.00 0.00 C ATOM 61 CD1 LEU A 5 -13.347 10.392 7.566 1.00 0.00 C ATOM 62 CD2 LEU A 5 -14.342 10.643 5.284 1.00 0.00 C ATOM 0 H LEU A 5 -16.245 7.953 6.368 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.493 8.163 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.762 7.746 7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.724 8.401 5.879 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.287 9.653 6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.702 11.396 7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.345 9.790 8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.335 10.448 7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.710 11.630 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.348 10.737 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.018 10.199 4.554 1.00 0.00 H new ATOM 74 N GLU A 6 -14.282 5.229 5.791 1.00 0.00 N ATOM 75 CA GLU A 6 -13.879 3.841 5.605 1.00 0.00 C ATOM 76 C GLU A 6 -14.448 3.283 4.292 1.00 0.00 C ATOM 77 O GLU A 6 -13.718 2.680 3.510 1.00 0.00 O ATOM 78 CB GLU A 6 -14.294 2.976 6.806 1.00 0.00 C ATOM 79 CG GLU A 6 -13.314 3.070 7.987 1.00 0.00 C ATOM 80 CD GLU A 6 -13.380 4.397 8.739 1.00 0.00 C ATOM 81 OE1 GLU A 6 -12.662 5.330 8.318 1.00 0.00 O ATOM 82 OE2 GLU A 6 -14.134 4.443 9.735 1.00 0.00 O ATOM 0 H GLU A 6 -14.792 5.401 6.657 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.791 3.810 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.286 3.281 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.371 1.936 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.521 2.258 8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.299 2.923 7.617 1.00 0.00 H new ATOM 89 N GLU A 7 -15.744 3.483 4.040 1.00 0.00 N ATOM 90 CA GLU A 7 -16.377 3.057 2.795 1.00 0.00 C ATOM 91 C GLU A 7 -15.609 3.605 1.584 1.00 0.00 C ATOM 92 O GLU A 7 -15.262 2.866 0.663 1.00 0.00 O ATOM 93 CB GLU A 7 -17.849 3.502 2.797 1.00 0.00 C ATOM 94 CG GLU A 7 -18.650 2.985 1.598 1.00 0.00 C ATOM 95 CD GLU A 7 -18.737 1.462 1.580 1.00 0.00 C ATOM 96 OE1 GLU A 7 -19.449 0.930 2.460 1.00 0.00 O ATOM 97 OE2 GLU A 7 -18.083 0.860 0.703 1.00 0.00 O ATOM 0 H GLU A 7 -16.380 3.943 4.692 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.350 1.970 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.323 3.156 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.890 4.591 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -19.656 3.405 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.185 3.332 0.675 1.00 0.00 H new ATOM 104 N LEU A 8 -15.320 4.906 1.584 1.00 0.00 N ATOM 105 CA LEU A 8 -14.569 5.536 0.510 1.00 0.00 C ATOM 106 C LEU A 8 -13.164 4.940 0.411 1.00 0.00 C ATOM 107 O LEU A 8 -12.706 4.662 -0.691 1.00 0.00 O ATOM 108 CB LEU A 8 -14.537 7.059 0.689 1.00 0.00 C ATOM 109 CG LEU A 8 -15.929 7.709 0.587 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.796 9.211 0.855 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.581 7.497 -0.783 1.00 0.00 C ATOM 0 H LEU A 8 -15.600 5.546 2.327 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.074 5.333 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -14.103 7.296 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.883 7.494 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.571 7.232 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.777 9.681 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.389 9.368 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.128 9.654 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.560 7.976 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.951 7.934 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.697 6.429 -0.970 1.00 0.00 H new ATOM 123 N GLN A 9 -12.482 4.705 1.534 1.00 0.00 N ATOM 124 CA GLN A 9 -11.186 4.034 1.534 1.00 0.00 C ATOM 125 C GLN A 9 -11.290 2.655 0.865 1.00 0.00 C ATOM 126 O GLN A 9 -10.420 2.279 0.075 1.00 0.00 O ATOM 127 CB GLN A 9 -10.641 3.951 2.969 1.00 0.00 C ATOM 128 CG GLN A 9 -9.300 3.213 3.100 1.00 0.00 C ATOM 129 CD GLN A 9 -8.181 3.872 2.306 1.00 0.00 C ATOM 130 OE1 GLN A 9 -7.405 4.656 2.840 1.00 0.00 O ATOM 131 NE2 GLN A 9 -8.077 3.555 1.019 1.00 0.00 N ATOM 0 H GLN A 9 -12.812 4.973 2.461 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.476 4.615 0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.524 4.962 3.359 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.379 3.451 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.016 3.170 4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.422 2.184 2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.737 2.899 0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.337 3.967 0.450 1.00 0.00 H new ATOM 140 N LYS A 10 -12.350 1.903 1.170 1.00 0.00 N ATOM 141 CA LYS A 10 -12.627 0.633 0.514 1.00 0.00 C ATOM 142 C LYS A 10 -12.757 0.874 -0.996 1.00 0.00 C ATOM 143 O LYS A 10 -12.074 0.234 -1.789 1.00 0.00 O ATOM 144 CB LYS A 10 -13.883 -0.010 1.132 1.00 0.00 C ATOM 145 CG LYS A 10 -13.953 -1.538 0.995 1.00 0.00 C ATOM 146 CD LYS A 10 -13.903 -2.000 -0.467 1.00 0.00 C ATOM 147 CE LYS A 10 -14.381 -3.445 -0.641 1.00 0.00 C ATOM 148 NZ LYS A 10 -15.838 -3.563 -0.460 1.00 0.00 N ATOM 0 H LYS A 10 -13.037 2.161 1.879 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.809 -0.072 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.924 0.249 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.766 0.424 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.125 -1.987 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.873 -1.899 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.522 -1.340 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.882 -1.911 -0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.108 -3.801 -1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.872 -4.086 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.153 -4.501 -0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.074 -3.444 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.318 -2.827 -1.017 1.00 0.00 H new ATOM 162 N ASP A 11 -13.602 1.819 -1.412 1.00 0.00 N ATOM 163 CA ASP A 11 -13.802 2.096 -2.832 1.00 0.00 C ATOM 164 C ASP A 11 -12.503 2.548 -3.521 1.00 0.00 C ATOM 165 O ASP A 11 -12.254 2.216 -4.677 1.00 0.00 O ATOM 166 CB ASP A 11 -14.941 3.100 -3.020 1.00 0.00 C ATOM 167 CG ASP A 11 -15.451 3.080 -4.458 1.00 0.00 C ATOM 168 OD1 ASP A 11 -16.085 2.065 -4.819 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.217 4.083 -5.162 1.00 0.00 O ATOM 0 H ASP A 11 -14.157 2.403 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.091 1.167 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.757 2.863 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.594 4.102 -2.767 1.00 0.00 H new ATOM 174 N LEU A 12 -11.648 3.274 -2.798 1.00 0.00 N ATOM 175 CA LEU A 12 -10.315 3.674 -3.228 1.00 0.00 C ATOM 176 C LEU A 12 -9.488 2.414 -3.517 1.00 0.00 C ATOM 177 O LEU A 12 -8.868 2.284 -4.574 1.00 0.00 O ATOM 178 CB LEU A 12 -9.704 4.597 -2.161 1.00 0.00 C ATOM 179 CG LEU A 12 -8.523 5.457 -2.634 1.00 0.00 C ATOM 180 CD1 LEU A 12 -8.379 6.663 -1.697 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.212 4.668 -2.616 1.00 0.00 C ATOM 0 H LEU A 12 -11.878 3.610 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.340 4.247 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.485 5.258 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.373 3.985 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.723 5.775 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.543 7.280 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.296 7.252 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.196 6.314 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.398 5.308 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.006 4.328 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.297 3.806 -3.277 1.00 0.00 H new ATOM 193 N GLU A 13 -9.515 1.450 -2.592 1.00 0.00 N ATOM 194 CA GLU A 13 -8.917 0.144 -2.827 1.00 0.00 C ATOM 195 C GLU A 13 -9.521 -0.507 -4.081 1.00 0.00 C ATOM 196 O GLU A 13 -8.779 -1.007 -4.924 1.00 0.00 O ATOM 197 CB GLU A 13 -9.050 -0.735 -1.575 1.00 0.00 C ATOM 198 CG GLU A 13 -8.170 -1.989 -1.658 1.00 0.00 C ATOM 199 CD GLU A 13 -8.309 -2.834 -0.397 1.00 0.00 C ATOM 200 OE1 GLU A 13 -9.430 -3.342 -0.178 1.00 0.00 O ATOM 201 OE2 GLU A 13 -7.300 -2.940 0.334 1.00 0.00 O ATOM 0 H GLU A 13 -9.947 1.555 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.851 0.262 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.774 -0.156 -0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.091 -1.031 -1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.452 -2.580 -2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.128 -1.699 -1.793 1.00 0.00 H new ATOM 208 N GLU A 14 -10.853 -0.491 -4.228 1.00 0.00 N ATOM 209 CA GLU A 14 -11.501 -1.048 -5.412 1.00 0.00 C ATOM 210 C GLU A 14 -10.955 -0.420 -6.698 1.00 0.00 C ATOM 211 O GLU A 14 -10.528 -1.160 -7.583 1.00 0.00 O ATOM 212 CB GLU A 14 -13.032 -0.958 -5.347 1.00 0.00 C ATOM 213 CG GLU A 14 -13.605 -1.823 -4.218 1.00 0.00 C ATOM 214 CD GLU A 14 -15.131 -1.797 -4.211 1.00 0.00 C ATOM 215 OE1 GLU A 14 -15.713 -2.507 -5.059 1.00 0.00 O ATOM 216 OE2 GLU A 14 -15.687 -1.081 -3.351 1.00 0.00 O ATOM 0 H GLU A 14 -11.497 -0.098 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.255 -2.110 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.329 0.080 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.456 -1.276 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.258 -2.850 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.230 -1.466 -3.259 1.00 0.00 H new ATOM 223 N VAL A 15 -10.943 0.914 -6.826 1.00 0.00 N ATOM 224 CA VAL A 15 -10.399 1.528 -8.039 1.00 0.00 C ATOM 225 C VAL A 15 -8.952 1.091 -8.267 1.00 0.00 C ATOM 226 O VAL A 15 -8.609 0.751 -9.397 1.00 0.00 O ATOM 227 CB VAL A 15 -10.581 3.058 -8.112 1.00 0.00 C ATOM 228 CG1 VAL A 15 -9.916 3.827 -6.978 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.076 3.613 -9.448 1.00 0.00 C ATOM 0 H VAL A 15 -11.293 1.569 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 15 -10.999 1.152 -8.868 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.656 3.210 -8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.094 4.894 -7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.334 3.503 -6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.843 3.635 -6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.217 4.694 -9.470 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.016 3.383 -9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.634 3.157 -10.266 1.00 0.00 H new ATOM 239 N LYS A 16 -8.110 1.065 -7.225 1.00 0.00 N ATOM 240 CA LYS A 16 -6.741 0.574 -7.391 1.00 0.00 C ATOM 241 C LYS A 16 -6.734 -0.845 -7.969 1.00 0.00 C ATOM 242 O LYS A 16 -6.166 -1.089 -9.032 1.00 0.00 O ATOM 243 CB LYS A 16 -5.976 0.622 -6.064 1.00 0.00 C ATOM 244 CG LYS A 16 -5.589 2.057 -5.698 1.00 0.00 C ATOM 245 CD LYS A 16 -4.919 2.064 -4.319 1.00 0.00 C ATOM 246 CE LYS A 16 -4.317 3.438 -4.011 1.00 0.00 C ATOM 247 NZ LYS A 16 -3.066 3.668 -4.755 1.00 0.00 N ATOM 0 H LYS A 16 -8.347 1.371 