USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 420 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: X 8 ASN : amide:sc= -3.73! C(o=-3.7!,f=-10!) USER MOD Set 1.2: X 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: X 33 TYR OH : rot -134:sc= 1.15 USER MOD Set 2.2: X 37 ASN :FLIP amide:sc= -6.75! C(o=-8.1!,f=-5.6!) USER MOD Set 3.1: X 1 MET CE :methyl 171:sc= -2.44! (180deg=-0.335) USER MOD Set 3.2: X 3 TYR OH : rot 45:sc= -1.79! USER MOD Set 3.3: X 50 LYS NZ :NH3+ 164:sc= -0.189! (180deg=-0.284!) USER MOD Single : X 1 MET N :NH3+ -130:sc= 0.109 (180deg=0) USER MOD Single : X 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 4 LYS NZ :NH3+ 173:sc= -0.998 (180deg=-1.23) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ -172:sc= -17.5! (180deg=-17.9!) USER MOD Single : X 16 THR OG1 : rot 57:sc= -1.9 USER MOD Single : X 17 THR OG1 : rot 180:sc= -0.15 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot 180:sc= 0 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 32 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.24) USER MOD Single : X 35 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.289 USER MOD Single : X 45 TYR OH : rot -149:sc= -0.258 USER MOD Single : X 49 THR OG1 : rot -103:sc= 0.318 USER MOD Single : X 51 THR OG1 : rot 76:sc= 1.19 USER MOD Single : X 53 THR OG1 : rot 180:sc= -2.97! USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 25.744 -11.594 -3.131 1.00 0.00 N ATOM 2 CA MET X 1 26.504 -10.436 -3.692 1.00 0.00 C ATOM 3 C MET X 1 25.583 -9.659 -4.648 1.00 0.00 C ATOM 4 O MET X 1 24.394 -9.961 -4.748 1.00 0.00 O ATOM 5 CB MET X 1 27.795 -10.961 -4.387 1.00 0.00 C ATOM 6 CG MET X 1 27.619 -11.073 -5.914 1.00 0.00 C ATOM 7 SD MET X 1 28.848 -12.216 -6.572 1.00 0.00 S ATOM 8 CE MET X 1 27.889 -13.724 -6.307 1.00 0.00 C ATOM 0 H1 MET X 1 25.843 -11.605 -2.096 1.00 0.00 H new ATOM 0 H2 MET X 1 24.739 -11.504 -3.382 1.00 0.00 H new ATOM 0 H3 MET X 1 26.121 -12.480 -3.524 1.00 0.00 H new ATOM 0 HA MET X 1 26.819 -9.748 -2.907 1.00 0.00 H new ATOM 0 HB2 MET X 1 28.625 -10.291 -4.165 1.00 0.00 H new ATOM 0 HB3 MET X 1 28.056 -11.937 -3.979 1.00 0.00 H new ATOM 0 HG2 MET X 1 26.615 -11.424 -6.151 1.00 0.00 H new ATOM 0 HG3 MET X 1 27.732 -10.093 -6.378 1.00 0.00 H new ATOM 0 HE1 MET X 1 28.390 -14.563 -6.790 1.00 0.00 H new ATOM 0 HE2 MET X 1 27.805 -13.918 -5.238 1.00 0.00 H new ATOM 0 HE3 MET X 1 26.893 -13.602 -6.733 1.00 0.00 H new ATOM 20 N GLN X 2 26.129 -8.648 -5.333 1.00 0.00 N ATOM 21 CA GLN X 2 25.340 -7.829 -6.257 1.00 0.00 C ATOM 22 C GLN X 2 25.988 -7.760 -7.636 1.00 0.00 C ATOM 23 O GLN X 2 27.202 -7.587 -7.759 1.00 0.00 O ATOM 24 CB GLN X 2 25.205 -6.410 -5.698 1.00 0.00 C ATOM 25 CG GLN X 2 24.305 -6.429 -4.462 1.00 0.00 C ATOM 26 CD GLN X 2 24.146 -5.008 -3.907 1.00 0.00 C ATOM 27 OE1 GLN X 2 25.113 -4.421 -3.423 1.00 0.00 O ATOM 28 NE2 GLN X 2 22.976 -4.415 -3.951 1.00 0.00 N ATOM 0 H GLN X 2 27.110 -8.379 -5.265 1.00 0.00 H new ATOM 0 HA GLN X 2 24.359 -8.292 -6.360 1.00 0.00 H new ATOM 0 HB2 GLN X 2 26.187 -6.015 -5.439 1.00 0.00 H new ATOM 0 HB3 GLN X 2 24.785 -5.748 -6.456 1.00 0.00 H new ATOM 0 HG2 GLN X 2 23.328 -6.839 -4.719 1.00 0.00 H new ATOM 0 HG3 GLN X 2 24.733 -7.080 -3.700 1.00 0.00 H new ATOM 0 HE21 GLN X 2 22.173 -4.900 -4.352 1.00 0.00 H new ATOM 0 HE22 GLN X 2 22.870 -3.469 -3.584 1.00 0.00 H new ATOM 37 N TYR X 3 25.157 -7.875 -8.671 1.00 0.00 N ATOM 38 CA TYR X 3 25.619 -7.802 -10.054 1.00 0.00 C ATOM 39 C TYR X 3 24.983 -6.598 -10.723 1.00 0.00 C ATOM 40 O TYR X 3 23.809 -6.314 -10.495 1.00 0.00 O ATOM 41 CB TYR X 3 25.212 -9.063 -10.810 1.00 0.00 C ATOM 42 CG TYR X 3 25.994 -10.243 -10.289 1.00 0.00 C ATOM 43 CD1 TYR X 3 27.378 -10.304 -10.488 1.00 0.00 C ATOM 44 CD2 TYR X 3 25.336 -11.287 -9.623 1.00 0.00 C ATOM 45 CE1 TYR X 3 28.103 -11.404 -10.019 1.00 0.00 C ATOM 46 CE2 TYR X 3 26.062 -12.387 -9.157 1.00 0.00 C ATOM 47 CZ TYR X 3 27.448 -12.446 -9.355 1.00 0.00 C ATOM 48 OH TYR X 3 28.164 -13.533 -8.899 1.00 0.00 O ATOM 0 H TYR X 3 24.152 -8.020 -8.575 1.00 0.00 H new ATOM 0 HA TYR X 3 26.705 -7.712 -10.066 1.00 0.00 H new ATOM 0 HB2 TYR X 3 24.143 -9.241 -10.690 1.00 0.00 H new ATOM 0 HB3 TYR X 3 25.396 -8.935 -11.877 1.00 0.00 H new ATOM 0 HD1 TYR X 3 27.886 -9.502 -11.003 1.00 0.00 H new ATOM 0 HD2 TYR X 3 24.268 -11.241 -9.470 1.00 0.00 H new ATOM 0 HE1 TYR X 3 29.171 -11.449 -10.170 1.00 0.00 H new ATOM 0 HE2 TYR X 3 25.555 -13.191 -8.645 1.00 0.00 H new ATOM 0 HH TYR X 3 28.979 -13.223 -8.451 1.00 0.00 H new ATOM 58 N LYS X 4 25.755 -5.882 -11.536 1.00 0.00 N ATOM 59 CA LYS X 4 25.242 -4.688 -12.222 1.00 0.00 C ATOM 60 C LYS X 4 25.354 -4.839 -13.735 1.00 0.00 C ATOM 61 O LYS X 4 26.425 -5.135 -14.263 1.00 0.00 O ATOM 62 CB LYS X 4 26.044 -3.460 -11.774 1.00 0.00 C ATOM 63 CG LYS X 4 25.350 -2.177 -12.247 1.00 0.00 C ATOM 64 CD LYS X 4 26.149 -0.961 -11.759 1.00 0.00 C ATOM 65 CE LYS X 4 25.598 0.314 -12.401 1.00 0.00 C ATOM 66 NZ LYS X 4 24.311 0.682 -11.750 1.00 0.00 N ATOM 0 H LYS X 4 26.731 -6.101 -11.738 1.00 0.00 H new ATOM 0 HA LYS X 4 24.191 -4.565 -11.962 1.00 0.00 H new ATOM 0 HB2 LYS X 4 26.137 -3.453 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS X 4 27.054 -3.507 -12.180 1.00 0.00 H new ATOM 0 HG2 LYS X 4 25.279 -2.168 -13.335 1.00 0.00 H new ATOM 0 HG3 LYS X 4 24.332 -2.137 -11.861 1.00 0.00 H new ATOM 0 HD2 LYS X 4 26.089 -0.887 -10.673 1.00 0.00 H new ATOM 0 HD3 LYS X 4 27.202 -1.081 -12.013 1.00 0.00 H new ATOM 0 HE2 LYS X 4 26.317 1.127 -12.295 1.00 0.00 H new ATOM 0 HE3 LYS X 4 25.446 0.160 -13.469 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 23.996 1.609 -12.102 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 23.592 -0.035 -11.973 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 24.444 0.730 -10.720 1.00 0.00 H new ATOM 80 N LEU X 5 24.237 -4.616 -14.436 1.00 0.00 N ATOM 81 CA LEU X 5 24.216 -4.709 -15.901 1.00 0.00 C ATOM 82 C LEU X 5 24.172 -3.300 -16.502 1.00 0.00 C ATOM 83 O LEU X 5 23.316 -2.495 -16.136 1.00 0.00 O ATOM 84 CB LEU X 5 22.967 -5.504 -16.345 1.00 0.00 C ATOM 85 CG LEU X 5 23.205 -6.330 -17.638 1.00 0.00 C ATOM 86 CD1 LEU X 5 21.844 -6.684 -18.253 1.00 0.00 C ATOM 87 CD2 LEU X 5 24.031 -5.558 -18.690 1.00 0.00 C ATOM 0 H LEU X 5 23.340 -4.371 -14.016 1.00 0.00 H new ATOM 0 HA LEU X 5 25.114 -5.220 -16.249 1.00 0.00 H new ATOM 0 HB2 LEU X 5 22.665 -6.176 -15.541 1.00 0.00 H new ATOM 0 HB3 LEU X 5 22.141 -4.812 -16.509 1.00 0.00 H new ATOM 0 HG LEU X 5 23.767 -7.222 -17.361 1.00 0.00 H new ATOM 0 HD11 LEU X 5 21.996 -7.265 -19.163 1.00 0.00 H new ATOM 0 HD12 LEU X 5 21.264 -7.271 -17.540 1.00 0.00 H new ATOM 0 HD13 LEU X 5 21.304 -5.768 -18.493 1.00 0.00 H new ATOM 0 HD21 LEU X 5 24.168 -6.181 -19.574 1.00 0.00 H new ATOM 0 HD22 LEU X 5 23.504 -4.645 -18.968 1.00 0.00 H new ATOM 0 HD23 LEU X 5 25.005 -5.302 -18.272 1.00 0.00 H new ATOM 99 N ILE X 6 25.072 -3.010 -17.442 1.00 0.00 N ATOM 100 CA ILE X 6 25.086 -1.695 -18.093 1.00 0.00 C ATOM 101 C ILE X 6 24.427 -1.794 -19.456 1.00 0.00 C ATOM 102 O ILE X 6 24.752 -2.671 -20.256 1.00 0.00 O ATOM 103 CB ILE X 6 26.517 -1.191 -18.273 1.00 0.00 C ATOM 104 CG1 ILE X 6 27.263 -1.243 -16.932 1.00 0.00 C ATOM 105 CG2 ILE X 6 26.483 0.246 -18.790 1.00 0.00 C ATOM 106 CD1 ILE X 6 26.463 -0.520 -15.843 1.00 0.00 C ATOM 0 H ILE X 6 25.792 -3.655 -17.768 1.00 0.00 H new ATOM 0 HA ILE X 6 24.541 -0.996 -17.459 1.00 0.00 H new ATOM 0 HB ILE X 6 27.037 -1.825 -18.991 1.00 0.00 H new ATOM 0 HG12 ILE X 6 27.428 -2.280 -16.641 1.00 0.00 H new ATOM 0 HG13 ILE X 6 28.245 -0.781 -17.037 1.00 0.00 H new ATOM 0 HG21 ILE X 6 27.502 0.610 -18.920 1.00 0.00 H new ATOM 0 HG22 ILE X 6 25.962 0.276 -19.747 1.00 0.00 H new ATOM 0 HG23 ILE X 6 25.961 0.879 -18.072 1.00 0.00 H new ATOM 0 HD11 ILE X 6 27.007 -0.567 -14.900 1.00 0.00 H new ATOM 0 HD12 ILE X 6 26.320 0.522 -16.128 1.00 0.00 H new ATOM 0 HD13 ILE X 6 25.492 -1.000 -15.726 1.00 0.00 H new ATOM 118 N LEU X 7 23.490 -0.890 -19.710 1.00 0.00 N ATOM 119 CA LEU X 7 22.771 -0.878 -20.980 1.00 0.00 C ATOM 120 C LEU X 7 23.445 0.061 -21.974 1.00 0.00 C ATOM 121 O LEU X 7 23.385 1.282 -21.834 1.00 0.00 O ATOM 122 CB LEU X 7 21.317 -0.414 -20.771 1.00 0.00 C ATOM 123 CG LEU X 7 20.432 -1.559 -20.226 1.00 0.00 C ATOM 124 CD1 LEU X 7 20.487 -1.605 -18.692 1.00 0.00 C ATOM 125 CD2 LEU X 7 18.983 -1.329 -20.662 1.00 0.00 C ATOM 0 H LEU X 7 23.210 -0.158 -19.057 1.00 0.00 H new ATOM 0 HA LEU X 7 22.781 -1.894 -21.375 1.00 0.00 H new ATOM 0 HB2 LEU X 7 21.298 0.425 -20.076 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.909 -0.055 -21.716 1.00 0.00 H new ATOM 0 HG LEU X 7 20.804 -2.504 -20.623 1.00 0.00 H new ATOM 0 HD11 LEU X 7 19.857 -2.418 -18.330 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.515 -1.771 -18.370 1.00 0.00 H new ATOM 0 HD13 LEU X 7 20.128 -0.659 -18.287 1.00 0.00 H new ATOM 0 HD21 LEU X 7 18.356 -2.134 -20.280 1.00 0.00 H new ATOM 0 HD22 LEU X 7 18.631 -0.376 -20.267 1.00 0.00 H new ATOM 0 HD23 LEU X 7 18.929 -1.313 -21.751 1.00 0.00 H new ATOM 137 N ASN X 8 24.053 -0.523 -22.999 1.00 0.00 N ATOM 138 CA ASN X 8 24.702 0.245 -24.048 1.00 0.00 C ATOM 139 C ASN X 8 24.310 -0.343 -25.394 1.00 0.00 C ATOM 140 O ASN X 8 25.001 -1.210 -25.926 1.00 0.00 O ATOM 141 CB ASN X 8 26.217 0.189 -23.872 1.00 0.00 C ATOM 142 CG ASN X 8 26.659 -1.240 -23.574 1.00 0.00 C ATOM 143 OD1 ASN X 8 25.990 -1.957 -22.829 1.00 0.00 O ATOM 144 ND2 ASN X 8 27.757 -1.697 -24.111 1.00 0.00 N ATOM 0 H ASN X 8 24.109 -1.534 -23.124 1.00 0.00 H new ATOM 0 HA ASN X 8 24.387 1.287 -23.995 1.00 0.00 H new ATOM 0 HB2 ASN X 8 26.709 0.549 -24.776 1.00 0.00 H new ATOM 0 HB3 ASN X 8 26.521 0.849 -23.059 1.00 0.00 H new ATOM 0 HD21 ASN X 8 28.063 -2.650 -23.914 1.00 0.00 H new ATOM 0 HD22 ASN X 8 28.309 -1.101 -24.728 1.00 0.00 H new ATOM 151 N GLY X 9 23.185 0.124 -25.937 1.00 0.00 N ATOM 152 CA GLY X 9 22.691 -0.372 -27.223 1.00 0.00 C ATOM 153 C GLY X 9 22.538 0.752 -28.232 1.00 0.00 C ATOM 154 O GLY X 9 23.318 1.703 -28.246 1.00 0.00 O ATOM 0 H GLY X 9 22.601 0.842 -25.509 1.00 0.00 H new ATOM 0 HA2 GLY X 9 23.379 -1.122 -27.614 1.00 0.00 H new ATOM 0 HA3 GLY X 9 21.730 -0.866 -27.079 1.00 0.00 H new ATOM 158 N LYS X 10 21.527 0.628 -29.087 1.00 0.00 N ATOM 159 CA LYS X 10 21.280 1.633 -30.114 1.00 0.00 C ATOM 160 C LYS X 10 20.529 2.848 -29.546 1.00 0.00 C ATOM 161 O LYS X 10 20.938 3.985 -29.780 1.00 0.00 O ATOM 162 CB LYS X 10 20.491 1.007 -31.273 1.00 0.00 C ATOM 163 CG LYS X 10 21.152 -0.318 -31.675 1.00 0.00 C ATOM 164 CD LYS X 10 20.491 -0.877 -32.942 1.00 0.00 C ATOM 165 CE LYS X 10 19.165 -1.560 -32.588 1.00 0.00 C ATOM 166 NZ LYS X 10 18.625 -2.249 -33.794 1.00 0.00 N ATOM 0 H LYS X 10 20.870 -0.153 -29.089 1.00 0.00 H new ATOM 0 HA LYS X 10 22.243 1.987 -30.483 1.00 0.00 H new ATOM 0 HB2 LYS X 10 19.457 0.835 -30.974 1.00 0.00 H new ATOM 0 HB3 LYS X 10 20.468 1.689 -32.123 1.00 0.00 H new ATOM 0 HG2 LYS X 10 22.217 -0.163 -31.849 1.00 0.00 H new ATOM 0 HG3 LYS X 10 21.064 -1.038 -30.862 1.00 0.00 H new ATOM 0 HD2 LYS X 10 20.315 -0.072 -33.655 1.00 0.00 H new ATOM 0 HD3 LYS X 10 21.159 -1.590 -33.425 1.00 0.00 H new ATOM 0 HE2 LYS X 10 19.317 -2.279 -31.783 1.00 0.00 H new ATOM 0 HE3 LYS X 10 18.449 -0.822 -32.226 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 17.725 -2.713 -33.555 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 18.466 -1.552 -34.550 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 19.307 -2.963 -34.120 1.00 0.00 H new ATOM 180 N THR X 11 19.426 2.618 -28.814 1.00 0.00 N ATOM 181 CA THR X 11 18.641 3.726 -28.246 1.00 0.00 C ATOM 182 C THR X 11 18.357 3.530 -26.752 1.00 0.00 C ATOM 183 O THR X 11 18.021 4.486 -26.054 1.00 0.00 O ATOM 184 CB THR X 11 17.316 3.860 -29.007 1.00 0.00 C ATOM 185 OG1 THR X 11 16.640 2.610 -29.000 1.00 0.00 O ATOM 186 CG2 THR X 11 17.594 4.283 -30.451 1.00 0.00 C ATOM 0 H THR X 11 19.062 1.689 -28.604 1.00 0.00 H new ATOM 0 HA THR X 11 19.232 4.636 -28.352 1.00 0.00 H new ATOM 0 HB THR X 11 16.694 4.614 -28.524 1.00 0.00 H new ATOM 0 HG1 THR X 11 15.792 2.694 -29.484 1.00 0.00 H new ATOM 0 HG21 THR X 11 16.651 4.378 -30.990 1.00 0.00 H new ATOM 0 HG22 THR X 11 18.113 5.242 -30.456 1.00 0.00 H new ATOM 0 HG23 THR X 11 18.216 3.531 -30.937 1.00 0.00 H new ATOM 194 N LEU X 12 18.469 2.291 -26.262 1.00 0.00 N ATOM 195 CA LEU X 12 18.196 2.004 -24.856 1.00 0.00 C ATOM 196 C LEU X 12 19.481 2.070 -24.020 1.00 0.00 C ATOM 197 O LEU X 12 20.417 1.303 -24.247 1.00 0.00 O ATOM 198 CB LEU X 12 17.562 0.601 -24.747 1.00 0.00 C ATOM 199 CG LEU X 12 16.516 0.550 -23.619 1.00 0.00 C ATOM 200 CD1 LEU X 12 16.096 -0.910 -23.383 1.00 0.00 C ATOM 