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.234 1.231 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.591 0.195 -5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.078 0.008 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.910 2.465 -6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.474 2.694 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.650 1.803 -3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.138 1.305 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.038 4.215 -4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.123 3.518 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.646 4.571 -4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.399 2.894 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.269 3.701 -5.774 1.00 0.00 H new ATOM 261 N VAL A 17 -7.376 -1.781 -7.269 1.00 0.00 N ATOM 262 CA VAL A 17 -7.439 -3.180 -7.672 1.00 0.00 C ATOM 263 C VAL A 17 -7.925 -3.302 -9.122 1.00 0.00 C ATOM 264 O VAL A 17 -7.279 -3.950 -9.947 1.00 0.00 O ATOM 265 CB VAL A 17 -8.315 -3.959 -6.672 1.00 0.00 C ATOM 266 CG1 VAL A 17 -8.642 -5.374 -7.165 1.00 0.00 C ATOM 267 CG2 VAL A 17 -7.593 -4.080 -5.322 1.00 0.00 C ATOM 0 H VAL A 17 -7.870 -1.584 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.443 -3.623 -7.649 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.245 -3.400 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.261 -5.883 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.181 -5.314 -8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.717 -5.932 -7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.220 -4.632 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.650 -4.609 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.395 -3.084 -4.925 1.00 0.00 H new ATOM 277 N LEU A 18 -9.055 -2.672 -9.450 1.00 0.00 N ATOM 278 CA LEU A 18 -9.602 -2.718 -10.797 1.00 0.00 C ATOM 279 C LEU A 18 -8.623 -2.128 -11.809 1.00 0.00 C ATOM 280 O LEU A 18 -8.432 -2.723 -12.866 1.00 0.00 O ATOM 281 CB LEU A 18 -10.950 -1.993 -10.874 1.00 0.00 C ATOM 282 CG LEU A 18 -12.086 -2.704 -10.121 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.336 -1.829 -10.228 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.401 -4.088 -10.703 1.00 0.00 C ATOM 0 H LEU A 18 -9.608 -2.122 -8.793 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.764 -3.766 -11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.834 -0.987 -10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.234 -1.885 -11.921 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.774 -2.850 -9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.162 -2.308 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.138 -0.855 -9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.601 -1.700 -11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.210 -4.546 -10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.703 -3.984 -11.745 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.514 -4.718 -10.644 1.00 0.00 H new ATOM 296 N LEU A 19 -8.023 -0.974 -11.507 1.00 0.00 N ATOM 297 CA LEU A 19 -7.036 -0.322 -12.358 1.00 0.00 C ATOM 298 C LEU A 19 -5.879 -1.277 -12.653 1.00 0.00 C ATOM 299 O LEU A 19 -5.451 -1.396 -13.798 1.00 0.00 O ATOM 300 CB LEU A 19 -6.590 0.996 -11.700 1.00 0.00 C ATOM 301 CG LEU A 19 -5.412 1.709 -12.386 1.00 0.00 C ATOM 302 CD1 LEU A 19 -5.614 3.227 -12.326 1.00 0.00 C ATOM 303 CD2 LEU A 19 -4.084 1.374 -11.694 1.00 0.00 C ATOM 0 H LEU A 19 -8.216 -0.460 -10.647 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.472 -0.067 -13.324 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.441 1.677 -11.676 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.316 0.791 -10.665 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.377 1.368 -13.421 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.776 3.725 -12.814 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.540 3.491 -12.836 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.670 3.546 -11.285 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.269 1.892 -12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.126 1.693 -10.653 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.913 0.298 -11.737 1.00 0.00 H new ATOM 315 N GLU A 20 -5.379 -1.971 -11.629 1.00 0.00 N ATOM 316 CA GLU A 20 -4.311 -2.943 -11.797 1.00 0.00 C ATOM 317 C GLU A 20 -4.760 -4.105 -12.694 1.00 0.00 C ATOM 318 O GLU A 20 -4.057 -4.471 -13.633 1.00 0.00 O ATOM 319 CB GLU A 20 -3.849 -3.443 -10.421 1.00 0.00 C ATOM 320 CG GLU A 20 -3.150 -2.333 -9.622 1.00 0.00 C ATOM 321 CD GLU A 20 -2.923 -2.757 -8.175 1.00 0.00 C ATOM 322 OE1 GLU A 20 -1.960 -3.524 -7.955 1.00 0.00 O ATOM 323 OE2 GLU A 20 -3.718 -2.317 -7.317 1.00 0.00 O ATOM 0 H GLU A 20 -5.705 -1.872 -10.667 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.468 -2.462 -12.293 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.708 -3.811 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.168 -4.284 -10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.194 -2.092 -10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.755 -1.426 -9.648 1.00 0.00 H new ATOM 330 N LYS A 21 -5.906 -4.715 -12.383 1.00 0.00 N ATOM 331 CA LYS A 21 -6.325 -5.959 -13.023 1.00 0.00 C ATOM 332 C LYS A 21 -6.920 -5.757 -14.421 1.00 0.00 C ATOM 333 O LYS A 21 -6.545 -6.438 -15.376 1.00 0.00 O ATOM 334 CB LYS A 21 -7.359 -6.664 -12.134 1.00 0.00 C ATOM 335 CG LYS A 21 -6.762 -7.131 -10.801 1.00 0.00 C ATOM 336 CD LYS A 21 -7.848 -7.674 -9.862 1.00 0.00 C ATOM 337 CE LYS A 21 -8.510 -8.949 -10.397 1.00 0.00 C ATOM 338 NZ LYS A 21 -9.446 -9.516 -9.411 1.00 0.00 N ATOM 0 H LYS A 21 -6.563 -4.363 -11.687 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.428 -6.566 -13.145 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.190 -5.986 -11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.767 -7.523 -12.667 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.017 -7.905 -10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.245 -6.300 -10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.409 -7.880 -8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.610 -6.909 -9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.043 -8.725 -11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.744 -9.685 -10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.879 -10.378 -9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.931 -9.750 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.189 -8.820 -9.198 1.00 0.00 H new ATOM 352 N SER A 22 -7.881 -4.842 -14.538 1.00 0.00 N ATOM 353 CA SER A 22 -8.737 -4.654 -15.705 1.00 0.00 C ATOM 354 C SER A 22 -8.050 -3.976 -16.895 1.00 0.00 C ATOM 355 O SER A 22 -8.627 -3.072 -17.496 1.00 0.00 O ATOM 356 CB SER A 22 -9.982 -3.863 -15.273 1.00 0.00 C ATOM 357 OG SER A 22 -10.434 -4.294 -14.003 1.00 0.00 O ATOM 0 H SER A 22 -8.092 -4.183 -13.788 1.00 0.00 H new ATOM 0 HA SER A 22 -9.006 -5.646 -16.069 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.749 -2.799 -15.239 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.775 -3.993 -16.010 1.00 0.00 H new ATOM 0 HG SER A 22 -9.948 -3.812 -13.302 1.00 0.00 H new ATOM 363 N THR A 23 -6.851 -4.435 -17.260 1.00 0.00 N ATOM 364 CA THR A 23 -5.946 -3.815 -18.228 1.00 0.00 C ATOM 365 C THR A 23 -6.571 -3.493 -19.594 1.00 0.00 C ATOM 366 O THR A 23 -6.016 -2.680 -20.333 1.00 0.00 O ATOM 367 CB THR A 23 -4.695 -4.691 -18.389 1.00 0.00 C ATOM 368 OG1 THR A 23 -5.056 -6.027 -18.685 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.832 -4.680 -17.124 1.00 0.00 C ATOM 0 H THR A 23 -6.466 -5.294 -16.867 1.00 0.00 H new ATOM 0 HA THR A 23 -5.684 -2.841 -17.815 1.00 0.00 H new ATOM 0 HB THR A 23 -4.117 -4.273 -19.213 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.325 -6.628 -18.431 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.956 -5.311 -17.276 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.512 -3.660 -16.911 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.413 -5.061 -16.284 1.00 0.00 H new ATOM 377 N ARG A 24 -7.701 -4.112 -19.948 1.00 0.00 N ATOM 378 CA ARG A 24 -8.353 -3.931 -21.235 1.00 0.00 C ATOM 379 C ARG A 24 -9.004 -2.547 -21.362 1.00 0.00 C ATOM 380 O ARG A 24 -10.229 -2.440 -21.381 1.00 0.00 O ATOM 381 CB ARG A 24 -9.399 -5.039 -21.451 1.00 0.00 C ATOM 382 CG ARG A 24 -8.867 -6.476 -21.350 1.00 0.00 C ATOM 383 CD ARG A 24 -7.653 -6.728 -22.250 1.00 0.00 C ATOM 384 NE ARG A 24 -6.396 -6.479 -21.532 1.00 0.00 N ATOM 385 CZ ARG A 24 -5.170 -6.651 -22.040 1.00 0.00 C ATOM 386 NH1 ARG A 24 -5.001 -6.948 -23.333 1.00 0.00 N ATOM 387 NH2 ARG A 24 -4.118 -6.532 -21.227 1.00 0.00 N ATOM 0 H ARG A 24 -8.191 -4.762 -19.334 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.588 -3.998 -22.008 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.195 -4.912 -20.717 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.848 -4.904 -22.435 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.595 -6.685 -20.315 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.662 -7.172 -21.618 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.671 -7.757 -22.610 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.707 -6.083 -23.127 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.463 -6.149 -20.569 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.812 -7.046 -23.944 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.061 -7.077 -23.708 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.258 -6.314 -20.240 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.174 -6.659 -21.592 1.00 0.00 H new ATOM 401 N LYS A 25 -8.192 -1.490 -21.471 1.00 0.00 N ATOM 402 CA LYS A 25 -8.582 -0.118 -21.806 1.00 0.00 C ATOM 403 C LYS A 25 -9.310 0.612 -20.670 1.00 0.00 C ATOM 404 O LYS A 25 -8.964 1.748 -20.348 1.00 0.00 O ATOM 405 CB LYS A 25 -9.391 -0.083 -23.114 1.00 0.00 C ATOM 406 CG LYS A 25 -9.508 1.337 -23.682 1.00 0.00 C ATOM 407 CD LYS A 25 -10.335 1.318 -24.973 1.00 0.00 C ATOM 408 CE LYS A 25 -10.486 2.736 -25.534 1.00 0.00 C ATOM 409 NZ LYS A 25 -11.294 2.740 -26.766 1.00 0.00 N ATOM 0 H LYS A 25 -7.187 -1.575 -21.319 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.655 0.435 -21.956 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.916 -0.730 -23.851 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.388 -0.484 -22.934 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.977 1.993 -22.949 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.515 1.741 -23.882 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.853 0.678 -25.712 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.319 0.892 -24.776 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.954 3.377 -24.787 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.501 3.155 -25.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.379 3.713 -27.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.833 2.147 -27.