201 CD2 LEU X 12 17.111 1.130 -22.324 1.00 0.00 C ATOM 0 H LEU X 12 18.745 1.479 -26.815 1.00 0.00 H new ATOM 0 HA LEU X 12 17.508 2.755 -24.467 1.00 0.00 H new ATOM 0 HB2 LEU X 12 17.092 0.336 -25.694 1.00 0.00 H new ATOM 0 HB3 LEU X 12 18.340 -0.139 -24.559 1.00 0.00 H new ATOM 0 HG LEU X 12 15.647 1.141 -23.906 1.00 0.00 H new ATOM 0 HD11 LEU X 12 15.355 -0.951 -22.585 1.00 0.00 H new ATOM 0 HD12 LEU X 12 15.666 -1.317 -24.298 1.00 0.00 H new ATOM 0 HD13 LEU X 12 16.969 -1.498 -23.099 1.00 0.00 H new ATOM 0 HD21 LEU X 12 16.364 1.090 -21.531 1.00 0.00 H new ATOM 0 HD22 LEU X 12 17.983 0.546 -22.031 1.00 0.00 H new ATOM 0 HD23 LEU X 12 17.407 2.165 -22.492 1.00 0.00 H new ATOM 213 N LYS X 13 19.513 2.977 -23.041 1.00 0.00 N ATOM 214 CA LYS X 13 20.686 3.119 -22.169 1.00 0.00 C ATOM 215 C LYS X 13 20.249 3.400 -20.732 1.00 0.00 C ATOM 216 O LYS X 13 19.315 4.165 -20.492 1.00 0.00 O ATOM 217 CB LYS X 13 21.593 4.266 -22.662 1.00 0.00 C ATOM 218 CG LYS X 13 22.391 3.847 -23.929 1.00 0.00 C ATOM 219 CD LYS X 13 21.679 4.340 -25.208 1.00 0.00 C ATOM 220 CE LYS X 13 22.034 3.430 -26.390 1.00 0.00 C ATOM 221 NZ LYS X 13 21.202 2.196 -26.326 1.00 0.00 N ATOM 0 H LYS X 13 18.749 3.620 -22.832 1.00 0.00 H new ATOM 0 HA LYS X 13 21.246 2.184 -22.200 1.00 0.00 H new ATOM 0 HB2 LYS X 13 20.986 5.143 -22.885 1.00 0.00 H new ATOM 0 HB3 LYS X 13 22.286 4.551 -21.870 1.00 0.00 H new ATOM 0 HG2 LYS X 13 23.398 4.261 -23.884 1.00 0.00 H new ATOM 0 HG3 LYS X 13 22.493 2.762 -23.959 1.00 0.00 H new ATOM 0 HD2 LYS X 13 20.600 4.346 -25.054 1.00 0.00 H new ATOM 0 HD3 LYS X 13 21.975 5.366 -25.427 1.00 0.00 H new ATOM 0 HE2 LYS X 13 21.860 3.952 -27.331 1.00 0.00 H new ATOM 0 HE3 LYS X 13 23.092 3.171 -26.360 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 21.531 1.518 -27.042 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 21.286 1.769 -25.381 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 20.207 2.438 -26.510 1.00 0.00 H new ATOM 235 N GLY X 14 20.936 2.770 -19.781 1.00 0.00 N ATOM 236 CA GLY X 14 20.620 2.952 -18.370 1.00 0.00 C ATOM 237 C GLY X 14 21.449 2.000 -17.500 1.00 0.00 C ATOM 238 O GLY X 14 22.525 1.559 -17.904 1.00 0.00 O ATOM 0 H GLY X 14 21.711 2.132 -19.963 1.00 0.00 H new ATOM 0 HA2 GLY X 14 20.818 3.984 -18.078 1.00 0.00 H new ATOM 0 HA3 GLY X 14 19.558 2.772 -18.204 1.00 0.00 H new ATOM 242 N GLU X 15 20.935 1.681 -16.305 1.00 0.00 N ATOM 243 CA GLU X 15 21.620 0.775 -15.382 1.00 0.00 C ATOM 244 C GLU X 15 20.664 -0.309 -14.902 1.00 0.00 C ATOM 245 O GLU X 15 19.447 -0.116 -14.885 1.00 0.00 O ATOM 246 CB GLU X 15 22.136 1.539 -14.165 1.00 0.00 C ATOM 247 CG GLU X 15 22.964 2.738 -14.617 1.00 0.00 C ATOM 248 CD GLU X 15 24.286 2.273 -15.219 1.00 0.00 C ATOM 249 OE1 GLU X 15 24.297 1.959 -16.398 1.00 0.00 O ATOM 250 OE2 GLU X 15 25.267 2.245 -14.495 1.00 0.00 O ATOM 0 H GLU X 15 20.046 2.039 -15.957 1.00 0.00 H new ATOM 0 HA GLU X 15 22.458 0.324 -15.914 1.00 0.00 H new ATOM 0 HB2 GLU X 15 21.298 1.874 -13.553 1.00 0.00 H new ATOM 0 HB3 GLU X 15 22.742 0.881 -13.542 1.00 0.00 H new ATOM 0 HG2 GLU X 15 22.406 3.317 -15.352 1.00 0.00 H new ATOM 0 HG3 GLU X 15 23.154 3.397 -13.770 1.00 0.00 H new ATOM 257 N THR X 16 21.220 -1.450 -14.511 1.00 0.00 N ATOM 258 CA THR X 16 20.409 -2.568 -14.024 1.00 0.00 C ATOM 259 C THR X 16 21.179 -3.350 -12.959 1.00 0.00 C ATOM 260 O THR X 16 22.398 -3.484 -13.043 1.00 0.00 O ATOM 261 CB THR X 16 20.048 -3.490 -15.213 1.00 0.00 C ATOM 262 OG1 THR X 16 20.709 -3.009 -16.371 1.00 0.00 O ATOM 263 CG2 THR X 16 18.537 -3.489 -15.464 1.00 0.00 C ATOM 0 H THR X 16 22.224 -1.628 -14.520 1.00 0.00 H new ATOM 0 HA THR X 16 19.493 -2.186 -13.574 1.00 0.00 H new ATOM 0 HB THR X 16 20.360 -4.508 -14.982 1.00 0.00 H new ATOM 0 HG1 THR X 16 21.675 -2.976 -16.207 1.00 0.00 H new ATOM 0 HG21 THR X 16 18.307 -4.144 -16.304 1.00 0.00 H new ATOM 0 HG22 THR X 16 18.020 -3.846 -14.573 1.00 0.00 H new ATOM 0 HG23 THR X 16 18.207 -2.476 -15.693 1.00 0.00 H new ATOM 271 N THR X 17 20.463 -3.872 -11.966 1.00 0.00 N ATOM 272 CA THR X 17 21.102 -4.652 -10.906 1.00 0.00 C ATOM 273 C THR X 17 20.183 -5.771 -10.418 1.00 0.00 C ATOM 274 O THR X 17 18.963 -5.698 -10.566 1.00 0.00 O ATOM 275 CB THR X 17 21.483 -3.738 -9.732 1.00 0.00 C ATOM 276 OG1 THR X 17 21.908 -2.481 -10.239 1.00 0.00 O ATOM 277 CG2 THR X 17 22.620 -4.373 -8.924 1.00 0.00 C ATOM 0 H THR X 17 19.452 -3.772 -11.872 1.00 0.00 H new ATOM 0 HA THR X 17 22.005 -5.104 -11.316 1.00 0.00 H new ATOM 0 HB THR X 17 20.617 -3.602 -9.084 1.00 0.00 H new ATOM 0 HG1 THR X 17 22.151 -1.893 -9.494 1.00 0.00 H new ATOM 0 HG21 THR X 17 22.885 -3.719 -8.093 1.00 0.00 H new ATOM 0 HG22 THR X 17 22.296 -5.339 -8.537 1.00 0.00 H new ATOM 0 HG23 THR X 17 23.489 -4.513 -9.567 1.00 0.00 H new ATOM 285 N THR X 18 20.785 -6.801 -9.829 1.00 0.00 N ATOM 286 CA THR X 18 20.031 -7.932 -9.310 1.00 0.00 C ATOM 287 C THR X 18 20.821 -8.625 -8.199 1.00 0.00 C ATOM 288 O THR X 18 22.050 -8.580 -8.178 1.00 0.00 O ATOM 289 CB THR X 18 19.722 -8.927 -10.438 1.00 0.00 C ATOM 290 OG1 THR X 18 18.732 -9.844 -9.995 1.00 0.00 O ATOM 291 CG2 THR X 18 20.990 -9.695 -10.827 1.00 0.00 C ATOM 0 H THR X 18 21.794 -6.873 -9.700 1.00 0.00 H new ATOM 0 HA THR X 18 19.090 -7.567 -8.898 1.00 0.00 H new ATOM 0 HB THR X 18 19.358 -8.380 -11.308 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.531 -10.480 -10.713 1.00 0.00 H new ATOM 0 HG21 THR X 18 20.759 -10.398 -11.628 1.00 0.00 H new ATOM 0 HG22 THR X 18 21.750 -8.993 -11.169 1.00 0.00 H new ATOM 0 HG23 THR X 18 21.364 -10.242 -9.961 1.00 0.00 H new ATOM 299 N GLU X 19 20.103 -9.269 -7.284 1.00 0.00 N ATOM 300 CA GLU X 19 20.732 -9.981 -6.165 1.00 0.00 C ATOM 301 C GLU X 19 20.684 -11.489 -6.429 1.00 0.00 C ATOM 302 O GLU X 19 19.629 -12.116 -6.325 1.00 0.00 O ATOM 303 CB GLU X 19 19.971 -9.643 -4.853 1.00 0.00 C ATOM 304 CG GLU X 19 20.802 -8.708 -3.958 1.00 0.00 C ATOM 305 CD GLU X 19 21.839 -9.512 -3.175 1.00 0.00 C ATOM 306 OE1 GLU X 19 22.154 -10.611 -3.603 1.00 0.00 O ATOM 307 OE2 GLU X 19 22.302 -9.017 -2.161 1.00 0.00 O ATOM 0 H GLU X 19 19.084 -9.315 -7.291 1.00 0.00 H new ATOM 0 HA GLU X 19 21.773 -9.672 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU X 19 19.018 -9.171 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU X 19 19.744 -10.562 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU X 19 21.300 -7.955 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU X 19 20.147 -8.176 -3.268 1.00 0.00 H new ATOM 314 N ALA X 20 21.838 -12.062 -6.779 1.00 0.00 N ATOM 315 CA ALA X 20 21.934 -13.498 -7.064 1.00 0.00 C ATOM 316 C ALA X 20 23.094 -14.123 -6.304 1.00 0.00 C ATOM 317 O ALA X 20 24.032 -13.437 -5.899 1.00 0.00 O ATOM 318 CB ALA X 20 22.150 -13.720 -8.565 1.00 0.00 C ATOM 0 H ALA X 20 22.718 -11.556 -6.872 1.00 0.00 H new ATOM 0 HA ALA X 20 21.003 -13.968 -6.747 1.00 0.00 H new ATOM 0 HB1 ALA X 20 22.220 -14.789 -8.768 1.00 0.00 H new ATOM 0 HB2 ALA X 20 21.311 -13.299 -9.119 1.00 0.00 H new ATOM 0 HB3 ALA X 20 23.073 -13.230 -8.876 1.00 0.00 H new ATOM 324 N VAL X 21 23.028 -15.437 -6.130 1.00 0.00 N ATOM 325 CA VAL X 21 24.080 -16.165 -5.437 1.00 0.00 C ATOM 326 C VAL X 21 25.221 -16.447 -6.407 1.00 0.00 C ATOM 327 O VAL X 21 26.395 -16.343 -6.052 1.00 0.00 O ATOM 328 CB VAL X 21 23.515 -17.481 -4.878 1.00 0.00 C ATOM 329 CG1 VAL X 21 22.552 -18.101 -5.892 1.00 0.00 C ATOM 330 CG2 VAL X 21 24.653 -18.470 -4.591 1.00 0.00 C ATOM 0 H VAL X 21 22.257 -16.019 -6.459 1.00 0.00 H new ATOM 0 HA VAL X 21 24.458 -15.567 -4.608 1.00 0.00 H new ATOM 0 HB VAL X 21 22.985 -17.267 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL X 21 22.154 -19.034 -5.492 1.00 0.00 H new ATOM 0 HG12 VAL X 21 21.732 -17.409 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL X 21 23.083 -18.303 -6.822 1.00 0.00 H new ATOM 0 HG21 VAL X 21 24.238 -19.397 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL X 21 25.195 -18.679 -5.513 1.00 0.00 H new ATOM 0 HG23 VAL X 21 25.336 -18.037 -3.860 1.00 0.00 H new ATOM 340 N ASP X 22 24.860 -16.816 -7.635 1.00 0.00 N ATOM 341 CA ASP X 22 25.854 -17.130 -8.667 1.00 0.00 C ATOM 342 C ASP X 22 25.846 -16.084 -9.773 1.00 0.00 C ATOM 343 O ASP X 22 24.857 -15.382 -9.978 1.00 0.00 O ATOM 344 CB ASP X 22 25.560 -18.500 -9.274 1.00 0.00 C ATOM 345 CG ASP X 22 26.716 -18.933 -10.169 1.00 0.00 C ATOM 346 OD1 ASP X 22 27.783 -19.196 -9.640 1.00 0.00 O ATOM 347 OD2 ASP X 22 26.517 -18.995 -11.371 1.00 0.00 O ATOM 0 H ASP X 22 23.891 -16.905 -7.941 1.00 0.00 H new ATOM 0 HA ASP X 22 26.837 -17.134 -8.195 1.00 0.00 H new ATOM 0 HB2 ASP X 22 25.409 -19.233 -8.482 1.00 0.00 H new ATOM 0 HB3 ASP X 22 24.637 -18.460 -9.852 1.00 0.00 H new ATOM 352 N ALA X 23 26.963 -15.990 -10.483 1.00 0.00 N ATOM 353 CA ALA X 23 27.091 -15.032 -11.575 1.00 0.00 C ATOM 354 C ALA X 23 26.312 -15.492 -12.805 1.00 0.00 C ATOM 355 O ALA X 23 25.646 -14.695 -13.464 1.00 0.00 O ATOM 356 CB ALA X 23 28.567 -14.861 -11.939 1.00 0.00 C ATOM 0 H ALA X 23 27.791 -16.563 -10.323 1.00 0.00 H new ATOM 0 HA ALA X 23 26.678 -14.079 -11.243 1.00 0.00 H new ATOM 0 HB1 ALA X 23 28.660 -14.145 -12.755 1.00 0.00 H new ATOM 0 HB2 ALA X 23 29.116 -14.495 -11.071 1.00 0.00 H new ATOM 0 HB3 ALA X 23 28.979 -15.821 -12.250 1.00 0.00 H new ATOM 362 N ALA X 24 26.415 -16.780 -13.118 1.00 0.00 N ATOM 363 CA ALA X 24 25.735 -17.337 -14.287 1.00 0.00 C ATOM 364 C ALA X 24 24.198 -17.297 -14.123 1.00 0.00 C ATOM 365 O ALA X 24 23.487 -16.984 -15.079 1.00 0.00 O ATOM 366 CB ALA X 24 26.192 -18.783 -14.522 1.00 0.00 C ATOM 0 H ALA X 24 26.959 -17.456 -12.583 1.00 0.00 H new ATOM 0 HA ALA X 24 26.000 -16.724 -15.148 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.680 -19.189 -15.394 1.00 0.00 H new ATOM 0 HB2 ALA X 24 27.269 -18.801 -14.692 1.00 0.00 H new ATOM 0 HB3 ALA X 24 25.952 -19.387 -13.647 1.00 0.00 H new ATOM 372 N THR X 25 23.682 -17.619 -12.923 1.00 0.00 N ATOM 373 CA THR X 25 22.235 -17.609 -12.704 1.00 0.00 C ATOM 374 C THR X 25 21.657 -16.215 -12.966 1.00 0.00 C ATOM 375 O THR X 25 20.541 -16.080 -13.469 1.00 0.00 O ATOM 376 CB THR X 25 21.901 -18.085 -11.271 1.00 0.00 C ATOM 377 OG1 THR X 25 20.607 -18.671 -11.268 1.00 0.00 O ATOM 378 CG2 THR X 25 21.928 -16.920 -10.267 1.00 0.00 C ATOM 0 H THR X 25 24.237 -17.883 -12.109 1.00 0.00 H new ATOM 0 HA THR X 25 21.775 -18.302 -13.409 1.00 0.00 H new ATOM 0 HB THR X 25 22.655 -18.812 -10.968 1.00 0.00 H new ATOM 0 HG1 THR X 25 20.389 -18.977 -10.363 1.00 0.00 H new ATOM 0 HG21 THR X 25 21.689 -17.292 -9.271 1.00 0.00 H new ATOM 0 HG22 THR X 25 22.921 -16.471 -10.257 1.00 0.00 H new ATOM 0 HG23 THR X 25 21.193 -16.170 -10.560 1.00 0.00 H new ATOM 386 N ALA X 26 22.422 -15.182 -12.619 1.00 0.00 N ATOM 387 CA ALA X 26 21.979 -13.807 -12.818 1.00 0.00 C ATOM 388 C ALA X 26 21.898 -13.478 -14.304 1.00 0.00 C ATOM 389 O ALA X 26 21.033 -12.718 -14.737 1.00 0.00 O ATOM 390 CB ALA X 26 22.944 -12.840 -12.126 1.00 0.00 C ATOM 0 H ALA X 26 23.348 -15.272 -12.200 1.00 0.00 H new ATOM 0 HA ALA X 26 20.986 -13.699 -12.382 1.00 0.00 H new ATOM 0 HB1 ALA X 26 22.605 -11.815 -12.280 1.00 0.00 H new ATOM 0 HB2 ALA X 26 22.972 -13.056 -11.058 1.00 0.00 H new ATOM 0 HB3 ALA X 26 23.942 -12.959 -12.547 1.00 0.00 H new ATOM 396 N GLU X 27 22.817 -14.047 -15.076 1.00 0.00 N ATOM 397 CA GLU X 27 22.857 -13.801 -16.513 1.00 0.00 C ATOM 398 C GLU X 27 21.527 -14.179 -17.166 1.00 0.00 C ATOM 399 O GLU X 27 21.147 -13.617 -18.191 1.00 0.00 O ATOM 400 CB GLU X 27 24.035 -14.592 -17.148 1.00 0.00 C ATOM 401 CG GLU X 27 23.532 -15.795 -17.971 1.00 0.00 C ATOM 402 CD GLU X 27 24.704 -16.671 -18.394 1.00 0.00 C ATOM 403 OE1 GLU X 27 25.792 -16.459 -17.884 1.00 0.00 O ATOM 404 OE2 GLU X 27 24.498 -17.541 -19.223 1.00 0.00 O ATOM 0 H GLU X 27 23.541 -14.679 -14.733 1.00 0.00 H new ATOM 0 HA GLU X 27 23.017 -12.737 -16.685 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.616 -13.929 -17.789 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.704 -14.942 -16.362 1.00 0.00 H new ATOM 0 HG2 GLU X 27 22.827 -16.379 -17.380 1.00 0.00 H new ATOM 0 HG3 GLU X 27 22.995 -15.443 -18.852 1.00 0.00 H new ATOM 411 N LYS X 28 20.840 -15.150 -16.579 1.00 0.00 N ATOM 412 CA LYS X 28 19.571 -15.606 -17.134 1.00 0.00 C ATOM 413 C LYS X 28 18.595 -14.443 -17.241 1.00 0.00 C ATOM 414 O LYS X 28 17.918 -14.281 -18.256 1.00 0.00 O ATOM 415 CB LYS X 28 18.971 -16.700 -16.247 1.00 0.00 C ATOM 416 CG LYS X 28 19.910 -17.909 -16.213 1.00 0.00 C ATOM 417 CD LYS X 28 19.154 -19.137 -15.685 1.00 0.00 C ATOM 418 CE LYS X 28 18.490 -18.801 -14.336 1.00 0.00 C ATOM 419 NZ LYS X 28 18.061 -20.073 -13.623 1.00 0.00 N ATOM 0 H LYS X 28 21.134 -15.632 -15.730 1.00 0.00 H new ATOM 0 HA LYS X 28 19.753 -16.011 -18.129 1.00 0.00 H new ATOM 0 HB2 LYS X 28 18.816 -16.319 -15.238 1.00 0.00 H new ATOM 0 HB3 LYS X 28 17.994 -16.997 -16.629 1.00 0.00 H new ATOM 0 HG2 LYS X 28 20.296 -18.110 -17.212 1.00 0.00 H new ATOM 0 HG3 LYS X 28 20.769 -17.697 -15.576 1.00 0.00 H new ATOM 0 HD2 LYS X 28 18.398 -19.447 -16.406 1.00 0.00 H new ATOM 0 HD3 LYS X 28 19.841 -19.974 -15.564 1.00 0.00 H new ATOM 0 HE2 LYS X 28 19.186 -18.243 -13.710 1.00 0.00 H new ATOM 0 HE3 LYS X 28 17.624 -18.159 -14.500 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 17.615 -19.829 -12.716 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 17.380 -20.590 -14.215 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 18.894 -20.672 -13.450 1.00 0.00 H new ATOM 433 N VAL X 29 18.537 -13.629 -16.198 1.00 0.00 N ATOM 434 CA VAL X 29 17.652 -12.475 -16.200 1.00 0.00 C ATOM 435 C VAL X 29 18.152 -11.431 -17.191 1.00 0.00 C ATOM 436 O VAL X 29 17.382 -10.889 -17.977 1.00 0.00 O ATOM 437 CB VAL X 29 17.586 -11.866 -14.800 1.00 0.00 C ATOM 438 CG1 VAL X 29 16.489 -10.802 -14.757 1.00 0.00 C ATOM 439 CG2 VAL X 29 17.271 -12.965 -13.782 1.00 0.00 C ATOM 0 H VAL X 29 19.087 -13.744 -15.347 1.00 0.00 H new ATOM 0 HA VAL X 29 16.655 -12.799 -16.498 1.00 0.00 H new ATOM 0 HB VAL X 29 18.545 -11.408 -14.557 1.00 0.00 H new ATOM 0 HG11 VAL X 29 16.442 -10.368 -13.758 1.00 0.00 H new ATOM 0 HG12 VAL X 29 16.712 -10.020 -15.483 1.00 0.00 H new ATOM 0 HG13 VAL X 29 15.529 -11.259 -14.999 1.00 0.00 H new ATOM 0 HG21 VAL X 29 17.224 -12.532 -12.783 1.00 0.00 H new ATOM 0 HG22 VAL X 29 16.312 -13.422 -14.025 1.00 0.00 H new ATOM 0 HG23 VAL X 29 18.053 -13.724 -13.812 1.00 0.00 H new ATOM 449 N PHE X 30 19.453 -11.158 -17.140 1.00 0.00 N ATOM 450 CA PHE X 30 20.071 -10.173 -18.024 1.00 0.00 C ATOM 451 C PHE X 30 19.924 -10.574 -19.491 1.00 0.00 C ATOM 452 O PHE X 30 19.619 -9.733 -20.338 1.00 0.00 O ATOM 453 CB PHE X 30 21.565 -10.058 -17.712 1.00 0.00 C ATOM 454 CG PHE X 30 21.844 -9.526 -16.307 1.00 0.00 C ATOM 455 CD1 PHE X 30 20.814 -9.214 -15.387 1.00 0.00 C ATOM 456 CD2 PHE X 30 23.180 -9.331 -15.930 1.00 0.00 C ATOM 457 CE1 PHE X 30 21.140 -8.719 -14.117 1.00 0.00 C ATOM 458 CE2 PHE X 30 23.494 -8.835 -14.661 1.00 0.00 C ATOM 459 CZ PHE X 30 22.478 -8.529 -13.757 1.00 0.00 C ATOM 0 H PHE X 30 20.102 -11.607 -16.494 1.00 0.00 H new ATOM 0 HA PHE X 30 19.566 -9.221 -17.857 1.00 0.00 H new ATOM 0 HB2 PHE X 30 22.030 -11.038 -17.822 1.00 0.00 H new ATOM 0 HB3 PHE X 30 22.033 -9.399 -18.443 1.00 0.00 H new ATOM 0 HD1 PHE X 30 19.780 -9.357 -15.663 1.00 0.00 H new ATOM 0 HD2 PHE X 30 23.973 -9.566 -16.625 1.00 0.00 H new ATOM 0 HE1 PHE X 30 20.355 -8.483 -13.414 1.00 0.00 H new ATOM 0 HE2 PHE X 30 24.527 -8.689 -14.380 1.00 0.00 H new ATOM 0 HZ PHE X 30 22.724 -8.145 -12.778 1.00 0.00 H new ATOM 469 N LYS X 31 20.147 -11.850 -19.797 1.00 0.00 N ATOM 470 CA LYS X 31 20.038 -12.305 -21.174 1.00 0.00 C ATOM 471 C LYS X 31 18.607 -12.135 -21.690 1.00 0.00 C ATOM 472 O LYS X 31 18.386 -11.579 -22.766 1.00 0.00 O ATOM 473 CB LYS X 31 20.470 -13.781 -21.281 1.00 0.00 C ATOM 474 CG LYS X 31 21.066 -14.068 -22.681 1.00 0.00 C ATOM 475 CD LYS X 31 22.600 -13.904 -22.660 1.00 0.00 C ATOM 476 CE LYS X 31 23.257 -15.205 -22.185 1.00 0.00 C ATOM 477 NZ LYS X 31 24.737 -15.036 -22.169 1.00 0.00 N ATOM 0 H LYS X 31 20.399 -12.572 -19.122 1.00 0.00 H new ATOM 0 HA LYS X 31 20.699 -11.696 -21.790 1.00 0.00 H new ATOM 0 HB2 LYS X 31 21.208 -14.008 -20.511 1.00 0.00 H new ATOM 0 HB3 LYS X 31 19.613 -14.431 -21.103 1.00 0.00 H new ATOM 0 HG2 LYS X 31 20.807 -15.080 -22.992 1.00 0.00 H new ATOM 0 HG3 LYS X 31 20.632 -13.388 -23.414 1.00 0.00 H new ATOM 0 HD2 LYS X 31 22.961 -13.647 -23.656 1.00 0.00 H new ATOM 0 HD3 LYS X 31 22.878 -13.083 -21.999 1.00 0.00 H new ATOM 0 HE2 LYS X 31 22.899 -15.463 -21.188 1.00 0.00 H new ATOM 0 HE3 LYS X 31 22.981 -16.027 -22.846 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 25.184 -15.918 -21.847 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 25.071 -14.809 -23.127 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 24.991 -14.263 -21.522 1.00 0.00 H new ATOM 491 N GLN X 32 17.641 -12.623 -20.917 1.00 0.00 N ATOM 492 CA GLN X 32 16.239 -12.527 -21.307 1.00 0.00 C ATOM 493 C GLN X 32 15.717 -11.099 -21.156 1.00 0.00 C ATOM 494 O GLN X 32 14.875 -10.652 -21.935 1.00 0.00 O ATOM 495 CB GLN X 32 15.402 -13.469 -20.444 1.00 0.00 C ATOM 496 CG GLN X 32 15.820 -14.916 -20.713 1.00 0.00 C ATOM 497 CD GLN X 32 15.383 -15.332 -22.114 1.00 0.00 C ATOM 498 OE1 GLN X 32 14.202 -15.246 -22.449 1.00 0.00 O ATOM 499 NE2 GLN X 32 16.279 -15.787 -22.966 1.00 0.00 N ATOM 0 H GLN X 32 17.802 -13.086 -20.023 1.00 0.00 H new ATOM 0 HA GLN X 32 16.158 -12.811 -22.356 1.00 0.00 H new ATOM 0 HB2 GLN X 32 15.538 -13.230 -19.389 1.00 0.00 H new ATOM 0 HB3 GLN X 32 14.343 -13.338 -20.666 1.00 0.00 H new ATOM 0 HG2 GLN X 32 16.901 -15.015 -20.616 1.00 0.00 H new ATOM 0 HG3 GLN X 32 15.371 -15.577 -19.972 1.00 0.00 H new ATOM 0 HE21 GLN X 32 17.258 -15.858 -22.688 1.00 0.00 H new ATOM 0 HE22 GLN X 32 15.994 -16.068 -23.904 1.00 0.00 H new ATOM 508 N TYR X 33 16.211 -10.391 -20.145 1.00 0.00 N ATOM 509 CA TYR X 33 15.778 -9.025 -19.901 1.00 0.00 C ATOM 510 C TYR X 33 16.119 -8.126 -21.087 1.00 0.00 C ATOM 511 O TYR X 33 15.309 -7.300 -21.501 1.00 0.00 O ATOM 512 CB TYR X 33 16.457 -8.490 -18.637 1.00 0.00 C ATOM 513 CG TYR X 33 16.207 -7.006 -18.518 1.00 0.00 C ATOM 514 CD1 TYR X 33 14.973 -6.540 -18.048 1.00 0.00 C ATOM 515 CD2 TYR X 33 17.209 -6.093 -18.874 1.00 0.00 C ATOM 516 CE1 TYR X 33 14.742 -5.164 -17.932 1.00 0.00 C ATOM 517 CE2 TYR X 33 16.977 -4.718 -18.758 1.00 0.00 C ATOM 518 CZ TYR X 33 15.744 -4.253 -18.287 1.00 0.00 C ATOM 519 OH TYR X 33 15.515 -2.897 -18.174 1.00 0.00 O ATOM 0 H TYR X 33 16.907 -10.740 -19.487 1.00 0.00 H new ATOM 0 HA TYR X 33 14.696 -9.023 -19.767 1.00 0.00 H new ATOM 0 HB2 TYR X 33 16.070 -9.006 -17.758 1.00 0.00 H new ATOM 0 HB3 TYR X 33 17.528 -8.687 -18.676 1.00 0.00 H new ATOM 0 HD1 TYR X 33 14.199 -7.242 -17.775 1.00 0.00 H new ATOM 0 HD2 TYR X 33 18.161 -6.451 -19.238 1.00 0.00 H new ATOM 0 HE1 TYR X 33 13.790 -4.805 -17.568 1.00 0.00 H new ATOM 0 HE2 TYR X 33 17.750 -4.015 -19.032 1.00 0.00 H new ATOM 0 HH TYR X 33 