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.241 2.363 -26.561 1.00 0.00 H new ATOM 423 N ARG A 26 -10.317 -0.026 -20.063 1.00 0.00 N ATOM 424 CA ARG A 26 -11.242 0.600 -19.121 1.00 0.00 C ATOM 425 C ARG A 26 -10.595 1.241 -17.890 1.00 0.00 C ATOM 426 O ARG A 26 -11.303 1.907 -17.135 1.00 0.00 O ATOM 427 CB ARG A 26 -12.355 -0.371 -18.712 1.00 0.00 C ATOM 428 CG ARG A 26 -11.842 -1.678 -18.088 1.00 0.00 C ATOM 429 CD ARG A 26 -12.978 -2.362 -17.319 1.00 0.00 C ATOM 430 NE ARG A 26 -13.323 -1.587 -16.121 1.00 0.00 N ATOM 431 CZ ARG A 26 -14.224 -1.920 -15.190 1.00 0.00 C ATOM 432 NH1 ARG A 26 -14.855 -3.098 -15.231 1.00 0.00 N ATOM 433 NH2 ARG A 26 -14.476 -1.036 -14.224 1.00 0.00 N ATOM 0 H ARG A 26 -10.513 -1.015 -20.219 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.670 1.436 -19.674 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.014 0.126 -18.000 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.956 -0.610 -19.589 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.466 -2.341 -18.867 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.009 -1.470 -17.417 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.853 -2.460 -17.961 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.677 -3.370 -17.034 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.826 -0.707 -15.985 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.652 -3.759 -15.981 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.539 -3.335 -14.513 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.988 -0.141 -14.212 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.157 -1.255 -13.497 1.00 0.00 H new ATOM 447 N LEU A 27 -9.289 1.056 -17.673 1.00 0.00 N ATOM 448 CA LEU A 27 -8.499 1.772 -16.678 1.00 0.00 C ATOM 449 C LEU A 27 -8.903 3.241 -16.636 1.00 0.00 C ATOM 450 O LEU A 27 -9.300 3.735 -15.585 1.00 0.00 O ATOM 451 CB LEU A 27 -7.004 1.667 -17.030 1.00 0.00 C ATOM 452 CG LEU A 27 -6.316 0.464 -16.379 1.00 0.00 C ATOM 453 CD1 LEU A 27 -7.064 -0.841 -16.630 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.884 0.331 -16.907 1.00 0.00 C ATOM 0 H LEU A 27 -8.739 0.381 -18.204 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.681 1.324 -15.701 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.896 1.598 -18.112 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.498 2.580 -16.717 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.310 0.644 -15.304 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.535 -1.662 -16.147 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.071 -0.768 -16.220 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.122 -1.027 -17.702 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.402 -0.527 -16.439 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.906 0.190 -17.988 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.324 1.236 -16.671 1.00 0.00 H new ATOM 466 N ARG A 28 -8.805 3.934 -17.775 1.00 0.00 N ATOM 467 CA ARG A 28 -9.066 5.367 -17.839 1.00 0.00 C ATOM 468 C ARG A 28 -10.481 5.670 -17.344 1.00 0.00 C ATOM 469 O ARG A 28 -10.673 6.481 -16.436 1.00 0.00 O ATOM 470 CB ARG A 28 -8.835 5.873 -19.270 1.00 0.00 C ATOM 471 CG ARG A 28 -9.019 7.395 -19.365 1.00 0.00 C ATOM 472 CD ARG A 28 -8.729 7.911 -20.778 1.00 0.00 C ATOM 473 NE ARG A 28 -7.313 7.751 -21.132 1.00 0.00 N ATOM 474 CZ ARG A 28 -6.758 8.201 -22.268 1.00 0.00 C ATOM 475 NH1 ARG A 28 -7.508 8.813 -23.191 1.00 0.00 N ATOM 476 NH2 ARG A 28 -5.447 8.040 -22.471 1.00 0.00 N ATOM 0 H ARG A 28 -8.544 3.518 -18.669 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.374 5.896 -17.183 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.829 5.606 -19.594 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.530 5.378 -19.949 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.039 7.657 -19.084 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.356 7.887 -18.654 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.347 7.373 -21.496 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.005 8.963 -20.845 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.710 7.264 -20.469 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.508 8.940 -23.034 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.080 9.153 -24.052 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.875 7.577 -21.765 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.019 8.380 -23.332 1.00 0.00 H new ATOM 490 N ASP A 29 -11.470 5.012 -17.953 1.00 0.00 N ATOM 491 CA ASP A 29 -12.883 5.208 -17.657 1.00 0.00 C ATOM 492 C ASP A 29 -13.141 4.993 -16.167 1.00 0.00 C ATOM 493 O ASP A 29 -13.672 5.866 -15.478 1.00 0.00 O ATOM 494 CB ASP A 29 -13.729 4.233 -18.492 1.00 0.00 C ATOM 495 CG ASP A 29 -13.452 4.356 -19.986 1.00 0.00 C ATOM 496 OD1 ASP A 29 -12.360 3.900 -20.392 1.00 0.00 O ATOM 497 OD2 ASP A 29 -14.327 4.902 -20.691 1.00 0.00 O ATOM 0 H ASP A 29 -11.303 4.315 -18.679 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.164 6.229 -17.914 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.525 3.212 -18.170 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.786 4.421 -18.305 1.00 0.00 H new ATOM 502 N THR A 30 -12.747 3.815 -15.683 1.00 0.00 N ATOM 503 CA THR A 30 -12.920 3.377 -14.309 1.00 0.00 C ATOM 504 C THR A 30 -12.276 4.386 -13.363 1.00 0.00 C ATOM 505 O THR A 30 -12.936 4.894 -12.460 1.00 0.00 O ATOM 506 CB THR A 30 -12.329 1.965 -14.151 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.944 1.098 -15.078 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.543 1.404 -12.743 1.00 0.00 C ATOM 0 H THR A 30 -12.282 3.118 -16.264 1.00 0.00 H new ATOM 0 HA THR A 30 -13.978 3.325 -14.054 1.00 0.00 H new ATOM 0 HB THR A 30 -11.256 2.036 -14.330 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.495 1.175 -15.946 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.109 0.406 -12.679 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.061 2.056 -12.014 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.611 1.350 -12.531 1.00 0.00 H new ATOM 516 N LEU A 31 -10.997 4.696 -13.588 1.00 0.00 N ATOM 517 CA LEU A 31 -10.236 5.631 -12.776 1.00 0.00 C ATOM 518 C LEU A 31 -10.984 6.956 -12.690 1.00 0.00 C ATOM 519 O LEU A 31 -11.306 7.410 -11.593 1.00 0.00 O ATOM 520 CB LEU A 31 -8.822 5.774 -13.364 1.00 0.00 C ATOM 521 CG LEU A 31 -7.824 6.647 -12.584 1.00 0.00 C ATOM 522 CD1 LEU A 31 -8.037 8.152 -12.795 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.787 6.298 -11.092 1.00 0.00 C ATOM 0 H LEU A 31 -10.457 4.294 -14.355 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.126 5.263 -11.756 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.394 4.776 -13.462 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.914 6.182 -14.371 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.847 6.410 -13.005 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.300 8.708 -12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.924 8.391 -13.852 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.039 8.427 -12.466 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.068 6.942 -10.586 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.776 6.448 -10.659 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.491 5.256 -10.969 1.00 0.00 H new ATOM 535 N THR A 32 -11.270 7.563 -13.844 1.00 0.00 N ATOM 536 CA THR A 32 -11.923 8.861 -13.905 1.00 0.00 C ATOM 537 C THR A 32 -13.243 8.826 -13.129 1.00 0.00 C ATOM 538 O THR A 32 -13.443 9.607 -12.196 1.00 0.00 O ATOM 539 CB THR A 32 -12.119 9.282 -15.371 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.890 9.202 -16.066 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.625 10.724 -15.474 1.00 0.00 C ATOM 0 H THR A 32 -11.054 7.165 -14.758 1.00 0.00 H new ATOM 0 HA THR A 32 -11.291 9.612 -13.431 1.00 0.00 H new ATOM 0 HB THR A 32 -12.855 8.607 -15.807 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.733 8.277 -16.347 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.753 10.991 -16.523 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.581 10.812 -14.958 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.901 11.397 -15.014 1.00 0.00 H new ATOM 549 N SER A 33 -14.149 7.924 -13.518 1.00 0.00 N ATOM 550 CA SER A 33 -15.478 7.850 -12.931 1.00 0.00 C ATOM 551 C SER A 33 -15.391 7.614 -11.421 1.00 0.00 C ATOM 552 O SER A 33 -15.918 8.400 -10.634 1.00 0.00 O ATOM 553 CB SER A 33 -16.302 6.763 -13.631 1.00 0.00 C ATOM 554 OG SER A 33 -15.643 5.513 -13.588 1.00 0.00 O ATOM 0 H SER A 33 -13.977 7.230 -14.246 1.00 0.00 H new ATOM 0 HA SER A 33 -15.986 8.803 -13.079 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.278 6.679 -13.153 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.478 7.048 -14.668 1.00 0.00 H new ATOM 0 HG SER A 33 -14.945 5.487 -14.276 1.00 0.00 H new ATOM 560 N GLU A 34 -14.729 6.528 -11.025 1.00 0.00 N ATOM 561 CA GLU A 34 -14.681 6.090 -9.641 1.00 0.00 C ATOM 562 C GLU A 34 -13.984 7.145 -8.772 1.00 0.00 C ATOM 563 O GLU A 34 -14.498 7.499 -7.713 1.00 0.00 O ATOM 564 CB GLU A 34 -14.060 4.686 -9.579 1.00 0.00 C ATOM 565 CG GLU A 34 -14.408 3.933 -8.283 1.00 0.00 C ATOM 566 CD GLU A 34 -14.042 2.445 -8.330 1.00 0.00 C ATOM 567 OE1 GLU A 34 -13.647 1.976 -9.421 1.00 0.00 O ATOM 568 OE2 GLU A 34 -14.147 1.801 -7.265 1.00 0.00 O ATOM 0 H GLU A 34 -14.209 5.927 -11.664 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.683 5.999 -9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.404 4.104 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.977 4.769 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.888 4.402 -7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.476 4.032 -8.089 1.00 0.00 H new ATOM 575 N LYS A 35 -12.853 7.703 -9.228 1.00 0.00 N ATOM 576 CA LYS A 35 -12.208 8.797 -8.510 1.00 0.00 C ATOM 577 C LYS A 35 -13.170 9.977 -8.360 1.00 0.00 C ATOM 578 O LYS A 35 -13.312 10.514 -7.262 1.00 0.00 O ATOM 579 CB LYS A 35 -10.897 9.219 -9.190 1.00 0.00 C ATOM 580 CG LYS A 35 -10.141 10.253 -8.337 1.00 0.00 C ATOM 581 CD LYS A 35 -8.843 10.744 -8.997 1.00 0.00 C ATOM 582 CE LYS A 35 -7.819 9.634 -9.265 1.00 0.00 C ATOM 583 NZ LYS A 35 -7.498 8.866 -8.050 1.00 0.00 N ATOM 0 H LYS A 35 -12.375 7.414 -10.082 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.949 8.444 -7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.267 8.343 -9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.112 9.640 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.792 11.107 -8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.905 9.813 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.089 11.232 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.386 11.499 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.209 8.959 -10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.906 10.074 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.741 8.184 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.181 9.516 -7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.345 8.355 -7.728 1.00 0.00 H new ATOM 597 N SER A 36 -13.830 10.391 -9.447 1.00 0.00 N ATOM 598 CA SER A 36 -14.781 11.494 -9.375 1.00 0.00 C ATOM 599 C SER A 36 -15.854 11.214 -8.321 1.00 0.00 C ATOM 600 O SER A 36 -16.093 12.060 -7.461 1.00 0.00 O ATOM 601 CB SER A 36 -15.396 11.784 -10.746 1.00 0.00 C ATOM 602 OG SER A 36 -14.380 12.122 -11.666 1.00 0.00 O ATOM 0 H SER A 36 -13.722 9.981 -10.375 1.00 0.00 