15.814 -2.446 -18.991 1.00 0.00 H new ATOM 529 N ALA X 34 17.325 -8.287 -21.614 1.00 0.00 N ATOM 530 CA ALA X 34 17.769 -7.472 -22.736 1.00 0.00 C ATOM 531 C ALA X 34 16.828 -7.654 -23.936 1.00 0.00 C ATOM 532 O ALA X 34 16.535 -6.696 -24.650 1.00 0.00 O ATOM 533 CB ALA X 34 19.208 -7.860 -23.111 1.00 0.00 C ATOM 0 H ALA X 34 18.009 -8.969 -21.286 1.00 0.00 H new ATOM 0 HA ALA X 34 17.748 -6.421 -22.448 1.00 0.00 H new ATOM 0 HB1 ALA X 34 19.542 -7.251 -23.951 1.00 0.00 H new ATOM 0 HB2 ALA X 34 19.864 -7.692 -22.257 1.00 0.00 H new ATOM 0 HB3 ALA X 34 19.240 -8.913 -23.391 1.00 0.00 H new ATOM 539 N ASN X 35 16.346 -8.882 -24.145 1.00 0.00 N ATOM 540 CA ASN X 35 15.437 -9.145 -25.244 1.00 0.00 C ATOM 541 C ASN X 35 14.138 -8.372 -25.033 1.00 0.00 C ATOM 542 O ASN X 35 13.641 -7.710 -25.944 1.00 0.00 O ATOM 543 CB ASN X 35 15.144 -10.643 -25.326 1.00 0.00 C ATOM 544 CG ASN X 35 14.539 -10.979 -26.687 1.00 0.00 C ATOM 545 OD1 ASN X 35 15.255 -11.408 -27.592 1.00 0.00 O ATOM 546 ND2 ASN X 35 13.254 -10.812 -26.892 1.00 0.00 N ATOM 0 H ASN X 35 16.571 -9.695 -23.571 1.00 0.00 H new ATOM 0 HA ASN X 35 15.898 -8.821 -26.177 1.00 0.00 H new ATOM 0 HB2 ASN X 35 16.062 -11.211 -25.176 1.00 0.00 H new ATOM 0 HB3 ASN X 35 14.457 -10.932 -24.531 1.00 0.00 H new ATOM 0 HD21 ASN X 35 12.849 -11.038 -27.801 1.00 0.00 H new ATOM 0 HD22 ASN X 35 12.660 -10.457 -26.143 1.00 0.00 H new ATOM 553 N ASP X 36 13.600 -8.455 -23.818 1.00 0.00 N ATOM 554 CA ASP X 36 12.365 -7.757 -23.484 1.00 0.00 C ATOM 555 C ASP X 36 12.579 -6.245 -23.503 1.00 0.00 C ATOM 556 O ASP X 36 11.637 -5.480 -23.714 1.00 0.00 O ATOM 557 CB ASP X 36 11.885 -8.192 -22.097 1.00 0.00 C ATOM 558 CG ASP X 36 12.101 -9.690 -21.926 1.00 0.00 C ATOM 559 OD1 ASP X 36 12.114 -10.386 -22.930 1.00 0.00 O ATOM 560 OD2 ASP X 36 12.248 -10.123 -20.795 1.00 0.00 O ATOM 0 H ASP X 36 14.000 -8.997 -23.052 1.00 0.00 H new ATOM 0 HA ASP X 36 11.610 -8.011 -24.228 1.00 0.00 H new ATOM 0 HB2 ASP X 36 12.428 -7.646 -21.326 1.00 0.00 H new ATOM 0 HB3 ASP X 36 10.829 -7.951 -21.975 1.00 0.00 H new ATOM 565 N ASN X 37 13.820 -5.818 -23.270 1.00 0.00 N ATOM 566 CA ASN X 37 14.135 -4.395 -23.249 1.00 0.00 C ATOM 567 C ASN X 37 14.386 -3.871 -24.670 1.00 0.00 C ATOM 568 O ASN X 37 14.159 -2.694 -24.950 1.00 0.00 O ATOM 569 CB ASN X 37 15.379 -4.182 -22.359 1.00 0.00 C ATOM 570 CG ASN X 37 14.991 -3.570 -21.015 1.00 0.00 C ATOM 571 OD1 ASN X 37 15.604 -2.493 -20.600 1.00 0.00 O flip ATOM 572 ND2 ASN X 37 14.108 -4.084 -20.328 1.00 0.00 N flip ATOM 0 H ASN X 37 14.615 -6.433 -23.095 1.00 0.00 H new ATOM 0 HA ASN X 37 13.291 -3.838 -22.841 1.00 0.00 H new ATOM 0 HB2 ASN X 37 15.882 -5.135 -22.197 1.00 0.00 H new ATOM 0 HB3 ASN X 37 16.088 -3.530 -22.869 1.00 0.00 H new ATOM 0 HD21 ASN X 37 13.632 -4.925 -20.655 1.00 0.00 H new ATOM 0 HD22 ASN X 37 13.853 -3.669 -19.432 1.00 0.00 H new ATOM 579 N GLY X 38 14.824 -4.754 -25.570 1.00 0.00 N ATOM 580 CA GLY X 38 15.069 -4.371 -26.966 1.00 0.00 C ATOM 581 C GLY X 38 16.556 -4.412 -27.329 1.00 0.00 C ATOM 582 O GLY X 38 16.913 -4.808 -28.439 1.00 0.00 O ATOM 0 H GLY X 38 15.016 -5.734 -25.361 1.00 0.00 H new ATOM 0 HA2 GLY X 38 14.518 -5.041 -27.626 1.00 0.00 H new ATOM 0 HA3 GLY X 38 14.683 -3.366 -27.137 1.00 0.00 H new ATOM 586 N VAL X 39 17.424 -3.981 -26.412 1.00 0.00 N ATOM 587 CA VAL X 39 18.861 -3.963 -26.692 1.00 0.00 C ATOM 588 C VAL X 39 19.481 -5.352 -26.500 1.00 0.00 C ATOM 589 O VAL X 39 19.629 -5.831 -25.381 1.00 0.00 O ATOM 590 CB VAL X 39 19.550 -2.917 -25.790 1.00 0.00 C ATOM 591 CG1 VAL X 39 19.020 -3.016 -24.360 1.00 0.00 C ATOM 592 CG2 VAL X 39 21.067 -3.131 -25.776 1.00 0.00 C ATOM 0 H VAL X 39 17.164 -3.645 -25.485 1.00 0.00 H new ATOM 0 HA VAL X 39 19.012 -3.684 -27.735 1.00 0.00 H new ATOM 0 HB VAL X 39 19.329 -1.929 -26.194 1.00 0.00 H new ATOM 0 HG11 VAL X 39 19.515 -2.272 -23.736 1.00 0.00 H new ATOM 0 HG12 VAL X 39 17.945 -2.835 -24.357 1.00 0.00 H new ATOM 0 HG13 VAL X 39 19.221 -4.012 -23.966 1.00 0.00 H new ATOM 0 HG21 VAL X 39 21.534 -2.384 -25.135 1.00 0.00 H new ATOM 0 HG22 VAL X 39 21.290 -4.127 -25.394 1.00 0.00 H new ATOM 0 HG23 VAL X 39 21.457 -3.035 -26.789 1.00 0.00 H new ATOM 602 N ASP X 40 19.854 -5.986 -27.613 1.00 0.00 N ATOM 603 CA ASP X 40 20.477 -7.319 -27.580 1.00 0.00 C ATOM 604 C ASP X 40 21.785 -7.299 -28.379 1.00 0.00 C ATOM 605 O ASP X 40 21.758 -7.144 -29.599 1.00 0.00 O ATOM 606 CB ASP X 40 19.512 -8.353 -28.182 1.00 0.00 C ATOM 607 CG ASP X 40 19.882 -9.763 -27.725 1.00 0.00 C ATOM 608 OD1 ASP X 40 19.877 -9.997 -26.527 1.00 0.00 O ATOM 609 OD2 ASP X 40 20.164 -10.587 -28.579 1.00 0.00 O ATOM 0 H ASP X 40 19.737 -5.601 -28.551 1.00 0.00 H new ATOM 0 HA ASP X 40 20.695 -7.591 -26.547 1.00 0.00 H new ATOM 0 HB2 ASP X 40 18.490 -8.124 -27.880 1.00 0.00 H new ATOM 0 HB3 ASP X 40 19.543 -8.297 -29.270 1.00 0.00 H new ATOM 614 N GLY X 41 22.935 -7.447 -27.701 1.00 0.00 N ATOM 615 CA GLY X 41 24.222 -7.424 -28.409 1.00 0.00 C ATOM 616 C GLY X 41 25.229 -8.417 -27.817 1.00 0.00 C ATOM 617 O GLY X 41 24.845 -9.425 -27.224 1.00 0.00 O ATOM 0 H GLY X 41 23.000 -7.580 -26.692 1.00 0.00 H new ATOM 0 HA2 GLY X 41 24.060 -7.658 -29.461 1.00 0.00 H new ATOM 0 HA3 GLY X 41 24.639 -6.418 -28.367 1.00 0.00 H new ATOM 621 N GLU X 42 26.526 -8.120 -27.988 1.00 0.00 N ATOM 622 CA GLU X 42 27.568 -8.982 -27.476 1.00 0.00 C ATOM 623 C GLU X 42 27.669 -8.824 -25.966 1.00 0.00 C ATOM 624 O GLU X 42 27.549 -7.720 -25.442 1.00 0.00 O ATOM 625 CB GLU X 42 28.908 -8.638 -28.135 1.00 0.00 C ATOM 626 CG GLU X 42 28.681 -8.328 -29.615 1.00 0.00 C ATOM 627 CD GLU X 42 27.951 -9.489 -30.284 1.00 0.00 C ATOM 628 OE1 GLU X 42 28.540 -10.551 -30.390 1.00 0.00 O ATOM 629 OE2 GLU X 42 26.815 -9.296 -30.684 1.00 0.00 O ATOM 0 H GLU X 42 26.864 -7.291 -28.476 1.00 0.00 H new ATOM 0 HA GLU X 42 27.321 -10.018 -27.709 1.00 0.00 H new ATOM 0 HB2 GLU X 42 29.361 -7.780 -27.638 1.00 0.00 H new ATOM 0 HB3 GLU X 42 29.603 -9.471 -28.029 1.00 0.00 H new ATOM 0 HG2 GLU X 42 28.098 -7.413 -29.718 1.00 0.00 H new ATOM 0 HG3 GLU X 42 29.637 -8.155 -30.110 1.00 0.00 H new ATOM 636 N TRP X 43 27.856 -9.942 -25.271 1.00 0.00 N ATOM 637 CA TRP X 43 27.928 -9.934 -23.811 1.00 0.00 C ATOM 638 C TRP X 43 29.351 -10.055 -23.294 1.00 0.00 C ATOM 639 O TRP X 43 30.266 -10.477 -24.003 1.00 0.00 O ATOM 