H new ATOM 0 HA SER A 36 -14.242 12.390 -9.069 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.944 10.911 -11.101 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.114 12.601 -10.667 1.00 0.00 H new ATOM 0 HG SER A 36 -13.895 11.312 -11.929 1.00 0.00 H new ATOM 608 N LYS A 37 -16.489 10.038 -8.364 1.00 0.00 N ATOM 609 CA LYS A 37 -17.464 9.631 -7.358 1.00 0.00 C ATOM 610 C LYS A 37 -16.873 9.747 -5.949 1.00 0.00 C ATOM 611 O LYS A 37 -17.446 10.439 -5.107 1.00 0.00 O ATOM 612 CB LYS A 37 -17.967 8.206 -7.632 1.00 0.00 C ATOM 613 CG LYS A 37 -18.804 8.083 -8.914 1.00 0.00 C ATOM 614 CD LYS A 37 -20.181 8.752 -8.777 1.00 0.00 C ATOM 615 CE LYS A 37 -21.087 8.419 -9.970 1.00 0.00 C ATOM 616 NZ LYS A 37 -20.530 8.919 -11.240 1.00 0.00 N ATOM 0 H LYS A 37 -16.339 9.346 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.318 10.305 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.111 7.535 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.565 7.872 -6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.263 8.537 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.937 7.029 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.657 8.422 -7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.057 9.832 -8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.222 7.339 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -22.073 8.855 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.196 8.719 -12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.377 9.945 -11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.624 8.446 -11.432 1.00 0.00 H new ATOM 630 N ILE A 38 -15.725 9.106 -5.700 1.00 0.00 N ATOM 631 CA ILE A 38 -15.057 9.158 -4.402 1.00 0.00 C ATOM 632 C ILE A 38 -14.918 10.611 -3.946 1.00 0.00 C ATOM 633 O ILE A 38 -15.405 10.973 -2.877 1.00 0.00 O ATOM 634 CB ILE A 38 -13.695 8.432 -4.444 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.904 6.911 -4.566 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.864 8.736 -3.184 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.632 6.178 -5.009 1.00 0.00 C ATOM 0 H ILE A 38 -15.237 8.539 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.669 8.631 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.151 8.796 -5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.232 6.514 -3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.702 6.713 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.910 8.211 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.684 9.809 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.408 8.403 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.834 5.109 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.317 6.553 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.840 6.351 -4.280 1.00 0.00 H new ATOM 649 N GLU A 39 -14.258 11.447 -4.750 1.00 0.00 N ATOM 650 CA GLU A 39 -13.991 12.832 -4.393 1.00 0.00 C ATOM 651 C GLU A 39 -15.289 13.612 -4.161 1.00 0.00 C ATOM 652 O GLU A 39 -15.391 14.370 -3.198 1.00 0.00 O ATOM 653 CB GLU A 39 -13.116 13.482 -5.472 1.00 0.00 C ATOM 654 CG GLU A 39 -11.703 12.876 -5.496 1.00 0.00 C ATOM 655 CD GLU A 39 -10.965 13.044 -4.170 1.00 0.00 C ATOM 656 OE1 GLU A 39 -10.961 14.186 -3.659 1.00 0.00 O ATOM 657 OE2 GLU A 39 -10.429 12.024 -3.685 1.00 0.00 O ATOM 0 H GLU A 39 -13.896 11.178 -5.665 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.446 12.854 -3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.584 13.353 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.049 14.555 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.772 11.815 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.124 13.346 -6.291 1.00 0.00 H new ATOM 664 N THR A 40 -16.282 13.416 -5.030 1.00 0.00 N ATOM 665 CA THR A 40 -17.592 14.034 -4.893 1.00 0.00 C ATOM 666 C THR A 40 -18.178 13.693 -3.522 1.00 0.00 C ATOM 667 O THR A 40 -18.514 14.594 -2.759 1.00 0.00 O ATOM 668 CB THR A 40 -18.500 13.600 -6.054 1.00 0.00 C ATOM 669 OG1 THR A 40 -17.932 14.034 -7.270 1.00 0.00 O ATOM 670 CG2 THR A 40 -19.903 14.199 -5.963 1.00 0.00 C ATOM 0 H THR A 40 -16.194 12.819 -5.852 1.00 0.00 H new ATOM 0 HA THR A 40 -17.506 15.119 -4.947 1.00 0.00 H new ATOM 0 HB THR A 40 -18.584 12.514 -6.002 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.310 13.353 -7.602 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.500 13.858 -6.809 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.375 13.880 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.836 15.287 -5.981 1.00 0.00 H new ATOM 678 N GLU A 41 -18.280 12.403 -3.192 1.00 0.00 N ATOM 679 CA GLU A 41 -18.796 11.954 -1.905 1.00 0.00 C ATOM 680 C GLU A 41 -17.986 12.569 -0.755 1.00 0.00 C ATOM 681 O GLU A 41 -18.549 13.173 0.158 1.00 0.00 O ATOM 682 CB GLU A 41 -18.761 10.421 -1.850 1.00 0.00 C ATOM 683 CG GLU A 41 -19.764 9.787 -2.823 1.00 0.00 C ATOM 684 CD GLU A 41 -19.578 8.274 -2.893 1.00 0.00 C ATOM 685 OE1 GLU A 41 -20.036 7.607 -1.940 1.00 0.00 O ATOM 686 OE2 GLU A 41 -18.971 7.816 -3.884 1.00 0.00 O ATOM 0 H GLU A 41 -18.006 11.642 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.828 12.285 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.756 10.073 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.982 10.090 -0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.781 10.017 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.636 10.219 -3.816 1.00 0.00 H new ATOM 693 N LEU A 42 -16.662 12.407 -0.814 1.00 0.00 N ATOM 694 CA LEU A 42 -15.715 12.894 0.179 1.00 0.00 C ATOM 695 C LEU A 42 -15.991 14.367 0.497 1.00 0.00 