640 CB TRP X 43 27.103 -11.096 -23.265 1.00 0.00 C ATOM 641 CG TRP X 43 25.654 -10.835 -23.518 1.00 0.00 C ATOM 642 CD1 TRP X 43 24.978 -11.175 -24.643 1.00 0.00 C ATOM 643 CD2 TRP X 43 24.696 -10.178 -22.650 1.00 0.00 C ATOM 644 NE1 TRP X 43 23.666 -10.758 -24.516 1.00 0.00 N ATOM 645 CE2 TRP X 43 23.442 -10.146 -23.303 1.00 0.00 C ATOM 646 CE3 TRP X 43 24.793 -9.613 -21.370 1.00 0.00 C ATOM 647 CZ2 TRP X 43 22.325 -9.574 -22.708 1.00 0.00 C ATOM 648 CZ3 TRP X 43 23.670 -9.037 -20.765 1.00 0.00 C ATOM 649 CH2 TRP X 43 22.436 -9.017 -21.434 1.00 0.00 C ATOM 0 H TRP X 43 27.960 -10.865 -25.693 1.00 0.00 H new ATOM 0 HA TRP X 43 27.535 -8.976 -23.471 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.405 -12.028 -23.743 1.00 0.00 H new ATOM 0 HB3 TRP X 43 27.282 -11.213 -22.196 1.00 0.00 H new ATOM 0 HD1 TRP X 43 25.396 -11.687 -25.497 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.952 -10.888 -25.233 1.00 0.00 H new ATOM 0 HE3 TRP X 43 25.739 -9.622 -20.849 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 21.378 -9.561 -23.227 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 23.753 -8.606 -19.778 1.00 0.00 H new ATOM 0 HH2 TRP X 43 21.573 -8.571 -20.962 1.00 0.00 H new ATOM 660 N THR X 44 29.506 -9.689 -22.030 1.00 0.00 N ATOM 661 CA THR X 44 30.790 -9.748 -21.346 1.00 0.00 C ATOM 662 C THR X 44 30.543 -9.827 -19.839 1.00 0.00 C ATOM 663 O THR X 44 29.419 -9.605 -19.389 1.00 0.00 O ATOM 664 CB THR X 44 31.624 -8.504 -21.680 1.00 0.00 C ATOM 665 OG1 THR X 44 32.786 -8.486 -20.862 1.00 0.00 O ATOM 666 CG2 THR X 44 30.803 -7.233 -21.427 1.00 0.00 C ATOM 0 H THR X 44 28.743 -9.342 -21.448 1.00 0.00 H new ATOM 0 HA THR X 44 31.341 -10.629 -21.675 1.00 0.00 H new ATOM 0 HB THR X 44 31.910 -8.537 -22.731 1.00 0.00 H new ATOM 0 HG1 THR X 44 33.323 -7.694 -21.073 1.00 0.00 H new ATOM 0 HG21 THR X 44 31.405 -6.357 -21.667 1.00 0.00 H new ATOM 0 HG22 THR X 44 29.912 -7.244 -22.055 1.00 0.00 H new ATOM 0 HG23 THR X 44 30.507 -7.193 -20.379 1.00 0.00 H new ATOM 674 N TYR X 45 31.572 -10.135 -19.055 1.00 0.00 N ATOM 675 CA TYR X 45 31.382 -10.221 -17.614 1.00 0.00 C ATOM 676 C TYR X 45 32.702 -10.411 -16.881 1.00 0.00 C ATOM 677 O TYR X 45 33.521 -11.253 -17.249 1.00 0.00 O ATOM 678 CB TYR X 45 30.438 -11.388 -17.291 1.00 0.00 C ATOM 679 CG TYR X 45 30.465 -11.703 -15.804 1.00 0.00 C ATOM 680 CD1 TYR X 45 30.166 -10.707 -14.869 1.00 0.00 C ATOM 681 CD2 TYR X 45 30.781 -12.998 -15.369 1.00 0.00 C ATOM 682 CE1 TYR X 45 30.181 -11.006 -13.501 1.00 0.00 C ATOM 683 CE2 TYR X 45 30.798 -13.295 -14.003 1.00 0.00 C ATOM 684 CZ TYR X 45 30.498 -12.299 -13.069 1.00 0.00 C ATOM 685 OH TYR X 45 30.510 -12.595 -11.721 1.00 0.00 O ATOM 0 H TYR X 45 32.519 -10.324 -19.382 1.00 0.00 H new ATOM 0 HA TYR X 45 30.946 -9.281 -17.275 1.00 0.00 H new ATOM 0 HB2 TYR X 45 29.422 -11.136 -17.596 1.00 0.00 H new ATOM 0 HB3 TYR X 45 30.733 -12.270 -17.860 1.00 0.00 H new ATOM 0 HD1 TYR X 45 29.924 -9.708 -15.202 1.00 0.00 H new ATOM 0 HD2 TYR X 45 31.012 -13.768 -16.091 1.00 0.00 H new ATOM 0 HE1 TYR X 45 29.948 -10.238 -12.778 1.00 0.00 H new ATOM 0 HE2 TYR X 45 31.043 -14.293 -13.670 1.00 0.00 H new ATOM 0 HH TYR X 45 31.175 -13.293 -11.545 1.00 0.00 H new ATOM 695 N ASP X 46 32.872 -9.641 -15.809 1.00 0.00 N ATOM 696 CA ASP X 46 34.059 -9.734 -14.974 1.00 0.00 C ATOM 697 C ASP X 46 33.624 -10.017 -13.530 1.00 0.00 C ATOM 698 O ASP X 46 33.006 -9.168 -12.886 1.00 0.00 O ATOM 699 CB ASP X 46 34.858 -8.427 -15.042 1.00 0.00 C ATOM 700 CG ASP X 46 35.942 -8.440 -13.972 1.00 0.00 C ATOM 701 OD1 ASP X 46 36.378 -9.520 -13.611 1.00 0.00 O ATOM 702 OD2 ASP X 46 36.320 -7.368 -13.528 1.00 0.00 O ATOM 0 H ASP X 46 32.196 -8.943 -15.500 1.00 0.00 H new ATOM 0 HA ASP X 46 34.698 -10.542 -15.330 1.00 0.00 H new ATOM 0 HB2 ASP X 46 35.307 -8.313 -16.029 1.00 0.00 H new ATOM 0 HB3 ASP X 46 34.195 -7.575 -14.893 1.00 0.00 H new ATOM 707 N ASP X 47 33.939 -11.213 -13.027 1.00 0.00 N ATOM 708 CA ASP X 47 33.562 -11.582 -11.668 1.00 0.00 C ATOM 709 C ASP X 47 34.342 -10.765 -10.644 1.00 0.00 C ATOM 710 O ASP X 47 33.975 -10.709 -9.470 1.00 0.00 O ATOM 711 CB ASP X 47 33.821 -13.071 -11.439 1.00 0.00 C ATOM 712 CG ASP X 47 33.331 -13.480 -10.053 1.00 0.00 C ATOM 713 OD1 ASP X 47 34.071 -13.280 -9.104 1.00 0.00 O ATOM 714 OD2 ASP X 47 32.225 -13.988 -9.963 1.00 0.00 O ATOM 0 H ASP X 47 34.449 -11.934 -13.538 1.00 0.00 H new ATOM 0 HA ASP X 47 32.500 -11.373 -11.543 1.00 0.00 H new ATOM 0 HB2 ASP X 47 33.311 -13.659 -12.202 1.00 0.00 H new ATOM 0 HB3 ASP X 47 34.886 -13.282 -11.534 1.00 0.00 H new ATOM 719 N ALA X 48 35.424 -10.138 -11.091 1.00 0.00 N ATOM 720 CA ALA X 48 36.249 -9.331 -10.201 1.00 0.00 C ATOM 721 C ALA X 48 35.619 -7.956 -9.961 1.00 0.00 C ATOM 722 O ALA X 48 36.030 -7.230 -9.055 1.00 0.00 O ATOM 723 CB ALA X 48 37.644 -9.156 -10.802 1.00 0.00 C ATOM 0 H ALA X 48 35.749 -10.172 -12.057 1.00 0.00 H new ATOM 0 HA ALA X 48 36.323 -9.849 -9.245 1.00 0.00 H new ATOM 0 HB1 ALA X 48 38.256 -8.552 -10.132 1.00 0.00 H new ATOM 0 HB2 ALA X 48 38.108 -10.133 -10.935 1.00 0.00 H new ATOM 0 HB3 ALA X 48 37.564 -8.658 -11.768 1.00 0.00 H new ATOM 729 N THR X 49 34.618 -7.595 -10.777 1.00 0.00 N ATOM 730 CA THR X 49 33.945 -6.297 -10.640 1.00 0.00 C ATOM 731 C THR X 49 32.427 -6.485 -10.565 1.00 0.00 C ATOM 732 O THR X 49 31.681 -5.508 -10.501 1.00 0.00 O ATOM 733 CB THR X 49 34.299 -5.385 -11.835 1.00 0.00 C ATOM 734 OG1 THR X 49 34.339 -6.163 -13.022 1.00 0.00 O ATOM 735 CG2 THR X 49 35.663 -4.727 -11.613 1.00 0.00 C ATOM 0 H THR X 49 34.259 -8.179 -11.533 1.00 0.00 H new ATOM 0 HA THR X 49 34.287 -5.828 -9.718 1.00 0.00 H new ATOM 0 HB THR X 49 33.541 -4.607 -11.926 1.00 0.00 H new ATOM 0 HG1 THR X 49 35.272 -6.334 -13.269 1.00 0.00 H new ATOM 0 HG21 THR X 49 35.901 -4.087 -12.463 1.00 0.00 H new ATOM 0 HG22 THR X 49 35.634 -4.127 -10.703 1.00 0.00 H new ATOM 0 HG23 THR X 49 36.427 -5.498 -11.515 1.00 0.00 H new ATOM 743 N LYS X 50 31.970 -7.743 -10.570 1.00 0.00 N ATOM 744 CA LYS X 50 30.539 -8.021 -10.501 1.00 0.00 C ATOM 745 C LYS X 50 29.759 -7.048 -11.390 1.00 0.00 C ATOM 746 O LYS X 50 28.885 -6.326 -10.908 1.00 0.00 O ATOM 747 CB LYS X 50 30.044 -7.886 -9.052 1.00 0.00 C ATOM 748 CG LYS X 50 31.018 -8.569 -8.081 1.00 0.00 C ATOM 749 CD LYS X 50 30.961 -10.086 -8.273 1.00 0.00 C ATOM 750 