C ATOM 696 O LEU A 42 -16.278 14.730 1.640 1.00 0.00 O ATOM 697 CB LEU A 42 -14.290 12.683 -0.369 1.00 0.00 C ATOM 698 CG LEU A 42 -13.170 12.870 0.662 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.077 11.647 1.583 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.833 13.040 -0.068 1.00 0.00 C ATOM 0 H LEU A 42 -16.209 11.915 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.821 12.342 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.220 11.677 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.126 13.378 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.391 13.753 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.277 11.797 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.023 11.514 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.865 10.759 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.034 13.173 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.631 12.153 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.881 13.915 -0.717 1.00 0.00 H new ATOM 712 N LYS A 43 -15.924 15.222 -0.524 1.00 0.00 N ATOM 713 CA LYS A 43 -16.089 16.654 -0.344 1.00 0.00 C ATOM 714 C LYS A 43 -17.537 16.996 0.019 1.00 0.00 C ATOM 715 O LYS A 43 -17.779 17.928 0.790 1.00 0.00 O ATOM 716 CB LYS A 43 -15.656 17.397 -1.617 1.00 0.00 C ATOM 717 CG LYS A 43 -14.197 17.163 -2.048 1.00 0.00 C ATOM 718 CD LYS A 43 -13.170 18.118 -1.414 1.00 0.00 C ATOM 719 CE LYS A 43 -12.946 17.946 0.094 1.00 0.00 C ATOM 720 NZ LYS A 43 -12.697 16.539 0.456 1.00 0.00 N ATOM 0 H LYS A 43 -15.755 14.939 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.454 16.976 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.312 17.097 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.806 18.466 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.920 16.139 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.135 17.255 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.215 17.985 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.490 19.143 -1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.099 18.557 0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.819 18.311 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.467 16.476 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.548 15.974 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.900 16.172 -0.103 1.00 0.00 H new ATOM 734 N ASN A 44 -18.508 16.270 -0.542 1.00 0.00 N ATOM 735 CA ASN A 44 -19.919 16.435 -0.213 1.00 0.00 C ATOM 736 C ASN A 44 -20.153 16.242 1.286 1.00 0.00 C ATOM 737 O ASN A 44 -20.950 16.964 1.881 1.00 0.00 O ATOM 738 CB ASN A 44 -20.790 15.485 -1.040 1.00 0.00 C ATOM 739 CG ASN A 44 -22.217 15.436 -0.507 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.019 16.327 -0.762 1.00 0.00 O ATOM 741 ND2 ASN A 44 -22.534 14.387 0.249 1.00 0.00 N ATOM 0 H ASN A 44 -18.332 15.548 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.210 17.454 -0.467 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -20.799 15.810 -2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.358 14.484 -1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -23.473 14.304 0.639 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -21.838 13.666 0.438 1.00 0.00 H new ATOM 748 N LYS A 45 -19.470 15.277 1.906 1.00 0.00 N ATOM 749 CA LYS A 45 -19.506 15.146 3.355 1.00 0.00 C ATOM 750 C LYS A 45 -18.720 16.278 4.025 1.00 0.00 C ATOM 751 O LYS A 45 -19.257 16.955 4.898 1.00 0.00 O ATOM 752 CB LYS A 45 -19.011 13.761 3.793 1.00 0.00 C ATOM 753 CG LYS A 45 -19.877 12.606 3.265 1.00 0.00 C ATOM 754 CD LYS A 45 -21.353 12.741 3.670 1.00 0.00 C ATOM 755 CE LYS A 45 -22.140 11.453 3.401 1.00 0.00 C ATOM 756 NZ LYS A 45 -22.109 11.069 1.979 1.00 0.00 N ATOM 0 H LYS A 45 -18.893 14.584 1.429 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.541 15.235 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.986 13.624 3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.988 13.719 4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.804 12.570 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.485 11.661 3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.417 12.991 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.807 13.565 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.726 10.644 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.174 11.589 3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.748 10.264 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.416 11.873 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.140 10.799 1.713 1.00 0.00 H new ATOM 770 N MET A 46 -17.451 16.480 3.650 1.00 0.00 N ATOM 771 CA MET A 46 -16.583 17.413 4.367 1.00 0.00 C ATOM 772 C MET A 46 -17.062 18.865 4.273 1.00 0.00 C ATOM 773 O MET A 46 -17.320 19.497 5.294 1.00 0.00 O ATOM 774 CB MET A 46 -15.140 17.309 3.860 1.00 0.00 C ATOM 775 CG MET A 46 -14.504 15.973 4.240 1.00 0.00 C ATOM 776 SD MET A 46 -12.795 15.791 3.681 1.00 0.00 S ATOM 777 CE MET A 46 -12.576 14.055 4.092 1.00 0.00 C ATOM 0 H MET A 46 -17.008 16.012 2.859 1.00 0.00 H new ATOM 0 HA MET A 46 -16.625 17.125 5.417 1.00 0.00 H new ATOM 0 HB2 MET A 46 -15.126 17.424 2.776 1.00 0.00 H new ATOM 0 HB3 MET A 46 -14.548 18.125 4.275 1.00 0.00 H new ATOM 0 HG2 MET A 46 -14.535 15.862 5.324 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.102 15.164 3.819 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.677 13.676 3.605 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.476 13.947 5.172 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.441 13.488 3.749 1.00 0.00 H new