CE LYS X 50 31.743 -10.775 -7.155 1.00 0.00 C ATOM 751 NZ LYS X 50 31.517 -12.247 -7.228 1.00 0.00 N ATOM 0 H LYS X 50 32.564 -8.571 -10.620 1.00 0.00 H new ATOM 0 HA LYS X 50 30.373 -9.039 -10.852 1.00 0.00 H new ATOM 0 HB2 LYS X 50 29.944 -6.832 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS X 50 29.054 -8.333 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS X 50 32.032 -8.209 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS X 50 30.761 -8.313 -7.053 1.00 0.00 H new ATOM 0 HD2 LYS X 50 29.925 -10.425 -8.268 1.00 0.00 H new ATOM 0 HD3 LYS X 50 31.379 -10.356 -9.243 1.00 0.00 H new ATOM 0 HE2 LYS X 50 32.806 -10.554 -7.250 1.00 0.00 H new ATOM 0 HE3 LYS X 50 31.424 -10.394 -6.185 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 32.239 -12.738 -6.662 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 30.573 -12.472 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 31.582 -12.559 -8.218 1.00 0.00 H new ATOM 765 N THR X 51 30.086 -7.017 -12.687 1.00 0.00 N ATOM 766 CA THR X 51 29.402 -6.104 -13.617 1.00 0.00 C ATOM 767 C THR X 51 29.278 -6.707 -15.024 1.00 0.00 C ATOM 768 O THR X 51 30.269 -7.146 -15.610 1.00 0.00 O ATOM 769 CB THR X 51 30.180 -4.780 -13.698 1.00 0.00 C ATOM 770 OG1 THR X 51 30.227 -4.182 -12.411 1.00 0.00 O ATOM 771 CG2 THR X 51 29.482 -3.829 -14.679 1.00 0.00 C ATOM 0 H THR X 51 30.806 -7.601 -13.113 1.00 0.00 H new ATOM 0 HA THR X 51 28.395 -5.932 -13.236 1.00 0.00 H new ATOM 0 HB THR X 51 31.194 -4.977 -14.047 1.00 0.00 H new ATOM 0 HG1 THR X 51 30.880 -4.655 -11.854 1.00 0.00 H new ATOM 0 HG21 THR X 51 30.036 -2.892 -14.734 1.00 0.00 H new ATOM 0 HG22 THR X 51 29.446 -4.288 -15.667 1.00 0.00 H new ATOM 0 HG23 THR X 51 28.467 -3.631 -14.334 1.00 0.00 H new ATOM 779 N PHE X 52 28.051 -6.701 -15.574 1.00 0.00 N ATOM 780 CA PHE X 52 27.801 -7.217 -16.913 1.00 0.00 C ATOM 781 C PHE X 52 27.528 -6.057 -17.860 1.00 0.00 C ATOM 782 O PHE X 52 27.093 -4.993 -17.424 1.00 0.00 O ATOM 783 CB PHE X 52 26.574 -8.126 -16.889 1.00 0.00 C ATOM 784 CG PHE X 52 26.900 -9.410 -16.172 1.00 0.00 C ATOM 785 CD1 PHE X 52 27.109 -9.405 -14.789 1.00 0.00 C ATOM 786 CD2 PHE X 52 26.982 -10.613 -16.888 1.00 0.00 C ATOM 787 CE1 PHE X 52 27.401 -10.601 -14.122 1.00 0.00 C ATOM 788 CE2 PHE X 52 27.275 -11.807 -16.222 1.00 0.00 C ATOM 789 CZ PHE X 52 27.484 -11.802 -14.838 1.00 0.00 C ATOM 0 H PHE X 52 27.221 -6.341 -15.103 1.00 0.00 H new ATOM 0 HA PHE X 52 28.673 -7.777 -17.249 1.00 0.00 H new ATOM 0 HB2 PHE X 52 25.747 -7.621 -16.391 1.00 0.00 H new ATOM 0 HB3 PHE X 52 26.250 -8.340 -17.907 1.00 0.00 H new ATOM 0 HD1 PHE X 52 27.045 -8.479 -14.236 1.00 0.00 H new ATOM 0 HD2 PHE X 52 26.819 -10.617 -17.956 1.00 0.00 H new ATOM 0 HE1 PHE X 52 27.562 -10.597 -13.054 1.00 0.00 H new ATOM 0 HE2 PHE X 52 27.340 -12.732 -16.775 1.00 0.00 H new ATOM 0 HZ PHE X 52 27.709 -12.724 -14.322 1.00 0.00 H new ATOM 799 N THR X 53 27.756 -6.261 -19.156 1.00 0.00 N ATOM 800 CA THR X 53 27.495 -5.209 -20.139 1.00 0.00 C ATOM 801 C THR X 53 27.163 -5.838 -21.495 1.00 0.00 C ATOM 802 O THR X 53 27.914 -6.677 -21.988 1.00 0.00 O ATOM 803 CB THR X 53 28.703 -4.268 -20.309 1.00 0.00 C ATOM 804 OG1 THR X 53 29.691 -4.907 -21.097 1.00 0.00 O ATOM 805 CG2 THR X 53 29.305 -3.886 -18.949 1.00 0.00 C ATOM 0 H THR X 53 28.116 -7.132 -19.547 1.00 0.00 H new ATOM 0 HA THR X 53 26.652 -4.623 -19.773 1.00 0.00 H new ATOM 0 HB THR X 53 28.361 -3.358 -20.801 1.00 0.00 H new ATOM 0 HG1 THR X 53 30.459 -4.309 -21.207 1.00 0.00 H new ATOM 0 HG21 THR X 53 30.156 -3.222 -19.101 1.00 0.00 H new ATOM 0 HG22 THR X 53 28.551 -3.378 -18.347 1.00 0.00 H new ATOM 0 HG23 THR X 53 29.636 -4.787 -18.432 1.00 0.00 H new ATOM 813 N VAL X 54 26.043 -5.420 -22.110 1.00 0.00 N ATOM 814 CA VAL X 54 25.657 -5.948 -23.428 1.00 0.00 C ATOM 815 C VAL X 54 25.759 -4.829 -24.469 1.00 0.00 C ATOM 816 O VAL X 54 25.175 -3.758 -24.300 1.00 0.00 O ATOM 817 CB VAL X 54 24.228 -6.506 -23.371 1.00 0.00 C ATOM 818 CG1 VAL X 54 23.237 -5.358 -23.158 1.00 0.00 C ATOM 819 CG2 VAL X 54 23.898 -7.243 -24.683 1.00 0.00 C ATOM 0 H VAL X 54 25.399 -4.730 -21.723 1.00 0.00 H new ATOM 0 HA VAL X 54 26.329 -6.758 -23.711 1.00 0.00 H new ATOM 0 HB VAL X 54 24.151 -7.209 -22.541 1.00 0.00 H new ATOM 0 HG11 VAL X 54 22.223 -5.756 -23.118 1.00 0.00 H new ATOM 0 HG12 VAL X 54 23.465 -4.850 -22.221 1.00 0.00 H new ATOM 0 HG13 VAL X 54 23.317 -4.651 -23.983 1.00 0.00 H new ATOM 0 HG21 VAL X 54 22.882 -7.636 -24.634 1.00 0.00 H new ATOM 0 HG22 VAL X 54 23.979 -6.550 -25.520 1.00 0.00 H new ATOM 0 HG23 VAL X 54 24.599 -8.066 -24.824 1.00 0.00 H new ATOM 829 N THR X 55 26.543 -5.067 -25.530 1.00 0.00 N ATOM 830 CA THR X 55 26.759 -4.056 -26.581 1.00 0.00 C ATOM 831 C THR X 55 26.408 -4.601 -27.975 1.00 0.00 C ATOM 832 O THR X 55 26.963 -5.610 -28.410 1.00 0.00 O ATOM 833 CB THR X 55 28.230 -3.582 -26.548 1.00 0.00 C ATOM 834 OG1 THR X 55 28.328 -2.319 -27.192 1.00 0.00 O ATOM 835 CG2 THR X 55 29.146 -4.587 -27.262 1.00 0.00 C ATOM 0 H THR X 55 27.037 -5.946 -25.685 1.00 0.00 H new ATOM 0 HA THR X 55 26.097 -3.213 -26.383 1.00 0.00 H new ATOM 0 HB THR X 55 28.547 -3.502 -25.508 1.00 0.00 H new ATOM 0 HG1 THR X 55 29.259 -2.013 -27.172 1.00 0.00 H new ATOM 0 HG21 THR X 55 30.176 -4.231 -27.225 1.00 0.00 H new ATOM 0 HG22 THR X 55 29.079 -5.556 -26.767 1.00 0.00 H new ATOM 0 HG23 THR X 55 28.834 -4.689 -28.302 1.00 0.00 H new ATOM 843 N GLU X 56 25.489 -3.915 -28.675 1.00 0.00 N ATOM 844 CA GLU X 56 25.078 -4.324 -30.022 1.00 0.00 C ATOM 845 C GLU X 56 25.657 -3.364 -31.061 1.00 0.00 C ATOM 846 O GLU X 56 25.897 -2.220 -30.713 1.00 0.00 O ATOM 847 CB GLU X 56 23.543 -4.333 -30.120 1.00 0.00 C ATOM 848 CG GLU X 56 22.968 -3.189 -29.285 1.00 0.00 C ATOM 849 CD GLU X 56 21.447 -3.170 -29.399 1.00 0.00 C ATOM 850 OE1 GLU X 56 20.909 -4.073 -30.018 1.00 0.00 O ATOM 851 OE2 GLU X 56 20.843 -2.254 -28.867 1.00 0.00 O ATOM 852 OXT GLU X 56 25.851 -3.789 -32.188 1.00 0.00 O ATOM 0 H GLU X 56 25.020 -3.078 -28.329 1.00 0.00 H new ATOM 0 HA GLU X 56 25.456 -5.328 -30.217 1.00 0.00 H new ATOM 0 HB2 GLU X 56 23.235 -4.228 -31.160 1.00 0.00 H new ATOM 0 HB3 GLU X 56 23.152 -5.287 -29.766 1.00 0.00 H new ATOM 0 HG2 GLU X 56 23.261 -3.307 -28.242 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.378 -2.238 -29.625 1.00 0.00 H new TER 859 GLU X 56